Q99N97_RAT Loading...

H-caldesmon

AlphaFold DB , UniProt , Accession Q99N97, Species RAT (Rattus norvegicus, Rat), Gene n/a, Length 227 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	V	48.7	Very low	46.9	Very low	198 Å²	198	163.5 Å²	163.5	100%	1.2	84%	0.841	S	S	*	*				0	89.1	0	178.5	0	0	0	0	104.9
2	E	48.6	Very low	46.7	Very low	196 Å²	196	161.3 Å²	161.3	92%	0.916	84%	0.841	S	S	*	*			trans	-112.5	104.2	-179.4	-72.1	-179.3	138.2	0	0	106.6
3	E	50.6	Low	46.2	Very low	177 Å²	177	160.7 Å²	160.7	83%	0.827	83%	0.831	S	S	*	*			trans	25.8	106.5	145.9	-141.7	166.5	134.5	0	0	118.5	V5	E3-V5 PolarHBondContact O-N 3.1Å
4	M	46.6	Very low	46.2	Very low	181 Å²	181	162.9 Å²	162.9	89%	0.892	84%	0.836	S	S	*	*			trans	-65.4	110.9	163.1	-68.8	169.5	167.3	0	0	109.8
5	V	46.2	Very low	46.2	Very low	128 Å²	128	163.2 Å²	163.2	78%	0.776	83%	0.832	S	S	*	*			trans	-98.2	95.1	159.3	175.5	0	0	0	0	107.2	E3 E7	E3-V5 PolarHBondContact O-N 3.1Å; V5-E7 PolarHBondContact O-N 3.02Å
6	E	44.6	Very low	46.1	Very low	157 Å²	157	158.1 Å²	158.1	73%	0.734	82%	0.823	S	S	*	*			trans	-73.6	101.6	170.3	-163.4	176.5	121	0	0	107.8	K8	E6-K8 PolarHBondContact O-N 3.08Å; E6-K8 VanDerWaalsContact O-N 3.11Å
7	E	45.4	Very low	45.8	Very low	182 Å²	182	154.6 Å²	154.6	85%	0.85	81%	0.809	S	S	*	*			trans	-73.5	99.8	175	-165.2	179	140.7	0	0	108.8	V5 T9	V5-E7 PolarHBondContact O-N 3.02Å; E7-T9 PolarHBondContact O-N 2.96Å
8	K	51.3	Low	45.6	Very low	177 Å²	177	152.2 Å²	152.2	77%	0.77	80%	0.802	S	S	*	*			trans	-68	115.3	173.8	-73.2	179.5	174.6	-179.8	0	110.1	E6	E6-K8 PolarHBondContact O-N 3.08Å; E6-K8 VanDerWaalsContact O-N 3.11Å
9	T	45	Very low	45.6	Very low	129 Å²	129	152.4 Å²	152.4	79%	0.791	80%	0.8	S	S	*	*			trans	-68.3	127.8	159.6	46.4	0	0	0	0	109.3	E7 E11	E7-T9 PolarHBondContact O-N 2.96Å; T9-E11 PolarHBondContact O-N 3.02Å
10	P	47.2	Very low	45.7	Very low	118 Å²	118	150.2 Å²	150.2	77%	0.766	79%	0.793	S	S	*	*			trans	-75.4	108	162.7	28.2	-28.8	0	0	0	108.8	T12	P10-T12 PolarHBondContact O-N 3.07Å; P10-T12 VanDerWaalsContact O-N 3.1Å
11	E	41.2	Very low	46.1	Very low	155 Å²	155	151.3 Å²	151.3	72%	0.724	80%	0.798	S	S	*	*			trans	-29.3	102.6	155.3	-174.3	177.3	95.7	0	0	112.1	T9 Q13	T9-E11 PolarHBondContact O-N 3.02Å; E11-Q13 VanDerWaalsContact C-N 3.31Å; E11-Q13 HydrophobicContact CG-CG 4.42Å; E11-Q13 PolarHBondContact O-N 3.48Å
12	T	45.6	Very low	46.5	Very low	137 Å²	137	148.5 Å²	148.5	84%	0.84	77%	0.772	S	S	*	*			trans	-70.9	93.2	167.1	-24.9	0	0	0	0	106.9	P10 E14	P10-T12 PolarHBondContact O-N 3.07Å; P10-T12 VanDerWaalsContact O-N 3.1Å; T12-E14 PolarHBondContact O-N 3.39Å
13	Q	40.2	Very low	46.4	Very low	154 Å²	154	146 Å²	146	72%	0.72	77%	0.765	S	S	*	*			trans	-58.6	111.9	167.6	-71.2	-179.1	23	0	0	107.5	E11 E15	E11-Q13 VanDerWaalsContact C-N 3.31Å; E11-Q13 HydrophobicContact CG-CG 4.42Å; E11-Q13 PolarHBondContact O-N 3.48Å; Q13-E15 VanDerWaalsContact C-N 3.34Å; Q13-E15 PolarHBondContact O-N 2.73Å
14	E	45.8	Very low	46.2	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	76%	0.757	S	S	*	*			trans	-58.9	102.5	164.7	-70.4	-173.3	118.1	0	0	107.3	T12 A16	T12-E14 PolarHBondContact O-N 3.39Å; E14-A16 PolarHBondContact O-N 3.02Å
15	E	45.3	Very low	46.2	Very low	168 Å²	168	141.6 Å²	141.6	79%	0.785	76%	0.759	S	S	*	*			trans	-63.4	84.4	168.5	-166.1	-175.1	141.6	0	0	107.3	Q13 V17	Q13-E15 VanDerWaalsContact C-N 3.34Å; Q13-E15 PolarHBondContact O-N 2.73Å; E15-V17 HydrophobicContact CG-CG2 3.99Å; E15-V17 PolarHBondContact O-N 3.47Å; E15-V17 WeakPolarHBondContact OE1-CG2 3.29Å
16	A	45.4	Very low	46	Very low	82 Å²	82	142.1 Å²	142.1	68%	0.678	76%	0.763	S	S	*	*			trans	-63.1	88.2	161.6	0	0	0	0	0	106.6	E14 V18	E14-A16 PolarHBondContact O-N 3.02Å; A16-V18 PolarHBondContact O-N 3.38Å
17	V	41.6	Very low	45.7	Very low	98 Å²	98	139.6 Å²	139.6	59%	0.594	76%	0.762	S	S	*	*			trans	-64.7	83	162.5	-179	0	0	0	0	106.3	E15 M19	E15-V17 HydrophobicContact CG-CG2 3.99Å; E15-V17 PolarHBondContact O-N 3.47Å; E15-V17 WeakPolarHBondContact OE1-CG2 3.29Å; V17-M19 HydrophobicContact CG1-CG 4.01Å; V17-M19 PolarHBondContact O-N 3.02Å
18	V	41.6	Very low	45.8	Very low	112 Å²	112	136.3 Å²	136.3	68%	0.679	77%	0.766	S	S	*	*			trans	-61.5	93.4	160.2	173.6	0	0	0	0	105.3	A16 V20	A16-V18 PolarHBondContact O-N 3.38Å; V18-V20 HydrophobicContact CG1-CG2 3.93Å; V18-V20 PolarHBondContact O-N 3.13Å
19	M	44.8	Very low	45.2	Very low	155 Å²	155	135.5 Å²	135.5	76%	0.764	77%	0.765	S	S	*	*			trans	-67.9	94.8	162.4	-70	-161.1	-62.8	0	0	107.2	V17 L21	V17-M19 HydrophobicContact CG1-CG 4.01Å; V17-M19 PolarHBondContact O-N 3.02Å; M19-L21 PolarHBondContact O-N 3.38Å
20	V	48.3	Very low	45	Very low	109 Å²	109	138 Å²	138	66%	0.661	77%	0.768	S	S	*	*			trans	-59.5	99.4	166.1	177.6	0	0	0	0	107.4	V18 E22	V18-V20 HydrophobicContact CG1-CG2 3.93Å; V18-V20 PolarHBondContact O-N 3.13Å; V20-E22 VanDerWaalsContact C-N 3.28Å; V20-E22 HydrophobicContact CG1-CB 3.89Å; V20-E22 PolarHBondContact O-N 2.87Å; V20-E22 VanDerWaalsContact O-N 3.16Å
21	L	54	Low	44.7	Very low	173 Å²	173	137.9 Å²	137.9	91%	0.906	77%	0.769	S	S	*	*			trans	-81.8	81.8	166.2	-71.8	167.8	0	0	0	107.6	M19	M19-L21 PolarHBondContact O-N 3.38Å
22	E	56.5	Low	44.7	Very low	140 Å²	140	138.3 Å²	138.3	65%	0.654	77%	0.769	S	S	*	*			trans	-117.1	120.2	169	-154.2	-166.3	115.7	0	0	110.4	V20	V20-E22 VanDerWaalsContact C-N 3.28Å; V20-E22 HydrophobicContact CG1-CB 3.89Å; V20-E22 PolarHBondContact O-N 2.87Å; V20-E22 VanDerWaalsContact O-N 3.16Å
23	N	47.3	Very low	44.7	Very low	143 Å²	143	136.6 Å²	136.6	77%	0.765	77%	0.769	S	S	*	*			trans	106.2	117.5	155.8	-62	-52.6	0	0	0	117.5
24	G	45.8	Very low	44.8	Very low	63 Å²	63	136.6 Å²	136.6	65%	0.649	77%	0.769	S	S	*	*			trans	149.7	86.1	157.5	0	0	0	0	0	111.2	V26	G24-V26 PolarHBondContact O-N 2.81Å
25	Q	46.7	Very low	44.8	Very low	203 Å²	203	131.3 Å²	131.3	95%	0.949	77%	0.766	S	S	*	*			trans	-42.2	110.7	160.2	-67.8	164.2	-68.6	0	0	109.4
26	V	42.1	Very low	44.8	Very low	139 Å²	139	130.8 Å²	130.8	84%	0.842	77%	0.768	S	S	*	*			trans	-101.2	112.7	160.3	-77.3	0	0	0	0	106.5	G24 A28	G24-V26 PolarHBondContact O-N 2.81Å; V26-A28 PolarHBondContact O-N 3.42Å
27	S	38.3	Very low	44.8	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	76%	0.762	S	S	*	*			trans	-38.2	136	174.1	-69.3	0	0	0	0	111.6	E29	S27-E29 PolarHBondContact O-N 2.83Å
28	A	46.8	Very low	45.3	Very low	113 Å²	113	134 Å²	134	93%	0.934	78%	0.777	S	S	*	*			trans	-63.1	74.1	150.5	0	0	0	0	0	108.1	V26	V26-A28 PolarHBondContact O-N 3.42Å
29	E	39.8	Very low	45.9	Very low	160 Å²	160	135.4 Å²	135.4	75%	0.748	78%	0.776	S	S	*	*			trans	-95.3	108.3	159.2	-165.2	165.9	102.7	0	0	105	S27 S31	S27-E29 PolarHBondContact O-N 2.83Å; E29-S31 PolarHBondContact O-N 3.19Å
30	E	40.6	Very low	46.8	Very low	183 Å²	183	133 Å²	133	86%	0.855	77%	0.766	S	S	*	*			trans	-50.8	94.3	168.1	-71.1	-178.1	90.2	0	0	108.3	K32	E30-K32 PolarHBondContact O-N 3.49Å
31	S	41.7	Very low	47.9	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	77%	0.765	S	S	*	*			trans	-66.8	84.2	152.2	-65.7	0	0	0	0	104.9	E29 A33	E29-S31 PolarHBondContact O-N 3.19Å; S31-A33 VanDerWaalsContact C-N 3.34Å; S31-A33 PolarHBondContact O-N 3.37Å
32	K	40.9	Very low	48.8	Very low	164 Å²	164	130.4 Å²	130.4	71%	0.713	76%	0.755	S	S	*	*			trans	-33	110.2	151.4	-95.9	175	167.3	-178.6	0	105.5	E30 E34	E30-K32 PolarHBondContact O-N 3.49Å; K32-E34 HydrophobicContact CB-CG 4.14Å; K32-E34 HydrophobicContact CD-CG 4.48Å; K32-E34 PolarHBondContact O-N 2.93Å
33	A	45.6	Very low	49.7	Very low	101 Å²	101	125.8 Å²	125.8	84%	0.835	75%	0.746	S	S	*	*			trans	-60.2	85.4	147.6	0	0	0	0	0	104.2	S31 G35	S31-A33 VanDerWaalsContact C-N 3.34Å; S31-A33 PolarHBondContact O-N 3.37Å; A33-G35 PolarHBondContact O-N 2.94Å
34	E	41.9	Very low	51.2	Low	155 Å²	155	123 Å²	123	72%	0.724	73%	0.73	S	S	*	*			trans	-60.1	85.5	153.5	-72.6	-163.7	130.7	0	0	104.2	K32 D36	K32-E34 HydrophobicContact CB-CG 4.14Å; K32-E34 HydrophobicContact CD-CG 4.48Å; K32-E34 PolarHBondContact O-N 2.93Å; E34-D36 PolarHBondContact O-N 3.43Å
35	G	45.3	Very low	53	Low	80 Å²	80	122.1 Å²	122.1	83%	0.825	72%	0.716	S	S	*	*			trans	-66.5	74.3	154.6	0	0	0	0	0	106.5	A33	A33-G35 PolarHBondContact O-N 2.94Å
36	D	46.5	Very low	54.8	Low	157 Å²	157	118 Å²	118	84%	0.84	70%	0.697	S	S	*	*			trans	-132.9	126.3	162.8	-139.3	-65.6	0	0	0	107	E34	E34-D36 PolarHBondContact O-N 3.43Å
37	G	45	Very low	56.8	Low	53 Å²	53	120.1 Å²	120.1	55%	0.546	69%	0.69	S	S	.	*	S	Bend	trans	120.8	79.9	-155.2	0	0	0	0	0	108	Q39	G37-Q39 VanDerWaalsContact C-N 3.27Å; G37-Q39 PolarHBondContact O-N 2.83Å
38	E	51.3	Low	59.1	Low	194 Å²	194	122.6 Å²	122.6	91%	0.907	69%	0.688	S	S	*	*			trans	-25.4	103.8	137.3	-104.7	155.8	75.4	0	0	107.3	D40	E38-D40 PolarHBondContact O-N 2.62Å
39	Q	53.9	Low	61.1	Low	141 Å²	141	124.3 Å²	124.3	66%	0.659	67%	0.674	S	S	*	*			trans	-64.9	95.4	168.9	-79.3	-172.5	-9.3	0	0	103.4	G37 A41 I44	G37-Q39 VanDerWaalsContact C-N 3.27Å; G37-Q39 PolarHBondContact O-N 2.83Å; Q39-A41 PolarHBondContact O-N 3.47Å; Q39-A41 VanDerWaalsContact O-N 3.16Å; Q39-I44 HydrophobicContact CB-CD1 3.68Å; Q39-I44 HydrophobicContact CB-CG1 3.77Å
40	D	64.4	Low	63.3	Low	105 Å²	105	121.1 Å²	121.1	56%	0.561	66%	0.66	S	S	*	*			trans	-46.3	127.6	-179	-157.3	-20.6	0	0	0	106.3	E38 E42 G43 I44	E38-D40 PolarHBondContact O-N 2.62Å; D40-E42 CarbonylContact O-C 3.57Å; D40-E42 PolarHBondContact O-N 3.28Å; D40-G43 WeakPolarHBondContact O-CA 3.47Å; D40-G43 PolarHBondContact O-N 2.97Å; D40-I44 PolarHBondContact O-N 3.26Å
41	A	71.9	Confident	65.6	Low	77 Å²	77	116.8 Å²	116.8	64%	0.636	64%	0.64	S	S	*	*	H	α-helix	trans	-53.8	-25.7	-173.7	0	0	0	0	0	110.6	Q39 A45	Q39-A41 PolarHBondContact O-N 3.47Å; Q39-A41 VanDerWaalsContact O-N 3.16Å; A41-A45 WeakPolarHBondContact O-CB 3.25Å; A41-A45 PolarHBondContact O-N 2.97Å
42	E	71.5	Confident	67.7	Low	150 Å²	150	114 Å²	114	70%	0.701	62%	0.624	S	S	*	*	H	α-helix	trans	-64.2	-41.1	171.5	-59.7	-166	164.5	0	0	114.2	D40 A45 H46	D40-E42 CarbonylContact O-C 3.57Å; D40-E42 PolarHBondContact O-N 3.28Å; E42-A45 PolarHBondContact O-N 3.31Å; E42-H46 WeakPolarHBondContact O-CB 3.26Å; E42-H46 PolarHBondContact O-N 3.26Å
43	G	75.8	Confident	69.9	Low	44 Å²	44	110.1 Å²	110.1	45%	0.454	61%	0.608	S	S	.	*	H	α-helix	trans	-69.8	-38.7	177.5	0	0	0	0	0	113.3	D40 H46 R47	D40-G43 WeakPolarHBondContact O-CA 3.47Å; D40-G43 PolarHBondContact O-N 2.97Å; G43-H46 PolarHBondContact O-N 2.82Å; G43-R47 PolarHBondContact O-N 2.89Å
44	I	79.9	Confident	71.9	Confident	84 Å²	84	112.1 Å²	112.1	43%	0.431	60%	0.6	S	S	.	*	H	α-helix	trans	-67.3	-43	173.1	-52.7	-178.5	0	0	0	110.1	Q39 D40 H46 R47 K48	Q39-I44 HydrophobicContact CB-CD1 3.68Å; Q39-I44 HydrophobicContact CB-CG1 3.77Å; D40-I44 PolarHBondContact O-N 3.26Å; I44-H46 VanDerWaalsContact C-N 3.35Å; I44-H46 PolarHBondContact O-N 3.38Å; I44-R47 PolarHBondContact O-N 2.99Å; I44-K48 WeakPolarHBondContact O-CB 3.39Å; I44-K48 PolarHBondContact O-N 3.27Å
45	A	83.1	Confident	74.2	Confident	44 Å²	44	112.1 Å²	112.1	36%	0.364	59%	0.594	S	S	.	*	H	α-helix	trans	-63.2	-39.7	176.7	0	0	0	0	0	112.1	A41 E42 K49	A41-A45 WeakPolarHBondContact O-CB 3.25Å; A41-A45 PolarHBondContact O-N 2.97Å; E42-A45 PolarHBondContact O-N 3.31Å; A45-K49 VanDerWaalsContact O-CG 3.28Å; A45-K49 WeakPolarHBondContact O-CG 3.39Å; A45-K49 PolarHBondContact O-N 3.46Å
