A0A3Q0KQ70_SCHMA Loading...

Stathmin

AlphaFold DB , UniProt , Accession A0A3Q0KQ70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 184 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	39.9	Very low	51	Low	254 Å²	254	137.4 Å²	137.4	100%	1.251	83%	0.834	S	S	*	*				0	128.8	0	-62.8	-151.4	-168.1	0	0	106.8
2	G	37.4	Very low	52.8	Low	75 Å²	75	139.7 Å²	139.7	77%	0.773	83%	0.825	S	S	*	*			cis	-178.3	141.8	3.9	0	0	0	0	0	105.2
3	S	41.7	Very low	54.6	Low	125 Å²	125	143.6 Å²	143.6	87%	0.874	83%	0.83	S	S	*	*			trans	-63.2	148	-168.1	-22.9	0	0	0	0	114.6
4	S	49.3	Very low	55.7	Low	118 Å²	118	142 Å²	142	83%	0.825	82%	0.815	S	S	*	*			trans	-166.2	104.9	144.8	51.8	0	0	0	0	106.4
5	G	49.4	Very low	56.4	Low	67 Å²	67	140.6 Å²	140.6	69%	0.691	81%	0.813	S	S	*	*			cis	90.3	81.1	45.2	0	0	0	0	0	107.3
6	L	54.3	Low	56.5	Low	179 Å²	179	141.3 Å²	141.3	94%	0.937	81%	0.811	S	S	*	*			trans	-130.3	103.8	164.2	-78.4	176.4	0	0	0	107.7
7	D	52.1	Low	56.5	Low	139 Å²	139	146.9 Å²	146.9	74%	0.743	82%	0.816	S	S	*	*			trans	-71.5	140	-179.4	-84.4	-33.9	0	0	0	112.4
8	F	49.9	Very low	56.2	Low	163 Å²	163	147.6 Å²	147.6	72%	0.715	82%	0.818	S	S	*	*			trans	41.2	123	140	-66.7	-89	0	0	0	121.5
9	N	55.5	Low	56	Low	161 Å²	161	148.6 Å²	148.6	86%	0.861	82%	0.816	S	S	*	*				-151.1	120.4	107.3	-103	-24.8	0	0	0	110.2
10	V	59.7	Low	55.7	Low	113 Å²	113	148.5 Å²	148.5	69%	0.685	82%	0.819	S	S	*	*			trans	-105	117.4	172.1	179.1	0	0	0	0	107
11	S	71.6	Confident	55.6	Low	117 Å²	117	149.3 Å²	149.3	82%	0.818	82%	0.817	S	S	*	*			trans	-111.2	134	169.5	-63.8	0	0	0	0	108.4
12	F	72.7	Confident	56	Low	165 Å²	165	142.1 Å²	142.1	72%	0.724	79%	0.792	S	S	*	*			trans	-125.8	143.3	173.5	52.4	-91.5	0	0	0	109.7	I14	F12-I14 HydrophobicContact CD2-CD1 4.41Å; F12-I14 HydrophobicContact CD2-CG1 3.94Å; F12-I14 HydrophobicContact CE2-CD1 3.99Å; F12-I14 HydrophobicContact CE2-CG1 4.03Å
13	E	76.4	Confident	56.8	Low	191 Å²	191	142 Å²	142	89%	0.893	78%	0.778	S	S	*	*			trans	-93	127.4	178.1	-170.5	173.7	-167.1	0	0	108.7
14	I	70.4	Confident	57.2	Low	121 Å²	121	146.9 Å²	146.9	62%	0.621	78%	0.777	S	S	*	*			trans	-103.9	115.6	178	-55.3	175.1	0	0	0	108.1	F12 I16	F12-I14 HydrophobicContact CD2-CD1 4.41Å; F12-I14 HydrophobicContact CD2-CG1 3.94Å; F12-I14 HydrophobicContact CE2-CD1 3.99Å; F12-I14 HydrophobicContact CE2-CG1 4.03Å; I14-I16 PolarHBondContact O-N 3.5Å
15	P	65.4	Low	57.3	Low	121 Å²	121	144.1 Å²	144.1	79%	0.786	76%	0.761	S	S	*	*			trans	-70.4	126.3	175.2	-10.5	25.3	0	0	0	110.3
16	I	58.1	Low	57.2	Low	152 Å²	152	146 Å²	146	78%	0.779	76%	0.755	S	S	*	*			trans	-99.2	113.2	174.4	-61	173.6	0	0	0	108.1	I14	I14-I16 PolarHBondContact O-N 3.5Å
17	R	56.2	Low	56.9	Low	237 Å²	237	147.3 Å²	147.3	89%	0.894	75%	0.747	S	S	*	*	S	Bend	trans	86.2	129.3	170.4	-66	177.6	-178.2	-152.5	-0.4	118.6	E19	R17-E19 PolarHBondContact O-N 3.15Å
18	D	51	Low	56.7	Low	159 Å²	159	147.2 Å²	147.2	85%	0.85	75%	0.746	S	S	*	*			trans	-60	95.4	178.6	-66.9	-53.8	0	0	0	113.4
19	E	53.6	Low	56.8	Low	166 Å²	166	146.6 Å²	146.6	78%	0.776	75%	0.749	S	S	*	*			trans	-128.8	114	141.3	-76.2	-167.2	177.6	0	0	108.1	R17 Q21	R17-E19 PolarHBondContact O-N 3.15Å; E19-Q21 PolarHBondContact O-N 3.46Å
20	V	49.1	Very low	56.2	Low	147 Å²	147	143.1 Å²	143.1	89%	0.891	74%	0.738	S	S	*	*			trans	-68.1	77.1	177.2	-176.8	0	0	0	0	108.5
21	Q	53.4	Low	55.3	Low	165 Å²	165	141.1 Å²	141.1	77%	0.771	73%	0.729	S	S	*	*			trans	-111.3	106.6	159.3	-78.9	-174	15.8	0	0	107.8	E19	E19-Q21 PolarHBondContact O-N 3.46Å
22	S	49.7	Very low	54.1	Low	103 Å²	103	139.6 Å²	139.6	72%	0.72	72%	0.716	S	S	*	*			trans	-25.4	124.4	171.9	179.3	0	0	0	0	112.5	R24	S22-R24 PolarHBondContact O-N 3.18Å
23	P	52.5	Low	52.7	Low	73 Å²	73	139 Å²	139	47%	0.474	72%	0.72	S	S	.	*			trans	-59.2	109.9	176.1	-12.5	23.9	0	0	0	107.8	A25 L26	P23-A25 HydrophobicContact CB-CB 4.16Å; P23-A25 PolarHBondContact O-N 2.66Å; P23-L26 HydrophobicContact CB-CD1 4.45Å; P23-L26 HydrophobicContact CB-CG 4.3Å; P23-L26 HydrophobicContact CG-CD1 3.99Å; P23-L26 HydrophobicContact CG-CG 4.35Å; P23-L26 PolarHBondContact O-N 3.27Å
24	R	51.2	Low	51.3	Low	227 Å²	227	138.8 Å²	138.8	86%	0.857	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-53.9	-18.8	164.7	-132.8	175.3	-175.2	178.6	1.1	110.7	S22 L26 R27	S22-R24 PolarHBondContact O-N 3.18Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 3.26Å; R24-R27 PolarHBondContact O-N 3.41Å
25	A	50.3	Low	50.3	Low	60 Å²	60	139.1 Å²	139.1	50%	0.496	71%	0.714	S	S	.	*	G	3₁₀ helix	trans	-66.6	-21.5	171.8	0	0	0	0	0	115.2	P23 R27 L28	P23-A25 HydrophobicContact CB-CB 4.16Å; P23-A25 PolarHBondContact O-N 2.66Å; A25-R27 VanDerWaalsContact C-N 3.32Å; A25-R27 PolarHBondContact O-N 3.23Å; A25-L28 PolarHBondContact O-N 3.06Å
26	L	48.1	Very low	49.3	Very low	108 Å²	108	139.9 Å²	139.9	57%	0.565	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-78	-15.1	175.4	-79.2	170.8	0	0	0	113.2	P23 R24 S30	P23-L26 HydrophobicContact CB-CD1 4.45Å; P23-L26 HydrophobicContact CB-CG 4.3Å; P23-L26 HydrophobicContact CG-CD1 3.99Å; P23-L26 HydrophobicContact CG-CG 4.35Å; P23-L26 PolarHBondContact O-N 3.27Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 3.26Å; L26-S30 WeakPolarHBondContact O-CB 3.42Å; L26-S30 PolarHBondContact O-N 2.83Å; L26-S30 PolarHBondContact O-OG 3Å
27	R	47.1	Very low	48.9	Very low	206 Å²	206	138.2 Å²	138.2	78%	0.777	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-84.1	-12.1	172.4	-81.7	-174	174.5	165.1	-0.8	114.3	R24 A25	R24-R27 PolarHBondContact O-N 3.41Å; A25-R27 VanDerWaalsContact C-N 3.32Å; A25-R27 PolarHBondContact O-N 3.23Å
28	L	49.8	Very low	49.1	Very low	137 Å²	137	131.7 Å²	131.7	72%	0.717	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-13.9	175	-67.4	172.8	0	0	0	113.1	A25	A25-L28 PolarHBondContact O-N 3.06Å
29	L	50.3	Low	49.9	Very low	149 Å²	149	132.4 Å²	132.4	78%	0.78	68%	0.676	S	S	*	*	S	Bend	trans	-106	-8.3	178.4	-63.1	174.3	0	0	0	113.4
30	S	43.6	Very low	50.9	Low	89 Å²	89	128.4 Å²	128.4	62%	0.622	67%	0.666	S	S	*	*	S	Bend	trans	-109.2	-4.7	176.6	53.1	0	0	0	0	113.9	L26	L26-S30 WeakPolarHBondContact O-CB 3.42Å; L26-S30 PolarHBondContact O-N 2.83Å; L26-S30 PolarHBondContact O-OG 3Å
31	S	40.7	Very low	52.5	Low	71 Å²	71	124.3 Å²	124.3	50%	0.497	64%	0.639	S	S	.	*	S	Bend	trans	-88.2	119.9	152.4	-65	0	0	0	0	105.7	N33	S31-N33 PolarHBondContact O-N 3.38Å; S31-N33 VanDerWaalsContact O-N 3.12Å
32	P	46.1	Very low	54	Low	85 Å²	85	120.1 Å²	120.1	55%	0.552	62%	0.622	S	S	*	*			trans	-55.5	130.4	157.2	-8.9	25.1	0	0	0	103.6	Y34	P32-Y34 HydrophobicContact CB-CD2 3.3Å; P32-Y34 HydrophobicContact CB-CE2 3.76Å; P32-Y34 HydrophobicContact CB-CG 4.11Å; P32-Y34 HydrophobicContact CG-CD2 3.48Å; P32-Y34 VanDerWaalsContact CG-CD2 3.48Å; P32-Y34 HydrophobicContact CG-CE2 3.71Å; P32-Y34 PolarHBondContact O-N 3.36Å
33	N	44.4	Very low	55.9	Low	151 Å²	151	119.7 Å²	119.7	81%	0.807	61%	0.612	S	S	*	*			trans	-62.8	67.5	149	-82.1	-40.4	0	0	0	106.1	S31 I35	S31-N33 PolarHBondContact O-N 3.38Å; S31-N33 VanDerWaalsContact O-N 3.12Å; N33-I35 PolarHBondContact O-N 3.07Å
34	Y	45.6	Very low	57.7	Low	187 Å²	187	120.9 Å²	120.9	73%	0.733	61%	0.611	S	S	*	*			trans	-63.3	75.4	145.4	-88	-74.4	0	0	0	102.9	P32 L36	P32-Y34 HydrophobicContact CB-CD2 3.3Å; P32-Y34 HydrophobicContact CB-CE2 3.76Å; P32-Y34 HydrophobicContact CB-CG 4.11Å; P32-Y34 HydrophobicContact CG-CD2 3.48Å; P32-Y34 VanDerWaalsContact CG-CD2 3.48Å; P32-Y34 HydrophobicContact CG-CE2 3.71Å; P32-Y34 PolarHBondContact O-N 3.36Å; Y34-L36 PolarHBondContact O-N 3.41Å
35	I	49.2	Very low	59.6	Low	128 Å²	128	116.2 Å²	116.2	66%	0.656	59%	0.593	S	S	*	*				-52	96.1	130	-54.3	176.2	0	0	0	101.3	N33 R37	N33-I35 PolarHBondContact O-N 3.07Å; I35-R37 HydrophobicContact CG2-CB 4.43Å; I35-R37 HydrophobicContact CG2-CG 3.8Å; I35-R37 PolarHBondContact O-N 3.22Å
36	L	44.9	Very low	61.7	Low	137 Å²	137	118.2 Å²	118.2	72%	0.717	60%	0.595	S	S	*	*			trans	-51.4	78.4	147.1	-100.7	140.5	0	0	0	103.1	Y34 N38	Y34-L36 PolarHBondContact O-N 3.41Å; L36-N38 PolarHBondContact O-N 2.9Å
37	R	51.2	Low	63.9	Low	118 Å²	118	117 Å²	117	45%	0.445	59%	0.587	S	S	.	*			trans	-61.8	95	155.7	-96	-162.2	163	144	10.4	100	I35 E39 D41 L42 R45	I35-R37 HydrophobicContact CG2-CB 4.43Å; I35-R37 HydrophobicContact CG2-CG 3.8Å; I35-R37 PolarHBondContact O-N 3.22Å; R37-E39 PolarHBondContact O-N 3.02Å; R37-D41 IonicContact NE-OD2 3.25Å; R37-D41 PolarHBondContact NE-OD2 3.08Å; R37-L42 HydrophobicContact CB-CD1 4.43Å; R37-L42 HydrophobicContact CB-CG 4.21Å; R37-R45 VanDerWaalsContact NH2-NH1 3.1Å
38	N	59.4	Low	66.2	Low	100 Å²	100	112.3 Å²	112.3	54%	0.535	57%	0.572	S	S	.	*			trans	-43.1	132.9	173.4	-76.4	-23.8	0	0	0	105.5	L36 S40 D41 L42	L36-N38 PolarHBondContact O-N 2.9Å; N38-S40 WeakPolarHBondContact CB-OG 3.49Å; N38-S40 CarbonylContact O-C 3.54Å; N38-S40 PolarHBondContact O-N 3.38Å; N38-D41 WeakPolarHBondContact O-CB 3.38Å; N38-D41 PolarHBondContact O-N 3.42Å; N38-L42 PolarHBondContact O-N 3.27Å
39	E	66.9	Low	68.4	Low	174 Å²	174	107.7 Å²	107.7	81%	0.813	55%	0.553	S	S	*	*	H	α-helix	trans	-50.8	-26.7	178.3	-65.7	-178.3	153	0	0	110.9	R37 L42 N43	R37-E39 PolarHBondContact O-N 3.02Å; E39-L42 PolarHBondContact O-N 2.89Å; E39-N43 VanDerWaalsContact O-CB 3.24Å; E39-N43 WeakPolarHBondContact O-CB 3.41Å; E39-N43 PolarHBondContact O-N 3.33Å
40	S	74.6	Confident	70.7	Confident	81 Å²	81	108.3 Å²	108.3	57%	0.566	55%	0.546	S	S	*	.	H	α-helix	trans	-57.5	-42.4	168.2	60.4	0	0	0	0	115.1	N38 N43 E44	N38-S40 WeakPolarHBondContact CB-OG 3.49Å; N38-S40 CarbonylContact O-C 3.54Å; N38-S40 PolarHBondContact O-N 3.38Å; S40-N43 PolarHBondContact O-N 2.95Å; S40-E44 VanDerWaalsContact O-CB 3.29Å; S40-E44 WeakPolarHBondContact O-CB 3.41Å; S40-E44 PolarHBondContact O-N 3.44Å
41	D	82.9	Confident	73.2	Confident	61 Å²	61	109.7 Å²	109.7	33%	0.326	54%	0.542	S	S	.	.	H	α-helix	trans	-66.7	-42.1	176	177.8	57.2	0	0	0	111.5	R37 N38 R45	R37-D41 IonicContact NE-OD2 3.25Å; R37-D41 PolarHBondContact NE-OD2 3.08Å; N38-D41 WeakPolarHBondContact O-CB 3.38Å; N38-D41 PolarHBondContact O-N 3.42Å; D41-R45 WeakPolarHBondContact O-CB 3.31Å; D41-R45 VanDerWaalsContact O-CG 3.26Å; D41-R45 WeakPolarHBondContact O-CG 3.35Å; D41-R45 PolarHBondContact O-N 2.85Å
42	L	85.4	Confident	75.9	Confident	77 Å²	77	114.3 Å²	114.3	40%	0.403	55%	0.549	S	S	.	.	H	α-helix	trans	-65.9	-44	175.8	-74	173.8	0	0	0	111.5	R37 N38 E39 R45 L46	R37-L42 HydrophobicContact CB-CD1 4.43Å; R37-L42 HydrophobicContact CB-CG 4.21Å; N38-L42 PolarHBondContact O-N 3.27Å; E39-L42 PolarHBondContact O-N 2.89Å; L42-R45 PolarHBondContact O-N 2.94Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.45Å
