SYUA_PANPA Loading...

Alpha-synuclein

Neuronal protein that plays several roles in synaptic activity such as regulation of synaptic vesicle trafficking and subsequent neurotransmitter release (By similarity). Participates as a monomer in synaptic vesicle exocytosis by enhancing vesicle priming, fusion and dilation of exocytotic fusion pores (By similarity). Mechanistically, acts by increasing local Ca(2+) release from microdomains which is essential for the enhancement of ATP-induced exocytosis (By similarity). Also acts as a molecular chaperone in its multimeric membrane-bound state, assisting in the folding of synaptic fusion components called SNAREs (Soluble NSF Attachment Protein REceptors) at presynaptic plasma membrane in conjunction with cysteine string protein-alpha/DNAJC5 (By similarity). This chaperone activity is important to sustain normal SNARE-complex assembly during aging (By similarity). Also plays a role in the regulation of the dopamine neurotransmission by associating with the dopamine transporter (DAT1) and thereby modulating its activity (By similarity).

AlphaFold DB (P61140), UniProt , Accession P61144, Species PANPA (Pan paniscus, Pygmy chimpanzee), Gene SNCA, Length 140 aa.

						>SYUA_PANPA|P61144|SNCA
MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
					

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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	76.8	Confident	84.9	Confident	192 Å²	192	116.6 Å²	116.6	95%	0.946	62%	0.62	S	S	*	*				0	-26.6	0	-83.6	-179.6	173.3	0	112.5	V3 F4 M5	M1-V3 PolarHBondContact O-N 3.26Å; M1-F4 PolarHBondContact O-N 3.46Å; M1-M5 PolarHBondContact O-N 2.84Å
2	D	84.9	Confident	85.3	Confident	131 Å²	131	117.8 Å²	117.8	70%	0.701	62%	0.616	S	S	*	*	H	α-helix	trans	-63.4	-33.6	-170.3	-49.4	-63.7	0	0	115.1	F4 M5 K6	D2-F4 VanDerWaalsContact C-N 3.34Å; D2-F4 PolarHBondContact O-N 3.2Å; D2-M5 PolarHBondContact O-N 3.36Å; D2-K6 VanDerWaalsContact O-CB 3.32Å; D2-K6 WeakPolarHBondContact O-CB 3.46Å; D2-K6 PolarHBondContact O-N 2.88Å
3	V	82.6	Confident	85.4	Confident	126 Å²	126	118.8 Å²	118.8	76%	0.764	62%	0.616	S	S	*	*	H	α-helix	trans	-63.5	-40.4	178.2	-176.7	0	0	0	111.3	M1 K6 G7	M1-V3 PolarHBondContact O-N 3.26Å; V3-K6 PolarHBondContact O-N 3.46Å; V3-G7 PolarHBondContact O-N 2.94Å
4	F	82.4	Confident	85.7	Confident	178 Å²	178	113.4 Å²	113.4	78%	0.781	60%	0.603	S	S	*	*	H	α-helix	trans	-66.6	-43.4	175.7	-71.6	-72.9	0	0	111.6	M1 D2 K6 G7 L8	M1-F4 PolarHBondContact O-N 3.46Å; D2-F4 VanDerWaalsContact C-N 3.34Å; D2-F4 PolarHBondContact O-N 3.2Å; F4-K6 VanDerWaalsContact C-N 3.33Å; F4-K6 PolarHBondContact O-N 3.29Å; F4-G7 PolarHBondContact O-N 3.31Å; F4-L8 WeakPolarHBondContact O-CB 3.46Å; F4-L8 PolarHBondContact O-N 3.3Å
5	M	86.5	Confident	86	Confident	121 Å²	121	112.7 Å²	112.7	60%	0.596	60%	0.604	S	S	*	*	H	α-helix	trans	-62.3	-41.5	176.1	-69.5	-60.1	-166.1	0	111.5	M1 D2 G7 L8 S9	M1-M5 PolarHBondContact O-N 2.84Å; D2-M5 PolarHBondContact O-N 3.36Å; M5-G7 PolarHBondContact O-N 2.92Å; M5-L8 PolarHBondContact O-N 3.43Å; M5-S9 PolarHBondContact O-N 3.17Å; M5-S9 PolarHBondContact O-OG 2.93Å
6	K	83.9	Confident	86.4	Confident	144 Å²	144	111.3 Å²	111.3	63%	0.626	60%	0.601	S	S	*	*	H	α-helix	trans	-64.6	-39.4	175.9	-166.2	169.9	-173.6	166.1	112.2	D2 V3 F4 K10	D2-K6 VanDerWaalsContact O-CB 3.32Å; D2-K6 WeakPolarHBondContact O-CB 3.46Å; D2-K6 PolarHBondContact O-N 2.88Å; V3-K6 PolarHBondContact O-N 3.46Å; F4-K6 VanDerWaalsContact C-N 3.33Å; F4-K6 PolarHBondContact O-N 3.29Å; K6-K10 WeakPolarHBondContact O-CG 3.49Å; K6-K10 PolarHBondContact O-N 3.41Å; K6-K10 VanDerWaalsContact O-N 3.12Å
7	G	87.6	Confident	86.6	Confident	41 Å²	41	108.4 Å²	108.4	42%	0.423	60%	0.595	S	S	.	*	H	α-helix	trans	-64.8	-44.2	174.4	0	0	0	0	112.6	V3 F4 M5 K10 A11	V3-G7 PolarHBondContact O-N 2.94Å; F4-G7 PolarHBondContact O-N 3.31Å; M5-G7 PolarHBondContact O-N 2.92Å; G7-K10 PolarHBondContact O-N 3.5Å; G7-A11 WeakPolarHBondContact O-CB 3.32Å; G7-A11 PolarHBondContact O-N 3.12Å
8	L	89.3	Confident	86.8	Confident	93 Å²	93	105.4 Å²	105.4	49%	0.487	59%	0.587	S	S	.	*	H	α-helix	trans	-64.6	-42.2	177.1	-177.7	61.5	0	0	112	F4 M5 A11 K12	F4-L8 WeakPolarHBondContact O-CB 3.46Å; F4-L8 PolarHBondContact O-N 3.3Å; M5-L8 PolarHBondContact O-N 3.43Å; L8-A11 PolarHBondContact O-N 2.91Å; L8-K12 WeakPolarHBondContact O-CG 3.36Å; L8-K12 PolarHBondContact O-N 2.89Å
9	S	87.6	Confident	87.1	Confident	63 Å²	63	102.9 Å²	102.9	44%	0.441	58%	0.582	S	S	.	*	H	α-helix	trans	-62.8	-44	176.2	-65.1	0	0	0	112	M5 A11 K12 E13	M5-S9 PolarHBondContact O-N 3.17Å; M5-S9 PolarHBondContact O-OG 2.93Å; S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 3.49Å; S9-K12 WeakPolarHBondContact O-CB 3.49Å; S9-K12 PolarHBondContact O-N 2.96Å; S9-E13 WeakPolarHBondContact O-CG 3.37Å; S9-E13 PolarHBondContact O-N 3.31Å
10	K	86.2	Confident	87.3	Confident	139 Å²	139	103.4 Å²	103.4	60%	0.604	58%	0.579	S	S	*	*	H	α-helix	trans	-61.8	-39.3	173.7	-77.2	-173.6	175.3	-172.1	112.7	K6 G7 E13 G14	K6-K10 WeakPolarHBondContact O-CG 3.49Å; K6-K10 PolarHBondContact O-N 3.41Å; K6-K10 VanDerWaalsContact O-N 3.12Å; G7-K10 PolarHBondContact O-N 3.5Å; K10-E13 PolarHBondContact O-N 3.27Å; K10-G14 PolarHBondContact O-N 3.43Å
11	A	86.4	Confident	87.6	Confident	55 Å²	55	106 Å²	106	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-64.2	-42	175.5	0	0	0	0	111.4	G7 L8 S9 G14 V15	G7-A11 WeakPolarHBondContact O-CB 3.32Å; G7-A11 PolarHBondContact O-N 3.12Å; L8-A11 PolarHBondContact O-N 2.91Å; S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 3.49Å; A11-G14 PolarHBondContact O-N 2.91Å; A11-V15 WeakPolarHBondContact O-CG2 3.35Å; A11-V15 PolarHBondContact O-N 3.22Å
12	K	89.2	Confident	88.3	Confident	130 Å²	130	101.3 Å²	101.3	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-61.7	-48.1	175	-73.9	178.3	177.1	-172.2	111.9	L8 S9 G14 V15 V16	L8-K12 WeakPolarHBondContact O-CG 3.36Å; L8-K12 PolarHBondContact O-N 2.89Å; S9-K12 WeakPolarHBondContact O-CB 3.49Å; S9-K12 PolarHBondContact O-N 2.96Å; K12-G14 VanDerWaalsContact C-N 3.29Å; K12-G14 PolarHBondContact O-N 2.88Å; K12-V15 PolarHBondContact O-N 3.31Å; K12-V16 WeakPolarHBondContact O-CG2 3.45Å; K12-V16 PolarHBondContact O-N 3.42Å
13	E	87.3	Confident	88.6	Confident	132 Å²	132	102.6 Å²	102.6	62%	0.617	57%	0.566	S	S	*	*	H	α-helix	trans	-58.6	-42	175	-73.4	172	-173	0	111.6	S9 K10 V15 V16 A17	S9-E13 WeakPolarHBondContact O-CG 3.37Å; S9-E13 PolarHBondContact O-N 3.31Å; K10-E13 PolarHBondContact O-N 3.27Å; E13-V15 PolarHBondContact O-N 2.93Å; E13-V16 PolarHBondContact O-N 2.86Å; E13-A17 WeakPolarHBondContact O-CB 3.27Å; E13-A17 PolarHBondContact O-N 2.92Å
