A0A3Q0KGT7_SCHMA Loading...

Mitochondrial potassium channel ATP-binding subunit

AlphaFold DB , UniProt , Accession A0A3Q0KGT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 691 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	26.9	Very low	28.2	Very low	148 Å²	148	135.8 Å²	135.8	73%	0.729	71%	0.706	S	S	*	*				0	-62.8	0	-93	173.2	167.6	0	0	112.3	S3 F331 L383	M1-S3 PolarHBondContact O-N 2.83Å; M1-F331 HydrophobicContact CE-CE1 4.29Å; M1-L383 HydrophobicContact CB-CD2 4.46Å
2	F	29.7	Very low	28	Very low	149 Å²	149	134.1 Å²	134.1	65%	0.654	71%	0.706	S	S	*	*	H	α-helix	trans	-77.1	-15.5	178.4	-91.7	-87	0	0	0	116.5	A4 L5 C6	F2-A4 PolarHBondContact O-N 3.17Å; F2-L5 HydrophobicContact CD1-CB 4.4Å; F2-L5 HydrophobicContact CD1-CD1 4.44Å; F2-L5 HydrophobicContact CE1-CD1 4.46Å; F2-L5 PolarHBondContact O-N 3.48Å; F2-C6 PolarHBondContact O-N 3.46Å; F2-C6 VanDerWaalsContact O-N 3.13Å
3	S	27.1	Very low	27.8	Very low	73 Å²	73	136.2 Å²	136.2	51%	0.51	72%	0.718	S	S	.	*	H	α-helix	trans	-69.8	-18.6	178.7	60.6	0	0	0	0	114.2	M1	M1-S3 PolarHBondContact O-N 2.83Å
4	A	28.6	Very low	27.7	Very low	76 Å²	76	139.8 Å²	139.8	63%	0.628	72%	0.724	S	S	*	*	H	α-helix	trans	-85.2	-33.5	172.8	0	0	0	0	0	111.8	F2 R7	F2-A4 PolarHBondContact O-N 3.17Å; A4-R7 PolarHBondContact O-N 3.23Å
5	L	28.4	Very low	27.5	Very low	115 Å²	115	140.9 Å²	140.9	60%	0.602	74%	0.739	S	S	*	*	H	α-helix	trans	-71.7	-29.9	177.3	-85.3	152.3	0	0	0	113	F2 R7 R8	F2-L5 HydrophobicContact CD1-CB 4.4Å; F2-L5 HydrophobicContact CD1-CD1 4.44Å; F2-L5 HydrophobicContact CE1-CD1 4.46Å; F2-L5 PolarHBondContact O-N 3.48Å; L5-R7 PolarHBondContact O-N 3.06Å; L5-R7 VanDerWaalsContact O-N 3.16Å; L5-R8 PolarHBondContact O-N 3.19Å
6	C	30.4	Very low	27.4	Very low	115 Å²	115	138.6 Å²	138.6	78%	0.777	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-8.2	172.4	-86.9	0	0	0	0	114.6	F2	F2-C6 PolarHBondContact O-N 3.46Å; F2-C6 VanDerWaalsContact O-N 3.13Å
7	R	31.3	Very low	27.4	Very low	228 Å²	228	140.9 Å²	140.9	86%	0.86	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-3.3	175.5	-71.9	-167.9	-170.2	-161.8	2.6	114.5	A4 L5	A4-R7 PolarHBondContact O-N 3.23Å; L5-R7 PolarHBondContact O-N 3.06Å; L5-R7 VanDerWaalsContact O-N 3.16Å
8	R	29.4	Very low	27.2	Very low	199 Å²	199	144.5 Å²	144.5	75%	0.751	75%	0.753	S	S	*	*			trans	-131.4	67.5	173.3	-78.3	-174.3	174.6	174	-1.2	110.5	L5	L5-R8 PolarHBondContact O-N 3.19Å
9	G	27.1	Very low	26.9	Very low	71 Å²	71	149.4 Å²	149.4	73%	0.732	76%	0.761	S	S	*	*			trans	-109.5	94.4	163.4	0	0	0	0	0	109.5
10	F	26.8	Very low	26.8	Very low	185 Å²	185	147.4 Å²	147.4	81%	0.811	76%	0.76	S	S	*	*			trans	2.4	121.6	154.2	-90.3	-109	0	0	0	119.8
11	L	24.6	Very low	26.6	Very low	135 Å²	135	145.7 Å²	145.7	71%	0.707	76%	0.757	S	S	*	*				45.8	131.6	110.1	-80	153	0	0	0	120.2
12	T	25.4	Very low	26.6	Very low	115 Å²	115	149.3 Å²	149.3	71%	0.706	76%	0.764	S	S	*	*			trans	71.5	91.3	145.9	56.1	0	0	0	0	118.6
13	N	25.1	Very low	26.2	Very low	162 Å²	162	150.2 Å²	150.2	87%	0.866	77%	0.768	S	S	*	*	S	Bend		-166.9	140.1	113	-99.5	-34.9	0	0	0	110.9
14	K	26.7	Very low	26	Very low	186 Å²	186	152.6 Å²	152.6	81%	0.809	78%	0.783	S	S	*	*			trans	89.1	53.6	-178.4	-55.9	-174.8	172.9	-176.7	0	117.4
15	V	25.1	Very low	25.8	Very low	156 Å²	156	155.4 Å²	155.4	95%	0.945	79%	0.787	S	S	*	*	S	Bend	trans	-97.2	8.4	150.4	173.6	0	0	0	0	111.8
16	S	26.2	Very low	25.5	Very low	105 Å²	105	158.2 Å²	158.2	73%	0.734	80%	0.797	S	S	*	*	S	Bend	trans	-121.5	68.1	178.1	53.3	0	0	0	0	112.7
17	Q	26.3	Very low	25.2	Very low	177 Å²	177	162.9 Å²	162.9	83%	0.827	80%	0.8	S	S	*	*	S	Bend	trans	-161.8	12.9	153.8	-120.3	172.7	3.5	0	0	116.9
18	F	24.3	Very low	24.7	Very low	206 Å²	206	158.8 Å²	158.8	90%	0.904	80%	0.795	S	S	*	*			trans	-104.8	59.5	172.6	-91.1	-84.5	0	0	0	111.8
19	R	21.5	Very low	24.5	Very low	238 Å²	238	156.8 Å²	156.8	90%	0.898	80%	0.798	S	S	*	*			trans	-146.5	89.8	158.9	-94.4	-171	177.1	173.2	-0.8	108.2
20	S	24.2	Very low	24.1	Very low	108 Å²	108	161.8 Å²	161.8	76%	0.755	80%	0.8	S	S	*	*	S	Bend	trans	156.4	133.1	134.8	56.2	0	0	0	0	111.3
21	T	23.8	Very low	24	Very low	113 Å²	113	158.6 Å²	158.6	69%	0.693	80%	0.796	S	S	*	*			trans	66.1	82.3	152.5	25.2	0	0	0	0	118.5
22	Y	25.6	Very low	24	Very low	224 Å²	224	160.5 Å²	160.5	88%	0.878	80%	0.801	S	S	*	*			trans	-96.9	92.1	134.1	-82.8	-83.1	0	0	0	107.8	C24	Y22-C24 PolarHBondContact O-N 2.98Å
23	K	22.9	Very low	24	Very low	168 Å²	168	163.5 Å²	163.5	73%	0.73	81%	0.811	S	S	*	*			trans	-73.7	110.6	154.9	-92.7	-178.4	172.3	-176.4	0	106	D25	K23-D25 VanDerWaalsContact C-N 3.33Å; K23-D25 PolarHBondContact O-N 2.67Å; K23-D25 VanDerWaalsContact O-N 3.15Å
24	C	23	Very low	23.9	Very low	123 Å²	123	164.2 Å²	164.2	83%	0.831	81%	0.806	S	S	*	*			trans	-77.4	88.7	166.8	-74	0	0	0	0	108	Y22	Y22-C24 PolarHBondContact O-N 2.98Å
25	D	23.6	Very low	24	Very low	134 Å²	134	161.1 Å²	161.1	72%	0.717	81%	0.805	S	S	*	*			trans	-80	131.9	164.2	-82.9	-34.7	0	0	0	109.8	K23 Y27	K23-D25 VanDerWaalsContact C-N 3.33Å; K23-D25 PolarHBondContact O-N 2.67Å; K23-D25 VanDerWaalsContact O-N 3.15Å; D25-Y27 PolarHBondContact O-N 2.85Å
26	H	21.6	Very low	24.1	Very low	175 Å²	175	162.1 Å²	162.1	81%	0.81	80%	0.804	S	S	*	*			trans	-42.8	122.5	171.6	-82.9	-90	0	0	0	113.1
27	Y	24.8	Very low	23.9	Very low	212 Å²	212	166.6 Å²	166.6	83%	0.831	81%	0.81	S	S	*	*			trans	-135.3	101.7	150.6	-100.4	-85	0	0	0	110.8	D25 L29	D25-Y27 PolarHBondContact O-N 2.85Å; Y27-L29 HydrophobicContact CD1-CD1 4.18Å
28	N	20.2	Very low	23.7	Very low	143 Å²	143	164.9 Å²	164.9	77%	0.765	82%	0.817	S	S	*	*			trans	-61.9	120.3	154.8	-94.1	-39.9	0	0	0	108.8
29	L	25	Very low	23.9	Very low	156 Å²	156	160.1 Å²	160.1	82%	0.817	81%	0.809	S	S	*	*			trans	-138.7	99	152	-111.8	113	0	0	0	110.3	Y27	Y27-L29 HydrophobicContact CD1-CD1 4.18Å
30	K	19.8	Very low	24.2	Very low	177 Å²	177	154.5 Å²	154.5	77%	0.77	81%	0.806	S	S	*	*			trans	-66	151.8	159.6	-81.1	179.3	173.6	178.8	0	110.1
31	T	23.4	Very low	24.4	Very low	118 Å²	118	153.9 Å²	153.9	72%	0.724	80%	0.802	S	S	*	*			trans	67.6	108.1	149.1	51.1	0	0	0	0	120.3
32	H	26	Very low	24.7	Very low	174 Å²	174	156.4 Å²	156.4	81%	0.806	81%	0.81	S	S	*	*				147.2	90.4	126.9	-86.3	-71.3	0	0	0	112.2
33	I	24	Very low	24.7	Very low	179 Å²	179	156.7 Å²	156.7	92%	0.918	81%	0.81	S	S	*	*			trans	-90.2	103.3	165.6	-60.4	172.3	0	0	0	107.3
34	K	23.9	Very low	24.9	Very low	177 Å²	177	155.6 Å²	155.6	77%	0.77	81%	0.811	S	S	*	*			trans	-122.8	152.6	163.1	-98.2	-173.7	178.7	179.5	0	108.5
35	P	27.9	Very low	25.2	Very low	121 Å²	121	156.1 Å²	156.1	79%	0.786	81%	0.81	S	S	*	*			trans	-84.5	129.1	-148.7	32.3	-33.4	0	0	0	112.7
36	L	27.8	Very low	25.3	Very low	176 Å²	176	156.4 Å²	156.4	92%	0.921	82%	0.817	S	S	*	*			trans	-83.7	114.7	172.1	-89.3	126	0	0	0	110.5
37	K	22.8	Very low	25.7	Very low	199 Å²	199	150.7 Å²	150.7	87%	0.865	81%	0.805	S	S	*	*			trans	-56.1	139.8	171.8	-80.2	173.7	170.5	176.7	0	111.9	S39	K37-S39 PolarHBondContact O-N 3.12Å
38	C	22.6	Very low	26.2	Very low	142 Å²	142	148.4 Å²	148.4	96%	0.959	81%	0.814	S	S	*	*			trans	-51.7	117.4	164.7	-77.8	0	0	0	0	111
39	S	27.3	Very low	26.6	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	81%	0.806	S	S	*	*			trans	-113.7	115.9	159.6	178.6	0	0	0	0	108.3	K37 S41	K37-S39 PolarHBondContact O-N 3.12Å; S39-S41 PolarHBondContact O-N 3.1Å
40	S	27.6	Very low	26.9	Very low	120 Å²	120	144.5 Å²	144.5	84%	0.839	81%	0.806	S	S	*	*			trans	-64.9	105.9	171.9	48.5	0	0	0	0	110.6
41	S	29	Very low	27.4	Very low	95 Å²	95	145.5 Å²	145.5	66%	0.664	81%	0.811	S	S	*	*			trans	-147.3	82.9	159.4	66.2	0	0	0	0	110.2	S39 R43	S39-S41 PolarHBondContact O-N 3.1Å; S41-R43 PolarHBondContact O-N 2.99Å
42	L	30.2	Very low	27.7	Very low	165 Å²	165	146.4 Å²	146.4	86%	0.864	81%	0.81	S	S	*	*			trans	-64.1	108.8	160.9	-116.8	89.8	0	0	0	107.3	L44	L42-L44 HydrophobicContact CD2-CD1 4.24Å
43	R	26	Very low	27.8	Very low	231 Å²	231	141.7 Å²	141.7	87%	0.872	80%	0.801	S	S	*	*			trans	-92.3	102.3	165.8	-81.4	-173.8	179.6	-176.8	0.5	108.6	S41	S41-R43 PolarHBondContact O-N 2.99Å
44	L	26.4	Very low	28	Very low	144 Å²	144	140.8 Å²	140.8	75%	0.754	80%	0.797	S	S	*	*			trans	-72.4	114.9	163.7	-111.1	95.1	0	0	0	108.1	L42	L42-L44 HydrophobicContact CD2-CD1 4.24Å
45	T	29.4	Very low	28.1	Very low	135 Å²	135	140.8 Å²	140.8	83%	0.828	80%	0.8	S	S	*	*			trans	-109.6	114.6	162.6	38.8	0	0	0	0	108.8	G47	T45-G47 PolarHBondContact O-N 3.36Å
46	V	26.6	Very low	28.1	Very low	140 Å²	140	139.3 Å²	139.3	85%	0.848	79%	0.792	S	S	*	*			trans	-78.8	97.4	179.3	-179.1	0	0	0	0	108.3
47	G	29	Very low	28	Very low	55 Å²	55	141 Å²	141	57%	0.567	79%	0.792	S	S	*	*			trans	-107.1	140.2	165.2	0	0	0	0	0	109.4	T45 G49	T45-G47 PolarHBondContact O-N 3.36Å; G47-G49 PolarHBondContact O-N 3.1Å
48	T	35.6	Very low	28.3	Very low	164 Å²	164	138.6 Å²	138.6	100%	1.006	79%	0.787	S	S	*	*	S	Bend	trans	-65.2	29.6	-170.1	36.6	0	0	0	0	116.7
49	G	29.6	Very low	28.6	Very low	58 Å²	58	136.2 Å²	136.2	60%	0.598	77%	0.772	S	S	*	*	S	Bend	trans	-138.1	103.1	171.1	0	0	0	0	0	109.4	G47 F51	G47-G49 PolarHBondContact O-N 3.1Å; G49-F51 VanDerWaalsContact C-N 3.26Å; G49-F51 PolarHBondContact O-N 3.22Å
50	L	30.9	Very low	28.8	Very low	158 Å²	158	137 Å²	137	83%	0.827	77%	0.774	S	S	*	*			trans	-66.2	77.8	-177.4	-162	84.6	0	0	0	111.3
51	F	29.2	Very low	28.9	Very low	198 Å²	198	139.1 Å²	139.1	87%	0.868	77%	0.771	S	S	*	*			trans	-116.2	94.4	160.9	-99.9	-83.9	0	0	0	108.2	G49 A53	G49-F51 VanDerWaalsContact C-N 3.26Å; G49-F51 PolarHBondContact O-N 3.22Å; F51-A53 VanDerWaalsContact C-N 3.27Å; F51-A53 PolarHBondContact O-N 3.44Å
52	I	29.8	Very low	28.9	Very low	137 Å²	137	140.3 Å²	140.3	70%	0.703	78%	0.78	S	S	*	*			trans	-71.1	90.5	164.9	-60.5	172.9	0	0	0	106.3	L54	I52-L54 HydrophobicContact CG2-CD1 4.49Å; I52-L54 HydrophobicContact CG2-CG 4.2Å; I52-L54 PolarHBondContact O-N 3.07Å
53	A	27.7	Very low	28.7	Very low	75 Å²	75	143 Å²	143	62%	0.62	78%	0.778	S	S	*	*			trans	-79.1	93.7	166.9	0	0	0	0	0	108.2	F51 H55	F51-A53 VanDerWaalsContact C-N 3.27Å; F51-A53 PolarHBondContact O-N 3.44Å; A53-H55 VanDerWaalsContact C-N 3.26Å; A53-H55 PolarHBondContact O-N 3.46Å
54	L	28	Very low	29.1	Very low	160 Å²	160	139.2 Å²	139.2	84%	0.838	77%	0.774	S	S	*	*			trans	-66.8	87.8	165.5	-86.8	154.3	0	0	0	108.5	I52 S56	I52-L54 HydrophobicContact CG2-CD1 4.49Å; I52-L54 HydrophobicContact CG2-CG 4.2Å; I52-L54 PolarHBondContact O-N 3.07Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 3.24Å; L54-S56 VanDerWaalsContact O-N 3.11Å
55	H	26.7	Very low	29.1	Very low	178 Å²	178	140.1 Å²	140.1	82%	0.824	77%	0.774	S	S	*	*			trans	-77.1	86.8	166.1	-99.8	-72.9	0	0	0	108.9	A53 K57	A53-H55 VanDerWaalsContact C-N 3.26Å; A53-H55 PolarHBondContact O-N 3.46Å; H55-K57 PolarHBondContact O-N 3.19Å
56	S	27.8	Very low	28.9	Very low	89 Å²	89	139.3 Å²	139.3	62%	0.622	77%	0.769	S	S	*	*			trans	-70.2	110	159.5	58.8	0	0	0	0	108	L54 I58	L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 3.24Å; L54-S56 VanDerWaalsContact O-N 3.11Å; S56-I58 PolarHBondContact O-N 3.43Å
57	K	26.7	Very low	29	Very low	213 Å²	213	137.9 Å²	137.9	93%	0.926	76%	0.76	S	S	*	*			trans	-61.6	102.5	163.7	-85.6	-177.7	174	179.4	0	107.8	H55 S59	H55-K57 PolarHBondContact O-N 3.19Å; K57-S59 PolarHBondContact O-N 3.35Å
58	I	27.9	Very low	28.7	Very low	147 Å²	147	143.3 Å²	143.3	75%	0.754	77%	0.771	S	S	*	*			trans	-85.2	106.1	167.6	-62.7	168.8	0	0	0	105.8	S56	S56-I58 PolarHBondContact O-N 3.43Å
59	S	30	Very low	28.4	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	76%	0.755	S	S	*	*			trans	-70.3	133.4	167.6	-176.4	0	0	0	0	108.9	K57 E61	K57-S59 PolarHBondContact O-N 3.35Å; S59-E61 PolarHBondContact O-N 3.4Å
60	P	30.2	Very low	28.3	Very low	122 Å²	122	145.8 Å²	145.8	79%	0.792	77%	0.766	S	S	*	*			trans	-84.2	88.1	172.3	33.5	-28.5	0	0	0	108.9
61	E	29.4	Very low	28.7	Very low	165 Å²	165	142.2 Å²	142.2	77%	0.771	75%	0.75	S	S	*	*			trans	-102.8	100.4	156.2	-81.2	-170.6	174.4	0	0	108.2	S59 R63	S59-E61 PolarHBondContact O-N 3.4Å; E61-R63 PolarHBondContact O-N 2.91Å
62	S	31	Very low	29.2	Very low	121 Å²	121	137 Å²	137	85%	0.846	73%	0.731	S	S	*	*			trans	-69.1	79.9	168.8	52.6	0	0	0	0	109.8