46	H	83.7	Confident	76.3	Confident	118 Å²	118	115 Å²	115	55%	0.546	59%	0.585	S	S	.	*	H	α-helix	trans	-66.2	-44.4	176.5	-174.9	49.1	0	0	0	112	E42 G43 I44 K48 K49 M50	E42-H46 WeakPolarHBondContact O-CB 3.26Å; E42-H46 PolarHBondContact O-N 3.26Å; G43-H46 PolarHBondContact O-N 2.82Å; I44-H46 VanDerWaalsContact C-N 3.35Å; I44-H46 PolarHBondContact O-N 3.38Å; H46-K48 PolarHBondContact O-N 3.13Å; H46-K49 WeakPolarHBondContact O-CB 3.36Å; H46-K49 PolarHBondContact O-N 2.96Å; H46-M50 WeakPolarHBondContact O-CG 3.44Å; H46-M50 PolarHBondContact O-N 3.17Å
47	R	85.9	Confident	78.5	Confident	183 Å²	183	115.3 Å²	115.3	69%	0.691	58%	0.575	S	S	*	*	H	α-helix	trans	-61.5	-43.2	175.7	-172.1	-176.9	-65.8	-155.3	-0.5	112.2	G43 I44 K49 M50 E51	G43-R47 PolarHBondContact O-N 2.89Å; I44-R47 PolarHBondContact O-N 2.99Å; R47-K49 VanDerWaalsContact C-N 3.3Å; R47-K49 PolarHBondContact O-N 3.49Å; R47-M50 PolarHBondContact O-N 3.47Å; R47-E51 WeakPolarHBondContact O-CB 3.29Å; R47-E51 PolarHBondContact O-N 2.89Å
48	K	85.8	Confident	80.8	Confident	155 Å²	155	115 Å²	115	67%	0.674	57%	0.567	S	S	*	*	H	α-helix	trans	-64.8	-33.5	177	-168.9	175.1	-178.6	178.3	0	112.5	I44 H46 A52	I44-K48 WeakPolarHBondContact O-CB 3.39Å; I44-K48 PolarHBondContact O-N 3.27Å; H46-K48 PolarHBondContact O-N 3.13Å; K48-A52 WeakPolarHBondContact O-CB 3.38Å; K48-A52 PolarHBondContact O-N 3.45Å
49	K	88	Confident	82.8	Confident	149 Å²	149	112.4 Å²	112.4	65%	0.648	56%	0.555	S	S	*	*	H	α-helix	trans	-67.2	-45	172	-74.6	171.5	-178.1	179.7	0	111.6	A45 H46 R47 E51 A52 E53	A45-K49 VanDerWaalsContact O-CG 3.28Å; A45-K49 WeakPolarHBondContact O-CG 3.39Å; A45-K49 PolarHBondContact O-N 3.46Å; H46-K49 WeakPolarHBondContact O-CB 3.36Å; H46-K49 PolarHBondContact O-N 2.96Å; R47-K49 VanDerWaalsContact C-N 3.3Å; R47-K49 PolarHBondContact O-N 3.49Å; K49-E51 PolarHBondContact O-N 2.84Å; K49-A52 PolarHBondContact O-N 2.77Å; K49-E53 WeakPolarHBondContact O-CB 3.18Å; K49-E53 PolarHBondContact O-N 3.36Å
50	M	87	Confident	84.7	Confident	93 Å²	93	108.6 Å²	108.6	46%	0.458	55%	0.548	S	S	.	.	H	α-helix	trans	-61.3	-43.2	175.5	-69.7	-62.8	-61.8	0	0	111.7	H46 R47 A52 E53 E54	H46-M50 WeakPolarHBondContact O-CG 3.44Å; H46-M50 PolarHBondContact O-N 3.17Å; R47-M50 PolarHBondContact O-N 3.47Å; M50-A52 PolarHBondContact O-N 3.37Å; M50-E53 PolarHBondContact O-N 2.91Å; M50-E54 WeakPolarHBondContact O-CB 3.33Å; M50-E54 PolarHBondContact O-N 3.02Å
51	E	87.8	Confident	86.1	Confident	91 Å²	91	109.6 Å²	109.6	43%	0.425	55%	0.549	S	S	.	.	H	α-helix	trans	-65.2	-38.6	177	-170.5	-172.8	161.9	0	0	112.3	R47 K49 E54 R55	R47-E51 WeakPolarHBondContact O-CB 3.29Å; R47-E51 PolarHBondContact O-N 2.89Å; K49-E51 PolarHBondContact O-N 2.84Å; E51-E54 PolarHBondContact O-N 3.39Å; E51-R55 WeakPolarHBondContact O-CB 3.36Å; E51-R55 VanDerWaalsContact O-CG 3.24Å; E51-R55 WeakPolarHBondContact O-CG 3.39Å; E51-R55 PolarHBondContact O-N 3.38Å; E51-R55 IonicContact OE1-CZ 2.94Å; E51-R55 IonicContact OE1-NE 3.14Å; E51-R55 PolarHBondContact OE1-NE 2.88Å; E51-R55 IonicContact OE1-NH2 2.68Å; E51-R55 PolarHBondContact OE1-NH2 3.32Å
52	A	86.8	Confident	87.2	Confident	56 Å²	56	115.1 Å²	115.1	46%	0.463	55%	0.554	S	S	.	*	H	α-helix	trans	-65.6	-41.8	174.3	0	0	0	0	0	111.9	K48 K49 M50 R55 E56	K48-A52 WeakPolarHBondContact O-CB 3.38Å; K48-A52 PolarHBondContact O-N 3.45Å; K49-A52 PolarHBondContact O-N 2.77Å; M50-A52 PolarHBondContact O-N 3.37Å; A52-R55 PolarHBondContact O-N 3.17Å; A52-E56 PolarHBondContact O-N 3.01Å
53	E	87	Confident	88.3	Confident	83 Å²	83	113.6 Å²	113.6	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-66.8	-37.1	176	-168.4	-176.5	120.7	0	0	111.9	K49 M50 E56 R57	K49-E53 WeakPolarHBondContact O-CB 3.18Å; K49-E53 PolarHBondContact O-N 3.36Å; M50-E53 PolarHBondContact O-N 2.91Å; E53-E56 PolarHBondContact O-N 3.44Å; E53-R57 WeakPolarHBondContact O-CB 3.4Å; E53-R57 VanDerWaalsContact O-CG 3.27Å; E53-R57 WeakPolarHBondContact O-CG 3.48Å; E53-R57 PolarHBondContact O-N 3.08Å; E53-R57 IonicContact OE1-CZ 2.93Å; E53-R57 VanDerWaalsContact OE1-CZ 3.31Å; E53-R57 IonicContact OE1-NE 3.51Å; E53-R57 PolarHBondContact OE1-NE 2.95Å; E53-R57 VanDerWaalsContact OE1-NE 3.15Å; E53-R57 IonicContact OE1-NH2 3.19Å; E53-R57 PolarHBondContact OE1-NH2 3.4Å
54	E	87.1	Confident	89.2	Confident	142 Å²	142	120.5 Å²	120.5	66%	0.664	56%	0.562	S	S	*	*	H	α-helix	trans	-67.8	-38.8	176.7	-157.3	-176.9	134.7	0	0	111.5	M50 E51 R57 A58	M50-E54 WeakPolarHBondContact O-CB 3.33Å; M50-E54 PolarHBondContact O-N 3.02Å; E51-E54 PolarHBondContact O-N 3.39Å; E54-R57 PolarHBondContact O-N 3.46Å; E54-A58 WeakPolarHBondContact O-CB 3.41Å; E54-A58 PolarHBondContact O-N 2.95Å
55	R	90.7	Very high	89.9	Confident	155 Å²	155	121.2 Å²	121.2	59%	0.585	57%	0.566	S	S	*	*	H	α-helix	trans	-63.8	-43.4	171.4	-71.8	169.9	-175.8	-135	5.2	111.8	E51 A52 R57 A58 E59	E51-R55 WeakPolarHBondContact O-CB 3.36Å; E51-R55 VanDerWaalsContact O-CG 3.24Å; E51-R55 WeakPolarHBondContact O-CG 3.39Å; E51-R55 PolarHBondContact O-N 3.38Å; E51-R55 IonicContact OE1-CZ 2.94Å; E51-R55 IonicContact OE1-NE 3.14Å; E51-R55 PolarHBondContact OE1-NE 2.88Å; E51-R55 IonicContact OE1-NH2 2.68Å; E51-R55 PolarHBondContact OE1-NH2 3.32Å; A52-R55 PolarHBondContact O-N 3.17Å; R55-R57 PolarHBondContact O-N 3.44Å; R55-A58 PolarHBondContact O-N 3.44Å; R55-E59 WeakPolarHBondContact O-CG 3.3Å; R55-E59 PolarHBondContact O-N 3.06Å
56	E	89.4	Confident	90.5	Very high	140 Å²	140	124.4 Å²	124.4	65%	0.654	57%	0.574	S	S	*	*	H	α-helix	trans	-62	-42.7	176.4	-173	-179.4	164.4	0	0	111.5	A52 E53 E59 A60	A52-E56 PolarHBondContact O-N 3.01Å; E53-E56 PolarHBondContact O-N 3.44Å; E56-E59 PolarHBondContact O-N 2.97Å; E56-A60 WeakPolarHBondContact O-CB 3.44Å; E56-A60 PolarHBondContact O-N 2.88Å
57	R	92.7	Very high	91.1	Very high	164 Å²	164	121.4 Å²	121.4	62%	0.619	57%	0.569	S	S	*	*	H	α-helix	trans	-62.9	-43.5	174.5	-72.6	170.9	-176	-124.2	6.6	112	E53 E54 R55 A60 E61	E53-R57 WeakPolarHBondContact O-CB 3.4Å; E53-R57 VanDerWaalsContact O-CG 3.27Å; E53-R57 WeakPolarHBondContact O-CG 3.48Å; E53-R57 PolarHBondContact O-N 3.08Å; E53-R57 IonicContact OE1-CZ 2.93Å; E53-R57 VanDerWaalsContact OE1-CZ 3.31Å; E53-R57 IonicContact OE1-NE 3.51Å; E53-R57 PolarHBondContact OE1-NE 2.95Å; E53-R57 VanDerWaalsContact OE1-NE 3.15Å; E53-R57 IonicContact OE1-NH2 3.19Å; E53-R57 PolarHBondContact OE1-NH2 3.4Å; E54-R57 PolarHBondContact O-N 3.46Å; R55-R57 PolarHBondContact O-N 3.44Å; R57-A60 PolarHBondContact O-N 3.26Å; R57-E61 PolarHBondContact O-N 3.31Å
58	A	93.1	Very high	91.5	Very high	47 Å²	47	116.4 Å²	116.4	39%	0.388	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-40.2	177.4	0	0	0	0	0	112	E54 R55 E61 R62	E54-A58 WeakPolarHBondContact O-CB 3.41Å; E54-A58 PolarHBondContact O-N 2.95Å; R55-A58 PolarHBondContact O-N 3.44Å; A58-E61 PolarHBondContact O-N 3.44Å; A58-R62 VanDerWaalsContact O-CG 3.27Å; A58-R62 WeakPolarHBondContact O-CG 3.36Å; A58-R62 PolarHBondContact O-N 3Å
59	E	94.3	Very high	91.9	Very high	140 Å²	140	115.7 Å²	115.7	65%	0.654	55%	0.553	S	S	*	*	H	α-helix	trans	-65.2	-41.1	174.8	-74.1	-178.9	-178.8	0	0	111.9	R55 E56 E61 R62 L63	R55-E59 WeakPolarHBondContact O-CG 3.3Å; R55-E59 PolarHBondContact O-N 3.06Å; E56-E59 PolarHBondContact O-N 2.97Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.25Å; E59-R62 PolarHBondContact O-N 3.49Å; E59-L63 PolarHBondContact O-N 2.87Å
60	A	93.4	Very high	92.3	Very high	61 Å²	61	112.7 Å²	112.7	50%	0.504	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-38.7	175.6	0	0	0	0	0	112.4	E56 R57 R64	E56-A60 WeakPolarHBondContact O-CB 3.44Å; E56-A60 PolarHBondContact O-N 2.88Å; R57-A60 PolarHBondContact O-N 3.26Å; A60-R64 PolarHBondContact O-N 2.93Å; A60-R64 VanDerWaalsContact O-N 3.08Å
61	E	93.3	Very high	92.6	Very high	126 Å²	126	114.6 Å²	114.6	59%	0.589	55%	0.549	S	S	*	.	H	α-helix	trans	-67.6	-41.4	175.3	-171.2	177.7	171.8	0	0	111.9	R57 A58 E59 L63 R64 L65	R57-E61 PolarHBondContact O-N 3.31Å; A58-E61 PolarHBondContact O-N 3.44Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.25Å; E61-L63 PolarHBondContact O-N 3.05Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-L65 HydrophobicContact CG-CD1 4.31Å; E61-L65 WeakPolarHBondContact O-CG 3.44Å; E61-L65 PolarHBondContact O-N 3.33Å
62	R	94.5	Very high	93.1	Very high	193 Å²	193	118.2 Å²	118.2	73%	0.728	56%	0.559	S	S	*	*	H	α-helix	trans	-62.2	-42.5	175.1	-71.4	-176.4	84.3	-177.8	6.4	112.1	A58 E59 R64 L65 E66	A58-R62 VanDerWaalsContact O-CG 3.27Å; A58-R62 WeakPolarHBondContact O-CG 3.36Å; A58-R62 PolarHBondContact O-N 3Å; E59-R62 PolarHBondContact O-N 3.49Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R62-R64 PolarHBondContact O-N 2.63Å; R62-L65 PolarHBondContact O-N 3.16Å; R62-E66 WeakPolarHBondContact O-CB 3.49Å; R62-E66 PolarHBondContact O-N 2.98Å
63	L	94.3	Very high	93.5	Very high	118 Å²	118	121.9 Å²	121.9	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-63.7	-37.3	176.5	-172.7	67.7	0	0	0	111.8	E59 E61 A67	E59-L63 PolarHBondContact O-N 2.87Å; E61-L63 PolarHBondContact O-N 3.05Å; L63-A67 WeakPolarHBondContact O-CB 3.41Å; L63-A67 PolarHBondContact O-N 2.9Å
64	R	96.3	Very high	94	Very high	189 Å²	189	126.3 Å²	126.3	71%	0.713	58%	0.579	S	S	*	*	H	α-helix	trans	-66.3	-44.4	175.6	-175.3	-177.3	174.1	175.6	-1	111.9	A60 E61 R62 A67 E68	A60-R64 PolarHBondContact O-N 2.93Å; A60-R64 VanDerWaalsContact O-N 3.08Å; E61-R64 PolarHBondContact O-N 3.2Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R62-R64 PolarHBondContact O-N 2.63Å; R64-A67 PolarHBondContact O-N 3.3Å; R64-E68 PolarHBondContact O-N 3.5Å
65	L	94.7	Very high	94.5	Very high	98 Å²	98	122.8 Å²	122.8	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-65.3	-40.8	177.3	-73.1	169.9	0	0	0	111.7	E61 R62 E68 E69	E61-L65 HydrophobicContact CG-CD1 4.31Å; E61-L65 WeakPolarHBondContact O-CG 3.44Å; E61-L65 PolarHBondContact O-N 3.33Å; R62-L65 PolarHBondContact O-N 3.16Å; L65-E68 PolarHBondContact O-N 2.93Å; L65-E69 WeakPolarHBondContact O-CB 3.29Å; L65-E69 PolarHBondContact O-N 3.42Å
66	E	94.8	Very high	94.8	Very high	112 Å²	112	121.9 Å²	121.9	52%	0.523	57%	0.568	S	S	.	*	H	α-helix	trans	-62.7	-41.7	175.2	-175.5	177.1	-176.5	0	0	111.7	R62 E69 Q70	R62-E66 WeakPolarHBondContact O-CB 3.49Å; R62-E66 PolarHBondContact O-N 2.98Å; E66-E69 PolarHBondContact O-N 2.94Å; E66-Q70 WeakPolarHBondContact O-CG 3.38Å; E66-Q70 PolarHBondContact O-N 3.3Å
67	A	95.5	Very high	95.1	Very high	55 Å²	55	118 Å²	118	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-63.6	-40.9	175	0	0	0	0	0	112.4	L63 R64 Q70 E71	L63-A67 WeakPolarHBondContact O-CB 3.41Å; L63-A67 PolarHBondContact O-N 2.9Å; R64-A67 PolarHBondContact O-N 3.3Å; A67-Q70 PolarHBondContact O-N 3.31Å; A67-E71 PolarHBondContact O-N 2.98Å
68	E	94.6	Very high	95.3	Very high	77 Å²	77	115.4 Å²	115.4	36%	0.36	55%	0.554	S	S	.	*	H	α-helix	trans	-66.2	-39.3	175.8	-170.1	179.8	121.4	0	0	111.9	R64 L65 E71 R72	R64-E68 PolarHBondContact O-N 3.5Å; L65-E68 PolarHBondContact O-N 2.93Å; E68-E71 PolarHBondContact O-N 3.24Å; E68-R72 WeakPolarHBondContact O-CG 3.4Å; E68-R72 PolarHBondContact O-N 3.35Å; E68-R72 IonicContact OE1-CZ 2.67Å; E68-R72 IonicContact OE1-NE 2.64Å; E68-R72 PolarHBondContact OE1-NE 3.48Å; E68-R72 IonicContact OE1-NH2 3.13Å; E68-R72 PolarHBondContact OE1-NH2 3.46Å