14	G	89	Confident	89.1	Confident	42 Å²	42	102.6 Å²	102.6	43%	0.433	56%	0.557	S	S	.	*	H	α-helix	trans	-60.8	-42.1	175.3	0	0	0	0	113.2	K10 A11 K12 A18	K10-G14 PolarHBondContact O-N 3.43Å; A11-G14 PolarHBondContact O-N 2.91Å; K12-G14 VanDerWaalsContact C-N 3.29Å; K12-G14 PolarHBondContact O-N 2.88Å; G14-A18 VanDerWaalsContact O-CB 3.27Å; G14-A18 WeakPolarHBondContact O-CB 3.33Å; G14-A18 PolarHBondContact O-N 3.39Å
15	V	91.2	Very high	89.5	Confident	104 Å²	104	95.9 Å²	95.9	63%	0.63	54%	0.539	S	S	*	.	H	α-helix	trans	-66.9	-42.2	175.6	172.4	0	0	0	111.4	A11 K12 E13 A18 A19	A11-V15 WeakPolarHBondContact O-CG2 3.35Å; A11-V15 PolarHBondContact O-N 3.22Å; K12-V15 PolarHBondContact O-N 3.31Å; E13-V15 PolarHBondContact O-N 2.93Å; V15-A18 PolarHBondContact O-N 3.48Å; V15-A19 WeakPolarHBondContact O-CB 3.34Å; V15-A19 PolarHBondContact O-N 3.21Å
16	V	91.8	Very high	89.9	Confident	90 Å²	90	94.7 Å²	94.7	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-46.3	177	173.1	0	0	0	110.7	K12 E13 A18 A19 E20	K12-V16 WeakPolarHBondContact O-CG2 3.45Å; K12-V16 PolarHBondContact O-N 3.42Å; E13-V16 PolarHBondContact O-N 2.86Å; V16-A18 PolarHBondContact O-N 3.45Å; V16-A19 PolarHBondContact O-N 3.33Å; V16-E20 WeakPolarHBondContact O-CB 3.41Å; V16-E20 PolarHBondContact O-N 2.94Å
17	A	90.6	Very high	90.3	Very high	61 Å²	61	90.9 Å²	90.9	50%	0.504	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-40.1	177.4	0	0	0	0	112.3	E13 E20 K21	E13-A17 WeakPolarHBondContact O-CB 3.27Å; E13-A17 PolarHBondContact O-N 2.92Å; A17-E20 PolarHBondContact O-N 3.35Å; A17-K21 WeakPolarHBondContact O-CB 3.49Å; A17-K21 PolarHBondContact O-N 3.14Å
18	A	90	Very high	90.6	Very high	55 Å²	55	94.3 Å²	94.3	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-45.7	174.5	0	0	0	0	111.5	G14 V15 V16 E20 K21 T22	G14-A18 VanDerWaalsContact O-CB 3.27Å; G14-A18 WeakPolarHBondContact O-CB 3.33Å; G14-A18 PolarHBondContact O-N 3.39Å; V15-A18 PolarHBondContact O-N 3.48Å; V16-A18 PolarHBondContact O-N 3.45Å; A18-E20 VanDerWaalsContact C-N 3.34Å; A18-E20 PolarHBondContact O-N 3.46Å; A18-K21 PolarHBondContact O-N 3.47Å; A18-T22 PolarHBondContact O-N 2.89Å; A18-T22 PolarHBondContact O-OG1 3.45Å
19	A	91.2	Very high	90.7	Very high	59 Å²	59	92.4 Å²	92.4	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-61.9	-41.1	177.3	0	0	0	0	112.1	V15 V16 T22 K23	V15-A19 WeakPolarHBondContact O-CB 3.34Å; V15-A19 PolarHBondContact O-N 3.21Å; V16-A19 PolarHBondContact O-N 3.33Å; A19-T22 PolarHBondContact O-N 2.94Å; A19-K23 PolarHBondContact O-N 3.27Å
20	E	91	Very high	91	Very high	111 Å²	111	92.2 Å²	92.2	52%	0.519	54%	0.539	S	S	.	.	H	α-helix	trans	-68.6	-39.5	178.5	-169.1	140.3	-158.7	0	112.1	V16 A17 A18 T22 K23 Q24	V16-E20 WeakPolarHBondContact O-CB 3.41Å; V16-E20 PolarHBondContact O-N 2.94Å; A17-E20 PolarHBondContact O-N 3.35Å; A18-E20 VanDerWaalsContact C-N 3.34Å; A18-E20 PolarHBondContact O-N 3.46Å; E20-T22 VanDerWaalsContact C-N 3.33Å; E20-T22 PolarHBondContact O-N 3.2Å; E20-K23 WeakPolarHBondContact O-CB 3.36Å; E20-K23 PolarHBondContact O-N 3.01Å; E20-Q24 WeakPolarHBondContact O-CG 3.34Å; E20-Q24 PolarHBondContact O-N 3.47Å
21	K	93.6	Very high	91.4	Very high	160 Å²	160	87.3 Å²	87.3	70%	0.696	53%	0.527	S	S	*	.	H	α-helix	trans	-63.8	-38	172.8	-167.4	171.8	-175.5	176.2	112	A17 A18 Q24 G25	A17-K21 WeakPolarHBondContact O-CB 3.49Å; A17-K21 PolarHBondContact O-N 3.14Å; A18-K21 PolarHBondContact O-N 3.47Å; K21-Q24 PolarHBondContact O-N 2.93Å; K21-G25 PolarHBondContact O-N 2.96Å
22	T	92.2	Very high	91.8	Very high	93 Å²	93	90.7 Å²	90.7	57%	0.571	53%	0.531	S	S	*	.	H	α-helix	trans	-64.4	-42.1	172.6	-63.2	0	0	0	111.4	A18 A19 E20 Q24 G25 V26	A18-T22 PolarHBondContact O-N 2.89Å; A18-T22 PolarHBondContact O-OG1 3.45Å; A19-T22 PolarHBondContact O-N 2.94Å; E20-T22 VanDerWaalsContact C-N 3.33Å; E20-T22 PolarHBondContact O-N 3.2Å; T22-Q24 VanDerWaalsContact C-N 3.33Å; T22-Q24 PolarHBondContact O-N 2.9Å; T22-G25 PolarHBondContact O-N 3.23Å; T22-V26 HydrophobicContact CG2-CG2 4.31Å; T22-V26 WeakPolarHBondContact O-CG2 3.35Å; T22-V26 PolarHBondContact O-N 3.43Å
23	K	91.9	Very high	92	Very high	157 Å²	157	88.9 Å²	88.9	68%	0.683	53%	0.532	S	S	*	.	H	α-helix	trans	-59.4	-44.3	176.6	-174.1	-178.7	178.6	-175.1	111.8	A19 E20 A27	A19-K23 PolarHBondContact O-N 3.27Å; E20-K23 WeakPolarHBondContact O-CB 3.36Å; E20-K23 PolarHBondContact O-N 3.01Å; K23-A27 WeakPolarHBondContact O-CB 3.43Å; K23-A27 PolarHBondContact O-N 3.49Å; K23-A27 VanDerWaalsContact O-N 3.07Å
24	Q	92.5	Very high	92.3	Very high	126 Å²	126	89.7 Å²	89.7	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-45.2	175.2	-70.2	177.7	-3.5	0	111.8	E20 K21 T22 V26 A27 E28	E20-Q24 WeakPolarHBondContact O-CG 3.34Å; E20-Q24 PolarHBondContact O-N 3.47Å; K21-Q24 PolarHBondContact O-N 2.93Å; T22-Q24 VanDerWaalsContact C-N 3.33Å; T22-Q24 PolarHBondContact O-N 2.9Å; Q24-V26 PolarHBondContact O-N 3.45Å; Q24-A27 PolarHBondContact O-N 2.89Å; Q24-E28 WeakPolarHBondContact O-CB 3.44Å; Q24-E28 PolarHBondContact O-N 3.24Å
25	G	91.4	Very high	92.5	Very high	38 Å²	38	94.3 Å²	94.3	39%	0.392	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-41.2	178.5	0	0	0	0	113.2	K21 T22 E28 A29	K21-G25 PolarHBondContact O-N 2.96Å; T22-G25 PolarHBondContact O-N 3.23Å; G25-E28 PolarHBondContact O-N 3.07Å; G25-A29 VanDerWaalsContact O-CB 3.3Å; G25-A29 WeakPolarHBondContact O-CB 3.46Å; G25-A29 PolarHBondContact O-N 2.95Å
26	V	93.9	Very high	92.7	Very high	95 Å²	95	91 Å²	91	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-65.8	-42.9	175.6	172.8	0	0	0	111	T22 Q24 A29 A30	T22-V26 HydrophobicContact CG2-CG2 4.31Å; T22-V26 WeakPolarHBondContact O-CG2 3.35Å; T22-V26 PolarHBondContact O-N 3.43Å; Q24-V26 PolarHBondContact O-N 3.45Å; V26-A29 PolarHBondContact O-N 3.43Å; V26-A30 WeakPolarHBondContact O-CB 3.3Å; V26-A30 PolarHBondContact O-N 2.94Å
27	A	93.1	Very high	92.8	Very high	65 Å²	65	91.3 Å²	91.3	54%	0.537	53%	0.532	S	S	.	.	H	α-helix	trans	-63.9	-41.7	177.5	0	0	0	0	112.3	K23 Q24 A30 G31	K23-A27 WeakPolarHBondContact O-CB 3.43Å; K23-A27 PolarHBondContact O-N 3.49Å; K23-A27 VanDerWaalsContact O-N 3.07Å; Q24-A27 PolarHBondContact O-N 2.89Å; A27-A30 PolarHBondContact O-N 2.68Å; A27-G31 PolarHBondContact O-N 3.05Å
28	E	92.7	Very high	93.1	Very high	113 Å²	113	93.4 Å²	93.4	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-66.9	-43.4	177.2	-168.6	-173.5	157	0	111.7	Q24 G25 A30 G31 K32	Q24-E28 WeakPolarHBondContact O-CB 3.44Å; Q24-E28 PolarHBondContact O-N 3.24Å; G25-E28 PolarHBondContact O-N 3.07Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 2.83Å; E28-G31 PolarHBondContact O-N 3.37Å; E28-K32 PolarHBondContact O-N 3.4Å; E28-K32 WeakPolarHBondContact OE1-CE 3.49Å; E28-K32 IonicContact OE1-NZ 2.68Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å
29	A	92.9	Very high	93.3	Very high	53 Å²	53	97.8 Å²	97.8	44%	0.438	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-40.9	176.4	0	0	0	0	112	G25 V26 G31 T33	G25-A29 VanDerWaalsContact O-CB 3.3Å; G25-A29 WeakPolarHBondContact O-CB 3.46Å; G25-A29 PolarHBondContact O-N 2.95Å; V26-A29 PolarHBondContact O-N 3.43Å; A29-G31 VanDerWaalsContact C-N 3.35Å; A29-T33 WeakPolarHBondContact O-CB 3.31Å; A29-T33 PolarHBondContact O-N 3.17Å; A29-T33 PolarHBondContact O-OG1 2.92Å