63	R	25.9	Very low	29.9	Very low	221 Å²	221	134.6 Å²	134.6	83%	0.834	73%	0.727	S	S	*	*			trans	-93.7	111.4	149.9	-82.6	-174.5	-178.6	-171.5	0.5	106.7	E61 Q65	E61-R63 PolarHBondContact O-N 2.91Å; R63-Q65 PolarHBondContact O-N 3.41Å
64	I	32.7	Very low	30.7	Very low	151 Å²	151	134.8 Å²	134.8	77%	0.774	71%	0.712	S	S	*	*			trans	-60.8	92	161.1	-61.8	169.3	0	0	0	104.9	T66	I64-T66 PolarHBondContact O-N 2.69Å
65	Q	27	Very low	31.8	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.762	68%	0.681	S	S	*	*			trans	-57.8	119.2	145.8	-80.4	-178.7	-16.4	0	0	103.4	R63 V67	R63-Q65 PolarHBondContact O-N 3.41Å; Q65-V67 PolarHBondContact O-N 3.08Å
66	T	25.6	Very low	32.9	Very low	118 Å²	118	121.6 Å²	121.6	72%	0.724	65%	0.648	S	S	*	*			trans	-51.4	89.5	153.2	34.2	0	0	0	0	105.4	I64 Q68	I64-T66 PolarHBondContact O-N 2.69Å; T66-Q68 PolarHBondContact O-N 3.42Å
67	V	27.6	Very low	34.1	Very low	110 Å²	110	120.4 Å²	120.4	67%	0.667	63%	0.634	S	S	*	*			trans	-64.7	89.3	161	-179.2	0	0	0	0	101.4	Q65 C69	Q65-V67 PolarHBondContact O-N 3.08Å; V67-C69 PolarHBondContact O-N 2.7Å
68	Q	22.8	Very low	35.3	Very low	170 Å²	170	110.4 Å²	110.4	79%	0.794	59%	0.591	S	S	*	*			trans	-52	96.5	149	-90.2	161.9	-51.4	0	0	102.7	T66 E70	T66-Q68 PolarHBondContact O-N 3.42Å; Q68-E70 PolarHBondContact O-N 2.95Å
69	C	30.1	Very low	36.6	Very low	99 Å²	99	104 Å²	104	67%	0.669	56%	0.558	S	S	*	*			trans	-60	82.2	155.2	-68.2	0	0	0	0	103.2	V67 V71	V67-C69 PolarHBondContact O-N 2.7Å; C69-V71 PolarHBondContact O-N 3.44Å
70	E	28.4	Very low	37.8	Very low	175 Å²	175	103.7 Å²	103.7	82%	0.818	55%	0.553	S	S	*	*			trans	-43.1	105.7	137.9	-98.1	178.3	151.8	0	0	102.6	Q68 D72	Q68-E70 PolarHBondContact O-N 2.95Å; E70-D72 PolarHBondContact O-N 3.26Å
71	V	37.7	Very low	38.8	Very low	83 Å²	83	101.9 Å²	101.9	50%	0.503	53%	0.532	S	S	.	.			trans	-57.2	100.7	175.7	174.9	0	0	0	0	102.1	C69 S73 T76	C69-V71 PolarHBondContact O-N 3.44Å; V71-S73 PolarHBondContact O-N 3.27Å; V71-T76 VanDerWaalsContact CG1-OG1 3.3Å; V71-T76 WeakPolarHBondContact CG1-OG1 3.42Å
72	D	39.6	Very low	40	Very low	88 Å²	88	94 Å²	94	47%	0.471	50%	0.496	S	S	.	.			trans	-48.1	104.6	171	-88.6	-27.1	0	0	0	103.6	E70 Y74 Q75 T76	E70-D72 PolarHBondContact O-N 3.26Å; D72-Y74 CarbonylContact O-C 3.56Å; D72-Y74 PolarHBondContact O-N 3.05Å; D72-Q75 HydrophobicContact CB-CB 4.21Å; D72-Q75 HydrophobicContact CB-CG 3.8Å; D72-Q75 PolarHBondContact O-N 2.86Å; D72-Q75 PolarHBondContact OD2-NE2 2.96Å; D72-T76 PolarHBondContact O-N 2.82Å
73	S	44.6	Very low	41.4	Very low	87 Å²	87	93.5 Å²	93.5	61%	0.608	48%	0.478	S	S	*	.	H	α-helix	trans	-49.3	-36	177.1	46.2	0	0	0	0	108.8	V71 Q75 T76 D77	V71-S73 PolarHBondContact O-N 3.27Å; S73-Q75 PolarHBondContact O-N 3.37Å; S73-T76 PolarHBondContact O-N 2.99Å; S73-D77 PolarHBondContact O-N 3.04Å
74	Y	45.8	Very low	43	Very low	79 Å²	79	87.2 Å²	87.2	31%	0.31	47%	0.468	S	S	.	.	H	α-helix	trans	-47.1	-49.1	168	-164	-101.4	0	0	0	115.5	D72 D77 Q78 V93 P97	D72-Y74 CarbonylContact O-C 3.56Å; D72-Y74 PolarHBondContact O-N 3.05Å; Y74-D77 PolarHBondContact O-N 3.43Å; Y74-Q78 HydrophobicContact CD1-CG 4.46Å; Y74-Q78 HydrophobicContact CE1-CG 4.13Å; Y74-Q78 VanDerWaalsContact O-CG 3.24Å; Y74-Q78 WeakPolarHBondContact O-CG 3.4Å; Y74-Q78 PolarHBondContact O-N 3.29Å; Y74-Q78 PolarHBondContact OH-NE2 3.31Å; Y74-V93 PolarHBondContact OH-O 3.2Å; Y74-P97 HydrophobicContact CE1-CG 3.85Å; Y74-P97 HydrophobicContact CE2-CG 4.48Å; Y74-P97 VanDerWaalsContact OH-CD 3.25Å; Y74-P97 WeakPolarHBondContact OH-CD 3.36Å; Y74-P97 WeakPolarHBondContact OH-CG 3.36Å
75	Q	49.6	Very low	44.5	Very low	40 Å²	40	81.1 Å²	81.1	19%	0.187	44%	0.443	C	S	.	.	H	α-helix	trans	-69.9	-36.8	-178	-70.5	-179.2	25.1	0	0	112.5	D72 S73 Q78 I79	D72-Q75 HydrophobicContact CB-CB 4.21Å; D72-Q75 HydrophobicContact CB-CG 3.8Å; D72-Q75 PolarHBondContact O-N 2.86Å; D72-Q75 PolarHBondContact OD2-NE2 2.96Å; S73-Q75 PolarHBondContact O-N 3.37Å; Q75-Q78 PolarHBondContact O-N 3.27Å; Q75-I79 PolarHBondContact O-N 2.9Å
76	T	51.4	Low	47.1	Very low	21 Å²	21	74.9 Å²	74.9	13%	0.129	42%	0.422	C	S	.	.	H	α-helix	trans	-67	-42.6	176.9	-51.3	0	0	0	0	110.2	V71 D72 S73 Q78 I79 T80	V71-T76 VanDerWaalsContact CG1-OG1 3.3Å; V71-T76 WeakPolarHBondContact CG1-OG1 3.42Å; D72-T76 PolarHBondContact O-N 2.82Å; S73-T76 PolarHBondContact O-N 2.99Å; T76-Q78 VanDerWaalsContact C-N 3.35Å; T76-Q78 PolarHBondContact O-N 2.96Å; T76-I79 PolarHBondContact O-N 2.96Å; T76-T80 PolarHBondContact O-N 2.92Å; T76-T80 PolarHBondContact O-OG1 3.08Å; T76-T80 VanDerWaalsContact O-OG1 3.08Å
77	D	51.7	Low	49.9	Very low	64 Å²	64	70.5 Å²	70.5	34%	0.342	39%	0.394	S	S	.	.	H	α-helix	trans	-55.7	-46.8	174.1	-77.3	-18.2	0	0	0	111.8	S73 Y74 I79 T80 F81	S73-D77 PolarHBondContact O-N 3.04Å; Y74-D77 PolarHBondContact O-N 3.43Å; D77-I79 VanDerWaalsContact C-N 3.3Å; D77-I79 PolarHBondContact O-N 2.99Å; D77-T80 PolarHBondContact O-N 2.81Å; D77-T80 VanDerWaalsContact O-N 3.15Å; D77-F81 VanDerWaalsContact C-CD2 3.5Å; D77-F81 HydrophobicContact CB-CD2 4.14Å; D77-F81 HydrophobicContact CB-CE2 3.92Å; D77-F81 WeakPolarHBondContact O-CD2 3.41Å; D77-F81 PolarHBondContact O-N 3.33Å
78	Q	51.8	Low	52.7	Low	3 Å²	3	70.2 Å²	70.2	1%	0.014	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-36.7	-178.9	-59.7	-150.6	-30.4	0	0	113.3	Y74 Q75 T76 F81 A82 V93	Y74-Q78 HydrophobicContact CD1-CG 4.46Å; Y74-Q78 HydrophobicContact CE1-CG 4.13Å; Y74-Q78 VanDerWaalsContact O-CG 3.24Å; Y74-Q78 WeakPolarHBondContact O-CG 3.4Å; Y74-Q78 PolarHBondContact O-N 3.29Å; Y74-Q78 PolarHBondContact OH-NE2 3.31Å; Q75-Q78 PolarHBondContact O-N 3.27Å; T76-Q78 VanDerWaalsContact C-N 3.35Å; T76-Q78 PolarHBondContact O-N 2.96Å; Q78-F81 PolarHBondContact O-N 3.35Å; Q78-A82 PolarHBondContact O-N 3.03Å; Q78-A82 VanDerWaalsContact O-N 3.07Å; Q78-V93 HydrophobicContact CB-CG1 3.97Å; Q78-V93 HydrophobicContact CG-CG1 3.48Å; Q78-V93 VanDerWaalsContact CG-CG1 3.48Å; Q78-V93 VanDerWaalsContact NE2-CG1 3.27Å; Q78-V93 PolarHBondContact NE2-O 2.9Å
79	I	56	Low	55.5	Low	11 Å²	11	68 Å²	68	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-67.7	-42.5	177.9	-62.8	167.9	0	0	0	110.2	Q75 T76 D77 F81 A82 Q183	Q75-I79 PolarHBondContact O-N 2.9Å; T76-I79 PolarHBondContact O-N 2.96Å; D77-I79 VanDerWaalsContact C-N 3.3Å; D77-I79 PolarHBondContact O-N 2.99Å; I79-F81 VanDerWaalsContact C-N 3.34Å; I79-A82 PolarHBondContact O-N 3.46Å; I79-Q183 HydrophobicContact CG1-CG 4.45Å
80	T	54.3	Low	58.1	Low	87 Å²	87	63.3 Å²	63.3	53%	0.534	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-40.3	176.4	-43.2	0	0	0	0	111.1	T76 D77 A82 K83	T76-T80 PolarHBondContact O-N 2.92Å; T76-T80 PolarHBondContact O-OG1 3.08Å; T76-T80 VanDerWaalsContact O-OG1 3.08Å; D77-T80 PolarHBondContact O-N 2.81Å; D77-T80 VanDerWaalsContact O-N 3.15Å; T80-A82 PolarHBondContact O-N 3.27Å; T80-K83 PolarHBondContact O-N 3.43Å
81	F	52.2	Low	60.9	Low	83 Å²	83	57.2 Å²	57.2	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-66.5	-33.1	177.5	-77.1	-62.1	0	0	0	113.9	D77 Q78 I79 K83 S84 G85 V93	D77-F81 VanDerWaalsContact C-CD2 3.5Å; D77-F81 HydrophobicContact CB-CD2 4.14Å; D77-F81 HydrophobicContact CB-CE2 3.92Å; D77-F81 WeakPolarHBondContact O-CD2 3.41Å; D77-F81 PolarHBondContact O-N 3.33Å; Q78-F81 PolarHBondContact O-N 3.35Å; I79-F81 VanDerWaalsContact C-N 3.34Å; F81-K83 PolarHBondContact O-N 2.93Å; F81-S84 PolarHBondContact O-N 3.47Å; F81-G85 PolarHBondContact O-N 2.55Å; F81-V93 HydrophobicContact CB-CG2 4.3Å; F81-V93 HydrophobicContact CG-CG2 4.46Å
82	A	54.6	Low	63.2	Low	1 Å²	1	55.1 Å²	55.1	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-59.1	-33.8	175.9	0	0	0	0	0	112.3	Q78 I79 T80 Y90 H399 L402	Q78-A82 PolarHBondContact O-N 3.03Å; Q78-A82 VanDerWaalsContact O-N 3.07Å; I79-A82 PolarHBondContact O-N 3.46Å; T80-A82 PolarHBondContact O-N 3.27Å; A82-Y90 HydrophobicContact CB-CD2 4.03Å; A82-H399 PolarHBondContact O-CE1 3.02Å; A82-L402 HydrophobicContact CB-CB 4.27Å
83	K	59.3	Low	65.4	Low	109 Å²	109	52.1 Å²	52.1	47%	0.474	30%	0.3	S	S	.	.	H	α-helix	trans	-69.4	-36.5	178.6	-67.5	-176.3	177.1	-179.8	0	113.7	T80 F81	T80-K83 PolarHBondContact O-N 3.43Å; F81-K83 PolarHBondContact O-N 2.93Å
84	S	59.5	Low	67.3	Low	89 Å²	89	48 Å²	48	62%	0.622	27%	0.271	S	S	*	.	H	α-helix	trans	-92.1	-25.7	-168.7	152.4	0	0	0	0	114.4	F81	F81-S84 PolarHBondContact O-N 3.47Å
85	G	65.8	Low	69.3	Low	24 Å²	24	45.2 Å²	45.2	25%	0.247	26%	0.261	C	S	.	.	H	α-helix	trans	-112.3	-2	-163.1	0	0	0	0	0	117.7	F81 R89	F81-G85 PolarHBondContact O-N 2.55Å; G85-R89 VanDerWaalsContact CA-CD 3.43Å; G85-R89 VanDerWaalsContact O-CB 3.27Å; G85-R89 WeakPolarHBondContact O-CB 3.46Å
86	G	81.3	Confident	71.2	Confident	31 Å²	31	48.5 Å²	48.5	32%	0.32	28%	0.28	S	S	.	.	H	α-helix	trans	61	-170.8	-170.5	0	0	0	0	0	113.8	Y90	G86-Y90 PolarHBondContact O-N 3.23Å
87	I	84.7	Confident	73	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.138	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-45.9	-175.4	-62.7	175.4	0	0	0	113.3	R89 Y90 I91 Y392 L395 H399	I87-R89 PolarHBondContact O-N 2.8Å; I87-Y90 PolarHBondContact O-N 3.02Å; I87-I91 HydrophobicContact CG2-CD1 4.06Å; I87-I91 HydrophobicContact CG2-CG1 4.48Å; I87-I91 WeakPolarHBondContact O-CG1 3.27Å; I87-I91 PolarHBondContact O-N 3.04Å; I87-I91 VanDerWaalsContact O-N 3.09Å; I87-Y392 HydrophobicContact CD1-CE2 4.22Å; I87-L395 HydrophobicContact CG2-CD2 3.31Å; I87-L395 HydrophobicContact CG2-CG 3.98Å; I87-H399 HydrophobicContact CG1-CB 4.19Å
88	P	84.4	Confident	74.8	Confident	103 Å²	103	47.4 Å²	47.4	67%	0.669	28%	0.276	S	S	*	.	H	α-helix	trans	-63	-41.7	-176.5	-23.6	34.8	0	0	0	113.3	Y90 I91 G92	P88-Y90 VanDerWaalsContact C-N 3.35Å; P88-I91 PolarHBondContact O-N 3.07Å; P88-G92 PolarHBondContact O-N 2.97Å; P88-G92 VanDerWaalsContact O-N 3.08Å
89	R	82.4	Confident	76.7	Confident	123 Å²	123	50 Å²	50	46%	0.464	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-37.9	179.4	-163.2	179.7	-170.8	161	-4.2	111.4	G85 I87 G92 V93	G85-R89 VanDerWaalsContact CA-CD 3.43Å; G85-R89 VanDerWaalsContact O-CB 3.27Å; G85-R89 WeakPolarHBondContact O-CB 3.46Å; I87-R89 PolarHBondContact O-N 2.8Å; R89-G92 PolarHBondContact O-N 3.44Å; R89-V93 WeakPolarHBondContact O-CG2 3.27Å; R89-V93 PolarHBondContact O-N 3.37Å
90	Y	85.7	Confident	78.4	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-45.4	175.1	175.8	-110.8	0	0	0	111.8	A82 G86 I87 P88 G92 V93 L94 M180 Q183 L395 L402	A82-Y90 HydrophobicContact CB-CD2 4.03Å; G86-Y90 PolarHBondContact O-N 3.23Å; I87-Y90 PolarHBondContact O-N 3.02Å; P88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-G92 VanDerWaalsContact C-N 3.3Å; Y90-G92 PolarHBondContact O-N 3.25Å; Y90-V93 PolarHBondContact O-N 3.48Å; Y90-L94 HydrophobicContact CE1-CD2 4.24Å; Y90-L94 VanDerWaalsContact O-CB 3.23Å; Y90-L94 WeakPolarHBondContact O-CB 3.35Å; Y90-L94 PolarHBondContact O-N 3.32Å; Y90-M180 WeakPolarHBondContact OH-CG 3.35Å; Y90-Q183 PolarHBondContact OH-OE1 3.24Å; Y90-L395 HydrophobicContact CD1-CD1 4.15Å; Y90-L395 HydrophobicContact CE1-CD1 4.03Å; Y90-L402 HydrophobicContact CE1-CD1 4.26Å; Y90-L402 HydrophobicContact CE2-CD1 3.69Å; Y90-L402 VanDerWaalsContact OH-CD1 3.31Å; Y90-L402 WeakPolarHBondContact OH-CD1 3.36Å
91	I	86.7	Confident	80.2	Confident	47 Å²	47	56 Å²	56	24%	0.241	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-44.2	174.2	-64.2	170.5	0	0	0	110.7	I87 P88 L94 I95 F215 L395	I87-I91 HydrophobicContact CG2-CD1 4.06Å; I87-I91 HydrophobicContact CG2-CG1 4.48Å; I87-I91 WeakPolarHBondContact O-CG1 3.27Å; I87-I91 PolarHBondContact O-N 3.04Å; I87-I91 VanDerWaalsContact O-N 3.09Å; P88-I91 PolarHBondContact O-N 3.07Å; I91-L94 WeakPolarHBondContact O-CB 3.42Å; I91-L94 PolarHBondContact O-N 2.89Å; I91-I95 HydrophobicContact CG2-CD1 3.49Å; I91-I95 VanDerWaalsContact CG2-CD1 3.49Å; I91-I95 HydrophobicContact CG2-CG1 4.38Å; I91-I95 WeakPolarHBondContact O-CD1 3.3Å; I91-I95 VanDerWaalsContact O-CG1 3.27Å; I91-I95 WeakPolarHBondContact O-CG1 3.33Å; I91-I95 PolarHBondContact O-N 2.94Å; I91-F215 HydrophobicContact CG1-CZ 4.32Å; I91-L395 HydrophobicContact CD1-CD2 3.63Å; I91-L395 HydrophobicContact CG1-CD2 3.86Å