43	N	89.4	Confident	78.4	Confident	94 Å²	94	119.2 Å²	119.2	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-43.6	178.1	-167.6	63.5	0	0	0	111.4	E39 S40 R45 L46 E47	E39-N43 VanDerWaalsContact O-CB 3.24Å; E39-N43 WeakPolarHBondContact O-CB 3.41Å; E39-N43 PolarHBondContact O-N 3.33Å; S40-N43 PolarHBondContact O-N 2.95Å; N43-R45 VanDerWaalsContact C-N 3.34Å; N43-R45 PolarHBondContact O-N 3.43Å; N43-L46 PolarHBondContact O-N 3.06Å; N43-E47 WeakPolarHBondContact O-CG 3.38Å; N43-E47 PolarHBondContact O-N 3.25Å
44	E	90.3	Very high	80.9	Confident	99 Å²	99	115.4 Å²	115.4	46%	0.463	54%	0.541	S	S	.	.	H	α-helix	trans	-60.4	-42.3	175.2	-170.9	-172.8	158.5	0	0	111.7	S40 L46 E47 K48	S40-E44 VanDerWaalsContact O-CB 3.29Å; S40-E44 WeakPolarHBondContact O-CB 3.41Å; S40-E44 PolarHBondContact O-N 3.44Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 2.9Å; E44-E47 PolarHBondContact O-N 3.27Å; E44-K48 HydrophobicContact CG-CD 4.32Å; E44-K48 WeakPolarHBondContact O-CB 3.5Å; E44-K48 WeakPolarHBondContact O-CG 3.44Å; E44-K48 PolarHBondContact O-N 3.06Å; E44-K48 WeakPolarHBondContact OE1-CE 3.48Å; E44-K48 IonicContact OE1-NZ 3.37Å; E44-K48 PolarHBondContact OE1-NZ 3.41Å
45	R	91.3	Very high	83.4	Confident	128 Å²	128	110.3 Å²	110.3	48%	0.483	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-35.4	176.1	-71.8	178.3	74.6	-143.7	2	112.5	R37 D41 L42 N43 A49	R37-R45 VanDerWaalsContact NH2-NH1 3.1Å; D41-R45 WeakPolarHBondContact O-CB 3.31Å; D41-R45 VanDerWaalsContact O-CG 3.26Å; D41-R45 WeakPolarHBondContact O-CG 3.35Å; D41-R45 PolarHBondContact O-N 2.85Å; L42-R45 PolarHBondContact O-N 2.94Å; N43-R45 VanDerWaalsContact C-N 3.34Å; N43-R45 PolarHBondContact O-N 3.43Å; R45-A49 WeakPolarHBondContact O-CB 3.38Å; R45-A49 PolarHBondContact O-N 3.2Å
46	L	93.8	Very high	85.7	Confident	103 Å²	103	108.3 Å²	108.3	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-68.3	-44.7	174.4	-76.3	170.8	0	0	0	111.6	L42 N43 E44 A49 R50	L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.45Å; N43-L46 PolarHBondContact O-N 3.06Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 2.9Å; L46-A49 WeakPolarHBondContact O-CB 3.48Å; L46-A49 PolarHBondContact O-N 3.49Å; L46-A49 VanDerWaalsContact O-N 3.14Å; L46-R50 WeakPolarHBondContact O-CG 3.48Å; L46-R50 PolarHBondContact O-N 3.47Å
47	E	95	Very high	88.3	Confident	83 Å²	83	106.2 Å²	106.2	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-44.3	176.8	-71.2	-53.9	126.6	0	0	111.5	N43 E44 A49 R50 E51	N43-E47 WeakPolarHBondContact O-CG 3.38Å; N43-E47 PolarHBondContact O-N 3.25Å; E44-E47 PolarHBondContact O-N 3.27Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.26Å; E47-R50 WeakPolarHBondContact O-CB 3.43Å; E47-R50 PolarHBondContact O-N 2.97Å; E47-R50 VanDerWaalsContact O-N 3.11Å; E47-R50 WeakPolarHBondContact OE1-CD 3.38Å; E47-R50 IonicContact OE1-CZ 3.49Å; E47-R50 IonicContact OE1-NE 2.82Å; E47-R50 IonicContact OE1-NH1 2.79Å; E47-R50 PolarHBondContact OE1-NH1 2.91Å; E47-E51 WeakPolarHBondContact O-CB 3.38Å; E47-E51 PolarHBondContact O-N 3.16Å
48	K	96	Very high	90.5	Very high	106 Å²	106	103.1 Å²	103.1	46%	0.461	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-31.2	171.3	-76.5	175.6	171.2	167.7	0	113.2	E44 R52	E44-K48 HydrophobicContact CG-CD 4.32Å; E44-K48 WeakPolarHBondContact O-CB 3.5Å; E44-K48 WeakPolarHBondContact O-CG 3.44Å; E44-K48 PolarHBondContact O-N 3.06Å; E44-K48 WeakPolarHBondContact OE1-CE 3.48Å; E44-K48 IonicContact OE1-NZ 3.37Å; E44-K48 PolarHBondContact OE1-NZ 3.41Å; K48-R52 WeakPolarHBondContact O-CB 3.45Å; K48-R52 VanDerWaalsContact O-CG 3.31Å; K48-R52 WeakPolarHBondContact O-CG 3.47Å; K48-R52 PolarHBondContact O-N 3.05Å; K48-R52 PolarHBondContact O-NE 3.29Å
49	A	96	Very high	92.3	Very high	40 Å²	40	102.9 Å²	102.9	33%	0.331	51%	0.505	S	S	.	.	H	α-helix	trans	-74	-39	173.8	0	0	0	0	0	112	R45 L46 E47 R53	R45-A49 WeakPolarHBondContact O-CB 3.38Å; R45-A49 PolarHBondContact O-N 3.2Å; L46-A49 WeakPolarHBondContact O-CB 3.48Å; L46-A49 PolarHBondContact O-N 3.49Å; L46-A49 VanDerWaalsContact O-N 3.14Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.26Å; A49-R53 WeakPolarHBondContact O-CB 3.43Å; A49-R53 PolarHBondContact O-N 3.3Å
50	R	97.1	Very high	93.8	Very high	163 Å²	163	97.4 Å²	97.4	62%	0.615	48%	0.483	S	S	*	.	H	α-helix	trans	-63.3	-45.7	173.7	-74.1	174.1	177.3	-172.8	-3.3	111.4	L46 E47 R53 S54	L46-R50 WeakPolarHBondContact O-CG 3.48Å; L46-R50 PolarHBondContact O-N 3.47Å; E47-R50 WeakPolarHBondContact O-CB 3.43Å; E47-R50 PolarHBondContact O-N 2.97Å; E47-R50 VanDerWaalsContact O-N 3.11Å; E47-R50 WeakPolarHBondContact OE1-CD 3.38Å; E47-R50 IonicContact OE1-CZ 3.49Å; E47-R50 IonicContact OE1-NE 2.82Å; E47-R50 IonicContact OE1-NH1 2.79Å; E47-R50 PolarHBondContact OE1-NH1 2.91Å; R50-R53 PolarHBondContact O-N 2.9Å; R50-S54 WeakPolarHBondContact O-CB 3.39Å; R50-S54 PolarHBondContact O-N 3.07Å
51	E	97.3	Very high	94.9	Very high	118 Å²	118	98 Å²	98	55%	0.551	48%	0.479	S	S	*	.	H	α-helix	trans	-60.4	-48.9	177.1	-172.9	-178.1	-172.3	0	0	111.4	E47 R53 S54 N55	E47-E51 WeakPolarHBondContact O-CB 3.38Å; E47-E51 PolarHBondContact O-N 3.16Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 3.09Å; E51-S54 WeakPolarHBondContact O-CB 3.41Å; E51-S54 PolarHBondContact O-N 3.45Å; E51-S54 VanDerWaalsContact O-N 3.11Å; E51-N55 VanDerWaalsContact O-CG 3.28Å; E51-N55 PolarHBondContact O-N 2.86Å
52	R	97.4	Very high	95.7	Very high	168 Å²	168	99 Å²	99	63%	0.634	48%	0.484	S	S	*	.	H	α-helix	trans	-57.5	-43.4	174.9	-76.7	-176.7	-66.9	171.2	1.3	112.4	K48 N55 V56	K48-R52 WeakPolarHBondContact O-CB 3.45Å; K48-R52 VanDerWaalsContact O-CG 3.31Å; K48-R52 WeakPolarHBondContact O-CG 3.47Å; K48-R52 PolarHBondContact O-N 3.05Å; K48-R52 PolarHBondContact O-NE 3.29Å; R52-N55 PolarHBondContact O-N 2.96Å; R52-V56 VanDerWaalsContact O-CG2 3.32Å; R52-V56 WeakPolarHBondContact O-CG2 3.31Å; R52-V56 PolarHBondContact O-N 3.37Å
53	R	97.7	Very high	96.3	Very high	187 Å²	187	101.9 Å²	101.9	71%	0.706	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-43.5	175.9	-177.5	-179.3	175.8	-172.2	-1.4	111.3	A49 R50 E51 V56 L57	A49-R53 WeakPolarHBondContact O-CB 3.43Å; A49-R53 PolarHBondContact O-N 3.3Å; R50-R53 PolarHBondContact O-N 2.9Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 3.09Å; R53-V56 PolarHBondContact O-N 3.4Å; R53-L57 HydrophobicContact CG-CD1 4.13Å; R53-L57 WeakPolarHBondContact O-CB 3.28Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 2.94Å
54	S	97.8	Very high	96.7	Very high	71 Å²	71	102.1 Å²	102.1	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-60	-47.5	177.4	-169.9	0	0	0	0	111.2	R50 E51 V56 L57 A58	R50-S54 WeakPolarHBondContact O-CB 3.39Å; R50-S54 PolarHBondContact O-N 3.07Å; E51-S54 WeakPolarHBondContact O-CB 3.41Å; E51-S54 PolarHBondContact O-N 3.45Å; E51-S54 VanDerWaalsContact O-N 3.11Å; S54-V56 PolarHBondContact O-N 3.38Å; S54-L57 PolarHBondContact O-N 3.02Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.01Å
55	N	97.9	Very high	97.1	Very high	80 Å²	80	102.6 Å²	102.6	43%	0.428	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-45.2	179.9	-67.2	-13.2	0	0	0	111.8	E51 R52 L57 A58 E59	E51-N55 VanDerWaalsContact O-CG 3.28Å; E51-N55 PolarHBondContact O-N 2.86Å; R52-N55 PolarHBondContact O-N 2.96Å; N55-L57 VanDerWaalsContact C-N 3.32Å; N55-L57 PolarHBondContact O-N 3.35Å; N55-A58 PolarHBondContact O-N 3.26Å; N55-E59 WeakPolarHBondContact O-CB 3.22Å; N55-E59 WeakPolarHBondContact O-CG 3.36Å; N55-E59 PolarHBondContact O-N 3.49Å
56	V	98	Very high	97.4	Very high	87 Å²	87	102.1 Å²	102.1	53%	0.527	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-40.4	176.2	172	0	0	0	0	111.6	R52 R53 S54 T60	R52-V56 VanDerWaalsContact O-CG2 3.32Å; R52-V56 WeakPolarHBondContact O-CG2 3.31Å; R52-V56 PolarHBondContact O-N 3.37Å; R53-V56 PolarHBondContact O-N 3.4Å; S54-V56 PolarHBondContact O-N 3.38Å; V56-T60 WeakPolarHBondContact O-CB 3.32Å; V56-T60 PolarHBondContact O-N 3.35Å; V56-T60 PolarHBondContact O-OG1 3.3Å
57	L	97.8	Very high	97.6	Very high	93 Å²	93	102.9 Å²	102.9	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-45.6	176	-73.7	171.1	0	0	0	111.5	R53 S54 N55 T60 I61	R53-L57 HydrophobicContact CG-CD1 4.13Å; R53-L57 WeakPolarHBondContact O-CB 3.28Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 2.94Å; S54-L57 PolarHBondContact O-N 3.02Å; N55-L57 VanDerWaalsContact C-N 3.32Å; N55-L57 PolarHBondContact O-N 3.35Å; L57-T60 PolarHBondContact O-N 2.92Å; L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.41Å; L57-I61 PolarHBondContact O-N 3.48Å
58	A	98.1	Very high	97.8	Very high	53 Å²	53	102.3 Å²	102.3	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-44.3	178.1	0	0	0	0	0	112.1	S54 N55 T60 I61 N62	S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.01Å; N55-A58 PolarHBondContact O-N 3.26Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.37Å; A58-I61 PolarHBondContact O-N 2.91Å; A58-N62 WeakPolarHBondContact O-CB 3.42Å; A58-N62 PolarHBondContact O-N 2.94Å
59	E	98.1	Very high	97.9	Very high	95 Å²	95	103.6 Å²	103.6	44%	0.444	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-40.1	173.9	-73.8	-179.7	-160.9	0	0	112.4	N55 N62 R63	N55-E59 WeakPolarHBondContact O-CB 3.22Å; N55-E59 WeakPolarHBondContact O-CG 3.36Å; N55-E59 PolarHBondContact O-N 3.49Å; E59-N62 PolarHBondContact O-N 3.39Å; E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 WeakPolarHBondContact O-CG 3.41Å; E59-R63 PolarHBondContact O-N 3.49Å; E59-R63 IonicContact OE2-CZ 3.84Å; E59-R63 IonicContact OE2-NH1 3.55Å; E59-R63 IonicContact OE2-NH2 3.7Å; E59-R63 PolarHBondContact OE2-NH2 2.99Å
60	T	97.9	Very high	98	Very high	59 Å²	59	106.1 Å²	106.1	36%	0.362	51%	0.514	S	S	.	.	H	α-helix	trans	-66.5	-42.4	178.5	-58.1	0	0	0	0	111.3	V56 L57 A58 R63 N64	V56-T60 WeakPolarHBondContact O-CB 3.32Å; V56-T60 PolarHBondContact O-N 3.35Å; V56-T60 PolarHBondContact O-OG1 3.3Å; L57-T60 PolarHBondContact O-N 2.92Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.37Å; T60-R63 PolarHBondContact O-N 2.67Å; T60-N64 WeakPolarHBondContact O-CB 3.44Å; T60-N64 PolarHBondContact O-N 3.47Å; T60-N64 PolarHBondContact O-ND2 3.31Å
61	I	98.2	Very high	98.1	Very high	93 Å²	93	101.9 Å²	101.9	48%	0.477	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-50.1	174.3	-70	163.8	0	0	0	110	L57 A58 R63 N64 E65	L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.41Å; L57-I61 PolarHBondContact O-N 3.48Å; A58-I61 PolarHBondContact O-N 2.91Å; I61-R63 PolarHBondContact O-N 3.36Å; I61-N64 WeakPolarHBondContact O-CB 3.38Å; I61-N64 PolarHBondContact O-N 2.99Å; I61-N64 VanDerWaalsContact O-N 3.12Å; I61-E65 HydrophobicContact CG2-CG 4.35Å; I61-E65 WeakPolarHBondContact O-CG 3.36Å; I61-E65 PolarHBondContact O-N 3.35Å
