A0A3Q0KCV6_SCHMA Loading...

Putative troponin I

AlphaFold DB , UniProt , Accession A0A3Q0KCV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.1	Low	67.4	Low	192 Å²	192	110.8 Å²	110.8	95%	0.946	61%	0.608	S	S	*	*				0	-40.5	0	-73.9	-177.8	167.2	0	0	111	D3 E4 E5	M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.2Å; M1-E4 WeakPolarHBondContact O-CB 3.47Å; M1-E4 PolarHBondContact O-N 2.98Å; M1-E5 PolarHBondContact O-N 3.28Å; M1-E5 VanDerWaalsContact O-N 3.17Å
2	S	58.4	Low	68.3	Low	94 Å²	94	111.8 Å²	111.8	66%	0.657	61%	0.605	S	S	*	*	H	α-helix	trans	-56.2	-33.3	178	-54.1	0	0	0	0	115.4	E4 S6	S2-E4 VanDerWaalsContact C-N 3.33Å; S2-S6 WeakPolarHBondContact O-CB 3.44Å; S2-S6 PolarHBondContact O-N 3.34Å
3	D	61.1	Low	69.2	Low	132 Å²	132	112.5 Å²	112.5	71%	0.706	60%	0.602	S	S	*	*	H	α-helix	trans	-75.7	-23.2	177.1	-59.9	-44.5	0	0	0	113.1	M1 Q7	M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.2Å; D3-Q7 WeakPolarHBondContact O-CG 3.34Å; D3-Q7 PolarHBondContact O-N 3.17Å
4	E	59	Low	69.9	Low	127 Å²	127	109.9 Å²	109.9	59%	0.593	60%	0.596	S	S	*	*	H	α-helix	trans	-84.8	-41	-176	-147.9	167.4	-162.8	0	0	110.6	M1 S2 S6 Q7 Q8	M1-E4 WeakPolarHBondContact O-CB 3.47Å; M1-E4 PolarHBondContact O-N 2.98Å; S2-E4 VanDerWaalsContact C-N 3.33Å; E4-S6 VanDerWaalsContact C-N 3.28Å; E4-S6 PolarHBondContact O-N 3.37Å; E4-Q7 PolarHBondContact O-N 3.26Å; E4-Q8 WeakPolarHBondContact O-CG 3.46Å; E4-Q8 PolarHBondContact O-N 3.19Å
5	E	68.5	Low	70.5	Confident	136 Å²	136	110.3 Å²	110.3	64%	0.636	59%	0.593	S	S	*	*	H	α-helix	trans	-60.3	-38.7	168.5	-77.3	-178.3	153	0	0	111.5	M1 Q7 Q8 S9	M1-E5 PolarHBondContact O-N 3.28Å; M1-E5 VanDerWaalsContact O-N 3.17Å; E5-Q7 VanDerWaalsContact C-N 3.34Å; E5-Q7 PolarHBondContact O-N 2.86Å; E5-Q8 PolarHBondContact O-N 2.98Å; E5-S9 VanDerWaalsContact O-CB 3.25Å; E5-S9 WeakPolarHBondContact O-CB 3.33Å; E5-S9 PolarHBondContact O-N 3.37Å
6	S	70.3	Confident	71	Confident	82 Å²	82	111.3 Å²	111.3	57%	0.573	59%	0.593	S	S	*	*	H	α-helix	trans	-69.9	-30.7	179.4	-157.7	0	0	0	0	112.7	S2 E4 S10	S2-S6 WeakPolarHBondContact O-CB 3.44Å; S2-S6 PolarHBondContact O-N 3.34Å; E4-S6 VanDerWaalsContact C-N 3.28Å; E4-S6 PolarHBondContact O-N 3.37Å; S6-S10 PolarHBondContact O-N 3.46Å
7	Q	69.9	Low	71.6	Confident	145 Å²	145	112.9 Å²	112.9	68%	0.678	60%	0.596	S	S	*	*	H	α-helix	trans	-77.2	-39	174	-75.1	-179	3.6	0	0	112.3	D3 E4 E5 S10 S11	D3-Q7 WeakPolarHBondContact O-CG 3.34Å; D3-Q7 PolarHBondContact O-N 3.17Å; E4-Q7 PolarHBondContact O-N 3.26Å; E5-Q7 VanDerWaalsContact C-N 3.34Å; E5-Q7 PolarHBondContact O-N 2.86Å; Q7-S10 PolarHBondContact O-N 2.97Å; Q7-S11 PolarHBondContact O-N 2.9Å
8	Q	69.1	Low	72.3	Confident	120 Å²	120	109.9 Å²	109.9	56%	0.561	59%	0.586	S	S	*	*	H	α-helix	trans	-63.2	-46.5	174.1	-76.9	-179.6	-31.1	0	0	111.3	E4 E5 S10 S11 E12	E4-Q8 WeakPolarHBondContact O-CG 3.46Å; E4-Q8 PolarHBondContact O-N 3.19Å; E5-Q8 PolarHBondContact O-N 2.98Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.34Å; Q8-S11 PolarHBondContact O-N 3.44Å; Q8-E12 WeakPolarHBondContact O-CB 3.33Å; Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 2.95Å
9	S	72.4	Confident	72.9	Confident	56 Å²	56	111.2 Å²	111.2	39%	0.392	59%	0.588	S	S	.	*	H	α-helix	trans	-58.2	-40.4	175.2	177.9	0	0	0	0	112.5	E5 E13	E5-S9 VanDerWaalsContact O-CB 3.25Å; E5-S9 WeakPolarHBondContact O-CB 3.33Å; E5-S9 PolarHBondContact O-N 3.37Å; S9-E13 WeakPolarHBondContact O-CB 3.41Å; S9-E13 WeakPolarHBondContact O-CG 3.36Å; S9-E13 PolarHBondContact O-N 3.08Å
10	S	77.6	Confident	73.4	Confident	72 Å²	72	112.7 Å²	112.7	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-71.8	-32.5	178.6	-174.5	0	0	0	0	112.9	S6 Q7 Q8 S14	S6-S10 PolarHBondContact O-N 3.46Å; Q7-S10 PolarHBondContact O-N 2.97Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.34Å; S10-S14 WeakPolarHBondContact O-CB 3.34Å; S10-S14 PolarHBondContact O-N 3.41Å
11	S	80.8	Confident	74	Confident	63 Å²	63	114.2 Å²	114.2	44%	0.441	60%	0.596	S	S	.	*	H	α-helix	trans	-73.4	-42.1	176.6	-167.2	0	0	0	0	111.2	Q7 Q8 S14 E15	Q7-S11 PolarHBondContact O-N 2.9Å; Q8-S11 PolarHBondContact O-N 3.44Å; S11-S14 PolarHBondContact O-N 3.03Å; S11-E15 WeakPolarHBondContact O-CG 3.33Å; S11-E15 PolarHBondContact O-N 2.93Å
12	E	79.1	Confident	75.6	Confident	122 Å²	122	108.5 Å²	108.5	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-63.5	-44.3	175.2	-76.1	177.8	170.3	0	0	111	Q8 S14 E15 E16	Q8-E12 WeakPolarHBondContact O-CB 3.33Å; Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 2.95Å; E12-S14 VanDerWaalsContact C-N 3.3Å; E12-S14 PolarHBondContact O-N 3.32Å; E12-E15 PolarHBondContact O-N 3.45Å; E12-E16 WeakPolarHBondContact O-CB 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.36Å; E12-E16 PolarHBondContact O-N 3.28Å
13	E	78.8	Confident	76.9	Confident	122 Å²	122	108.6 Å²	108.6	57%	0.57	56%	0.562	S	S	*	*	H	α-helix	trans	-59.3	-39.2	174	-80.7	-178.9	172.2	0	0	112.2	S9 E17	S9-E13 WeakPolarHBondContact O-CB 3.41Å; S9-E13 WeakPolarHBondContact O-CG 3.36Å; S9-E13 PolarHBondContact O-N 3.08Å; E13-E17 VanDerWaalsContact O-CB 3.28Å; E13-E17 WeakPolarHBondContact O-CB 3.4Å; E13-E17 PolarHBondContact O-N 2.91Å
14	S	80.2	Confident	78.3	Confident	75 Å²	75	108.5 Å²	108.5	52%	0.524	56%	0.555	S	S	.	*	H	α-helix	trans	-71.4	-33.4	178.1	-175.8	0	0	0	0	113	S10 S11 E12 S18	S10-S14 WeakPolarHBondContact O-CB 3.34Å; S10-S14 PolarHBondContact O-N 3.41Å; S11-S14 PolarHBondContact O-N 3.03Å; E12-S14 VanDerWaalsContact C-N 3.3Å; E12-S14 PolarHBondContact O-N 3.32Å; S14-S18 WeakPolarHBondContact O-CB 3.49Å; S14-S18 PolarHBondContact O-N 3.06Å
15	E	78.8	Confident	79.8	Confident	117 Å²	117	107.1 Å²	107.1	55%	0.547	55%	0.549	S	S	.	.	H	α-helix	trans	-72.3	-45.9	175	-75.1	-176.5	-176.2	0	0	110.4	S11 E12 E17 S18 E19	S11-E15 WeakPolarHBondContact O-CG 3.33Å; S11-E15 PolarHBondContact O-N 2.93Å; E12-E15 PolarHBondContact O-N 3.45Å; E15-E17 PolarHBondContact O-N 3.39Å; E15-S18 PolarHBondContact O-N 3.24Å; E15-S18 PolarHBondContact O-OG 3.37Å; E15-E19 WeakPolarHBondContact O-CG 3.39Å; E15-E19 PolarHBondContact O-N 3.01Å
16	E	78.6	Confident	80.8	Confident	126 Å²	126	107.6 Å²	107.6	59%	0.589	55%	0.548	S	S	*	.	H	α-helix	trans	-59.1	-44.7	175.4	-75.1	-174.3	171.1	0	0	111.8	E12 S18 E19 E20	E12-E16 WeakPolarHBondContact O-CB 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.36Å; E12-E16 PolarHBondContact O-N 3.28Å; E16-S18 VanDerWaalsContact C-N 3.3Å; E16-S18 PolarHBondContact O-N 3.44Å; E16-E19 PolarHBondContact O-N 3.35Å; E16-E20 WeakPolarHBondContact O-CB 3.31Å; E16-E20 WeakPolarHBondContact O-CG 3.34Å; E16-E20 PolarHBondContact O-N 3.38Å
17	E	80.7	Confident	81.7	Confident	139 Å²	139	110.8 Å²	110.8	65%	0.65	55%	0.548	S	S	*	.	H	α-helix	trans	-63.3	-37.1	177.8	-166.6	173	-159.3	0	0	111.5	E13 E15 E21	E13-E17 VanDerWaalsContact O-CB 3.28Å; E13-E17 WeakPolarHBondContact O-CB 3.4Å; E13-E17 PolarHBondContact O-N 2.91Å; E15-E17 PolarHBondContact O-N 3.39Å; E17-E21 WeakPolarHBondContact O-CB 3.26Å; E17-E21 PolarHBondContact O-N 3.29Å
18	S	83.2	Confident	82.8	Confident	59 Å²	59	109.5 Å²	109.5	41%	0.413	54%	0.542	S	S	.	.	H	α-helix	trans	-69.4	-38.6	175.5	82.5	0	0	0	0	112.6	S14 E15 E16 E21 T22	S14-S18 WeakPolarHBondContact O-CB 3.49Å; S14-S18 PolarHBondContact O-N 3.06Å; E15-S18 PolarHBondContact O-N 3.24Å; E15-S18 PolarHBondContact O-OG 3.37Å; E16-S18 VanDerWaalsContact C-N 3.3Å; E16-S18 PolarHBondContact O-N 3.44Å; S18-E21 PolarHBondContact O-N 3.01Å; S18-T22 VanDerWaalsContact O-CG2 3.24Å; S18-T22 WeakPolarHBondContact O-CG2 3.26Å; S18-T22 PolarHBondContact O-N 3.5Å; S18-T22 PolarHBondContact O-OG1 2.91Å
19	E	83.8	Confident	83.8	Confident	133 Å²	133	109.2 Å²	109.2	62%	0.621	54%	0.539	S	S	*	.	H	α-helix	trans	-68.1	-44.1	176.4	-72.6	-166.6	170.2	0	0	110.9	E15 E16 E21 T22 E23	E15-E19 WeakPolarHBondContact O-CG 3.39Å; E15-E19 PolarHBondContact O-N 3.01Å; E16-E19 PolarHBondContact O-N 3.35Å; E19-E21 VanDerWaalsContact C-N 3.34Å; E19-E21 PolarHBondContact O-N 2.92Å; E19-T22 PolarHBondContact O-N 3.23Å; E19-T22 PolarHBondContact O-OG1 3.05Å; E19-E23 WeakPolarHBondContact O-CB 3.43Å; E19-E23 PolarHBondContact O-N 3.19Å
20	E	84.5	Confident	84.7	Confident	142 Å²	142	112.4 Å²	112.4	66%	0.664	55%	0.548	S	S	*	.	H	α-helix	trans	-60.1	-41.8	174.4	-76.4	-163.4	165.7	0	0	112	E16 E23 K24	E16-E20 WeakPolarHBondContact O-CB 3.31Å; E16-E20 WeakPolarHBondContact O-CG 3.34Å; E16-E20 PolarHBondContact O-N 3.38Å; E20-E23 PolarHBondContact O-N 2.89Å; E20-K24 WeakPolarHBondContact O-CB 3.4Å; E20-K24 PolarHBondContact O-N 2.82Å
21	E	85.6	Confident	85.3	Confident	145 Å²	145	114 Å²	114	68%	0.678	55%	0.547	S	S	*	.	H	α-helix	trans	-64.9	-43.4	177.2	-167.6	173.5	-161.1	0	0	111.4	E17 S18 E19 E23 K24 E25	E17-E21 WeakPolarHBondContact O-CB 3.26Å; E17-E21 PolarHBondContact O-N 3.29Å; S18-E21 PolarHBondContact O-N 3.01Å; E19-E21 VanDerWaalsContact C-N 3.34Å; E19-E21 PolarHBondContact O-N 2.92Å; E21-E23 PolarHBondContact O-N 3.29Å; E21-K24 PolarHBondContact O-N 3.43Å; E21-E25 WeakPolarHBondContact O-CB 3.28Å; E21-E25 PolarHBondContact O-N 2.96Å
22	T	86.7	Confident	85.8	Confident	71 Å²	71	115.4 Å²	115.4	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-68.1	-34.3	177.1	66.8	0	0	0	0	112.9	S18 E19 K26	S18-T22 VanDerWaalsContact O-CG2 3.24Å; S18-T22 WeakPolarHBondContact O-CG2 3.26Å; S18-T22 PolarHBondContact O-N 3.5Å; S18-T22 PolarHBondContact O-OG1 2.91Å; E19-T22 PolarHBondContact O-N 3.23Å; E19-T22 PolarHBondContact O-OG1 3.05Å; T22-K26 WeakPolarHBondContact O-CB 3.39Å; T22-K26 WeakPolarHBondContact O-CG 3.39Å; T22-K26 PolarHBondContact O-N 3.38Å; T22-K26 VanDerWaalsContact O-N 3.09Å
23	E	86.6	Confident	86.4	Confident	97 Å²	97	117.2 Å²	117.2	45%	0.453	55%	0.548	S	S	.	.	H	α-helix	trans	-71	-41.8	176.1	-155.2	-163.2	164.2	0	0	110.8	E19 E20 E21 K26 R27	E19-E23 WeakPolarHBondContact O-CB 3.43Å; E19-E23 PolarHBondContact O-N 3.19Å; E20-E23 PolarHBondContact O-N 2.89Å; E21-E23 PolarHBondContact O-N 3.29Å; E23-K26 PolarHBondContact O-N 2.83Å; E23-R27 WeakPolarHBondContact O-CB 3.49Å; E23-R27 VanDerWaalsContact O-CG 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.41Å; E23-R27 PolarHBondContact O-N 3.38Å; E23-R27 IonicContact OE1-CZ 3.98Å; E23-R27 IonicContact OE1-NE 2.65Å; E23-R27 PolarHBondContact OE1-NE 2.93Å; E23-R27 VanDerWaalsContact OE1-NE 3.09Å; E23-R27 IonicContact OE1-NH2 2.6Å; E23-R27 PolarHBondContact OE1-NH2 3.39Å; E23-R27 IonicContact OE2-NH2 3.35Å
24	K	90	Very high	87	Confident	130 Å²	130	119.6 Å²	119.6	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-62.3	-43.7	175.1	-171.9	179.5	176.7	-173.2	0	111.6	E20 E21 K26 R27 E28	E20-K24 WeakPolarHBondContact O-CB 3.4Å; E20-K24 PolarHBondContact O-N 2.82Å; E21-K24 PolarHBondContact O-N 3.43Å; K24-K26 PolarHBondContact O-N 3.49Å; K24-R27 PolarHBondContact O-N 2.92Å; K24-E28 WeakPolarHBondContact O-CB 3.4Å; K24-E28 WeakPolarHBondContact O-CG 2.85Å; K24-E28 PolarHBondContact O-N 3.18Å
25	E	89.7	Confident	87.5	Confident	98 Å²	98	123.8 Å²	123.8	46%	0.458	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-40.6	176.2	-165.3	-165.1	169.6	0	0	111.8	E21 E28 K29	E21-E25 WeakPolarHBondContact O-CB 3.28Å; E21-E25 PolarHBondContact O-N 2.96Å; E25-E28 PolarHBondContact O-N 3.16Å; E25-K29 HydrophobicContact CG-CD 4.39Å; E25-K29 WeakPolarHBondContact O-CB 3.34Å; E25-K29 WeakPolarHBondContact O-CG 3.38Å; E25-K29 PolarHBondContact O-N 3.38Å; E25-K29 VanDerWaalsContact OE1-CE 3.3Å; E25-K29 WeakPolarHBondContact OE1-CE 3.48Å; E25-K29 IonicContact OE1-NZ 2.63Å; E25-K29 PolarHBondContact OE1-NZ 2.89Å
26	K	90	Very high	88.1	Confident	145 Å²	145	125 Å²	125	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-63.6	-44.1	174.6	-79.3	174.2	-177.4	166.6	0	111.7	T22 E23 K24 K29 E30	T22-K26 WeakPolarHBondContact O-CB 3.39Å; T22-K26 WeakPolarHBondContact O-CG 3.39Å; T22-K26 PolarHBondContact O-N 3.38Å; T22-K26 VanDerWaalsContact O-N 3.09Å; E23-K26 PolarHBondContact O-N 2.83Å; K24-K26 PolarHBondContact O-N 3.49Å; K26-K29 PolarHBondContact O-N 3.48Å; K26-E30 WeakPolarHBondContact O-CB 2.97Å; K26-E30 PolarHBondContact O-N 3.02Å
27	R	90.7	Very high	88.6	Confident	150 Å²	150	124.4 Å²	124.4	57%	0.566	55%	0.553	S	S	*	*	H	α-helix	trans	-63.4	-43.5	176.7	-72.7	175.4	-177.3	-167.4	4.8	111.5	E23 K24 E30 E31	E23-R27 WeakPolarHBondContact O-CB 3.49Å; E23-R27 VanDerWaalsContact O-CG 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.41Å; E23-R27 PolarHBondContact O-N 3.38Å; E23-R27 IonicContact OE1-CZ 3.98Å; E23-R27 IonicContact OE1-NE 2.65Å; E23-R27 PolarHBondContact OE1-NE 2.93Å; E23-R27 VanDerWaalsContact OE1-NE 3.09Å; E23-R27 IonicContact OE1-NH2 2.6Å; E23-R27 PolarHBondContact OE1-NH2 3.39Å; E23-R27 IonicContact OE2-NH2 3.35Å; K24-R27 PolarHBondContact O-N 2.92Å; R27-E30 PolarHBondContact O-N 3.2Å; R27-E31 WeakPolarHBondContact O-CB 3.28Å; R27-E31 PolarHBondContact O-N 2.84Å