69	E	94.7	Very high	95.6	Very high	140 Å²	140	118.7 Å²	118.7	65%	0.654	56%	0.562	S	S	*	*	H	α-helix	trans	-63.9	-43.7	175.5	-167.4	176.3	119.8	0	0	111.5	L65 E66 E71 R72 E73	L65-E69 WeakPolarHBondContact O-CB 3.29Å; L65-E69 PolarHBondContact O-N 3.42Å; E66-E69 PolarHBondContact O-N 2.94Å; E69-E71 VanDerWaalsContact C-N 3.31Å; E69-E71 PolarHBondContact O-N 2.92Å; E69-R72 PolarHBondContact O-N 3.48Å; E69-E73 PolarHBondContact O-N 2.62Å
70	Q	95.7	Very high	95.7	Very high	86 Å²	86	116.1 Å²	116.1	40%	0.402	55%	0.553	S	S	.	*	H	α-helix	trans	-61.9	-37.7	174.5	-74.3	-173.2	12.4	0	0	112.5	E66 A67 E73 R74	E66-Q70 WeakPolarHBondContact O-CG 3.38Å; E66-Q70 PolarHBondContact O-N 3.3Å; A67-Q70 PolarHBondContact O-N 3.31Å; Q70-E73 PolarHBondContact O-N 3.5Å; Q70-R74 WeakPolarHBondContact O-CB 3.4Å; Q70-R74 VanDerWaalsContact O-CG 3.25Å; Q70-R74 WeakPolarHBondContact O-CG 3.44Å; Q70-R74 PolarHBondContact O-N 3.45Å
71	E	95.4	Very high	95.9	Very high	133 Å²	133	122.1 Å²	122.1	62%	0.621	56%	0.562	S	S	*	*	H	α-helix	trans	-66.6	-41.3	176.3	-169.4	178.5	168.4	0	0	111.6	A67 E68 E69 R74 T75	A67-E71 PolarHBondContact O-N 2.98Å; E68-E71 PolarHBondContact O-N 3.24Å; E69-E71 VanDerWaalsContact C-N 3.31Å; E69-E71 PolarHBondContact O-N 2.92Å; E71-R74 PolarHBondContact O-N 2.87Å; E71-T75 WeakPolarHBondContact O-CB 3.38Å; E71-T75 PolarHBondContact O-N 3.15Å; E71-T75 PolarHBondContact O-OG1 3.31Å
72	R	96.3	Very high	96.2	Very high	168 Å²	168	121.9 Å²	121.9	63%	0.634	56%	0.559	S	S	*	*	H	α-helix	trans	-63	-43.4	174	-70.5	174.8	-177.2	-156.6	4	111.5	E68 E69 T75 K76	E68-R72 WeakPolarHBondContact O-CG 3.4Å; E68-R72 PolarHBondContact O-N 3.35Å; E68-R72 IonicContact OE1-CZ 2.67Å; E68-R72 IonicContact OE1-NE 2.64Å; E68-R72 PolarHBondContact OE1-NE 3.48Å; E68-R72 IonicContact OE1-NH2 3.13Å; E68-R72 PolarHBondContact OE1-NH2 3.46Å; E69-R72 PolarHBondContact O-N 3.48Å; R72-T75 PolarHBondContact O-N 3.47Å; R72-K76 WeakPolarHBondContact O-CB 3.44Å; R72-K76 PolarHBondContact O-N 2.86Å
73	E	96.1	Very high	96.3	Very high	132 Å²	132	117.2 Å²	117.2	62%	0.617	55%	0.548	S	S	*	.	H	α-helix	trans	-62.2	-45.8	177.7	-168	-173.3	160.4	0	0	111.3	E69 Q70 T75 K76 A77	E69-E73 PolarHBondContact O-N 2.62Å; Q70-E73 PolarHBondContact O-N 3.5Å; E73-T75 VanDerWaalsContact C-N 3.35Å; E73-T75 PolarHBondContact O-N 2.89Å; E73-K76 PolarHBondContact O-N 3.32Å; E73-A77 WeakPolarHBondContact O-CB 3.43Å; E73-A77 PolarHBondContact O-N 3.08Å
74	R	97.6	Very high	96.5	Very high	177 Å²	177	114.2 Å²	114.2	67%	0.668	54%	0.541	S	S	*	.	H	α-helix	trans	-61.1	-43.6	175.8	-73.4	175.3	-174.8	-170.3	5.7	112.2	Q70 E71 K76 A77 E78	Q70-R74 WeakPolarHBondContact O-CB 3.4Å; Q70-R74 VanDerWaalsContact O-CG 3.25Å; Q70-R74 WeakPolarHBondContact O-CG 3.44Å; Q70-R74 PolarHBondContact O-N 3.45Å; E71-R74 PolarHBondContact O-N 2.87Å; R74-K76 VanDerWaalsContact C-N 3.34Å; R74-K76 PolarHBondContact O-N 2.71Å; R74-A77 PolarHBondContact O-N 3.34Å; R74-E78 WeakPolarHBondContact O-CB 3.29Å; R74-E78 PolarHBondContact O-N 3.06Å
75	T	96.8	Very high	96.5	Very high	68 Å²	68	109.6 Å²	109.6	42%	0.417	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-43.7	178.4	-57.9	0	0	0	0	110.9	E71 R72 E73 E78 Q79	E71-T75 WeakPolarHBondContact O-CB 3.38Å; E71-T75 PolarHBondContact O-N 3.15Å; E71-T75 PolarHBondContact O-OG1 3.31Å; R72-T75 PolarHBondContact O-N 3.47Å; E73-T75 VanDerWaalsContact C-N 3.35Å; E73-T75 PolarHBondContact O-N 2.89Å; T75-E78 PolarHBondContact O-N 3.15Å; T75-Q79 WeakPolarHBondContact O-CG 3.44Å; T75-Q79 PolarHBondContact O-N 3.26Å
76	K	97.4	Very high	96.6	Very high	136 Å²	136	110.8 Å²	110.8	59%	0.591	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-47.1	176.3	-174.1	-179.8	176.6	-175	0	111.7	R72 E73 R74 E78 Q79 D80	R72-K76 WeakPolarHBondContact O-CB 3.44Å; R72-K76 PolarHBondContact O-N 2.86Å; E73-K76 PolarHBondContact O-N 3.32Å; R74-K76 VanDerWaalsContact C-N 3.34Å; R74-K76 PolarHBondContact O-N 2.71Å; K76-E78 VanDerWaalsContact C-N 3.28Å; K76-E78 PolarHBondContact O-N 3.45Å; K76-Q79 PolarHBondContact O-N 3.39Å; K76-Q79 VanDerWaalsContact O-N 3.16Å; K76-D80 WeakPolarHBondContact O-CB 3.48Å; K76-D80 PolarHBondContact O-N 2.92Å
77	A	97	Very high	96.8	Very high	58 Å²	58	112.1 Å²	112.1	48%	0.479	54%	0.536	S	S	.	.	H	α-helix	trans	-61.5	-36.4	177.5	0	0	0	0	0	112.4	E73 R74 R81	E73-A77 WeakPolarHBondContact O-CB 3.43Å; E73-A77 PolarHBondContact O-N 3.08Å; R74-A77 PolarHBondContact O-N 3.34Å; A77-R81 VanDerWaalsContact O-CB 3.31Å; A77-R81 WeakPolarHBondContact O-CB 3.48Å; A77-R81 PolarHBondContact O-N 2.87Å
78	E	96.4	Very high	96.9	Very high	109 Å²	109	112.2 Å²	112.2	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-68.2	-41.8	174.2	-170.6	-177.3	137.4	0	0	111.9	R74 T75 K76 R81 K82	R74-E78 WeakPolarHBondContact O-CB 3.29Å; R74-E78 PolarHBondContact O-N 3.06Å; T75-E78 PolarHBondContact O-N 3.15Å; K76-E78 VanDerWaalsContact C-N 3.28Å; K76-E78 PolarHBondContact O-N 3.45Å; E78-R81 PolarHBondContact O-N 2.86Å; E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 3.41Å; E78-K82 WeakPolarHBondContact OE1-CE 3.48Å; E78-K82 IonicContact OE1-NZ 3.27Å; E78-K82 PolarHBondContact OE1-NZ 3.33Å
79	Q	98.1	Very high	97	Very high	116 Å²	116	116.6 Å²	116.6	54%	0.542	55%	0.55	S	S	.	*	H	α-helix	trans	-62.7	-46.1	175.3	-74.3	-178.3	6.4	0	0	111.6	T75 K76 R81 K82 L83	T75-Q79 WeakPolarHBondContact O-CG 3.44Å; T75-Q79 PolarHBondContact O-N 3.26Å; K76-Q79 PolarHBondContact O-N 3.39Å; K76-Q79 VanDerWaalsContact O-N 3.16Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.95Å; Q79-K82 PolarHBondContact O-N 3.39Å; Q79-K82 VanDerWaalsContact O-N 3.15Å; Q79-L83 WeakPolarHBondContact O-CG 3.28Å; Q79-L83 PolarHBondContact O-N 3.45Å
80	D	97.7	Very high	97.1	Very high	87 Å²	87	116 Å²	116	47%	0.465	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-40.8	176.9	-72.5	-16.1	0	0	0	110.9	K76 L83 A84	K76-D80 WeakPolarHBondContact O-CB 3.48Å; K76-D80 PolarHBondContact O-N 2.92Å; D80-L83 PolarHBondContact O-N 3.35Å; D80-A84 WeakPolarHBondContact O-CB 3.38Å; D80-A84 PolarHBondContact O-N 2.96Å
81	R	97.7	Very high	97.2	Very high	186 Å²	186	118.8 Å²	118.8	70%	0.702	56%	0.562	S	S	*	*	H	α-helix	trans	-62.6	-43.3	173.9	-177.6	179.6	176.5	-179.5	0.4	112.3	A77 E78 Q79 A84 E85	A77-R81 VanDerWaalsContact O-CB 3.31Å; A77-R81 WeakPolarHBondContact O-CB 3.48Å; A77-R81 PolarHBondContact O-N 2.87Å; E78-R81 PolarHBondContact O-N 2.86Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.95Å; R81-A84 PolarHBondContact O-N 3.33Å; R81-E85 PolarHBondContact O-N 2.92Å
82	K	97.9	Very high	97.3	Very high	122 Å²	122	115.3 Å²	115.3	53%	0.53	56%	0.556	S	S	.	*	H	α-helix	trans	-63.4	-43.3	177.5	-78	177.7	-175.5	166.3	0	111.4	E78 Q79 E85 E86	E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 3.41Å; E78-K82 WeakPolarHBondContact OE1-CE 3.48Å; E78-K82 IonicContact OE1-NZ 3.27Å; E78-K82 PolarHBondContact OE1-NZ 3.33Å; Q79-K82 PolarHBondContact O-N 3.39Å; Q79-K82 VanDerWaalsContact O-N 3.15Å; K82-E85 PolarHBondContact O-N 2.97Å; K82-E86 WeakPolarHBondContact O-CB 3.3Å; K82-E86 PolarHBondContact O-N 3.35Å
83	L	97.7	Very high	97.3	Very high	94 Å²	94	110 Å²	110	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-62.7	-44.6	176.4	-72.8	171.3	0	0	0	111.5	Q79 D80 E85 E86 Q87	Q79-L83 WeakPolarHBondContact O-CG 3.28Å; Q79-L83 PolarHBondContact O-N 3.45Å; D80-L83 PolarHBondContact O-N 3.35Å; L83-E85 PolarHBondContact O-N 2.93Å; L83-E86 PolarHBondContact O-N 3.47Å; L83-Q87 WeakPolarHBondContact O-CB 3.43Å; L83-Q87 VanDerWaalsContact O-CG 3.3Å; L83-Q87 WeakPolarHBondContact O-CG 3.48Å; L83-Q87 PolarHBondContact O-N 2.84Å
84	A	97.8	Very high	97.3	Very high	56 Å²	56	113.4 Å²	113.4	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-41.3	176.5	0	0	0	0	0	112.2	D80 R81 A88	D80-A84 WeakPolarHBondContact O-CB 3.38Å; D80-A84 PolarHBondContact O-N 2.96Å; R81-A84 PolarHBondContact O-N 3.33Å; A84-A88 WeakPolarHBondContact O-CB 3.34Å; A84-A88 PolarHBondContact O-N 3.45Å
85	E	97.6	Very high	97.3	Very high	92 Å²	92	112.6 Å²	112.6	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-43.8	175.7	-172.7	-176.6	154.7	0	0	111.8	R81 K82 L83 A88 R89	R81-E85 PolarHBondContact O-N 2.92Å; K82-E85 PolarHBondContact O-N 2.97Å; L83-E85 PolarHBondContact O-N 2.93Å; E85-A88 PolarHBondContact O-N 2.6Å; E85-R89 WeakPolarHBondContact O-CG 3.33Å; E85-R89 PolarHBondContact O-N 3.26Å; E85-R89 IonicContact OE1-CZ 3.31Å; E85-R89 IonicContact OE1-NE 3Å; E85-R89 PolarHBondContact OE1-NE 2.93Å; E85-R89 IonicContact OE1-NH2 2.74Å; E85-R89 PolarHBondContact OE1-NH2 2.92Å
86	E	97.1	Very high	97.3	Very high	122 Å²	122	112.1 Å²	112.1	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-62.7	-44.6	178	-168	-168.3	151.5	0	0	111.3	K82 L83 A88 R89 M90	K82-E86 WeakPolarHBondContact O-CB 3.3Å; K82-E86 PolarHBondContact O-N 3.35Å; L83-E86 PolarHBondContact O-N 3.47Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.22Å; E86-R89 PolarHBondContact O-N 3.2Å; E86-M90 WeakPolarHBondContact O-CB 3.32Å; E86-M90 WeakPolarHBondContact O-CG 3.44Å; E86-M90 PolarHBondContact O-N 3.08Å
87	Q	97.4	Very high	97.3	Very high	141 Å²	141	107.8 Å²	107.8	66%	0.659	55%	0.549	S	S	*	.	H	α-helix	trans	-59.3	-45.2	174.9	-75.5	-178.4	-17.4	0	0	111.5	L83 R89 M90 E91	L83-Q87 WeakPolarHBondContact O-CB 3.43Å; L83-Q87 VanDerWaalsContact O-CG 3.3Å; L83-Q87 WeakPolarHBondContact O-CG 3.48Å; L83-Q87 PolarHBondContact O-N 2.84Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 2.97Å; Q87-M90 PolarHBondContact O-N 3.26Å; Q87-E91 WeakPolarHBondContact O-CB 3.13Å; Q87-E91 PolarHBondContact O-N 3.35Å
88	A	97.8	Very high	97.2	Very high	57 Å²	57	107.6 Å²	107.6	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-61.7	-39.7	176.4	0	0	0	0	0	112.1	A84 E85 E86 A92	A84-A88 WeakPolarHBondContact O-CB 3.34Å; A84-A88 PolarHBondContact O-N 3.45Å; E85-A88 PolarHBondContact O-N 2.6Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.22Å; A88-A92 VanDerWaalsContact O-CB 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.31Å; A88-A92 PolarHBondContact O-N 3.48Å
89	R	98.1	Very high	97.2	Very high	169 Å²	169	106.9 Å²	106.9	64%	0.638	54%	0.544	S	S	*	.	H	α-helix	trans	-64.8	-44.3	174.4	-75.6	-171.5	-171.6	-159.9	5.9	112.1	E85 E86 Q87 A92 A93	E85-R89 WeakPolarHBondContact O-CG 3.33Å; E85-R89 PolarHBondContact O-N 3.26Å; E85-R89 IonicContact OE1-CZ 3.31Å; E85-R89 IonicContact OE1-NE 3Å; E85-R89 PolarHBondContact OE1-NE 2.93Å; E85-R89 IonicContact OE1-NH2 2.74Å; E85-R89 PolarHBondContact OE1-NH2 2.92Å; E86-R89 PolarHBondContact O-N 3.2Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 2.97Å; R89-A92 PolarHBondContact O-N 3.46Å; R89-A93 VanDerWaalsContact O-CB 3.28Å; R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 2.93Å