92	G	85.7	Confident	82.1	Confident	40 Å²	40	52.9 Å²	52.9	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-48.4	178.6	0	0	0	0	0	113	P88 R89 Y90 L94 I95 L96	P88-G92 PolarHBondContact O-N 2.97Å; P88-G92 VanDerWaalsContact O-N 3.08Å; R89-G92 PolarHBondContact O-N 3.44Å; Y90-G92 VanDerWaalsContact C-N 3.3Å; Y90-G92 PolarHBondContact O-N 3.25Å; G92-L94 VanDerWaalsContact C-N 3.29Å; G92-L94 PolarHBondContact O-N 3.29Å; G92-I95 PolarHBondContact O-N 2.96Å; G92-L96 PolarHBondContact O-N 3.34Å
93	V	84.8	Confident	84	Confident	25 Å²	25	59.5 Å²	59.5	15%	0.152	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-36.4	178.1	169.9	0	0	0	0	111.7	Y74 Q78 F81 R89 Y90 I95	Y74-V93 PolarHBondContact OH-O 3.2Å; Q78-V93 HydrophobicContact CB-CG1 3.97Å; Q78-V93 HydrophobicContact CG-CG1 3.48Å; Q78-V93 VanDerWaalsContact CG-CG1 3.48Å; Q78-V93 VanDerWaalsContact NE2-CG1 3.27Å; Q78-V93 PolarHBondContact NE2-O 2.9Å; F81-V93 HydrophobicContact CB-CG2 4.3Å; F81-V93 HydrophobicContact CG-CG2 4.46Å; R89-V93 WeakPolarHBondContact O-CG2 3.27Å; R89-V93 PolarHBondContact O-N 3.37Å; Y90-V93 PolarHBondContact O-N 3.48Å; V93-I95 VanDerWaalsContact C-N 3.32Å; V93-I95 PolarHBondContact O-N 3.25Å
94	L	86.4	Confident	85.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-34.7	179	-174.6	62.9	0	0	0	112.3	Y90 I91 G92 M176 R179 M180 F215	Y90-L94 HydrophobicContact CE1-CD2 4.24Å; Y90-L94 VanDerWaalsContact O-CB 3.23Å; Y90-L94 WeakPolarHBondContact O-CB 3.35Å; Y90-L94 PolarHBondContact O-N 3.32Å; I91-L94 WeakPolarHBondContact O-CB 3.42Å; I91-L94 PolarHBondContact O-N 2.89Å; G92-L94 VanDerWaalsContact C-N 3.29Å; G92-L94 PolarHBondContact O-N 3.29Å; L94-M176 HydrophobicContact CD1-CG 3.95Å; L94-M176 HydrophobicContact CD2-CG 3.35Å; L94-M176 HydrophobicContact CD2-SD 3.49Å; L94-M176 WeakPolarHBondContact CD2-SD 3.41Å; L94-M176 HydrophobicContact CG-CB 4.45Å; L94-M176 HydrophobicContact CG-CG 3.51Å; L94-M176 HydrophobicContact CG-SD 3.95Å; L94-R179 HydrophobicContact CD1-CB 3.83Å; L94-R179 PolarHBondContact O-NH1 3.38Å; L94-M180 HydrophobicContact CD1-CG 4.02Å; L94-M180 HydrophobicContact CD2-CG 3.89Å; L94-M180 HydrophobicContact CD2-SD 3.89Å; L94-F215 HydrophobicContact CD2-CE1 4.27Å
95	I	87.2	Confident	87.2	Confident	20 Å²	20	51.3 Å²	51.3	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-86.8	-25.2	-179.8	-66.7	168.1	0	0	0	112.4	I91 G92 V93 P97 D98 C99 L102 F219	I91-I95 HydrophobicContact CG2-CD1 3.49Å; I91-I95 VanDerWaalsContact CG2-CD1 3.49Å; I91-I95 HydrophobicContact CG2-CG1 4.38Å; I91-I95 WeakPolarHBondContact O-CD1 3.3Å; I91-I95 VanDerWaalsContact O-CG1 3.27Å; I91-I95 WeakPolarHBondContact O-CG1 3.33Å; I91-I95 PolarHBondContact O-N 2.94Å; G92-I95 PolarHBondContact O-N 2.96Å; V93-I95 VanDerWaalsContact C-N 3.32Å; V93-I95 PolarHBondContact O-N 3.25Å; I95-P97 VanDerWaalsContact C-CD 3.47Å; I95-P97 VanDerWaalsContact O-N 3.13Å; I95-D98 CarbonylContact O-C 3.48Å; I95-D98 WeakPolarHBondContact O-CA 3.38Å; I95-D98 PolarHBondContact O-N 3.47Å; I95-C99 PolarHBondContact O-N 2.93Å; I95-C99 VanDerWaalsContact O-N 3.07Å; I95-C99 PolarHBondContact O-SG 3.16Å; I95-L102 HydrophobicContact CD1-CD2 4.32Å; I95-L102 HydrophobicContact CG2-CD2 3.39Å; I95-F219 HydrophobicContact CD1-CE2 3.5Å; I95-F219 VanDerWaalsContact CD1-CE2 3.5Å; I95-F219 HydrophobicContact CD1-CZ 3.54Å; I95-F219 HydrophobicContact CG1-CE2 4.27Å; I95-F219 HydrophobicContact CG1-CZ 3.96Å
96	L	88.7	Confident	88.6	Confident	110 Å²	110	53.1 Å²	53.1	58%	0.576	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-45.2	-49.1	-171	-173.7	65.8	0	0	0	114.6	G92 D98 C99	G92-L96 PolarHBondContact O-N 3.34Å; L96-D98 PolarHBondContact O-N 2.78Å; L96-C99 WeakPolarHBondContact CA-SG 3.45Å; L96-C99 WeakPolarHBondContact O-CB 3.45Å; L96-C99 PolarHBondContact O-N 2.72Å; L96-C99 PolarHBondContact O-SG 2.93Å
97	P	89.1	Confident	89.2	Confident	59 Å²	59	56.1 Å²	56.1	38%	0.383	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-69	-20.2	-179.5	-21.2	36	0	0	0	114.4	Y74 I95	Y74-P97 HydrophobicContact CE1-CG 3.85Å; Y74-P97 HydrophobicContact CE2-CG 4.48Å; Y74-P97 VanDerWaalsContact OH-CD 3.25Å; Y74-P97 WeakPolarHBondContact OH-CD 3.36Å; Y74-P97 WeakPolarHBondContact OH-CG 3.36Å; I95-P97 VanDerWaalsContact C-CD 3.47Å; I95-P97 VanDerWaalsContact O-N 3.13Å
98	D	90.6	Very high	89.6	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-109.9	14	-176.2	-62.3	-69.1	0	0	0	111.6	I95 L96 V100 Y101 L102 V172 R175 R179	I95-D98 CarbonylContact O-C 3.48Å; I95-D98 WeakPolarHBondContact O-CA 3.38Å; I95-D98 PolarHBondContact O-N 3.47Å; L96-D98 PolarHBondContact O-N 2.78Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.47Å; D98-Y101 PolarHBondContact O-N 2.87Å; D98-L102 WeakPolarHBondContact O-CB 3.42Å; D98-L102 PolarHBondContact O-N 3.18Å; D98-V172 HydrophobicContact CB-CG1 4.05Å; D98-V172 HydrophobicContact CB-CG2 4.1Å; D98-R175 WeakPolarHBondContact OD1-CD 3.43Å; D98-R175 IonicContact OD1-CZ 3.72Å; D98-R175 IonicContact OD1-NE 3.81Å; D98-R175 IonicContact OD1-NH1 2.81Å; D98-R175 PolarHBondContact OD1-NH1 2.98Å; D98-R179 IonicContact OD2-CZ 3.54Å; D98-R179 IonicContact OD2-NH1 2.81Å; D98-R179 PolarHBondContact OD2-NH1 3.01Å; D98-R179 IonicContact OD2-NH2 3.44Å; D98-R179 PolarHBondContact OD2-NH2 3.37Å
99	C	90.4	Very high	90	Very high	56 Å²	56	50.4 Å²	50.4	38%	0.378	27%	0.274	S	S	.	.	H	α-helix	trans	-57.4	-39.5	-177.6	-82	0	0	0	0	113.1	I95 L96 L102 F103	I95-C99 PolarHBondContact O-N 2.93Å; I95-C99 VanDerWaalsContact O-N 3.07Å; I95-C99 PolarHBondContact O-SG 3.16Å; L96-C99 WeakPolarHBondContact CA-SG 3.45Å; L96-C99 WeakPolarHBondContact O-CB 3.45Å; L96-C99 PolarHBondContact O-N 2.72Å; L96-C99 PolarHBondContact O-SG 2.93Å; C99-L102 PolarHBondContact O-N 3.43Å; C99-F103 WeakPolarHBondContact O-CB 3.29Å; C99-F103 PolarHBondContact O-N 3.04Å
100	V	91.8	Very high	90.6	Very high	122 Å²	122	49.4 Å²	49.4	74%	0.739	27%	0.273	S	S	*	.	H	α-helix	trans	-65.2	-46.4	179.1	179.8	0	0	0	0	111	D98 L102 F103 G104	D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.47Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 3.06Å; V100-F103 PolarHBondContact O-N 2.91Å; V100-G104 PolarHBondContact O-N 3.36Å
101	Y	92.1	Very high	91	Very high	104 Å²	104	51.1 Å²	51.1	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-38.9	176.2	-65.7	-83.1	0	0	0	111.3	D98 G104 A105 L168	D98-Y101 PolarHBondContact O-N 2.87Å; Y101-G104 PolarHBondContact O-N 3.37Å; Y101-A105 PolarHBondContact O-N 3.47Å; Y101-L168 HydrophobicContact CD1-CD2 3.81Å
102	L	93.2	Very high	91.3	Very high	17 Å²	17	48.9 Å²	48.9	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-42.9	177	-177.7	66.6	0	0	0	111.8	I95 D98 C99 V100 G104 A105 I106 L169 V172 F219 I223	I95-L102 HydrophobicContact CD1-CD2 4.32Å; I95-L102 HydrophobicContact CG2-CD2 3.39Å; D98-L102 WeakPolarHBondContact O-CB 3.42Å; D98-L102 PolarHBondContact O-N 3.18Å; C99-L102 PolarHBondContact O-N 3.43Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 3.06Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 2.98Å; L102-A105 WeakPolarHBondContact O-CB 3.4Å; L102-A105 PolarHBondContact O-N 3.46Å; L102-A105 VanDerWaalsContact O-N 3.15Å; L102-I106 HydrophobicContact CD1-CD1 4.41Å; L102-I106 HydrophobicContact CD2-CD1 4.37Å; L102-I106 HydrophobicContact CG-CD1 3.93Å; L102-I106 HydrophobicContact CG-CG1 4.46Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.43Å; L102-L169 HydrophobicContact CD1-CD1 3.82Å; L102-V172 HydrophobicContact CB-CG2 4.49Å; L102-F219 HydrophobicContact CD1-CE1 4.47Å; L102-F219 HydrophobicContact CD1-CZ 4.32Å; L102-F219 HydrophobicContact CD2-CZ 4.44Å; L102-I223 HydrophobicContact CD1-CD1 3.5Å; L102-I223 VanDerWaalsContact CD1-CD1 3.5Å; L102-I223 HydrophobicContact CD1-CG2 4.27Å; L102-I223 HydrophobicContact CD2-CD1 4.29Å; L102-I223 HydrophobicContact CG-CD1 4.45Å
103	F	93.5	Very high	91.7	Very high	140 Å²	140	47 Å²	47	61%	0.614	25%	0.253	S	S	*	.	H	α-helix	trans	-60.4	-45.2	175.7	-178.1	-97.2	0	0	0	111.1	C99 V100 A105 I106 L107	C99-F103 WeakPolarHBondContact O-CB 3.29Å; C99-F103 PolarHBondContact O-N 3.04Å; V100-F103 PolarHBondContact O-N 2.91Å; F103-A105 VanDerWaalsContact C-N 3.29Å; F103-A105 PolarHBondContact O-N 3.46Å; F103-I106 PolarHBondContact O-N 3.38Å; F103-L107 WeakPolarHBondContact O-CB 3.48Å; F103-L107 PolarHBondContact O-N 2.94Å
104	G	93.4	Very high	92.1	Very high	25 Å²	25	47.5 Å²	47.5	26%	0.258	26%	0.256	S	S	.	.	H	α-helix	trans	-58.8	-39.2	173.1	0	0	0	0	0	113	V100 Y101 L102 G108	V100-G104 PolarHBondContact O-N 3.36Å; Y101-G104 PolarHBondContact O-N 3.37Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 2.98Å; G104-G108 PolarHBondContact O-N 3.39Å
105	A	93.5	Very high	92.5	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-42.8	175	0	0	0	0	0	112.7	Y101 L102 F103 L107 G108 A109 Y165 L168 L169	Y101-A105 PolarHBondContact O-N 3.47Å; L102-A105 WeakPolarHBondContact O-CB 3.4Å; L102-A105 PolarHBondContact O-N 3.46Å; L102-A105 VanDerWaalsContact O-N 3.15Å; F103-A105 VanDerWaalsContact C-N 3.29Å; F103-A105 PolarHBondContact O-N 3.46Å; A105-L107 VanDerWaalsContact C-N 3.35Å; A105-G108 PolarHBondContact O-N 3.29Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 2.89Å; A105-Y165 VanDerWaalsContact O-CB 3.22Å; A105-Y165 WeakPolarHBondContact O-CB 3.39Å; A105-L168 HydrophobicContact CB-CB 3.92Å; A105-L169 HydrophobicContact CB-CB 4.02Å
106	I	94.3	Very high	92.7	Very high	62 Å²	62	49.9 Å²	49.9	32%	0.318	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-44.9	176.5	-72.9	167.8	0	0	0	110.2	L102 F103 A109 F110 I223 L227	L102-I106 HydrophobicContact CD1-CD1 4.41Å; L102-I106 HydrophobicContact CD2-CD1 4.37Å; L102-I106 HydrophobicContact CG-CD1 3.93Å; L102-I106 HydrophobicContact CG-CG1 4.46Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 3.43Å; F103-I106 PolarHBondContact O-N 3.38Å; I106-A109 PolarHBondContact O-N 2.83Å; I106-F110 WeakPolarHBondContact O-CB 3.37Å; I106-F110 PolarHBondContact O-N 2.86Å; I106-I223 HydrophobicContact CG1-CG2 3.84Å; I106-L227 HydrophobicContact CB-CD2 4.45Å; I106-L227 HydrophobicContact CG2-CD2 3.81Å
107	L	94.1	Very high	93	Very high	94 Å²	94	45.3 Å²	45.3	49%	0.492	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-46.5	177.1	-175.8	66.3	0	0	0	111.5	F103 A105 A109 F110 V111	F103-L107 WeakPolarHBondContact O-CB 3.48Å; F103-L107 PolarHBondContact O-N 2.94Å; A105-L107 VanDerWaalsContact C-N 3.35Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.96Å; L107-F110 WeakPolarHBondContact O-CB 3.49Å; L107-F110 PolarHBondContact O-N 2.99Å; L107-V111 WeakPolarHBondContact O-CG2 3.36Å; L107-V111 PolarHBondContact O-N 3.34Å
108	G	93.4	Very high	93.2	Very high	9 Å²	9	47.5 Å²	47.5	9%	0.093	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-40.5	175.8	0	0	0	0	0	112.7	G104 A105 A112 S161	G104-G108 PolarHBondContact O-N 3.39Å; A105-G108 PolarHBondContact O-N 3.29Å; G108-A112 WeakPolarHBondContact O-CB 3.3Å; G108-A112 PolarHBondContact O-N 2.98Å; G108-S161 WeakPolarHBondContact O-CB 3.15Å
109	A	93.4	Very high	93.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-38.5	175.4	0	0	0	0	0	111.9	A105 I106 L107 A113 Y165 L227	A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 2.89Å; I106-A109 PolarHBondContact O-N 2.83Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 2.96Å; A109-A113 WeakPolarHBondContact O-CB 3.38Å; A109-A113 PolarHBondContact O-N 3.39Å; A109-Y165 HydrophobicContact CB-CD1 4.16Å; A109-Y165 HydrophobicContact CB-CD2 4.38Å; A109-Y165 HydrophobicContact CB-CG 4.07Å; A109-L227 HydrophobicContact CB-CD2 4.29Å