28	E	91.7	Very high	89.1	Confident	117 Å²	117	123.3 Å²	123.3	55%	0.547	55%	0.548	S	S	.	.	H	α-helix	trans	-64.2	-43.6	176.2	-76.9	-176.1	-176.4	0	0	112.2	K24 E25 E30 E31 E32	K24-E28 WeakPolarHBondContact O-CB 3.4Å; K24-E28 WeakPolarHBondContact O-CG 2.85Å; K24-E28 PolarHBondContact O-N 3.18Å; E25-E28 PolarHBondContact O-N 3.16Å; E28-E30 PolarHBondContact O-N 3.45Å; E28-E31 PolarHBondContact O-N 3.47Å; E28-E32 WeakPolarHBondContact O-CB 3.37Å; E28-E32 PolarHBondContact O-N 3.29Å
29	K	91	Very high	89.5	Confident	114 Å²	114	127.1 Å²	127.1	50%	0.496	56%	0.559	S	S	.	*	H	α-helix	trans	-63.1	-39.9	174.4	-81.6	172.6	172.4	163.7	0	112.3	E25 K26 R33	E25-K29 HydrophobicContact CG-CD 4.39Å; E25-K29 WeakPolarHBondContact O-CB 3.34Å; E25-K29 WeakPolarHBondContact O-CG 3.38Å; E25-K29 PolarHBondContact O-N 3.38Å; E25-K29 VanDerWaalsContact OE1-CE 3.3Å; E25-K29 WeakPolarHBondContact OE1-CE 3.48Å; E25-K29 IonicContact OE1-NZ 2.63Å; E25-K29 PolarHBondContact OE1-NZ 2.89Å; K26-K29 PolarHBondContact O-N 3.48Å; K29-R33 WeakPolarHBondContact O-CB 3.39Å; K29-R33 VanDerWaalsContact O-CG 3.29Å; K29-R33 WeakPolarHBondContact O-CG 3.49Å; K29-R33 PolarHBondContact O-N 2.81Å
30	E	89.7	Confident	90	Very high	124 Å²	124	123.9 Å²	123.9	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-67.7	-44.5	176.7	-172.4	176.7	169	0	0	111.5	K26 R27 E28 E32 R33 R34	K26-E30 WeakPolarHBondContact O-CB 2.97Å; K26-E30 PolarHBondContact O-N 3.02Å; R27-E30 PolarHBondContact O-N 3.2Å; E28-E30 PolarHBondContact O-N 3.45Å; E30-E32 PolarHBondContact O-N 2.99Å; E30-R33 PolarHBondContact O-N 3.18Å; E30-R34 WeakPolarHBondContact O-CG 3.47Å; E30-R34 PolarHBondContact O-N 3.4Å
31	E	91.6	Very high	90.4	Very high	104 Å²	104	119.5 Å²	119.5	49%	0.486	54%	0.537	S	S	.	.	H	α-helix	trans	-60.4	-44.4	174.1	-81.5	-161.3	-170.3	0	0	112.1	R27 E28 R33 R34 R35	R27-E31 WeakPolarHBondContact O-CB 3.28Å; R27-E31 PolarHBondContact O-N 2.84Å; E28-E31 PolarHBondContact O-N 3.47Å; E31-R33 VanDerWaalsContact C-N 3.33Å; E31-R33 PolarHBondContact O-N 2.83Å; E31-R34 PolarHBondContact O-N 3.21Å; E31-R35 WeakPolarHBondContact O-CB 3.5Å; E31-R35 VanDerWaalsContact O-CG 3.3Å; E31-R35 WeakPolarHBondContact O-CG 3.46Å; E31-R35 PolarHBondContact O-N 3.06Å; E31-R35 IonicContact OE2-CZ 3.52Å; E31-R35 IonicContact OE2-NE 2.65Å; E31-R35 IonicContact OE2-NH2 3.21Å; E31-R35 PolarHBondContact OE2-NH2 3.39Å
32	E	91.8	Very high	90.7	Very high	93 Å²	93	116.3 Å²	116.3	44%	0.435	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-42.3	177.8	-170.3	-176.4	-163.2	0	0	111.1	E28 E30 R35 R36	E28-E32 WeakPolarHBondContact O-CB 3.37Å; E28-E32 PolarHBondContact O-N 3.29Å; E30-E32 PolarHBondContact O-N 2.99Å; E32-R35 PolarHBondContact O-N 3.44Å; E32-R36 VanDerWaalsContact CD-NH2 3.28Å; E32-R36 WeakPolarHBondContact O-CB 3.33Å; E32-R36 VanDerWaalsContact O-CG 3.31Å; E32-R36 WeakPolarHBondContact O-CG 3.44Å; E32-R36 PolarHBondContact O-N 3.03Å; E32-R36 IonicContact OE1-CZ 3.43Å; E32-R36 VanDerWaalsContact OE1-CZ 3.27Å; E32-R36 IonicContact OE1-NE 2.68Å; E32-R36 PolarHBondContact OE1-NE 2.91Å; E32-R36 IonicContact OE1-NH2 2.66Å; E32-R36 PolarHBondContact OE1-NH2 3.18Å; E32-R36 IonicContact OE2-NH2 3.11Å
33	R	91	Very high	91	Very high	161 Å²	161	117.5 Å²	117.5	61%	0.608	52%	0.522	S	S	*	.	H	α-helix	trans	-61.2	-45	174.1	-77.3	-171.5	66	-163.3	-7.3	111.9	K29 E30 E31 R36 E37	K29-R33 WeakPolarHBondContact O-CB 3.39Å; K29-R33 VanDerWaalsContact O-CG 3.29Å; K29-R33 WeakPolarHBondContact O-CG 3.49Å; K29-R33 PolarHBondContact O-N 2.81Å; E30-R33 PolarHBondContact O-N 3.18Å; E31-R33 VanDerWaalsContact C-N 3.33Å; E31-R33 PolarHBondContact O-N 2.83Å; R33-R36 PolarHBondContact O-N 2.99Å; R33-E37 IonicContact NH2-OE1 2.88Å; R33-E37 WeakPolarHBondContact O-CB 3.34Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 2.91Å
34	R	90.9	Very high	91.2	Very high	171 Å²	171	120.9 Å²	120.9	65%	0.645	53%	0.531	S	S	*	.	H	α-helix	trans	-62.8	-43.1	177.2	-72.2	-176.6	75.7	-169.2	2.2	111.7	E30 E31 E37 E38	E30-R34 WeakPolarHBondContact O-CG 3.47Å; E30-R34 PolarHBondContact O-N 3.4Å; E31-R34 PolarHBondContact O-N 3.21Å; R34-E37 PolarHBondContact O-N 3.31Å; R34-E38 WeakPolarHBondContact O-CB 3.34Å; R34-E38 PolarHBondContact O-N 2.92Å
35	R	91.3	Very high	91.3	Very high	163 Å²	163	121.2 Å²	121.2	62%	0.615	53%	0.534	S	S	*	.	H	α-helix	trans	-62	-44.6	176.2	-71.3	177	-163.4	-162.8	9	111.9	E31 E32 E38 E39	E31-R35 WeakPolarHBondContact O-CB 3.5Å; E31-R35 VanDerWaalsContact O-CG 3.3Å; E31-R35 WeakPolarHBondContact O-CG 3.46Å; E31-R35 PolarHBondContact O-N 3.06Å; E31-R35 IonicContact OE2-CZ 3.52Å; E31-R35 IonicContact OE2-NE 2.65Å; E31-R35 IonicContact OE2-NH2 3.21Å; E31-R35 PolarHBondContact OE2-NH2 3.39Å; E32-R35 PolarHBondContact O-N 3.44Å; R35-E38 PolarHBondContact O-N 3.42Å; R35-E39 WeakPolarHBondContact O-CB 3.21Å; R35-E39 PolarHBondContact O-N 2.77Å
36	R	90.7	Very high	91.4	Very high	144 Å²	144	124.6 Å²	124.6	54%	0.543	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-42.8	176.4	-72	175.3	-176.5	-175	2.2	112	E32 R33 E39 V40	E32-R36 VanDerWaalsContact CD-NH2 3.28Å; E32-R36 WeakPolarHBondContact O-CB 3.33Å; E32-R36 VanDerWaalsContact O-CG 3.31Å; E32-R36 WeakPolarHBondContact O-CG 3.44Å; E32-R36 PolarHBondContact O-N 3.03Å; E32-R36 IonicContact OE1-CZ 3.43Å; E32-R36 VanDerWaalsContact OE1-CZ 3.27Å; E32-R36 IonicContact OE1-NE 2.68Å; E32-R36 PolarHBondContact OE1-NE 2.91Å; E32-R36 IonicContact OE1-NH2 2.66Å; E32-R36 PolarHBondContact OE1-NH2 3.18Å; E32-R36 IonicContact OE2-NH2 3.11Å; R33-R36 PolarHBondContact O-N 2.99Å; R36-E39 PolarHBondContact O-N 3.4Å; R36-V40 WeakPolarHBondContact O-CB 3.34Å; R36-V40 VanDerWaalsContact O-CG2 3.27Å; R36-V40 WeakPolarHBondContact O-CG2 3.37Å; R36-V40 PolarHBondContact O-N 3.42Å
37	E	89.1	Confident	91.5	Very high	113 Å²	113	123.3 Å²	123.3	53%	0.528	54%	0.537	S	S	.	.	H	α-helix	trans	-64.7	-39.9	176.7	-77	177.3	-168.8	0	0	111.7	R33 R34 A41	R33-E37 IonicContact NH2-OE1 2.88Å; R33-E37 WeakPolarHBondContact O-CB 3.34Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 2.91Å; R34-E37 PolarHBondContact O-N 3.31Å; E37-A41 WeakPolarHBondContact O-CB 3.37Å; E37-A41 PolarHBondContact O-N 3.18Å
38	E	91.1	Very high	91.6	Very high	116 Å²	116	121.2 Å²	121.2	54%	0.542	54%	0.537	S	S	.	.	H	α-helix	trans	-66.6	-43.4	175.8	-167.9	178.3	172	0	0	112	R34 R35 V40 A41 Q42	R34-E38 WeakPolarHBondContact O-CB 3.34Å; R34-E38 PolarHBondContact O-N 2.92Å; R35-E38 PolarHBondContact O-N 3.42Å; E38-V40 PolarHBondContact O-N 3.15Å; E38-A41 PolarHBondContact O-N 2.91Å; E38-Q42 HydrophobicContact CG-CG 4.49Å; E38-Q42 WeakPolarHBondContact O-CB 3.35Å; E38-Q42 WeakPolarHBondContact O-CG 3.49Å; E38-Q42 PolarHBondContact O-N 2.87Å; E38-Q42 PolarHBondContact OE1-NE2 2.96Å
39	E	92.2	Very high	91.5	Very high	139 Å²	139	122.3 Å²	122.3	65%	0.65	54%	0.542	S	S	*	.	H	α-helix	trans	-60.9	-45.4	176.2	-172.1	-179.2	177	0	0	111.5	R35 R36 A41 Q42 E43	R35-E39 WeakPolarHBondContact O-CB 3.21Å; R35-E39 PolarHBondContact O-N 2.77Å; R36-E39 PolarHBondContact O-N 3.4Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 3.5Å; E39-Q42 PolarHBondContact O-N 3.36Å; E39-E43 WeakPolarHBondContact O-CB 3.29Å; E39-E43 PolarHBondContact O-N 2.89Å
40	V	94.6	Very high	91.4	Very high	65 Å²	65	121.6 Å²	121.6	39%	0.394	54%	0.54	S	S	.	.	H	α-helix	trans	-63.8	-38.6	176.1	171.6	0	0	0	0	111.2	R36 E38 R44	R36-V40 WeakPolarHBondContact O-CB 3.34Å; R36-V40 VanDerWaalsContact O-CG2 3.27Å; R36-V40 WeakPolarHBondContact O-CG2 3.37Å; R36-V40 PolarHBondContact O-N 3.42Å; E38-V40 PolarHBondContact O-N 3.15Å; V40-R44 WeakPolarHBondContact O-CB 3.34Å; V40-R44 WeakPolarHBondContact O-CG 3.36Å; V40-R44 PolarHBondContact O-N 3.28Å
41	A	93.3	Very high	91.5	Very high	50 Å²	50	121.7 Å²	121.7	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-43	176.1	0	0	0	0	0	111.9	E37 E38 E39 R44 Q45	E37-A41 WeakPolarHBondContact O-CB 3.37Å; E37-A41 PolarHBondContact O-N 3.18Å; E38-A41 PolarHBondContact O-N 2.91Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 3.5Å; A41-R44 PolarHBondContact O-N 2.89Å; A41-Q45 PolarHBondContact O-N 3.43Å
42	Q	91.9	Very high	91.4	Very high	77 Å²	77	123.8 Å²	123.8	36%	0.36	55%	0.546	S	S	.	.	H	α-helix	trans	-65.2	-42.9	175.9	-72.5	-172.6	30.5	0	0	111.7	E38 E39 R44 Q45 R46	E38-Q42 HydrophobicContact CG-CG 4.49Å; E38-Q42 WeakPolarHBondContact O-CB 3.35Å; E38-Q42 WeakPolarHBondContact O-CG 3.49Å; E38-Q42 PolarHBondContact O-N 2.87Å; E38-Q42 PolarHBondContact OE1-NE2 2.96Å; E39-Q42 PolarHBondContact O-N 3.36Å; Q42-R44 VanDerWaalsContact C-N 3.33Å; Q42-R44 PolarHBondContact O-N 3.4Å; Q42-Q45 PolarHBondContact O-N 3.31Å; Q42-R46 WeakPolarHBondContact O-CB 3.44Å; Q42-R46 WeakPolarHBondContact O-CG 3.24Å; Q42-R46 PolarHBondContact O-N 2.91Å
43	E	92.5	Very high	91.1	Very high	96 Å²	96	128.4 Å²	128.4	45%	0.449	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-41.8	176.3	-164.4	-161	174.5	0	0	111.2	E39 R46 K47	E39-E43 WeakPolarHBondContact O-CB 3.29Å; E39-E43 PolarHBondContact O-N 2.89Å; E43-R46 PolarHBondContact O-N 2.65Å; E43-K47 WeakPolarHBondContact O-CB 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.23Å; E43-K47 PolarHBondContact O-N 3.43Å; E43-K47 WeakPolarHBondContact OE1-CE 3.08Å; E43-K47 IonicContact OE1-NZ 3.4Å; E43-K47 PolarHBondContact OE1-NZ 3.38Å; E43-K47 IonicContact OE2-NZ 3.6Å
44	R	91.8	Very high	90.9	Very high	169 Å²	169	126.5 Å²	126.5	64%	0.638	56%	0.556	S	S	*	*	H	α-helix	trans	-62.2	-44.6	174.1	-75.8	174.1	-178.1	-151.3	2.9	111.7	V40 A41 Q42 K47 L48	V40-R44 WeakPolarHBondContact O-CB 3.34Å; V40-R44 WeakPolarHBondContact O-CG 3.36Å; V40-R44 PolarHBondContact O-N 3.28Å; A41-R44 PolarHBondContact O-N 2.89Å; Q42-R44 VanDerWaalsContact C-N 3.33Å; Q42-R44 PolarHBondContact O-N 3.4Å; R44-K47 PolarHBondContact O-N 3.24Å; R44-L48 WeakPolarHBondContact O-CB 3.27Å; R44-L48 VanDerWaalsContact O-CG 3.25Å; R44-L48 WeakPolarHBondContact O-CG 3.38Å; R44-L48 PolarHBondContact O-N 3.28Å
45	Q	90.2	Very high	90.6	Very high	137 Å²	137	123.2 Å²	123.2	64%	0.64	55%	0.548	S	S	*	.	H	α-helix	trans	-62.7	-45.2	176.1	-80.1	-172.8	-9.1	0	0	111.8	A41 Q42 K47 L48 E49	A41-Q45 PolarHBondContact O-N 3.43Å; Q42-Q45 PolarHBondContact O-N 3.31Å; Q45-K47 PolarHBondContact O-N 2.87Å; Q45-L48 PolarHBondContact O-N 3.47Å; Q45-E49 WeakPolarHBondContact O-CB 3.34Å; Q45-E49 PolarHBondContact O-N 3.42Å
46	R	91.9	Very high	90.2	Very high	168 Å²	168	118.3 Å²	118.3	63%	0.634	54%	0.542	S	S	*	.	H	α-helix	trans	-60.1	-44	176.2	-72.2	177.8	-170.3	-177.6	7	111.9	Q42 E43 L48 E49 E50	Q42-R46 WeakPolarHBondContact O-CB 3.44Å; Q42-R46 WeakPolarHBondContact O-CG 3.24Å; Q42-R46 PolarHBondContact O-N 2.91Å; E43-R46 PolarHBondContact O-N 2.65Å; R46-L48 PolarHBondContact O-N 2.97Å; R46-E49 PolarHBondContact O-N 3.04Å; R46-E50 VanDerWaalsContact O-CB 3.27Å; R46-E50 WeakPolarHBondContact O-CB 3.27Å; R46-E50 PolarHBondContact O-N 3.39Å
47	K	93.4	Very high	89.6	Confident	119 Å²	119	116 Å²	116	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-40.4	175.9	-78.1	177.8	-177.3	164.5	0	112.2	E43 R44 Q45 K51	E43-K47 WeakPolarHBondContact O-CB 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.23Å; E43-K47 PolarHBondContact O-N 3.43Å; E43-K47 WeakPolarHBondContact OE1-CE 3.08Å; E43-K47 IonicContact OE1-NZ 3.4Å; E43-K47 PolarHBondContact OE1-NZ 3.38Å; E43-K47 IonicContact OE2-NZ 3.6Å; R44-K47 PolarHBondContact O-N 3.24Å; Q45-K47 PolarHBondContact O-N 2.87Å; K47-K51 VanDerWaalsContact O-CB 3.23Å; K47-K51 WeakPolarHBondContact O-CB 3.47Å; K47-K51 PolarHBondContact O-N 2.92Å
48	L	91.7	Very high	89.1	Confident	106 Å²	106	115.6 Å²	115.6	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-67.6	-40.9	176.9	-72.7	170.3	0	0	0	111.7	R44 Q45 R46 K52	R44-L48 WeakPolarHBondContact O-CB 3.27Å; R44-L48 VanDerWaalsContact O-CG 3.25Å; R44-L48 WeakPolarHBondContact O-CG 3.38Å; R44-L48 PolarHBondContact O-N 3.28Å; Q45-L48 PolarHBondContact O-N 3.47Å; R46-L48 PolarHBondContact O-N 2.97Å; L48-K52 WeakPolarHBondContact O-CB 3.27Å; L48-K52 WeakPolarHBondContact O-CG 3.36Å; L48-K52 PolarHBondContact O-N 2.85Å
49	E	89.3	Confident	88.5	Confident	139 Å²	139	112.4 Å²	112.4	65%	0.65	53%	0.529	S	S	*	.	H	α-helix	trans	-69.6	-43	177.5	-168.9	178.2	-177.1	0	0	111.9	Q45 R46 K51 K52 R53	Q45-E49 WeakPolarHBondContact O-CB 3.34Å; Q45-E49 PolarHBondContact O-N 3.42Å; R46-E49 PolarHBondContact O-N 3.04Å; E49-K51 VanDerWaalsContact C-N 3.33Å; E49-K51 PolarHBondContact O-N 2.99Å; E49-K52 PolarHBondContact O-N 3.44Å; E49-R53 WeakPolarHBondContact O-CB 3.39Å; E49-R53 PolarHBondContact O-N 3.28Å