62	N	98.2	Very high	98.2	Very high	81 Å²	81	102 Å²	102	43%	0.433	51%	0.505	S	S	.	.	H	α-helix	trans	-59.7	-45.8	179.3	-172.4	-18.6	0	0	0	111.8	A58 E59 N64 E65 Q66	A58-N62 WeakPolarHBondContact O-CB 3.42Å; A58-N62 PolarHBondContact O-N 2.94Å; E59-N62 PolarHBondContact O-N 3.39Å; N62-N64 VanDerWaalsContact C-N 3.31Å; N62-N64 PolarHBondContact O-N 3.36Å; N62-E65 PolarHBondContact O-N 2.93Å; N62-Q66 VanDerWaalsContact O-CG 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.31Å; N62-Q66 PolarHBondContact O-N 2.96Å; N62-Q66 PolarHBondContact OD1-NE2 3.45Å
63	R	98.1	Very high	98.2	Very high	138 Å²	138	96.4 Å²	96.4	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-59.4	-40.9	175.1	-72.9	-179.2	-165.2	110.8	7.3	112.2	E59 T60 I61 H67	E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 WeakPolarHBondContact O-CG 3.41Å; E59-R63 PolarHBondContact O-N 3.49Å; E59-R63 IonicContact OE2-CZ 3.84Å; E59-R63 IonicContact OE2-NH1 3.55Å; E59-R63 IonicContact OE2-NH2 3.7Å; E59-R63 PolarHBondContact OE2-NH2 2.99Å; T60-R63 PolarHBondContact O-N 2.67Å; I61-R63 PolarHBondContact O-N 3.36Å; R63-H67 WeakPolarHBondContact O-CB 3.32Å; R63-H67 PolarHBondContact O-N 2.9Å
64	N	98.3	Very high	98.2	Very high	99 Å²	99	93.3 Å²	93.3	53%	0.529	48%	0.483	S	S	.	.	H	α-helix	trans	-67.3	-41.7	177.5	-72.3	-15.9	0	0	0	111.9	T60 I61 N62 H67 V68	T60-N64 WeakPolarHBondContact O-CB 3.44Å; T60-N64 PolarHBondContact O-N 3.47Å; T60-N64 PolarHBondContact O-ND2 3.31Å; I61-N64 WeakPolarHBondContact O-CB 3.38Å; I61-N64 PolarHBondContact O-N 2.99Å; I61-N64 VanDerWaalsContact O-N 3.12Å; N62-N64 VanDerWaalsContact C-N 3.31Å; N62-N64 PolarHBondContact O-N 3.36Å; N64-H67 PolarHBondContact O-N 3.32Å; N64-V68 WeakPolarHBondContact O-CG2 3.37Å; N64-V68 PolarHBondContact O-N 2.92Å
65	E	98.2	Very high	98.3	Very high	109 Å²	109	93 Å²	93	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-45.3	175.7	-73.2	174	169.7	0	0	111.5	I61 N62 H67 V68 H69	I61-E65 HydrophobicContact CG2-CG 4.35Å; I61-E65 WeakPolarHBondContact O-CG 3.36Å; I61-E65 PolarHBondContact O-N 3.35Å; N62-E65 PolarHBondContact O-N 2.93Å; E65-H67 VanDerWaalsContact C-N 3.32Å; E65-H67 PolarHBondContact O-N 2.9Å; E65-V68 PolarHBondContact O-N 3.47Å; E65-H69 PolarHBondContact O-CD2 3.29Å; E65-H69 VanDerWaalsContact O-CD2 3.29Å; E65-H69 PolarHBondContact O-N 3.44Å
66	Q	98.3	Very high	98.3	Very high	118 Å²	118	95.2 Å²	95.2	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-58.9	-43.3	174	-71	176.4	8.7	0	0	111.8	N62 H69 L70	N62-Q66 VanDerWaalsContact O-CG 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.31Å; N62-Q66 PolarHBondContact O-N 2.96Å; N62-Q66 PolarHBondContact OD1-NE2 3.45Å; Q66-H69 PolarHBondContact O-N 2.91Å; Q66-L70 WeakPolarHBondContact O-CB 3.47Å; Q66-L70 PolarHBondContact O-N 3.18Å
67	H	98.5	Very high	98.3	Very high	119 Å²	119	95.7 Å²	95.7	55%	0.551	49%	0.485	S	S	*	.	H	α-helix	trans	-62.8	-43.9	176.5	-177.1	-87.8	0	0	0	111.8	R63 N64 E65 H69 L70 V71	R63-H67 WeakPolarHBondContact O-CB 3.32Å; R63-H67 PolarHBondContact O-N 2.9Å; N64-H67 PolarHBondContact O-N 3.32Å; E65-H67 VanDerWaalsContact C-N 3.32Å; E65-H67 PolarHBondContact O-N 2.9Å; H67-H69 PolarHBondContact O-N 3.33Å; H67-L70 PolarHBondContact O-N 3.35Å; H67-V71 WeakPolarHBondContact O-CG2 3.3Å; H67-V71 PolarHBondContact O-N 2.92Å
68	V	98.5	Very high	98.4	Very high	71 Å²	71	95.9 Å²	95.9	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-61.6	-44	175.7	170	0	0	0	0	111.1	N64 E65 V71 K72	N64-V68 WeakPolarHBondContact O-CG2 3.37Å; N64-V68 PolarHBondContact O-N 2.92Å; E65-V68 PolarHBondContact O-N 3.47Å; V68-V71 PolarHBondContact O-N 3.27Å; V68-K72 HydrophobicContact CG1-CD 4.14Å; V68-K72 HydrophobicContact CG1-CG 4.47Å; V68-K72 WeakPolarHBondContact O-CB 3.46Å; V68-K72 WeakPolarHBondContact O-CG 3.43Å; V68-K72 PolarHBondContact O-N 2.91Å
69	H	98.4	Very high	98.4	Very high	133 Å²	133	99.6 Å²	99.6	62%	0.616	49%	0.489	S	S	*	.	H	α-helix	trans	-60.7	-44	175.5	-88.4	-73	0	0	0	112.3	E65 Q66 H67 K72 S73	E65-H69 PolarHBondContact O-CD2 3.29Å; E65-H69 VanDerWaalsContact O-CD2 3.29Å; E65-H69 PolarHBondContact O-N 3.44Å; Q66-H69 PolarHBondContact O-N 2.91Å; H67-H69 PolarHBondContact O-N 3.33Å; H69-K72 PolarHBondContact O-N 2.9Å; H69-S73 WeakPolarHBondContact O-CB 3.37Å; H69-S73 PolarHBondContact O-N 3.43Å
70	L	98.6	Very high	98.4	Very high	93 Å²	93	100.9 Å²	100.9	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-45.2	177.4	-179.3	64.8	0	0	0	111.8	Q66 H67 S73 K74	Q66-L70 WeakPolarHBondContact O-CB 3.47Å; Q66-L70 PolarHBondContact O-N 3.18Å; H67-L70 PolarHBondContact O-N 3.35Å; L70-S73 PolarHBondContact O-N 3.42Å; L70-K74 WeakPolarHBondContact O-CG 3.35Å; L70-K74 PolarHBondContact O-N 3.25Å
71	V	98.5	Very high	98.4	Very high	75 Å²	75	103.7 Å²	103.7	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-42.7	178.6	171.9	0	0	0	0	111.1	H67 V68 K74 C75	H67-V71 WeakPolarHBondContact O-CG2 3.3Å; H67-V71 PolarHBondContact O-N 2.92Å; V68-V71 PolarHBondContact O-N 3.27Å; V71-K74 PolarHBondContact O-N 2.94Å; V71-C75 WeakPolarHBondContact O-CB 3.43Å; V71-C75 PolarHBondContact O-N 2.91Å
72	K	98.6	Very high	98.4	Very high	119 Å²	119	104.8 Å²	104.8	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-59.8	-48.7	175	-76.7	178.9	178.6	179.6	0	111.5	V68 H69 K74 C75 E76	V68-K72 HydrophobicContact CG1-CD 4.14Å; V68-K72 HydrophobicContact CG1-CG 4.47Å; V68-K72 WeakPolarHBondContact O-CB 3.46Å; V68-K72 WeakPolarHBondContact O-CG 3.43Å; V68-K72 PolarHBondContact O-N 2.91Å; H69-K72 PolarHBondContact O-N 2.9Å; K72-K74 PolarHBondContact O-N 3.43Å; K72-C75 WeakPolarHBondContact O-CB 3Å; K72-C75 PolarHBondContact O-N 3.1Å; K72-C75 VanDerWaalsContact O-N 3.15Å; K72-E76 WeakPolarHBondContact O-CG 3.41Å; K72-E76 PolarHBondContact O-N 2.76Å
73	S	98.5	Very high	98.4	Very high	51 Å²	51	104.8 Å²	104.8	36%	0.357	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-44.7	178.5	179.7	0	0	0	0	112.2	H69 L70 C75 E76 Q77	H69-S73 WeakPolarHBondContact O-CB 3.37Å; H69-S73 PolarHBondContact O-N 3.43Å; L70-S73 PolarHBondContact O-N 3.42Å; S73-C75 VanDerWaalsContact C-N 3.34Å; S73-C75 PolarHBondContact O-N 3.43Å; S73-E76 PolarHBondContact O-N 2.96Å; S73-Q77 WeakPolarHBondContact O-CG 3.5Å; S73-Q77 PolarHBondContact O-N 3.45Å
74	K	98.6	Very high	98.5	Very high	122 Å²	122	101.7 Å²	101.7	53%	0.53	51%	0.505	S	S	.	.	H	α-helix	trans	-61.7	-41	174.7	-75.5	-177.3	177.4	-177.2	0	112.4	L70 V71 K72 Q77 E78	L70-K74 WeakPolarHBondContact O-CG 3.35Å; L70-K74 PolarHBondContact O-N 3.25Å; V71-K74 PolarHBondContact O-N 2.94Å; K72-K74 PolarHBondContact O-N 3.43Å; K74-Q77 PolarHBondContact O-N 3.4Å; K74-E78 WeakPolarHBondContact O-CG 3.4Å; K74-E78 PolarHBondContact O-N 2.86Å
75	C	98.5	Very high	98.5	Very high	65 Å²	65	105 Å²	105	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-42	177.1	-176.1	0	0	0	0	111.8	V71 K72 S73 E78 K79	V71-C75 WeakPolarHBondContact O-CB 3.43Å; V71-C75 PolarHBondContact O-N 2.91Å; K72-C75 WeakPolarHBondContact O-CB 3Å; K72-C75 PolarHBondContact O-N 3.1Å; K72-C75 VanDerWaalsContact O-N 3.15Å; S73-C75 VanDerWaalsContact C-N 3.34Å; S73-C75 PolarHBondContact O-N 3.43Å; C75-E78 PolarHBondContact O-N 3.4Å; C75-K79 WeakPolarHBondContact O-CG 3.23Å; C75-K79 PolarHBondContact O-N 2.96Å
76	E	98.4	Very high	98.5	Very high	126 Å²	126	102.9 Å²	102.9	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-43.6	175.8	-74.3	167.2	-163.4	0	0	111.9	K72 S73 E78 K79 E80	K72-E76 WeakPolarHBondContact O-CG 3.41Å; K72-E76 PolarHBondContact O-N 2.76Å; S73-E76 PolarHBondContact O-N 2.96Å; E76-E78 PolarHBondContact O-N 3.32Å; E76-K79 WeakPolarHBondContact O-CB 3.29Å; E76-K79 PolarHBondContact O-N 2.92Å; E76-E80 WeakPolarHBondContact O-CB 3.33Å; E76-E80 PolarHBondContact O-N 3.16Å
77	Q	98.5	Very high	98.5	Very high	97 Å²	97	101.6 Å²	101.6	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-43.1	175.9	-73.4	174.7	2.2	0	0	112.7	S73 K74 E80 K81	S73-Q77 WeakPolarHBondContact O-CG 3.5Å; S73-Q77 PolarHBondContact O-N 3.45Å; K74-Q77 PolarHBondContact O-N 3.4Å; Q77-E80 PolarHBondContact O-N 2.73Å; Q77-K81 WeakPolarHBondContact O-CG 3.45Å; Q77-K81 PolarHBondContact O-N 2.95Å
78	E	98.4	Very high	98.5	Very high	98 Å²	98	101.4 Å²	101.4	46%	0.458	50%	0.504	S	S	.	.	H	α-helix	trans	-69.2	-35.6	177.6	-68.8	-55	128.7	0	0	112.2	K74 C75 E76 K81 L82	K74-E78 WeakPolarHBondContact O-CG 3.4Å; K74-E78 PolarHBondContact O-N 2.86Å; C75-E78 PolarHBondContact O-N 3.4Å; E76-E78 PolarHBondContact O-N 3.32Å; E78-K81 PolarHBondContact O-N 3.03Å; E78-K81 IonicContact OE1-NZ 2.73Å; E78-K81 PolarHBondContact OE1-NZ 3.37Å; E78-L82 WeakPolarHBondContact O-CG 3.4Å; E78-L82 PolarHBondContact O-N 2.82Å
79	K	98.6	Very high	98.5	Very high	131 Å²	131	103.1 Å²	103.1	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-44.9	171.6	-75.5	177.1	-179	-179.8	0	111.6	C75 E76 L82 V83	C75-K79 WeakPolarHBondContact O-CG 3.23Å; C75-K79 PolarHBondContact O-N 2.96Å; E76-K79 WeakPolarHBondContact O-CB 3.29Å; E76-K79 PolarHBondContact O-N 2.92Å; K79-L82 PolarHBondContact O-N 3.21Å; K79-V83 WeakPolarHBondContact O-CG2 3.28Å; K79-V83 PolarHBondContact O-N 3.47Å
80	E	98.5	Very high	98.5	Very high	121 Å²	121	102.4 Å²	102.4	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-44.9	177.8	-175.3	178.1	-169.2	0	0	111.5	E76 Q77 L82 V83 N84	E76-E80 WeakPolarHBondContact O-CB 3.33Å; E76-E80 PolarHBondContact O-N 3.16Å; Q77-E80 PolarHBondContact O-N 2.73Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.45Å; E80-V83 PolarHBondContact O-N 3.31Å; E80-N84 WeakPolarHBondContact O-CB 3.38Å; E80-N84 VanDerWaalsContact O-CG 3.24Å; E80-N84 PolarHBondContact O-N 2.87Å; E80-N84 PolarHBondContact O-ND2 3.39Å
81	K	98.5	Very high	98.5	Very high	118 Å²	118	103.8 Å²	103.8	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-57.8	-42.6	174.1	-72.4	173.7	-171.1	171.3	0	112.6	Q77 E78 R85	Q77-K81 WeakPolarHBondContact O-CG 3.45Å; Q77-K81 PolarHBondContact O-N 2.95Å; E78-K81 PolarHBondContact O-N 3.03Å; E78-K81 IonicContact OE1-NZ 2.73Å; E78-K81 PolarHBondContact OE1-NZ 3.37Å; K81-R85 VanDerWaalsContact O-CB 3.32Å; K81-R85 WeakPolarHBondContact O-CB 3.44Å; K81-R85 PolarHBondContact O-N 2.98Å
82	L	98.4	Very high	98.5	Very high	116 Å²	116	104.8 Å²	104.8	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-65.8	-42.3	177.6	-73.6	173.3	0	0	0	112	E78 K79 E80 S86	E78-L82 WeakPolarHBondContact O-CG 3.4Å; E78-L82 PolarHBondContact O-N 2.82Å; K79-L82 PolarHBondContact O-N 3.21Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.45Å; L82-S86 WeakPolarHBondContact O-CB 3.31Å; L82-S86 PolarHBondContact O-N 3.45Å
83	V	98.6	Very high	98.5	Very high	81 Å²	81	103.4 Å²	103.4	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-63.9	-47.4	176.8	170.3	0	0	0	0	110.7	K79 E80 R85 S86 N87	K79-V83 WeakPolarHBondContact O-CG2 3.28Å; K79-V83 PolarHBondContact O-N 3.47Å; E80-V83 PolarHBondContact O-N 3.31Å; V83-R85 PolarHBondContact O-N 3.01Å; V83-S86 WeakPolarHBondContact O-CB 3.45Å; V83-S86 PolarHBondContact O-N 3.38Å; V83-S86 VanDerWaalsContact O-N 3.13Å; V83-N87 VanDerWaalsContact O-CG 3.32Å; V83-N87 PolarHBondContact O-N 3.01Å; V83-N87 PolarHBondContact O-ND2 3.44Å