110	F	94.1	Very high	93.5	Very high	101 Å²	101	45.9 Å²	45.9	44%	0.443	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-51.5	174.9	-179.4	-89.6	0	0	0	111.5	I106 L107 A112 A113 V114 I231	I106-F110 WeakPolarHBondContact O-CB 3.37Å; I106-F110 PolarHBondContact O-N 2.86Å; L107-F110 WeakPolarHBondContact O-CB 3.49Å; L107-F110 PolarHBondContact O-N 2.99Å; F110-A112 VanDerWaalsContact C-N 3.32Å; F110-A112 PolarHBondContact O-N 2.82Å; F110-A113 WeakPolarHBondContact O-CA 3.28Å; F110-A113 WeakPolarHBondContact O-CB 3.21Å; F110-A113 PolarHBondContact O-N 3.37Å; F110-V114 HydrophobicContact CD1-CG2 4.06Å; F110-V114 HydrophobicContact CE1-CG2 3.66Å; F110-V114 HydrophobicContact CE2-CG2 4.38Å; F110-V114 HydrophobicContact CZ-CG2 3.82Å; F110-V114 WeakPolarHBondContact O-CG2 3.48Å; F110-V114 PolarHBondContact O-N 3.07Å; F110-I231 HydrophobicContact CB-CD1 4.41Å; F110-I231 HydrophobicContact CD2-CD1 3.41Å; F110-I231 VanDerWaalsContact CD2-CD1 3.41Å; F110-I231 HydrophobicContact CD2-CG1 4.45Å; F110-I231 HydrophobicContact CE2-CD1 4.01Å; F110-I231 HydrophobicContact CG-CD1 4.25Å
111	V	94.5	Very high	93.6	Very high	38 Å²	38	42.1 Å²	42.1	23%	0.23	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-44.1	177.7	175.6	0	0	0	0	110.7	L107 A113 V114 M115 L157 S161	L107-V111 WeakPolarHBondContact O-CG2 3.36Å; L107-V111 PolarHBondContact O-N 3.34Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.04Å; V111-V114 PolarHBondContact O-N 3.11Å; V111-M115 HydrophobicContact CG1-CG 4.33Å; V111-M115 WeakPolarHBondContact O-CB 3.44Å; V111-M115 VanDerWaalsContact O-CG 3.27Å; V111-M115 WeakPolarHBondContact O-CG 3.4Å; V111-M115 PolarHBondContact O-N 3.23Å; V111-L157 HydrophobicContact CG1-CD1 4.19Å; V111-L157 HydrophobicContact CG1-CD2 4.25Å; V111-L157 HydrophobicContact CG1-CG 3.99Å; V111-S161 VanDerWaalsContact CG1-OG 3.27Å; V111-S161 WeakPolarHBondContact CG1-OG 3.44Å
112	A	93.5	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-34.5	175.8	0	0	0	0	0	112.8	G108 F110 N116 Y165	G108-A112 WeakPolarHBondContact O-CB 3.3Å; G108-A112 PolarHBondContact O-N 2.98Å; F110-A112 VanDerWaalsContact C-N 3.32Å; F110-A112 PolarHBondContact O-N 2.82Å; A112-N116 PolarHBondContact O-N 3.32Å; A112-N116 PolarHBondContact O-ND2 2.97Å; A112-Y165 HydrophobicContact CB-CD1 4.32Å; A112-Y165 HydrophobicContact CB-CE1 4Å
113	A	93.7	Very high	93.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.1	-48.1	176	0	0	0	0	0	111.5	A109 F110 V111 M115 N116 V117 R228 I231 Q232	A109-A113 WeakPolarHBondContact O-CB 3.38Å; A109-A113 PolarHBondContact O-N 3.39Å; F110-A113 WeakPolarHBondContact O-CA 3.28Å; F110-A113 WeakPolarHBondContact O-CB 3.21Å; F110-A113 PolarHBondContact O-N 3.37Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.04Å; A113-M115 PolarHBondContact O-N 3.03Å; A113-N116 WeakPolarHBondContact O-CB 3.35Å; A113-N116 PolarHBondContact O-N 2.9Å; A113-V117 PolarHBondContact O-N 3.34Å; A113-R228 HydrophobicContact CB-CB 4.26Å; A113-R228 HydrophobicContact CB-CG 3.75Å; A113-I231 HydrophobicContact CB-CB 3.8Å; A113-I231 HydrophobicContact CB-CD1 4.02Å; A113-I231 HydrophobicContact CB-CG2 3.71Å; A113-Q232 HydrophobicContact CB-CG 4.42Å
114	V	93.9	Very high	93.5	Very high	35 Å²	35	34.8 Å²	34.8	21%	0.212	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-46	178.5	172.5	0	0	0	0	110.7	F110 V111 N116 V117 Y118 I231	F110-V114 HydrophobicContact CD1-CG2 4.06Å; F110-V114 HydrophobicContact CE1-CG2 3.66Å; F110-V114 HydrophobicContact CE2-CG2 4.38Å; F110-V114 HydrophobicContact CZ-CG2 3.82Å; F110-V114 WeakPolarHBondContact O-CG2 3.48Å; F110-V114 PolarHBondContact O-N 3.07Å; V111-V114 PolarHBondContact O-N 3.11Å; V114-N116 VanDerWaalsContact C-N 3.29Å; V114-N116 PolarHBondContact O-N 3.37Å; V114-V117 WeakPolarHBondContact O-CB 3.4Å; V114-V117 PolarHBondContact O-N 3.03Å; V114-Y118 HydrophobicContact CG1-CD2 3.62Å; V114-Y118 HydrophobicContact CG1-CE2 3.44Å; V114-Y118 VanDerWaalsContact CG1-CE2 3.44Å; V114-Y118 VanDerWaalsContact O-CD2 3.28Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 3.09Å; V114-Y118 VanDerWaalsContact O-N 3.11Å; V114-I231 HydrophobicContact CG2-CG2 4.43Å
115	M	93.2	Very high	93.4	Very high	33 Å²	33	36.8 Å²	36.8	16%	0.163	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-39.1	176	-67.8	-61.6	136.7	0	0	112.1	V111 A113 V117 Y118 I119 L157 Q158	V111-M115 HydrophobicContact CG1-CG 4.33Å; V111-M115 WeakPolarHBondContact O-CB 3.44Å; V111-M115 VanDerWaalsContact O-CG 3.27Å; V111-M115 WeakPolarHBondContact O-CG 3.4Å; V111-M115 PolarHBondContact O-N 3.23Å; A113-M115 PolarHBondContact O-N 3.03Å; M115-V117 VanDerWaalsContact C-N 3.26Å; M115-V117 PolarHBondContact O-N 3.27Å; M115-Y118 PolarHBondContact O-N 3.1Å; M115-I119 WeakPolarHBondContact O-CD1 3.35Å; M115-I119 WeakPolarHBondContact O-CG1 3.42Å; M115-I119 PolarHBondContact O-N 2.89Å; M115-L157 HydrophobicContact CE-CD2 3.52Å; M115-L157 HydrophobicContact CE-CG 4.46Å; M115-L157 HydrophobicContact CG-CD2 4.29Å; M115-L157 HydrophobicContact CG-CG 4.29Å; M115-L157 HydrophobicContact SD-CD2 3.89Å; M115-L157 HydrophobicContact SD-CG 4.43Å; M115-Q158 HydrophobicContact CB-CB 3.96Å; M115-Q158 HydrophobicContact CB-CG 4.39Å
116	N	92.8	Very high	93.3	Very high	37 Å²	37	39.2 Å²	39.2	20%	0.198	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-29.8	174.7	-90.6	-67.3	0	0	0	113.8	A112 A113 V114 P120 Q158 Q232	A112-N116 PolarHBondContact O-N 3.32Å; A112-N116 PolarHBondContact O-ND2 2.97Å; A113-N116 WeakPolarHBondContact O-CB 3.35Å; A113-N116 PolarHBondContact O-N 2.9Å; V114-N116 VanDerWaalsContact C-N 3.29Å; V114-N116 PolarHBondContact O-N 3.37Å; N116-P120 WeakPolarHBondContact O-CD 3.1Å; N116-Q158 PolarHBondContact ND2-NE2 2.97Å; N116-Q158 PolarHBondContact OD1-NE2 3.21Å; N116-Q232 HydrophobicContact CB-CG 4.13Å; N116-Q232 PolarHBondContact ND2-NE2 3.42Å; N116-Q232 VanDerWaalsContact ND2-NE2 3.1Å
117	V	94.3	Very high	93.2	Very high	15 Å²	15	38.1 Å²	38.1	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-76.7	-36.9	176.4	175.2	0	0	0	0	110.9	A113 V114 M115 P120 Q232 A239	A113-V117 PolarHBondContact O-N 3.34Å; V114-V117 WeakPolarHBondContact O-CB 3.4Å; V114-V117 PolarHBondContact O-N 3.03Å; M115-V117 VanDerWaalsContact C-N 3.26Å; M115-V117 PolarHBondContact O-N 3.27Å; V117-P120 WeakPolarHBondContact O-CD 3.29Å; V117-Q232 HydrophobicContact CG2-CG 4.36Å; V117-A239 HydrophobicContact CG1-CB 4.47Å
118	Y	93.6	Very high	92.9	Very high	105 Å²	105	34.1 Å²	34.1	41%	0.412	17%	0.171	S	C	.	.	H	α-helix	trans	-79.2	-29.6	-180	-76.6	-69	0	0	0	114.6	V114 M115 L121 Y122	V114-Y118 HydrophobicContact CG1-CD2 3.62Å; V114-Y118 HydrophobicContact CG1-CE2 3.44Å; V114-Y118 VanDerWaalsContact CG1-CE2 3.44Å; V114-Y118 VanDerWaalsContact O-CD2 3.28Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 3.09Å; V114-Y118 VanDerWaalsContact O-N 3.11Å; M115-Y118 PolarHBondContact O-N 3.1Å; Y118-L121 HydrophobicContact CD1-CD1 3.99Å; Y118-L121 HydrophobicContact CE1-CD1 4.42Å; Y118-L121 WeakPolarHBondContact O-CB 3.45Å; Y118-L121 PolarHBondContact O-N 2.95Å; Y118-Y122 PolarHBondContact O-N 3.39Å
119	I	94.6	Very high	92.7	Very high	18 Å²	18	34.3 Å²	34.3	9%	0.092	17%	0.171	C	C	.	.	H	α-helix	trans	-52.9	-47.5	-179.1	-76.9	159.3	0	0	0	112.5	M115 L121 Y122 L123 Y155	M115-I119 WeakPolarHBondContact O-CD1 3.35Å; M115-I119 WeakPolarHBondContact O-CG1 3.42Å; M115-I119 PolarHBondContact O-N 2.89Å; I119-L121 VanDerWaalsContact C-N 3.3Å; I119-L121 PolarHBondContact O-N 2.75Å; I119-Y122 PolarHBondContact O-N 3.11Å; I119-L123 WeakPolarHBondContact O-CB 3.18Å; I119-L123 PolarHBondContact O-N 3.42Å; I119-Y155 HydrophobicContact CD1-CD1 3.84Å; I119-Y155 HydrophobicContact CD1-CE1 3.78Å; I119-Y155 HydrophobicContact CG1-CD1 4.37Å; I119-Y155 HydrophobicContact CG1-CE1 4.09Å; I119-Y155 HydrophobicContact CG2-CE1 3.77Å
120	P	93.7	Very high	92.4	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.039	19%	0.187	C	C	.	.	H	α-helix	trans	-57	-37.7	173.7	-30	37.3	0	0	0	114.8	N116 V117 L123 G124 A369 T370	N116-P120 WeakPolarHBondContact O-CD 3.1Å; V117-P120 WeakPolarHBondContact O-CD 3.29Å; P120-L123 PolarHBondContact O-N 2.97Å; P120-G124 PolarHBondContact O-N 2.89Å; P120-A369 HydrophobicContact CB-CB 3.8Å; P120-A369 HydrophobicContact CG-CB 4.38Å; P120-T370 VanDerWaalsContact CB-OG1 3.29Å; P120-T370 WeakPolarHBondContact CB-OG1 3.42Å
121	L	92.5	Very high	92	Very high	44 Å²	44	34.6 Å²	34.6	23%	0.23	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-45.6	178.8	-60.6	175	0	0	0	110.9	Y118 I119 L123 G124 D125 A239 I243	Y118-L121 HydrophobicContact CD1-CD1 3.99Å; Y118-L121 HydrophobicContact CE1-CD1 4.42Å; Y118-L121 WeakPolarHBondContact O-CB 3.45Å; Y118-L121 PolarHBondContact O-N 2.95Å; I119-L121 VanDerWaalsContact C-N 3.3Å; I119-L121 PolarHBondContact O-N 2.75Å; L121-L123 VanDerWaalsContact C-N 3.26Å; L121-L123 PolarHBondContact O-N 3.47Å; L121-G124 WeakPolarHBondContact O-CA 3.39Å; L121-G124 PolarHBondContact O-N 2.75Å; L121-D125 PolarHBondContact O-N 3.28Å; L121-A239 HydrophobicContact CD1-CB 4.45Å; L121-A239 HydrophobicContact CD2-CB 4.43Å; L121-I243 HydrophobicContact CD2-CD1 3.7Å; L121-I243 HydrophobicContact CD2-CG1 4Å
122	Y	93	Very high	91.6	Very high	59 Å²	59	39.8 Å²	39.8	23%	0.231	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-31	175.6	-62.4	-30.3	0	0	0	112.7	Y118 I119 G124 D125 F126	Y118-Y122 PolarHBondContact O-N 3.39Å; I119-Y122 PolarHBondContact O-N 3.11Å; Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-D125 PolarHBondContact O-N 2.94Å; Y122-F126 PolarHBondContact O-N 3.49Å
123	L	92.9	Very high	91.2	Very high	47 Å²	47	40.4 Å²	40.4	25%	0.246	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-38	171.6	-173.5	66.3	0	0	0	110.9	I119 P120 L121 F126 V127 L151 M365 A369	I119-L123 WeakPolarHBondContact O-CB 3.18Å; I119-L123 PolarHBondContact O-N 3.42Å; P120-L123 PolarHBondContact O-N 2.97Å; L121-L123 VanDerWaalsContact C-N 3.26Å; L121-L123 PolarHBondContact O-N 3.47Å; L123-F126 WeakPolarHBondContact O-CB 3.39Å; L123-F126 PolarHBondContact O-N 2.92Å; L123-V127 WeakPolarHBondContact O-CG2 3.42Å; L123-V127 PolarHBondContact O-N 3.29Å; L123-V127 VanDerWaalsContact O-N 3.08Å; L123-L151 HydrophobicContact CD1-CD1 4.49Å; L123-M365 HydrophobicContact CD2-CE 3.72Å; L123-M365 HydrophobicContact CG-CE 4.43Å; L123-A369 HydrophobicContact CD2-CB 4.36Å
124	G	92.1	Very high	90.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-49.7	169.8	0	0	0	0	0	113.6	P120 L121 Y122 F126 V127 S128 G362 S366	P120-G124 PolarHBondContact O-N 2.89Å; L121-G124 WeakPolarHBondContact O-CA 3.39Å; L121-G124 PolarHBondContact O-N 2.75Å; Y122-G124 VanDerWaalsContact C-N 3.31Å; G124-F126 PolarHBondContact O-N 2.98Å; G124-V127 CarbonylContact O-C 3.5Å; G124-V127 WeakPolarHBondContact O-CA 3.27Å; G124-V127 PolarHBondContact O-N 3.34Å; G124-S128 PolarHBondContact O-N 2.7Å; G124-S128 PolarHBondContact O-OG 2.78Å; G124-G362 VanDerWaalsContact CA-O 3.22Å; G124-G362 WeakPolarHBondContact CA-O 3.2Å; G124-G362 WeakPolarHBondContact O-CA 3.15Å; G124-S366 WeakPolarHBondContact CA-OG 3.22Å
125	D	90.8	Very high	90	Very high	66 Å²	66	49 Å²	49	35%	0.353	25%	0.252	S	S	.	.	H	α-helix	trans	-55.9	-39.8	177.3	-71.4	-15.9	0	0	0	111.7	L121 Y122 S129	L121-D125 PolarHBondContact O-N 3.28Å; Y122-D125 PolarHBondContact O-N 2.94Å; D125-S129 WeakPolarHBondContact O-CB 3.38Å; D125-S129 PolarHBondContact O-N 3.18Å; D125-S129 PolarHBondContact O-OG 3.23Å
126	F	91.8	Very high	89.5	Confident	53 Å²	53	51 Å²	51	23%	0.232	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-47.5	173.9	178.8	-84.6	0	0	0	111.2	Y122 L123 G124 S129 L130 V144 P147 T148 L151	Y122-F126 PolarHBondContact O-N 3.49Å; L123-F126 WeakPolarHBondContact O-CB 3.39Å; L123-F126 PolarHBondContact O-N 2.92Å; G124-F126 PolarHBondContact O-N 2.98Å; F126-S129 PolarHBondContact O-N 3.34Å; F126-L130 WeakPolarHBondContact O-CB 3.32Å; F126-L130 PolarHBondContact O-N 3.03Å; F126-V144 HydrophobicContact CD2-CG1 3.8Å; F126-V144 HydrophobicContact CE2-CG1 3.17Å; F126-V144 HydrophobicContact CZ-CG1 3.83Å; F126-P147 HydrophobicContact CB-CB 3.9Å; F126-P147 HydrophobicContact CD2-CB 4.2Å; F126-T148 WeakPolarHBondContact CE2-OG1 3.22Å; F126-L151 HydrophobicContact CB-CD1 4.05Å; F126-L151 HydrophobicContact CD2-CD1 4.31Å; F126-L151 HydrophobicContact CG-CD1 4.33Å