50	E	90.2	Very high	87.5	Confident	100 Å²	100	108.3 Å²	108.3	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-41.4	174.9	-168	-168.6	167.5	0	0	111	R46 R53 K54	R46-E50 VanDerWaalsContact O-CB 3.27Å; R46-E50 WeakPolarHBondContact O-CB 3.27Å; R46-E50 PolarHBondContact O-N 3.39Å; E50-R53 PolarHBondContact O-N 2.94Å; E50-K54 HydrophobicContact CG-CD 4.41Å; E50-K54 WeakPolarHBondContact O-CB 3.32Å; E50-K54 WeakPolarHBondContact O-CG 3.33Å; E50-K54 PolarHBondContact O-N 2.87Å; E50-K54 WeakPolarHBondContact OE1-CE 3.5Å; E50-K54 IonicContact OE1-NZ 2.77Å; E50-K54 PolarHBondContact OE1-NZ 2.81Å
51	K	91.1	Very high	86.3	Confident	125 Å²	125	111.5 Å²	111.5	54%	0.543	53%	0.525	S	S	.	.	H	α-helix	trans	-62.3	-47.1	173.8	-175.6	178.1	173.3	-177.2	0	111.3	K47 E49 R53 K54 E55	K47-K51 VanDerWaalsContact O-CB 3.23Å; K47-K51 WeakPolarHBondContact O-CB 3.47Å; K47-K51 PolarHBondContact O-N 2.92Å; E49-K51 VanDerWaalsContact C-N 3.33Å; E49-K51 PolarHBondContact O-N 2.99Å; K51-R53 VanDerWaalsContact C-N 3.32Å; K51-R53 PolarHBondContact O-N 2.66Å; K51-K54 PolarHBondContact O-N 3.36Å; K51-E55 WeakPolarHBondContact CE-OE1 3.43Å; K51-E55 WeakPolarHBondContact O-CB 3.26Å; K51-E55 VanDerWaalsContact O-CG 3.31Å; K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 2.82Å
52	K	89.8	Confident	84.8	Confident	148 Å²	148	116.6 Å²	116.6	64%	0.643	54%	0.538	S	S	*	.	H	α-helix	trans	-61.4	-38.7	175.5	-77.6	179.1	178.9	-178.8	0	112.1	L48 E49 E55 A56	L48-K52 WeakPolarHBondContact O-CB 3.27Å; L48-K52 WeakPolarHBondContact O-CG 3.36Å; L48-K52 PolarHBondContact O-N 2.85Å; E49-K52 PolarHBondContact O-N 3.44Å; K52-E55 PolarHBondContact O-N 3.25Å; K52-A56 VanDerWaalsContact O-CB 3.23Å; K52-A56 WeakPolarHBondContact O-CB 3.33Å; K52-A56 PolarHBondContact O-N 3.45Å
53	R	84.5	Confident	83.1	Confident	191 Å²	191	121 Å²	121	72%	0.721	56%	0.558	S	S	*	*	H	α-helix	trans	-67.3	-43.6	176.9	-172.8	177.1	174.7	-173.2	-0.9	111.5	E49 E50 K51 A56 E57	E49-R53 WeakPolarHBondContact O-CB 3.39Å; E49-R53 PolarHBondContact O-N 3.28Å; E50-R53 PolarHBondContact O-N 2.94Å; K51-R53 VanDerWaalsContact C-N 3.32Å; K51-R53 PolarHBondContact O-N 2.66Å; R53-A56 PolarHBondContact O-N 3.13Å; R53-E57 VanDerWaalsContact O-CB 3.32Å; R53-E57 WeakPolarHBondContact O-CB 3.26Å; R53-E57 PolarHBondContact O-N 2.99Å
54	K	87.1	Confident	81	Confident	121 Å²	121	126 Å²	126	53%	0.526	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-43.3	173.7	-74.9	175.7	-177.6	170	0	111.5	E50 K51 E57 E58	E50-K54 HydrophobicContact CG-CD 4.41Å; E50-K54 WeakPolarHBondContact O-CB 3.32Å; E50-K54 WeakPolarHBondContact O-CG 3.33Å; E50-K54 PolarHBondContact O-N 2.87Å; E50-K54 WeakPolarHBondContact OE1-CE 3.5Å; E50-K54 IonicContact OE1-NZ 2.77Å; E50-K54 PolarHBondContact OE1-NZ 2.81Å; K51-K54 PolarHBondContact O-N 3.36Å; K54-E57 PolarHBondContact O-N 3.4Å; K54-E58 WeakPolarHBondContact O-CB 3.47Å; K54-E58 PolarHBondContact O-N 3.36Å
55	E	84.7	Confident	78.8	Confident	101 Å²	101	125.3 Å²	125.3	47%	0.472	57%	0.574	S	S	.	*	H	α-helix	trans	-65.9	-41.2	176.6	-74.4	175.4	-179.6	0	0	112	K51 K52 E58 A59	K51-E55 WeakPolarHBondContact CE-OE1 3.43Å; K51-E55 WeakPolarHBondContact O-CB 3.26Å; K51-E55 VanDerWaalsContact O-CG 3.31Å; K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 2.82Å; K52-E55 PolarHBondContact O-N 3.25Å; E55-E58 PolarHBondContact O-N 3.06Å; E55-A59 VanDerWaalsContact O-CB 3.23Å; E55-A59 WeakPolarHBondContact O-CB 3.23Å; E55-A59 PolarHBondContact O-N 3.03Å
56	A	82.6	Confident	76.8	Confident	61 Å²	61	125.1 Å²	125.1	50%	0.504	59%	0.585	S	S	.	*	H	α-helix	trans	-67.5	-39.1	175.6	0	0	0	0	0	112.3	K52 R53 A59 S60	K52-A56 VanDerWaalsContact O-CB 3.23Å; K52-A56 WeakPolarHBondContact O-CB 3.33Å; K52-A56 PolarHBondContact O-N 3.45Å; R53-A56 PolarHBondContact O-N 3.13Å; A56-A59 PolarHBondContact O-N 3.31Å; A56-S60 VanDerWaalsContact O-CB 3.23Å; A56-S60 WeakPolarHBondContact O-CB 3.36Å; A56-S60 PolarHBondContact O-N 3.49Å
57	E	79.6	Confident	74.9	Confident	95 Å²	95	120.5 Å²	120.5	44%	0.444	59%	0.59	S	S	.	*	H	α-helix	trans	-66.6	-41.7	174	-170.9	-174.3	153.8	0	0	111.2	R53 K54 S60 K61	R53-E57 VanDerWaalsContact O-CB 3.32Å; R53-E57 WeakPolarHBondContact O-CB 3.26Å; R53-E57 PolarHBondContact O-N 2.99Å; K54-E57 PolarHBondContact O-N 3.4Å; E57-S60 PolarHBondContact O-N 2.98Å; E57-K61 HydrophobicContact CG-CD 4.41Å; E57-K61 WeakPolarHBondContact O-CB 3.44Å; E57-K61 WeakPolarHBondContact O-CG 3.2Å; E57-K61 PolarHBondContact O-N 2.94Å; E57-K61 WeakPolarHBondContact OE1-CE 3.46Å; E57-K61 IonicContact OE1-NZ 3.86Å; E57-K61 PolarHBondContact OE1-NZ 2.84Å
58	E	77.1	Confident	72.8	Confident	104 Å²	104	122.4 Å²	122.4	49%	0.486	60%	0.6	S	S	.	*	H	α-helix	trans	-66	-40.2	175.4	-162.1	-165.4	140.9	0	0	111.7	K54 E55 K61 K62	K54-E58 WeakPolarHBondContact O-CB 3.47Å; K54-E58 PolarHBondContact O-N 3.36Å; E55-E58 PolarHBondContact O-N 3.06Å; E58-K61 PolarHBondContact O-N 3.39Å; E58-K62 WeakPolarHBondContact O-CB 3.46Å; E58-K62 PolarHBondContact O-N 3.29Å; E58-K62 IonicContact OE1-NZ 3.61Å; E58-K62 PolarHBondContact OE1-NZ 2.87Å
59	A	78.1	Confident	70.5	Confident	49 Å²	49	126.8 Å²	126.8	41%	0.405	62%	0.615	S	S	.	*	H	α-helix	trans	-65.2	-41.8	174.3	0	0	0	0	0	111.7	E55 A56 K62 Q63	E55-A59 VanDerWaalsContact O-CB 3.23Å; E55-A59 WeakPolarHBondContact O-CB 3.23Å; E55-A59 PolarHBondContact O-N 3.03Å; A56-A59 PolarHBondContact O-N 3.31Å; A59-K62 WeakPolarHBondContact O-CB 3.46Å; A59-K62 PolarHBondContact O-N 3.45Å; A59-Q63 PolarHBondContact O-N 3.14Å
60	S	72.7	Confident	68.5	Low	54 Å²	54	131.8 Å²	131.8	38%	0.378	63%	0.628	S	S	.	*	H	α-helix	trans	-65.7	-42.6	174.7	178	0	0	0	0	111.7	A56 E57 K62 Q63 R64	A56-S60 VanDerWaalsContact O-CB 3.23Å; A56-S60 WeakPolarHBondContact O-CB 3.36Å; A56-S60 PolarHBondContact O-N 3.49Å; E57-S60 PolarHBondContact O-N 2.98Å; S60-K62 VanDerWaalsContact C-N 3.28Å; S60-K62 PolarHBondContact O-N 3.48Å; S60-Q63 CarbonylContact O-C 3.53Å; S60-Q63 PolarHBondContact O-N 3.01Å; S60-R64 WeakPolarHBondContact O-CB 3.42Å; S60-R64 WeakPolarHBondContact O-CG 3.43Å; S60-R64 PolarHBondContact O-N 2.85Å
61	K	68.5	Low	66.6	Low	132 Å²	132	137.2 Å²	137.2	57%	0.574	65%	0.65	S	S	*	*	H	α-helix	trans	-62.8	-32.7	172.6	-76.7	176.2	-176.3	169.4	0	112.5	E57 E58 Q63	E57-K61 HydrophobicContact CG-CD 4.41Å; E57-K61 WeakPolarHBondContact O-CB 3.44Å; E57-K61 WeakPolarHBondContact O-CG 3.2Å; E57-K61 PolarHBondContact O-N 2.94Å; E57-K61 WeakPolarHBondContact OE1-CE 3.46Å; E57-K61 IonicContact OE1-NZ 3.86Å; E57-K61 PolarHBondContact OE1-NZ 2.84Å; E58-K61 PolarHBondContact O-N 3.39Å; K61-Q63 VanDerWaalsContact C-N 3.34Å
62	K	62.4	Low	64.5	Low	157 Å²	157	133.9 Å²	133.9	68%	0.683	65%	0.651	S	S	*	*	H	α-helix	trans	-69.6	-28.5	171.6	-87.4	165.7	174.6	156.7	0	112.9	E58 A59 S60	E58-K62 WeakPolarHBondContact O-CB 3.46Å; E58-K62 PolarHBondContact O-N 3.29Å; E58-K62 IonicContact OE1-NZ 3.61Å; E58-K62 PolarHBondContact OE1-NZ 2.87Å; A59-K62 WeakPolarHBondContact O-CB 3.46Å; A59-K62 PolarHBondContact O-N 3.45Å; S60-K62 VanDerWaalsContact C-N 3.28Å; S60-K62 PolarHBondContact O-N 3.48Å
63	Q	55.9	Low	62.8	Low	169 Å²	169	135.7 Å²	135.7	79%	0.79	67%	0.667	S	S	*	*	H	α-helix	trans	-88.4	-31.8	175.4	-70.8	-172.7	-0.9	0	0	113.2	A59 S60 K61 K65	A59-Q63 PolarHBondContact O-N 3.14Å; S60-Q63 CarbonylContact O-C 3.53Å; S60-Q63 PolarHBondContact O-N 3.01Å; K61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-K65 PolarHBondContact O-N 3.11Å
64	R	48.5	Very low	61.5	Low	200 Å²	200	128.7 Å²	128.7	76%	0.755	65%	0.654	S	S	*	*			trans	-93.3	71.3	179.7	-59.7	-170.1	95.4	179.6	6	111.2	S60	S60-R64 WeakPolarHBondContact O-CB 3.42Å; S60-R64 WeakPolarHBondContact O-CG 3.43Å; S60-R64 PolarHBondContact O-N 2.85Å
65	K	45.9	Very low	60.3	Low	155 Å²	155	126.8 Å²	126.8	67%	0.674	67%	0.669	S	S	*	*			trans	-133.6	99.2	147.1	-79.4	-165.3	176.3	-174.3	0	109	Q63 G67	Q63-K65 PolarHBondContact O-N 3.11Å; K65-G67 PolarHBondContact O-N 2.86Å
66	P	47.4	Very low	59.9	Low	134 Å²	134	125.4 Å²	125.4	87%	0.87	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	121.9	169.7	30.4	-28	0	0	0	107.9
67	G	51.8	Low	60.1	Low	71 Å²	71	125.7 Å²	125.7	73%	0.732	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	119.7	-5	161.3	0	0	0	0	0	118.3	K65 K69	K65-G67 PolarHBondContact O-N 2.86Å; G67-K69 PolarHBondContact O-N 3.44Å
68	Q	49.1	Very low	60.4	Low	158 Å²	158	130.1 Å²	130.1	74%	0.738	68%	0.68	S	S	*	*			trans	-104.8	85	177.2	-69.6	-171.6	-58.8	0	0	112.5
69	K	43.3	Very low	61	Low	198 Å²	198	131.7 Å²	131.7	86%	0.861	69%	0.687	S	S	*	*			trans	38.3	100.7	141.7	-59.3	-173.9	-178	-178	0	116.2	G67	G67-K69 PolarHBondContact O-N 3.44Å
70	R	49.4	Very low	61.5	Low	244 Å²	244	135.7 Å²	135.7	92%	0.921	70%	0.696	S	S	*	*			trans	33.4	114.8	145.4	-69.5	-177.1	156.4	-173.7	-7.2	115.6	G72	R70-G72 PolarHBondContact O-N 3.44Å
71	K	48.5	Very low	62.4	Low	215 Å²	215	138.4 Å²	138.4	94%	0.935	70%	0.701	S	S	*	*			trans	-44.4	79	155.8	-65.3	173.1	178.1	174.9	0	110.4
72	G	48.5	Very low	63.5	Low	54 Å²	54	140.4 Å²	140.4	56%	0.557	71%	0.705	S	S	*	*			trans	-62.2	148.1	160.6	0	0	0	0	0	106.9	R70 G74	R70-G72 PolarHBondContact O-N 3.44Å; G72-G74 PolarHBondContact O-N 3.32Å
73	L	52.5	Low	65	Low	186 Å²	186	137.4 Å²	137.4	97%	0.974	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	16.4	-177	-126.8	79.5	0	0	0	115.6
74	G	57.1	Low	66.8	Low	45 Å²	45	133.2 Å²	133.2	46%	0.464	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.1	13.6	-176.4	0	0	0	0	0	115.9	G72 L76 K81	G72-G74 PolarHBondContact O-N 3.32Å; G74-L76 PolarHBondContact O-N 3.44Å; G74-K81 WeakPolarHBondContact O-CE 3.23Å; G74-K81 PolarHBondContact O-NZ 3.3Å; G74-K81 VanDerWaalsContact O-NZ 3.16Å
75	G	63.2	Low	69	Low	80 Å²	80	130.4 Å²	130.4	83%	0.825	67%	0.672	S	S	*	*			trans	-72.4	25	177.9	0	0	0	0	0	116.1
76	L	76.8	Confident	71.3	Confident	73 Å²	73	128.4 Å²	128.4	38%	0.382	67%	0.665	S	S	.	*			trans	-71.8	134.2	175.2	-76.1	120.7	0	0	0	110.8	G74 K80 K81	G74-L76 PolarHBondContact O-N 3.44Å; L76-K80 HydrophobicContact CB-CB 4.24Å; L76-K80 HydrophobicContact CD2-CB 3.65Å; L76-K80 HydrophobicContact CD2-CD 4.17Å; L76-K81 HydrophobicContact CB-CD 4.5Å; L76-K81 HydrophobicContact CB-CG 3.75Å; L76-K81 WeakPolarHBondContact O-CE 3.23Å
77	S	85	Confident	73.5	Confident	66 Å²	66	126.3 Å²	126.3	46%	0.462	65%	0.646	S	S	.	*			trans	-51.4	147.3	168.4	171	0	0	0	0	110.6	E79 K80 K81	S77-E79 PolarHBondContact O-N 3.45Å; S77-E79 VanDerWaalsContact O-N 3.14Å; S77-K80 PolarHBondContact O-N 2.89Å; S77-K81 PolarHBondContact O-N 2.71Å
78	K	87.3	Confident	75.6	Confident	189 Å²	189	128 Å²	128	82%	0.822	64%	0.637	S	S	*	*	H	α-helix	trans	-51.5	-37.8	178.2	-175.7	-179.1	178.7	-175.2	0	111.9	K81 R82	K78-K81 PolarHBondContact O-N 2.83Å; K78-R82 PolarHBondContact O-N 3.49Å; K78-R82 VanDerWaalsContact O-N 3.12Å
79	E	88.5	Confident	77.8	Confident	136 Å²	136	126.4 Å²	126.4	64%	0.636	63%	0.631	S	S	*	*	H	α-helix	trans	-65.7	-47.4	176.1	-174.5	172.1	-155.8	0	0	112.2	S77 K81 R82 L83	S77-E79 PolarHBondContact O-N 3.45Å; S77-E79 VanDerWaalsContact O-N 3.14Å; E79-K81 VanDerWaalsContact C-N 3.31Å; E79-K81 PolarHBondContact O-N 3.01Å; E79-R82 PolarHBondContact O-N 2.95Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-L83 PolarHBondContact O-N 3.45Å
80	K	90.3	Very high	80.2	Confident	134 Å²	134	122 Å²	122	58%	0.583	61%	0.613	S	S	*	*	H	α-helix	trans	-61.8	-37.9	175.8	-65.9	-173.4	178.6	-175.8	0	112.1	L76 S77 L83 L84	L76-K80 HydrophobicContact CB-CB 4.24Å; L76-K80 HydrophobicContact CD2-CB 3.65Å; L76-K80 HydrophobicContact CD2-CD 4.17Å; S77-K80 PolarHBondContact O-N 2.89Å; K80-L83 PolarHBondContact O-N 3.26Å; K80-L84 VanDerWaalsContact O-CB 3.26Å; K80-L84 WeakPolarHBondContact O-CB 3.35Å; K80-L84 PolarHBondContact O-N 2.91Å
81	K	90.9	Very high	82.4	Confident	110 Å²	110	116.4 Å²	116.4	48%	0.478	60%	0.596	S	S	.	*	H	α-helix	trans	-63.3	-40.2	174.8	-71.2	-179.8	176.6	171.6	0	112.1	G74 L76 S77 K78 E79 K85	G74-K81 WeakPolarHBondContact O-CE 3.23Å; G74-K81 PolarHBondContact O-NZ 3.3Å; G74-K81 VanDerWaalsContact O-NZ 3.16Å; L76-K81 HydrophobicContact CB-CD 4.5Å; L76-K81 HydrophobicContact CB-CG 3.75Å; L76-K81 WeakPolarHBondContact O-CE 3.23Å; S77-K81 PolarHBondContact O-N 2.71Å; K78-K81 PolarHBondContact O-N 2.83Å; E79-K81 VanDerWaalsContact C-N 3.31Å; E79-K81 PolarHBondContact O-N 3.01Å; K81-K85 PolarHBondContact O-N 2.85Å; K81-K85 VanDerWaalsContact O-N 3.07Å
82	R	91.2	Very high	84.7	Confident	174 Å²	174	108.7 Å²	108.7	66%	0.657	57%	0.572	S	S	*	*	H	α-helix	trans	-65.7	-48.3	176.2	-173.6	-179.1	70.7	-175.1	-0.5	111.3	K78 E79 L84 K85 Q86	K78-R82 PolarHBondContact O-N 3.49Å; K78-R82 VanDerWaalsContact O-N 3.12Å; E79-R82 PolarHBondContact O-N 2.95Å; E79-R82 VanDerWaalsContact O-N 3.16Å; R82-L84 VanDerWaalsContact C-N 3.35Å; R82-L84 PolarHBondContact O-N 3.42Å; R82-K85 PolarHBondContact O-N 2.9Å; R82-Q86 PolarHBondContact O-N 3.48Å