30	A	92.8	Very high	93.4	Very high	59 Å²	59	99 Å²	99	49%	0.488	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-41.3	173.3	0	0	0	0	111.6	V26 A27 E28 T33 K34	V26-A30 WeakPolarHBondContact O-CB 3.3Å; V26-A30 PolarHBondContact O-N 2.94Å; A27-A30 PolarHBondContact O-N 2.68Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 2.83Å; A30-T33 PolarHBondContact O-N 3.47Å; A30-K34 WeakPolarHBondContact O-CB 3.19Å; A30-K34 PolarHBondContact O-N 3.48Å
31	G	93.9	Very high	93.6	Very high	35 Å²	35	95.8 Å²	95.8	36%	0.361	54%	0.537	S	S	.	.	H	α-helix	trans	-59.2	-51.8	175.5	0	0	0	0	112.9	A27 E28 A29 T33 K34 E35	A27-G31 PolarHBondContact O-N 3.05Å; E28-G31 PolarHBondContact O-N 3.37Å; A29-G31 VanDerWaalsContact C-N 3.35Å; G31-T33 VanDerWaalsContact C-N 3.3Å; G31-T33 PolarHBondContact O-N 3.47Å; G31-K34 WeakPolarHBondContact O-CB 3.47Å; G31-K34 PolarHBondContact O-N 3.41Å; G31-E35 PolarHBondContact O-N 3.31Å
32	K	95.2	Very high	93.6	Very high	126 Å²	126	91.1 Å²	91.1	55%	0.548	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-36.7	178.3	-71	179.9	-176.1	168.6	112.6	E28 E35 G36	E28-K32 PolarHBondContact O-N 3.4Å; E28-K32 WeakPolarHBondContact OE1-CE 3.49Å; E28-K32 IonicContact OE1-NZ 2.68Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å; K32-E35 PolarHBondContact O-N 3.48Å; K32-G36 PolarHBondContact O-N 2.91Å
33	T	92.9	Very high	93.7	Very high	93 Å²	93	91.4 Å²	91.4	57%	0.571	52%	0.518	S	S	*	.	H	α-helix	trans	-66.4	-43.9	175.9	-56	0	0	0	111.1	A29 A30 G31 E35 G36 V37	A29-T33 WeakPolarHBondContact O-CB 3.31Å; A29-T33 PolarHBondContact O-N 3.17Å; A29-T33 PolarHBondContact O-OG1 2.92Å; A30-T33 PolarHBondContact O-N 3.47Å; G31-T33 VanDerWaalsContact C-N 3.3Å; G31-T33 PolarHBondContact O-N 3.47Å; T33-E35 PolarHBondContact O-N 2.92Å; T33-G36 PolarHBondContact O-N 3.04Å; T33-V37 VanDerWaalsContact O-CG2 3.31Å; T33-V37 WeakPolarHBondContact O-CG2 3.3Å; T33-V37 PolarHBondContact O-N 3.49Å
34	K	94.4	Very high	93.7	Very high	148 Å²	148	87.8 Å²	87.8	64%	0.643	51%	0.51	S	S	*	.	H	α-helix	trans	-59.7	-46	175.9	-176.4	-177.6	179	-176.4	111.5	A30 G31 V37 L38	A30-K34 WeakPolarHBondContact O-CB 3.19Å; A30-K34 PolarHBondContact O-N 3.48Å; G31-K34 WeakPolarHBondContact O-CB 3.47Å; G31-K34 PolarHBondContact O-N 3.41Å; K34-V37 PolarHBondContact O-N 2.97Å; K34-L38 HydrophobicContact CG-CD1 4.26Å; K34-L38 VanDerWaalsContact O-CG 3.3Å; K34-L38 WeakPolarHBondContact O-CG 3.46Å; K34-L38 PolarHBondContact O-N 2.97Å
35	E	93	Very high	93.6	Very high	139 Å²	139	89 Å²	89	65%	0.65	51%	0.513	S	S	*	.	H	α-helix	trans	-62.8	-43.9	177.3	-172.3	175.8	-173.2	0	111.7	G31 K32 T33 V37 L38 Y39	G31-E35 PolarHBondContact O-N 3.31Å; K32-E35 PolarHBondContact O-N 3.48Å; T33-E35 PolarHBondContact O-N 2.92Å; E35-V37 PolarHBondContact O-N 3.19Å; E35-L38 PolarHBondContact O-N 3.01Å; E35-Y39 WeakPolarHBondContact O-CB 3.34Å; E35-Y39 PolarHBondContact O-N 2.93Å
36	G	94.9	Very high	93.5	Very high	34 Å²	34	92.4 Å²	92.4	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-60.3	-44.7	175.7	0	0	0	0	112.9	K32 T33 L38 Y39 V40	K32-G36 PolarHBondContact O-N 2.91Å; T33-G36 PolarHBondContact O-N 3.04Å; G36-L38 PolarHBondContact O-N 2.86Å; G36-Y39 PolarHBondContact O-N 3.35Å; G36-V40 WeakPolarHBondContact O-CG2 3.4Å; G36-V40 PolarHBondContact O-N 2.84Å
37	V	95.1	Very high	93.4	Very high	97 Å²	97	90 Å²	90	59%	0.588	51%	0.513	S	S	*	.	H	α-helix	trans	-62.9	-42.2	176.3	171.8	0	0	0	111.2	T33 K34 E35 G41	T33-V37 VanDerWaalsContact O-CG2 3.31Å; T33-V37 WeakPolarHBondContact O-CG2 3.3Å; T33-V37 PolarHBondContact O-N 3.49Å; K34-V37 PolarHBondContact O-N 2.97Å; E35-V37 PolarHBondContact O-N 3.19Å; V37-G41 PolarHBondContact O-N 3.27Å
38	L	95.6	Very high	93.4	Very high	105 Å²	105	91 Å²	91	55%	0.55	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-40.2	177	-71.6	174.3	0	0	112.3	K34 E35 G36 S42	K34-L38 HydrophobicContact CG-CD1 4.26Å; K34-L38 VanDerWaalsContact O-CG 3.3Å; K34-L38 WeakPolarHBondContact O-CG 3.46Å; K34-L38 PolarHBondContact O-N 2.97Å; E35-L38 PolarHBondContact O-N 3.01Å; G36-L38 PolarHBondContact O-N 2.86Å; L38-S42 VanDerWaalsContact O-CB 3.28Å; L38-S42 WeakPolarHBondContact O-CB 3.21Å; L38-S42 PolarHBondContact O-N 2.89Å; L38-S42 PolarHBondContact O-OG 3.48Å
39	Y	94.8	Very high	93.3	Very high	148 Å²	148	89.9 Å²	89.9	58%	0.58	51%	0.513	S	S	*	.	H	α-helix	trans	-63.3	-51.4	176.7	176.7	-95.4	0	0	111.4	E35 G36 G41 S42 K43	E35-Y39 WeakPolarHBondContact O-CB 3.34Å; E35-Y39 PolarHBondContact O-N 2.93Å; G36-Y39 PolarHBondContact O-N 3.35Å; Y39-G41 PolarHBondContact O-N 2.72Å; Y39-S42 PolarHBondContact O-N 2.93Å; Y39-K43 HydrophobicContact CD1-CG 4.37Å; Y39-K43 HydrophobicContact CD2-CG 4.49Å; Y39-K43 HydrophobicContact CE1-CG 3.94Å; Y39-K43 HydrophobicContact CE2-CG 4.09Å; Y39-K43 WeakPolarHBondContact O-CB 3.36Å; Y39-K43 WeakPolarHBondContact O-CG 3.43Å; Y39-K43 PolarHBondContact O-N 3.03Å
40	V	94.4	Very high	93.2	Very high	85 Å²	85	93.7 Å²	93.7	52%	0.515	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-45.9	177.9	174.1	0	0	0	110	G36 S42 K43 T44	G36-V40 WeakPolarHBondContact O-CG2 3.4Å; G36-V40 PolarHBondContact O-N 2.84Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 3.49Å; V40-K43 PolarHBondContact O-N 3Å; V40-T44 WeakPolarHBondContact O-CB 3.46Å; V40-T44 PolarHBondContact O-N 2.8Å; V40-T44 PolarHBondContact O-OG1 3.26Å
41	G	94.7	Very high	93.1	Very high	42 Å²	42	92.4 Å²	92.4	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-58.7	-42.1	176.8	0	0	0	0	112.9	V37 Y39 K45	V37-G41 PolarHBondContact O-N 3.27Å; Y39-G41 PolarHBondContact O-N 2.72Å; G41-K45 WeakPolarHBondContact O-CB 3.42Å; G41-K45 PolarHBondContact O-N 3.36Å
42	S	94	Very high	92.9	Very high	63 Å²	63	95.2 Å²	95.2	44%	0.441	52%	0.524	S	S	.	.	H	α-helix	trans	-66.8	-44.6	177.2	-58	0	0	0	111.7	L38 Y39 V40 K45 E46	L38-S42 VanDerWaalsContact O-CB 3.28Å; L38-S42 WeakPolarHBondContact O-CB 3.21Å; L38-S42 PolarHBondContact O-N 2.89Å; L38-S42 PolarHBondContact O-OG 3.48Å; Y39-S42 PolarHBondContact O-N 2.93Å; V40-S42 VanDerWaalsContact C-N 3.32Å; V40-S42 PolarHBondContact O-N 3.49Å; S42-K45 PolarHBondContact O-N 2.88Å; S42-E46 WeakPolarHBondContact O-CG 3.28Å; S42-E46 PolarHBondContact O-N 3.29Å
43	K	93.7	Very high	92.7	Very high	98 Å²	98	91.8 Å²	91.8	43%	0.426	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-39.1	178	-73.8	-72.1	159.6	-150.6	112.8	Y39 V40 E46 G47	Y39-K43 HydrophobicContact CD1-CG 4.37Å; Y39-K43 HydrophobicContact CD2-CG 4.49Å; Y39-K43 HydrophobicContact CE1-CG 3.94Å; Y39-K43 HydrophobicContact CE2-CG 4.09Å; Y39-K43 WeakPolarHBondContact O-CB 3.36Å; Y39-K43 WeakPolarHBondContact O-CG 3.43Å; Y39-K43 PolarHBondContact O-N 3.03Å; V40-K43 PolarHBondContact O-N 3Å; K43-E46 IonicContact NZ-OE2 2.75Å; K43-E46 PolarHBondContact NZ-OE2 2.87Å; K43-E46 PolarHBondContact O-N 2.91Å; K43-G47 PolarHBondContact O-N 2.82Å