84	N	98.5	Very high	98.5	Very high	74 Å²	74	103.8 Å²	103.8	40%	0.396	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-46.1	178.9	-69.4	-14.9	0	0	0	111.4	E80 S86 N87 E88	E80-N84 WeakPolarHBondContact O-CB 3.38Å; E80-N84 VanDerWaalsContact O-CG 3.24Å; E80-N84 PolarHBondContact O-N 2.87Å; E80-N84 PolarHBondContact O-ND2 3.39Å; N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 2.91Å; N84-N87 PolarHBondContact O-N 3.19Å; N84-N87 VanDerWaalsContact O-N 3.17Å; N84-E88 WeakPolarHBondContact O-CG 3.49Å; N84-E88 PolarHBondContact O-N 3.31Å
85	R	98.6	Very high	98.5	Very high	168 Å²	168	103.5 Å²	103.5	63%	0.634	52%	0.52	S	S	*	.	H	α-helix	trans	-60.3	-39.7	174.6	-175.5	177.9	-178.6	-174.5	0.7	112.3	K81 V83 N87 L89	K81-R85 VanDerWaalsContact O-CB 3.32Å; K81-R85 WeakPolarHBondContact O-CB 3.44Å; K81-R85 PolarHBondContact O-N 2.98Å; V83-R85 PolarHBondContact O-N 3.01Å; R85-N87 VanDerWaalsContact C-N 3.34Å; R85-L89 HydrophobicContact CG-CD1 4.31Å; R85-L89 VanDerWaalsContact O-CG 3.28Å; R85-L89 WeakPolarHBondContact O-CG 3.47Å; R85-L89 PolarHBondContact O-N 3.26Å; R85-L89 VanDerWaalsContact O-N 3.07Å
86	S	98.6	Very high	98.5	Very high	64 Å²	64	103.1 Å²	103.1	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-41.7	176.5	-172.2	0	0	0	0	111.5	L82 V83 N84 L89 M90	L82-S86 WeakPolarHBondContact O-CB 3.31Å; L82-S86 PolarHBondContact O-N 3.45Å; V83-S86 WeakPolarHBondContact O-CB 3.45Å; V83-S86 PolarHBondContact O-N 3.38Å; V83-S86 VanDerWaalsContact O-N 3.13Å; N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 2.91Å; S86-L89 PolarHBondContact O-N 3.17Å; S86-M90 WeakPolarHBondContact O-CG 3.4Å; S86-M90 PolarHBondContact O-N 3.26Å
87	N	98.5	Very high	98.5	Very high	92 Å²	92	102 Å²	102	49%	0.492	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-46.1	178.8	-68.7	-20.5	0	0	0	111.5	V83 N84 R85 L89 M90 E91	V83-N87 VanDerWaalsContact O-CG 3.32Å; V83-N87 PolarHBondContact O-N 3.01Å; V83-N87 PolarHBondContact O-ND2 3.44Å; N84-N87 PolarHBondContact O-N 3.19Å; N84-N87 VanDerWaalsContact O-N 3.17Å; R85-N87 VanDerWaalsContact C-N 3.34Å; N87-L89 VanDerWaalsContact C-N 3.31Å; N87-L89 PolarHBondContact O-N 3.49Å; N87-M90 PolarHBondContact O-N 2.91Å; N87-M90 VanDerWaalsContact O-N 3.16Å; N87-E91 PolarHBondContact O-N 3.07Å
88	E	98.3	Very high	98.5	Very high	114 Å²	114	100.4 Å²	100.4	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-57.5	-43.4	175.1	-71.9	171.5	-171.4	0	0	111.7	N84 M90 E91 N92	N84-E88 WeakPolarHBondContact O-CG 3.49Å; N84-E88 PolarHBondContact O-N 3.31Å; E88-M90 VanDerWaalsContact C-N 3.35Å; E88-M90 PolarHBondContact O-N 3.39Å; E88-E91 PolarHBondContact O-N 3.02Å; E88-N92 WeakPolarHBondContact O-CB 3.33Å; E88-N92 VanDerWaalsContact O-CG 3.29Å; E88-N92 PolarHBondContact O-N 2.96Å; E88-N92 PolarHBondContact O-ND2 3.31Å
89	L	98.5	Very high	98.5	Very high	107 Å²	107	100.6 Å²	100.6	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-38.8	177.6	-73.3	172.8	0	0	0	112.4	R85 S86 N87 L93	R85-L89 HydrophobicContact CG-CD1 4.31Å; R85-L89 VanDerWaalsContact O-CG 3.28Å; R85-L89 WeakPolarHBondContact O-CG 3.47Å; R85-L89 PolarHBondContact O-N 3.26Å; R85-L89 VanDerWaalsContact O-N 3.07Å; S86-L89 PolarHBondContact O-N 3.17Å; N87-L89 VanDerWaalsContact C-N 3.31Å; N87-L89 PolarHBondContact O-N 3.49Å; L89-L93 WeakPolarHBondContact O-CB 3.41Å; L89-L93 PolarHBondContact O-N 2.98Å
90	M	98.2	Very high	98.5	Very high	118 Å²	118	99.3 Å²	99.3	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-67.1	-41	177.1	-74.9	-62	-59.4	0	0	112.2	S86 N87 E88 L93 A94	S86-M90 WeakPolarHBondContact O-CG 3.4Å; S86-M90 PolarHBondContact O-N 3.26Å; N87-M90 PolarHBondContact O-N 2.91Å; N87-M90 VanDerWaalsContact O-N 3.16Å; E88-M90 VanDerWaalsContact C-N 3.35Å; E88-M90 PolarHBondContact O-N 3.39Å; M90-L93 PolarHBondContact O-N 3.27Å; M90-A94 WeakPolarHBondContact O-CB 3.35Å; M90-A94 PolarHBondContact O-N 2.96Å
91	E	98.4	Very high	98.5	Very high	122 Å²	122	97.1 Å²	97.1	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-49.9	175.7	-175.2	171	-156.3	0	0	111.1	N87 E88 L93 A94 E95	N87-E91 PolarHBondContact O-N 3.07Å; E88-E91 PolarHBondContact O-N 3.02Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.43Å; E91-A94 WeakPolarHBondContact O-CB 3.25Å; E91-A94 PolarHBondContact O-N 2.97Å; E91-E95 WeakPolarHBondContact O-CG 3.49Å; E91-E95 PolarHBondContact O-N 2.89Å
92	N	98.4	Very high	98.5	Very high	96 Å²	96	94.5 Å²	94.5	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-57	-40.6	175.8	-76.5	-55.5	0	0	0	112.4	E88 D96	E88-N92 WeakPolarHBondContact O-CB 3.33Å; E88-N92 VanDerWaalsContact O-CG 3.29Å; E88-N92 PolarHBondContact O-N 2.96Å; E88-N92 PolarHBondContact O-ND2 3.31Å; N92-D96 WeakPolarHBondContact O-CB 3.44Å; N92-D96 PolarHBondContact O-N 3Å
93	L	98.5	Very high	98.5	Very high	91 Å²	91	95 Å²	95	48%	0.476	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-40.7	176.8	-178.8	63.9	0	0	0	111.6	L89 M90 E91 L97	L89-L93 WeakPolarHBondContact O-CB 3.41Å; L89-L93 PolarHBondContact O-N 2.98Å; M90-L93 PolarHBondContact O-N 3.27Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.43Å; L93-L97 HydrophobicContact CD1-CD1 4.44Å; L93-L97 HydrophobicContact CD1-CG 4.43Å; L93-L97 HydrophobicContact CG-CD1 4.22Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 2.93Å
94	A	98.3	Very high	98.5	Very high	59 Å²	59	99.1 Å²	99.1	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-43.5	177.1	0	0	0	0	0	111.5	M90 E91 L97 A98	M90-A94 WeakPolarHBondContact O-CB 3.35Å; M90-A94 PolarHBondContact O-N 2.96Å; E91-A94 WeakPolarHBondContact O-CB 3.25Å; E91-A94 PolarHBondContact O-N 2.97Å; A94-L97 PolarHBondContact O-N 3.26Å; A94-A98 WeakPolarHBondContact O-CB 3.39Å; A94-A98 PolarHBondContact O-N 3.49Å
95	E	98.4	Very high	98.5	Very high	116 Å²	116	100.2 Å²	100.2	54%	0.542	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-46.4	175.6	-70	-175.2	171.5	0	0	112.4	E91 L97 A98 Q99	E91-E95 WeakPolarHBondContact O-CG 3.49Å; E91-E95 PolarHBondContact O-N 2.89Å; E95-L97 PolarHBondContact O-N 2.92Å; E95-A98 PolarHBondContact O-N 3.39Å; E95-Q99 WeakPolarHBondContact O-CB 3.36Å; E95-Q99 PolarHBondContact O-N 3.13Å
96	D	98.6	Very high	98.5	Very high	56 Å²	56	97.1 Å²	97.1	30%	0.299	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-42.1	177.5	176.3	62.7	0	0	0	111.6	N92 Q99 K100	N92-D96 WeakPolarHBondContact O-CB 3.44Å; N92-D96 PolarHBondContact O-N 3Å; D96-Q99 PolarHBondContact O-N 3.21Å; D96-K100 WeakPolarHBondContact O-CB 3.36Å; D96-K100 WeakPolarHBondContact O-CG 3.34Å; D96-K100 PolarHBondContact O-N 3.45Å; D96-K100 VanDerWaalsContact OD1-CE 3.26Å; D96-K100 WeakPolarHBondContact OD1-CE 3.41Å; D96-K100 IonicContact OD1-NZ 3.69Å; D96-K100 PolarHBondContact OD1-NZ 2.95Å; D96-K100 WeakPolarHBondContact OD2-CE 3.45Å; D96-K100 IonicContact OD2-NZ 2.76Å; D96-K100 PolarHBondContact OD2-NZ 3.36Å
97	L	98.4	Very high	98.5	Very high	104 Å²	104	98.8 Å²	98.8	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175.3	-76	174	0	0	0	111.9	L93 A94 E95 K100 S101	L93-L97 HydrophobicContact CD1-CD1 4.44Å; L93-L97 HydrophobicContact CD1-CG 4.43Å; L93-L97 HydrophobicContact CG-CD1 4.22Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 2.93Å; A94-L97 PolarHBondContact O-N 3.26Å; E95-L97 PolarHBondContact O-N 2.92Å; L97-K100 PolarHBondContact O-N 3.39Å; L97-S101 WeakPolarHBondContact O-CB 3.43Å; L97-S101 PolarHBondContact O-N 3.06Å
98	A	98.3	Very high	98.5	Very high	63 Å²	63	97.7 Å²	97.7	52%	0.521	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.6	0	0	0	0	0	111.4	A94 E95 S101 S102	A94-A98 WeakPolarHBondContact O-CB 3.39Å; A94-A98 PolarHBondContact O-N 3.49Å; E95-A98 PolarHBondContact O-N 3.39Å; A98-S101 PolarHBondContact O-N 3.24Å; A98-S102 WeakPolarHBondContact O-CB 3.43Å; A98-S102 PolarHBondContact O-N 3.49Å
99	Q	98.6	Very high	98.5	Very high	101 Å²	101	95.3 Å²	95.3	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-43.3	178.2	-164.6	-177.9	37.1	0	0	112	E95 D96 S102 R103	E95-Q99 WeakPolarHBondContact O-CB 3.36Å; E95-Q99 PolarHBondContact O-N 3.13Å; D96-Q99 PolarHBondContact O-N 3.21Å; Q99-S102 PolarHBondContact O-N 2.97Å; Q99-R103 WeakPolarHBondContact O-CG 3.22Å; Q99-R103 PolarHBondContact O-N 3.25Å
100	K	98.6	Very high	98.5	Very high	104 Å²	104	97.3 Å²	97.3	45%	0.452	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-41	174.9	-78.2	172	177.2	164.5	0	112	D96 L97 R104	D96-K100 WeakPolarHBondContact O-CB 3.36Å; D96-K100 WeakPolarHBondContact O-CG 3.34Å; D96-K100 PolarHBondContact O-N 3.45Å; D96-K100 VanDerWaalsContact OD1-CE 3.26Å; D96-K100 WeakPolarHBondContact OD1-CE 3.41Å; D96-K100 IonicContact OD1-NZ 3.69Å; D96-K100 PolarHBondContact OD1-NZ 2.95Å; D96-K100 WeakPolarHBondContact OD2-CE 3.45Å; D96-K100 IonicContact OD2-NZ 2.76Å; D96-K100 PolarHBondContact OD2-NZ 3.36Å; L97-K100 PolarHBondContact O-N 3.39Å; K100-R104 WeakPolarHBondContact O-CB 3.37Å; K100-R104 PolarHBondContact O-N 2.88Å
101	S	98.6	Very high	98.5	Very high	76 Å²	76	96.2 Å²	96.2	53%	0.531	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-48	175.1	-170.5	0	0	0	0	111.3	L97 A98 R103 R104 Q105	L97-S101 WeakPolarHBondContact O-CB 3.43Å; L97-S101 PolarHBondContact O-N 3.06Å; A98-S101 PolarHBondContact O-N 3.24Å; S101-R103 PolarHBondContact O-N 3.11Å; S101-R104 WeakPolarHBondContact O-CB 3.26Å; S101-R104 PolarHBondContact O-N 3.16Å; S101-Q105 PolarHBondContact O-N 3.46Å
102	S	98.6	Very high	98.5	Very high	62 Å²	62	93.9 Å²	93.9	43%	0.434	48%	0.478	S	S	.	.	H	α-helix	trans	-58.7	-47.1	176.4	-177.5	0	0	0	0	112.4	A98 Q99 R104 Q105 Q106	A98-S102 WeakPolarHBondContact O-CB 3.43Å; A98-S102 PolarHBondContact O-N 3.49Å; Q99-S102 PolarHBondContact O-N 2.97Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.3Å; S102-Q105 PolarHBondContact O-N 2.92Å; S102-Q106 WeakPolarHBondContact O-CG 3.4Å; S102-Q106 PolarHBondContact O-N 3.46Å
103	R	98.5	Very high	98.5	Very high	126 Å²	126	93.3 Å²	93.3	48%	0.475	48%	0.475	S	S	.	.	H	α-helix	trans	-60.4	-41.6	176.4	-73.4	177.9	-173.1	161.5	6.1	112.1	Q99 S101 Q106 I107	Q99-R103 WeakPolarHBondContact O-CG 3.22Å; Q99-R103 PolarHBondContact O-N 3.25Å; S101-R103 PolarHBondContact O-N 3.11Å; R103-Q106 PolarHBondContact O-N 3.04Å; R103-I107 WeakPolarHBondContact O-CG1 3.36Å; R103-I107 PolarHBondContact O-N 3.06Å; R103-I107 VanDerWaalsContact O-N 3.09Å