83	L	93.8	Very high	86.9	Confident	95 Å²	95	108.2 Å²	108.2	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-61	-44.1	178.2	-176.9	62.9	0	0	0	111.4	E79 K80 K85 Q86 L87	E79-L83 PolarHBondContact O-N 3.45Å; K80-L83 PolarHBondContact O-N 3.26Å; L83-K85 PolarHBondContact O-N 2.92Å; L83-Q86 WeakPolarHBondContact O-CB 3.31Å; L83-Q86 PolarHBondContact O-N 3.33Å; L83-L87 HydrophobicContact CG-CD1 4.21Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.32Å
84	L	94.1	Very high	88.9	Confident	81 Å²	81	103.2 Å²	103.2	42%	0.424	54%	0.537	S	S	.	.	H	α-helix	trans	-61.6	-42.8	177.4	-175.7	61.9	0	0	0	112.2	K80 R82 Q86 L87 I88	K80-L84 VanDerWaalsContact O-CB 3.26Å; K80-L84 WeakPolarHBondContact O-CB 3.35Å; K80-L84 PolarHBondContact O-N 2.91Å; R82-L84 VanDerWaalsContact C-N 3.35Å; R82-L84 PolarHBondContact O-N 3.42Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 3.34Å; L84-L87 PolarHBondContact O-N 3.42Å; L84-I88 HydrophobicContact CD1-CD1 4.25Å; L84-I88 HydrophobicContact CD1-CG1 4.45Å; L84-I88 HydrophobicContact CG-CD1 3.96Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.02Å; L84-I88 PolarHBondContact O-N 3.5Å
85	K	93.4	Very high	90.8	Very high	141 Å²	141	106 Å²	106	61%	0.613	54%	0.538	S	S	*	.	H	α-helix	trans	-59.6	-43.9	174.5	-176.5	-179.7	177.6	-176.7	0	111.4	K81 R82 L83 I88 M89	K81-K85 PolarHBondContact O-N 2.85Å; K81-K85 VanDerWaalsContact O-N 3.07Å; R82-K85 PolarHBondContact O-N 2.9Å; L83-K85 PolarHBondContact O-N 2.92Å; K85-I88 PolarHBondContact O-N 2.95Å; K85-M89 HydrophobicContact CG-SD 4.24Å; K85-M89 WeakPolarHBondContact O-CG 3.23Å; K85-M89 PolarHBondContact O-N 2.84Å
86	Q	94.2	Very high	92.3	Very high	113 Å²	113	107.8 Å²	107.8	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-45.2	177.7	-177.9	178	-13	0	0	111.6	R82 L83 L84 I88 M89 Q90	R82-Q86 PolarHBondContact O-N 3.48Å; L83-Q86 WeakPolarHBondContact O-CB 3.31Å; L83-Q86 PolarHBondContact O-N 3.33Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 3.34Å; Q86-I88 PolarHBondContact O-N 3.23Å; Q86-M89 PolarHBondContact O-N 3.22Å; Q86-Q90 WeakPolarHBondContact O-CB 3.33Å; Q86-Q90 PolarHBondContact O-N 3Å
87	L	95.5	Very high	93.1	Very high	90 Å²	90	110.9 Å²	110.9	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-62.7	-40.8	177.2	-71.2	172.6	0	0	0	112.4	L83 L84 Q90 K91	L83-L87 HydrophobicContact CG-CD1 4.21Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 3.32Å; L84-L87 PolarHBondContact O-N 3.42Å; L87-Q90 PolarHBondContact O-N 2.64Å; L87-K91 VanDerWaalsContact O-CB 3.3Å; L87-K91 WeakPolarHBondContact O-CB 3.43Å; L87-K91 PolarHBondContact O-N 2.65Å
88	I	95.3	Very high	93.6	Very high	107 Å²	107	110.6 Å²	110.6	55%	0.549	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-44.2	176.2	-68.3	165.7	0	0	0	110.7	L84 K85 Q86 K91 A92	L84-I88 HydrophobicContact CD1-CD1 4.25Å; L84-I88 HydrophobicContact CD1-CG1 4.45Å; L84-I88 HydrophobicContact CG-CD1 3.96Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.02Å; L84-I88 PolarHBondContact O-N 3.5Å; K85-I88 PolarHBondContact O-N 2.95Å; Q86-I88 PolarHBondContact O-N 3.23Å; I88-K91 PolarHBondContact O-N 3.48Å; I88-A92 WeakPolarHBondContact O-CB 3.25Å; I88-A92 PolarHBondContact O-N 3.05Å
89	M	94.5	Very high	94	Very high	123 Å²	123	107.2 Å²	107.2	61%	0.606	53%	0.525	S	S	*	.	H	α-helix	trans	-65.2	-40.6	177.4	-71.2	-178.5	71.3	0	0	112.1	K85 Q86 A92 A93	K85-M89 HydrophobicContact CG-SD 4.24Å; K85-M89 WeakPolarHBondContact O-CG 3.23Å; K85-M89 PolarHBondContact O-N 2.84Å; Q86-M89 PolarHBondContact O-N 3.22Å; M89-A92 PolarHBondContact O-N 3.19Å; M89-A93 WeakPolarHBondContact O-CB 3.23Å; M89-A93 PolarHBondContact O-N 3.38Å
90	Q	95.1	Very high	94.3	Very high	105 Å²	105	105.8 Å²	105.8	49%	0.491	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-48	176.2	-176.5	172.8	2	0	0	111.1	Q86 L87 A92 A93 D94	Q86-Q90 WeakPolarHBondContact O-CB 3.33Å; Q86-Q90 PolarHBondContact O-N 3Å; L87-Q90 PolarHBondContact O-N 2.64Å; Q90-A92 VanDerWaalsContact C-N 3.33Å; Q90-A92 PolarHBondContact O-N 2.93Å; Q90-A93 PolarHBondContact O-N 3.48Å; Q90-A93 VanDerWaalsContact O-N 3.14Å; Q90-D94 VanDerWaalsContact O-CG 3.29Å; Q90-D94 PolarHBondContact O-N 2.89Å
91	K	95.1	Very high	94.6	Very high	128 Å²	128	105.6 Å²	105.6	56%	0.557	52%	0.519	S	S	*	.	H	α-helix	trans	-58.5	-44.2	176.1	-168.4	-178.1	-169.7	-107	0	111.8	L87 I88 A93 D94 E95	L87-K91 VanDerWaalsContact O-CB 3.3Å; L87-K91 WeakPolarHBondContact O-CB 3.43Å; L87-K91 PolarHBondContact O-N 2.65Å; I88-K91 PolarHBondContact O-N 3.48Å; K91-A93 VanDerWaalsContact C-N 3.33Å; K91-A93 PolarHBondContact O-N 3.31Å; K91-D94 PolarHBondContact O-N 3.07Å; K91-E95 WeakPolarHBondContact CE-OE1 3.1Å; K91-E95 HydrophobicContact CG-CG 4.43Å; K91-E95 IonicContact NZ-OE1 3.74Å; K91-E95 PolarHBondContact NZ-OE1 3.49Å; K91-E95 WeakPolarHBondContact O-CB 3.13Å; K91-E95 WeakPolarHBondContact O-CG 3.34Å; K91-E95 PolarHBondContact O-N 3.45Å
92	A	95.3	Very high	94.8	Very high	52 Å²	52	106.8 Å²	106.8	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-39.8	176.8	0	0	0	0	0	112.2	I88 M89 Q90 M96	I88-A92 WeakPolarHBondContact O-CB 3.25Å; I88-A92 PolarHBondContact O-N 3.05Å; M89-A92 PolarHBondContact O-N 3.19Å; Q90-A92 VanDerWaalsContact C-N 3.33Å; Q90-A92 PolarHBondContact O-N 2.93Å; A92-M96 VanDerWaalsContact O-CB 3.29Å; A92-M96 WeakPolarHBondContact O-CB 3.38Å; A92-M96 PolarHBondContact O-N 3.03Å
93	A	95.2	Very high	95.1	Very high	45 Å²	45	107.6 Å²	107.6	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-68.1	-39.3	176	0	0	0	0	0	112.3	M89 Q90 K91 M96 K97	M89-A93 WeakPolarHBondContact O-CB 3.23Å; M89-A93 PolarHBondContact O-N 3.38Å; Q90-A93 PolarHBondContact O-N 3.48Å; Q90-A93 VanDerWaalsContact O-N 3.14Å; K91-A93 VanDerWaalsContact C-N 3.33Å; K91-A93 PolarHBondContact O-N 3.31Å; A93-M96 PolarHBondContact O-N 3.4Å; A93-K97 WeakPolarHBondContact O-CG 3.45Å; A93-K97 PolarHBondContact O-N 3.48Å
94	D	95.5	Very high	95.1	Very high	81 Å²	81	108.4 Å²	108.4	43%	0.433	53%	0.525	S	S	.	.	H	α-helix	trans	-69.3	-42.4	178	-67.7	-22.6	0	0	0	111.3	Q90 K91 K97 A98	Q90-D94 VanDerWaalsContact O-CG 3.29Å; Q90-D94 PolarHBondContact O-N 2.89Å; K91-D94 PolarHBondContact O-N 3.07Å; D94-K97 PolarHBondContact O-N 2.88Å; D94-A98 WeakPolarHBondContact O-CB 3.32Å; D94-A98 PolarHBondContact O-N 3.04Å
95	E	95.8	Very high	95.2	Very high	103 Å²	103	108.7 Å²	108.7	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-60.9	-43.9	172.9	-75.6	174.7	-175.2	0	0	111.2	K91 K97 A98 E99	K91-E95 WeakPolarHBondContact CE-OE1 3.1Å; K91-E95 HydrophobicContact CG-CG 4.43Å; K91-E95 IonicContact NZ-OE1 3.74Å; K91-E95 PolarHBondContact NZ-OE1 3.49Å; K91-E95 WeakPolarHBondContact O-CB 3.13Å; K91-E95 WeakPolarHBondContact O-CG 3.34Å; K91-E95 PolarHBondContact O-N 3.45Å; E95-K97 PolarHBondContact O-N 3.48Å; E95-A98 PolarHBondContact O-N 2.97Å; E95-E99 WeakPolarHBondContact O-CB 3.42Å; E95-E99 PolarHBondContact O-N 3.28Å
96	M	95	Very high	95.3	Very high	117 Å²	117	106.8 Å²	106.8	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-61.3	-42	176.4	-169.7	-168.2	-172	0	0	111.8	A92 A93 M100	A92-M96 VanDerWaalsContact O-CB 3.29Å; A92-M96 WeakPolarHBondContact O-CB 3.38Å; A92-M96 PolarHBondContact O-N 3.03Å; A93-M96 PolarHBondContact O-N 3.4Å; M96-M100 HydrophobicContact CE-CE 3.57Å; M96-M100 HydrophobicContact CG-CE 3.57Å; M96-M100 WeakPolarHBondContact O-CG 3.32Å; M96-M100 PolarHBondContact O-N 3.01Å; M96-M100 HydrophobicContact SD-CE 3.8Å
97	K	95	Very high	95.3	Very high	139 Å²	139	109.8 Å²	109.8	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-67.1	-42.1	175.4	-74.2	174.2	-176.9	173.7	0	112.2	A93 D94 E95 E99 M100 K101	A93-K97 WeakPolarHBondContact O-CG 3.45Å; A93-K97 PolarHBondContact O-N 3.48Å; D94-K97 PolarHBondContact O-N 2.88Å; E95-K97 PolarHBondContact O-N 3.48Å; K97-E99 VanDerWaalsContact C-N 3.33Å; K97-M100 PolarHBondContact O-N 3.48Å; K97-K101 WeakPolarHBondContact O-CB 3.27Å; K97-K101 PolarHBondContact O-N 2.98Å
98	A	95.4	Very high	95.2	Very high	60 Å²	60	110.3 Å²	110.3	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-41.2	176.8	0	0	0	0	0	111.2	D94 E95 K101 R102	D94-A98 WeakPolarHBondContact O-CB 3.32Å; D94-A98 PolarHBondContact O-N 3.04Å; E95-A98 PolarHBondContact O-N 2.97Å; A98-K101 PolarHBondContact O-N 3.32Å; A98-R102 WeakPolarHBondContact O-CB 3.42Å; A98-R102 PolarHBondContact O-N 3.13Å
99	E	95.5	Very high	95.2	Very high	118 Å²	118	110.8 Å²	110.8	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-66.1	-41.9	175.5	-174.6	172.5	-151.8	0	0	112.2	E95 K97 K101 R102 R103	E95-E99 WeakPolarHBondContact O-CB 3.42Å; E95-E99 PolarHBondContact O-N 3.28Å; K97-E99 VanDerWaalsContact C-N 3.33Å; E99-K101 PolarHBondContact O-N 3.14Å; E99-R102 PolarHBondContact O-N 3.47Å; E99-R103 WeakPolarHBondContact O-CB 3.46Å; E99-R103 PolarHBondContact O-N 3.16Å
100	M	94.8	Very high	95.1	Very high	106 Å²	106	111.3 Å²	111.3	52%	0.522	53%	0.526	S	S	.	.	H	α-helix	trans	-59.7	-46.1	173.4	-74.8	-170.9	-135.4	0	0	111.8	M96 K97 R103 Q104	M96-M100 HydrophobicContact CE-CE 3.57Å; M96-M100 HydrophobicContact CG-CE 3.57Å; M96-M100 WeakPolarHBondContact O-CG 3.32Å; M96-M100 PolarHBondContact O-N 3.01Å; M96-M100 HydrophobicContact SD-CE 3.8Å; K97-M100 PolarHBondContact O-N 3.48Å; M100-R103 PolarHBondContact O-N 3.14Å; M100-Q104 WeakPolarHBondContact O-CB 3.33Å; M100-Q104 PolarHBondContact O-N 3.12Å
101	K	95.6	Very high	95	Very high	130 Å²	130	110.1 Å²	110.1	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-61.4	-46.2	177.5	-179.7	175.7	169.2	178.2	0	111.1	K97 A98 E99 R103 Q104 E105	K97-K101 WeakPolarHBondContact O-CB 3.27Å; K97-K101 PolarHBondContact O-N 2.98Å; A98-K101 PolarHBondContact O-N 3.32Å; E99-K101 PolarHBondContact O-N 3.14Å; K101-R103 VanDerWaalsContact C-N 3.34Å; K101-R103 PolarHBondContact O-N 3.16Å; K101-Q104 WeakPolarHBondContact O-CB 3.41Å; K101-Q104 PolarHBondContact O-N 3.03Å; K101-E105 WeakPolarHBondContact CE-OE1 3.36Å; K101-E105 IonicContact NZ-OE1 3.61Å; K101-E105 WeakPolarHBondContact O-CG 3.2Å; K101-E105 PolarHBondContact O-N 2.79Å
102	R	95.9	Very high	94.8	Very high	135 Å²	135	113.8 Å²	113.8	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-58.6	-45.5	175.8	-174	-176.2	68.4	137.2	-4.4	111.6	A98 E99 Q104 E105 E106	A98-R102 WeakPolarHBondContact O-CB 3.42Å; A98-R102 PolarHBondContact O-N 3.13Å; E99-R102 PolarHBondContact O-N 3.47Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-Q104 PolarHBondContact O-N 3.48Å; R102-E105 PolarHBondContact O-N 3.44Å; R102-E106 HydrophobicContact CG-CG 4.41Å; R102-E106 WeakPolarHBondContact CG-OE1 3.32Å; R102-E106 IonicContact CZ-OE1 2.63Å; R102-E106 IonicContact NE-OE1 3.86Å; R102-E106 IonicContact NH1-OE1 3.09Å; R102-E106 WeakPolarHBondContact O-CB 3.34Å; R102-E106 VanDerWaalsContact O-CG 3.28Å; R102-E106 WeakPolarHBondContact O-CG 3.46Å; R102-E106 PolarHBondContact O-N 3.02Å
103	R	96.1	Very high	94.6	Very high	190 Å²	190	114.4 Å²	114.4	72%	0.717	55%	0.545	S	S	*	.	H	α-helix	trans	-64.2	-35.4	178	-172.7	175.9	-179	134.9	-0.2	112.2	E99 M100 K101 R107	E99-R103 WeakPolarHBondContact O-CB 3.46Å; E99-R103 PolarHBondContact O-N 3.16Å; M100-R103 PolarHBondContact O-N 3.14Å; K101-R103 VanDerWaalsContact C-N 3.34Å; K101-R103 PolarHBondContact O-N 3.16Å; R103-R107 VanDerWaalsContact O-CB 3.28Å; R103-R107 WeakPolarHBondContact O-CB 3.33Å; R103-R107 PolarHBondContact O-N 2.81Å
104	Q	94.8	Very high	94.2	Very high	113 Å²	113	117.9 Å²	117.9	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-67.6	-46.3	173.8	-177.8	176.4	-9.4	0	0	111.3	M100 K101 R102 R107 E108	M100-Q104 WeakPolarHBondContact O-CB 3.33Å; M100-Q104 PolarHBondContact O-N 3.12Å; K101-Q104 WeakPolarHBondContact O-CB 3.41Å; K101-Q104 PolarHBondContact O-N 3.03Å; R102-Q104 VanDerWaalsContact C-N 3.3Å; R102-Q104 PolarHBondContact O-N 3.48Å; Q104-R107 CarbonylContact O-C 3.6Å; Q104-R107 WeakPolarHBondContact O-CB 3.48Å; Q104-R107 PolarHBondContact O-N 3.46Å; Q104-E108 HydrophobicContact CG-CG 4.45Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.39Å; Q104-E108 PolarHBondContact NE2-OE1 2.93Å; Q104-E108 WeakPolarHBondContact O-CB 3.49Å; Q104-E108 WeakPolarHBondContact O-CG 3.33Å; Q104-E108 PolarHBondContact O-N 3.26Å
105	E	95.6	Very high	93.9	Very high	86 Å²	86	118.7 Å²	118.7	40%	0.402	56%	0.559	S	S	.	*	H	α-helix	trans	-61.9	-43.2	176.5	-71.6	171.3	178.6	0	0	111.6	K101 R102 R107 E108 N109	K101-E105 WeakPolarHBondContact CE-OE1 3.36Å; K101-E105 IonicContact NZ-OE1 3.61Å; K101-E105 WeakPolarHBondContact O-CG 3.2Å; K101-E105 PolarHBondContact O-N 2.79Å; R102-E105 PolarHBondContact O-N 3.44Å; E105-R107 VanDerWaalsContact C-N 3.32Å; E105-R107 PolarHBondContact O-N 3.37Å; E105-E108 PolarHBondContact O-N 3.22Å; E105-N109 VanDerWaalsContact O-CB 3.31Å; E105-N109 WeakPolarHBondContact O-CB 3.42Å; E105-N109 VanDerWaalsContact O-CG 3.23Å; E105-N109 PolarHBondContact O-N 2.74Å; E105-N109 PolarHBondContact O-OD1 3.04Å