44	T	91.6	Very high	92.5	Very high	81 Å²	81	89.3 Å²	89.3	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-43.2	172.7	-62.6	0	0	0	110.7	V40 G47 V48	V40-T44 WeakPolarHBondContact O-CB 3.46Å; V40-T44 PolarHBondContact O-N 2.8Å; V40-T44 PolarHBondContact O-OG1 3.26Å; T44-G47 PolarHBondContact O-N 3.04Å; T44-V48 HydrophobicContact CG2-CG2 4.14Å; T44-V48 WeakPolarHBondContact O-CB 3.36Å; T44-V48 VanDerWaalsContact O-CG2 3.23Å; T44-V48 WeakPolarHBondContact O-CG2 3.2Å; T44-V48 PolarHBondContact O-N 2.82Å
45	K	91.6	Very high	92.3	Very high	153 Å²	153	86.6 Å²	86.6	67%	0.665	50%	0.5	S	S	*	.	H	α-helix	trans	-59.7	-49.3	175.5	-175.7	-175.4	177.9	-173.8	111.4	G41 S42 G47 V48 V49	G41-K45 WeakPolarHBondContact O-CB 3.42Å; G41-K45 PolarHBondContact O-N 3.36Å; S42-K45 PolarHBondContact O-N 2.88Å; K45-G47 PolarHBondContact O-N 2.87Å; K45-V48 PolarHBondContact O-N 3.31Å; K45-V49 HydrophobicContact CG-CG2 4.34Å; K45-V49 WeakPolarHBondContact O-CB 3.34Å; K45-V49 WeakPolarHBondContact O-CG2 3.34Å; K45-V49 PolarHBondContact O-N 3.4Å
46	E	88.8	Confident	92	Very high	109 Å²	109	82.8 Å²	82.8	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-57.8	-47.2	175.8	-74.5	172.6	-174.5	0	111.6	S42 K43 V49 H50	S42-E46 WeakPolarHBondContact O-CG 3.28Å; S42-E46 PolarHBondContact O-N 3.29Å; K43-E46 IonicContact NZ-OE2 2.75Å; K43-E46 PolarHBondContact NZ-OE2 2.87Å; K43-E46 PolarHBondContact O-N 2.91Å; E46-V49 PolarHBondContact O-N 3.32Å; E46-H50 WeakPolarHBondContact O-CB 3.23Å; E46-H50 PolarHBondContact O-N 3.26Å
47	G	90.7	Very high	91.8	Very high	45 Å²	45	86.8 Å²	86.8	46%	0.464	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-39.6	179.6	0	0	0	0	113.5	K43 T44 K45 G51	K43-G47 PolarHBondContact O-N 2.82Å; T44-G47 PolarHBondContact O-N 3.04Å; K45-G47 PolarHBondContact O-N 2.87Å; G47-G51 WeakPolarHBondContact O-CA 3.24Å; G47-G51 PolarHBondContact O-N 3.44Å
48	V	93.1	Very high	91.6	Very high	84 Å²	84	88.2 Å²	88.2	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-69.8	-46.2	176.1	171.1	0	0	0	110.6	T44 K45 H50 G51 V52	T44-V48 HydrophobicContact CG2-CG2 4.14Å; T44-V48 WeakPolarHBondContact O-CB 3.36Å; T44-V48 VanDerWaalsContact O-CG2 3.23Å; T44-V48 WeakPolarHBondContact O-CG2 3.2Å; T44-V48 PolarHBondContact O-N 2.82Å; K45-V48 PolarHBondContact O-N 3.31Å; V48-H50 VanDerWaalsContact C-N 3.33Å; V48-H50 PolarHBondContact O-N 3.46Å; V48-G51 PolarHBondContact O-N 2.81Å; V48-V52 HydrophobicContact CG1-CG2 4.17Å; V48-V52 WeakPolarHBondContact O-CB 3.37Å; V48-V52 VanDerWaalsContact O-CG2 3.24Å; V48-V52 WeakPolarHBondContact O-CG2 3.5Å; V48-V52 PolarHBondContact O-N 2.82Å
49	V	91	Very high	91.4	Very high	91 Å²	91	86.4 Å²	86.4	55%	0.552	49%	0.493	S	S	*	.	H	α-helix	trans	-60.7	-46.2	177.7	169.9	0	0	0	110.4	K45 E46 A53	K45-V49 HydrophobicContact CG-CG2 4.34Å; K45-V49 WeakPolarHBondContact O-CB 3.34Å; K45-V49 WeakPolarHBondContact O-CG2 3.34Å; K45-V49 PolarHBondContact O-N 3.4Å; E46-V49 PolarHBondContact O-N 3.32Å; V49-A53 VanDerWaalsContact O-CB 3.24Å; V49-A53 WeakPolarHBondContact O-CB 3.2Å; V49-A53 PolarHBondContact O-N 3.35Å
50	H	90.4	Very high	91.1	Very high	133 Å²	133	86.7 Å²	86.7	62%	0.616	50%	0.497	S	S	*	.	H	α-helix	trans	-63.4	-47.7	176.4	-175.1	68.3	0	0	111.4	E46 V48 V52 A53 T54	E46-H50 WeakPolarHBondContact O-CB 3.23Å; E46-H50 PolarHBondContact O-N 3.26Å; V48-H50 VanDerWaalsContact C-N 3.33Å; V48-H50 PolarHBondContact O-N 3.46Å; H50-V52 PolarHBondContact O-N 2.75Å; H50-A53 PolarHBondContact O-N 3.49Å; H50-T54 WeakPolarHBondContact O-CB 3.26Å; H50-T54 PolarHBondContact O-N 2.87Å; H50-T54 PolarHBondContact O-OG1 3.48Å
51	G	90.4	Very high	90.7	Very high	31 Å²	31	88.1 Å²	88.1	32%	0.32	50%	0.498	S	S	.	.	H	α-helix	trans	-59.8	-45.7	179.1	0	0	0	0	112.8	G47 V48 T54 V55	G47-G51 WeakPolarHBondContact O-CA 3.24Å; G47-G51 PolarHBondContact O-N 3.44Å; V48-G51 PolarHBondContact O-N 2.81Å; G51-T54 PolarHBondContact O-N 2.85Å; G51-V55 WeakPolarHBondContact O-CB 3.43Å; G51-V55 VanDerWaalsContact O-CG2 3.26Å; G51-V55 WeakPolarHBondContact O-CG2 3.24Å; G51-V55 PolarHBondContact O-N 3.47Å
52	V	91.5	Very high	90.3	Very high	94 Å²	94	92.2 Å²	92.2	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-65.8	-43.3	177.2	173.1	0	0	0	110.9	V48 H50 T54 V55 A56	V48-V52 HydrophobicContact CG1-CG2 4.17Å; V48-V52 WeakPolarHBondContact O-CB 3.37Å; V48-V52 VanDerWaalsContact O-CG2 3.24Å; V48-V52 WeakPolarHBondContact O-CG2 3.5Å; V48-V52 PolarHBondContact O-N 2.82Å; H50-V52 PolarHBondContact O-N 2.75Å; V52-T54 PolarHBondContact O-N 2.85Å; V52-V55 PolarHBondContact O-N 2.97Å; V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 2.89Å
53	A	89.4	Confident	90	Very high	55 Å²	55	93.9 Å²	93.9	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-45	176.1	0	0	0	0	111.7	V49 H50 A56 E57	V49-A53 VanDerWaalsContact O-CB 3.24Å; V49-A53 WeakPolarHBondContact O-CB 3.2Å; V49-A53 PolarHBondContact O-N 3.35Å; H50-A53 PolarHBondContact O-N 3.49Å; A53-A56 PolarHBondContact O-N 3.45Å; A53-E57 WeakPolarHBondContact O-CB 3.32Å; A53-E57 PolarHBondContact O-N 3.43Å
54	T	89.5	Confident	89.8	Confident	40 Å²	40	93.3 Å²	93.3	25%	0.245	52%	0.518	C	S	.	.	H	α-helix	trans	-63.8	-41.9	176.8	-60.7	0	0	0	112.3	H50 G51 V52 E57 K58	H50-T54 WeakPolarHBondContact O-CB 3.26Å; H50-T54 PolarHBondContact O-N 2.87Å; H50-T54 PolarHBondContact O-OG1 3.48Å; G51-T54 PolarHBondContact O-N 2.85Å; V52-T54 PolarHBondContact O-N 2.85Å; T54-E57 PolarHBondContact O-N 2.92Å; T54-K58 HydrophobicContact CG2-CD 4.3Å; T54-K58 WeakPolarHBondContact O-CB 3.37Å; T54-K58 WeakPolarHBondContact O-CG 3.3Å; T54-K58 PolarHBondContact O-N 3.29Å
55	V	89.9	Confident	89.7	Confident	92 Å²	92	95.1 Å²	95.1	56%	0.558	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-41.8	176.8	170.7	0	0	0	110.5	G51 V52 T59	G51-V55 WeakPolarHBondContact O-CB 3.43Å; G51-V55 VanDerWaalsContact O-CG2 3.26Å; G51-V55 WeakPolarHBondContact O-CG2 3.24Å; G51-V55 PolarHBondContact O-N 3.47Å; V52-V55 PolarHBondContact O-N 2.97Å; V55-T59 VanDerWaalsContact O-CB 3.26Å; V55-T59 WeakPolarHBondContact O-CB 3.4Å; V55-T59 PolarHBondContact O-N 2.94Å; V55-T59 PolarHBondContact O-OG1 3.13Å
56	A	87.7	Confident	89.6	Confident	58 Å²	58	92.3 Å²	92.3	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-63	-43.6	176.6	0	0	0	0	111.8	V52 A53 T59 K60	V52-A56 WeakPolarHBondContact O-CB 3.49Å; V52-A56 PolarHBondContact O-N 2.89Å; A53-A56 PolarHBondContact O-N 3.45Å; A56-T59 PolarHBondContact O-N 3Å; A56-K60 WeakPolarHBondContact O-CB 3.26Å; A56-K60 PolarHBondContact O-N 2.69Å