104	R	98.6	Very high	98.5	Very high	168 Å²	168	91.8 Å²	91.8	63%	0.634	47%	0.472	S	S	*	.	H	α-helix	trans	-61.3	-45.9	176.3	-171.5	-172.1	-52.6	-85.5	-2.5	110.9	K100 S101 S102 Q106 I107 I108	K100-R104 WeakPolarHBondContact O-CB 3.37Å; K100-R104 PolarHBondContact O-N 2.88Å; S101-R104 WeakPolarHBondContact O-CB 3.26Å; S101-R104 PolarHBondContact O-N 3.16Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.3Å; R104-Q106 PolarHBondContact O-N 3.48Å; R104-I107 PolarHBondContact O-N 3.39Å; R104-I108 HydrophobicContact CG-CD1 4.07Å; R104-I108 WeakPolarHBondContact O-CG1 3.34Å; R104-I108 PolarHBondContact O-N 3.23Å
105	Q	98.5	Very high	98.4	Very high	97 Å²	97	93 Å²	93	45%	0.453	47%	0.47	S	S	.	.	H	α-helix	trans	-60.7	-45	177.8	-170.8	58.8	47.5	0	0	111.4	S101 S102 I107 I108 D109	S101-Q105 PolarHBondContact O-N 3.46Å; S102-Q105 PolarHBondContact O-N 2.92Å; Q105-I107 VanDerWaalsContact C-N 3.3Å; Q105-I107 PolarHBondContact O-N 2.88Å; Q105-I108 PolarHBondContact O-N 3.38Å; Q105-I108 VanDerWaalsContact O-N 3.17Å; Q105-D109 PolarHBondContact NE2-OD1 3.01Å; Q105-D109 WeakPolarHBondContact O-CB 3.39Å; Q105-D109 PolarHBondContact O-N 2.86Å
106	Q	98.5	Very high	98.4	Very high	104 Å²	104	93.2 Å²	93.2	49%	0.486	47%	0.469	S	S	.	.	H	α-helix	trans	-59.4	-38.3	176.5	-70.2	174	6.3	0	0	113.1	S102 R103 R104 K110	S102-Q106 WeakPolarHBondContact O-CG 3.4Å; S102-Q106 PolarHBondContact O-N 3.46Å; R103-Q106 PolarHBondContact O-N 3.04Å; R104-Q106 PolarHBondContact O-N 3.48Å; Q106-K110 VanDerWaalsContact O-CG 3.28Å; Q106-K110 WeakPolarHBondContact O-CG 3.47Å; Q106-K110 PolarHBondContact O-N 3.4Å
107	I	98.6	Very high	98.4	Very high	99 Å²	99	97 Å²	97	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-46	176.2	-67.9	165.6	0	0	0	110.3	R103 R104 Q105 D109 K110 I111	R103-I107 WeakPolarHBondContact O-CG1 3.36Å; R103-I107 PolarHBondContact O-N 3.06Å; R103-I107 VanDerWaalsContact O-N 3.09Å; R104-I107 PolarHBondContact O-N 3.39Å; Q105-I107 VanDerWaalsContact C-N 3.3Å; Q105-I107 PolarHBondContact O-N 2.88Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 3.09Å; I107-K110 PolarHBondContact O-N 3.31Å; I107-I111 HydrophobicContact CG2-CD1 3.99Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.22Å
108	I	98.5	Very high	98.4	Very high	68 Å²	68	97.8 Å²	97.8	35%	0.349	48%	0.484	S	S	.	.	H	α-helix	trans	-58.7	-47	177	-69.8	168.1	0	0	0	110.2	R104 Q105 K110 I111 I112	R104-I108 HydrophobicContact CG-CD1 4.07Å; R104-I108 WeakPolarHBondContact O-CG1 3.34Å; R104-I108 PolarHBondContact O-N 3.23Å; Q105-I108 PolarHBondContact O-N 3.38Å; Q105-I108 VanDerWaalsContact O-N 3.17Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 3.46Å; I108-I111 PolarHBondContact O-N 3.4Å; I108-I111 VanDerWaalsContact O-N 3.16Å; I108-I112 HydrophobicContact CG2-CD1 3.6Å; I108-I112 HydrophobicContact CG2-CG1 4.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.48Å
109	D	98.5	Very high	98.3	Very high	65 Å²	65	98.6 Å²	98.6	35%	0.348	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-39	179.6	-66.5	-21.4	0	0	0	111.8	Q105 I107 I112 N113	Q105-D109 PolarHBondContact NE2-OD1 3.01Å; Q105-D109 WeakPolarHBondContact O-CB 3.39Å; Q105-D109 PolarHBondContact O-N 2.86Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 3.09Å; D109-I112 PolarHBondContact O-N 2.84Å; D109-N113 VanDerWaalsContact O-CB 3.25Å; D109-N113 WeakPolarHBondContact O-CB 3.38Å; D109-N113 PolarHBondContact O-N 3.17Å; D109-N113 PolarHBondContact O-ND2 2.85Å; D109-N113 VanDerWaalsContact O-ND2 3.11Å
110	K	98.4	Very high	98.3	Very high	149 Å²	149	99.4 Å²	99.4	65%	0.648	49%	0.486	S	S	*	.	H	α-helix	trans	-61.2	-45.4	173.8	-77	174.8	-176.9	-179.1	0	111.8	Q106 I107 I108 N113 S114	Q106-K110 VanDerWaalsContact O-CG 3.28Å; Q106-K110 WeakPolarHBondContact O-CG 3.47Å; Q106-K110 PolarHBondContact O-N 3.4Å; I107-K110 PolarHBondContact O-N 3.31Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 3.46Å; K110-N113 PolarHBondContact O-N 3.27Å; K110-S114 WeakPolarHBondContact O-CB 3.34Å; K110-S114 PolarHBondContact O-N 3.39Å
111	I	98.5	Very high	98.2	Very high	94 Å²	94	101.2 Å²	101.2	48%	0.482	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-48.5	178	-66.6	166.9	0	0	0	110.3	I107 I108 N113 S114 N115	I107-I111 HydrophobicContact CG2-CD1 3.99Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.22Å; I108-I111 PolarHBondContact O-N 3.4Å; I108-I111 VanDerWaalsContact O-N 3.16Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 PolarHBondContact O-N 2.96Å; I111-S114 PolarHBondContact O-N 2.87Å; I111-N115 PolarHBondContact O-N 3.38Å
112	I	98.3	Very high	98.2	Very high	73 Å²	73	100.4 Å²	100.4	37%	0.374	49%	0.492	S	S	.	.	H	α-helix	trans	-58.2	-46.4	178.4	-70.9	172.8	0	0	0	110.6	I108 D109 S114 N115 K116	I108-I112 HydrophobicContact CG2-CD1 3.6Å; I108-I112 HydrophobicContact CG2-CG1 4.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.35Å; I108-I112 PolarHBondContact O-N 3.48Å; D109-I112 PolarHBondContact O-N 2.84Å; I112-S114 PolarHBondContact O-N 2.93Å; I112-N115 PolarHBondContact O-N 2.91Å; I112-K116 HydrophobicContact CG2-CD 4.1Å; I112-K116 HydrophobicContact CG2-CG 4.41Å; I112-K116 WeakPolarHBondContact O-CB 3.28Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 2.9Å
113	N	98.2	Very high	98.1	Very high	85 Å²	85	103.7 Å²	103.7	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-67.5	-35.3	-179.3	-72.7	-27.6	0	0	0	112.5	D109 K110 I111 K117	D109-N113 VanDerWaalsContact O-CB 3.25Å; D109-N113 WeakPolarHBondContact O-CB 3.38Å; D109-N113 PolarHBondContact O-N 3.17Å; D109-N113 PolarHBondContact O-ND2 2.85Å; D109-N113 VanDerWaalsContact O-ND2 3.11Å; K110-N113 PolarHBondContact O-N 3.27Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 PolarHBondContact O-N 2.96Å; N113-K117 WeakPolarHBondContact O-CG 3.28Å; N113-K117 PolarHBondContact O-N 3Å
114	S	98.1	Very high	98	Very high	59 Å²	59	103.4 Å²	103.4	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-50.2	172.6	-166.4	0	0	0	0	111.1	K110 I111 I112 K116 K117 E118	K110-S114 WeakPolarHBondContact O-CB 3.34Å; K110-S114 PolarHBondContact O-N 3.39Å; I111-S114 PolarHBondContact O-N 2.87Å; I112-S114 PolarHBondContact O-N 2.93Å; S114-K116 VanDerWaalsContact C-N 3.33Å; S114-K116 PolarHBondContact O-N 3.36Å; S114-K117 WeakPolarHBondContact O-CB 3.46Å; S114-K117 PolarHBondContact O-N 3.42Å; S114-K117 VanDerWaalsContact O-N 3.13Å; S114-E118 PolarHBondContact O-N 3.45Å
115	N	98	Very high	97.8	Very high	84 Å²	84	100.3 Å²	100.3	45%	0.449	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-38.2	-179.5	-68.5	-3.8	0	0	0	112	I111 I112 K117 E118 V119	I111-N115 PolarHBondContact O-N 3.38Å; I112-N115 PolarHBondContact O-N 2.91Å; N115-K117 VanDerWaalsContact C-N 3.34Å; N115-K117 PolarHBondContact O-N 2.88Å; N115-E118 PolarHBondContact O-N 2.96Å; N115-V119 WeakPolarHBondContact O-CG2 3.32Å; N115-V119 PolarHBondContact O-N 2.66Å
116	K	98.1	Very high	97.6	Very high	120 Å²	120	98.4 Å²	98.4	52%	0.522	50%	0.501	S	S	.	.	H	α-helix	trans	-57.6	-45.7	173	-79.5	178.5	178.1	179.1	0	111.7	I112 S114 E118 V119 E120	I112-K116 HydrophobicContact CG2-CD 4.1Å; I112-K116 HydrophobicContact CG2-CG 4.41Å; I112-K116 WeakPolarHBondContact O-CB 3.28Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 2.9Å; S114-K116 VanDerWaalsContact C-N 3.33Å; S114-K116 PolarHBondContact O-N 3.36Å; K116-E118 VanDerWaalsContact C-N 3.34Å; K116-E118 PolarHBondContact O-N 3.2Å; K116-V119 PolarHBondContact O-N 3.49Å; K116-E120 WeakPolarHBondContact O-CG 3.43Å; K116-E120 PolarHBondContact O-N 2.96Å
117	K	97.9	Very high	97.4	Very high	136 Å²	136	98.7 Å²	98.7	59%	0.591	51%	0.507	S	S	*	.	H	α-helix	trans	-63.4	-38.5	177.2	-71.5	175.7	-179.2	-176.9	0	112.3	N113 S114 N115 E120 K121	N113-K117 WeakPolarHBondContact O-CG 3.28Å; N113-K117 PolarHBondContact O-N 3Å; S114-K117 WeakPolarHBondContact O-CB 3.46Å; S114-K117 PolarHBondContact O-N 3.42Å; S114-K117 VanDerWaalsContact O-N 3.13Å; N115-K117 VanDerWaalsContact C-N 3.34Å; N115-K117 PolarHBondContact O-N 2.88Å; K117-E120 PolarHBondContact O-N 3.46Å; K117-K121 VanDerWaalsContact O-CG 3.31Å; K117-K121 WeakPolarHBondContact O-CG 3.42Å; K117-K121 PolarHBondContact O-N 2.91Å
118	E	97.8	Very high	97.1	Very high	120 Å²	120	97.1 Å²	97.1	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-66.3	-42.2	175.6	-70.3	-175.2	172.1	0	0	112	S114 N115 K116 K121 A122	S114-E118 PolarHBondContact O-N 3.45Å; N115-E118 PolarHBondContact O-N 2.96Å; K116-E118 VanDerWaalsContact C-N 3.34Å; K116-E118 PolarHBondContact O-N 3.2Å; E118-K121 PolarHBondContact O-N 2.96Å; E118-A122 PolarHBondContact O-N 2.78Å
119	V	97.9	Very high	96.8	Very high	80 Å²	80	102.5 Å²	102.5	49%	0.485	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-42.3	174.7	169.9	0	0	0	0	111.3	N115 K116 A122 K123	N115-V119 WeakPolarHBondContact O-CG2 3.32Å; N115-V119 PolarHBondContact O-N 2.66Å; K116-V119 PolarHBondContact O-N 3.49Å; V119-A122 PolarHBondContact O-N 3Å; V119-K123 HydrophobicContact CG1-CD 4.44Å; V119-K123 WeakPolarHBondContact O-CG 3.32Å; V119-K123 PolarHBondContact O-N 3.28Å
120	E	97.9	Very high	96.4	Very high	119 Å²	119	102 Å²	102	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-61.4	-44.3	174.9	-76.5	174.2	177.5	0	0	111.8	K116 K117 A122 K123 L124	K116-E120 WeakPolarHBondContact O-CG 3.43Å; K116-E120 PolarHBondContact O-N 2.96Å; K117-E120 PolarHBondContact O-N 3.46Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 2.99Å; E120-K123 PolarHBondContact O-N 3.46Å; E120-L124 WeakPolarHBondContact O-CG 3.4Å; E120-L124 PolarHBondContact O-N 3.27Å
121	K	97.5	Very high	95.9	Very high	142 Å²	142	98.6 Å²	98.6	62%	0.617	52%	0.523	S	S	*	.	H	α-helix	trans	-59.3	-43	173.5	-73.6	174.7	-177.7	-178.3	0	112	K117 E118 L124 L125	K117-K121 VanDerWaalsContact O-CG 3.31Å; K117-K121 WeakPolarHBondContact O-CG 3.42Å; K117-K121 PolarHBondContact O-N 2.91Å; E118-K121 PolarHBondContact O-N 2.96Å; K121-L124 PolarHBondContact O-N 3.44Å; K121-L125 WeakPolarHBondContact O-CG 3.48Å; K121-L125 PolarHBondContact O-N 2.96Å
122	A	97.1	Very high	95.6	Very high	59 Å²	59	97.8 Å²	97.8	49%	0.488	53%	0.525	S	S	.	.	H	α-helix	trans	-63.7	-40.5	178.2	0	0	0	0	0	112	E118 V119 E120 L125 A126	E118-A122 PolarHBondContact O-N 2.78Å; V119-A122 PolarHBondContact O-N 3Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 2.99Å; A122-L125 PolarHBondContact O-N 3.43Å; A122-A126 WeakPolarHBondContact O-CB 3.34Å; A122-A126 PolarHBondContact O-N 2.99Å
123	K	96.5	Very high	95.3	Very high	131 Å²	131	100.4 Å²	100.4	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-48.8	174.1	-73.8	178.4	177.9	-176	0	111.8	V119 E120 L125 A126 D127	V119-K123 HydrophobicContact CG1-CD 4.44Å; V119-K123 WeakPolarHBondContact O-CG 3.32Å; V119-K123 PolarHBondContact O-N 3.28Å; E120-K123 PolarHBondContact O-N 3.46Å; K123-L125 VanDerWaalsContact C-N 3.28Å; K123-L125 PolarHBondContact O-N 3.06Å; K123-A126 WeakPolarHBondContact O-CB 3.39Å; K123-A126 PolarHBondContact O-N 2.98Å; K123-A126 VanDerWaalsContact O-N 3.07Å; K123-D127 PolarHBondContact O-N 3.07Å