106	E	95.7	Very high	93.3	Very high	101 Å²	101	121.2 Å²	121.2	47%	0.472	57%	0.571	S	S	.	*	H	α-helix	trans	-60.3	-42.2	173.7	-74.6	170.8	-174.2	0	0	111.4	R102 F110	R102-E106 HydrophobicContact CG-CG 4.41Å; R102-E106 WeakPolarHBondContact CG-OE1 3.32Å; R102-E106 IonicContact CZ-OE1 2.63Å; R102-E106 IonicContact NE-OE1 3.86Å; R102-E106 IonicContact NH1-OE1 3.09Å; R102-E106 WeakPolarHBondContact O-CB 3.34Å; R102-E106 VanDerWaalsContact O-CG 3.28Å; R102-E106 WeakPolarHBondContact O-CG 3.46Å; R102-E106 PolarHBondContact O-N 3.02Å; E106-F110 VanDerWaalsContact O-CB 3.26Å; E106-F110 WeakPolarHBondContact O-CB 3.36Å; E106-F110 PolarHBondContact O-N 2.68Å
107	R	94.9	Very high	92.9	Very high	176 Å²	176	120.8 Å²	120.8	66%	0.664	58%	0.577	S	S	*	*	H	α-helix	trans	-64.1	-45.7	175	179.9	-175.2	179.1	-165.3	-0	111.6	R103 Q104 E105 F110 L111	R103-R107 VanDerWaalsContact O-CB 3.28Å; R103-R107 WeakPolarHBondContact O-CB 3.33Å; R103-R107 PolarHBondContact O-N 2.81Å; Q104-R107 CarbonylContact O-C 3.6Å; Q104-R107 WeakPolarHBondContact O-CB 3.48Å; Q104-R107 PolarHBondContact O-N 3.46Å; E105-R107 VanDerWaalsContact C-N 3.32Å; E105-R107 PolarHBondContact O-N 3.37Å; R107-F110 PolarHBondContact O-N 2.82Å; R107-L111 HydrophobicContact CG-CD1 4.05Å; R107-L111 HydrophobicContact CG-CG 4.49Å; R107-L111 WeakPolarHBondContact O-CB 3.44Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.38Å; R107-L111 PolarHBondContact O-N 2.84Å
108	E	94.2	Very high	92.5	Very high	102 Å²	102	119.2 Å²	119.2	48%	0.477	58%	0.575	S	S	.	*	H	α-helix	trans	-64.3	-43.7	179.3	-75.5	176.5	-168.7	0	0	111.2	Q104 E105 F110 L111 R112	Q104-E108 HydrophobicContact CG-CG 4.45Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.39Å; Q104-E108 PolarHBondContact NE2-OE1 2.93Å; Q104-E108 WeakPolarHBondContact O-CB 3.49Å; Q104-E108 WeakPolarHBondContact O-CG 3.33Å; Q104-E108 PolarHBondContact O-N 3.26Å; E105-E108 PolarHBondContact O-N 3.22Å; E108-F110 PolarHBondContact O-N 3.39Å; E108-L111 PolarHBondContact O-N 3.43Å; E108-R112 WeakPolarHBondContact O-CB 3.06Å; E108-R112 PolarHBondContact O-N 2.84Å
109	N	94	Very high	91.9	Very high	116 Å²	116	124.5 Å²	124.5	62%	0.62	59%	0.586	S	S	*	*	H	α-helix	trans	-62.5	-43.2	175	-73.6	-0.4	0	0	0	111.7	E105 R112 G113	E105-N109 VanDerWaalsContact O-CB 3.31Å; E105-N109 WeakPolarHBondContact O-CB 3.42Å; E105-N109 VanDerWaalsContact O-CG 3.23Å; E105-N109 PolarHBondContact O-N 2.74Å; E105-N109 PolarHBondContact O-OD1 3.04Å; N109-R112 PolarHBondContact O-N 3.45Å; N109-G113 PolarHBondContact O-N 3.46Å
110	F	93.5	Very high	91.4	Very high	134 Å²	134	123 Å²	123	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-61.8	-44.2	175.2	178.1	-97.8	0	0	0	111.9	E106 R107 E108 G113 K114	E106-F110 VanDerWaalsContact O-CB 3.26Å; E106-F110 WeakPolarHBondContact O-CB 3.36Å; E106-F110 PolarHBondContact O-N 2.68Å; R107-F110 PolarHBondContact O-N 2.82Å; E108-F110 PolarHBondContact O-N 3.39Å; F110-G113 PolarHBondContact O-N 3.47Å; F110-K114 HydrophobicContact CE1-CD 3.98Å; F110-K114 HydrophobicContact CZ-CD 3.99Å; F110-K114 WeakPolarHBondContact O-CB 3.14Å; F110-K114 PolarHBondContact O-N 2.87Å
111	L	92.5	Very high	91	Very high	80 Å²	80	125.3 Å²	125.3	42%	0.419	60%	0.597	S	S	.	*	H	α-helix	trans	-64.4	-42.7	176.8	-72.9	171.8	0	0	0	111.5	R107 E108 G113 K114 V115	R107-L111 HydrophobicContact CG-CD1 4.05Å; R107-L111 HydrophobicContact CG-CG 4.49Å; R107-L111 WeakPolarHBondContact O-CB 3.44Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.38Å; R107-L111 PolarHBondContact O-N 2.84Å; E108-L111 PolarHBondContact O-N 3.43Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 2.87Å; L111-K114 PolarHBondContact O-N 3.4Å; L111-V115 WeakPolarHBondContact O-CB 3.42Å; L111-V115 WeakPolarHBondContact O-CG2 3.42Å; L111-V115 PolarHBondContact O-N 2.83Å
112	R	90.6	Very high	90.5	Very high	206 Å²	206	123.3 Å²	123.3	78%	0.777	61%	0.612	S	S	*	*	H	α-helix	trans	-63.7	-35.6	177.5	-166.7	-178.3	-148.8	-84.6	0.1	112.6	E108 N109	E108-R112 WeakPolarHBondContact O-CB 3.06Å; E108-R112 PolarHBondContact O-N 2.84Å; N109-R112 PolarHBondContact O-N 3.45Å
113	G	90.4	Very high	90.1	Very high	65 Å²	65	120 Å²	120	67%	0.67	61%	0.605	S	S	*	*	H	α-helix	trans	-73.6	-29.2	175.1	0	0	0	0	0	113.4	N109 F110 L111	N109-G113 PolarHBondContact O-N 3.46Å; F110-G113 PolarHBondContact O-N 3.47Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 2.87Å
114	K	88.2	Confident	89.9	Confident	117 Å²	117	112.8 Å²	112.8	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-91.2	-30.3	-177.3	-167.7	167.4	-177.5	175.1	0	113.6	F110 L111	F110-K114 HydrophobicContact CE1-CD 3.98Å; F110-K114 HydrophobicContact CZ-CD 3.99Å; F110-K114 WeakPolarHBondContact O-CB 3.14Å; F110-K114 PolarHBondContact O-N 2.87Å; L111-K114 PolarHBondContact O-N 3.4Å
115	V	87.4	Confident	89.8	Confident	99 Å²	99	114.9 Å²	114.9	60%	0.6	60%	0.599	S	S	*	*	S	Bend	trans	-104.1	98.4	179.8	-175.6	0	0	0	0	108.5	L111	L111-V115 WeakPolarHBondContact O-CB 3.42Å; L111-V115 WeakPolarHBondContact O-CG2 3.42Å; L111-V115 PolarHBondContact O-N 2.83Å
116	E	83.9	Confident	89.6	Confident	155 Å²	155	117.1 Å²	117.1	72%	0.724	61%	0.614	S	S	*	*			trans	-68.1	137	173	-66.2	178.8	176.2	0	0	110.3	L118	E116-L118 PolarHBondContact O-N 3.43Å
117	P	86.5	Confident	89.5	Confident	108 Å²	108	117 Å²	117	70%	0.701	62%	0.617	S	S	*	*			trans	-55.6	134.1	171.7	-24.6	33.8	0	0	0	111.2	K119	P117-K119 PolarHBondContact O-N 3.34Å; P117-K119 VanDerWaalsContact O-N 3.08Å
118	L	86.2	Confident	89.4	Confident	107 Å²	107	112.3 Å²	112.3	56%	0.56	60%	0.604	S	S	*	*			trans	-65.5	109.7	177.2	-114	73.7	0	0	0	109.8	E116 L120 L135	E116-L118 PolarHBondContact O-N 3.43Å; L118-L120 HydrophobicContact CD2-CD1 4.37Å; L118-L120 HydrophobicContact CD2-CD2 4.19Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L118-L135 HydrophobicContact CD1-CD1 4.19Å; L118-L135 HydrophobicContact CD1-CD2 4.32Å; L118-L135 HydrophobicContact CD2-CD1 4.08Å; L118-L135 HydrophobicContact CG-CD1 4.42Å
119	K	83.9	Confident	89.4	Confident	170 Å²	170	111.4 Å²	111.4	74%	0.739	60%	0.602	S	S	*	*			trans	-91.9	104.2	170.4	-62.9	178.2	-176.1	176.7	0	108.3	P117	P117-K119 PolarHBondContact O-N 3.34Å; P117-K119 VanDerWaalsContact O-N 3.08Å
120	L	85.4	Confident	89.4	Confident	86 Å²	86	108.7 Å²	108.7	45%	0.45	60%	0.596	S	S	.	*			trans	-104.9	-10.8	178.3	-60.4	178.7	0	0	0	112.6	L118 G122 L128	L118-L120 HydrophobicContact CD2-CD1 4.37Å; L118-L120 HydrophobicContact CD2-CD2 4.19Å; L118-L120 HydrophobicContact CD2-CG 4.42Å; L120-G122 PolarHBondContact O-N 2.77Å; L120-L128 HydrophobicContact CD2-CD1 4.11Å
121	D	86	Confident	89.3	Confident	156 Å²	156	105.1 Å²	105.1	83%	0.834	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	124.8	-174.3	-57	-33.2	0	0	0	111.1
122	G	85.2	Confident	89.3	Confident	87 Å²	87	105.2 Å²	105.2	90%	0.897	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.8	6.9	174.3	0	0	0	0	0	116.1	L120	L120-G122 PolarHBondContact O-N 2.77Å
123	L	87.6	Confident	89.6	Confident	67 Å²	67	102.9 Å²	102.9	35%	0.351	58%	0.58	S	S	.	*			trans	-78.1	133.8	175.2	-83.5	69.9	0	0	0	110.9	D127	L123-D127 HydrophobicContact CB-CB 4.17Å; L123-D127 HydrophobicContact CD2-CB 4.18Å; L123-D127 HydrophobicContact CG-CB 4.1Å
124	G	91.1	Very high	89.7	Confident	38 Å²	38	105.5 Å²	105.5	39%	0.392	57%	0.574	S	S	.	*			trans	-74.7	170.5	169.7	0	0	0	0	0	112.5	N126 D127 L128	G124-N126 VanDerWaalsContact C-N 3.32Å; G124-N126 PolarHBondContact O-N 3.25Å; G124-D127 PolarHBondContact O-N 3.28Å; G124-L128 WeakPolarHBondContact O-CB 3.27Å; G124-L128 PolarHBondContact O-N 2.89Å
125	E	92	Very high	90	Very high	156 Å²	156	102.8 Å²	102.8	73%	0.729	57%	0.565	S	S	*	*	H	α-helix	trans	-56.6	-41.5	-177.4	-175.4	179.1	-179.3	0	0	113.3	L128 N129	E125-L128 PolarHBondContact O-N 3.47Å; E125-N129 WeakPolarHBondContact O-CB 3.46Å; E125-N129 PolarHBondContact O-N 2.97Å; E125-N129 PolarHBondContact O-ND2 2.82Å
126	N	92.9	Very high	90.4	Very high	134 Å²	134	106 Å²	106	72%	0.717	57%	0.568	S	S	*	*	H	α-helix	trans	-65.6	-43.4	178.8	-70.6	-29.9	0	0	0	112.3	G124 L128 N129 A130	G124-N126 VanDerWaalsContact C-N 3.32Å; G124-N126 PolarHBondContact O-N 3.25Å; N126-L128 VanDerWaalsContact C-N 3.33Å; N126-N129 PolarHBondContact O-N 2.92Å; N126-A130 PolarHBondContact O-N 3.33Å
127	D	92.2	Very high	91	Very high	99 Å²	99	102 Å²	102	53%	0.529	55%	0.549	S	S	.	.	H	α-helix	trans	-66.8	-38.8	178.5	-62.3	-36.4	0	0	0	111	L123 G124 A130 K131	L123-D127 HydrophobicContact CB-CB 4.17Å; L123-D127 HydrophobicContact CD2-CB 4.18Å; L123-D127 HydrophobicContact CG-CB 4.1Å; G124-D127 PolarHBondContact O-N 3.28Å; D127-A130 PolarHBondContact O-N 2.96Å; D127-K131 WeakPolarHBondContact O-CB 3.29Å; D127-K131 PolarHBondContact O-N 3.21Å
128	L	93.4	Very high	91.4	Very high	77 Å²	77	101.4 Å²	101.4	40%	0.403	53%	0.533	S	S	.	.	H	α-helix	trans	-63.3	-45.5	175.6	-172.2	61.4	0	0	0	111.2	L120 G124 E125 N126 A130 K131 V132	L120-L128 HydrophobicContact CD2-CD1 4.11Å; G124-L128 WeakPolarHBondContact O-CB 3.27Å; G124-L128 PolarHBondContact O-N 2.89Å; E125-L128 PolarHBondContact O-N 3.47Å; N126-L128 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 3.36Å; L128-K131 PolarHBondContact O-N 2.97Å; L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 2.86Å
129	N	94	Very high	91.9	Very high	82 Å²	82	100.7 Å²	100.7	44%	0.439	53%	0.533	S	S	.	.	H	α-helix	trans	-61.1	-42.2	175.6	-82.5	-38	0	0	0	112.5	E125 N126 K131 K133	E125-N129 WeakPolarHBondContact O-CB 3.46Å; E125-N129 PolarHBondContact O-N 2.97Å; E125-N129 PolarHBondContact O-ND2 2.82Å; N126-N129 PolarHBondContact O-N 2.92Å; N129-K131 VanDerWaalsContact C-N 3.34Å; N129-K133 WeakPolarHBondContact O-CG 3.49Å; N129-K133 PolarHBondContact O-N 3.45Å; N129-K133 VanDerWaalsContact O-N 3.17Å
130	A	93.6	Very high	92.5	Very high	60 Å²	60	100 Å²	100	50%	0.496	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-42.3	174.3	0	0	0	0	0	111.4	N126 D127 L128 K133 Q134	N126-A130 PolarHBondContact O-N 3.33Å; D127-A130 PolarHBondContact O-N 2.96Å; L128-A130 PolarHBondContact O-N 3.36Å; A130-K133 PolarHBondContact O-N 2.84Å; A130-Q134 PolarHBondContact O-N 3.49Å
131	K	91.8	Very high	93	Very high	58 Å²	58	100.4 Å²	100.4	25%	0.252	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-42.3	178.7	-170.7	62.7	177.8	-179.8	0	112.3	D127 L128 N129 Q134 L135	D127-K131 WeakPolarHBondContact O-CB 3.29Å; D127-K131 PolarHBondContact O-N 3.21Å; L128-K131 PolarHBondContact O-N 2.97Å; N129-K131 VanDerWaalsContact C-N 3.34Å; K131-Q134 VanDerWaalsContact NZ-OE1 3.15Å; K131-Q134 PolarHBondContact O-N 2.86Å; K131-L135 HydrophobicContact CG-CD1 4.27Å; K131-L135 WeakPolarHBondContact O-CG 3.3Å; K131-L135 PolarHBondContact O-N 3.26Å
132	V	93.2	Very high	93.5	Very high	83 Å²	83	96.4 Å²	96.4	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-46	176	170.5	0	0	0	0	110.8	L128 Q134 L135 Y136	L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 2.86Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 3.41Å; V132-L135 PolarHBondContact O-N 2.91Å; V132-Y136 WeakPolarHBondContact O-CB 3.43Å; V132-Y136 PolarHBondContact O-N 3.45Å
133	K	95.6	Very high	94.1	Very high	156 Å²	156	97 Å²	97	68%	0.678	48%	0.483	S	S	*	.	H	α-helix	trans	-61.5	-41.8	176.4	-71.1	177	-178.5	178.5	0	112.3	N129 A130 Y136 E137	N129-K133 WeakPolarHBondContact O-CG 3.49Å; N129-K133 PolarHBondContact O-N 3.45Å; N129-K133 VanDerWaalsContact O-N 3.17Å; A130-K133 PolarHBondContact O-N 2.84Å; K133-Y136 PolarHBondContact O-N 3.43Å; K133-E137 PolarHBondContact O-N 2.91Å
134	Q	94.1	Very high	94.6	Very high	120 Å²	120	95.5 Å²	95.5	56%	0.561	48%	0.483	S	S	*	.	H	α-helix	trans	-61.8	-46.3	176.4	-171.9	-168	17.9	0	0	111.7	A130 K131 V132 R138	A130-Q134 PolarHBondContact O-N 3.49Å; K131-Q134 VanDerWaalsContact NZ-OE1 3.15Å; K131-Q134 PolarHBondContact O-N 2.86Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 3.41Å; Q134-R138 WeakPolarHBondContact O-CB 3.37Å; Q134-R138 PolarHBondContact O-N 2.83Å
135	L	94.2	Very high	94.8	Very high	60 Å²	60	97.4 Å²	97.4	31%	0.314	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-40.5	178.5	-70.7	174.1	0	0	0	111.5	L118 K131 V132 R138 V139	L118-L135 HydrophobicContact CD1-CD1 4.19Å; L118-L135 HydrophobicContact CD1-CD2 4.32Å; L118-L135 HydrophobicContact CD2-CD1 4.08Å; L118-L135 HydrophobicContact CG-CD1 4.42Å; K131-L135 HydrophobicContact CG-CD1 4.27Å; K131-L135 WeakPolarHBondContact O-CG 3.3Å; K131-L135 PolarHBondContact O-N 3.26Å; V132-L135 PolarHBondContact O-N 2.91Å; L135-R138 PolarHBondContact O-N 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.44Å