57	E	89.5	Confident	89.6	Confident	119 Å²	119	88.6 Å²	88.6	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-62.2	-51.1	176.6	-172.6	-179.1	-161.1	0	111.4	A53 T54 T59 K60 E61	A53-E57 WeakPolarHBondContact O-CB 3.32Å; A53-E57 PolarHBondContact O-N 3.43Å; T54-E57 PolarHBondContact O-N 2.92Å; E57-T59 VanDerWaalsContact C-N 3.28Å; E57-T59 PolarHBondContact O-N 2.85Å; E57-K60 WeakPolarHBondContact O-CB 3.4Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-K60 VanDerWaalsContact O-N 3.15Å; E57-E61 PolarHBondContact O-N 3.33Å
58	K	92.2	Very high	89.6	Confident	126 Å²	126	88.2 Å²	88.2	55%	0.548	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-38.8	175.9	-73.9	-173.6	177	-166.9	112.4	T54 Q62	T54-K58 HydrophobicContact CG2-CD 4.3Å; T54-K58 WeakPolarHBondContact O-CB 3.37Å; T54-K58 WeakPolarHBondContact O-CG 3.3Å; T54-K58 PolarHBondContact O-N 3.29Å; K58-Q62 WeakPolarHBondContact O-CB 3.36Å; K58-Q62 VanDerWaalsContact O-CG 3.3Å; K58-Q62 WeakPolarHBondContact O-CG 3.41Å; K58-Q62 PolarHBondContact O-N 2.86Å
59	T	89.6	Confident	89.5	Confident	67 Å²	67	87.3 Å²	87.3	41%	0.411	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-43.9	176.9	-58.1	0	0	0	110.6	V55 A56 E57 E61 Q62 V63	V55-T59 VanDerWaalsContact O-CB 3.26Å; V55-T59 WeakPolarHBondContact O-CB 3.4Å; V55-T59 PolarHBondContact O-N 2.94Å; V55-T59 PolarHBondContact O-OG1 3.13Å; A56-T59 PolarHBondContact O-N 3Å; E57-T59 VanDerWaalsContact C-N 3.28Å; E57-T59 PolarHBondContact O-N 2.85Å; T59-E61 VanDerWaalsContact C-N 3.34Å; T59-E61 PolarHBondContact O-N 2.76Å; T59-Q62 PolarHBondContact O-N 2.94Å; T59-V63 HydrophobicContact CG2-CG2 4.08Å; T59-V63 WeakPolarHBondContact O-CB 3.24Å; T59-V63 VanDerWaalsContact O-CG2 3.24Å; T59-V63 WeakPolarHBondContact O-CG2 3.33Å; T59-V63 PolarHBondContact O-N 3Å
60	K	89.2	Confident	89.7	Confident	155 Å²	155	87 Å²	87	67%	0.674	51%	0.507	S	S	*	.	H	α-helix	trans	-58.9	-45.6	176.5	-177.8	-176.8	176.6	-175.6	111.4	A56 E57 T64	A56-K60 WeakPolarHBondContact O-CB 3.26Å; A56-K60 PolarHBondContact O-N 2.69Å; E57-K60 WeakPolarHBondContact O-CB 3.4Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-K60 VanDerWaalsContact O-N 3.15Å; K60-T64 WeakPolarHBondContact O-CB 3.45Å; K60-T64 PolarHBondContact O-N 2.82Å; K60-T64 PolarHBondContact O-OG1 2.89Å
61	E	86.2	Confident	89.7	Confident	114 Å²	114	85.1 Å²	85.1	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-46.7	176.5	-71.1	-174.5	163.3	0	112	E57 T59 T64 N65	E57-E61 PolarHBondContact O-N 3.33Å; T59-E61 VanDerWaalsContact C-N 3.34Å; T59-E61 PolarHBondContact O-N 2.76Å; E61-T64 PolarHBondContact O-N 3.3Å; E61-N65 WeakPolarHBondContact O-CB 3.39Å; E61-N65 VanDerWaalsContact O-CG 3.28Å; E61-N65 PolarHBondContact O-N 3.44Å
62	Q	85.8	Confident	89.8	Confident	129 Å²	129	88.2 Å²	88.2	60%	0.603	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-43.9	178.9	-75.4	-177.8	-6.4	0	112.4	K58 T59 T64 N65 V66	K58-Q62 WeakPolarHBondContact O-CB 3.36Å; K58-Q62 VanDerWaalsContact O-CG 3.3Å; K58-Q62 WeakPolarHBondContact O-CG 3.41Å; K58-Q62 PolarHBondContact O-N 2.86Å; T59-Q62 PolarHBondContact O-N 2.94Å; Q62-T64 VanDerWaalsContact C-N 3.3Å; Q62-T64 PolarHBondContact O-N 2.96Å; Q62-N65 PolarHBondContact O-N 2.97Å; Q62-V66 WeakPolarHBondContact O-CB 3.25Å; Q62-V66 VanDerWaalsContact O-CG2 3.25Å; Q62-V66 WeakPolarHBondContact O-CG2 3.46Å; Q62-V66 PolarHBondContact O-N 3.15Å
63	V	88.7	Confident	89.8	Confident	97 Å²	97	85.4 Å²	85.4	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-63.2	-39.1	176.1	170.1	0	0	0	110.9	T59 G67	T59-V63 HydrophobicContact CG2-CG2 4.08Å; T59-V63 WeakPolarHBondContact O-CB 3.24Å; T59-V63 VanDerWaalsContact O-CG2 3.24Å; T59-V63 WeakPolarHBondContact O-CG2 3.33Å; T59-V63 PolarHBondContact O-N 3Å; V63-G67 WeakPolarHBondContact O-CA 3.29Å; V63-G67 PolarHBondContact O-N 2.8Å
64	T	88.5	Confident	90	Very high	87 Å²	87	87.3 Å²	87.3	53%	0.534	51%	0.513	S	S	.	.	H	α-helix	trans	-65.2	-46.6	176.6	-57.6	0	0	0	111.2	K60 E61 Q62 G68	K60-T64 WeakPolarHBondContact O-CB 3.45Å; K60-T64 PolarHBondContact O-N 2.82Å; K60-T64 PolarHBondContact O-OG1 2.89Å; E61-T64 PolarHBondContact O-N 3.3Å; Q62-T64 VanDerWaalsContact C-N 3.3Å; Q62-T64 PolarHBondContact O-N 2.96Å; T64-G68 PolarHBondContact O-N 2.89Å
65	N	89.2	Confident	90.2	Very high	118 Å²	118	88.7 Å²	88.7	63%	0.631	52%	0.522	S	S	*	.	H	α-helix	trans	-65.7	-46.4	-179.7	-71.4	-15	0	0	112.1	E61 Q62 A69	E61-N65 WeakPolarHBondContact O-CB 3.39Å; E61-N65 VanDerWaalsContact O-CG 3.28Å; E61-N65 PolarHBondContact O-N 3.44Å; Q62-N65 PolarHBondContact O-N 2.97Å; N65-A69 WeakPolarHBondContact O-CB 3.34Å; N65-A69 PolarHBondContact O-N 3.46Å
66	V	89.9	Confident	90.2	Very high	94 Å²	94	86.4 Å²	86.4	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-67.2	-45.1	177.8	174.4	0	0	0	110.3	Q62 G68 A69 V70	Q62-V66 WeakPolarHBondContact O-CB 3.25Å; Q62-V66 VanDerWaalsContact O-CG2 3.25Å; Q62-V66 WeakPolarHBondContact O-CG2 3.46Å; Q62-V66 PolarHBondContact O-N 3.15Å; V66-G68 PolarHBondContact O-N 2.85Å; V66-A69 PolarHBondContact O-N 3.32Å; V66-V70 HydrophobicContact CG1-CG2 4.31Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.41Å; V66-V70 PolarHBondContact O-N 3.36Å
67	G	89.2	Confident	90.5	Very high	32 Å²	32	88.1 Å²	88.1	33%	0.33	52%	0.517	S	S	.	.	H	α-helix	trans	-58.7	-46.4	177.2	0	0	0	0	112.2	V63 A69 V70 V71	V63-G67 WeakPolarHBondContact O-CA 3.29Å; V63-G67 PolarHBondContact O-N 2.8Å; G67-A69 PolarHBondContact O-N 2.88Å; G67-V70 PolarHBondContact O-N 2.92Å; G67-V71 WeakPolarHBondContact O-CG2 3.37Å; G67-V71 PolarHBondContact O-N 2.71Å
68	G	91	Very high	90.6	Very high	37 Å²	37	84.9 Å²	84.9	38%	0.381	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-40.6	175.6	0	0	0	0	113.1	T64 V66 T72	T64-G68 PolarHBondContact O-N 2.89Å; V66-G68 PolarHBondContact O-N 2.85Å; G68-T72 WeakPolarHBondContact O-CB 3.34Å; G68-T72 PolarHBondContact O-N 2.78Å; G68-T72 PolarHBondContact O-OG1 3.22Å
69	A	90.6	Very high	90.5	Very high	64 Å²	64	84.5 Å²	84.5	53%	0.529	51%	0.511	S	S	.	.	H	α-helix	trans	-65.2	-41.3	175.5	0	0	0	0	112.2	N65 V66 G67 T72 G73	N65-A69 WeakPolarHBondContact O-CB 3.34Å; N65-A69 PolarHBondContact O-N 3.46Å; V66-A69 PolarHBondContact O-N 3.32Å; G67-A69 PolarHBondContact O-N 2.88Å; A69-T72 PolarHBondContact O-N 2.87Å; A69-G73 PolarHBondContact O-N 3.35Å
70	V	94.4	Very high	90.6	Very high	85 Å²	85	88.8 Å²	88.8	52%	0.515	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-48.4	176.7	171	0	0	0	110.9	V66 G67 T72 G73 V74	V66-V70 HydrophobicContact CG1-CG2 4.31Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.41Å; V66-V70 PolarHBondContact O-N 3.36Å; G67-V70 PolarHBondContact O-N 2.92Å; V70-T72 VanDerWaalsContact C-N 3.34Å; V70-T72 PolarHBondContact O-N 3.46Å; V70-G73 PolarHBondContact O-N 3.29Å; V70-V74 HydrophobicContact CG1-CG2 4.34Å; V70-V74 WeakPolarHBondContact O-CG2 3.3Å; V70-V74 PolarHBondContact O-N 2.95Å