127	V	90.9	Very high	88.7	Confident	38 Å²	38	57.4 Å²	57.4	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-66.5	-40	178.5	171.8	0	0	0	0	112.2	L123 G124 S129 L130 S131 M365	L123-V127 WeakPolarHBondContact O-CG2 3.42Å; L123-V127 PolarHBondContact O-N 3.29Å; L123-V127 VanDerWaalsContact O-N 3.08Å; G124-V127 CarbonylContact O-C 3.5Å; G124-V127 WeakPolarHBondContact O-CA 3.27Å; G124-V127 PolarHBondContact O-N 3.34Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.32Å; V127-L130 WeakPolarHBondContact O-CB 3.47Å; V127-L130 PolarHBondContact O-N 3.48Å; V127-S131 WeakPolarHBondContact O-CB 3.4Å; V127-S131 PolarHBondContact O-N 2.7Å; V127-M365 HydrophobicContact CB-CB 4.49Å; V127-M365 HydrophobicContact CG1-CB 4.42Å; V127-M365 HydrophobicContact CG2-CB 4.42Å; V127-M365 HydrophobicContact CG2-CG 4.09Å
128	S	88.9	Confident	87.8	Confident	11 Å²	11	62.3 Å²	62.3	8%	0.077	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-37.4	173.1	-73.9	0	0	0	0	112.2	G124 R132 D360 G362	G124-S128 PolarHBondContact O-N 2.7Å; G124-S128 PolarHBondContact O-OG 2.78Å; S128-R132 WeakPolarHBondContact O-CB 3.49Å; S128-R132 WeakPolarHBondContact O-CG 3.37Å; S128-R132 PolarHBondContact O-N 2.87Å; S128-R132 PolarHBondContact O-NE 2.94Å; S128-D360 WeakPolarHBondContact CB-OD2 3.45Å; S128-D360 PolarHBondContact OG-OD2 3.18Å; S128-G362 VanDerWaalsContact OG-CA 3.28Å; S128-G362 WeakPolarHBondContact OG-CA 3.17Å
129	S	88	Confident	87.1	Confident	13 Å²	13	59.5 Å²	59.5	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-71.5	-37	176.5	-54.2	0	0	0	0	111.4	D125 F126 V127 R132 C133	D125-S129 WeakPolarHBondContact O-CB 3.38Å; D125-S129 PolarHBondContact O-N 3.18Å; D125-S129 PolarHBondContact O-OG 3.23Å; F126-S129 PolarHBondContact O-N 3.34Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.32Å; S129-R132 PolarHBondContact OG-NH2 2.87Å; S129-C133 WeakPolarHBondContact O-CB 3.38Å; S129-C133 PolarHBondContact O-N 2.9Å
130	L	87.5	Confident	86.5	Confident	64 Å²	64	64.2 Å²	64.2	34%	0.335	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-47.9	173.3	-174.1	66.8	0	0	0	111.8	F126 V127 R132 C133 V134 F140	F126-L130 WeakPolarHBondContact O-CB 3.32Å; F126-L130 PolarHBondContact O-N 3.03Å; V127-L130 WeakPolarHBondContact O-CB 3.47Å; V127-L130 PolarHBondContact O-N 3.48Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.85Å; L130-C133 PolarHBondContact O-N 3.45Å; L130-V134 WeakPolarHBondContact O-CG2 3.46Å; L130-V134 PolarHBondContact O-N 3.49Å; L130-F140 HydrophobicContact CD1-CD2 4.24Å; L130-F140 HydrophobicContact CD1-CE2 3.62Å
131	S	86.1	Confident	86	Confident	43 Å²	43	69.2 Å²	69.2	30%	0.301	37%	0.369	S	S	.	.	H	α-helix	trans	-56.8	-46.4	176.2	-176.9	0	0	0	0	111.1	V127 V134 V135	V127-S131 WeakPolarHBondContact O-CB 3.4Å; V127-S131 PolarHBondContact O-N 2.7Å; S131-V134 PolarHBondContact O-N 3.28Å; S131-V135 WeakPolarHBondContact O-CG2 3.5Å; S131-V135 PolarHBondContact O-N 2.88Å
132	R	84.8	Confident	85.4	Confident	147 Å²	147	70.9 Å²	70.9	56%	0.555	39%	0.385	S	S	*	.	H	α-helix	trans	-63.6	-41.8	175.7	-78.7	-177.1	-71.2	163.7	-2.1	113.3	S128 S129 L130 V134 V135 T136	S128-R132 WeakPolarHBondContact O-CB 3.49Å; S128-R132 WeakPolarHBondContact O-CG 3.37Å; S128-R132 PolarHBondContact O-N 2.87Å; S128-R132 PolarHBondContact O-NE 2.94Å; S129-R132 PolarHBondContact OG-NH2 2.87Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.85Å; R132-V134 VanDerWaalsContact C-N 3.3Å; R132-V134 PolarHBondContact O-N 2.71Å; R132-V135 PolarHBondContact O-N 2.65Å; R132-T136 WeakPolarHBondContact O-CB 3.28Å; R132-T136 WeakPolarHBondContact O-CG2 3.5Å; R132-T136 PolarHBondContact O-N 3.28Å; R132-T136 PolarHBondContact O-OG1 2.96Å
133	C	85.7	Confident	84.9	Confident	14 Å²	14	68.9 Å²	68.9	10%	0.095	38%	0.381	C	S	.	.	H	α-helix	trans	-60.8	-39.4	177.4	174.8	0	0	0	0	111.8	S129 L130 V135 H137 E138 A143	S129-C133 WeakPolarHBondContact O-CB 3.38Å; S129-C133 PolarHBondContact O-N 2.9Å; L130-C133 PolarHBondContact O-N 3.45Å; C133-V135 VanDerWaalsContact C-N 3.33Å; C133-V135 PolarHBondContact O-N 2.82Å; C133-H137 WeakPolarHBondContact O-CA 3.3Å; C133-H137 PolarHBondContact O-N 2.95Å; C133-E138 PolarHBondContact SG-O 2.9Å; C133-A143 HydrophobicContact CB-CB 4.07Å
134	V	81.3	Confident	84.6	Confident	102 Å²	102	67 Å²	67	62%	0.618	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-38.1	175.7	174.3	0	0	0	0	111.9	L130 S131 R132	L130-V134 WeakPolarHBondContact O-CG2 3.46Å; L130-V134 PolarHBondContact O-N 3.49Å; S131-V134 PolarHBondContact O-N 3.28Å; R132-V134 VanDerWaalsContact C-N 3.3Å; R132-V134 PolarHBondContact O-N 2.71Å
135	V	81.4	Confident	84.4	Confident	113 Å²	113	73.9 Å²	73.9	69%	0.685	40%	0.397	S	S	*	.	H	α-helix	trans	-79.3	-39	-179.3	177	0	0	0	0	112.6	S131 R132 C133	S131-V135 WeakPolarHBondContact O-CG2 3.5Å; S131-V135 PolarHBondContact O-N 2.88Å; R132-V135 PolarHBondContact O-N 2.65Å; C133-V135 VanDerWaalsContact C-N 3.33Å; C133-V135 PolarHBondContact O-N 2.82Å
136	T	82.5	Confident	84.4	Confident	75 Å²	75	73.1 Å²	73.1	46%	0.46	40%	0.395	S	S	.	.	H	α-helix	trans	-90.9	-12.9	-173.7	55	0	0	0	0	114.1	R132 E138	R132-T136 WeakPolarHBondContact O-CB 3.28Å; R132-T136 WeakPolarHBondContact O-CG2 3.5Å; R132-T136 PolarHBondContact O-N 3.28Å; R132-T136 PolarHBondContact O-OG1 2.96Å; T136-E138 PolarHBondContact O-N 3.31Å
137	H	76.5	Confident	84.3	Confident	171 Å²	171	71 Å²	71	79%	0.792	39%	0.387	S	S	*	.			trans	55.4	23.1	-170.7	-62.2	-77.2	0	0	0	114.1	C133	C133-H137 WeakPolarHBondContact O-CA 3.3Å; C133-H137 PolarHBondContact O-N 2.95Å
138	E	74.9	Confident	84.3	Confident	118 Å²	118	71.6 Å²	71.6	55%	0.551	39%	0.39	S	S	*	.			trans	-61.7	156.8	171.4	-78	-175.9	-178.5	0	0	111.9	C133 T136 F140	C133-E138 PolarHBondContact SG-O 2.9Å; T136-E138 PolarHBondContact O-N 3.31Å; E138-F140 PolarHBondContact O-N 2.97Å; E138-F140 VanDerWaalsContact O-N 3.1Å
139	G	79.5	Confident	84.5	Confident	46 Å²	46	76.5 Å²	76.5	47%	0.474	42%	0.415	S	S	.	.			trans	-55	117.2	174.3	0	0	0	0	0	111.7	V141 S142 A143	G139-V141 PolarHBondContact O-N 3.39Å; G139-V141 VanDerWaalsContact O-N 3.12Å; G139-S142 PolarHBondContact O-N 3.38Å; G139-S142 PolarHBondContact O-OG 2.9Å; G139-A143 PolarHBondContact O-N 3.45Å; G139-A143 VanDerWaalsContact O-N 3.17Å
140	F	81.8	Confident	84.7	Confident	117 Å²	117	81.5 Å²	81.5	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-48.3	-44.5	-178.1	175.3	-96.8	0	0	0	112.8	L130 E138 A143 V144	L130-F140 HydrophobicContact CD1-CD2 4.24Å; L130-F140 HydrophobicContact CD1-CE2 3.62Å; E138-F140 PolarHBondContact O-N 2.97Å; E138-F140 VanDerWaalsContact O-N 3.1Å; F140-A143 PolarHBondContact O-N 3.23Å; F140-V144 HydrophobicContact CD2-CG2 4.18Å; F140-V144 HydrophobicContact CE2-CG2 4.03Å; F140-V144 HydrophobicContact CZ-CG2 4.31Å; F140-V144 VanDerWaalsContact O-CB 3.27Å; F140-V144 WeakPolarHBondContact O-CB 3.43Å; F140-V144 VanDerWaalsContact O-CG2 3.27Å; F140-V144 WeakPolarHBondContact O-CG2 3.14Å; F140-V144 PolarHBondContact O-N 2.92Å; F140-V144 VanDerWaalsContact O-N 3.1Å
141	V	82.5	Confident	85	Confident	111 Å²	111	79.1 Å²	79.1	67%	0.673	42%	0.42	S	S	*	.	H	α-helix	trans	-65.4	-44.7	-177.8	-177.8	0	0	0	0	111.5	G139 A143 V144 Y145	G139-V141 PolarHBondContact O-N 3.39Å; G139-V141 VanDerWaalsContact O-N 3.12Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.5Å; V141-V144 PolarHBondContact O-N 2.98Å; V141-Y145 WeakPolarHBondContact O-CB 3.39Å; V141-Y145 PolarHBondContact O-N 3.2Å
142	S	80.6	Confident	85.4	Confident	79 Å²	79	80.3 Å²	80.3	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-67.9	-34.2	-178.7	47.8	0	0	0	0	112.7	G139 Y145	G139-S142 PolarHBondContact O-N 3.38Å; G139-S142 PolarHBondContact O-OG 2.9Å; S142-Y145 WeakPolarHBondContact O-CD1 3.27Å
143	A	81.5	Confident	85.8	Confident	18 Å²	18	76.3 Å²	76.3	15%	0.149	42%	0.422	C	S	.	.	H	α-helix	trans	-72.8	-33.8	177.4	0	0	0	0	0	112.6	C133 G139 F140 V141	C133-A143 HydrophobicContact CB-CB 4.07Å; G139-A143 PolarHBondContact O-N 3.45Å; G139-A143 VanDerWaalsContact O-N 3.17Å; F140-A143 PolarHBondContact O-N 3.23Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.5Å
144	V	86.7	Confident	86.2	Confident	7 Å²	7	75.9 Å²	75.9	4%	0.042	42%	0.419	C	S	.	.	H	α-helix	trans	-102.1	-16.7	-167.6	177.6	0	0	0	0	113.6	F126 F140 V141 V146 P147 T148	F126-V144 HydrophobicContact CD2-CG1 3.8Å; F126-V144 HydrophobicContact CE2-CG1 3.17Å; F126-V144 HydrophobicContact CZ-CG1 3.83Å; F140-V144 HydrophobicContact CD2-CG2 4.18Å; F140-V144 HydrophobicContact CE2-CG2 4.03Å; F140-V144 HydrophobicContact CZ-CG2 4.31Å; F140-V144 VanDerWaalsContact O-CB 3.27Å; F140-V144 WeakPolarHBondContact O-CB 3.43Å; F140-V144 VanDerWaalsContact O-CG2 3.27Å; F140-V144 WeakPolarHBondContact O-CG2 3.14Å; F140-V144 PolarHBondContact O-N 2.92Å; F140-V144 VanDerWaalsContact O-N 3.1Å; V141-V144 PolarHBondContact O-N 2.98Å; V144-V146 PolarHBondContact O-N 2.92Å; V144-P147 WeakPolarHBondContact O-CD 3.22Å; V144-T148 VanDerWaalsContact CG1-OG1 3.29Å; V144-T148 WeakPolarHBondContact CG1-OG1 3.42Å; V144-T148 VanDerWaalsContact O-CB 3.3Å; V144-T148 WeakPolarHBondContact O-CB 3.4Å; V144-T148 PolarHBondContact O-N 3.35Å; V144-T148 VanDerWaalsContact O-N 3.08Å; V144-T148 PolarHBondContact O-OG1 2.9Å
145	Y	89.4	Confident	86.8	Confident	145 Å²	145	75.9 Å²	75.9	57%	0.569	41%	0.409	S	S	*	.	H	α-helix	trans	-62.3	-42.4	-175.1	96.2	-89.4	0	0	0	113.3	V141 S142 T148 L149	V141-Y145 WeakPolarHBondContact O-CB 3.39Å; V141-Y145 PolarHBondContact O-N 3.2Å; S142-Y145 WeakPolarHBondContact O-CD1 3.27Å; Y145-T148 PolarHBondContact O-N 3.36Å; Y145-L149 WeakPolarHBondContact O-CB 3.43Å; Y145-L149 PolarHBondContact O-N 3.05Å
146	V	89.9	Confident	87.5	Confident	51 Å²	51	76.6 Å²	76.6	31%	0.309	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-52.3	-177.6	-179.7	0	0	0	0	111.5	V144 T148 L149 R150	V144-V146 PolarHBondContact O-N 2.92Å; V146-T148 VanDerWaalsContact C-N 3.28Å; V146-T148 PolarHBondContact O-N 3.47Å; V146-L149 PolarHBondContact O-N 3.22Å; V146-R150 WeakPolarHBondContact O-CG 3.33Å; V146-R150 PolarHBondContact O-N 2.62Å
147	P	90.2	Very high	88.1	Confident	8 Å²	8	76.5 Å²	76.5	5%	0.052	40%	0.404	C	S	.	.	H	α-helix	trans	-59.7	-38.6	175.9	-23.7	33.7	0	0	0	112.7	F126 V144 R150 L151	F126-P147 HydrophobicContact CB-CB 3.9Å; F126-P147 HydrophobicContact CD2-CB 4.2Å; V144-P147 WeakPolarHBondContact O-CD 3.22Å; P147-R150 PolarHBondContact O-N 2.84Å; P147-L151 PolarHBondContact O-N 3.44Å
148	T	91.3	Very high	89	Confident	50 Å²	50	69.8 Å²	69.8	31%	0.307	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-43.2	178.4	-56.3	0	0	0	0	111.8	F126 V144 Y145 V146 L151 C152	F126-T148 WeakPolarHBondContact CE2-OG1 3.22Å; V144-T148 VanDerWaalsContact CG1-OG1 3.29Å; V144-T148 WeakPolarHBondContact CG1-OG1 3.42Å; V144-T148 VanDerWaalsContact O-CB 3.3Å; V144-T148 WeakPolarHBondContact O-CB 3.4Å; V144-T148 PolarHBondContact O-N 3.35Å; V144-T148 VanDerWaalsContact O-N 3.08Å; V144-T148 PolarHBondContact O-OG1 2.9Å; Y145-T148 PolarHBondContact O-N 3.36Å; V146-T148 VanDerWaalsContact C-N 3.28Å; V146-T148 PolarHBondContact O-N 3.47Å; T148-L151 PolarHBondContact O-N 2.98Å; T148-C152 WeakPolarHBondContact O-CB 3.27Å; T148-C152 PolarHBondContact O-N 3.5Å; T148-C152 PolarHBondContact O-SG 2.88Å
149	L	92.8	Very high	90	Very high	114 Å²	114	67.6 Å²	67.6	60%	0.597	37%	0.371	S	S	*	.	H	α-helix	trans	-67	-37.2	178.3	-171.3	130.1	0	0	0	111.9	Y145 V146 S153	Y145-L149 WeakPolarHBondContact O-CB 3.43Å; Y145-L149 PolarHBondContact O-N 3.05Å; V146-L149 PolarHBondContact O-N 3.22Å; L149-S153 WeakPolarHBondContact O-CB 3.49Å; L149-S153 PolarHBondContact O-N 3.37Å; L149-S153 PolarHBondContact O-OG 3.06Å
150	R	92.7	Very high	90.7	Very high	118 Å²	118	70.2 Å²	70.2	45%	0.445	37%	0.373	S	S	.	.	H	α-helix	trans	-62.6	-45	171.3	-71.2	179.6	-176.3	174.2	1.6	111.9	V146 P147 S153 S154	V146-R150 WeakPolarHBondContact O-CG 3.33Å; V146-R150 PolarHBondContact O-N 2.62Å; P147-R150 PolarHBondContact O-N 2.84Å; R150-S153 PolarHBondContact O-OG 3.36Å; R150-S154 VanDerWaalsContact O-CB 3.3Å; R150-S154 WeakPolarHBondContact O-CB 3.28Å; R150-S154 PolarHBondContact O-N 2.78Å; R150-S154 PolarHBondContact O-OG 3.47Å