136	Y	96	Very high	95.1	Very high	166 Å²	166	94.2 Å²	94.2	65%	0.651	47%	0.468	S	S	*	.	H	α-helix	trans	-60.3	-49.5	176.2	178.2	-95.6	0	0	0	112.1	V132 K133 R138 V139 R140	V132-Y136 WeakPolarHBondContact O-CB 3.43Å; V132-Y136 PolarHBondContact O-N 3.45Å; K133-Y136 PolarHBondContact O-N 3.43Å; Y136-R138 VanDerWaalsContact C-N 3.27Å; Y136-R138 PolarHBondContact O-N 3.22Å; Y136-V139 PolarHBondContact O-N 3.46Å; Y136-R140 WeakPolarHBondContact O-CB 3.45Å; Y136-R140 PolarHBondContact O-N 2.94Å
137	E	96.4	Very high	95.3	Very high	73 Å²	73	93.8 Å²	93.8	34%	0.341	46%	0.457	S	S	.	.	H	α-helix	trans	-62.9	-37.7	177.5	-177.1	55.1	-149.1	0	0	111.2	K133 V139 R140 Q141	K133-E137 PolarHBondContact O-N 2.91Å; E137-V139 PolarHBondContact O-N 3Å; E137-R140 PolarHBondContact O-N 3.48Å; E137-R140 IonicContact OE1-NH1 2.62Å; E137-R140 PolarHBondContact OE1-NH1 3.4Å; E137-R140 IonicContact OE2-NH1 3.24Å; E137-Q141 WeakPolarHBondContact O-CG 3.36Å; E137-Q141 PolarHBondContact O-N 3.25Å; E137-Q141 PolarHBondContact OE1-NE2 2.84Å
138	R	94.6	Very high	95.6	Very high	95 Å²	95	94 Å²	94	36%	0.358	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-44.3	175.7	-176.1	62.5	-177.1	130.3	-5.7	112.3	Q134 L135 Y136 Q141 L142	Q134-R138 WeakPolarHBondContact O-CB 3.37Å; Q134-R138 PolarHBondContact O-N 2.83Å; L135-R138 PolarHBondContact O-N 3.31Å; Y136-R138 VanDerWaalsContact C-N 3.27Å; Y136-R138 PolarHBondContact O-N 3.22Å; R138-Q141 PolarHBondContact O-N 3.39Å; R138-L142 HydrophobicContact CG-CD1 4.21Å; R138-L142 WeakPolarHBondContact O-CG 3.31Å; R138-L142 PolarHBondContact O-N 3.38Å
139	V	95.9	Very high	95.8	Very high	92 Å²	92	98.3 Å²	98.3	56%	0.558	47%	0.47	S	S	*	.	H	α-helix	trans	-63.7	-44.4	176.8	169.5	0	0	0	0	110.6	L135 Y136 E137 Q141 L142 E143	L135-V139 WeakPolarHBondContact O-CG2 3.37Å; L135-V139 PolarHBondContact O-N 3.44Å; Y136-V139 PolarHBondContact O-N 3.46Å; E137-V139 PolarHBondContact O-N 3Å; V139-Q141 VanDerWaalsContact C-N 3.31Å; V139-Q141 PolarHBondContact O-N 2.88Å; V139-L142 PolarHBondContact O-N 2.9Å; V139-E143 PolarHBondContact O-N 3.38Å
140	R	97.2	Very high	96	Very high	156 Å²	156	98.5 Å²	98.5	59%	0.589	47%	0.468	S	S	*	.	H	α-helix	trans	-56.4	-45	176.7	178.8	178.7	171.6	-92.8	-7.4	112	Y136 E137 E143 G144	Y136-R140 WeakPolarHBondContact O-CB 3.45Å; Y136-R140 PolarHBondContact O-N 2.94Å; E137-R140 PolarHBondContact O-N 3.48Å; E137-R140 IonicContact OE1-NH1 2.62Å; E137-R140 PolarHBondContact OE1-NH1 3.4Å; E137-R140 IonicContact OE2-NH1 3.24Å; R140-E143 PolarHBondContact O-N 3.25Å; R140-G144 PolarHBondContact O-N 3.49Å; R140-G144 VanDerWaalsContact O-N 3.16Å
141	Q	96.8	Very high	96.2	Very high	93 Å²	93	97.6 Å²	97.6	44%	0.435	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-45.7	176.5	-70.4	170.9	6.5	0	0	112.1	E137 R138 V139 E143 G144 D145	E137-Q141 WeakPolarHBondContact O-CG 3.36Å; E137-Q141 PolarHBondContact O-N 3.25Å; E137-Q141 PolarHBondContact OE1-NE2 2.84Å; R138-Q141 PolarHBondContact O-N 3.39Å; V139-Q141 VanDerWaalsContact C-N 3.31Å; V139-Q141 PolarHBondContact O-N 2.88Å; Q141-E143 VanDerWaalsContact C-N 3.29Å; Q141-E143 PolarHBondContact O-N 2.89Å; Q141-G144 PolarHBondContact O-N 2.65Å; Q141-D145 PolarHBondContact O-N 3.4Å
142	L	96.1	Very high	96.5	Very high	72 Å²	72	99.6 Å²	99.6	38%	0.377	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-34.3	178.5	-74.2	172.4	0	0	0	112.8	R138 V139 K146	R138-L142 HydrophobicContact CG-CD1 4.21Å; R138-L142 WeakPolarHBondContact O-CG 3.31Å; R138-L142 PolarHBondContact O-N 3.38Å; V139-L142 PolarHBondContact O-N 2.9Å; L142-K146 VanDerWaalsContact O-CB 3.26Å; L142-K146 WeakPolarHBondContact O-CB 3.49Å; L142-K146 PolarHBondContact O-N 3.14Å
143	E	97.4	Very high	96.7	Very high	100 Å²	100	100.2 Å²	100.2	47%	0.467	46%	0.462	S	S	.	.	H	α-helix	trans	-69.3	-37.8	175.3	-167.4	61.7	-152.9	0	0	111.4	V139 R140 Q141 K146 Y147	V139-E143 PolarHBondContact O-N 3.38Å; R140-E143 PolarHBondContact O-N 3.25Å; Q141-E143 VanDerWaalsContact C-N 3.29Å; Q141-E143 PolarHBondContact O-N 2.89Å; E143-K146 PolarHBondContact O-N 2.63Å; E143-K146 IonicContact OE1-NZ 3.27Å; E143-K146 PolarHBondContact OE1-NZ 3.31Å; E143-K146 IonicContact OE2-NZ 3.66Å; E143-K146 PolarHBondContact OE2-NZ 3.02Å; E143-Y147 PolarHBondContact O-N 2.9Å
144	G	97.2	Very high	96.7	Very high	35 Å²	35	99.5 Å²	99.5	36%	0.361	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-51.1	170.6	0	0	0	0	0	112.1	R140 Q141 K146 Y147 D148	R140-G144 PolarHBondContact O-N 3.49Å; R140-G144 VanDerWaalsContact O-N 3.16Å; Q141-G144 PolarHBondContact O-N 2.65Å; G144-K146 VanDerWaalsContact C-N 3.27Å; G144-K146 PolarHBondContact O-N 2.62Å; G144-Y147 WeakPolarHBondContact O-CB 3.48Å; G144-Y147 PolarHBondContact O-N 2.86Å; G144-Y147 VanDerWaalsContact O-N 3.15Å; G144-D148 PolarHBondContact O-N 3.39Å
145	D	97.1	Very high	96.8	Very high	79 Å²	79	102.5 Å²	102.5	42%	0.422	46%	0.461	S	S	.	.	H	α-helix	trans	-57	-43	176.9	-69.1	-21.2	0	0	0	111.3	Q141 D148 W149	Q141-D145 PolarHBondContact O-N 3.4Å; D145-D148 PolarHBondContact O-N 2.85Å; D145-W149 PolarHBondContact O-N 2.86Å
146	K	97.4	Very high	97	Very high	89 Å²	89	103.9 Å²	103.9	39%	0.387	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-46.8	177.6	173.8	-174.3	152.4	-142.9	0	111.1	L142 E143 G144 D148 W149 E150	L142-K146 VanDerWaalsContact O-CB 3.26Å; L142-K146 WeakPolarHBondContact O-CB 3.49Å; L142-K146 PolarHBondContact O-N 3.14Å; E143-K146 PolarHBondContact O-N 2.63Å; E143-K146 IonicContact OE1-NZ 3.27Å; E143-K146 PolarHBondContact OE1-NZ 3.31Å; E143-K146 IonicContact OE2-NZ 3.66Å; E143-K146 PolarHBondContact OE2-NZ 3.02Å; G144-K146 VanDerWaalsContact C-N 3.27Å; G144-K146 PolarHBondContact O-N 2.62Å; K146-D148 VanDerWaalsContact C-N 3.32Å; K146-D148 PolarHBondContact O-N 2.87Å; K146-W149 PolarHBondContact O-N 3.41Å; K146-E150 WeakPolarHBondContact CE-OE1 3.47Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 WeakPolarHBondContact O-CG 3.24Å; K146-E150 PolarHBondContact O-N 2.63Å
147	Y	97.8	Very high	97	Very high	124 Å²	124	100.1 Å²	100.1	49%	0.486	46%	0.457	S	S	.	.	H	α-helix	trans	-58.7	-44.3	177.5	178	-101.1	0	0	0	111.8	E143 G144 W149 E150 E151	E143-Y147 PolarHBondContact O-N 2.9Å; G144-Y147 WeakPolarHBondContact O-CB 3.48Å; G144-Y147 PolarHBondContact O-N 2.86Å; G144-Y147 VanDerWaalsContact O-N 3.15Å; Y147-W149 VanDerWaalsContact C-N 3.32Å; Y147-W149 PolarHBondContact O-N 3.01Å; Y147-E150 PolarHBondContact O-N 3.46Å; Y147-E151 HydrophobicContact CD1-CG 4.35Å; Y147-E151 HydrophobicContact CE1-CG 3.78Å; Y147-E151 HydrophobicContact CE2-CG 4Å; Y147-E151 PolarHBondContact O-N 2.94Å; Y147-E151 PolarHBondContact OH-OE1 3.44Å
148	D	97.6	Very high	96.9	Very high	105 Å²	105	102.5 Å²	102.5	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-61	-41	177	-71.9	-18	0	0	0	112	G144 D145 K146 K152	G144-D148 PolarHBondContact O-N 3.39Å; D145-D148 PolarHBondContact O-N 2.85Å; K146-D148 VanDerWaalsContact C-N 3.32Å; K146-D148 PolarHBondContact O-N 2.87Å; D148-K152 WeakPolarHBondContact O-CB 3.47Å; D148-K152 PolarHBondContact O-N 3.47Å
149	W	97.9	Very high	97	Very high	166 Å²	166	103.5 Å²	103.5	63%	0.629	48%	0.476	S	S	*	.	H	α-helix	trans	-66.2	-39.3	174.5	-77.3	115.9	0	0	0	112.9	D145 K146 Y147 K152 L153	D145-W149 PolarHBondContact O-N 2.86Å; K146-W149 PolarHBondContact O-N 3.41Å; Y147-W149 VanDerWaalsContact C-N 3.32Å; Y147-W149 PolarHBondContact O-N 3.01Å; W149-K152 HydrophobicContact CE3-CD 4.06Å; W149-K152 HydrophobicContact CZ3-CD 3.87Å; W149-K152 PolarHBondContact O-N 3.48Å; W149-L153 WeakPolarHBondContact O-CB 3.28Å; W149-L153 PolarHBondContact O-N 3.47Å
150	E	97.8	Very high	97	Very high	86 Å²	86	103.8 Å²	103.8	40%	0.402	47%	0.473	S	S	.	.	H	α-helix	trans	-65.7	-43.8	177	-74.2	177.5	178	0	0	112	K146 Y147 L153 R154	K146-E150 WeakPolarHBondContact CE-OE1 3.47Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 WeakPolarHBondContact O-CG 3.24Å; K146-E150 PolarHBondContact O-N 2.63Å; Y147-E150 PolarHBondContact O-N 3.46Å; E150-L153 PolarHBondContact O-N 3.31Å; E150-R154 WeakPolarHBondContact O-CB 3.42Å; E150-R154 PolarHBondContact O-N 3.49Å
151	E	97.7	Very high	96.8	Very high	41 Å²	41	100.6 Å²	100.6	19%	0.192	47%	0.468	C	S	.	.	H	α-helix	trans	-62.3	-43	174	-78.5	-63.2	140	0	0	111.6	Y147 R154 R155	Y147-E151 HydrophobicContact CD1-CG 4.35Å; Y147-E151 HydrophobicContact CE1-CG 3.78Å; Y147-E151 HydrophobicContact CE2-CG 4Å; Y147-E151 PolarHBondContact O-N 2.94Å; Y147-E151 PolarHBondContact OH-OE1 3.44Å; E151-R154 PolarHBondContact O-N 3.34Å; E151-R154 IonicContact OE1-CZ 3.37Å; E151-R154 IonicContact OE1-NH1 3.62Å; E151-R154 PolarHBondContact OE1-NH1 2.92Å; E151-R154 IonicContact OE1-NH2 3.81Å; E151-R154 PolarHBondContact OE1-NH2 2.86Å; E151-R154 IonicContact OE2-NH1 2.62Å; E151-R155 WeakPolarHBondContact O-CG 3.45Å; E151-R155 PolarHBondContact O-N 2.9Å
152	K	97.9	Very high	96.6	Very high	101 Å²	101	99.9 Å²	99.9	44%	0.439	46%	0.464	S	S	.	.	H	α-helix	trans	-62.4	-45.8	175.9	-175.9	175.3	177.6	177.2	0	111.6	D148 W149 R154 R155 Q156	D148-K152 WeakPolarHBondContact O-CB 3.47Å; D148-K152 PolarHBondContact O-N 3.47Å; W149-K152 HydrophobicContact CE3-CD 4.06Å; W149-K152 HydrophobicContact CZ3-CD 3.87Å; W149-K152 PolarHBondContact O-N 3.48Å; K152-R154 VanDerWaalsContact C-N 3.34Å; K152-R154 PolarHBondContact O-N 3.28Å; K152-R155 PolarHBondContact O-N 2.9Å; K152-Q156 WeakPolarHBondContact O-CG 3.22Å; K152-Q156 PolarHBondContact O-N 3.09Å
153	L	97.6	Very high	96.4	Very high	95 Å²	95	100.6 Å²	100.6	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-45	177.2	-179.7	62.4	0	0	0	110.9	W149 E150 R155 Q156 D157	W149-L153 WeakPolarHBondContact O-CB 3.28Å; W149-L153 PolarHBondContact O-N 3.47Å; E150-L153 PolarHBondContact O-N 3.31Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 3.4Å; L153-Q156 PolarHBondContact O-N 3.41Å; L153-Q156 VanDerWaalsContact O-N 3.13Å; L153-D157 PolarHBondContact O-N 3.45Å
154	R	96.4	Very high	96.1	Very high	141 Å²	141	99.1 Å²	99.1	53%	0.532	47%	0.466	S	S	.	.	H	α-helix	trans	-59.9	-41.5	177.7	-166.8	-174.2	-58.1	142.7	9.9	112.4	E150 E151 K152 F158	E150-R154 WeakPolarHBondContact O-CB 3.42Å; E150-R154 PolarHBondContact O-N 3.49Å; E151-R154 PolarHBondContact O-N 3.34Å; E151-R154 IonicContact OE1-CZ 3.37Å; E151-R154 IonicContact OE1-NH1 3.62Å; E151-R154 PolarHBondContact OE1-NH1 2.92Å; E151-R154 IonicContact OE1-NH2 3.81Å; E151-R154 PolarHBondContact OE1-NH2 2.86Å; E151-R154 IonicContact OE2-NH1 2.62Å; K152-R154 VanDerWaalsContact C-N 3.34Å; K152-R154 PolarHBondContact O-N 3.28Å; R154-F158 WeakPolarHBondContact O-CB 3.3Å; R154-F158 PolarHBondContact O-N 3.09Å
155	R	96.6	Very high	95.7	Very high	183 Å²	183	101.4 Å²	101.4	69%	0.691	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-43.2	175.1	-71.5	171.7	-176	-103	1.3	111.6	E151 K152 L153 F158 E159	E151-R155 WeakPolarHBondContact O-CG 3.45Å; E151-R155 PolarHBondContact O-N 2.9Å; K152-R155 PolarHBondContact O-N 2.9Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 3.4Å; R155-F158 PolarHBondContact O-N 2.87Å; R155-E159 PolarHBondContact O-N 3.49Å
156	Q	96.9	Very high	95.2	Very high	89 Å²	89	102.9 Å²	102.9	42%	0.416	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-41.6	177.8	-70.6	-178.6	-59.4	0	0	112	K152 L153 F158 E159 I160	K152-Q156 WeakPolarHBondContact O-CG 3.22Å; K152-Q156 PolarHBondContact O-N 3.09Å; L153-Q156 PolarHBondContact O-N 3.41Å; L153-Q156 VanDerWaalsContact O-N 3.13Å; Q156-F158 VanDerWaalsContact C-N 3.31Å; Q156-F158 PolarHBondContact O-N 2.88Å; Q156-E159 PolarHBondContact O-N 3.43Å; Q156-I160 WeakPolarHBondContact O-CB 3.48Å; Q156-I160 VanDerWaalsContact O-CG1 3.24Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 2.88Å
157	D	96.9	Very high	94.7	Very high	87 Å²	87	102.1 Å²	102.1	47%	0.465	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176	-74.1	-24.6	0	0	0	111.4	L153 I160 N161	L153-D157 PolarHBondContact O-N 3.45Å; D157-I160 PolarHBondContact O-N 3.28Å; D157-N161 WeakPolarHBondContact O-CB 3.38Å; D157-N161 PolarHBondContact O-N 2.62Å
158	F	95.1	Very high	94	Very high	124 Å²	124	100.4 Å²	100.4	54%	0.544	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-46.9	173.9	-177.8	-96.1	0	0	0	111.7	R154 R155 Q156 N161 E162	R154-F158 WeakPolarHBondContact O-CB 3.3Å; R154-F158 PolarHBondContact O-N 3.09Å; R155-F158 PolarHBondContact O-N 2.87Å; Q156-F158 VanDerWaalsContact C-N 3.31Å; Q156-F158 PolarHBondContact O-N 2.88Å; F158-N161 PolarHBondContact O-N 3.37Å; F158-E162 HydrophobicContact CD1-CG 4.26Å; F158-E162 HydrophobicContact CE1-CG 3.8Å; F158-E162 WeakPolarHBondContact CE1-OE1 3.42Å; F158-E162 HydrophobicContact CZ-CG 4Å; F158-E162 VanDerWaalsContact CZ-OE1 3.23Å; F158-E162 WeakPolarHBondContact CZ-OE1 3.28Å; F158-E162 PolarHBondContact O-N 2.88Å