124	L	96	Very high	94.9	Very high	120 Å²	120	100 Å²	100	63%	0.628	54%	0.539	S	S	*	.	H	α-helix	trans	-58.4	-40.2	177.3	-70.1	173.2	0	0	0	112.3	E120 K121 A128	E120-L124 WeakPolarHBondContact O-CG 3.4Å; E120-L124 PolarHBondContact O-N 3.27Å; K121-L124 PolarHBondContact O-N 3.44Å; L124-A128 VanDerWaalsContact O-CB 3.23Å; L124-A128 WeakPolarHBondContact O-CB 3.35Å; L124-A128 PolarHBondContact O-N 3.49Å
125	L	95.2	Very high	94.7	Very high	103 Å²	103	99.5 Å²	99.5	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-67.8	-37.1	175.5	-73.3	172.3	0	0	0	112.7	K121 A122 K123 R129	K121-L125 WeakPolarHBondContact O-CG 3.48Å; K121-L125 PolarHBondContact O-N 2.96Å; A122-L125 PolarHBondContact O-N 3.43Å; K123-L125 VanDerWaalsContact C-N 3.28Å; K123-L125 PolarHBondContact O-N 3.06Å; L125-R129 VanDerWaalsContact O-CG 3.28Å; L125-R129 WeakPolarHBondContact O-CG 3.36Å; L125-R129 PolarHBondContact O-N 2.93Å
126	A	94.7	Very high	94.6	Very high	56 Å²	56	100.1 Å²	100.1	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-46.7	175.8	0	0	0	0	0	111.1	A122 K123 A128 R129 A130	A122-A126 WeakPolarHBondContact O-CB 3.34Å; A122-A126 PolarHBondContact O-N 2.99Å; K123-A126 WeakPolarHBondContact O-CB 3.39Å; K123-A126 PolarHBondContact O-N 2.98Å; K123-A126 VanDerWaalsContact O-N 3.07Å; A126-A128 PolarHBondContact O-N 3.42Å; A126-R129 PolarHBondContact O-N 2.97Å; A126-R129 VanDerWaalsContact O-N 3.17Å; A126-A130 PolarHBondContact O-N 3.45Å
127	D	93.1	Very high	94.5	Very high	111 Å²	111	99.6 Å²	99.6	59%	0.594	54%	0.539	S	S	*	.	H	α-helix	trans	-63.6	-43	178.5	-66.1	-22	0	0	0	111.5	K123 R129 A130 S131	K123-D127 PolarHBondContact O-N 3.07Å; D127-R129 PolarHBondContact O-N 3.17Å; D127-A130 PolarHBondContact O-N 3.38Å; D127-S131 PolarHBondContact O-N 2.94Å
128	A	92.2	Very high	94.4	Very high	65 Å²	65	100.6 Å²	100.6	54%	0.537	54%	0.539	S	S	.	.	H	α-helix	trans	-62.3	-27.3	176.2	0	0	0	0	0	113.2	L124 A126 P132	L124-A128 VanDerWaalsContact O-CB 3.23Å; L124-A128 WeakPolarHBondContact O-CB 3.35Å; L124-A128 PolarHBondContact O-N 3.49Å; A126-A128 PolarHBondContact O-N 3.42Å; A128-P132 WeakPolarHBondContact O-CD 3.43Å; A128-P132 WeakPolarHBondContact O-CG 3.5Å
129	R	92	Very high	94.4	Very high	182 Å²	182	100.1 Å²	100.1	69%	0.687	54%	0.537	S	S	*	.	H	α-helix	trans	-84.7	-35.9	175.6	-73.2	172.6	179.9	-176.8	0.7	112.7	L125 A126 D127 S131 P132 Q133	L125-R129 VanDerWaalsContact O-CG 3.28Å; L125-R129 WeakPolarHBondContact O-CG 3.36Å; L125-R129 PolarHBondContact O-N 2.93Å; A126-R129 PolarHBondContact O-N 2.97Å; A126-R129 VanDerWaalsContact O-N 3.17Å; D127-R129 PolarHBondContact O-N 3.17Å; R129-S131 VanDerWaalsContact C-N 3.35Å; R129-S131 PolarHBondContact O-N 2.92Å; R129-P132 WeakPolarHBondContact O-CD 3.48Å; R129-Q133 WeakPolarHBondContact O-CB 3.34Å; R129-Q133 PolarHBondContact O-N 3.47Å
130	A	91	Very high	94.3	Very high	53 Å²	53	100.3 Å²	100.3	44%	0.438	53%	0.534	S	S	.	.	H	α-helix	trans	-63.6	-38.5	-177.3	0	0	0	0	0	112.5	A126 D127 Q133 S134	A126-A130 PolarHBondContact O-N 3.45Å; D127-A130 PolarHBondContact O-N 3.38Å; A130-Q133 PolarHBondContact O-N 2.71Å; A130-S134 VanDerWaalsContact O-CB 3.29Å; A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 3.37Å
131	S	87.4	Confident	94.3	Very high	78 Å²	78	99.6 Å²	99.6	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-66.3	-50.8	-178	169.9	0	0	0	0	113.7	D127 R129 Q133 S134 T135	D127-S131 PolarHBondContact O-N 2.94Å; R129-S131 VanDerWaalsContact C-N 3.35Å; R129-S131 PolarHBondContact O-N 2.92Å; S131-Q133 VanDerWaalsContact C-N 3.34Å; S131-Q133 PolarHBondContact O-N 3.22Å; S131-S134 PolarHBondContact O-N 3.13Å; S131-T135 WeakPolarHBondContact O-CB 3.44Å; S131-T135 PolarHBondContact O-N 3.16Å; S131-T135 PolarHBondContact O-OG1 3.25Å
132	P	91.9	Very high	94.3	Very high	78 Å²	78	96.6 Å²	96.6	51%	0.506	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-39	173.2	-24.9	34.5	0	0	0	113	A128 R129 T135 L136	A128-P132 WeakPolarHBondContact O-CD 3.43Å; A128-P132 WeakPolarHBondContact O-CG 3.5Å; R129-P132 WeakPolarHBondContact O-CD 3.48Å; P132-T135 PolarHBondContact O-N 3.05Å; P132-L136 WeakPolarHBondContact O-CB 3.38Å; P132-L136 PolarHBondContact O-N 3.46Å
133	Q	92.4	Very high	94.4	Very high	127 Å²	127	97.4 Å²	97.4	59%	0.593	52%	0.521	S	S	*	.	H	α-helix	trans	-64.3	-44.7	179.3	-173	176.7	4.9	0	0	111.8	R129 A130 S131 T135 L136 L137	R129-Q133 WeakPolarHBondContact O-CB 3.34Å; R129-Q133 PolarHBondContact O-N 3.47Å; A130-Q133 PolarHBondContact O-N 2.71Å; S131-Q133 VanDerWaalsContact C-N 3.34Å; S131-Q133 PolarHBondContact O-N 3.22Å; Q133-T135 VanDerWaalsContact C-N 3.34Å; Q133-L136 PolarHBondContact O-N 3.47Å; Q133-L137 HydrophobicContact CG-CD1 4.45Å; Q133-L137 WeakPolarHBondContact O-CG 3.48Å; Q133-L137 PolarHBondContact O-N 2.85Å
134	S	91	Very high	94.5	Very high	78 Å²	78	96.1 Å²	96.1	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-42.3	174.6	-179.6	0	0	0	0	111.7	A130 S131 L137 R138	A130-S134 VanDerWaalsContact O-CB 3.29Å; A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 3.37Å; S131-S134 PolarHBondContact O-N 3.13Å; S134-L137 PolarHBondContact O-N 2.88Å; S134-R138 PolarHBondContact O-N 2.94Å
135	T	93.4	Very high	94.6	Very high	48 Å²	48	93.2 Å²	93.2	29%	0.294	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-44.9	177.4	-57.3	0	0	0	0	111.7	S131 P132 Q133 R138 Q139	S131-T135 WeakPolarHBondContact O-CB 3.44Å; S131-T135 PolarHBondContact O-N 3.16Å; S131-T135 PolarHBondContact O-OG1 3.25Å; P132-T135 PolarHBondContact O-N 3.05Å; Q133-T135 VanDerWaalsContact C-N 3.34Å; T135-R138 PolarHBondContact O-N 3.07Å; T135-Q139 WeakPolarHBondContact O-CG 3.35Å; T135-Q139 PolarHBondContact O-N 3.37Å
136	L	95.4	Very high	94.7	Very high	97 Å²	97	92.7 Å²	92.7	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-64.6	-42.3	178.2	-177.4	64.1	0	0	0	111.7	P132 Q133 R138 Q139 I140	P132-L136 WeakPolarHBondContact O-CB 3.38Å; P132-L136 PolarHBondContact O-N 3.46Å; Q133-L136 PolarHBondContact O-N 3.47Å; L136-R138 VanDerWaalsContact C-N 3.32Å; L136-R138 PolarHBondContact O-N 2.99Å; L136-Q139 PolarHBondContact O-N 3.39Å; L136-I140 HydrophobicContact CD1-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.07Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 3.25Å
137	L	95.9	Very high	94.9	Very high	108 Å²	108	95.7 Å²	95.7	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-61	-41.5	175.4	-75.1	171.8	0	0	0	111.8	Q133 S134 I140 N141	Q133-L137 HydrophobicContact CG-CD1 4.45Å; Q133-L137 WeakPolarHBondContact O-CG 3.48Å; Q133-L137 PolarHBondContact O-N 2.85Å; S134-L137 PolarHBondContact O-N 2.88Å; L137-I140 PolarHBondContact O-N 3.04Å; L137-N141 WeakPolarHBondContact O-CB 3.41Å; L137-N141 PolarHBondContact O-N 2.96Å
138	R	95.7	Very high	95.1	Very high	157 Å²	157	93.2 Å²	93.2	59%	0.592	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-46.6	174.1	-173.3	179.3	64.4	-178.4	-1	111.5	S134 T135 L136 I140 N141 D142	S134-R138 PolarHBondContact O-N 2.94Å; T135-R138 PolarHBondContact O-N 3.07Å; L136-R138 VanDerWaalsContact C-N 3.32Å; L136-R138 PolarHBondContact O-N 2.99Å; R138-I140 VanDerWaalsContact C-N 3.34Å; R138-I140 PolarHBondContact O-N 3.44Å; R138-N141 PolarHBondContact O-N 3.07Å; R138-N141 VanDerWaalsContact O-N 3.16Å; R138-D142 VanDerWaalsContact O-CG 3.24Å; R138-D142 PolarHBondContact O-N 3.45Å
139	Q	97.4	Very high	95.4	Very high	111 Å²	111	94.2 Å²	94.2	52%	0.519	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-41.8	177.2	-73.9	173.7	-18	0	0	112.7	T135 L136 N141 D142 D143	T135-Q139 WeakPolarHBondContact O-CG 3.35Å; T135-Q139 PolarHBondContact O-N 3.37Å; L136-Q139 PolarHBondContact O-N 3.39Å; Q139-N141 VanDerWaalsContact C-N 3.34Å; Q139-D142 PolarHBondContact O-N 3.48Å; Q139-D143 WeakPolarHBondContact O-CB 3.48Å; Q139-D143 PolarHBondContact O-N 3.43Å
140	I	97.6	Very high	95.7	Very high	84 Å²	84	91.1 Å²	91.1	43%	0.431	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-44.1	175.2	-69.6	165.4	0	0	0	110.4	L136 L137 R138 D143 L144	L136-I140 HydrophobicContact CD1-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.07Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 3.25Å; L137-I140 PolarHBondContact O-N 3.04Å; R138-I140 VanDerWaalsContact C-N 3.34Å; R138-I140 PolarHBondContact O-N 3.44Å; I140-D143 PolarHBondContact O-N 3.31Å; I140-L144 HydrophobicContact CG2-CD1 4.03Å; I140-L144 HydrophobicContact CG2-CG 4.42Å; I140-L144 WeakPolarHBondContact O-CB 3.36Å; I140-L144 VanDerWaalsContact O-CG 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.38Å; I140-L144 PolarHBondContact O-N 2.9Å
141	N	97.7	Very high	96	Very high	104 Å²	104	94.6 Å²	94.6	56%	0.556	49%	0.49	S	S	*	.	H	α-helix	trans	-64.2	-42	179.2	-172.9	75.5	0	0	0	112.2	L137 R138 Q139 L144 S145	L137-N141 WeakPolarHBondContact O-CB 3.41Å; L137-N141 PolarHBondContact O-N 2.96Å; R138-N141 PolarHBondContact O-N 3.07Å; R138-N141 VanDerWaalsContact O-N 3.16Å; Q139-N141 VanDerWaalsContact C-N 3.34Å; N141-L144 PolarHBondContact O-N 3.44Å; N141-S145 WeakPolarHBondContact O-CB 3.46Å; N141-S145 PolarHBondContact O-N 3.44Å
142	D	97.8	Very high	96.5	Very high	79 Å²	79	97.7 Å²	97.7	42%	0.422	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-43	176.8	-64.4	-18.8	0	0	0	111.2	R138 Q139 S145 N146	R138-D142 VanDerWaalsContact O-CG 3.24Å; R138-D142 PolarHBondContact O-N 3.45Å; Q139-D142 PolarHBondContact O-N 3.48Å; D142-S145 PolarHBondContact O-N 3.45Å; D142-N146 WeakPolarHBondContact O-CB 3.31Å; D142-N146 VanDerWaalsContact O-CG 3.22Å; D142-N146 PolarHBondContact O-N 2.96Å; D142-N146 PolarHBondContact O-ND2 2.96Å
143	D	98.2	Very high	96.8	Very high	75 Å²	75	97.4 Å²	97.4	40%	0.401	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.7	-178.7	60.2	0	0	0	112.2	Q139 I140 N146 K147	Q139-D143 WeakPolarHBondContact O-CB 3.48Å; Q139-D143 PolarHBondContact O-N 3.43Å; I140-D143 PolarHBondContact O-N 3.31Å; D143-N146 PolarHBondContact O-N 2.91Å; D143-K147 WeakPolarHBondContact O-CB 3.32Å; D143-K147 WeakPolarHBondContact O-CG 3.49Å; D143-K147 PolarHBondContact O-N 3.31Å; D143-K147 IonicContact OD1-NZ 2.67Å; D143-K147 WeakPolarHBondContact OD2-CE 3.4Å; D143-K147 IonicContact OD2-NZ 2.83Å; D143-K147 PolarHBondContact OD2-NZ 2.97Å
144	L	98.1	Very high	97.1	Very high	104 Å²	104	97 Å²	97	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.5	-73.5	175.2	0	0	0	111.9	I140 N141 K147 E148	I140-L144 HydrophobicContact CG2-CD1 4.03Å; I140-L144 HydrophobicContact CG2-CG 4.42Å; I140-L144 WeakPolarHBondContact O-CB 3.36Å; I140-L144 VanDerWaalsContact O-CG 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.38Å; I140-L144 PolarHBondContact O-N 2.9Å; N141-L144 PolarHBondContact O-N 3.44Å; L144-K147 PolarHBondContact O-N 3.39Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 3.15Å