90	M	96.8	Very high	97.1	Very high	126 Å²	126	106 Å²	106	62%	0.621	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-41.2	178.8	-75.6	-65.3	-71.8	0	0	111.7	E86 Q87 A93 R94	E86-M90 WeakPolarHBondContact O-CB 3.32Å; E86-M90 WeakPolarHBondContact O-CG 3.44Å; E86-M90 PolarHBondContact O-N 3.08Å; Q87-M90 PolarHBondContact O-N 3.26Å; M90-A93 PolarHBondContact O-N 3.26Å; M90-R94 WeakPolarHBondContact O-CB 3.47Å; M90-R94 PolarHBondContact O-N 3.49Å
91	E	97.1	Very high	96.9	Very high	146 Å²	146	111 Å²	111	68%	0.682	55%	0.552	S	S	*	*	H	α-helix	trans	-65.3	-45.9	175.8	-170.8	-179.7	169.9	0	0	111.5	Q87 A93 R94 K95	Q87-E91 WeakPolarHBondContact O-CB 3.13Å; Q87-E91 PolarHBondContact O-N 3.35Å; E91-A93 VanDerWaalsContact C-N 3.35Å; E91-A93 PolarHBondContact O-N 2.92Å; E91-R94 PolarHBondContact O-N 3.4Å; E91-K95 WeakPolarHBondContact O-CB 3.35Å; E91-K95 PolarHBondContact O-N 3.44Å
92	A	97.1	Very high	96.8	Very high	60 Å²	60	108.9 Å²	108.9	50%	0.496	55%	0.55	S	S	.	*	H	α-helix	trans	-60.5	-43.8	175.8	0	0	0	0	0	111.9	A88 R89 K95 A96	A88-A92 VanDerWaalsContact O-CB 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.31Å; A88-A92 PolarHBondContact O-N 3.48Å; R89-A92 PolarHBondContact O-N 3.46Å; A92-K95 PolarHBondContact O-N 2.87Å; A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 3.09Å
93	A	96.1	Very high	96.7	Very high	56 Å²	56	110.9 Å²	110.9	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-63.4	-42.5	176.3	0	0	0	0	0	111.8	R89 M90 E91 K95 A96 A97	R89-A93 VanDerWaalsContact O-CB 3.28Å; R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 2.93Å; M90-A93 PolarHBondContact O-N 3.26Å; E91-A93 VanDerWaalsContact C-N 3.35Å; E91-A93 PolarHBondContact O-N 2.92Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 2.91Å; A93-A96 PolarHBondContact O-N 3.06Å; A93-A97 WeakPolarHBondContact O-CB 3.33Å; A93-A97 PolarHBondContact O-N 2.92Å
94	R	96.6	Very high	96.6	Very high	204 Å²	204	114.2 Å²	114.2	77%	0.77	56%	0.561	S	S	*	*	H	α-helix	trans	-62.5	-42.2	176.1	-176	-179.9	178.2	-174.6	0	111.5	M90 E91 A97 A98	M90-R94 WeakPolarHBondContact O-CB 3.47Å; M90-R94 PolarHBondContact O-N 3.49Å; E91-R94 PolarHBondContact O-N 3.4Å; R94-A97 PolarHBondContact O-N 3.37Å; R94-A98 WeakPolarHBondContact O-CB 3.39Å; R94-A98 PolarHBondContact O-N 2.89Å
95	K	97.1	Very high	96.6	Very high	159 Å²	159	116.4 Å²	116.4	69%	0.691	56%	0.561	S	S	*	*	H	α-helix	trans	-64.4	-45.6	177.1	-172.4	176.8	179.5	-180	0	111.4	E91 A92 A93 A97 A98 E99	E91-K95 WeakPolarHBondContact O-CB 3.35Å; E91-K95 PolarHBondContact O-N 3.44Å; A92-K95 PolarHBondContact O-N 2.87Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 2.91Å; K95-A97 PolarHBondContact O-N 3.44Å; K95-A98 PolarHBondContact O-N 2.59Å; K95-E99 PolarHBondContact O-N 3.49Å
96	A	96.9	Very high	96.5	Very high	59 Å²	59	114.7 Å²	114.7	49%	0.488	56%	0.563	S	S	.	*	H	α-helix	trans	-60.9	-43.9	175.8	0	0	0	0	0	111.9	A92 A93 A98 E99 E100	A92-A96 WeakPolarHBondContact O-CB 3.4Å; A92-A96 PolarHBondContact O-N 3.09Å; A93-A96 PolarHBondContact O-N 3.06Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 2.98Å; A96-E99 PolarHBondContact O-N 3.29Å; A96-E100 WeakPolarHBondContact O-CB 3.39Å; A96-E100 PolarHBondContact O-N 3.44Å
97	A	96.8	Very high	96.4	Very high	44 Å²	44	115.7 Å²	115.7	36%	0.364	57%	0.568	S	S	.	*	H	α-helix	trans	-65.1	-34.7	176.7	0	0	0	0	0	112.7	A93 R94 K95 R101	A93-A97 WeakPolarHBondContact O-CB 3.33Å; A93-A97 PolarHBondContact O-N 2.92Å; R94-A97 PolarHBondContact O-N 3.37Å; K95-A97 PolarHBondContact O-N 3.44Å; A97-R101 WeakPolarHBondContact O-CB 3.44Å; A97-R101 VanDerWaalsContact O-CG 3.26Å; A97-R101 WeakPolarHBondContact O-CG 3.42Å; A97-R101 PolarHBondContact O-N 2.74Å; A97-R101 VanDerWaalsContact O-N 3.07Å
98	A	96.2	Very high	96.3	Very high	55 Å²	55	113.5 Å²	113.5	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-67.4	-45.7	174.2	0	0	0	0	0	111.5	R94 K95 A96 E100 R101 E102	R94-A98 WeakPolarHBondContact O-CB 3.39Å; R94-A98 PolarHBondContact O-N 2.89Å; K95-A98 PolarHBondContact O-N 2.59Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 2.98Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.27Å; A98-R101 PolarHBondContact O-N 3Å; A98-E102 WeakPolarHBondContact O-CB 3.39Å; A98-E102 PolarHBondContact O-N 2.88Å
99	E	96.2	Very high	96.2	Very high	93 Å²	93	118.6 Å²	118.6	44%	0.435	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-41.2	176.4	-170.7	-173.6	142.5	0	0	111.5	K95 A96 R101 E102 R103	K95-E99 PolarHBondContact O-N 3.49Å; A96-E99 PolarHBondContact O-N 3.29Å; E99-R101 PolarHBondContact O-N 2.67Å; E99-E102 PolarHBondContact O-N 3.34Å; E99-R103 WeakPolarHBondContact O-CG 3.31Å; E99-R103 PolarHBondContact O-N 2.89Å; E99-R103 IonicContact OE1-CZ 3.04Å; E99-R103 IonicContact OE1-NE 2.98Å; E99-R103 PolarHBondContact OE1-NE 3.4Å; E99-R103 VanDerWaalsContact OE1-NE 3.14Å; E99-R103 IonicContact OE1-NH2 2.59Å; E99-R103 PolarHBondContact OE1-NH2 2.97Å
100	E	94.7	Very high	96	Very high	98 Å²	98	117.4 Å²	117.4	46%	0.458	57%	0.566	S	S	.	*	H	α-helix	trans	-63.2	-42.6	176.7	-169.5	-173.1	164	0	0	111.6	A96 A98 R103 R104	A96-E100 WeakPolarHBondContact O-CB 3.39Å; A96-E100 PolarHBondContact O-N 3.44Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.27Å; E100-R103 PolarHBondContact O-N 2.9Å; E100-R104 WeakPolarHBondContact O-CG 3.46Å; E100-R104 PolarHBondContact O-N 2.93Å; E100-R104 IonicContact OE1-CZ 3.44Å; E100-R104 VanDerWaalsContact OE1-CZ 3.27Å; E100-R104 IonicContact OE1-NE 3.09Å; E100-R104 PolarHBondContact OE1-NE 2.91Å; E100-R104 IonicContact OE1-NH2 2.87Å; E100-R104 PolarHBondContact OE1-NH2 3.31Å
101	R	95.2	Very high	96	Very high	191 Å²	191	119 Å²	119	72%	0.721	57%	0.565	S	S	*	*	H	α-helix	trans	-62.4	-43.4	175.2	-76	176	-179.8	-145.5	1	111.8	A97 A98 E99 R104 E105	A97-R101 WeakPolarHBondContact O-CB 3.44Å; A97-R101 VanDerWaalsContact O-CG 3.26Å; A97-R101 WeakPolarHBondContact O-CG 3.42Å; A97-R101 PolarHBondContact O-N 2.74Å; A97-R101 VanDerWaalsContact O-N 3.07Å; A98-R101 PolarHBondContact O-N 3Å; E99-R101 PolarHBondContact O-N 2.67Å; R101-R104 PolarHBondContact O-N 2.64Å; R101-E105 WeakPolarHBondContact O-CB 3.31Å; R101-E105 PolarHBondContact O-N 2.88Å
102	E	95.3	Very high	95.9	Very high	142 Å²	142	119.7 Å²	119.7	66%	0.664	56%	0.561	S	S	*	*	H	α-helix	trans	-61.2	-45.2	177.4	-173.2	-179.2	161.5	0	0	111.3	A98 E99 R104 E105 A106	A98-E102 WeakPolarHBondContact O-CB 3.39Å; A98-E102 PolarHBondContact O-N 2.88Å; E99-E102 PolarHBondContact O-N 3.34Å; E102-R104 PolarHBondContact O-N 2.86Å; E102-E105 PolarHBondContact O-N 3.5Å; E102-A106 WeakPolarHBondContact O-CB 3.31Å; E102-A106 PolarHBondContact O-N 3.48Å
103	R	96.4	Very high	95.9	Very high	165 Å²	165	121.6 Å²	121.6	62%	0.623	56%	0.56	S	S	*	*	H	α-helix	trans	-59.6	-46.6	174.9	-75.2	-179.7	-175.9	-109.1	2.9	112.1	E99 E100 A106 E107	E99-R103 WeakPolarHBondContact O-CG 3.31Å; E99-R103 PolarHBondContact O-N 2.89Å; E99-R103 IonicContact OE1-CZ 3.04Å; E99-R103 IonicContact OE1-NE 2.98Å; E99-R103 PolarHBondContact OE1-NE 3.4Å; E99-R103 VanDerWaalsContact OE1-NE 3.14Å; E99-R103 IonicContact OE1-NH2 2.59Å; E99-R103 PolarHBondContact OE1-NH2 2.97Å; E100-R103 PolarHBondContact O-N 2.9Å; R103-A106 PolarHBondContact O-N 2.93Å; R103-E107 WeakPolarHBondContact O-CB 3.44Å; R103-E107 PolarHBondContact O-N 3.19Å
104	R	95.4	Very high	95.8	Very high	164 Å²	164	121.6 Å²	121.6	62%	0.619	56%	0.56	S	S	*	*	H	α-helix	trans	-63.7	-40.9	178.3	-72.8	-176.4	-172.9	-153.1	4.3	112	E100 R101 E102 E107 E108	E100-R104 WeakPolarHBondContact O-CG 3.46Å; E100-R104 PolarHBondContact O-N 2.93Å; E100-R104 IonicContact OE1-CZ 3.44Å; E100-R104 VanDerWaalsContact OE1-CZ 3.27Å; E100-R104 IonicContact OE1-NE 3.09Å; E100-R104 PolarHBondContact OE1-NE 2.91Å; E100-R104 IonicContact OE1-NH2 2.87Å; E100-R104 PolarHBondContact OE1-NH2 3.31Å; R101-R104 PolarHBondContact O-N 2.64Å; E102-R104 PolarHBondContact O-N 2.86Å; R104-E107 PolarHBondContact O-N 3.32Å; R104-E108 WeakPolarHBondContact O-CB 3.46Å; R104-E108 PolarHBondContact O-N 3.47Å
105	E	96.3	Very high	95.8	Very high	101 Å²	101	117 Å²	117	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-66.1	-41.4	176.9	-171	-177.3	153.4	0	0	111.4	R101 E102 E108 R109	R101-E105 WeakPolarHBondContact O-CB 3.31Å; R101-E105 PolarHBondContact O-N 2.88Å; E102-E105 PolarHBondContact O-N 3.5Å; E105-E108 PolarHBondContact O-N 3.35Å; E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 VanDerWaalsContact O-CG 3.28Å; E105-R109 WeakPolarHBondContact O-CG 3.39Å; E105-R109 PolarHBondContact O-N 3.48Å; E105-R109 IonicContact OE1-CZ 3.15Å; E105-R109 VanDerWaalsContact OE1-CZ 3.3Å; E105-R109 IonicContact OE1-NE 3.4Å; E105-R109 PolarHBondContact OE1-NE 3.49Å; E105-R109 IonicContact OE1-NH2 3.38Å; E105-R109 PolarHBondContact OE1-NH2 3.38Å
106	A	95.6	Very high	95.7	Very high	56 Å²	56	114 Å²	114	46%	0.463	54%	0.536	S	S	.	.	H	α-helix	trans	-61.4	-46.7	175.7	0	0	0	0	0	111.6	E102 R103 E108 R109 E110	E102-A106 WeakPolarHBondContact O-CB 3.31Å; E102-A106 PolarHBondContact O-N 3.48Å; R103-A106 PolarHBondContact O-N 2.93Å; A106-E108 PolarHBondContact O-N 2.89Å; A106-R109 PolarHBondContact O-N 3.07Å; A106-E110 PolarHBondContact O-N 3.26Å
107	E	95.5	Very high	95.6	Very high	143 Å²	143	118.9 Å²	118.9	67%	0.668	54%	0.542	S	S	*	.	H	α-helix	trans	-62.4	-42.1	176.5	-172.8	-177	124	0	0	111.7	R103 R104 R109 E110 R111	R103-E107 WeakPolarHBondContact O-CB 3.44Å; R103-E107 PolarHBondContact O-N 3.19Å; R104-E107 PolarHBondContact O-N 3.32Å; E107-R109 PolarHBondContact O-N 3.48Å; E107-E110 PolarHBondContact O-N 2.95Å; E107-R111 WeakPolarHBondContact O-CB 3.37Å; E107-R111 PolarHBondContact O-N 3.31Å
108	E	95.3	Very high	95.5	Very high	96 Å²	96	123.5 Å²	123.5	45%	0.449	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-39.4	177.8	-163.9	-169.7	137.1	0	0	111.7	R104 E105 A106 R111 R112	R104-E108 WeakPolarHBondContact O-CB 3.46Å; R104-E108 PolarHBondContact O-N 3.47Å; E105-E108 PolarHBondContact O-N 3.35Å; A106-E108 PolarHBondContact O-N 2.89Å; E108-R111 PolarHBondContact O-N 2.94Å; E108-R112 WeakPolarHBondContact O-CB 3.38Å; E108-R112 VanDerWaalsContact O-CG 3.31Å; E108-R112 WeakPolarHBondContact O-CG 3.47Å; E108-R112 PolarHBondContact O-N 3.14Å; E108-R112 IonicContact OE1-CZ 3.42Å; E108-R112 IonicContact OE1-NE 2.69Å; E108-R112 PolarHBondContact OE1-NE 3.44Å; E108-R112 IonicContact OE1-NH2 3.31Å; E108-R112 PolarHBondContact OE1-NH2 2.88Å
109	R	95.4	Very high	95.5	Very high	164 Å²	164	128.9 Å²	128.9	62%	0.619	56%	0.564	S	S	*	*	H	α-helix	trans	-62.3	-45.6	174	-77.9	174.3	-179.7	-102.4	3.7	111.3	E105 A106 E107 R111 R112 E113	E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 VanDerWaalsContact O-CG 3.28Å; E105-R109 WeakPolarHBondContact O-CG 3.39Å; E105-R109 PolarHBondContact O-N 3.48Å; E105-R109 IonicContact OE1-CZ 3.15Å; E105-R109 VanDerWaalsContact OE1-CZ 3.3Å; E105-R109 IonicContact OE1-NE 3.4Å; E105-R109 PolarHBondContact OE1-NE 3.49Å; E105-R109 IonicContact OE1-NH2 3.38Å; E105-R109 PolarHBondContact OE1-NH2 3.38Å; A106-R109 PolarHBondContact O-N 3.07Å; E107-R109 PolarHBondContact O-N 3.48Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-R111 PolarHBondContact O-N 2.93Å; R109-R112 PolarHBondContact O-N 2.92Å; R109-E113 PolarHBondContact O-N 3.46Å