71	V	92	Very high	90.5	Very high	93 Å²	93	85.7 Å²	85.7	56%	0.564	52%	0.518	S	S	*	.	H	α-helix	trans	-58	-48.5	177.9	171.2	0	0	0	110.4	G67 G73 V74 T75	G67-V71 WeakPolarHBondContact O-CG2 3.37Å; G67-V71 PolarHBondContact O-N 2.71Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 2.94Å; V71-V74 PolarHBondContact O-N 3.19Å; V71-T75 WeakPolarHBondContact O-CB 3.35Å; V71-T75 PolarHBondContact O-N 2.89Å; V71-T75 PolarHBondContact O-OG1 2.87Å; V71-T75 VanDerWaalsContact O-OG1 3.04Å
72	T	91.4	Very high	90.6	Very high	96 Å²	96	85.4 Å²	85.4	59%	0.589	52%	0.524	S	S	*	.	H	α-helix	trans	-59.9	-42.9	177.9	-56.8	0	0	0	111.7	G68 A69 V70 T75 A76	G68-T72 WeakPolarHBondContact O-CB 3.34Å; G68-T72 PolarHBondContact O-N 2.78Å; G68-T72 PolarHBondContact O-OG1 3.22Å; A69-T72 PolarHBondContact O-N 2.87Å; V70-T72 VanDerWaalsContact C-N 3.34Å; V70-T72 PolarHBondContact O-N 3.46Å; T72-T75 PolarHBondContact O-N 3.49Å; T72-A76 WeakPolarHBondContact O-CB 3.4Å; T72-A76 PolarHBondContact O-N 2.89Å
73	G	91.6	Very high	90.4	Very high	36 Å²	36	85.7 Å²	85.7	37%	0.371	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-47.4	176.4	0	0	0	0	112.6	A69 V70 V71 A76 V77	A69-G73 PolarHBondContact O-N 3.35Å; V70-G73 PolarHBondContact O-N 3.29Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 2.94Å; G73-A76 PolarHBondContact O-N 2.87Å; G73-V77 VanDerWaalsContact O-CG2 3.3Å; G73-V77 WeakPolarHBondContact O-CG2 3.42Å; G73-V77 PolarHBondContact O-N 3.46Å
74	V	94.7	Very high	90	Very high	94 Å²	94	82.5 Å²	82.5	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-44.1	178.2	173.3	0	0	0	111	V70 V71 A76 V77 A78	V70-V74 HydrophobicContact CG1-CG2 4.34Å; V70-V74 WeakPolarHBondContact O-CG2 3.3Å; V70-V74 PolarHBondContact O-N 2.95Å; V71-V74 PolarHBondContact O-N 3.19Å; V74-A76 PolarHBondContact O-N 3.43Å; V74-V77 PolarHBondContact O-N 3.04Å; V74-A78 WeakPolarHBondContact O-CB 3.35Å; V74-A78 PolarHBondContact O-N 3.28Å
75	T	92	Very high	89.5	Confident	69 Å²	69	81.1 Å²	81.1	42%	0.423	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-45.1	175.8	-59.8	0	0	0	111.5	V71 T72 V77 A78 Q79	V71-T75 WeakPolarHBondContact O-CB 3.35Å; V71-T75 PolarHBondContact O-N 2.89Å; V71-T75 PolarHBondContact O-OG1 2.87Å; V71-T75 VanDerWaalsContact O-OG1 3.04Å; T72-T75 PolarHBondContact O-N 3.49Å; T75-V77 PolarHBondContact O-N 2.83Å; T75-A78 PolarHBondContact O-N 2.87Å; T75-Q79 WeakPolarHBondContact O-CG 3.48Å; T75-Q79 PolarHBondContact O-N 2.82Å
76	A	91.7	Very high	88.9	Confident	44 Å²	44	77.4 Å²	77.4	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-39.6	177.7	0	0	0	0	112.4	T72 G73 V74 K80	T72-A76 WeakPolarHBondContact O-CB 3.4Å; T72-A76 PolarHBondContact O-N 2.89Å; G73-A76 PolarHBondContact O-N 2.87Å; V74-A76 PolarHBondContact O-N 3.43Å; A76-K80 WeakPolarHBondContact O-CB 3.15Å; A76-K80 WeakPolarHBondContact O-CG 3.43Å; A76-K80 PolarHBondContact O-N 3.28Å
77	V	92.5	Very high	88.4	Confident	94 Å²	94	76.6 Å²	76.6	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-42.6	175.3	170.2	0	0	0	111.1	G73 V74 T75 K80 T81	G73-V77 VanDerWaalsContact O-CG2 3.3Å; G73-V77 WeakPolarHBondContact O-CG2 3.42Å; G73-V77 PolarHBondContact O-N 3.46Å; V74-V77 PolarHBondContact O-N 3.04Å; T75-V77 PolarHBondContact O-N 2.83Å; V77-K80 PolarHBondContact O-N 3.01Å; V77-T81 WeakPolarHBondContact O-CB 3.44Å; V77-T81 PolarHBondContact O-N 3.46Å; V77-T81 PolarHBondContact O-OG1 2.88Å
78	A	91.3	Very high	87.7	Confident	52 Å²	52	80.2 Å²	80.2	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-46.9	177.2	0	0	0	0	111.5	V74 T75 T81 V82	V74-A78 WeakPolarHBondContact O-CB 3.35Å; V74-A78 PolarHBondContact O-N 3.28Å; T75-A78 PolarHBondContact O-N 2.87Å; A78-T81 WeakPolarHBondContact O-CB 3.35Å; A78-T81 PolarHBondContact O-N 2.87Å; A78-T81 VanDerWaalsContact O-N 3.15Å; A78-V82 WeakPolarHBondContact O-CG2 3.35Å; A78-V82 PolarHBondContact O-N 3.26Å
79	Q	91.4	Very high	86.5	Confident	118 Å²	118	80.6 Å²	80.6	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-59.8	-48.6	176.5	-74.3	176.4	-25.5	0	111.5	T75 T81 V82 E83	T75-Q79 WeakPolarHBondContact O-CG 3.48Å; T75-Q79 PolarHBondContact O-N 2.82Å; Q79-T81 PolarHBondContact O-N 3.47Å; Q79-V82 PolarHBondContact O-N 3.11Å; Q79-E83 WeakPolarHBondContact O-CB 3.46Å; Q79-E83 WeakPolarHBondContact O-CG 3.47Å; Q79-E83 PolarHBondContact O-N 3.38Å
80	K	91.5	Very high	85.3	Confident	157 Å²	157	81 Å²	81	68%	0.683	51%	0.51	S	S	*	.	H	α-helix	trans	-62	-30.6	175.7	-77.7	-167.1	174.4	-166.3	113.5	A76 V77 G84	A76-K80 WeakPolarHBondContact O-CB 3.15Å; A76-K80 WeakPolarHBondContact O-CG 3.43Å; A76-K80 PolarHBondContact O-N 3.28Å; V77-K80 PolarHBondContact O-N 3.01Å; K80-G84 PolarHBondContact O-N 2.95Å
81	T	87.2	Confident	84.1	Confident	89 Å²	89	81 Å²	81	55%	0.546	52%	0.52	S	S	.	.	H	α-helix	trans	-70.7	-43.4	176.7	-58.6	0	0	0	111.1	V77 A78 Q79 G84 A85	V77-T81 WeakPolarHBondContact O-CB 3.44Å; V77-T81 PolarHBondContact O-N 3.46Å; V77-T81 PolarHBondContact O-OG1 2.88Å; A78-T81 WeakPolarHBondContact O-CB 3.35Å; A78-T81 PolarHBondContact O-N 2.87Å; A78-T81 VanDerWaalsContact O-N 3.15Å; Q79-T81 PolarHBondContact O-N 3.47Å; T81-G84 PolarHBondContact O-N 3.34Å; T81-A85 WeakPolarHBondContact O-CB 3.39Å; T81-A85 PolarHBondContact O-N 3.47Å
82	V	87.4	Confident	82.9	Confident	109 Å²	109	81.1 Å²	81.1	66%	0.661	52%	0.521	S	S	*	.	H	α-helix	trans	-65	-44.3	175.4	175.2	0	0	0	110.8	A78 Q79 G84 A85 G86	A78-V82 WeakPolarHBondContact O-CG2 3.35Å; A78-V82 PolarHBondContact O-N 3.26Å; Q79-V82 PolarHBondContact O-N 3.11Å; V82-G84 VanDerWaalsContact C-N 3.35Å; V82-G84 PolarHBondContact O-N 3.04Å; V82-A85 PolarHBondContact O-N 2.76Å; V82-G86 PolarHBondContact O-N 3.37Å
83	E	82	Confident	81.3	Confident	134 Å²	134	79.3 Å²	79.3	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-43.5	174.8	-72.4	174.3	-175.4	0	111.7	Q79 G86 S87	Q79-E83 WeakPolarHBondContact O-CB 3.46Å; Q79-E83 WeakPolarHBondContact O-CG 3.47Å; Q79-E83 PolarHBondContact O-N 3.38Å; E83-G86 PolarHBondContact O-N 2.73Å; E83-S87 VanDerWaalsContact O-CB 3.31Å; E83-S87 WeakPolarHBondContact O-CB 3.38Å; E83-S87 PolarHBondContact O-N 2.93Å
84	G	81.6	Confident	79.5	Confident	30 Å²	30	85.6 Å²	85.6	31%	0.309	54%	0.539	S	S	.	.	H	α-helix	trans	-64	-45.9	176.8	0	0	0	0	112.6	K80 T81 V82 G86 S87 I88	K80-G84 PolarHBondContact O-N 2.95Å; T81-G84 PolarHBondContact O-N 3.34Å; V82-G84 VanDerWaalsContact C-N 3.35Å; V82-G84 PolarHBondContact O-N 3.04Å; G84-G86 VanDerWaalsContact C-N 3.35Å; G84-G86 PolarHBondContact O-N 2.9Å; G84-S87 PolarHBondContact O-N 3.07Å; G84-I88 VanDerWaalsContact O-CG1 3.28Å; G84-I88 WeakPolarHBondContact O-CG1 3.45Å; G84-I88 PolarHBondContact O-N 3.27Å
85	A	77.8	Confident	77.6	Confident	58 Å²	58	85.9 Å²	85.9	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-62.4	-41.9	175.8	0	0	0	0	111.8	T81 V82 I88 A89	T81-A85 WeakPolarHBondContact O-CB 3.39Å; T81-A85 PolarHBondContact O-N 3.47Å; V82-A85 PolarHBondContact O-N 2.76Å; A85-I88 PolarHBondContact O-N 3.15Å; A85-A89 WeakPolarHBondContact O-CB 3.33Å; A85-A89 PolarHBondContact O-N 2.86Å