151	L	93.1	Very high	91.3	Very high	15 Å²	15	65 Å²	65	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-50.3	175.4	-78.3	170.6	0	0	0	111.7	L123 F126 P147 T148 S153 S154 Y155	L123-L151 HydrophobicContact CD1-CD1 4.49Å; F126-L151 HydrophobicContact CB-CD1 4.05Å; F126-L151 HydrophobicContact CD2-CD1 4.31Å; F126-L151 HydrophobicContact CG-CD1 4.33Å; P147-L151 PolarHBondContact O-N 3.44Å; T148-L151 PolarHBondContact O-N 2.98Å; L151-S153 PolarHBondContact O-N 3.46Å; L151-S154 PolarHBondContact O-N 2.99Å; L151-S154 PolarHBondContact O-OG 2.83Å; L151-Y155 HydrophobicContact CB-CD2 4.48Å; L151-Y155 HydrophobicContact CB-CE2 4.19Å; L151-Y155 HydrophobicContact CD2-CE2 4.25Å; L151-Y155 WeakPolarHBondContact O-CD2 3.17Å; L151-Y155 PolarHBondContact O-N 3.1Å
152	C	94.3	Very high	91.9	Very high	68 Å²	68	61.5 Å²	61.5	46%	0.459	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-47.8	179.8	-68.7	0	0	0	0	112.2	T148 S154 Y155 L156	T148-C152 WeakPolarHBondContact O-CB 3.27Å; T148-C152 PolarHBondContact O-N 3.5Å; T148-C152 PolarHBondContact O-SG 2.88Å; C152-S154 VanDerWaalsContact C-N 3.34Å; C152-S154 PolarHBondContact O-N 3.5Å; C152-Y155 PolarHBondContact O-N 2.88Å; C152-L156 WeakPolarHBondContact O-CG 3.36Å; C152-L156 PolarHBondContact O-N 3.31Å
153	S	94.1	Very high	92.5	Very high	63 Å²	63	64.9 Å²	64.9	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-38.4	177	57.2	0	0	0	0	112.3	L149 R150 L151 L156 L157	L149-S153 WeakPolarHBondContact O-CB 3.49Å; L149-S153 PolarHBondContact O-N 3.37Å; L149-S153 PolarHBondContact O-OG 3.06Å; R150-S153 PolarHBondContact O-OG 3.36Å; L151-S153 PolarHBondContact O-N 3.46Å; S153-L156 PolarHBondContact O-N 3.49Å; S153-L157 VanDerWaalsContact O-CB 3.29Å; S153-L157 WeakPolarHBondContact O-CB 3.39Å; S153-L157 PolarHBondContact O-N 3.31Å
154	S	93.3	Very high	93.1	Very high	4 Å²	4	68 Å²	68	3%	0.028	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-41.7	175.9	76	0	0	0	0	112.9	R150 L151 C152 L157 Q158	R150-S154 VanDerWaalsContact O-CB 3.3Å; R150-S154 WeakPolarHBondContact O-CB 3.28Å; R150-S154 PolarHBondContact O-N 2.78Å; R150-S154 PolarHBondContact O-OG 3.47Å; L151-S154 PolarHBondContact O-N 2.99Å; L151-S154 PolarHBondContact O-OG 2.83Å; C152-S154 VanDerWaalsContact C-N 3.34Å; C152-S154 PolarHBondContact O-N 3.5Å; S154-L157 PolarHBondContact O-N 3.17Å; S154-Q158 WeakPolarHBondContact O-CB 3.19Å; S154-Q158 PolarHBondContact O-N 3.4Å
155	Y	94.8	Very high	93.5	Very high	103 Å²	103	68 Å²	68	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-40.5	176.9	-71.9	-52.1	0	0	0	112.1	I119 L151 C152 S159	I119-Y155 HydrophobicContact CD1-CD1 3.84Å; I119-Y155 HydrophobicContact CD1-CE1 3.78Å; I119-Y155 HydrophobicContact CG1-CD1 4.37Å; I119-Y155 HydrophobicContact CG1-CE1 4.09Å; I119-Y155 HydrophobicContact CG2-CE1 3.77Å; L151-Y155 HydrophobicContact CB-CD2 4.48Å; L151-Y155 HydrophobicContact CB-CE2 4.19Å; L151-Y155 HydrophobicContact CD2-CE2 4.25Å; L151-Y155 WeakPolarHBondContact O-CD2 3.17Å; L151-Y155 PolarHBondContact O-N 3.1Å; C152-Y155 PolarHBondContact O-N 2.88Å; Y155-S159 VanDerWaalsContact O-CB 3.27Å; Y155-S159 WeakPolarHBondContact O-CB 3.29Å; Y155-S159 PolarHBondContact O-N 2.92Å; Y155-S159 PolarHBondContact O-OG 3.13Å
156	L	95.8	Very high	93.7	Very high	127 Å²	127	65.7 Å²	65.7	67%	0.665	35%	0.345	S	S	*	.	H	α-helix	trans	-63.7	-47.4	175.3	-73.1	173.9	0	0	0	111.2	C152 S153 S159 L160	C152-L156 WeakPolarHBondContact O-CG 3.36Å; C152-L156 PolarHBondContact O-N 3.31Å; S153-L156 PolarHBondContact O-N 3.49Å; L156-S159 PolarHBondContact O-N 3.45Å; L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 PolarHBondContact O-N 2.96Å
157	L	95.6	Very high	93.9	Very high	73 Å²	73	65.2 Å²	65.2	38%	0.382	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-42.2	179.4	-179	56.6	0	0	0	111.9	V111 M115 S153 S154 S161	V111-L157 HydrophobicContact CG1-CD1 4.19Å; V111-L157 HydrophobicContact CG1-CD2 4.25Å; V111-L157 HydrophobicContact CG1-CG 3.99Å; M115-L157 HydrophobicContact CE-CD2 3.52Å; M115-L157 HydrophobicContact CE-CG 4.46Å; M115-L157 HydrophobicContact CG-CD2 4.29Å; M115-L157 HydrophobicContact CG-CG 4.29Å; M115-L157 HydrophobicContact SD-CD2 3.89Å; M115-L157 HydrophobicContact SD-CG 4.43Å; S153-L157 VanDerWaalsContact O-CB 3.29Å; S153-L157 WeakPolarHBondContact O-CB 3.39Å; S153-L157 PolarHBondContact O-N 3.31Å; S154-L157 PolarHBondContact O-N 3.17Å; L157-S161 WeakPolarHBondContact O-CB 3.48Å; L157-S161 PolarHBondContact O-N 3.01Å; L157-S161 PolarHBondContact O-OG 3.43Å
158	Q	94.2	Very high	94.1	Very high	31 Å²	31	67.1 Å²	67.1	15%	0.145	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-45.7	174	-178.2	-167.5	33.1	0	0	111.5	M115 N116 S154 S161 T162	M115-Q158 HydrophobicContact CB-CB 3.96Å; M115-Q158 HydrophobicContact CB-CG 4.39Å; N116-Q158 PolarHBondContact ND2-NE2 2.97Å; N116-Q158 PolarHBondContact OD1-NE2 3.21Å; S154-Q158 WeakPolarHBondContact O-CB 3.19Å; S154-Q158 PolarHBondContact O-N 3.4Å; Q158-S161 PolarHBondContact O-N 3.4Å; Q158-T162 VanDerWaalsContact O-CB 3.28Å; Q158-T162 WeakPolarHBondContact O-CB 3.48Å; Q158-T162 PolarHBondContact O-N 3.42Å; Q158-T162 PolarHBondContact O-OG1 2.98Å
159	S	95.2	Very high	94.3	Very high	72 Å²	72	64.9 Å²	64.9	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-45.5	-178.4	-61.6	0	0	0	0	111.7	Y155 L156 T162 F163	Y155-S159 VanDerWaalsContact O-CB 3.27Å; Y155-S159 WeakPolarHBondContact O-CB 3.29Å; Y155-S159 PolarHBondContact O-N 2.92Å; Y155-S159 PolarHBondContact O-OG 3.13Å; L156-S159 PolarHBondContact O-N 3.45Å; S159-T162 WeakPolarHBondContact O-CB 3.4Å; S159-T162 PolarHBondContact O-N 3.07Å; S159-F163 PolarHBondContact O-N 3.47Å
160	L	95.7	Very high	94.3	Very high	100 Å²	100	60.5 Å²	60.5	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-46.9	175.6	179.8	62	0	0	0	111.3	L156 T162 F163 L164	L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 PolarHBondContact O-N 2.96Å; L160-T162 PolarHBondContact O-N 2.82Å; L160-F163 PolarHBondContact O-N 3.1Å; L160-L164 HydrophobicContact CD1-CD1 4.31Å; L160-L164 HydrophobicContact CD1-CG 4.4Å; L160-L164 HydrophobicContact CG-CD1 4.14Å; L160-L164 WeakPolarHBondContact O-CG 3.5Å; L160-L164 PolarHBondContact O-N 3.18Å
161	S	94.5	Very high	94.4	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-39	176.6	-58.6	0	0	0	0	111.2	G108 V111 L157 Q158 L164 Y165	G108-S161 WeakPolarHBondContact O-CB 3.15Å; V111-S161 VanDerWaalsContact CG1-OG 3.27Å; V111-S161 WeakPolarHBondContact CG1-OG 3.44Å; L157-S161 WeakPolarHBondContact O-CB 3.48Å; L157-S161 PolarHBondContact O-N 3.01Å; L157-S161 PolarHBondContact O-OG 3.43Å; Q158-S161 PolarHBondContact O-N 3.4Å; S161-L164 PolarHBondContact O-N 3.37Å; S161-Y165 WeakPolarHBondContact O-CD1 3.33Å; S161-Y165 PolarHBondContact O-N 2.98Å
162	T	94.1	Very high	94.5	Very high	37 Å²	37	57 Å²	57	23%	0.227	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-46.1	177.7	-60.2	0	0	0	0	112.7	Q158 S159 L160 Y165 I166	Q158-T162 VanDerWaalsContact O-CB 3.28Å; Q158-T162 WeakPolarHBondContact O-CB 3.48Å; Q158-T162 PolarHBondContact O-N 3.42Å; Q158-T162 PolarHBondContact O-OG1 2.98Å; S159-T162 WeakPolarHBondContact O-CB 3.4Å; S159-T162 PolarHBondContact O-N 3.07Å; L160-T162 PolarHBondContact O-N 2.82Å; T162-Y165 VanDerWaalsContact CA-CD1 3.48Å; T162-Y165 HydrophobicContact CG2-CE1 3.91Å; T162-I166 HydrophobicContact CG2-CD1 3.63Å; T162-I166 HydrophobicContact CG2-CG1 4.4Å; T162-I166 WeakPolarHBondContact O-CB 3.34Å; T162-I166 WeakPolarHBondContact O-CG1 3.36Å; T162-I166 PolarHBondContact O-N 3.27Å; T162-I166 VanDerWaalsContact O-N 3.13Å
163	F	94.6	Very high	94.5	Very high	149 Å²	149	53.7 Å²	53.7	65%	0.654	30%	0.3	S	S	*	.	H	α-helix	trans	-59.5	-49.7	175	175.4	-97.8	0	0	0	111.7	S159 L160 I166 G167	S159-F163 PolarHBondContact O-N 3.47Å; L160-F163 PolarHBondContact O-N 3.1Å; F163-I166 PolarHBondContact O-N 3.08Å; F163-G167 PolarHBondContact O-N 3.23Å
164	L	93.5	Very high	94.5	Very high	83 Å²	83	55 Å²	55	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-50.9	-178.4	-70.8	173.3	0	0	0	111.6	L160 S161 I166 G167 L168	L160-L164 HydrophobicContact CD1-CD1 4.31Å; L160-L164 HydrophobicContact CD1-CG 4.4Å; L160-L164 HydrophobicContact CG-CD1 4.14Å; L160-L164 WeakPolarHBondContact O-CG 3.5Å; L160-L164 PolarHBondContact O-N 3.18Å; S161-L164 PolarHBondContact O-N 3.37Å; L164-I166 PolarHBondContact O-N 2.88Å; L164-G167 PolarHBondContact O-N 3.47Å; L164-L168 WeakPolarHBondContact O-CB 3.08Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.27Å
165	Y	93.9	Very high	94.6	Very high	9 Å²	9	59.8 Å²	59.8	4%	0.035	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-37.6	-176.7	84.2	-113.4	0	0	0	112.4	A105 A109 A112 S161 T162 L169 R228	A105-Y165 VanDerWaalsContact O-CB 3.22Å; A105-Y165 WeakPolarHBondContact O-CB 3.39Å; A109-Y165 HydrophobicContact CB-CD1 4.16Å; A109-Y165 HydrophobicContact CB-CD2 4.38Å; A109-Y165 HydrophobicContact CB-CG 4.07Å; A112-Y165 HydrophobicContact CB-CD1 4.32Å; A112-Y165 HydrophobicContact CB-CE1 4Å; S161-Y165 WeakPolarHBondContact O-CD1 3.33Å; S161-Y165 PolarHBondContact O-N 2.98Å; T162-Y165 VanDerWaalsContact CA-CD1 3.48Å; T162-Y165 HydrophobicContact CG2-CE1 3.91Å; Y165-L169 WeakPolarHBondContact O-CB 3.44Å; Y165-L169 PolarHBondContact O-N 2.9Å; Y165-R228 PolarHBondContact OH-NH1 2.84Å
166	I	94	Very high	94.5	Very high	96 Å²	96	55 Å²	55	49%	0.492	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-45.3	179.4	-68.2	174.2	0	0	0	110.2	T162 F163 L164 G170	T162-I166 HydrophobicContact CG2-CD1 3.63Å; T162-I166 HydrophobicContact CG2-CG1 4.4Å; T162-I166 WeakPolarHBondContact O-CB 3.34Å; T162-I166 WeakPolarHBondContact O-CG1 3.36Å; T162-I166 PolarHBondContact O-N 3.27Å; T162-I166 VanDerWaalsContact O-N 3.13Å; F163-I166 PolarHBondContact O-N 3.08Å; L164-I166 PolarHBondContact O-N 2.88Å; I166-G170 PolarHBondContact O-N 2.99Å
167	G	94.2	Very high	94.4	Very high	40 Å²	40	48.9 Å²	48.9	41%	0.412	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-46.6	179.6	0	0	0	0	0	113.1	F163 L164 G170 S171	F163-G167 PolarHBondContact O-N 3.23Å; L164-G167 PolarHBondContact O-N 3.47Å; G167-G170 PolarHBondContact O-N 3.32Å; G167-S171 PolarHBondContact O-N 2.73Å; G167-S171 VanDerWaalsContact O-N 3.07Å; G167-S171 PolarHBondContact O-OG 2.97Å
168	L	94.8	Very high	94.4	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.251	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-50.7	178.1	-68.4	172.5	0	0	0	111	Y101 A105 L164 G170 S171 V172	Y101-L168 HydrophobicContact CD1-CD2 3.81Å; A105-L168 HydrophobicContact CB-CB 3.92Å; L164-L168 WeakPolarHBondContact O-CB 3.08Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.27Å; L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 2.87Å; L168-S171 WeakPolarHBondContact O-CB 3.43Å; L168-S171 PolarHBondContact O-N 3.28Å; L168-S171 VanDerWaalsContact O-N 3.13Å; L168-V172 WeakPolarHBondContact O-CG2 3.22Å; L168-V172 PolarHBondContact O-N 3.36Å
169	L	94.4	Very high	94.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-33.2	-179.3	-170.2	61.5	0	0	0	112.5	L102 A105 Y165 G173 F219 K220 I223	L102-L169 HydrophobicContact CD1-CD1 3.82Å; A105-L169 HydrophobicContact CB-CB 4.02Å; Y165-L169 WeakPolarHBondContact O-CB 3.44Å; Y165-L169 PolarHBondContact O-N 2.9Å; L169-G173 PolarHBondContact O-N 3.44Å; L169-F219 HydrophobicContact CD1-CE1 4.25Å; L169-K220 HydrophobicContact CD2-CB 4.18Å; L169-K220 VanDerWaalsContact CD2-O 3.26Å; L169-K220 WeakPolarHBondContact CD2-O 3.34Å; L169-K220 HydrophobicContact CG-CB 4.25Å; L169-K220 HydrophobicContact CG-CG 4.08Å; L169-I223 HydrophobicContact CD1-CB 4.16Å; L169-I223 HydrophobicContact CD1-CD1 4.34Å; L169-I223 HydrophobicContact CD1-CG2 4.06Å; L169-I223 HydrophobicContact CD2-CB 4.14Å; L169-I223 HydrophobicContact CD2-CG2 4.22Å
170	G	94	Very high	94.3	Very high	21 Å²	21	49.8 Å²	49.8	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-48.7	170.4	0	0	0	0	0	111.7	I166 G167 L168 G173 E174	I166-G170 PolarHBondContact O-N 2.99Å; G167-G170 PolarHBondContact O-N 3.32Å; L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 2.87Å; G170-G173 PolarHBondContact O-N 3.1Å; G170-E174 PolarHBondContact O-N 3.22Å