110	E	95	Very high	95.5	Very high	143 Å²	143	132 Å²	132	67%	0.668	57%	0.572	S	S	*	*	H	α-helix	trans	-61	-45	176.6	-172.3	-179.7	165	0	0	111	A106 E107 R112 E113 A114	A106-E110 PolarHBondContact O-N 3.26Å; E107-E110 PolarHBondContact O-N 2.95Å; E110-R112 PolarHBondContact O-N 3.33Å; E110-E113 PolarHBondContact O-N 2.91Å; E110-A114 WeakPolarHBondContact O-CB 3.36Å; E110-A114 PolarHBondContact O-N 3.31Å
111	R	96.9	Very high	95.5	Very high	159 Å²	159	132.2 Å²	132.2	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-59.7	-45.1	176.2	-171.6	-172.5	175.9	-69.4	-7	111.8	E107 E108 R109 A114 E115	E107-R111 WeakPolarHBondContact O-CB 3.37Å; E107-R111 PolarHBondContact O-N 3.31Å; E108-R111 PolarHBondContact O-N 2.94Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-R111 PolarHBondContact O-N 2.93Å; R111-A114 PolarHBondContact O-N 2.77Å; R111-E115 IonicContact CZ-OE2 2.6Å; R111-E115 IonicContact NH1-OE2 2.77Å; R111-E115 PolarHBondContact NH1-OE2 2.86Å; R111-E115 IonicContact NH2-OE2 3.26Å; R111-E115 WeakPolarHBondContact O-CB 3.42Å; R111-E115 PolarHBondContact O-N 2.96Å
112	R	94.6	Very high	95.5	Very high	161 Å²	161	125.7 Å²	125.7	61%	0.608	56%	0.56	S	S	*	*	H	α-helix	trans	-64.2	-41.6	177.5	-75	177.7	-175.4	-146.3	4.8	111.7	E108 R109 E110 E115 E116	E108-R112 WeakPolarHBondContact O-CB 3.38Å; E108-R112 VanDerWaalsContact O-CG 3.31Å; E108-R112 WeakPolarHBondContact O-CG 3.47Å; E108-R112 PolarHBondContact O-N 3.14Å; E108-R112 IonicContact OE1-CZ 3.42Å; E108-R112 IonicContact OE1-NE 2.69Å; E108-R112 PolarHBondContact OE1-NE 3.44Å; E108-R112 IonicContact OE1-NH2 3.31Å; E108-R112 PolarHBondContact OE1-NH2 2.88Å; R109-R112 PolarHBondContact O-N 2.92Å; E110-R112 PolarHBondContact O-N 3.33Å; R112-E115 PolarHBondContact O-N 2.91Å; R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 PolarHBondContact O-N 3.46Å
113	E	96.1	Very high	95.5	Very high	101 Å²	101	122.4 Å²	122.4	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-65.4	-41.9	177.4	-169.4	-176.4	157.2	0	0	111.5	R109 E110 E116 R117	R109-E113 PolarHBondContact O-N 3.46Å; E110-E113 PolarHBondContact O-N 2.91Å; E113-E116 PolarHBondContact O-N 3.45Å; E113-R117 WeakPolarHBondContact O-CB 3.26Å; E113-R117 VanDerWaalsContact O-CG 3.31Å; E113-R117 WeakPolarHBondContact O-CG 3.5Å; E113-R117 PolarHBondContact O-N 2.88Å; E113-R117 IonicContact OE1-CZ 3.61Å; E113-R117 VanDerWaalsContact OE1-CZ 3.31Å; E113-R117 IonicContact OE1-NE 3.62Å; E113-R117 PolarHBondContact OE1-NE 3.48Å; E113-R117 IonicContact OE1-NH2 2.84Å; E113-R117 PolarHBondContact OE1-NH2 3.24Å
114	A	95.4	Very high	95.4	Very high	56 Å²	56	119 Å²	119	46%	0.463	54%	0.536	S	S	.	.	H	α-helix	trans	-61.7	-47	175.5	0	0	0	0	0	111.7	E110 R111 E116 R117 E118	E110-A114 WeakPolarHBondContact O-CB 3.36Å; E110-A114 PolarHBondContact O-N 3.31Å; R111-A114 PolarHBondContact O-N 2.77Å; A114-E116 VanDerWaalsContact C-N 3.33Å; A114-E116 PolarHBondContact O-N 3.41Å; A114-R117 PolarHBondContact O-N 3.38Å; A114-E118 PolarHBondContact O-N 3.44Å
115	E	95.5	Very high	95.4	Very high	107 Å²	107	118.4 Å²	118.4	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-39.5	177.2	-167.6	-179.1	117.3	0	0	111.6	R111 R112 E118 R119	R111-E115 IonicContact CZ-OE2 2.6Å; R111-E115 IonicContact NH1-OE2 2.77Å; R111-E115 PolarHBondContact NH1-OE2 2.86Å; R111-E115 IonicContact NH2-OE2 3.26Å; R111-E115 WeakPolarHBondContact O-CB 3.42Å; R111-E115 PolarHBondContact O-N 2.96Å; R112-E115 PolarHBondContact O-N 2.91Å; E115-E118 PolarHBondContact O-N 2.82Å; E115-R119 WeakPolarHBondContact O-CB 3.38Å; E115-R119 PolarHBondContact O-N 3.34Å
116	E	95.3	Very high	95.3	Very high	96 Å²	96	120.1 Å²	120.1	45%	0.449	54%	0.542	S	S	.	.	H	α-helix	trans	-66.7	-41.7	176.1	-166.9	-171	148	0	0	112	R112 E113 A114 R119 R120	R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 PolarHBondContact O-N 3.46Å; E113-E116 PolarHBondContact O-N 3.45Å; A114-E116 VanDerWaalsContact C-N 3.33Å; A114-E116 PolarHBondContact O-N 3.41Å; E116-R119 PolarHBondContact O-N 2.89Å; E116-R120 VanDerWaalsContact O-CG 3.31Å; E116-R120 WeakPolarHBondContact O-CG 3.39Å; E116-R120 PolarHBondContact O-N 3.45Å; E116-R120 IonicContact OE1-CZ 2.67Å; E116-R120 IonicContact OE1-NE 2.67Å; E116-R120 PolarHBondContact OE1-NE 2.92Å; E116-R120 IonicContact OE1-NH2 3.32Å; E116-R120 PolarHBondContact OE1-NH2 3.26Å
117	R	95	Very high	95.3	Very high	162 Å²	162	125.3 Å²	125.3	61%	0.611	55%	0.549	S	S	*	.	H	α-helix	trans	-62.1	-45.2	175.4	-75.9	172.9	-179.6	-101.7	4	111.2	E113 A114 R119 R120 E121	E113-R117 WeakPolarHBondContact O-CB 3.26Å; E113-R117 VanDerWaalsContact O-CG 3.31Å; E113-R117 WeakPolarHBondContact O-CG 3.5Å; E113-R117 PolarHBondContact O-N 2.88Å; E113-R117 IonicContact OE1-CZ 3.61Å; E113-R117 VanDerWaalsContact OE1-CZ 3.31Å; E113-R117 IonicContact OE1-NE 3.62Å; E113-R117 PolarHBondContact OE1-NE 3.48Å; E113-R117 IonicContact OE1-NH2 2.84Å; E113-R117 PolarHBondContact OE1-NH2 3.24Å; A114-R117 PolarHBondContact O-N 3.38Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 3.19Å; R117-R120 PolarHBondContact O-N 2.87Å; R117-E121 PolarHBondContact O-N 3.33Å
118	E	95.2	Very high	95.2	Very high	141 Å²	141	126.2 Å²	126.2	66%	0.659	55%	0.547	S	S	*	.	H	α-helix	trans	-60.4	-45	176	-172.4	-177.4	168.7	0	0	111.1	A114 E115 R120 E121 A122	A114-E118 PolarHBondContact O-N 3.44Å; E115-E118 PolarHBondContact O-N 2.82Å; E118-R120 VanDerWaalsContact C-N 3.34Å; E118-R120 PolarHBondContact O-N 2.92Å; E118-E121 PolarHBondContact O-N 3.33Å; E118-A122 WeakPolarHBondContact O-CB 3.46Å; E118-A122 PolarHBondContact O-N 2.91Å
119	R	96.2	Very high	95.2	Very high	167 Å²	167	126.9 Å²	126.9	63%	0.63	55%	0.55	S	S	*	.	H	α-helix	trans	-61	-41.9	176.8	-170.6	-176.9	179.7	-73.5	-4.4	112.1	E115 E116 R117 E123	E115-R119 WeakPolarHBondContact O-CB 3.38Å; E115-R119 PolarHBondContact O-N 3.34Å; E116-R119 PolarHBondContact O-N 2.89Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-R119 PolarHBondContact O-N 3.19Å; R119-E123 IonicContact NH1-OE2 3.61Å; R119-E123 WeakPolarHBondContact O-CB 3.48Å; R119-E123 PolarHBondContact O-N 2.88Å
120	R	95.3	Very high	95.1	Very high	160 Å²	160	121.2 Å²	121.2	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-42.8	176.7	-73.9	175.6	-178.1	-153.7	-0.2	111.5	E116 R117 E118 E123 E124	E116-R120 VanDerWaalsContact O-CG 3.31Å; E116-R120 WeakPolarHBondContact O-CG 3.39Å; E116-R120 PolarHBondContact O-N 3.45Å; E116-R120 IonicContact OE1-CZ 2.67Å; E116-R120 IonicContact OE1-NE 2.67Å; E116-R120 PolarHBondContact OE1-NE 2.92Å; E116-R120 IonicContact OE1-NH2 3.32Å; E116-R120 PolarHBondContact OE1-NH2 3.26Å; R117-R120 PolarHBondContact O-N 2.87Å; E118-R120 VanDerWaalsContact C-N 3.34Å; E118-R120 PolarHBondContact O-N 2.92Å; R120-E123 PolarHBondContact O-N 3.25Å; R120-E124 WeakPolarHBondContact O-CB 3.49Å; R120-E124 PolarHBondContact O-N 2.67Å
121	E	95.6	Very high	95	Very high	101 Å²	101	121.3 Å²	121.3	47%	0.472	54%	0.538	S	S	.	.	H	α-helix	trans	-65.3	-41.6	177.6	-167.2	-175.3	155	0	0	111.5	R117 E118 E124 R125	R117-E121 PolarHBondContact O-N 3.33Å; E118-E121 PolarHBondContact O-N 3.33Å; E121-E124 PolarHBondContact O-N 3.36Å; E121-R125 WeakPolarHBondContact O-CB 3.28Å; E121-R125 VanDerWaalsContact O-CG 3.31Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 3.41Å; E121-R125 IonicContact OE1-CZ 2.62Å; E121-R125 VanDerWaalsContact OE1-CZ 3.31Å; E121-R125 IonicContact OE1-NE 2.71Å; E121-R125 PolarHBondContact OE1-NE 3.15Å; E121-R125 VanDerWaalsContact OE1-NE 3.08Å; E121-R125 IonicContact OE1-NH2 3.31Å; E121-R125 PolarHBondContact OE1-NH2 3.4Å
122	A	94.9	Very high	94.9	Very high	55 Å²	55	118.8 Å²	118.8	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-45.6	174.7	0	0	0	0	0	111.8	E118 E124 R125 E126	E118-A122 WeakPolarHBondContact O-CB 3.46Å; E118-A122 PolarHBondContact O-N 2.91Å; A122-E124 VanDerWaalsContact C-N 3.33Å; A122-E124 PolarHBondContact O-N 2.91Å; A122-R125 PolarHBondContact O-N 3.3Å; A122-E126 PolarHBondContact O-N 2.9Å
123	E	95.3	Very high	94.8	Very high	73 Å²	73	117.8 Å²	117.8	34%	0.341	53%	0.533	S	S	.	.	H	α-helix	trans	-62.3	-40.3	176.2	-171	-176	136.7	0	0	111.6	R119 R120 E126 R127	R119-E123 IonicContact NH1-OE2 3.61Å; R119-E123 WeakPolarHBondContact O-CB 3.48Å; R119-E123 PolarHBondContact O-N 2.88Å; R120-E123 PolarHBondContact O-N 3.25Å; E123-E126 PolarHBondContact O-N 3.47Å; E123-R127 WeakPolarHBondContact O-CG 3.45Å; E123-R127 PolarHBondContact O-N 3.42Å; E123-R127 IonicContact OE1-CZ 3.47Å; E123-R127 IonicContact OE1-NE 3.34Å; E123-R127 PolarHBondContact OE1-NE 2.97Å; E123-R127 VanDerWaalsContact OE1-NE 3.09Å; E123-R127 IonicContact OE1-NH2 2.82Å; E123-R127 PolarHBondContact OE1-NH2 2.97Å
124	E	94.5	Very high	94.7	Very high	94 Å²	94	120.3 Å²	120.3	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-66.4	-41.4	178	-165.6	-173.3	155.8	0	0	111.9	R120 E121 A122 R127 R128	R120-E124 WeakPolarHBondContact O-CB 3.49Å; R120-E124 PolarHBondContact O-N 2.67Å; E121-E124 PolarHBondContact O-N 3.36Å; A122-E124 VanDerWaalsContact C-N 3.33Å; A122-E124 PolarHBondContact O-N 2.91Å; E124-R127 PolarHBondContact O-N 3.3Å; E124-R128 WeakPolarHBondContact O-CG 3.47Å; E124-R128 PolarHBondContact O-N 2.9Å; E124-R128 IonicContact OE1-CZ 3.08Å; E124-R128 IonicContact OE1-NE 2.93Å; E124-R128 PolarHBondContact OE1-NE 2.93Å; E124-R128 IonicContact OE1-NH2 3.11Å; E124-R128 PolarHBondContact OE1-NH2 2.8Å
125	R	94.4	Very high	94.7	Very high	150 Å²	150	120.4 Å²	120.4	57%	0.566	54%	0.544	S	S	*	.	H	α-helix	trans	-60.9	-45.7	173.8	-73.7	172.7	-179.6	-122.3	6.6	111.1	E121 A122 R127 R128 E129	E121-R125 WeakPolarHBondContact O-CB 3.28Å; E121-R125 VanDerWaalsContact O-CG 3.31Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 3.41Å; E121-R125 IonicContact OE1-CZ 2.62Å; E121-R125 VanDerWaalsContact OE1-CZ 3.31Å; E121-R125 IonicContact OE1-NE 2.71Å; E121-R125 PolarHBondContact OE1-NE 3.15Å; E121-R125 VanDerWaalsContact OE1-NE 3.08Å; E121-R125 IonicContact OE1-NH2 3.31Å; E121-R125 PolarHBondContact OE1-NH2 3.4Å; A122-R125 PolarHBondContact O-N 3.3Å; R125-R127 VanDerWaalsContact C-N 3.35Å; R125-R127 PolarHBondContact O-N 2.9Å; R125-R128 PolarHBondContact O-N 3.41Å; R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 3.33Å
126	E	94.9	Very high	94.6	Very high	137 Å²	137	121.1 Å²	121.1	64%	0.64	55%	0.545	S	S	*	.	H	α-helix	trans	-61.1	-43.3	177	-171.5	-175.8	166.2	0	0	111.7	A122 E123 R128 E129 A130	A122-E126 PolarHBondContact O-N 2.9Å; E123-E126 PolarHBondContact O-N 3.47Å; E126-R128 PolarHBondContact O-N 2.95Å; E126-E129 PolarHBondContact O-N 3.49Å; E126-A130 WeakPolarHBondContact O-CB 3.45Å; E126-A130 PolarHBondContact O-N 3.34Å
127	R	95.1	Very high	94.5	Very high	165 Å²	165	119.2 Å²	119.2	62%	0.623	55%	0.546	S	S	*	.	H	α-helix	trans	-60	-44.6	175.3	-76.5	177	-176.5	-101.2	2.4	111.9	E123 E124 R125 A130 E131	E123-R127 WeakPolarHBondContact O-CG 3.45Å; E123-R127 PolarHBondContact O-N 3.42Å; E123-R127 IonicContact OE1-CZ 3.47Å; E123-R127 IonicContact OE1-NE 3.34Å; E123-R127 PolarHBondContact OE1-NE 2.97Å; E123-R127 VanDerWaalsContact OE1-NE 3.09Å; E123-R127 IonicContact OE1-NH2 2.82Å; E123-R127 PolarHBondContact OE1-NH2 2.97Å; E124-R127 PolarHBondContact O-N 3.3Å; R125-R127 VanDerWaalsContact C-N 3.35Å; R125-R127 PolarHBondContact O-N 2.9Å; R127-A130 PolarHBondContact O-N 2.93Å; R127-E131 WeakPolarHBondContact O-CB 3.3Å; R127-E131 PolarHBondContact O-N 3.38Å