145	S	97.8	Very high	97.4	Very high	60 Å²	60	97.1 Å²	97.1	42%	0.42	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-44.7	176.3	-170.2	0	0	0	0	111.5	N141 D142 E148 N149	N141-S145 WeakPolarHBondContact O-CB 3.46Å; N141-S145 PolarHBondContact O-N 3.44Å; D142-S145 PolarHBondContact O-N 3.45Å; S145-E148 PolarHBondContact O-N 3Å; S145-N149 WeakPolarHBondContact O-CB 3.49Å; S145-N149 VanDerWaalsContact O-CG 3.27Å; S145-N149 PolarHBondContact O-N 2.91Å; S145-N149 PolarHBondContact O-ND2 3.26Å
146	N	97.9	Very high	97.7	Very high	91 Å²	91	101.4 Å²	101.4	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-43.7	177.4	-72.9	-28	0	0	0	112.3	D142 D143 E148 N149 N150	D142-N146 WeakPolarHBondContact O-CB 3.31Å; D142-N146 VanDerWaalsContact O-CG 3.22Å; D142-N146 PolarHBondContact O-N 2.96Å; D142-N146 PolarHBondContact O-ND2 2.96Å; D143-N146 PolarHBondContact O-N 2.91Å; N146-E148 VanDerWaalsContact C-N 3.34Å; N146-E148 PolarHBondContact O-N 2.92Å; N146-N149 PolarHBondContact O-N 2.94Å; N146-N150 WeakPolarHBondContact O-CB 3.43Å; N146-N150 VanDerWaalsContact O-CG 3.24Å; N146-N150 PolarHBondContact O-N 3.39Å; N146-N150 PolarHBondContact O-ND2 2.88Å
147	K	98.3	Very high	97.8	Very high	120 Å²	120	100.6 Å²	100.6	52%	0.522	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-42.9	175	-77.9	171.3	176	165.1	0	111.9	D143 L144 N150 R151	D143-K147 WeakPolarHBondContact O-CB 3.32Å; D143-K147 WeakPolarHBondContact O-CG 3.49Å; D143-K147 PolarHBondContact O-N 3.31Å; D143-K147 IonicContact OD1-NZ 2.67Å; D143-K147 WeakPolarHBondContact OD2-CE 3.4Å; D143-K147 IonicContact OD2-NZ 2.83Å; D143-K147 PolarHBondContact OD2-NZ 2.97Å; L144-K147 PolarHBondContact O-N 3.39Å; K147-N150 PolarHBondContact O-N 2.92Å; K147-R151 WeakPolarHBondContact O-CB 3.32Å; K147-R151 PolarHBondContact O-N 2.8Å
148	E	98.1	Very high	97.9	Very high	58 Å²	58	98.8 Å²	98.8	27%	0.271	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-41.1	177.1	175.7	57	-164.9	0	0	112	L144 S145 N146 R151 R152	L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 3.15Å; S145-E148 PolarHBondContact O-N 3Å; N146-E148 VanDerWaalsContact C-N 3.34Å; N146-E148 PolarHBondContact O-N 2.92Å; E148-R151 VanDerWaalsContact CD-NH2 3.31Å; E148-R151 PolarHBondContact O-N 3Å; E148-R151 IonicContact OE1-CZ 3.78Å; E148-R151 IonicContact OE1-NE 3.1Å; E148-R151 IonicContact OE1-NH2 3.34Å; E148-R151 PolarHBondContact OE1-NH2 3.47Å; E148-R151 IonicContact OE2-CZ 3.49Å; E148-R151 IonicContact OE2-NE 3.58Å; E148-R151 PolarHBondContact OE2-NE 3.43Å; E148-R151 IonicContact OE2-NH2 2.71Å; E148-R151 PolarHBondContact OE2-NH2 2.83Å; E148-R151 VanDerWaalsContact OE2-NH2 3.1Å; E148-R152 WeakPolarHBondContact O-CG 3.49Å; E148-R152 PolarHBondContact O-N 3.23Å; E148-R152 IonicContact OE1-CZ 3.51Å; E148-R152 IonicContact OE1-NE 2.64Å; E148-R152 PolarHBondContact OE1-NE 3.5Å; E148-R152 IonicContact OE1-NH2 2.8Å; E148-R152 PolarHBondContact OE1-NH2 3.28Å
149	N	97.9	Very high	98	Very high	86 Å²	86	95 Å²	95	46%	0.46	48%	0.479	S	S	.	.	H	α-helix	trans	-62.9	-44.6	174.9	-71.9	-26.9	0	0	0	111.8	S145 N146 R151 R152 S153	S145-N149 WeakPolarHBondContact O-CB 3.49Å; S145-N149 VanDerWaalsContact O-CG 3.27Å; S145-N149 PolarHBondContact O-N 2.91Å; S145-N149 PolarHBondContact O-ND2 3.26Å; N146-N149 PolarHBondContact O-N 2.94Å; N149-R151 VanDerWaalsContact C-N 3.34Å; N149-R151 PolarHBondContact O-N 3.21Å; N149-R152 PolarHBondContact O-N 2.93Å; N149-S153 WeakPolarHBondContact O-CB 3.3Å; N149-S153 PolarHBondContact O-N 3.37Å
150	N	98.2	Very high	98.1	Very high	117 Å²	117	94.5 Å²	94.5	63%	0.626	48%	0.476	S	S	*	.	H	α-helix	trans	-61.2	-43.2	175.5	-72.6	-18.8	0	0	0	111.5	N146 K147 S153 H154	N146-N150 WeakPolarHBondContact O-CB 3.43Å; N146-N150 VanDerWaalsContact O-CG 3.24Å; N146-N150 PolarHBondContact O-N 3.39Å; N146-N150 PolarHBondContact O-ND2 2.88Å; K147-N150 PolarHBondContact O-N 2.92Å; N150-S153 PolarHBondContact O-N 3.29Å; N150-H154 WeakPolarHBondContact O-CB 3.43Å; N150-H154 PolarHBondContact O-N 3.34Å
151	R	98.4	Very high	98.1	Very high	126 Å²	126	95.8 Å²	95.8	48%	0.475	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-46.7	175.6	-170.6	-170.2	70.5	81.2	3.2	111.5	K147 E148 N149 H154 L155	K147-R151 WeakPolarHBondContact O-CB 3.32Å; K147-R151 PolarHBondContact O-N 2.8Å; E148-R151 VanDerWaalsContact CD-NH2 3.31Å; E148-R151 PolarHBondContact O-N 3Å; E148-R151 IonicContact OE1-CZ 3.78Å; E148-R151 IonicContact OE1-NE 3.1Å; E148-R151 IonicContact OE1-NH2 3.34Å; E148-R151 PolarHBondContact OE1-NH2 3.47Å; E148-R151 IonicContact OE2-CZ 3.49Å; E148-R151 IonicContact OE2-NE 3.58Å; E148-R151 PolarHBondContact OE2-NE 3.43Å; E148-R151 IonicContact OE2-NH2 2.71Å; E148-R151 PolarHBondContact OE2-NH2 2.83Å; E148-R151 VanDerWaalsContact OE2-NH2 3.1Å; N149-R151 VanDerWaalsContact C-N 3.34Å; N149-R151 PolarHBondContact O-N 3.21Å; R151-H154 PolarHBondContact O-N 3.12Å; R151-L155 HydrophobicContact CG-CD1 4.39Å; R151-L155 WeakPolarHBondContact O-CG 3.43Å; R151-L155 PolarHBondContact O-N 2.86Å
152	R	98.3	Very high	98.1	Very high	143 Å²	143	94.1 Å²	94.1	54%	0.54	48%	0.476	S	S	.	.	H	α-helix	trans	-60.7	-45.9	176.7	-74.3	179.8	-174	-152	3.4	111.8	E148 N149 H154 L155 Q156	E148-R152 WeakPolarHBondContact O-CG 3.49Å; E148-R152 PolarHBondContact O-N 3.23Å; E148-R152 IonicContact OE1-CZ 3.51Å; E148-R152 IonicContact OE1-NE 2.64Å; E148-R152 PolarHBondContact OE1-NE 3.5Å; E148-R152 IonicContact OE1-NH2 2.8Å; E148-R152 PolarHBondContact OE1-NH2 3.28Å; N149-R152 PolarHBondContact O-N 2.93Å; R152-H154 PolarHBondContact O-N 2.98Å; R152-L155 PolarHBondContact O-N 2.9Å; R152-Q156 WeakPolarHBondContact O-CB 3.31Å; R152-Q156 WeakPolarHBondContact O-CG 3.37Å; R152-Q156 PolarHBondContact O-N 3.4Å
153	S	98.2	Very high	98.1	Very high	72 Å²	72	94.9 Å²	94.9	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-60.9	-44	177.9	-179.7	0	0	0	0	111.9	N149 N150 Q156 N157	N149-S153 WeakPolarHBondContact O-CB 3.3Å; N149-S153 PolarHBondContact O-N 3.37Å; N150-S153 PolarHBondContact O-N 3.29Å; S153-Q156 PolarHBondContact O-N 3.44Å; S153-N157 PolarHBondContact O-N 2.89Å
154	H	98.2	Very high	98.1	Very high	119 Å²	119	94.7 Å²	94.7	55%	0.551	48%	0.476	S	S	*	.	H	α-helix	trans	-62.7	-45.2	176.9	-173.1	65.7	0	0	0	112.2	N150 R151 R152 Q156 N157 I158	N150-H154 WeakPolarHBondContact O-CB 3.43Å; N150-H154 PolarHBondContact O-N 3.34Å; R151-H154 PolarHBondContact O-N 3.12Å; R152-H154 PolarHBondContact O-N 2.98Å; H154-Q156 PolarHBondContact O-N 3.42Å; H154-N157 WeakPolarHBondContact O-CB 3.49Å; H154-N157 PolarHBondContact O-N 3.45Å; H154-I158 WeakPolarHBondContact O-CG1 3.31Å; H154-I158 PolarHBondContact O-N 2.96Å
155	L	98.2	Very high	98	Very high	80 Å²	80	94.4 Å²	94.4	42%	0.419	47%	0.472	S	S	.	.	H	α-helix	trans	-63.2	-40.5	176.5	-73	174.1	0	0	0	112.3	R151 R152 N157 I158 V159	R151-L155 HydrophobicContact CG-CD1 4.39Å; R151-L155 WeakPolarHBondContact O-CG 3.43Å; R151-L155 PolarHBondContact O-N 2.86Å; R152-L155 PolarHBondContact O-N 2.9Å; L155-N157 VanDerWaalsContact C-N 3.33Å; L155-N157 PolarHBondContact O-N 3.41Å; L155-I158 PolarHBondContact O-N 2.73Å; L155-V159 WeakPolarHBondContact O-CG2 3.43Å; L155-V159 PolarHBondContact O-N 3.03Å
156	Q	98	Very high	98	Very high	138 Å²	138	96.1 Å²	96.1	65%	0.645	48%	0.475	S	S	*	.	H	α-helix	trans	-61.6	-41.1	174.9	-76.7	175.1	-20.9	0	0	111.9	R152 S153 H154 V159 H160	R152-Q156 WeakPolarHBondContact O-CB 3.31Å; R152-Q156 WeakPolarHBondContact O-CG 3.37Å; R152-Q156 PolarHBondContact O-N 3.4Å; S153-Q156 PolarHBondContact O-N 3.44Å; H154-Q156 PolarHBondContact O-N 3.42Å; Q156-V159 PolarHBondContact O-N 3.4Å; Q156-H160 WeakPolarHBondContact O-CB 3.4Å; Q156-H160 PolarHBondContact O-N 2.85Å
157	N	98.1	Very high	97.9	Very high	81 Å²	81	97.1 Å²	97.1	43%	0.433	48%	0.477	S	S	.	.	H	α-helix	trans	-62.4	-45	175.1	-172	-4.3	0	0	0	111.5	S153 H154 L155 V159 H160 Q161	S153-N157 PolarHBondContact O-N 2.89Å; H154-N157 WeakPolarHBondContact O-CB 3.49Å; H154-N157 PolarHBondContact O-N 3.45Å; L155-N157 VanDerWaalsContact C-N 3.33Å; L155-N157 PolarHBondContact O-N 3.41Å; N157-V159 PolarHBondContact O-N 3.05Å; N157-H160 PolarHBondContact O-N 3.49Å; N157-Q161 WeakPolarHBondContact O-CG 3.34Å; N157-Q161 PolarHBondContact O-N 3.5Å; N157-Q161 PolarHBondContact OD1-NE2 3.34Å
158	I	98.2	Very high	97.8	Very high	69 Å²	69	97 Å²	97	35%	0.354	48%	0.477	S	S	.	.	H	α-helix	trans	-58.7	-48.7	175.2	-67.7	168.6	0	0	0	110.8	H154 L155 H160 Q161 C162	H154-I158 WeakPolarHBondContact O-CG1 3.31Å; H154-I158 PolarHBondContact O-N 2.96Å; L155-I158 PolarHBondContact O-N 2.73Å; I158-H160 VanDerWaalsContact C-N 3.28Å; I158-H160 PolarHBondContact O-N 3.27Å; I158-Q161 PolarHBondContact O-N 3.19Å; I158-C162 PolarHBondContact O-N 3.25Å; I158-C162 PolarHBondContact O-SG 2.82Å; I158-C162 VanDerWaalsContact O-SG 3.37Å
159	V	98.1	Very high	97.6	Very high	79 Å²	79	97.3 Å²	97.3	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-57	-44.7	178	169	0	0	0	0	110.8	L155 Q156 N157 C162 Q163	L155-V159 WeakPolarHBondContact O-CG2 3.43Å; L155-V159 PolarHBondContact O-N 3.03Å; Q156-V159 PolarHBondContact O-N 3.4Å; N157-V159 PolarHBondContact O-N 3.05Å; V159-C162 PolarHBondContact O-N 3.02Å; V159-Q163 VanDerWaalsContact O-CG 3.31Å; V159-Q163 WeakPolarHBondContact O-CG 3.49Å; V159-Q163 PolarHBondContact O-N 3.23Å
160	H	98	Very high	97.5	Very high	100 Å²	100	98.8 Å²	98.8	46%	0.463	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-43.1	177.6	-177.4	58.2	0	0	0	112.6	Q156 N157 I158 C162 Q163 L164	Q156-H160 WeakPolarHBondContact O-CB 3.4Å; Q156-H160 PolarHBondContact O-N 2.85Å; N157-H160 PolarHBondContact O-N 3.49Å; I158-H160 VanDerWaalsContact C-N 3.28Å; I158-H160 PolarHBondContact O-N 3.27Å; H160-C162 PolarHBondContact O-N 2.86Å; H160-Q163 WeakPolarHBondContact O-CB 3.36Å; H160-Q163 PolarHBondContact O-N 3.21Å; H160-L164 WeakPolarHBondContact O-CG 3.39Å; H160-L164 PolarHBondContact O-N 3.45Å
161	Q	98.1	Very high	97.3	Very high	110 Å²	110	95.8 Å²	95.8	51%	0.514	47%	0.474	S	S	.	.	H	α-helix	trans	-62.8	-41.8	175.8	-70.9	176.4	18.7	0	0	112.2	N157 I158 Q163 L164 E165	N157-Q161 WeakPolarHBondContact O-CG 3.34Å; N157-Q161 PolarHBondContact O-N 3.5Å; N157-Q161 PolarHBondContact OD1-NE2 3.34Å; I158-Q161 PolarHBondContact O-N 3.19Å; Q161-Q163 VanDerWaalsContact C-N 3.34Å; Q161-L164 PolarHBondContact O-N 3.11Å; Q161-E165 PolarHBondContact O-N 2.81Å
162	C	97.7	Very high	97	Very high	70 Å²	70	92.1 Å²	92.1	47%	0.473	47%	0.466	S	S	.	.	H	α-helix	trans	-62.6	-41	174.8	-68.6	0	0	0	0	111.8	I158 V159 H160 E165 I166	I158-C162 PolarHBondContact O-N 3.25Å; I158-C162 PolarHBondContact O-SG 2.82Å; I158-C162 VanDerWaalsContact O-SG 3.37Å; V159-C162 PolarHBondContact O-N 3.02Å; H160-C162 PolarHBondContact O-N 2.86Å; C162-E165 PolarHBondContact O-N 3.14Å; C162-I166 VanDerWaalsContact O-CG1 3.28Å; C162-I166 WeakPolarHBondContact O-CG1 3.45Å; C162-I166 PolarHBondContact O-N 2.84Å