86	G	74.8	Confident	75.9	Confident	40 Å²	40	90.6 Å²	90.6	41%	0.412	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-40.3	174.4	0	0	0	0	112.7	V82 E83 G84 A89 A90	V82-G86 PolarHBondContact O-N 3.37Å; E83-G86 PolarHBondContact O-N 2.73Å; G84-G86 VanDerWaalsContact C-N 3.35Å; G84-G86 PolarHBondContact O-N 2.9Å; G86-A89 PolarHBondContact O-N 2.86Å; G86-A90 WeakPolarHBondContact O-CB 3.28Å; G86-A90 PolarHBondContact O-N 3.44Å
87	S	79.9	Confident	74.1	Confident	77 Å²	77	97.1 Å²	97.1	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-64.2	-41.2	175.7	-173	0	0	0	111.7	E83 G84 A90 A91	E83-S87 VanDerWaalsContact O-CB 3.31Å; E83-S87 WeakPolarHBondContact O-CB 3.38Å; E83-S87 PolarHBondContact O-N 2.93Å; G84-S87 PolarHBondContact O-N 3.07Å; S87-A90 PolarHBondContact O-N 2.98Å; S87-A91 VanDerWaalsContact O-CB 3.24Å; S87-A91 WeakPolarHBondContact O-CB 3.34Å; S87-A91 PolarHBondContact O-N 3.29Å
88	I	75	Confident	72	Confident	109 Å²	109	99.7 Å²	99.7	56%	0.559	59%	0.586	S	S	*	*	H	α-helix	trans	-66.4	-42.3	175	-64.4	163.1	0	0	110.8	G84 A85 A90 A91 T92	G84-I88 VanDerWaalsContact O-CG1 3.28Å; G84-I88 WeakPolarHBondContact O-CG1 3.45Å; G84-I88 PolarHBondContact O-N 3.27Å; A85-I88 PolarHBondContact O-N 3.15Å; I88-A90 VanDerWaalsContact C-N 3.31Å; I88-A90 PolarHBondContact O-N 2.92Å; I88-A91 PolarHBondContact O-N 3Å; I88-T92 HydrophobicContact CG2-CG2 4.05Å; I88-T92 WeakPolarHBondContact O-CB 3.31Å; I88-T92 WeakPolarHBondContact O-CG2 3.48Å; I88-T92 PolarHBondContact O-N 2.73Å; I88-T92 PolarHBondContact O-OG1 2.92Å
89	A	66	Low	69.9	Low	44 Å²	44	105.6 Å²	105.6	36%	0.364	61%	0.605	S	S	.	*	H	α-helix	trans	-62.6	-38	176.4	0	0	0	0	112.3	A85 G86	A85-A89 WeakPolarHBondContact O-CB 3.33Å; A85-A89 PolarHBondContact O-N 2.86Å; G86-A89 PolarHBondContact O-N 2.86Å
90	A	64.8	Low	67.7	Low	72 Å²	72	108 Å²	108	60%	0.595	62%	0.62	S	S	*	*	H	α-helix	trans	-70	-41.2	174.1	0	0	0	0	112.4	G86 S87 I88	G86-A90 WeakPolarHBondContact O-CB 3.28Å; G86-A90 PolarHBondContact O-N 3.44Å; S87-A90 PolarHBondContact O-N 2.98Å; I88-A90 VanDerWaalsContact C-N 3.31Å; I88-A90 PolarHBondContact O-N 2.92Å
91	A	69.5	Low	65.4	Low	87 Å²	87	103.3 Å²	103.3	72%	0.719	62%	0.617	S	S	*	*	H	α-helix	trans	-74.6	-36.9	-177.2	0	0	0	0	113.2	S87 I88 G93	S87-A91 VanDerWaalsContact O-CB 3.24Å; S87-A91 WeakPolarHBondContact O-CB 3.34Å; S87-A91 PolarHBondContact O-N 3.29Å; I88-A91 PolarHBondContact O-N 3Å; A91-G93 PolarHBondContact O-N 2.86Å
92	T	66.5	Low	63.3	Low	94 Å²	94	107.6 Å²	107.6	58%	0.577	63%	0.628	S	S	*	*	S	Bend	trans	-79.9	-4.5	178.5	56.2	0	0	0	113.3	I88 F94	I88-T92 HydrophobicContact CG2-CG2 4.05Å; I88-T92 WeakPolarHBondContact O-CB 3.31Å; I88-T92 WeakPolarHBondContact O-CG2 3.48Å; I88-T92 PolarHBondContact O-N 2.73Å; I88-T92 PolarHBondContact O-OG1 2.92Å; T92-F94 PolarHBondContact O-N 3.38Å
93	G	57.9	Low	61.2	Low	59 Å²	59	110.1 Å²	110.1	61%	0.608	64%	0.638	S	S	*	*			trans	64.2	10	174.9	0	0	0	0	114.4	A91 V95	A91-G93 PolarHBondContact O-N 2.86Å; G93-V95 PolarHBondContact O-N 3.49Å; G93-V95 VanDerWaalsContact O-N 3.14Å
94	F	54.5	Low	59.4	Low	168 Å²	168	111.1 Å²	111.1	74%	0.737	64%	0.642	S	S	*	*			trans	-81.6	20.2	179.9	-148.8	-96.2	0	0	113	T92 K96	T92-F94 PolarHBondContact O-N 3.38Å; F94-K96 PolarHBondContact O-N 2.88Å
95	V	55.4	Low	57.6	Low	100 Å²	100	118.7 Å²	118.7	61%	0.606	67%	0.67	S	S	*	*			trans	-67.2	88.7	161.8	176.6	0	0	0	106.5	G93 K97	G93-V95 PolarHBondContact O-N 3.49Å; G93-V95 VanDerWaalsContact O-N 3.14Å; V95-K97 HydrophobicContact CG1-CB 4.4Å; V95-K97 PolarHBondContact O-N 3.41Å
96	K	54.7	Low	55.8	Low	167 Å²	167	119.6 Å²	119.6	73%	0.726	68%	0.684	S	S	*	*			trans	-62.5	78.9	171.9	-168.8	169.4	-178.1	178.6	108.1	F94 D98	F94-K96 PolarHBondContact O-N 2.88Å; K96-D98 PolarHBondContact O-N 2.93Å; K96-D98 VanDerWaalsContact O-N 3.08Å
97	K	54.6	Low	54.4	Low	182 Å²	182	121.8 Å²	121.8	79%	0.791	70%	0.698	S	S	*	*			trans	-80.3	31.5	-178.1	-156.8	179.5	178.9	172.9	112	V95	V95-K97 HydrophobicContact CG1-CB 4.4Å; V95-K97 PolarHBondContact O-N 3.41Å
98	D	47.7	Very low	52.7	Low	147 Å²	147	124 Å²	124	79%	0.786	71%	0.711	S	S	*	*			trans	-132.1	36.7	-170.8	-80.5	-31.2	0	0	113.8	K96	K96-D98 PolarHBondContact O-N 2.93Å; K96-D98 VanDerWaalsContact O-N 3.08Å
99	Q	47.5	Very low	51.4	Low	177 Å²	177	128 Å²	128	83%	0.827	73%	0.727	S	S	*	*			trans	-145.5	26.4	159.6	-124	176.6	69.3	0	114.5	G101	Q99-G101 PolarHBondContact O-N 3.27Å
100	L	46.3	Very low	50.1	Low	168 Å²	168	135 Å²	135	88%	0.88	75%	0.753	S	S	*	*			trans	-87.1	47.1	154.6	-80.1	167.1	0	0	109.4	K102	L100-K102 VanDerWaalsContact C-N 3.27Å; L100-K102 PolarHBondContact O-N 3.41Å
101	G	42.3	Very low	49.2	Very low	59 Å²	59	134.6 Å²	134.6	61%	0.608	76%	0.756	S	S	*	*			trans	-70.6	95	157.2	0	0	0	0	106.2	Q99 N103	Q99-G101 PolarHBondContact O-N 3.27Å; G101-N103 PolarHBondContact O-N 3.49Å
102	K	43.7	Very low	48.1	Very low	178 Å²	178	137.9 Å²	137.9	77%	0.774	76%	0.759	S	S	*	*			trans	-50.3	87.1	166.4	-68.3	174.1	173.2	-176.6	109.1	L100	L100-K102 VanDerWaalsContact C-N 3.27Å; L100-K102 PolarHBondContact O-N 3.41Å
103	N	43	Very low	47.3	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	77%	0.773	S	S	*	*			trans	-94.3	93.6	155.8	-76.9	-38.7	0	0	105.1	G101	G101-N103 PolarHBondContact O-N 3.49Å
104	E	44	Very low	46.7	Very low	155 Å²	155	146.9 Å²	146.9	72%	0.724	78%	0.784	S	S	*	*			trans	-53.9	135.7	168.8	-66	169.1	157.8	0	109.5
105	E	43.8	Very low	46.6	Very low	190 Å²	190	146.4 Å²	146.4	89%	0.888	79%	0.789	S	S	*	*			trans	60.7	60.1	144.3	-64.5	176	158.4	0	117.2
106	G	40.7	Very low	46.4	Very low	76 Å²	76	148.9 Å²	148.9	78%	0.784	80%	0.796	S	S	*	*			trans	-105.2	78.7	164.6	0	0	0	0	112.9
107	A	44	Very low	46.4	Very low	86 Å²	86	146 Å²	146	71%	0.711	79%	0.794	S	S	*	*			trans	65.4	131.1	159.2	0	0	0	0	119.8	Q109	A107-Q109 PolarHBondContact O-N 2.9Å; A107-Q109 VanDerWaalsContact O-N 3.12Å
108	P	45.7	Very low	46.5	Very low	125 Å²	125	143.8 Å²	143.8	81%	0.812	80%	0.795	S	S	*	*			trans	-73.4	102.3	169.6	31.1	-29.2	0	0	108.5	E110	P108-E110 PolarHBondContact O-N 2.83Å
109	Q	45.8	Very low	46.9	Very low	191 Å²	191	141.9 Å²	141.9	89%	0.893	79%	0.785	S	S	*	*			trans	-78	103.9	162.8	-95.6	177.9	2.8	0	108.1	A107 G111	A107-Q109 PolarHBondContact O-N 2.9Å; A107-Q109 VanDerWaalsContact O-N 3.12Å; Q109-G111 PolarHBondContact O-N 3.21Å
110	E	40.1	Very low	47.5	Very low	192 Å²	192	138.6 Å²	138.6	90%	0.897	78%	0.779	S	S	*	*			trans	-46.3	101.2	163.1	-67.1	173.1	147.3	0	110	P108	P108-E110 PolarHBondContact O-N 2.83Å
111	G	45.2	Very low	48	Very low	64 Å²	64	137.1 Å²	137.1	66%	0.66	77%	0.772	S	S	*	*			trans	-118.6	79.6	166.6	0	0	0	0	107.6	Q109 L113	Q109-G111 PolarHBondContact O-N 3.21Å; G111-L113 VanDerWaalsContact C-N 3.26Å; G111-L113 PolarHBondContact O-N 2.83Å