128	R	93.8	Very high	94.4	Very high	162 Å²	162	116.9 Å²	116.9	61%	0.611	54%	0.542	S	S	*	.	H	α-helix	trans	-63	-44.3	177.3	-72.7	174.8	-179.5	-169.5	-1.4	111.6	E124 R125 E126 A130 E131 E132	E124-R128 WeakPolarHBondContact O-CG 3.47Å; E124-R128 PolarHBondContact O-N 2.9Å; E124-R128 IonicContact OE1-CZ 3.08Å; E124-R128 IonicContact OE1-NE 2.93Å; E124-R128 PolarHBondContact OE1-NE 2.93Å; E124-R128 IonicContact OE1-NH2 3.11Å; E124-R128 PolarHBondContact OE1-NH2 2.8Å; R125-R128 PolarHBondContact O-N 3.41Å; E126-R128 PolarHBondContact O-N 2.95Å; R128-A130 VanDerWaalsContact C-N 3.35Å; R128-A130 PolarHBondContact O-N 2.88Å; R128-E131 PolarHBondContact O-N 2.86Å; R128-E132 WeakPolarHBondContact O-CB 3.5Å; R128-E132 PolarHBondContact O-N 2.91Å
129	E	95.1	Very high	94.2	Very high	111 Å²	111	116.9 Å²	116.9	52%	0.519	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-40.2	176.1	-73.8	-173.6	-170.6	0	0	112.4	R125 E126 E132 K133	R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 3.33Å; E126-E129 PolarHBondContact O-N 3.49Å; E129-E132 PolarHBondContact O-N 3.45Å; E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 VanDerWaalsContact O-CG 3.28Å; E129-K133 WeakPolarHBondContact O-CG 3.32Å; E129-K133 PolarHBondContact O-N 2.96Å
130	A	94	Very high	94	Very high	44 Å²	44	115.7 Å²	115.7	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-39.7	176.4	0	0	0	0	0	111.7	E126 R127 R128 K134	E126-A130 WeakPolarHBondContact O-CB 3.45Å; E126-A130 PolarHBondContact O-N 3.34Å; R127-A130 PolarHBondContact O-N 2.93Å; R128-A130 VanDerWaalsContact C-N 3.35Å; R128-A130 PolarHBondContact O-N 2.88Å; A130-K134 WeakPolarHBondContact O-CG 3.4Å; A130-K134 PolarHBondContact O-N 3.39Å
131	E	93	Very high	93.8	Very high	145 Å²	145	110.9 Å²	110.9	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-65.5	-44.8	174.9	-169.8	177.8	127.6	0	0	111.6	R127 R128 K133 K134 A135	R127-E131 WeakPolarHBondContact O-CB 3.3Å; R127-E131 PolarHBondContact O-N 3.38Å; R128-E131 PolarHBondContact O-N 2.86Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 PolarHBondContact O-N 3.35Å; E131-K134 WeakPolarHBondContact O-CB 3.45Å; E131-K134 PolarHBondContact O-N 2.86Å; E131-K134 VanDerWaalsContact O-N 3.15Å; E131-A135 PolarHBondContact O-N 3.45Å
132	E	93.3	Very high	93.7	Very high	106 Å²	106	111.6 Å²	111.6	50%	0.495	54%	0.539	S	S	.	.	H	α-helix	trans	-62	-41.8	177.3	-167.6	-169.6	140.7	0	0	111.7	R128 E129 K134 A135 K136	R128-E132 WeakPolarHBondContact O-CB 3.5Å; R128-E132 PolarHBondContact O-N 2.91Å; E129-E132 PolarHBondContact O-N 3.45Å; E132-K134 VanDerWaalsContact C-N 3.33Å; E132-K134 PolarHBondContact O-N 2.96Å; E132-A135 PolarHBondContact O-N 3.24Å; E132-K136 HydrophobicContact CG-CD 4.44Å; E132-K136 WeakPolarHBondContact O-CB 3.18Å; E132-K136 WeakPolarHBondContact O-CG 3.41Å; E132-K136 PolarHBondContact O-N 3.16Å; E132-K136 VanDerWaalsContact OE1-CE 3.29Å; E132-K136 WeakPolarHBondContact OE1-CE 3.41Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 2.96Å
133	K	93.6	Very high	93.6	Very high	141 Å²	141	111.7 Å²	111.7	61%	0.613	54%	0.54	S	S	*	.	H	α-helix	trans	-61.6	-41.2	174.4	-75.7	170.5	-175.2	165.1	0	111.8	E129 E131 A137	E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 VanDerWaalsContact O-CG 3.28Å; E129-K133 WeakPolarHBondContact O-CG 3.32Å; E129-K133 PolarHBondContact O-N 2.96Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 PolarHBondContact O-N 3.35Å; K133-A137 WeakPolarHBondContact O-CB 3.42Å; K133-A137 PolarHBondContact O-N 3.45Å
134	K	94.3	Very high	93.5	Very high	154 Å²	154	116.8 Å²	116.8	67%	0.67	56%	0.556	S	S	*	*	H	α-helix	trans	-65	-44.2	175.6	-75	175.4	-178.8	-178.4	0	111.7	A130 E131 E132 K136 A137 E138	A130-K134 WeakPolarHBondContact O-CG 3.4Å; A130-K134 PolarHBondContact O-N 3.39Å; E131-K134 WeakPolarHBondContact O-CB 3.45Å; E131-K134 PolarHBondContact O-N 2.86Å; E131-K134 VanDerWaalsContact O-N 3.15Å; E132-K134 VanDerWaalsContact C-N 3.33Å; E132-K134 PolarHBondContact O-N 2.96Å; K134-K136 PolarHBondContact O-N 3.03Å; K134-A137 PolarHBondContact O-N 2.97Å; K134-E138 WeakPolarHBondContact O-CB 3.39Å; K134-E138 PolarHBondContact O-N 2.87Å
135	A	93.6	Very high	93.4	Very high	58 Å²	58	121 Å²	121	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-60.6	-45.7	177.5	0	0	0	0	0	111.6	E131 E132 E138 E139	E131-A135 PolarHBondContact O-N 3.45Å; E132-A135 PolarHBondContact O-N 3.24Å; A135-E138 PolarHBondContact O-N 2.67Å; A135-E139 PolarHBondContact O-N 2.99Å
136	K	93.8	Very high	93.4	Very high	121 Å²	121	118.5 Å²	118.5	53%	0.526	57%	0.565	S	S	.	*	H	α-helix	trans	-60.4	-46	174.9	-77.1	173.4	170.8	168.9	0	112.4	E132 K134 E138 E139 E140	E132-K136 HydrophobicContact CG-CD 4.44Å; E132-K136 WeakPolarHBondContact O-CB 3.18Å; E132-K136 WeakPolarHBondContact O-CG 3.41Å; E132-K136 PolarHBondContact O-N 3.16Å; E132-K136 VanDerWaalsContact OE1-CE 3.29Å; E132-K136 WeakPolarHBondContact OE1-CE 3.41Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 2.96Å; K134-K136 PolarHBondContact O-N 3.03Å; K136-E138 VanDerWaalsContact C-N 3.32Å; K136-E138 PolarHBondContact O-N 3.43Å; K136-E139 PolarHBondContact O-N 3.4Å; K136-E140 PolarHBondContact O-N 3.3Å
137	A	93.6	Very high	93.2	Very high	57 Å²	57	117.4 Å²	117.4	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-37.5	177.7	0	0	0	0	0	112.4	K133 K134 A141	K133-A137 WeakPolarHBondContact O-CB 3.42Å; K133-A137 PolarHBondContact O-N 3.45Å; K134-A137 PolarHBondContact O-N 2.97Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.43Å
138	E	93.4	Very high	93	Very high	113 Å²	113	115.4 Å²	115.4	53%	0.528	56%	0.558	S	S	.	*	H	α-helix	trans	-67.9	-40.9	175.7	-170.9	-176.5	135.9	0	0	111.9	K134 A135 K136 A141 K142	K134-E138 WeakPolarHBondContact O-CB 3.39Å; K134-E138 PolarHBondContact O-N 2.87Å; A135-E138 PolarHBondContact O-N 2.67Å; K136-E138 VanDerWaalsContact C-N 3.32Å; K136-E138 PolarHBondContact O-N 3.43Å; E138-A141 PolarHBondContact O-N 3.28Å; E138-K142 HydrophobicContact CG-CD 4.5Å; E138-K142 WeakPolarHBondContact O-CG 3.3Å; E138-K142 PolarHBondContact O-N 3.4Å; E138-K142 WeakPolarHBondContact OE1-CE 3.46Å; E138-K142 IonicContact OE1-NZ 2.63Å; E138-K142 PolarHBondContact OE1-NZ 2.88Å
139	E	90.6	Very high	93	Very high	140 Å²	140	112.9 Å²	112.9	65%	0.654	55%	0.553	S	S	*	*	H	α-helix	trans	-62.6	-46.5	175.2	-167.4	-171	167.4	0	0	111.5	A135 K136 A141 K142 A143	A135-E139 PolarHBondContact O-N 2.99Å; K136-E139 PolarHBondContact O-N 3.4Å; E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.01Å; E139-K142 WeakPolarHBondContact O-CB 3.41Å; E139-K142 PolarHBondContact O-N 3.01Å; E139-A143 PolarHBondContact O-N 3.32Å
140	E	91.2	Very high	92.9	Very high	143 Å²	143	116 Å²	116	67%	0.668	56%	0.56	S	S	*	*	H	α-helix	trans	-61.3	-42.4	176.1	-170.1	-175.5	158.2	0	0	111.5	K136 K142 A143 R144	K136-E140 PolarHBondContact O-N 3.3Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 PolarHBondContact O-N 3.42Å; E140-A143 PolarHBondContact O-N 3.23Å; E140-R144 WeakPolarHBondContact O-CB 3.31Å; E140-R144 PolarHBondContact O-N 3.08Å
141	A	92.1	Very high	92.8	Very high	59 Å²	59	119 Å²	119	49%	0.488	57%	0.566	S	S	.	*	H	α-helix	trans	-62.5	-40.1	175.7	0	0	0	0	0	112.2	A137 E138 E139 R145	A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.43Å; E138-A141 PolarHBondContact O-N 3.28Å; E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.01Å; A141-R145 WeakPolarHBondContact O-CB 3.5Å; A141-R145 PolarHBondContact O-N 3.48Å
142	K	93.7	Very high	92.8	Very high	115 Å²	115	119 Å²	119	50%	0.5	56%	0.564	S	S	.	*	H	α-helix	trans	-64.2	-45.2	174	-75	171.8	-175.7	167.2	0	111.2	E138 E139 E140 R144 R145 I146	E138-K142 HydrophobicContact CG-CD 4.5Å; E138-K142 WeakPolarHBondContact O-CG 3.3Å; E138-K142 PolarHBondContact O-N 3.4Å; E138-K142 WeakPolarHBondContact OE1-CE 3.46Å; E138-K142 IonicContact OE1-NZ 2.63Å; E138-K142 PolarHBondContact OE1-NZ 2.88Å; E139-K142 WeakPolarHBondContact O-CB 3.41Å; E139-K142 PolarHBondContact O-N 3.01Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 PolarHBondContact O-N 3.42Å; K142-R144 PolarHBondContact O-N 3.36Å; K142-R145 PolarHBondContact O-N 2.96Å; K142-I146 WeakPolarHBondContact O-CG1 3.4Å; K142-I146 PolarHBondContact O-N 2.89Å
143	A	92.8	Very high	92.7	Very high	57 Å²	57	122.1 Å²	122.1	47%	0.471	57%	0.571	S	S	.	*	H	α-helix	trans	-59.2	-47.6	177.3	0	0	0	0	0	111.3	E139 E140 R145 I146 E147	E139-A143 PolarHBondContact O-N 3.32Å; E140-A143 PolarHBondContact O-N 3.23Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 PolarHBondContact O-N 2.94Å; A143-I146 PolarHBondContact O-N 3.35Å; A143-I146 VanDerWaalsContact O-N 3.17Å; A143-E147 PolarHBondContact O-N 3.33Å
144	R	92.6	Very high	92.6	Very high	181 Å²	181	121.3 Å²	121.3	68%	0.683	57%	0.569	S	S	*	*	H	α-helix	trans	-60.3	-40.2	176.8	-168.3	-179.9	179.3	-156.5	-1.1	112.2	E140 K142 I146 E147 E148	E140-R144 WeakPolarHBondContact O-CB 3.31Å; E140-R144 PolarHBondContact O-N 3.08Å; K142-R144 PolarHBondContact O-N 3.36Å; R144-I146 VanDerWaalsContact C-N 3.34Å; R144-I146 PolarHBondContact O-N 2.96Å; R144-E147 PolarHBondContact O-N 2.96Å; R144-E148 WeakPolarHBondContact O-CB 3.4Å; R144-E148 PolarHBondContact O-N 3.4Å
145	R	93.1	Very high	92.4	Very high	183 Å²	183	119 Å²	119	69%	0.691	56%	0.564	S	S	*	*	H	α-helix	trans	-64.8	-37.2	177.3	-167.4	176.1	-174.1	175.9	1.6	112.5	A141 K142 A143 Q149	A141-R145 WeakPolarHBondContact O-CB 3.5Å; A141-R145 PolarHBondContact O-N 3.48Å; K142-R145 PolarHBondContact O-N 2.96Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 PolarHBondContact O-N 2.94Å; R145-Q149 WeakPolarHBondContact O-CG 3.4Å; R145-Q149 PolarHBondContact O-N 2.96Å
146	I	93.6	Very high	92.2	Very high	96 Å²	96	122.1 Å²	122.1	49%	0.492	57%	0.569	S	S	.	*	H	α-helix	trans	-67.5	-43.2	175.6	-67.1	166.2	0	0	0	110.3	K142 A143 R144 Q149 R150	K142-I146 WeakPolarHBondContact O-CG1 3.4Å; K142-I146 PolarHBondContact O-N 2.89Å; A143-I146 PolarHBondContact O-N 3.35Å; A143-I146 VanDerWaalsContact O-N 3.17Å; R144-I146 VanDerWaalsContact C-N 3.34Å; R144-I146 PolarHBondContact O-N 2.96Å; I146-Q149 PolarHBondContact O-N 3.48Å; I146-R150 WeakPolarHBondContact O-CG 3.33Å; I146-R150 PolarHBondContact O-N 3.11Å
147	E	90.8	Very high	91.8	Very high	115 Å²	115	122.7 Å²	122.7	54%	0.537	57%	0.573	S	S	.	*	H	α-helix	trans	-62.5	-45.8	176.6	-170.3	-178.8	-175.4	0	0	111.9	A143 R144 Q149 R150 Q151	A143-E147 PolarHBondContact O-N 3.33Å; R144-E147 PolarHBondContact O-N 2.96Å; E147-Q149 VanDerWaalsContact C-N 3.32Å; E147-Q149 PolarHBondContact O-N 3.4Å; E147-R150 WeakPolarHBondContact O-CB 3.25Å; E147-R150 PolarHBondContact O-N 3.35Å; E147-R150 VanDerWaalsContact O-N 3.08Å; E147-Q151 PolarHBondContact O-N 3.48Å
148	E	91.6	Very high	91.6	Very high	123 Å²	123	124.5 Å²	124.5	58%	0.575	57%	0.572	S	S	*	*	H	α-helix	trans	-59.6	-42.3	176.4	-170.2	-172.1	128.4	0	0	111.6	R144 R150 Q151 K152	R144-E148 WeakPolarHBondContact O-CB 3.4Å; R144-E148 PolarHBondContact O-N 3.4Å; E148-R150 VanDerWaalsContact C-N 3.33Å; E148-R150 PolarHBondContact O-N 3.32Å; E148-Q151 PolarHBondContact O-N 2.85Å; E148-K152 WeakPolarHBondContact O-CB 3.37Å; E148-K152 PolarHBondContact O-N 3.33Å