159	E	95.9	Very high	93.2	Very high	115 Å²	115	100.9 Å²	100.9	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176.4	-175.9	178.5	-170.1	0	0	112.1	R155 Q156 N161 E162 L163	R155-E159 PolarHBondContact O-N 3.49Å; Q156-E159 PolarHBondContact O-N 3.43Å; E159-N161 VanDerWaalsContact C-N 3.32Å; E159-N161 PolarHBondContact O-N 2.6Å; E159-E162 PolarHBondContact O-N 2.9Å; E159-L163 HydrophobicContact CG-CD1 4.02Å; E159-L163 HydrophobicContact CG-CG 4.45Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 VanDerWaalsContact O-CG 3.27Å; E159-L163 WeakPolarHBondContact O-CG 3.49Å; E159-L163 PolarHBondContact O-N 2.73Å
160	I	95.7	Very high	92.4	Very high	99 Å²	99	99.1 Å²	99.1	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-43.2	176	-71.3	166.1	0	0	0	110.5	Q156 D157 L163 T164	Q156-I160 WeakPolarHBondContact O-CB 3.48Å; Q156-I160 VanDerWaalsContact O-CG1 3.24Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 2.88Å; D157-I160 PolarHBondContact O-N 3.28Å; I160-L163 PolarHBondContact O-N 3.19Å; I160-T164 VanDerWaalsContact O-CB 3.27Å; I160-T164 WeakPolarHBondContact O-CB 3.46Å; I160-T164 PolarHBondContact O-N 3.03Å; I160-T164 PolarHBondContact O-OG1 2.96Å
161	N	93.6	Very high	91.3	Very high	89 Å²	89	102.6 Å²	102.6	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-46.3	177.6	-176.6	56.2	0	0	0	111.5	D157 F158 E159 L163 T164 I165	D157-N161 WeakPolarHBondContact O-CB 3.38Å; D157-N161 PolarHBondContact O-N 2.62Å; F158-N161 PolarHBondContact O-N 3.37Å; E159-N161 VanDerWaalsContact C-N 3.32Å; E159-N161 PolarHBondContact O-N 2.6Å; N161-L163 PolarHBondContact O-N 3.27Å; N161-T164 WeakPolarHBondContact O-CB 3.47Å; N161-T164 PolarHBondContact O-N 3.48Å; N161-I165 WeakPolarHBondContact O-CG1 3.44Å; N161-I165 PolarHBondContact O-N 2.85Å
162	E	92.1	Very high	90.1	Very high	77 Å²	77	102.3 Å²	102.3	36%	0.36	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-45.8	174.4	-76.7	-156.6	166.8	0	0	112.4	F158 E159 T164 I165 K166	F158-E162 HydrophobicContact CD1-CG 4.26Å; F158-E162 HydrophobicContact CE1-CG 3.8Å; F158-E162 WeakPolarHBondContact CE1-OE1 3.42Å; F158-E162 HydrophobicContact CZ-CG 4Å; F158-E162 VanDerWaalsContact CZ-OE1 3.23Å; F158-E162 WeakPolarHBondContact CZ-OE1 3.28Å; F158-E162 PolarHBondContact O-N 2.88Å; E159-E162 PolarHBondContact O-N 2.9Å; E162-T164 VanDerWaalsContact C-N 3.32Å; E162-T164 PolarHBondContact O-N 2.91Å; E162-I165 PolarHBondContact O-N 3.22Å; E162-K166 VanDerWaalsContact O-CG 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.4Å; E162-K166 PolarHBondContact O-N 2.98Å; E162-K166 IonicContact OE2-NZ 3.64Å; E162-K166 PolarHBondContact OE2-NZ 2.97Å; E162-K166 VanDerWaalsContact OE2-NZ 3.11Å
163	L	92.4	Very high	88.7	Confident	87 Å²	87	107.4 Å²	107.4	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-37.8	178.1	-72	173.1	0	0	0	111.5	E159 I160 N161 I165 K166 V167	E159-L163 HydrophobicContact CG-CD1 4.02Å; E159-L163 HydrophobicContact CG-CG 4.45Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 VanDerWaalsContact O-CG 3.27Å; E159-L163 WeakPolarHBondContact O-CG 3.49Å; E159-L163 PolarHBondContact O-N 2.73Å; I160-L163 PolarHBondContact O-N 3.19Å; N161-L163 PolarHBondContact O-N 3.27Å; L163-I165 VanDerWaalsContact C-N 3.34Å; L163-K166 HydrophobicContact CD2-CD 4.42Å; L163-K166 PolarHBondContact O-N 3.17Å; L163-V167 WeakPolarHBondContact O-CB 3.35Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.48Å; L163-V167 PolarHBondContact O-N 2.89Å
164	T	90.2	Very high	87.5	Confident	69 Å²	69	110.5 Å²	110.5	42%	0.423	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-42.5	175.4	-61.5	0	0	0	0	111	I160 N161 E162 V167 N168	I160-T164 VanDerWaalsContact O-CB 3.27Å; I160-T164 WeakPolarHBondContact O-CB 3.46Å; I160-T164 PolarHBondContact O-N 3.03Å; I160-T164 PolarHBondContact O-OG1 2.96Å; N161-T164 WeakPolarHBondContact O-CB 3.47Å; N161-T164 PolarHBondContact O-N 3.48Å; E162-T164 VanDerWaalsContact C-N 3.32Å; E162-T164 PolarHBondContact O-N 2.91Å; T164-V167 PolarHBondContact O-N 2.9Å; T164-N168 WeakPolarHBondContact O-CB 3.47Å; T164-N168 PolarHBondContact O-N 3.38Å; T164-N168 PolarHBondContact O-ND2 3.47Å
165	I	88.4	Confident	86.3	Confident	83 Å²	83	110 Å²	110	43%	0.426	55%	0.55	S	S	.	.	H	α-helix	trans	-62.2	-50.5	173.9	-66.1	164.6	0	0	0	110.2	N161 E162 L163 V167 N168 D169	N161-I165 WeakPolarHBondContact O-CG1 3.44Å; N161-I165 PolarHBondContact O-N 2.85Å; E162-I165 PolarHBondContact O-N 3.22Å; L163-I165 VanDerWaalsContact C-N 3.34Å; I165-V167 VanDerWaalsContact C-N 3.32Å; I165-V167 PolarHBondContact O-N 2.93Å; I165-N168 PolarHBondContact O-N 2.85Å; I165-D169 PolarHBondContact O-N 3.21Å
166	K	87.9	Confident	85.1	Confident	110 Å²	110	108.8 Å²	108.8	48%	0.478	55%	0.549	S	S	.	.	H	α-helix	trans	-56.7	-43.8	178	-71.7	165.8	-174.2	158.9	0	111.9	E162 L163 N168 D169 V170	E162-K166 VanDerWaalsContact O-CG 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.4Å; E162-K166 PolarHBondContact O-N 2.98Å; E162-K166 IonicContact OE2-NZ 3.64Å; E162-K166 PolarHBondContact OE2-NZ 2.97Å; E162-K166 VanDerWaalsContact OE2-NZ 3.11Å; L163-K166 HydrophobicContact CD2-CD 4.42Å; L163-K166 PolarHBondContact O-N 3.17Å; K166-N168 VanDerWaalsContact C-N 3.33Å; K166-N168 PolarHBondContact O-N 3.35Å; K166-D169 PolarHBondContact O-N 3.29Å; K166-V170 VanDerWaalsContact O-CG2 3.23Å; K166-V170 WeakPolarHBondContact O-CG2 3.5Å; K166-V170 PolarHBondContact O-N 3.17Å
167	V	86.2	Confident	84.2	Confident	74 Å²	74	108.6 Å²	108.6	45%	0.448	56%	0.556	S	S	.	*	H	α-helix	trans	-64.8	-37.3	176.7	167.9	0	0	0	0	111.7	L163 T164 I165 K171	L163-V167 WeakPolarHBondContact O-CB 3.35Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.48Å; L163-V167 PolarHBondContact O-N 2.89Å; T164-V167 PolarHBondContact O-N 2.9Å; I165-V167 VanDerWaalsContact C-N 3.32Å; I165-V167 PolarHBondContact O-N 2.93Å; V167-K171 HydrophobicContact CG1-CD 4.34Å; V167-K171 WeakPolarHBondContact O-CG 3.25Å; V167-K171 PolarHBondContact O-N 2.82Å; V167-K171 VanDerWaalsContact O-N 3.14Å
168	N	83.1	Confident	83.2	Confident	88 Å²	88	111.3 Å²	111.3	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-70.3	-40	176.9	-72.2	-24	0	0	0	112.2	T164 I165 K166 K171 G172	T164-N168 WeakPolarHBondContact O-CB 3.47Å; T164-N168 PolarHBondContact O-N 3.38Å; T164-N168 PolarHBondContact O-ND2 3.47Å; I165-N168 PolarHBondContact O-N 2.85Å; K166-N168 VanDerWaalsContact C-N 3.33Å; K166-N168 PolarHBondContact O-N 3.35Å; N168-K171 PolarHBondContact O-N 2.93Å; N168-G172 PolarHBondContact O-N 3.35Å
169	D	81.7	Confident	82.3	Confident	114 Å²	114	112 Å²	112	61%	0.61	58%	0.584	S	S	*	*	H	α-helix	trans	-63.9	-40.1	175.4	-74.5	-18.9	0	0	0	111.8	I165 K166 K171 G172	I165-D169 PolarHBondContact O-N 3.21Å; K166-D169 PolarHBondContact O-N 3.29Å; D169-K171 VanDerWaalsContact C-N 3.35Å; D169-K171 PolarHBondContact O-N 2.97Å; D169-G172 WeakPolarHBondContact O-CA 3.45Å; D169-G172 PolarHBondContact O-N 3.46Å
170	V	81	Confident	81.6	Confident	129 Å²	129	115.7 Å²	115.7	78%	0.782	60%	0.598	S	S	*	*	H	α-helix	trans	-65.4	-35.6	175.7	171.8	0	0	0	0	112.2	K166 G172	K166-V170 VanDerWaalsContact O-CG2 3.23Å; K166-V170 WeakPolarHBondContact O-CG2 3.5Å; K166-V170 PolarHBondContact O-N 3.17Å; V170-G172 PolarHBondContact O-N 3.44Å; V170-G172 VanDerWaalsContact O-N 3.13Å
171	K	73.9	Confident	80.7	Confident	160 Å²	160	121.1 Å²	121.1	70%	0.696	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-7.7	173.7	-75	172.7	-178.5	172.4	0	112.9	V167 N168 D169	V167-K171 HydrophobicContact CG1-CD 4.34Å; V167-K171 WeakPolarHBondContact O-CG 3.25Å; V167-K171 PolarHBondContact O-N 2.82Å; V167-K171 VanDerWaalsContact O-N 3.14Å; N168-K171 PolarHBondContact O-N 2.93Å; D169-K171 VanDerWaalsContact C-N 3.35Å; D169-K171 PolarHBondContact O-N 2.97Å
172	G	71.8	Confident	79.7	Confident	35 Å²	35	122.4 Å²	122.4	36%	0.361	63%	0.629	S	S	.	*			trans	83	135.3	-178.8	0	0	0	0	0	111.3	N168 D169 V170 F174	N168-G172 PolarHBondContact O-N 3.35Å; D169-G172 WeakPolarHBondContact O-CA 3.45Å; D169-G172 PolarHBondContact O-N 3.46Å; V170-G172 PolarHBondContact O-N 3.44Å; V170-G172 VanDerWaalsContact O-N 3.13Å; G172-F174 PolarHBondContact O-N 2.7Å
173	K	70.1	Confident	78.9	Confident	208 Å²	208	122.4 Å²	122.4	90%	0.904	64%	0.637	S	S	*	*	S	Bend	trans	-55.1	-0.6	174.2	64.3	-172	174.9	-168.3	0	115.8	V175	K173-V175 PolarHBondContact O-N 2.99Å
174	F	71.5	Confident	77.9	Confident	160 Å²	160	126.4 Å²	126.4	70%	0.702	65%	0.651	S	S	*	*			trans	-91.5	77.3	178.3	-167.9	-100.8	0	0	0	110	G172 K176	G172-F174 PolarHBondContact O-N 2.7Å; F174-K176 VanDerWaalsContact C-N 3.35Å; F174-K176 HydrophobicContact CD1-CB 4.29Å; F174-K176 HydrophobicContact CE1-CB 3.97Å; F174-K176 HydrophobicContact CE1-CG 4.08Å; F174-K176 PolarHBondContact O-N 3.24Å
175	V	71.5	Confident	76.7	Confident	130 Å²	130	127.7 Å²	127.7	79%	0.788	66%	0.659	S	S	*	*			trans	-67.6	99.2	164.9	-179	0	0	0	0	106.9	K173 P177	K173-V175 PolarHBondContact O-N 2.99Å; V175-P177 WeakPolarHBondContact O-CD 3.4Å
176	K	72.2	Confident	75.5	Confident	158 Å²	158	130.9 Å²	130.9	69%	0.687	67%	0.672	S	S	*	*			trans	-59.1	109.7	178.4	-169	170.3	-175.6	175.8	0	108.1	F174 V178	F174-K176 VanDerWaalsContact C-N 3.35Å; F174-K176 HydrophobicContact CD1-CB 4.29Å; F174-K176 HydrophobicContact CE1-CB 3.97Å; F174-K176 HydrophobicContact CE1-CG 4.08Å; F174-K176 PolarHBondContact O-N 3.24Å; K176-V178 PolarHBondContact O-N 3.04Å
177	P	76	Confident	74.3	Confident	84 Å²	84	128.1 Å²	128.1	55%	0.545	67%	0.666	S	S	.	*			trans	-61.8	143.8	-177.2	25.1	-32.9	0	0	0	109.1	V175 L179	V175-P177 WeakPolarHBondContact O-CD 3.4Å; P177-L179 PolarHBondContact O-N 3.18Å
178	V	77.8	Confident	73	Confident	144 Å²	144	129.9 Å²	129.9	87%	0.873	67%	0.669	S	S	*	*			trans	-65.5	100.8	176	-174.3	0	0	0	0	107.6	K176 K180	K176-V178 PolarHBondContact O-N 3.04Å; V178-K180 PolarHBondContact O-N 3.27Å; V178-K180 VanDerWaalsContact O-N 3.14Å
179	L	76.1	Confident	72	Confident	140 Å²	140	130.6 Å²	130.6	73%	0.733	67%	0.671	S	S	*	*			trans	-65	115.7	177	-63.5	176.8	0	0	0	108.5	P177 K181	P177-L179 PolarHBondContact O-N 3.18Å; L179-K181 PolarHBondContact O-N 3.38Å
180	K	79.6	Confident	71.2	Confident	191 Å²	191	127.1 Å²	127.1	83%	0.83	66%	0.658	S	S	*	*			trans	-57.3	134.6	166.4	-70.4	-177.1	-180	174.3	0	107.4	V178 V182	V178-K180 PolarHBondContact O-N 3.27Å; V178-K180 VanDerWaalsContact O-N 3.14Å; K180-V182 PolarHBondContact O-N 3.27Å
181	K	77.8	Confident	70.3	Confident	213 Å²	213	130.5 Å²	130.5	93%	0.926	66%	0.657	S	S	*	*			trans	-62.3	100.8	175	-74.5	-174.1	178.4	-177.5	0	108.5	L179	L179-K181 PolarHBondContact O-N 3.38Å
182	V	72.4	Confident	69.5	Low	117 Å²	117	131 Å²	131	71%	0.709	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-78.4	126.5	163.9	-168.9	0	0	0	0	105.8	K180	K180-V182 PolarHBondContact O-N 3.27Å
183	S	75.3	Confident	69	Low	76 Å²	76	135.5 Å²	135.5	53%	0.531	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-60.5	141.3	173.1	46.8	0	0	0	0	108.8	S187	S183-S187 VanDerWaalsContact CB-OG 3.28Å; S183-S187 WeakPolarHBondContact CB-OG 3.49Å; S183-S187 PolarHBondContact OG-OG 2.98Å
184	K	72.3	Confident	68.5	Low	172 Å²	172	134.7 Å²	134.7	75%	0.748	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-52.5	152.5	179.9	-64.9	178.5	-178.5	178.8	0	109.8	E186 S187	K184-E186 PolarHBondContact O-N 3.28Å; K184-S187 PolarHBondContact O-N 3.48Å; K184-S187 PolarHBondContact O-OG 3.21Å
185	T	64.8	Low	67.4	Low	95 Å²	95	134.1 Å²	134.1	58%	0.583	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.8	-23.4	180	42.6	0	0	0	0	114.3	S187 H188 M189	T185-S187 VanDerWaalsContact C-N 3.26Å; T185-S187 PolarHBondContact O-N 3.34Å; T185-H188 CarbonylContact O-C 3.48Å; T185-H188 WeakPolarHBondContact O-CA 3.38Å; T185-H188 WeakPolarHBondContact O-CB 3.4Å; T185-H188 PolarHBondContact O-N 2.89Å; T185-M189 WeakPolarHBondContact O-CG 3.5Å; T185-M189 PolarHBondContact O-N 3.34Å
186	E	63.3	Low	66.4	Low	150 Å²	150	135.7 Å²	135.7	70%	0.701	66%	0.664	S	S	*	*	H	α-helix	trans	-47	-42.5	170.2	-162.6	168.5	-156.8	0	0	114	K184 H188 M189 A190	K184-E186 PolarHBondContact O-N 3.28Å; E186-H188 VanDerWaalsContact C-N 3.34Å; E186-H188 PolarHBondContact O-N 3.28Å; E186-M189 PolarHBondContact O-N 3.45Å; E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 2.92Å
187	S	61.6	Low	65.2	Low	52 Å²	52	132.3 Å²	132.3	36%	0.364	67%	0.674	S	S	.	*	H	α-helix	trans	-72.1	-25.1	176.5	49.8	0	0	0	0	114.1	S183 K184 T185	S183-S187 VanDerWaalsContact CB-OG 3.28Å; S183-S187 WeakPolarHBondContact CB-OG 3.49Å; S183-S187 PolarHBondContact OG-OG 2.98Å; K184-S187 PolarHBondContact O-N 3.48Å; K184-S187 PolarHBondContact O-OG 3.21Å; T185-S187 VanDerWaalsContact C-N 3.26Å; T185-S187 PolarHBondContact O-N 3.34Å