163	Q	97.7	Very high	96.7	Very high	95 Å²	95	93.7 Å²	93.7	44%	0.444	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-48.2	175.7	-74.4	168.5	-16.6	0	0	111.6	V159 H160 Q161 E165 I166 E167	V159-Q163 VanDerWaalsContact O-CG 3.31Å; V159-Q163 WeakPolarHBondContact O-CG 3.49Å; V159-Q163 PolarHBondContact O-N 3.23Å; H160-Q163 WeakPolarHBondContact O-CB 3.36Å; H160-Q163 PolarHBondContact O-N 3.21Å; Q161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-E165 VanDerWaalsContact C-N 3.25Å; Q163-E165 PolarHBondContact O-N 3.03Å; Q163-I166 WeakPolarHBondContact O-CB 3.43Å; Q163-I166 PolarHBondContact O-N 3.18Å; Q163-I166 VanDerWaalsContact O-N 3.16Å; Q163-E167 WeakPolarHBondContact O-CG 3.46Å; Q163-E167 PolarHBondContact O-N 2.64Å
164	L	97.7	Very high	96.3	Very high	71 Å²	71	98 Å²	98	37%	0.372	48%	0.478	S	S	.	.	H	α-helix	trans	-58.2	-38	176.1	-71.7	174.6	0	0	0	112.3	H160 Q161 K168	H160-L164 WeakPolarHBondContact O-CG 3.39Å; H160-L164 PolarHBondContact O-N 3.45Å; Q161-L164 PolarHBondContact O-N 3.11Å; L164-K168 VanDerWaalsContact O-CG 3.31Å; L164-K168 WeakPolarHBondContact O-CG 3.36Å; L164-K168 PolarHBondContact O-N 3.11Å; L164-K168 VanDerWaalsContact O-N 3.07Å
165	E	96.9	Very high	95.8	Very high	98 Å²	98	99.2 Å²	99.2	46%	0.458	48%	0.478	S	S	.	.	H	α-helix	trans	-71.4	-38.4	178.2	-160.8	58.2	-148.2	0	0	112.1	Q161 C162 Q163 K168 V169	Q161-E165 PolarHBondContact O-N 2.81Å; C162-E165 PolarHBondContact O-N 3.14Å; Q163-E165 VanDerWaalsContact C-N 3.25Å; Q163-E165 PolarHBondContact O-N 3.03Å; E165-K168 PolarHBondContact O-N 3.34Å; E165-K168 WeakPolarHBondContact OE2-CD 3.26Å; E165-K168 IonicContact OE2-NZ 2.66Å; E165-K168 PolarHBondContact OE2-NZ 3.27Å; E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.4Å
166	I	96.8	Very high	95.2	Very high	96 Å²	96	103.4 Å²	103.4	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-60	-49.2	171.8	-70.1	163.1	0	0	0	110.3	C162 Q163 K168 V169 E170	C162-I166 VanDerWaalsContact O-CG1 3.28Å; C162-I166 WeakPolarHBondContact O-CG1 3.45Å; C162-I166 PolarHBondContact O-N 2.84Å; Q163-I166 WeakPolarHBondContact O-CB 3.43Å; Q163-I166 PolarHBondContact O-N 3.18Å; Q163-I166 VanDerWaalsContact O-N 3.16Å; I166-K168 VanDerWaalsContact C-N 3.32Å; I166-K168 PolarHBondContact O-N 3.02Å; I166-V169 PolarHBondContact O-N 2.87Å; I166-V169 VanDerWaalsContact O-N 3.09Å; I166-E170 HydrophobicContact CG2-CG 4.32Å; I166-E170 WeakPolarHBondContact O-CG 3.45Å; I166-E170 PolarHBondContact O-N 2.95Å
167	E	96.6	Very high	94.5	Very high	112 Å²	112	99.4 Å²	99.4	52%	0.523	48%	0.475	S	S	.	.	H	α-helix	trans	-58.9	-40.8	179	-72.7	170.9	-170.2	0	0	112.2	Q163 E170 S171	Q163-E167 WeakPolarHBondContact O-CG 3.46Å; Q163-E167 PolarHBondContact O-N 2.64Å; E167-E170 PolarHBondContact O-N 3.48Å; E167-S171 WeakPolarHBondContact O-CB 3.29Å; E167-S171 PolarHBondContact O-N 2.87Å
168	K	96.1	Very high	93.5	Very high	118 Å²	118	98.9 Å²	98.9	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-61.5	-45.8	173.4	-73	172.8	-162.9	163.6	0	112	L164 E165 I166 S171 V172	L164-K168 VanDerWaalsContact O-CG 3.31Å; L164-K168 WeakPolarHBondContact O-CG 3.36Å; L164-K168 PolarHBondContact O-N 3.11Å; L164-K168 VanDerWaalsContact O-N 3.07Å; E165-K168 PolarHBondContact O-N 3.34Å; E165-K168 WeakPolarHBondContact OE2-CD 3.26Å; E165-K168 IonicContact OE2-NZ 2.66Å; E165-K168 PolarHBondContact OE2-NZ 3.27Å; I166-K168 VanDerWaalsContact C-N 3.32Å; I166-K168 PolarHBondContact O-N 3.02Å; K168-S171 PolarHBondContact O-N 3.42Å; K168-V172 WeakPolarHBondContact O-CG2 3.48Å; K168-V172 PolarHBondContact O-N 2.9Å
169	V	95.2	Very high	92.2	Very high	63 Å²	63	100.8 Å²	100.8	38%	0.382	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-43.5	178.9	170.4	0	0	0	0	110.6	E165 I166 V172 R173	E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.4Å; I166-V169 PolarHBondContact O-N 2.87Å; I166-V169 VanDerWaalsContact O-N 3.09Å; V169-V172 PolarHBondContact O-N 3.25Å; V169-R173 WeakPolarHBondContact O-CG 3.37Å; V169-R173 PolarHBondContact O-N 3.49Å
170	E	94.6	Very high	90.8	Very high	117 Å²	117	103.5 Å²	103.5	55%	0.547	49%	0.49	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.9	-73	-179.1	170.2	0	0	111.8	I166 E167 V172 R173 Y174	I166-E170 HydrophobicContact CG2-CG 4.32Å; I166-E170 WeakPolarHBondContact O-CG 3.45Å; I166-E170 PolarHBondContact O-N 2.95Å; E167-E170 PolarHBondContact O-N 3.48Å; E170-V172 VanDerWaalsContact C-N 3.34Å; E170-V172 PolarHBondContact O-N 2.9Å; E170-R173 PolarHBondContact O-N 2.87Å; E170-Y174 WeakPolarHBondContact O-CB 3.46Å; E170-Y174 PolarHBondContact O-N 3.42Å
171	S	93.2	Very high	89.2	Confident	55 Å²	55	104.3 Å²	104.3	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-59.8	-41.1	173.8	-179.9	0	0	0	0	112.6	E167 K168 R175	E167-S171 WeakPolarHBondContact O-CB 3.29Å; E167-S171 PolarHBondContact O-N 2.87Å; K168-S171 PolarHBondContact O-N 3.42Å; S171-R175 WeakPolarHBondContact O-CG 3.45Å; S171-R175 PolarHBondContact O-N 2.79Å; S171-R175 VanDerWaalsContact O-N 3.08Å
172	V	92.9	Very high	87.4	Confident	49 Å²	49	103.9 Å²	103.9	30%	0.297	50%	0.503	S	S	.	.	H	α-helix	trans	-65.9	-44	174.5	171.8	0	0	0	0	111.4	K168 V169 E170 R175 R176	K168-V172 WeakPolarHBondContact O-CG2 3.48Å; K168-V172 PolarHBondContact O-N 2.9Å; V169-V172 PolarHBondContact O-N 3.25Å; E170-V172 VanDerWaalsContact C-N 3.34Å; E170-V172 PolarHBondContact O-N 2.9Å; V172-R175 PolarHBondContact O-N 3.41Å; V172-R176 WeakPolarHBondContact O-CG 3.24Å; V172-R176 PolarHBondContact O-N 2.73Å
173	R	91.3	Very high	85.4	Confident	175 Å²	175	108.9 Å²	108.9	66%	0.66	52%	0.522	S	S	*	.	H	α-helix	trans	-60.3	-44.9	176.4	-74.6	179.7	179.7	-170.9	-0.8	111.7	V169 E170 R176 S177	V169-R173 WeakPolarHBondContact O-CG 3.37Å; V169-R173 PolarHBondContact O-N 3.49Å; E170-R173 PolarHBondContact O-N 2.87Å; R173-R176 PolarHBondContact O-N 3.21Å; R173-S177 PolarHBondContact O-N 2.8Å
174	Y	90.6	Very high	82.9	Confident	163 Å²	163	115.5 Å²	115.5	64%	0.639	55%	0.552	S	S	*	*	H	α-helix	trans	-60.1	-46.4	177.3	-176.6	-104.1	0	0	0	112	E170 R176 S177 I178	E170-Y174 WeakPolarHBondContact O-CB 3.46Å; E170-Y174 PolarHBondContact O-N 3.42Å; Y174-R176 PolarHBondContact O-N 3.12Å; Y174-S177 PolarHBondContact O-N 2.66Å; Y174-I178 HydrophobicContact CD1-CD1 3.76Å; Y174-I178 HydrophobicContact CE1-CD1 3.3Å; Y174-I178 HydrophobicContact CE1-CG1 4.38Å; Y174-I178 HydrophobicContact CE2-CD1 4.41Å; Y174-I178 HydrophobicContact CG-CD1 4.49Å; Y174-I178 WeakPolarHBondContact O-CG1 3.38Å; Y174-I178 PolarHBondContact O-N 2.81Å
175	R	88.5	Confident	82.1	Confident	144 Å²	144	117.7 Å²	117.7	54%	0.543	56%	0.562	S	S	.	*	H	α-helix	trans	-61.6	-40.1	175.5	-74.6	-175.2	-69	-162.3	-1	113.1	S171 V172 I178 N179	S171-R175 WeakPolarHBondContact O-CG 3.45Å; S171-R175 PolarHBondContact O-N 2.79Å; S171-R175 VanDerWaalsContact O-N 3.08Å; V172-R175 PolarHBondContact O-N 3.41Å; R175-I178 PolarHBondContact O-N 2.64Å; R175-N179 PolarHBondContact O-N 2.81Å; R175-N179 VanDerWaalsContact O-N 3.15Å
176	R	85.1	Confident	81.4	Confident	168 Å²	168	118.7 Å²	118.7	63%	0.634	57%	0.567	S	S	*	*	H	α-helix	trans	-65.3	-43.8	176.6	-73	178.9	-176.3	179	1.4	111.8	V172 R173 Y174 I178 N179 E180	V172-R176 WeakPolarHBondContact O-CG 3.24Å; V172-R176 PolarHBondContact O-N 2.73Å; R173-R176 PolarHBondContact O-N 3.21Å; Y174-R176 PolarHBondContact O-N 3.12Å; R176-I178 VanDerWaalsContact C-N 3.33Å; R176-I178 PolarHBondContact O-N 2.89Å; R176-N179 PolarHBondContact O-N 3.39Å; R176-E180 PolarHBondContact O-N 3.48Å
177	S	83.7	Confident	80.5	Confident	54 Å²	54	120 Å²	120	38%	0.378	57%	0.571	S	S	.	*	H	α-helix	trans	-62.3	-37.8	177.4	177.4	0	0	0	0	112.7	R173 Y174 N181	R173-S177 PolarHBondContact O-N 2.8Å; Y174-S177 PolarHBondContact O-N 2.66Å; S177-N181 WeakPolarHBondContact O-CB 3.17Å; S177-N181 VanDerWaalsContact O-CG 3.26Å; S177-N181 PolarHBondContact O-N 3.42Å; S177-N181 PolarHBondContact O-ND2 2.97Å
178	I	75.8	Confident	79.6	Confident	71 Å²	71	120.5 Å²	120.5	36%	0.364	57%	0.574	S	S	.	*	H	α-helix	trans	-63.1	-47.3	173.1	-69	167.3	0	0	0	110.7	Y174 R175 R176 E180 N181 T182	Y174-I178 HydrophobicContact CD1-CD1 3.76Å; Y174-I178 HydrophobicContact CE1-CD1 3.3Å; Y174-I178 HydrophobicContact CE1-CG1 4.38Å; Y174-I178 HydrophobicContact CE2-CD1 4.41Å; Y174-I178 HydrophobicContact CG-CD1 4.49Å; Y174-I178 WeakPolarHBondContact O-CG1 3.38Å; Y174-I178 PolarHBondContact O-N 2.81Å; R175-I178 PolarHBondContact O-N 2.64Å; R176-I178 VanDerWaalsContact C-N 3.33Å; R176-I178 PolarHBondContact O-N 2.89Å; I178-E180 VanDerWaalsContact C-N 3.31Å; I178-E180 PolarHBondContact O-N 2.89Å; I178-N181 PolarHBondContact O-N 3.49Å; I178-T182 PolarHBondContact O-N 3.45Å; I178-T182 PolarHBondContact O-OG1 3.49Å
179	N	70.8	Confident	78.5	Confident	109 Å²	109	120.6 Å²	120.6	58%	0.583	58%	0.578	S	S	*	*	H	α-helix	trans	-64.3	-35.3	-179	-73.2	-4	0	0	0	112.7	R175 R176 T182 M183	R175-N179 PolarHBondContact O-N 2.81Å; R175-N179 VanDerWaalsContact O-N 3.15Å; R176-N179 PolarHBondContact O-N 3.39Å; N179-T182 PolarHBondContact O-N 2.59Å; N179-M183 WeakPolarHBondContact O-CG 3.46Å
180	E	69.4	Low	77.4	Confident	136 Å²	136	124.5 Å²	124.5	64%	0.636	59%	0.591	S	S	*	*	H	α-helix	trans	-66.3	-43.9	173.7	-75.7	171.2	178.1	0	0	111.2	R176 I178 T182 M183	R176-E180 PolarHBondContact O-N 3.48Å; I178-E180 VanDerWaalsContact C-N 3.31Å; I178-E180 PolarHBondContact O-N 2.89Å; E180-T182 PolarHBondContact O-N 3.2Å; E180-M183 PolarHBondContact O-N 2.78Å
181	N	64.7	Low	76.2	Confident	116 Å²	116	125 Å²	125	62%	0.62	59%	0.594	S	S	*	*	H	α-helix	trans	-71.3	-12.1	177.6	-69.3	-12.6	0	0	0	114.5	S177 I178	S177-N181 WeakPolarHBondContact O-CB 3.17Å; S177-N181 VanDerWaalsContact O-CG 3.26Å; S177-N181 PolarHBondContact O-N 3.42Å; S177-N181 PolarHBondContact O-ND2 2.97Å; I178-N181 PolarHBondContact O-N 3.49Å
182	T	60.7	Low	74.9	Confident	102 Å²	102	130.4 Å²	130.4	63%	0.626	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-4.9	177.7	-37.5	0	0	0	0	112	I178 N179 E180	I178-T182 PolarHBondContact O-N 3.45Å; I178-T182 PolarHBondContact O-OG1 3.49Å; N179-T182 PolarHBondContact O-N 2.59Å; E180-T182 PolarHBondContact O-N 3.2Å
183	M	54.4	Low	73.4	Confident	174 Å²	174	137.2 Å²	137.2	86%	0.857	64%	0.636	S	S	*	*			trans	-112.8	8.9	-176.7	-69.5	-90.9	-84.6	0	0	113.2	N179 E180	N179-M183 WeakPolarHBondContact O-CG 3.46Å; E180-M183 PolarHBondContact O-N 2.78Å
184	E	45.6	Very low	71.7	Confident	234 Å²	234	133.7 Å²	133.7	100%	1.093	63%	0.634	S	S	*	*			trans	-101.5	0	162.8	-75.9	-173.2	161.2	0	0	110.6

Retrieved 184 of 184 residues in 163.1 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).