171	S	94	Very high	94.3	Very high	57 Å²	57	49.5 Å²	49.5	40%	0.399	24%	0.244	S	C	.	.	H	α-helix	trans	-63	-45.9	179.3	-57.1	0	0	0	0	112.4	G167 L168 G173 E174 R175	G167-S171 PolarHBondContact O-N 2.73Å; G167-S171 VanDerWaalsContact O-N 3.07Å; G167-S171 PolarHBondContact O-OG 2.97Å; L168-S171 WeakPolarHBondContact O-CB 3.43Å; L168-S171 PolarHBondContact O-N 3.28Å; L168-S171 VanDerWaalsContact O-N 3.13Å; S171-G173 VanDerWaalsContact C-N 3.31Å; S171-G173 PolarHBondContact O-N 2.94Å; S171-E174 PolarHBondContact O-N 2.85Å; S171-R175 WeakPolarHBondContact O-CG 3.27Å; S171-R175 PolarHBondContact O-N 3.38Å; S171-R175 VanDerWaalsContact O-N 3.08Å
172	V	94.8	Very high	94.2	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-45.4	174.5	177	0	0	0	0	110.6	D98 L102 L168 E174 R175 M176 F219	D98-V172 HydrophobicContact CB-CG1 4.05Å; D98-V172 HydrophobicContact CB-CG2 4.1Å; L102-V172 HydrophobicContact CB-CG2 4.49Å; L168-V172 WeakPolarHBondContact O-CG2 3.22Å; L168-V172 PolarHBondContact O-N 3.36Å; V172-E174 PolarHBondContact O-N 3.33Å; V172-R175 PolarHBondContact O-N 3.45Å; V172-M176 WeakPolarHBondContact O-CB 3.5Å; V172-M176 PolarHBondContact O-N 3.29Å; V172-F219 HydrophobicContact CG1-CE1 4.31Å
173	G	94.8	Very high	94	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-40.6	179.4	0	0	0	0	0	113.9	L169 G170 S171 A177 K216	L169-G173 PolarHBondContact O-N 3.44Å; G170-G173 PolarHBondContact O-N 3.1Å; S171-G173 VanDerWaalsContact C-N 3.31Å; S171-G173 PolarHBondContact O-N 2.94Å; G173-A177 WeakPolarHBondContact O-CB 3.5Å; G173-A177 PolarHBondContact O-N 3.41Å; G173-K216 VanDerWaalsContact O-CD 3.29Å; G173-K216 WeakPolarHBondContact O-CD 3.11Å; G173-K216 WeakPolarHBondContact O-CG 3.29Å
174	E	94.7	Very high	93.9	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.421	22%	0.215	S	C	.	.	H	α-helix	trans	-71.8	-41.6	177.8	-64.7	-49.5	143.4	0	0	112.6	G170 S171 V172 M176 A177 R178 K216	G170-E174 PolarHBondContact O-N 3.22Å; S171-E174 PolarHBondContact O-N 2.85Å; V172-E174 PolarHBondContact O-N 3.33Å; E174-M176 VanDerWaalsContact C-N 3.31Å; E174-M176 PolarHBondContact O-N 2.85Å; E174-A177 PolarHBondContact O-N 2.81Å; E174-R178 PolarHBondContact O-N 2.91Å; E174-K216 WeakPolarHBondContact OE1-CD 3.48Å; E174-K216 WeakPolarHBondContact OE1-CE 3.4Å; E174-K216 IonicContact OE1-NZ 2.73Å; E174-K216 PolarHBondContact OE1-NZ 3.15Å; E174-K216 IonicContact OE2-NZ 3.2Å; E174-K216 PolarHBondContact OE2-NZ 3.38Å
175	R	94.3	Very high	93.9	Very high	104 Å²	104	45.5 Å²	45.5	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-43.1	175.3	-70.5	177.3	-178.3	-178.8	2.2	111.4	D98 S171 V172 R178 R179	D98-R175 WeakPolarHBondContact OD1-CD 3.43Å; D98-R175 IonicContact OD1-CZ 3.72Å; D98-R175 IonicContact OD1-NE 3.81Å; D98-R175 IonicContact OD1-NH1 2.81Å; D98-R175 PolarHBondContact OD1-NH1 2.98Å; S171-R175 WeakPolarHBondContact O-CG 3.27Å; S171-R175 PolarHBondContact O-N 3.38Å; S171-R175 VanDerWaalsContact O-N 3.08Å; V172-R175 PolarHBondContact O-N 3.45Å; R175-R178 PolarHBondContact O-N 2.88Å; R175-R179 PolarHBondContact O-N 3.34Å; R175-R179 VanDerWaalsContact O-N 3.1Å
176	M	93.3	Very high	93.8	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-49.4	173.5	176.4	169.6	84.5	0	0	111.8	L94 V172 E174 R178 R179 M180 F215 F219	L94-M176 HydrophobicContact CD1-CG 3.95Å; L94-M176 HydrophobicContact CD2-CG 3.35Å; L94-M176 HydrophobicContact CD2-SD 3.49Å; L94-M176 WeakPolarHBondContact CD2-SD 3.41Å; L94-M176 HydrophobicContact CG-CB 4.45Å; L94-M176 HydrophobicContact CG-CG 3.51Å; L94-M176 HydrophobicContact CG-SD 3.95Å; V172-M176 WeakPolarHBondContact O-CB 3.5Å; V172-M176 PolarHBondContact O-N 3.29Å; E174-M176 VanDerWaalsContact C-N 3.31Å; E174-M176 PolarHBondContact O-N 2.85Å; M176-R178 VanDerWaalsContact C-N 3.33Å; M176-R178 PolarHBondContact O-N 3.46Å; M176-R179 PolarHBondContact O-N 2.87Å; M176-M180 HydrophobicContact CE-CE 4.41Å; M176-M180 HydrophobicContact CG-CE 4.07Å; M176-M180 WeakPolarHBondContact O-CG 3.39Å; M176-M180 PolarHBondContact O-N 3.22Å; M176-M180 VanDerWaalsContact O-N 3.08Å; M176-F215 HydrophobicContact CE-CD1 3.95Å; M176-F215 HydrophobicContact CE-CE1 3.63Å; M176-F215 HydrophobicContact CE-CZ 4.43Å; M176-F215 HydrophobicContact SD-CE1 3.87Å; M176-F219 HydrophobicContact CE-CB 3.79Å; M176-F219 HydrophobicContact CE-CD1 3.69Å; M176-F219 HydrophobicContact CE-CD2 4.39Å; M176-F219 HydrophobicContact CE-CE1 4.37Å; M176-F219 HydrophobicContact CE-CG 3.69Å; M176-F219 HydrophobicContact SD-CD1 4.31Å; M176-F219 HydrophobicContact SD-CE1 4.45Å; M176-F219 HydrophobicContact SD-CG 4.38Å
177	A	94.6	Very high	93.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-39.4	178.4	0	0	0	0	0	113	G173 E174 M180 R181 V212 K216	G173-A177 WeakPolarHBondContact O-CB 3.5Å; G173-A177 PolarHBondContact O-N 3.41Å; E174-A177 PolarHBondContact O-N 2.81Å; A177-M180 PolarHBondContact O-N 3.15Å; A177-R181 WeakPolarHBondContact O-CG 3.34Å; A177-R181 PolarHBondContact O-N 2.84Å; A177-V212 HydrophobicContact CB-CG1 3.73Å; A177-K216 HydrophobicContact CB-CB 4.46Å; A177-K216 HydrophobicContact CB-CD 3.92Å
178	R	95	Very high	93.4	Very high	150 Å²	150	41.4 Å²	41.4	57%	0.566	19%	0.188	S	C	*	.	H	α-helix	trans	-57.9	-49.5	173.1	178.6	-176.1	173.7	-84.5	1.1	111.5	E174 R175 M176 M180 R181 I182	E174-R178 PolarHBondContact O-N 2.91Å; R175-R178 PolarHBondContact O-N 2.88Å; M176-R178 VanDerWaalsContact C-N 3.33Å; M176-R178 PolarHBondContact O-N 3.46Å; R178-M180 PolarHBondContact O-N 2.97Å; R178-R181 PolarHBondContact O-N 3.36Å; R178-I182 HydrophobicContact CG-CD1 3.85Å; R178-I182 WeakPolarHBondContact O-CG1 3.48Å; R178-I182 PolarHBondContact O-N 3.3Å; R178-I182 VanDerWaalsContact O-N 3.08Å
179	R	93	Very high	93.2	Very high	44 Å²	44	43.4 Å²	43.4	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-48.3	179.6	-70.8	-176.2	-170.7	126.9	17.4	111.6	L94 D98 R175 M176 R181 I182 Q183	L94-R179 HydrophobicContact CD1-CB 3.83Å; L94-R179 PolarHBondContact O-NH1 3.38Å; D98-R179 IonicContact OD2-CZ 3.54Å; D98-R179 IonicContact OD2-NH1 2.81Å; D98-R179 PolarHBondContact OD2-NH1 3.01Å; D98-R179 IonicContact OD2-NH2 3.44Å; D98-R179 PolarHBondContact OD2-NH2 3.37Å; R175-R179 PolarHBondContact O-N 3.34Å; R175-R179 VanDerWaalsContact O-N 3.1Å; M176-R179 PolarHBondContact O-N 2.87Å; R179-R181 PolarHBondContact O-N 3.46Å; R179-I182 PolarHBondContact O-N 3.37Å; R179-Q183 WeakPolarHBondContact O-CB 3.4Å; R179-Q183 VanDerWaalsContact O-CG 3.29Å; R179-Q183 WeakPolarHBondContact O-CG 3.19Å; R179-Q183 PolarHBondContact O-N 2.91Å
180	M	93.3	Very high	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-43.5	179.1	-63.5	-168.6	-72.9	0	0	112.3	Y90 L94 M176 A177 R178 I182 Q183 L184 V212 F215 I398	Y90-M180 WeakPolarHBondContact OH-CG 3.35Å; L94-M180 HydrophobicContact CD1-CG 4.02Å; L94-M180 HydrophobicContact CD2-CG 3.89Å; L94-M180 HydrophobicContact CD2-SD 3.89Å; M176-M180 HydrophobicContact CE-CE 4.41Å; M176-M180 HydrophobicContact CG-CE 4.07Å; M176-M180 WeakPolarHBondContact O-CG 3.39Å; M176-M180 PolarHBondContact O-N 3.22Å; M176-M180 VanDerWaalsContact O-N 3.08Å; A177-M180 PolarHBondContact O-N 3.15Å; R178-M180 PolarHBondContact O-N 2.97Å; M180-I182 PolarHBondContact O-N 3.3Å; M180-Q183 PolarHBondContact O-N 3.23Å; M180-L184 VanDerWaalsContact O-CB 3.3Å; M180-L184 WeakPolarHBondContact O-CB 3.3Å; M180-L184 VanDerWaalsContact O-CG 3.28Å; M180-L184 WeakPolarHBondContact O-CG 3.12Å; M180-L184 PolarHBondContact O-N 3.33Å; M180-V212 HydrophobicContact CB-CG1 4.49Å; M180-V212 HydrophobicContact CB-CG2 4.09Å; M180-V212 HydrophobicContact CE-CB 4.41Å; M180-V212 HydrophobicContact CE-CG1 3.74Å; M180-V212 HydrophobicContact CE-CG2 4.47Å; M180-F215 HydrophobicContact CE-CD1 3.64Å; M180-F215 HydrophobicContact CE-CE1 4.27Å; M180-F215 HydrophobicContact SD-CD1 3.69Å; M180-F215 HydrophobicContact SD-CE1 4.05Å; M180-I398 HydrophobicContact SD-CD1 4.36Å
181	R	95.5	Very high	92.7	Very high	95 Å²	95	48.2 Å²	48.2	36%	0.358	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-46	178.8	-75.6	175.6	179.6	157.1	1	112.2	A177 R178 R179 F185 I208 V212	A177-R181 WeakPolarHBondContact O-CG 3.34Å; A177-R181 PolarHBondContact O-N 2.84Å; R178-R181 PolarHBondContact O-N 3.36Å; R179-R181 PolarHBondContact O-N 3.46Å; R181-F185 VanDerWaalsContact O-CB 3.24Å; R181-F185 WeakPolarHBondContact O-CB 3.42Å; R181-F185 PolarHBondContact O-N 3.21Å; R181-I208 HydrophobicContact CB-CG2 4.33Å; R181-I208 HydrophobicContact CG-CG2 4.02Å; R181-I208 PolarHBondContact NE-O 3.43Å; R181-V212 HydrophobicContact CG-CB 4.49Å; R181-V212 HydrophobicContact CG-CG1 4.05Å; R181-V212 HydrophobicContact CG-CG2 4.31Å
182	I	92.7	Very high	92.4	Very high	59 Å²	59	47.7 Å²	47.7	30%	0.303	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-43.9	179.2	-66.4	172.5	0	0	0	110.3	R178 R179 M180 F185 R186	R178-I182 HydrophobicContact CG-CD1 3.85Å; R178-I182 WeakPolarHBondContact O-CG1 3.48Å; R178-I182 PolarHBondContact O-N 3.3Å; R178-I182 VanDerWaalsContact O-N 3.08Å; R179-I182 PolarHBondContact O-N 3.37Å; M180-I182 PolarHBondContact O-N 3.3Å; I182-F185 PolarHBondContact O-N 3.31Å; I182-R186 VanDerWaalsContact O-CB 3.24Å; I182-R186 WeakPolarHBondContact O-CB 3.5Å; I182-R186 PolarHBondContact O-N 3.07Å
183	Q	90.6	Very high	92.2	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-46.6	178.9	-76.1	172.1	-2.8	0	0	112.6	I79 Y90 R179 M180 R186 K187 L402	I79-Q183 HydrophobicContact CG1-CG 4.45Å; Y90-Q183 PolarHBondContact OH-OE1 3.24Å; R179-Q183 WeakPolarHBondContact O-CB 3.4Å; R179-Q183 VanDerWaalsContact O-CG 3.29Å; R179-Q183 WeakPolarHBondContact O-CG 3.19Å; R179-Q183 PolarHBondContact O-N 2.91Å; M180-Q183 PolarHBondContact O-N 3.23Å; Q183-R186 PolarHBondContact O-N 3.32Å; Q183-K187 WeakPolarHBondContact O-CB 3.38Å; Q183-K187 PolarHBondContact O-N 3.27Å; Q183-L402 HydrophobicContact CB-CD2 4.1Å
184	L	92.3	Very high	91.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-48.5	177.1	-76.3	168.2	0	0	0	111	M180 R186 K187 L188 I207 I208 V212 I398 I401 L402	M180-L184 VanDerWaalsContact O-CB 3.3Å; M180-L184 WeakPolarHBondContact O-CB 3.3Å; M180-L184 VanDerWaalsContact O-CG 3.28Å; M180-L184 WeakPolarHBondContact O-CG 3.12Å; M180-L184 PolarHBondContact O-N 3.33Å; L184-R186 PolarHBondContact O-N 3.25Å; L184-K187 PolarHBondContact O-N 2.78Å; L184-L188 WeakPolarHBondContact O-CB 3.36Å; L184-L188 VanDerWaalsContact O-CG 3.27Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 2.95Å; L184-I207 HydrophobicContact CD1-CG2 4.36Å; L184-I208 HydrophobicContact CB-CG1 4.07Å; L184-I208 HydrophobicContact CD1-CG1 4.47Å; L184-V212 HydrophobicContact CD1-CG2 3.8Å; L184-I398 HydrophobicContact CD1-CG1 4.14Å; L184-I398 HydrophobicContact CD1-CG2 4.04Å; L184-I398 HydrophobicContact CD2-CG2 4.13Å; L184-I398 HydrophobicContact CG-CG2 4.31Å; L184-I401 HydrophobicContact CD2-CB 3.97Å; L184-I401 HydrophobicContact CD2-CD1 4.48Å; L184-I401 HydrophobicContact CD2-CG2 3.79Å; L184-L402 HydrophobicContact CD2-CD2 4.12Å; L184-L402 HydrophobicContact CD2-CG 4.01Å; L184-L402 HydrophobicContact CG-CD2 4.49Å
185	F	93.8	Very high	91.5	Very high	129 Å²	129	48.1 Å²	48.1	57%	0.566	22%	0.216	S	C	*	.	H	α-helix	trans	-59.2	-48.8	178.9	-178.4	-101.9	0	0	0	111.2	R181 I182 K187 L188 V189	R181-F185 VanDerWaalsContact O-CB 3.24Å; R181-F185 WeakPolarHBondContact O-CB 3.42Å; R181-F185 PolarHBondContact O-N 3.21Å; I182-F185 PolarHBondContact O-N 3.31Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.21Å; F185-L188 PolarHBondContact O-N 3.5Å; F185-V189 HydrophobicContact CD1-CG2 4.3Å; F185-V189 HydrophobicContact CD2-CG2 4.3Å; F185-V189 HydrophobicContact CE1-CG2 3.9Å; F185-V189 HydrophobicContact CE2-CG2 3.9Å; F185-V189 HydrophobicContact CG-CG2 4.49Å; F185-V189 HydrophobicContact CZ-CG2 3.69Å; F185-V189 WeakPolarHBondContact O-CG2 3.05Å; F185-V189 PolarHBondContact O-N 3.23Å