188	H	59.4	Low	64	Low	111 Å²	111	130.9 Å²	130.9	51%	0.514	67%	0.674	S	S	.	*	H	α-helix	trans	-81.8	-33.3	170.2	-72.7	-85.2	0	0	0	111.5	T185 E186 R191 F192	T185-H188 CarbonylContact O-C 3.48Å; T185-H188 WeakPolarHBondContact O-CA 3.38Å; T185-H188 WeakPolarHBondContact O-CB 3.4Å; T185-H188 PolarHBondContact O-N 2.89Å; E186-H188 VanDerWaalsContact C-N 3.34Å; E186-H188 PolarHBondContact O-N 3.28Å; H188-R191 PolarHBondContact O-N 2.76Å; H188-F192 VanDerWaalsContact O-CD2 3.26Å; H188-F192 WeakPolarHBondContact O-CD2 3.35Å
189	M	62.6	Low	62.7	Low	104 Å²	104	130.8 Å²	130.8	51%	0.512	66%	0.664	S	S	.	*	H	α-helix	trans	-68.3	-37.4	174.7	-68.4	-165.8	-139.2	0	0	112	T185 E186 R191 F192 E193	T185-M189 WeakPolarHBondContact O-CG 3.5Å; T185-M189 PolarHBondContact O-N 3.34Å; E186-M189 PolarHBondContact O-N 3.45Å; M189-R191 PolarHBondContact O-N 2.96Å; M189-R191 VanDerWaalsContact O-N 3.09Å; M189-F192 WeakPolarHBondContact O-CA 3.36Å; M189-F192 WeakPolarHBondContact O-CB 3.38Å; M189-F192 PolarHBondContact O-N 2.84Å; M189-E193 PolarHBondContact O-N 2.95Å
190	A	63.2	Low	61.7	Low	40 Å²	40	128 Å²	128	33%	0.331	66%	0.656	S	S	.	*	H	α-helix	trans	-60.8	-22.7	175.5	0	0	0	0	0	113.3	E186 K194	E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 2.92Å; A190-K194 VanDerWaalsContact O-CB 3.27Å; A190-K194 WeakPolarHBondContact O-CB 3.26Å; A190-K194 WeakPolarHBondContact O-CG 3.27Å; A190-K194 PolarHBondContact O-N 3.06Å
191	R	63.7	Low	60.7	Low	200 Å²	200	124.5 Å²	124.5	76%	0.755	65%	0.646	S	S	*	*	H	α-helix	trans	-77.9	-26.4	171.2	-76.1	-173.2	162.5	-161.8	-4	113.1	H188 M189	H188-R191 PolarHBondContact O-N 2.76Å; M189-R191 PolarHBondContact O-N 2.96Å; M189-R191 VanDerWaalsContact O-N 3.09Å
192	F	55.8	Low	60.1	Low	171 Å²	171	118.5 Å²	118.5	75%	0.75	63%	0.631	S	S	*	*	H	α-helix	trans	-74.4	-43.1	170.6	-73	-79.9	0	0	0	110.5	H188 M189 K195	H188-F192 VanDerWaalsContact O-CD2 3.26Å; H188-F192 WeakPolarHBondContact O-CD2 3.35Å; M189-F192 WeakPolarHBondContact O-CA 3.36Å; M189-F192 WeakPolarHBondContact O-CB 3.38Å; M189-F192 PolarHBondContact O-N 2.84Å; F192-K195 PolarHBondContact O-N 3.09Å
193	E	61.5	Low	59.6	Low	129 Å²	129	115.1 Å²	115.1	60%	0.603	61%	0.612	S	S	*	*	H	α-helix	trans	-67.3	-41.6	176.2	-66.4	-177.7	170.9	0	0	112.3	M189 K195 E196	M189-E193 PolarHBondContact O-N 2.95Å; E193-K195 PolarHBondContact O-N 3.28Å; E193-K195 VanDerWaalsContact O-N 3.1Å; E193-E196 VanDerWaalsContact O-CB 3.22Å; E193-E196 WeakPolarHBondContact O-CB 3.22Å; E193-E196 WeakPolarHBondContact O-CG 3.22Å; E193-E196 PolarHBondContact O-N 3.1Å
194	K	59.2	Low	59.3	Low	191 Å²	191	117.9 Å²	117.9	83%	0.83	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-9.3	176.7	-77.7	-174.1	175.3	-175.4	0	114.7	A190	A190-K194 VanDerWaalsContact O-CB 3.27Å; A190-K194 WeakPolarHBondContact O-CB 3.26Å; A190-K194 WeakPolarHBondContact O-CG 3.27Å; A190-K194 PolarHBondContact O-N 3.06Å
195	K	49.7	Very low	59.1	Low	149 Å²	149	117.6 Å²	117.6	65%	0.648	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	17.4	170.3	-89.2	-170	174.7	-172.3	0	112.9	F192 E193 G197 G198	F192-K195 PolarHBondContact O-N 3.09Å; E193-K195 PolarHBondContact O-N 3.28Å; E193-K195 VanDerWaalsContact O-N 3.1Å; K195-G197 PolarHBondContact O-N 3.47Å; K195-G198 PolarHBondContact O-N 2.98Å
196	E	49.5	Very low	59.3	Low	163 Å²	163	117.7 Å²	117.7	76%	0.762	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-10.5	169.1	-83.2	-174.1	157.6	0	0	114.1	E193 G198	E193-E196 VanDerWaalsContact O-CB 3.22Å; E193-E196 WeakPolarHBondContact O-CB 3.22Å; E193-E196 WeakPolarHBondContact O-CG 3.22Å; E193-E196 PolarHBondContact O-N 3.1Å; E196-G198 VanDerWaalsContact C-N 3.28Å; E196-G198 PolarHBondContact O-N 3.21Å
197	G	48.6	Very low	59.8	Low	87 Å²	87	118.3 Å²	118.3	90%	0.897	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-6.1	172	0	0	0	0	0	116	K195	K195-G197 PolarHBondContact O-N 3.47Å
198	G	50.9	Low	60.4	Low	54 Å²	54	120.4 Å²	120.4	56%	0.557	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.7	-13	-172.1	0	0	0	0	0	119	K195 E196	K195-G198 PolarHBondContact O-N 2.98Å; E196-G198 VanDerWaalsContact C-N 3.28Å; E196-G198 PolarHBondContact O-N 3.21Å
199	H	50.1	Low	60.9	Low	141 Å²	141	124.8 Å²	124.8	65%	0.653	64%	0.641	S	S	*	*			trans	-133.1	71.7	176.4	-62.9	-62.6	0	0	0	110.2	L201	H199-L201 PolarHBondContact O-N 3.35Å
200	S	55	Low	61.3	Low	81 Å²	81	125.1 Å²	125.1	57%	0.566	65%	0.653	S	S	*	*			trans	-46	139.2	163.1	164	0	0	0	0	109.5	S202 S203	S200-S202 PolarHBondContact O-N 2.76Å; S200-S202 WeakPolarHBondContact OG-CB 3.42Å; S200-S202 PolarHBondContact OG-N 3.12Å; S200-S203 WeakPolarHBondContact O-CB 3.42Å; S200-S203 PolarHBondContact O-N 2.91Å
201	L	58.1	Low	61.1	Low	119 Å²	119	129 Å²	129	62%	0.623	67%	0.673	S	S	*	*	H	α-helix	trans	-50.9	-21.7	177.5	-152.6	148.9	0	0	0	112.4	H199 F204 R205	H199-L201 PolarHBondContact O-N 3.35Å; L201-F204 PolarHBondContact O-N 2.98Å; L201-R205 VanDerWaalsContact CD2-NH1 3.3Å; L201-R205 PolarHBondContact O-N 3.39Å
202	S	64.7	Low	60.9	Low	87 Å²	87	122.7 Å²	122.7	61%	0.608	67%	0.671	S	S	*	*	H	α-helix	trans	-60.8	-40	169.4	-171.1	0	0	0	0	113.6	S200 F204 R205 S206	S200-S202 PolarHBondContact O-N 2.76Å; S200-S202 WeakPolarHBondContact OG-CB 3.42Å; S200-S202 PolarHBondContact OG-N 3.12Å; S202-F204 PolarHBondContact O-N 3.19Å; S202-R205 PolarHBondContact O-N 3.46Å; S202-S206 PolarHBondContact O-N 3.38Å
203	S	61.5	Low	60.7	Low	46 Å²	46	122.7 Å²	122.7	32%	0.322	67%	0.673	S	S	.	*	H	α-helix	trans	-72.2	-26.2	175.8	-176.1	0	0	0	0	113.1	S200 S206	S200-S203 WeakPolarHBondContact O-CB 3.42Å; S200-S203 PolarHBondContact O-N 2.91Å; S203-S206 PolarHBondContact O-OG 3.38Å
204	F	70.1	Confident	60.5	Low	133 Å²	133	121.5 Å²	121.5	58%	0.583	68%	0.678	S	S	*	*	H	α-helix	trans	-69.4	-39.1	174.6	-178.2	-105.5	0	0	0	110.5	L201 S202 S206 Q207 L208	L201-F204 PolarHBondContact O-N 2.98Å; S202-F204 PolarHBondContact O-N 3.19Å; F204-S206 PolarHBondContact O-N 3.42Å; F204-Q207 PolarHBondContact O-N 3.5Å; F204-L208 HydrophobicContact CD1-CD1 3.9Å; F204-L208 HydrophobicContact CE1-CD1 3.63Å; F204-L208 HydrophobicContact CE1-CD2 4.37Å; F204-L208 HydrophobicContact CE1-CG 4.23Å; F204-L208 HydrophobicContact CZ-CD1 4.28Å; F204-L208 HydrophobicContact CZ-CD2 4.21Å; F204-L208 HydrophobicContact CZ-CG 4.46Å; F204-L208 WeakPolarHBondContact O-CG 3.45Å; F204-L208 PolarHBondContact O-N 3.32Å
205	R	68.3	Low	60.6	Low	167 Å²	167	121 Å²	121	63%	0.63	68%	0.676	S	S	*	*	H	α-helix	trans	-64.6	-36.6	176	-81.9	-178.1	148.7	96.2	-8.8	113.2	L201 S202 Q207 L208	L201-R205 VanDerWaalsContact CD2-NH1 3.3Å; L201-R205 PolarHBondContact O-N 3.39Å; S202-R205 PolarHBondContact O-N 3.46Å; R205-Q207 VanDerWaalsContact C-N 3.27Å; R205-Q207 PolarHBondContact O-N 2.97Å; R205-L208 PolarHBondContact O-N 3.32Å
206	S	68.1	Low	61.2	Low	97 Å²	97	124 Å²	124	68%	0.678	69%	0.685	S	S	*	*	H	α-helix	trans	-69.6	-23.2	179.4	66	0	0	0	0	113.9	S202 S203 F204	S202-S206 PolarHBondContact O-N 3.38Å; S203-S206 PolarHBondContact O-OG 3.38Å; F204-S206 PolarHBondContact O-N 3.42Å
207	Q	74.9	Confident	61.7	Low	162 Å²	162	120 Å²	120	76%	0.757	68%	0.679	S	S	*	*	H	α-helix	trans	-91.6	-10.7	-179.4	-135.8	161.5	5.3	0	0	113.4	F204 R205	F204-Q207 PolarHBondContact O-N 3.5Å; R205-Q207 VanDerWaalsContact C-N 3.27Å; R205-Q207 PolarHBondContact O-N 2.97Å
208	L	73.3	Confident	62.1	Low	97 Å²	97	123.6 Å²	123.6	51%	0.508	68%	0.677	S	S	.	*	S	Bend	trans	-79.7	121.3	176.3	-72.9	170.4	0	0	0	110.1	F204 R205 S210	F204-L208 HydrophobicContact CD1-CD1 3.9Å; F204-L208 HydrophobicContact CE1-CD1 3.63Å; F204-L208 HydrophobicContact CE1-CD2 4.37Å; F204-L208 HydrophobicContact CE1-CG 4.23Å; F204-L208 HydrophobicContact CZ-CD1 4.28Å; F204-L208 HydrophobicContact CZ-CD2 4.21Å; F204-L208 HydrophobicContact CZ-CG 4.46Å; F204-L208 WeakPolarHBondContact O-CG 3.45Å; F204-L208 PolarHBondContact O-N 3.32Å; R205-L208 PolarHBondContact O-N 3.32Å; L208-S210 PolarHBondContact O-N 3.3Å
209	K	70.5	Confident	61.9	Low	203 Å²	203	129.5 Å²	129.5	88%	0.883	69%	0.691	S	S	*	*			trans	-62.7	104.3	172.5	-67.1	-178.3	178.3	-179.4	0	109	T211	K209-T211 PolarHBondContact O-N 2.96Å; K209-T211 VanDerWaalsContact O-N 3.12Å
210	S	71	Confident	62.1	Low	111 Å²	111	131 Å²	131	78%	0.776	70%	0.698	S	S	*	*			trans	-64.4	105.8	171.9	156.7	0	0	0	0	109.7	L208 G212	L208-S210 PolarHBondContact O-N 3.3Å; S210-G212 PolarHBondContact O-N 3.38Å
211	T	57.9	Low	61.5	Low	120 Å²	120	136 Å²	136	74%	0.736	71%	0.71	S	S	*	*			trans	-78.6	107	161.9	54.5	0	0	0	0	106.7	K209 H213	K209-T211 PolarHBondContact O-N 2.96Å; K209-T211 VanDerWaalsContact O-N 3.12Å; T211-H213 PolarHBondContact O-N 3.5Å
212	G	60.5	Low	60.7	Low	69 Å²	69	137.4 Å²	137.4	71%	0.711	72%	0.717	S	S	*	*			trans	-62.8	50.4	-171.2	0	0	0	0	0	116.6	S210	S210-G212 PolarHBondContact O-N 3.38Å
213	H	51.8	Low	59.7	Low	171 Å²	171	142.4 Å²	142.4	79%	0.792	73%	0.731	S	S	*	*			trans	-113.6	84.1	174.2	-74	-23.9	0	0	0	109.2	T211 K215	T211-H213 PolarHBondContact O-N 3.5Å; H213-K215 PolarHBondContact O-N 3.07Å
214	S	57.3	Low	58.8	Low	104 Å²	104	146.9 Å²	146.9	73%	0.727	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-73.1	35.2	178.5	70.7	0	0	0	0	113.5	Y216	S214-Y216 PolarHBondContact O-N 3.33Å
215	K	60.7	Low	57.8	Low	180 Å²	180	144.8 Å²	144.8	78%	0.783	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-73.3	-15.3	176.7	-94.8	-170.1	176.2	-176.9	0	113.4	H213	H213-K215 PolarHBondContact O-N 3.07Å
216	Y	62.6	Low	56.5	Low	212 Å²	212	144.6 Å²	144.6	83%	0.831	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-134.7	22.4	-175.7	-53.5	-73.9	0	0	0	112.8	S214 L218	S214-Y216 PolarHBondContact O-N 3.33Å; Y216-L218 PolarHBondContact O-N 3.27Å
217	A	59.2	Low	55.3	Low	78 Å²	78	145.7 Å²	145.7	65%	0.645	78%	0.778	S	S	*	*			trans	-69	101.2	171.7	0	0	0	0	0	108	E219	A217-E219 PolarHBondContact O-N 3.25Å
218	L	57.8	Low	53.7	Low	163 Å²	163	143.9 Å²	143.9	85%	0.853	78%	0.78	S	S	*	*			trans	-67	120.3	175.3	-133.4	92.7	0	0	0	107.6	Y216 E220	Y216-L218 PolarHBondContact O-N 3.27Å; L218-E220 PolarHBondContact O-N 3.4Å
219	E	47.5	Very low	52.2	Low	179 Å²	179	152.8 Å²	152.8	84%	0.836	82%	0.815	S	S	*	*			trans	-62.4	116.1	172.6	-73.5	-176.8	157.1	0	0	109	A217 K221	A217-E219 PolarHBondContact O-N 3.25Å; E219-K221 PolarHBondContact O-N 2.68Å
220	E	52.9	Low	51.3	Low	171 Å²	171	150.3 Å²	150.3	80%	0.799	81%	0.811	S	S	*	*			trans	-64.5	99.2	169.4	-79.3	178.5	161.3	0	0	107.7	L218 D222	L218-E220 PolarHBondContact O-N 3.4Å; E220-D222 PolarHBondContact O-N 2.95Å
221	K	42.2	Very low	50.2	Low	188 Å²	188	152.4 Å²	152.4	82%	0.817	81%	0.813	S	S	*	*			trans	-76.3	103.5	167.6	-109.4	177.5	175.8	170.7	0	107.7	E219 E223	E219-K221 PolarHBondContact O-N 2.68Å; K221-E223 PolarHBondContact O-N 2.95Å; K221-E223 VanDerWaalsContact O-N 3.07Å
222	D	42.1	Very low	49.8	Very low	147 Å²	147	154.2 Å²	154.2	79%	0.786	82%	0.817	S	S	*	*			trans	-58.9	105.3	168.5	-69.6	-48.3	0	0	0	109.4	E220 V224	E220-D222 PolarHBondContact O-N 2.95Å; D222-V224 PolarHBondContact O-N 3.37Å; D222-V224 VanDerWaalsContact O-N 3.08Å
223	E	42.9	Very low	49.2	Very low	193 Å²	193	159.2 Å²	159.2	90%	0.902	82%	0.824	S	S	*	*			trans	-70.4	103.9	173.2	-68.1	-152.2	166.3	0	0	109.6	K221 A225	K221-E223 PolarHBondContact O-N 2.95Å; K221-E223 VanDerWaalsContact O-N 3.07Å; E223-A225 PolarHBondContact O-N 3.37Å
224	V	44.3	Very low	49	Very low	140 Å²	140	158.4 Å²	158.4	85%	0.848	83%	0.826	S	S	*	*			trans	-58.1	124.3	172.9	-85.4	0	0	0	0	111.5	D222 N226	D222-V224 PolarHBondContact O-N 3.37Å; D222-V224 VanDerWaalsContact O-N 3.08Å; V224-N226 PolarHBondContact O-N 3.28Å
225	A	47.7	Very low	48.5	Very low	89 Å²	89	162.1 Å²	162.1	74%	0.736	83%	0.832	S	S	*	*			trans	-54.2	116.4	177.6	0	0	0	0	0	112.3	E223 T227	E223-A225 PolarHBondContact O-N 3.37Å; A225-T227 PolarHBondContact O-N 3.08Å
226	N	40.6	Very low	47.6	Very low	162 Å²	162	160.8 Å²	160.8	87%	0.866	84%	0.836	S	S	*	*			trans	-82.8	93.2	170.5	-161.3	8.5	0	0	0	108.7	V224	V224-N226 PolarHBondContact O-N 3.28Å
227	T	44.3	Very low	46.4	Very low	120 Å²	120	156.8 Å²	156.8	74%	0.736	84%	0.836	S	S	*	*			trans	-77.4	128.2	172.8	42.2	0	0	0	0	110.5	A225	A225-T227 PolarHBondContact O-N 3.08Å
228	P	41.3	Very low	45.4	Very low	124 Å²	124	163.4 Å²	163.4	81%	0.805	85%	0.852	S	S	*	*			trans	-84.6	127.3	-175.3	31.9	-31.5	0	0	0	112.5
229	K	41	Very low	44.3	Very low	285 Å²	285	163.5 Å²	163.5	100%	1.239	85%	0.852	S	S	*	*			trans	60.6	0	164	-100.9	-176.4	178.5	-179	0	119.4

Retrieved 229 of 229 residues in 222.8 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).