112	I	46.3	Very low	48.6	Very low	155 Å²	155	140 Å²	140	80%	0.795	77%	0.773	S	S	*	*			trans	-42.8	84.8	162.6	42.6	159.7	0	0	111.8
113	L	49.3	Very low	49.1	Very low	164 Å²	164	139.7 Å²	139.7	86%	0.859	78%	0.775	S	S	*	*			trans	-103.5	82.8	148.2	-77	157.7	0	0	103.3	G111 D115	G111-L113 VanDerWaalsContact C-N 3.26Å; G111-L113 PolarHBondContact O-N 2.83Å; L113-D115 PolarHBondContact O-N 2.79Å
114	E	45.8	Very low	49.4	Very low	179 Å²	179	135 Å²	135	84%	0.836	76%	0.759	S	S	*	*			trans	-50.8	102	156.6	-73.8	-171.8	159.4	0	105.2	M116	E114-M116 PolarHBondContact O-N 2.72Å
115	D	52.8	Low	50.1	Low	158 Å²	158	138 Å²	138	85%	0.845	77%	0.765	S	S	*	*			trans	-64.7	78	169.1	-160.3	21	0	0	104.7	L113 P117	L113-D115 PolarHBondContact O-N 2.79Å; D115-P117 WeakPolarHBondContact O-CD 3.24Å
116	M	51	Low	50.5	Low	152 Å²	152	137.6 Å²	137.6	75%	0.749	76%	0.763	S	S	*	*			trans	-52	116.5	173.7	176.2	176.2	-111	0	104.4	E114 V118	E114-M116 PolarHBondContact O-N 2.72Å; M116-V118 PolarHBondContact O-N 3.02Å
117	P	54.9	Low	51	Low	106 Å²	106	140.9 Å²	140.9	69%	0.688	76%	0.76	S	S	*	*			trans	-56.3	114	176.5	22.8	-30.8	0	0	105.4	D115 D119	D115-P117 WeakPolarHBondContact O-CD 3.24Å; P117-D119 PolarHBondContact O-N 3.42Å
118	V	56.2	Low	51.6	Low	136 Å²	136	142.3 Å²	142.3	82%	0.824	76%	0.762	S	S	*	*			trans	-65.1	91	169.3	177.8	0	0	0	103.9	M116 P120	M116-V118 PolarHBondContact O-N 3.02Å; V118-P120 WeakPolarHBondContact O-CD 3.4Å; V118-P120 VanDerWaalsContact O-N 3.08Å
119	D	55.5	Low	51.9	Low	106 Å²	106	140.8 Å²	140.8	57%	0.567	75%	0.754	S	S	*	*			trans	-63.1	109.9	178.6	-133.2	-21.8	0	0	105.7	P117 D121 N122	P117-D119 PolarHBondContact O-N 3.42Å; D119-D121 PolarHBondContact O-N 2.87Å; D119-N122 PolarHBondContact O-N 3.29Å; D119-N122 VanDerWaalsContact O-N 3.11Å
120	P	60.5	Low	52.3	Low	109 Å²	109	138.2 Å²	138.2	71%	0.708	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-15.3	-178	27.3	-32.8	0	0	111.4	V118 N122	V118-P120 WeakPolarHBondContact O-CD 3.4Å; V118-P120 VanDerWaalsContact O-N 3.08Å; P120-N122 VanDerWaalsContact C-N 3.3Å
121	D	57.6	Low	52.9	Low	136 Å²	136	137.9 Å²	137.9	73%	0.727	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-2.5	-179.3	-59.6	-3.4	0	0	112.7	D119 E123	D119-D121 PolarHBondContact O-N 2.87Å; D121-E123 PolarHBondContact O-N 2.85Å
122	N	55.1	Low	53.2	Low	119 Å²	119	137.9 Å²	137.9	64%	0.636	74%	0.74	S	S	*	*			trans	-75.5	70.4	167.9	-168.5	66	0	0	109.7	D119 P120 A124	D119-N122 PolarHBondContact O-N 3.29Å; D119-N122 VanDerWaalsContact O-N 3.11Å; P120-N122 VanDerWaalsContact C-N 3.3Å; N122-A124 PolarHBondContact O-N 3.44Å
123	E	53.2	Low	53.4	Low	173 Å²	173	139.3 Å²	139.3	81%	0.808	74%	0.737	S	S	*	*			trans	-66.3	28.4	166.7	-64.4	-174	163.8	0	112.4	D121 Y125	D121-E123 PolarHBondContact O-N 2.85Å; E123-Y125 PolarHBondContact O-N 3.39Å
124	A	50.8	Low	53.5	Low	64 Å²	64	139.8 Å²	139.8	53%	0.529	74%	0.735	S	S	.	*			trans	-77	61.8	163.3	0	0	0	0	108.5	N122 E126	N122-A124 PolarHBondContact O-N 3.44Å; A124-E126 PolarHBondContact O-N 2.91Å
125	Y	58.6	Low	54.1	Low	216 Å²	216	138.2 Å²	138.2	85%	0.847	73%	0.732	S	S	*	*			trans	-57.8	96	148.1	-103.8	-98.2	0	0	105	E123 M127	E123-Y125 PolarHBondContact O-N 3.39Å; Y125-M127 PolarHBondContact O-N 3.34Å
126	E	52.4	Low	54.4	Low	182 Å²	182	140.9 Å²	140.9	85%	0.85	73%	0.732	S	S	*	*			trans	-53.9	100.5	160.5	-83.4	-176	161.1	0	105.4	A124 P128	A124-E126 PolarHBondContact O-N 2.91Å; E126-P128 WeakPolarHBondContact O-CD 3.39Å; E126-P128 VanDerWaalsContact O-N 3.11Å
127	M	50.9	Low	55	Low	146 Å²	146	141.5 Å²	141.5	72%	0.719	73%	0.733	S	S	*	*			trans	-54.8	123	172.1	-62	-159.6	-43.8	0	105.6	Y125 S129	Y125-M127 PolarHBondContact O-N 3.34Å; M127-S129 PolarHBondContact O-N 2.78Å
128	P	55.6	Low	55.5	Low	115 Å²	115	141.8 Å²	141.8	75%	0.747	74%	0.735	S	S	*	*			trans	-53.8	121.7	168.3	21.9	-29.9	0	0	105.7	E126 E130	E126-P128 WeakPolarHBondContact O-CD 3.39Å; E126-P128 VanDerWaalsContact O-N 3.11Å; P128-E130 PolarHBondContact O-N 2.99Å; P128-E130 VanDerWaalsContact O-N 3.13Å
129	S	52.7	Low	55.8	Low	93 Å²	93	144.9 Å²	144.9	65%	0.65	74%	0.74	S	S	*	*			trans	-40.5	122.7	179.1	28.1	0	0	0	109.1	M127 E131	M127-S129 PolarHBondContact O-N 2.78Å; S129-E131 PolarHBondContact O-N 3.14Å
130	E	54.6	Low	56	Low	138 Å²	138	148 Å²	148	65%	0.645	78%	0.782	S	S	*	*	S	Bend	trans	-66.4	25.8	176.7	-65.2	-164.7	151.4	0	112.8	P128 G132 Y133	P128-E130 PolarHBondContact O-N 2.99Å; P128-E130 VanDerWaalsContact O-N 3.13Å; E130-G132 PolarHBondContact O-N 2.75Å; E130-Y133 HydrophobicContact CB-CE2 4.4Å
131	E	52.8	Low	55.8	Low	184 Å²	184	150 Å²	150	86%	0.86	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	65.7	177.2	-66.9	-174.1	-179.6	0	109.6	S129	S129-E131 PolarHBondContact O-N 3.14Å
132	G	49.9	Very low	55.7	Low	64 Å²	64	150.7 Å²	150.7	66%	0.66	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.7	11.2	180	0	0	0	0	115	E130 Q134	E130-G132 PolarHBondContact O-N 2.75Å; G132-Q134 PolarHBondContact O-N 3.08Å
133	Y	51.5	Low	55.7	Low	186 Å²	186	152.5 Å²	152.5	73%	0.729	80%	0.797	S	S	*	*			trans	-71.9	74.7	160.5	-70.4	-85.4	0	0	107.8	E130 D135	E130-Y133 HydrophobicContact CB-CE2 4.4Å; Y133-D135 PolarHBondContact O-N 3.12Å
134	Q	52.2	Low	55.9	Low	173 Å²	173	151.3 Å²	151.3	81%	0.808	80%	0.796	S	S	*	*			trans	-67.5	98.9	155.2	-81.6	-164	-19.8	0	105.6	G132 Y136	G132-Q134 PolarHBondContact O-N 3.08Å; Q134-Y136 VanDerWaalsContact C-N 3.28Å; Q134-Y136 PolarHBondContact O-N 3.24Å
135	D	57.3	Low	56.2	Low	146 Å²	146	156.8 Å²	156.8	78%	0.781	81%	0.813	S	S	*	*			trans	-46.4	98.7	162.5	-73.2	-45.5	0	0	107.9	Y133 E137	Y133-D135 PolarHBondContact O-N 3.12Å; D135-E137 PolarHBondContact O-N 2.79Å
136	Y	59.3	Low	56	Low	214 Å²	214	152.8 Å²	152.8	84%	0.839	81%	0.81	S	S	*	*			trans	-74.4	85.1	172.7	-146.6	-91.3	0	0	105.3	Q134 P138	Q134-Y136 VanDerWaalsContact C-N 3.28Å; Q134-Y136 PolarHBondContact O-N 3.24Å; Y136-P138 WeakPolarHBondContact O-CD 3.39Å; Y136-P138 VanDerWaalsContact O-N 3.14Å
137	E	63.9	Low	56.3	Low	166 Å²	166	150.7 Å²	150.7	78%	0.776	81%	0.808	S	S	*	*			trans	-58	115.9	168.7	-78.5	-166.1	152.7	0	107	D135 E139	D135-E137 PolarHBondContact O-N 2.79Å; E137-E139 PolarHBondContact O-N 3.28Å
138	P	65.1	Low	56.7	Low	112 Å²	112	151.1 Å²	151.1	73%	0.727	81%	0.814	S	S	*	*			trans	-65.7	110.5	173.5	26.6	-30.3	0	0	106.9	Y136 A140	Y136-P138 WeakPolarHBondContact O-CD 3.39Å; Y136-P138 VanDerWaalsContact O-N 3.14Å; P138-A140 PolarHBondContact O-N 3.07Å
139	E	63.5	Low	56.8	Low	200 Å²	200	154.1 Å²	154.1	94%	0.935	82%	0.82	S	S	*	*			trans	-52.3	117.6	165.4	-72.5	-172.5	163.3	0	107.6	E137	E137-E139 PolarHBondContact O-N 3.28Å
140	A	58.6	Low	57.2	Low	173 Å²	173	159.6 Å²	159.6	100%	1.43	84%	0.835	S	S	*	*			trans	-71.3	0	-178.1	0	0	0	0	112.5	P138	P138-A140 PolarHBondContact O-N 3.07Å

Retrieved 140 of 140 residues in 770.6 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).