149	Q	93	Very high	91.2	Very high	108 Å²	108	128 Å²	128	51%	0.505	58%	0.58	S	S	.	*	H	α-helix	trans	-62.6	-38.7	174.4	-80.4	-159.9	-8.3	0	0	112.6	R145 I146 E147 K152 R153	R145-Q149 WeakPolarHBondContact O-CG 3.4Å; R145-Q149 PolarHBondContact O-N 2.96Å; I146-Q149 PolarHBondContact O-N 3.48Å; E147-Q149 VanDerWaalsContact C-N 3.32Å; E147-Q149 PolarHBondContact O-N 3.4Å; Q149-K152 PolarHBondContact O-N 2.92Å; Q149-R153 WeakPolarHBondContact O-CG 3.48Å; Q149-R153 PolarHBondContact O-N 2.96Å
150	R	93.4	Very high	90.9	Very high	178 Å²	178	124.2 Å²	124.2	67%	0.672	57%	0.569	S	S	*	*	H	α-helix	trans	-65.1	-45.6	175.8	-74.1	179.2	177.3	-173.7	0.2	111.4	I146 E147 E148 K152 R153 Q154	I146-R150 WeakPolarHBondContact O-CG 3.33Å; I146-R150 PolarHBondContact O-N 3.11Å; E147-R150 WeakPolarHBondContact O-CB 3.25Å; E147-R150 PolarHBondContact O-N 3.35Å; E147-R150 VanDerWaalsContact O-N 3.08Å; E148-R150 VanDerWaalsContact C-N 3.33Å; E148-R150 PolarHBondContact O-N 3.32Å; R150-K152 VanDerWaalsContact C-N 3.32Å; R150-K152 PolarHBondContact O-N 2.69Å; R150-R153 PolarHBondContact O-N 3.15Å; R150-Q154 WeakPolarHBondContact O-CG 3.41Å; R150-Q154 PolarHBondContact O-N 3.42Å
151	Q	91.8	Very high	90.5	Very high	106 Å²	106	123.5 Å²	123.5	50%	0.495	57%	0.566	S	S	.	*	H	α-helix	trans	-60.7	-43	175.8	-70.4	-173.6	5.4	0	0	111.5	E147 E148 R153 Q154 L155	E147-Q151 PolarHBondContact O-N 3.48Å; E148-Q151 PolarHBondContact O-N 2.85Å; Q151-R153 PolarHBondContact O-N 2.89Å; Q151-Q154 PolarHBondContact O-N 3.35Å; Q151-L155 WeakPolarHBondContact O-CG 3.39Å; Q151-L155 PolarHBondContact O-N 3.3Å
152	K	92.8	Very high	90.1	Very high	145 Å²	145	128.8 Å²	128.8	63%	0.63	57%	0.573	S	S	*	*	H	α-helix	trans	-61.3	-43.6	176.5	-170.4	177.1	179	-177.5	0	112	E148 Q149 R150 L155 E156	E148-K152 WeakPolarHBondContact O-CB 3.37Å; E148-K152 PolarHBondContact O-N 3.33Å; Q149-K152 PolarHBondContact O-N 2.92Å; R150-K152 VanDerWaalsContact C-N 3.32Å; R150-K152 PolarHBondContact O-N 2.69Å; K152-L155 PolarHBondContact O-N 3.29Å; K152-E156 WeakPolarHBondContact O-CB 3.42Å; K152-E156 PolarHBondContact O-N 3.43Å
153	R	92.1	Very high	89.4	Confident	172 Å²	172	129.3 Å²	129.3	65%	0.649	58%	0.578	S	S	*	*	H	α-helix	trans	-61.3	-43.3	175	-75.9	-177.3	-173.4	-157.3	2.5	112.2	Q149 R150 Q151 L155 E156 E157	Q149-R153 WeakPolarHBondContact O-CG 3.48Å; Q149-R153 PolarHBondContact O-N 2.96Å; R150-R153 PolarHBondContact O-N 3.15Å; Q151-R153 PolarHBondContact O-N 2.89Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 2.91Å; R153-E156 PolarHBondContact O-N 2.88Å; R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 PolarHBondContact O-N 3.01Å
154	Q	91.7	Very high	88.6	Confident	123 Å²	123	131.4 Å²	131.4	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-62.8	-40.1	176.4	-73.2	-176.2	-20.8	0	0	112.3	R150 Q151 E157 Q158	R150-Q154 WeakPolarHBondContact O-CG 3.41Å; R150-Q154 PolarHBondContact O-N 3.42Å; Q151-Q154 PolarHBondContact O-N 3.35Å; Q154-E157 PolarHBondContact O-N 3.1Å; Q154-Q158 WeakPolarHBondContact O-CG 3.46Å; Q154-Q158 PolarHBondContact O-N 3.22Å
155	L	89.5	Confident	87.7	Confident	105 Å²	105	125.8 Å²	125.8	55%	0.55	57%	0.57	S	S	.	*	H	α-helix	trans	-67.9	-37.2	175.5	-71.8	173.4	0	0	0	112.3	Q151 K152 R153 R159	Q151-L155 WeakPolarHBondContact O-CG 3.39Å; Q151-L155 PolarHBondContact O-N 3.3Å; K152-L155 PolarHBondContact O-N 3.29Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 2.91Å; L155-R159 WeakPolarHBondContact O-CB 3.46Å; L155-R159 VanDerWaalsContact O-CG 3.3Å; L155-R159 WeakPolarHBondContact O-CG 3.43Å; L155-R159 PolarHBondContact O-N 3.5Å
156	E	88.3	Confident	86.7	Confident	125 Å²	125	124 Å²	124	58%	0.584	57%	0.567	S	S	*	*	H	α-helix	trans	-65.8	-44.1	174.5	-172.1	171.1	-171	0	0	111.1	K152 R153 R159 S160	K152-E156 WeakPolarHBondContact O-CB 3.42Å; K152-E156 PolarHBondContact O-N 3.43Å; R153-E156 PolarHBondContact O-N 2.88Å; E156-R159 CarbonylContact O-C 3.6Å; E156-R159 WeakPolarHBondContact O-CB 3.41Å; E156-R159 PolarHBondContact O-N 3.04Å; E156-R159 VanDerWaalsContact O-N 3.13Å; E156-S160 PolarHBondContact O-N 3.24Å; E156-S160 PolarHBondContact O-OG 3.5Å
157	E	86	Confident	85.5	Confident	133 Å²	133	124.3 Å²	124.3	62%	0.621	57%	0.57	S	S	*	*	H	α-helix	trans	-61.4	-46.3	176.1	-168.7	174.3	173	0	0	111.6	R153 Q154 R159 S160 E161	R153-E157 WeakPolarHBondContact O-CB 3.47Å; R153-E157 PolarHBondContact O-N 3.01Å; Q154-E157 PolarHBondContact O-N 3.1Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 2.95Å; E157-S160 VanDerWaalsContact CA-OG 3.29Å; E157-S160 WeakPolarHBondContact CA-OG 3.27Å; E157-S160 PolarHBondContact O-N 3.31Å; E157-S160 PolarHBondContact O-OG 3.21Å; E157-E161 WeakPolarHBondContact O-CB 3.27Å; E157-E161 PolarHBondContact O-N 3.42Å
158	Q	88.8	Confident	84	Confident	95 Å²	95	125.5 Å²	125.5	44%	0.444	57%	0.573	S	S	.	*	H	α-helix	trans	-63	-34.8	173.4	-75.4	-171.7	29.1	0	0	112.8	Q154 R162	Q154-Q158 WeakPolarHBondContact O-CG 3.46Å; Q154-Q158 PolarHBondContact O-N 3.22Å; Q158-R162 WeakPolarHBondContact O-CB 3.45Å; Q158-R162 VanDerWaalsContact O-CG 3.26Å; Q158-R162 WeakPolarHBondContact O-CG 3.37Å; Q158-R162 PolarHBondContact O-N 3.01Å
159	R	86.3	Confident	82.3	Confident	187 Å²	187	122 Å²	122	71%	0.706	57%	0.57	S	S	*	*	H	α-helix	trans	-68.5	-44.2	175	-81.6	-179.3	178.5	-155.4	1.2	111.2	L155 E156 E157 R162 Q163	L155-R159 WeakPolarHBondContact O-CB 3.46Å; L155-R159 VanDerWaalsContact O-CG 3.3Å; L155-R159 WeakPolarHBondContact O-CG 3.43Å; L155-R159 PolarHBondContact O-N 3.5Å; E156-R159 CarbonylContact O-C 3.6Å; E156-R159 WeakPolarHBondContact O-CB 3.41Å; E156-R159 PolarHBondContact O-N 3.04Å; E156-R159 VanDerWaalsContact O-N 3.13Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 2.95Å; R159-R162 PolarHBondContact O-N 3.46Å; R159-Q163 WeakPolarHBondContact O-CG 3.37Å; R159-Q163 PolarHBondContact O-N 2.88Å
160	S	84.4	Confident	80.1	Confident	60 Å²	60	122.5 Å²	122.5	42%	0.42	57%	0.573	S	S	.	*	H	α-helix	trans	-64.2	-41.5	176.2	51.5	0	0	0	0	111.7	E156 E157 R162 Q163 E164	E156-S160 PolarHBondContact O-N 3.24Å; E156-S160 PolarHBondContact O-OG 3.5Å; E157-S160 VanDerWaalsContact CA-OG 3.29Å; E157-S160 WeakPolarHBondContact CA-OG 3.27Å; E157-S160 PolarHBondContact O-N 3.31Å; E157-S160 PolarHBondContact O-OG 3.21Å; S160-R162 PolarHBondContact O-N 3.49Å; S160-Q163 PolarHBondContact O-N 3.38Å; S160-E164 WeakPolarHBondContact O-CB 3.36Å; S160-E164 PolarHBondContact O-N 3.06Å
161	E	82.9	Confident	77.7	Confident	128 Å²	128	123.4 Å²	123.4	60%	0.598	58%	0.581	S	S	*	*	H	α-helix	trans	-63.1	-42.8	176.7	-173.5	-177.2	-168.8	0	0	111.2	E157 Q163 E164 A165	E157-E161 WeakPolarHBondContact O-CB 3.27Å; E157-E161 PolarHBondContact O-N 3.42Å; E161-Q163 PolarHBondContact O-N 2.93Å; E161-E164 PolarHBondContact O-N 2.9Å; E161-A165 VanDerWaalsContact O-CB 3.29Å; E161-A165 WeakPolarHBondContact O-CB 3.24Å; E161-A165 PolarHBondContact O-N 2.86Å
162	R	82.6	Confident	75.5	Confident	170 Å²	170	121.9 Å²	121.9	64%	0.642	59%	0.594	S	S	*	*	H	α-helix	trans	-64.9	-36.4	174	-76.2	179.3	-175.8	-165.8	3.5	112.9	Q158 R159 S160 K166	Q158-R162 WeakPolarHBondContact O-CB 3.45Å; Q158-R162 VanDerWaalsContact O-CG 3.26Å; Q158-R162 WeakPolarHBondContact O-CG 3.37Å; Q158-R162 PolarHBondContact O-N 3.01Å; R159-R162 PolarHBondContact O-N 3.46Å; S160-R162 PolarHBondContact O-N 3.49Å; R162-K166 VanDerWaalsContact O-CG 3.25Å; R162-K166 WeakPolarHBondContact O-CG 3.49Å; R162-K166 PolarHBondContact O-N 3.44Å; R162-K166 VanDerWaalsContact O-N 3.13Å
163	Q	80.3	Confident	73.1	Confident	126 Å²	126	118.2 Å²	118.2	59%	0.589	59%	0.591	S	S	*	*	H	α-helix	trans	-69.5	-45	175.1	-78.4	-177.8	-51.8	0	0	111	R159 S160 E161 A165 K166 D167	R159-Q163 WeakPolarHBondContact O-CG 3.37Å; R159-Q163 PolarHBondContact O-N 2.88Å; S160-Q163 PolarHBondContact O-N 3.38Å; E161-Q163 PolarHBondContact O-N 2.93Å; Q163-A165 VanDerWaalsContact C-N 3.32Å; Q163-A165 PolarHBondContact O-N 3.49Å; Q163-K166 CarbonylContact O-C 3.49Å; Q163-K166 WeakPolarHBondContact O-CA 3.28Å; Q163-K166 WeakPolarHBondContact O-CB 3.46Å; Q163-K166 PolarHBondContact O-N 3Å; Q163-D167 PolarHBondContact O-N 2.99Å
164	E	74.8	Confident	70.7	Confident	100 Å²	100	118.1 Å²	118.1	47%	0.467	60%	0.598	S	S	.	*	H	α-helix	trans	-63.7	-37.4	177.6	-165.5	-174.8	163.4	0	0	111.9	S160 E161 K166 D167 K168	S160-E164 WeakPolarHBondContact O-CB 3.36Å; S160-E164 PolarHBondContact O-N 3.06Å; E161-E164 PolarHBondContact O-N 2.9Å; E164-K166 VanDerWaalsContact C-N 3.32Å; E164-D167 PolarHBondContact O-N 3.05Å; E164-K168 HydrophobicContact CG-CD 4.42Å; E164-K168 WeakPolarHBondContact O-CB 3.36Å; E164-K168 WeakPolarHBondContact O-CG 3.21Å; E164-K168 PolarHBondContact O-N 2.75Å; E164-K168 WeakPolarHBondContact OE1-CE 3.4Å; E164-K168 IonicContact OE1-NZ 3.3Å; E164-K168 PolarHBondContact OE1-NZ 3.48Å
165	A	73.4	Confident	68.5	Low	64 Å²	64	124.1 Å²	124.1	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-64.3	-36.2	171.8	0	0	0	0	0	112.4	E161 Q163 G169	E161-A165 VanDerWaalsContact O-CB 3.29Å; E161-A165 WeakPolarHBondContact O-CB 3.24Å; E161-A165 PolarHBondContact O-N 2.86Å; Q163-A165 VanDerWaalsContact C-N 3.32Å; Q163-A165 PolarHBondContact O-N 3.49Å; A165-G169 PolarHBondContact O-N 3.41Å
166	K	73.7	Confident	66.6	Low	146 Å²	146	123 Å²	123	64%	0.635	62%	0.621	S	S	*	*	H	α-helix	trans	-68.7	-45.5	173.5	-74.2	172.5	-179.3	-170.5	0	111.6	R162 Q163 E164 K168 G169 E170	R162-K166 VanDerWaalsContact O-CG 3.25Å; R162-K166 WeakPolarHBondContact O-CG 3.49Å; R162-K166 PolarHBondContact O-N 3.44Å; R162-K166 VanDerWaalsContact O-N 3.13Å; Q163-K166 CarbonylContact O-C 3.49Å; Q163-K166 WeakPolarHBondContact O-CA 3.28Å; Q163-K166 WeakPolarHBondContact O-CB 3.46Å; Q163-K166 PolarHBondContact O-N 3Å; E164-K166 VanDerWaalsContact C-N 3.32Å; K166-K168 VanDerWaalsContact C-N 3.3Å; K166-K168 PolarHBondContact O-N 2.97Å; K166-G169 CarbonylContact O-C 3.56Å; K166-G169 WeakPolarHBondContact O-CA 3.45Å; K166-G169 PolarHBondContact O-N 2.68Å; K166-G169 VanDerWaalsContact O-N 3.08Å; K166-E170 VanDerWaalsContact O-CB 3.29Å; K166-E170 WeakPolarHBondContact O-CB 3.49Å; K166-E170 PolarHBondContact O-N 2.93Å
167	D	67.4	Low	64.4	Low	102 Å²	102	124.3 Å²	124.3	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-64.4	-34.4	178.7	-67.4	-34.1	0	0	0	112.1	Q163 E164 K171	Q163-D167 PolarHBondContact O-N 2.99Å; E164-D167 PolarHBondContact O-N 3.05Å; D167-K171 PolarHBondContact O-N 2.82Å
168	K	60.1	Low	62.4	Low	140 Å²	140	129.4 Å²	129.4	61%	0.609	65%	0.645	S	S	*	*	H	α-helix	trans	-74.4	-30.2	172.6	-71.3	176.6	-174.3	169	0	112.9	E164 K166	E164-K168 HydrophobicContact CG-CD 4.42Å; E164-K168 WeakPolarHBondContact O-CB 3.36Å; E164-K168 WeakPolarHBondContact O-CG 3.21Å; E164-K168 PolarHBondContact O-N 2.75Å; E164-K168 WeakPolarHBondContact OE1-CE 3.4Å; E164-K168 IonicContact OE1-NZ 3.3Å; E164-K168 PolarHBondContact OE1-NZ 3.48Å; K166-K168 VanDerWaalsContact C-N 3.3Å; K166-K168 PolarHBondContact O-N 2.97Å
169	G	55.4	Low	60.5	Low	50 Å²	50	134.6 Å²	134.6	52%	0.515	67%	0.667	S	S	.	*	H	α-helix	trans	-74.6	-31.5	170.6	0	0	0	0	0	113.4	A165 K166 K171 G172	A165-G169 PolarHBondContact O-N 3.41Å; K166-G169 CarbonylContact O-C 3.56Å; K166-G169 WeakPolarHBondContact O-CA 3.45Å; K166-G169 PolarHBondContact O-N 2.68Å; K166-G169 VanDerWaalsContact O-N 3.08Å; G169-K171 VanDerWaalsContact C-N 3.33Å; G169-K171 PolarHBondContact O-N 2.75Å; G169-G172 PolarHBondContact O-N 2.79Å; G169-G172 VanDerWaalsContact O-N 3.07Å
170	E	46.7	Very low	58.3	Low	118 Å²	118	128.8 Å²	128.8	55%	0.551	67%	0.665	S	S	*	*	H	α-helix	trans	-75.2	-20.5	-178.5	-168	168.9	136.2	0	0	112.6	K166 G172 A173	K166-E170 VanDerWaalsContact O-CB 3.29Å; K166-E170 WeakPolarHBondContact O-CB 3.49Å; K166-E170 PolarHBondContact O-N 2.93Å; E170-G172 PolarHBondContact O-N 3.16Å; E170-A173 PolarHBondContact O-N 3.33Å; E170-A173 VanDerWaalsContact O-N 3.1Å
171	K	42.6	Very low	56	Low	196 Å²	196	133.3 Å²	133.3	85%	0.852	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-7.8	164.3	-78.7	-172.2	177.2	178.4	0	114	D167 G169	D167-K171 PolarHBondContact O-N 2.82Å; G169-K171 VanDerWaalsContact C-N 3.33Å; G169-K171 PolarHBondContact O-N 2.75Å
172	G	45.8	Very low	53.6	Low	74 Å²	74	133.6 Å²	133.6	76%	0.763	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-5.5	172.6	0	0	0	0	0	116.1	G169 E170	G169-G172 PolarHBondContact O-N 2.79Å; G169-G172 VanDerWaalsContact O-N 3.07Å; E170-G172 PolarHBondContact O-N 3.16Å
173	A	41.8	Very low	51.3	Low	69 Å²	69	128.9 Å²	128.9	57%	0.57	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	5.7	-168.4	0	0	0	0	0	115.6	E170 R175	E170-A173 PolarHBondContact O-N 3.33Å; E170-A173 VanDerWaalsContact O-N 3.1Å; A173-R175 VanDerWaalsContact C-N 3.26Å; A173-R175 PolarHBondContact O-N 2.72Å
174	E	42.7	Very low	49.2	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.794	71%	0.712	S	S	*	*			trans	-84	57.9	176	-159.8	-171.9	121.4	0	0	112.5
175	R	44.8	Very low	47.7	Very low	249 Å²	249	136 Å²	136	94%	0.94	72%	0.722	S	S	*	*	S	Bend	trans	-153.7	50.4	160.5	-74	-154.7	-178.2	-173	2.1	113.4	A173	A173-R175 VanDerWaalsContact C-N 3.26Å; A173-R175 PolarHBondContact O-N 2.72Å
176	A	50.3	Low	46.3	Very low	80 Å²	80	136.6 Å²	136.6	66%	0.661	73%	0.727	S	S	*	*			trans	-177.1	115	155.8	0	0	0	0	0	104.9
177	D	40.9	Very low	44.6	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	74%	0.739	S	S	*	*				-167.1	124.3	61	-127.8	-75.9	0	0	0	108.6
178	R	44.1	Very low	43.3	Very low	240 Å²	240	140.3 Å²	140.3	91%	0.906	75%	0.748	S	S	*	*			trans	-107.9	92.5	170.5	-174.8	-170.8	-158.4	-172.1	7.8	106.7
179	K	48.7	Very low	42.8	Very low	205 Å²	205	140.6 Å²	140.6	89%	0.891	76%	0.756	S	S	*	*			trans	169.7	127	145.4	-98.4	157.9	177	-170.3	0	112.5
180	G	40.2	Very low	42.5	Very low	65 Å²	65	149.3 Å²	149.3	67%	0.67	77%	0.773	S	S	*	*			trans	144.7	67.6	167.2	0	0	0	0	0	110.8
181	L	36.2	Very low	42.5	Very low	154 Å²	154	151.2 Å²	151.2	81%	0.806	79%	0.786	S	S	*	*				71.3	112.9	96.1	-73.3	167	0	0	0	114.2
182	T	33.6	Very low	42.6	Very low	135 Å²	135	150.7 Å²	150.7	83%	0.828	79%	0.787	S	S	*	*			trans	59.2	121.1	138.3	59.3	0	0	0	0	117.4
183	G	34.3	Very low	42.5	Very low	71 Å²	71	153.4 Å²	153.4	73%	0.732	79%	0.789	S	S	*	*			cis	122.8	130.3	34.5	0	0	0	0	0	108.3
184	R	36.2	Very low	42.7	Very low	230 Å²	230	154.8 Å²	154.8	87%	0.868	80%	0.801	S	S	*	*			trans	68.8	145.2	170.7	-89.2	177.5	146.8	168.7	-6.9	116.4
185	E	42.1	Very low	42.9	Very low	145 Å²	145	152 Å²	152	68%	0.678	80%	0.795	S	S	*	*			cis	-172.8	148.7	-0.5	-153.5	166.2	135.8	0	0	105.8
186	A	44.8	Very low	42.9	Very low	77 Å²	77	146 Å²	146	64%	0.636	79%	0.788	S	S	*	*			trans	21	123.2	154.6	0	0	0	0	0	122.5
187	Q	37.7	Very low	43.2	Very low	188 Å²	188	151.6 Å²	151.6	88%	0.879	80%	0.797	S	S	*	*				-171.7	98	122.2	-106.9	177.1	54.8	0	0	108
188	D	39.9	Very low	43.6	Very low	137 Å²	137	150.9 Å²	150.9	73%	0.733	80%	0.799	S	S	*	*				61.7	91.3	93.1	-83.7	-65.5	0	0	0	114.6
189	D	49.6	Very low	43.5	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	80%	0.799	S	S	*	*				30.3	95.3	121.3	-123.6	-43.8	0	0	0	117.4
190	R	49.3	Very low	43.2	Very low	234 Å²	234	147.9 Å²	147.9	88%	0.883	80%	0.798	S	S	*	*			trans	-138.6	49.5	164.1	-89.7	-165.8	-176.7	-175.7	3.1	112.5
191	L	47.4	Very low	43.1	Very low	157 Å²	157	152.9 Å²	152.9	82%	0.822	80%	0.801	S	S	*	*			trans	-105.5	91.4	156.7	-65.5	179.5	0	0	0	107.7	T193	L191-T193 PolarHBondContact O-N 3Å; L191-T193 VanDerWaalsContact O-N 3.16Å
192	Q	44.8	Very low	43.2	Very low	186 Å²	186	152.3 Å²	152.3	87%	0.869	80%	0.795	S	S	*	*			trans	-58.1	117.1	179.4	-71.7	-172.3	-41.2	0	0	111	A194	Q192-A194 PolarHBondContact O-N 2.92Å
193	T	43.3	Very low	43.4	Very low	130 Å²	130	154.4 Å²	154.4	80%	0.798	80%	0.795	S	S	*	*			trans	-71.7	99.9	159.3	41.2	0	0	0	0	109.1	L191 V195	L191-T193 PolarHBondContact O-N 3Å; L191-T193 VanDerWaalsContact O-N 3.16Å; T193-V195 PolarHBondContact O-N 2.81Å
194	A	44.9	Very low	43.7	Very low	99 Å²	99	154.3 Å²	154.3	82%	0.818	79%	0.794	S	S	*	*			trans	-93	95.3	165.1	0	0	0	0	0	109.4	Q192	Q192-A194 PolarHBondContact O-N 2.92Å
195	V	47.8	Very low	44.1	Very low	112 Å²	112	153.8 Å²	153.8	68%	0.679	80%	0.798	S	S	*	*			trans	-57.6	131.1	168.9	175.5	0	0	0	0	110.7	T193 K197	T193-V195 PolarHBondContact O-N 2.81Å; V195-K197 PolarHBondContact O-N 3.16Å
196	P	45.7	Very low	43.9	Very low	122 Å²	122	150.3 Å²	150.3	79%	0.792	80%	0.801	S	S	*	*			trans	-75.4	109.3	158.8	28.9	-28.5	0	0	0	108.8	T198	P196-T198 PolarHBondContact O-N 2.91Å
197	K	55.4	Low	44.2	Very low	197 Å²	197	153.6 Å²	153.6	86%	0.857	81%	0.813	S	S	*	*			trans	-70.1	120.6	168.4	-85	178.6	173.3	176.4	0	109.4	V195	V195-K197 PolarHBondContact O-N 3.16Å
198	T	49.3	Very low	44.7	Very low	139 Å²	139	154.2 Å²	154.2	85%	0.853	81%	0.812	S	S	*	*			trans	-69	131.6	153.2	36.7	0	0	0	0	109.1	P196	P196-T198 PolarHBondContact O-N 2.91Å
199	Q	42.3	Very low	44.9	Very low	193 Å²	193	151.1 Å²	151.1	90%	0.902	81%	0.813	S	S	*	*			trans	-136	103.5	153.5	-164	174.6	9.3	0	0	108.1
200	E	42.3	Very low	44.6	Very low	188 Å²	188	153.4 Å²	153.4	88%	0.879	82%	0.819	S	S	*	*			trans	-88.9	121.1	163.3	-174.9	-174.9	123.4	0	0	107.3
201	K	38.6	Very low	44.7	Very low	170 Å²	170	146.6 Å²	146.6	74%	0.739	81%	0.813	S	S	*	*			trans	177.6	107.7	143	-109	-166.4	163.6	-167.1	0	107.7
202	E	38.7	Very low	44.7	Very low	143 Å²	143	147.7 Å²	147.7	67%	0.668	81%	0.814	S	S	*	*				87.9	138.2	79.9	-159.4	-169.5	145	0	0	110.6
203	E	37.9	Very low	45	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	81%	0.812	S	S	*	*			trans	78.4	114.8	174.1	-45.7	-166.5	120.7	0	0	114.2
204	G	38.9	Very low	45	Very low	68 Å²	68	151.9 Å²	151.9	70%	0.701	82%	0.815	S	S	*	*			cis	111.6	126.6	41	0	0	0	0	0	107.8
205	K	45.3	Very low	45.3	Very low	220 Å²	220	153.2 Å²	153.2	96%	0.957	81%	0.813	S	S	*	*			trans	85.1	109.1	169.6	-49.2	179.5	-175.1	-173.4	0	116.1
206	G	37.9	Very low	45.4	Very low	72 Å²	72	152.4 Å²	152.4	74%	0.742	81%	0.812	S	S	*	*			trans	176.9	53.9	169.9	0	0	0	0	0	114.2	K208	G206-K208 PolarHBondContact O-N 2.99Å
207	V	50.8	Low	45.1	Very low	146 Å²	146	154.7 Å²	154.7	89%	0.885	81%	0.812	S	S	*	*			trans	-50.4	111.2	161.4	168.8	0	0	0	0	109.2
208	K	49	Very low	44.7	Very low	200 Å²	200	152 Å²	152	87%	0.87	81%	0.807	S	S	*	*			trans	-142.3	99	156.1	-70.4	-175.1	179.5	176.7	0	104.5	G206	G206-K208 PolarHBondContact O-N 2.99Å
209	G	44.2	Very low	44.5	Very low	72 Å²	72	151.1 Å²	151.1	74%	0.742	80%	0.798	S	S	*	*			cis	69.1	51.8	46.7	0	0	0	0	0	109.7
210	Q	43.2	Very low	45.1	Very low	194 Å²	194	150.8 Å²	150.8	91%	0.907	79%	0.793	S	S	*	*			trans	-103.5	93.1	156.3	-97	-169.3	-20.5	0	0	108.4	Q212	Q210-Q212 PolarHBondContact O-N 2.76Å
211	A	50.2	Low	45.6	Very low	92 Å²	92	147.9 Å²	147.9	76%	0.76	79%	0.79	S	S	*	*			trans	-59	107	160	0	0	0	0	0	109.1
212	Q	47.4	Very low	45.9	Very low	179 Å²	179	144.3 Å²	144.3	84%	0.836	79%	0.793	S	S	*	*			trans	-93.6	99.5	152.3	-169.4	167.2	-20.9	0	0	107.3	Q210 Q214	Q210-Q212 PolarHBondContact O-N 2.76Å; Q212-Q214 PolarHBondContact O-N 2.79Å
213	R	51.8	Low	46.4	Very low	223 Å²	223	147.7 Å²	147.7	84%	0.842	81%	0.806	S	S	*	*			trans	-52.8	114.9	167.3	-63.4	170.7	171.7	179.1	-4.7	108.9
214	Q	44.4	Very low	47.2	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	80%	0.802	S	S	*	*			trans	-126.7	111.5	142	-77.6	-167.5	-38.1	0	0	106.8	Q212	Q212-Q214 PolarHBondContact O-N 2.79Å
215	T	50.6	Low	47.9	Very low	126 Å²	126	157.5 Å²	157.5	77%	0.773	81%	0.814	S	S	*	*			trans	-68.4	142.1	-172.1	43	0	0	0	0	111.1	Q217	T215-Q217 PolarHBondContact O-N 2.76Å
216	S	49	Very low	48.3	Very low	96 Å²	96	154.7 Å²	154.7	67%	0.671	80%	0.804	S	S	*	*			trans	-27.7	122.7	164.1	-37.8	0	0	0	0	113.8	D218	S216-D218 WeakPolarHBondContact CB-OD2 3.48Å; S216-D218 PolarHBondContact O-N 2.89Å
217	Q	40.1	Very low	48.8	Very low	169 Å²	169	163.8 Å²	163.8	79%	0.79	83%	0.827	S	S	*	*			trans	-86.8	80	150.4	-164.8	179.4	-12.1	0	0	106.5	T215 D219	T215-Q217 PolarHBondContact O-N 2.76Å; Q217-D219 VanDerWaalsContact C-N 3.29Å; Q217-D219 HydrophobicContact CG-CB 4.36Å; Q217-D219 PolarHBondContact NE2-OD2 2.78Å; Q217-D219 VanDerWaalsContact NE2-OD2 3.15Å; Q217-D219 PolarHBondContact O-N 2.78Å; Q217-D219 VanDerWaalsContact O-N 3.08Å
218	D	46.1	Very low	48.7	Very low	141 Å²	141	164.7 Å²	164.7	75%	0.754	83%	0.825	S	S	*	*			trans	-66.3	91.2	159.7	-87.3	-80.2	0	0	0	107.6	S216	S216-D218 WeakPolarHBondContact CB-OD2 3.48Å; S216-D218 PolarHBondContact O-N 2.89Å
219	D	46.2	Very low	48.7	Very low	121 Å²	121	162.8 Å²	162.8	65%	0.647	82%	0.822	S	S	*	*			trans	-104.8	87.2	173.8	-141	-46.7	0	0	0	109.6	Q217	Q217-D219 VanDerWaalsContact C-N 3.29Å; Q217-D219 HydrophobicContact CG-CB 4.36Å; Q217-D219 PolarHBondContact NE2-OD2 2.78Å; Q217-D219 VanDerWaalsContact NE2-OD2 3.15Å; Q217-D219 PolarHBondContact O-N 2.78Å; Q217-D219 VanDerWaalsContact O-N 3.08Å
220	K	55.6	Low	49	Very low	186 Å²	186	167.9 Å²	167.9	81%	0.809	83%	0.827	S	S	*	*			trans	161.2	136.3	150.5	-88.1	159.9	-168.2	-175.9	0	108.3
221	P	51.3	Low	49.3	Very low	126 Å²	126	166.4 Å²	166.4	82%	0.818	82%	0.822	S	S	*	*				-150.4	145.9	58.8	36.9	-16.7	0	0	0	116.1
222	A	45.3	Very low	49.3	Very low	96 Å²	96	171 Å²	171	79%	0.793	83%	0.826	S	S	*	*			trans	-166.7	75.7	151.1	0	0	0	0	0	110.4
223	F	49.9	Very low	49.4	Very low	213 Å²	213	170.5 Å²	170.5	93%	0.934	83%	0.825	S	S	*	*			trans	-89.3	104.3	154.8	-148.7	-93.1	0	0	0	106.6
224	R	55.1	Low	49.2	Very low	203 Å²	203	166.7 Å²	166.7	77%	0.766	82%	0.824	S	S	*	*			trans	-63.6	131.9	168.7	-73.3	-167.5	175	-171.7	0.3	108.2	E226	R224-E226 PolarHBondContact O-N 3.5Å
225	R	52.5	Low	49.6	Very low	250 Å²	250	165.5 Å²	165.5	94%	0.943	82%	0.822	S	S	*	*			trans	-63.5	123	150.8	-91.6	-179.8	170.4	164.9	-3.5	107.1
226	E	54.7	Low	49.5	Very low	162 Å²	162	168.8 Å²	168.8	76%	0.757	83%	0.826	S	S	*	*			trans	-146.5	129.2	155.1	-155	163.4	101.4	0	0	106.9	R224	R224-E226 PolarHBondContact O-N 3.5Å
227	E	48.1	Very low	49.5	Very low	263 Å²	263	175.5 Å²	175.5	100%	1.229	84%	0.84	S	S	*	*			trans	67.3	0	175	-116.2	170.3	97.6	0	0	120.5

Retrieved 227 of 227 residues in 299.4 ms (Link to these results)

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