186	R	91	Very high	91.4	Very high	42 Å²	42	47 Å²	47	16%	0.158	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-47.8	176.3	-174.6	174.8	179.4	-177.3	-4.4	110.9	I182 Q183 L184 L188 V189 Y190	I182-R186 VanDerWaalsContact O-CB 3.24Å; I182-R186 WeakPolarHBondContact O-CB 3.5Å; I182-R186 PolarHBondContact O-N 3.07Å; Q183-R186 PolarHBondContact O-N 3.32Å; L184-R186 PolarHBondContact O-N 3.25Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.24Å; R186-V189 PolarHBondContact O-N 2.78Å; R186-Y190 HydrophobicContact CG-CD2 3.98Å; R186-Y190 HydrophobicContact CG-CE2 3.92Å; R186-Y190 WeakPolarHBondContact O-CD2 3.33Å; R186-Y190 PolarHBondContact O-N 2.88Å
187	K	88.6	Confident	91.2	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-42	-179.2	-175.7	64.6	177.5	178.2	0	112.1	Q183 L184 F185 I401 L402 L404 S406	Q183-K187 WeakPolarHBondContact O-CB 3.38Å; Q183-K187 PolarHBondContact O-N 3.27Å; L184-K187 PolarHBondContact O-N 2.78Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.21Å; K187-I401 HydrophobicContact CG-CG2 4.41Å; K187-L402 HydrophobicContact CB-CD2 4.18Å; K187-L402 HydrophobicContact CG-CD2 4.4Å; K187-L404 WeakPolarHBondContact CE-O 3.2Å; K187-L404 PolarHBondContact NZ-O 3.43Å; K187-S406 PolarHBondContact NZ-OG 3Å
188	L	91.7	Very high	90.7	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-70.7	-43.1	-179.2	-72.5	166.5	0	0	0	112.3	L184 F185 R186 Y190 Q191 Y195 F196 L204 I208 I401	L184-L188 WeakPolarHBondContact O-CB 3.36Å; L184-L188 VanDerWaalsContact O-CG 3.27Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 2.95Å; F185-L188 PolarHBondContact O-N 3.5Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.24Å; L188-Y190 PolarHBondContact O-N 2.84Å; L188-Q191 WeakPolarHBondContact O-CB 3.22Å; L188-Q191 PolarHBondContact O-N 3.49Å; L188-Y195 HydrophobicContact CD2-CE1 3.73Å; L188-F196 VanDerWaalsContact O-CZ 3.24Å; L188-F196 WeakPolarHBondContact O-CZ 3.35Å; L188-L204 HydrophobicContact CD1-CB 4.38Å; L188-L204 HydrophobicContact CD2-CD1 4.23Å; L188-L204 HydrophobicContact CD2-CD2 3.89Å; L188-I208 HydrophobicContact CD1-CD1 3.86Å; L188-I208 HydrophobicContact CD1-CG1 4.26Å; L188-I401 HydrophobicContact CD2-CD1 4.44Å; L188-I401 HydrophobicContact CD2-CG2 3.78Å; L188-I401 HydrophobicContact CG-CG2 3.98Å
189	V	90.6	Very high	90.3	Very high	90 Å²	90	50.4 Å²	50.4	55%	0.545	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-29.3	-179.7	171.9	0	0	0	0	112.4	F185 R186 Q191	F185-V189 HydrophobicContact CD1-CG2 4.3Å; F185-V189 HydrophobicContact CD2-CG2 4.3Å; F185-V189 HydrophobicContact CE1-CG2 3.9Å; F185-V189 HydrophobicContact CE2-CG2 3.9Å; F185-V189 HydrophobicContact CG-CG2 4.49Å; F185-V189 HydrophobicContact CZ-CG2 3.69Å; F185-V189 WeakPolarHBondContact O-CG2 3.05Å; F185-V189 PolarHBondContact O-N 3.23Å; R186-V189 PolarHBondContact O-N 2.78Å; V189-Q191 VanDerWaalsContact C-N 3.3Å
190	Y	88.1	Confident	90	Very high	100 Å²	100	51.8 Å²	51.8	39%	0.392	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.4	174.3	-75.1	-68.3	0	0	0	114.2	R186 L188 I411	R186-Y190 HydrophobicContact CG-CD2 3.98Å; R186-Y190 HydrophobicContact CG-CE2 3.92Å; R186-Y190 WeakPolarHBondContact O-CD2 3.33Å; R186-Y190 PolarHBondContact O-N 2.88Å; L188-Y190 PolarHBondContact O-N 2.84Å; Y190-I411 HydrophobicContact CD1-CG1 4.47Å; Y190-I411 HydrophobicContact CD2-CD1 4.5Å; Y190-I411 HydrophobicContact CD2-CG1 3.98Å; Y190-I411 HydrophobicContact CE2-CG1 4.24Å; Y190-I411 HydrophobicContact CG-CG1 4.14Å
191	Q	89.5	Confident	89.7	Confident	27 Å²	27	56.1 Å²	56.1	13%	0.126	29%	0.292	C	S	.	.	S	Bend	trans	-85.9	151	178.5	-162.1	61.4	5.4	0	0	111.7	L188 V189 Y195 F196 P405	L188-Q191 WeakPolarHBondContact O-CB 3.22Å; L188-Q191 PolarHBondContact O-N 3.49Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; Q191-Y195 HydrophobicContact CB-CD1 4.41Å; Q191-Y195 VanDerWaalsContact CG-CB 3.44Å; Q191-Y195 HydrophobicContact CG-CD1 3.77Å; Q191-Y195 HydrophobicContact CG-CD2 4.14Å; Q191-Y195 HydrophobicContact CG-CG 3.51Å; Q191-F196 HydrophobicContact CB-CE2 4.18Å; Q191-P405 PolarHBondContact NE2-O 3.23Å; Q191-P405 PolarHBondContact OE1-O 2.93Å; Q191-P405 VanDerWaalsContact OE1-O 3.1Å
192	D	88.6	Confident	89.3	Confident	45 Å²	45	53.8 Å²	53.8	24%	0.241	30%	0.298	C	S	.	.			trans	-65.4	153.2	179.5	-60.5	-40.2	0	0	0	112.7	A194 Y195 F196 G407 I408	D192-A194 PolarHBondContact O-N 3.38Å; D192-Y195 VanDerWaalsContact O-CB 3.25Å; D192-Y195 WeakPolarHBondContact O-CB 3.42Å; D192-Y195 PolarHBondContact O-N 3.13Å; D192-F196 WeakPolarHBondContact O-CD2 3.44Å; D192-G407 VanDerWaalsContact CG-CA 3.4Å; D192-G407 WeakPolarHBondContact OD1-CA 3.25Å; D192-G407 WeakPolarHBondContact OD2-CA 3.45Å; D192-I408 WeakPolarHBondContact OD1-CG1 3.16Å; D192-I408 PolarHBondContact OD1-N 2.95Å; D192-I408 PolarHBondContact OD2-N 3.14Å
193	V	89.3	Confident	89.1	Confident	47 Å²	47	55.8 Å²	55.8	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-36.1	177.3	-177.6	0	0	0	0	111.3	Y195 F196 D197 F493	V193-Y195 PolarHBondContact O-N 3.46Å; V193-F196 WeakPolarHBondContact O-CA 3.49Å; V193-F196 PolarHBondContact O-N 2.95Å; V193-D197 PolarHBondContact O-N 3.07Å; V193-F493 HydrophobicContact CB-CB 4.21Å; V193-F493 HydrophobicContact CB-CG 4.5Å; V193-F493 HydrophobicContact CG2-CB 3.94Å; V193-F493 HydrophobicContact CG2-CD1 3.56Å; V193-F493 HydrophobicContact CG2-CE1 4.21Å; V193-F493 HydrophobicContact CG2-CG 3.78Å
194	A	88.1	Confident	89.2	Confident	27 Å²	27	56 Å²	56	22%	0.223	31%	0.306	C	S	.	.	H	α-helix	trans	-51.9	-30.4	173.8	0	0	0	0	0	113.8	D192 D197 P452 Y494	D192-A194 PolarHBondContact O-N 3.38Å; A194-D197 WeakPolarHBondContact CA-OD2 3.38Å; A194-P452 HydrophobicContact CB-CG 4.14Å; A194-Y494 HydrophobicContact CB-CD1 4.2Å; A194-Y494 HydrophobicContact CB-CE1 3.86Å
195	Y	88.6	Confident	89.2	Confident	27 Å²	27	60.9 Å²	60.9	11%	0.106	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-42.2	175.2	179.5	-98.5	0	0	0	112	L188 Q191 D192 V193 D197 V198 H199 L204 L404	L188-Y195 HydrophobicContact CD2-CE1 3.73Å; Q191-Y195 HydrophobicContact CB-CD1 4.41Å; Q191-Y195 VanDerWaalsContact CG-CB 3.44Å; Q191-Y195 HydrophobicContact CG-CD1 3.77Å; Q191-Y195 HydrophobicContact CG-CD2 4.14Å; Q191-Y195 HydrophobicContact CG-CG 3.51Å; D192-Y195 VanDerWaalsContact O-CB 3.25Å; D192-Y195 WeakPolarHBondContact O-CB 3.42Å; D192-Y195 PolarHBondContact O-N 3.13Å; V193-Y195 PolarHBondContact O-N 3.46Å; Y195-D197 VanDerWaalsContact C-N 3.33Å; Y195-V198 PolarHBondContact O-N 2.91Å; Y195-H199 AromaticContact CD2-CE1 3.71Å; Y195-H199 AromaticContact CD2-ND1 3.54Å; Y195-H199 HydrophobicContact CE1-CB 4.14Å; Y195-H199 AromaticContact CE2-CE1 3.37Å; Y195-H199 WeakPolarHBondContact CE2-CE1 3.5Å; Y195-H199 AromaticContact CE2-CG 3.9Å; Y195-H199 AromaticContact CE2-ND1 3.4Å; Y195-H199 WeakPolarHBondContact CE2-ND1 3.42Å; Y195-H199 AromaticContact CE2-NE2 3.84Å; Y195-H199 AromaticContact CG-ND1 3.96Å; Y195-H199 AromaticContact CZ-CE1 3.98Å; Y195-H199 AromaticContact CZ-CG 3.75Å; Y195-H199 AromaticContact CZ-ND1 3.73Å; Y195-H199 WeakPolarHBondContact O-CB 3.44Å; Y195-H199 PolarHBondContact O-N 2.61Å; Y195-H199 PolarHBondContact O-ND1 2.96Å; Y195-L204 HydrophobicContact CE1-CD1 4.11Å; Y195-L204 HydrophobicContact CE1-CD2 3.94Å; Y195-L404 HydrophobicContact CD2-CD1 4.12Å; Y195-L404 HydrophobicContact CE2-CD1 3.44Å; Y195-L404 VanDerWaalsContact CE2-CD1 3.44Å; Y195-L404 HydrophobicContact CE2-CD2 4.33Å
196	F	91.4	Very high	89.1	Confident	81 Å²	81	60 Å²	60	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-73.9	-22.3	179.9	-66	-79.3	0	0	0	113.2	L188 Q191 D192 V193 V198 H199 L204	L188-F196 VanDerWaalsContact O-CZ 3.24Å; L188-F196 WeakPolarHBondContact O-CZ 3.35Å; Q191-F196 HydrophobicContact CB-CE2 4.18Å; D192-F196 WeakPolarHBondContact O-CD2 3.44Å; V193-F196 WeakPolarHBondContact O-CA 3.49Å; V193-F196 PolarHBondContact O-N 2.95Å; F196-V198 VanDerWaalsContact C-N 3.25Å; F196-V198 PolarHBondContact O-N 2.99Å; F196-H199 VanDerWaalsContact O-O 3.07Å; F196-L204 HydrophobicContact CD1-CD1 3.71Å; F196-L204 HydrophobicContact CE1-CD1 3.48Å; F196-L204 VanDerWaalsContact CE1-CD1 3.48Å
197	D	87.9	Confident	89.2	Confident	67 Å²	67	58.4 Å²	58.4	36%	0.358	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-28	173	-62.1	-28.8	0	0	0	112.7	V193 A194 Y195 Y494	V193-D197 PolarHBondContact O-N 3.07Å; A194-D197 WeakPolarHBondContact CA-OD2 3.38Å; Y195-D197 VanDerWaalsContact C-N 3.33Å; D197-Y494 PolarHBondContact OD2-OH 2.66Å
198	V	85.3	Confident	89.5	Confident	97 Å²	97	60 Å²	60	59%	0.588	34%	0.335	S	S	*	.	H	α-helix	trans	-98.5	-33.1	-179.5	-179.3	0	0	0	0	111.4	Y195 F196 N453	Y195-V198 PolarHBondContact O-N 2.91Å; F196-V198 VanDerWaalsContact C-N 3.25Å; F196-V198 PolarHBondContact O-N 2.99Å; V198-N453 HydrophobicContact CG2-CB 4.13Å
199	H	86.3	Confident	89.6	Confident	59 Å²	59	61 Å²	61	27%	0.273	35%	0.348	S	S	.	.	S	Bend	trans	-104	120.3	-175	-63.5	82.6	0	0	0	111.5	Y195 F196 S201	Y195-H199 AromaticContact CD2-CE1 3.71Å; Y195-H199 AromaticContact CD2-ND1 3.54Å; Y195-H199 HydrophobicContact CE1-CB 4.14Å; Y195-H199 AromaticContact CE2-CE1 3.37Å; Y195-H199 WeakPolarHBondContact CE2-CE1 3.5Å; Y195-H199 AromaticContact CE2-CG 3.9Å; Y195-H199 AromaticContact CE2-ND1 3.4Å; Y195-H199 WeakPolarHBondContact CE2-ND1 3.42Å; Y195-H199 AromaticContact CE2-NE2 3.84Å; Y195-H199 AromaticContact CG-ND1 3.96Å; Y195-H199 AromaticContact CZ-CE1 3.98Å; Y195-H199 AromaticContact CZ-CG 3.75Å; Y195-H199 AromaticContact CZ-ND1 3.73Å; Y195-H199 WeakPolarHBondContact O-CB 3.44Å; Y195-H199 PolarHBondContact O-N 2.61Å; Y195-H199 PolarHBondContact O-ND1 2.96Å; F196-H199 VanDerWaalsContact O-O 3.07Å; H199-S201 PolarHBondContact O-N 3.49Å
200	S	87	Confident	89.8	Confident	74 Å²	74	59 Å²	59	52%	0.517	34%	0.339	S	S	.	.			trans	-62.6	136.1	176.1	66.4	0	0	0	0	111.9	G202 K203 L204	S200-G202 PolarHBondContact O-N 2.97Å; S200-K203 WeakPolarHBondContact O-CB 3.14Å; S200-K203 PolarHBondContact O-N 3.38Å; S200-K203 VanDerWaalsContact O-N 3.1Å; S200-K203 WeakPolarHBondContact OG-CB 3.47Å; S200-K203 PolarHBondContact OG-N 3.01Å; S200-L204 PolarHBondContact O-N 3.46Å
201	S	87.3	Confident	90.1	Very high	90 Å²	90	54.3 Å²	54.3	63%	0.629	32%	0.32	S	S	*	.	H	α-helix	trans	-56	-38.8	175.4	56	0	0	0	0	112	H199 K203 L204 V205	H199-S201 PolarHBondContact O-N 3.49Å; S201-K203 VanDerWaalsContact C-N 3.33Å; S201-K203 PolarHBondContact O-N 3.49Å; S201-L204 PolarHBondContact O-N 3.18Å; S201-L204 VanDerWaalsContact O-N 3.14Å; S201-V205 WeakPolarHBondContact O-CG2 3.25Å; S201-V205 PolarHBondContact O-N 3.03Å
202	G	87.5	Confident	90.5	Very high	46 Å²	46	53 Å²	53	47%	0.474	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-41.2	176	0	0	0	0	0	113.5	S200 V205 E206	S200-G202 PolarHBondContact O-N 2.97Å; G202-V205 PolarHBondContact O-N 3.43Å; G202-E206 PolarHBondContact O-N 2.9Å
203	K	88.2	Confident	90.8	Very high	101 Å²	101	54.6 Å²	54.6	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-39.5	176.4	-176.4	178.5	179.8	-177.2	0	111.7	S200 S201 E206 I207	S200-K203 WeakPolarHBondContact O-CB 3.14Å; S200-K203 PolarHBondContact O-N 3.38Å; S200-K203 VanDerWaalsContact O-N 3.1Å; S200-K203 WeakPolarHBondContact OG-CB 3.47Å; S200-K203 PolarHBondContact OG-N 3.01Å; S201-K203 VanDerWaalsContact C-N 3.33Å; S201-K203 PolarHBondContact O-N 3.49Å; K203-E206 PolarHBondContact O-N 2.81Å; K203-I207 HydrophobicContact CG-CD1 4.32Å; K203-I207 VanDerWaalsContact O-CG1 3.32Å; K203-I207 WeakPolarHBondContact O-CG1 3.49Å; K203-I207 PolarHBondContact O-N 2.82Å
204	L	92.3	Very high	91.2	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.058	32%	0.322	C	S	.	.	H	α-helix	trans	-66.6	-39.5	177.8	-59.3	177.2	0	0	0	111.7	L188 Y195 F196 S200 S201 I207 I208 I401	L188-L204 HydrophobicContact CD1-CB 4.38Å; L188-L204 HydrophobicContact CD2-CD1 4.23Å; L188-L204 HydrophobicContact CD2-CD2 3.89Å; Y195-L204 HydrophobicContact CE1-CD1 4.11Å; Y195-L204 HydrophobicContact CE1-CD2 3.94Å; F196-L204 HydrophobicContact CD1-CD1 3.71Å; F196-L204 HydrophobicContact CE1-CD1 3.48Å; F196-L204 VanDerWaalsContact CE1-CD1 3.48Å; S200-L204 PolarHBondContact O-N 3.46Å; S201-L204 PolarHBondContact O-N 3.18Å; S201-L204 VanDerWaalsContact O-N 3.14Å; L204-I207 PolarHBondContact O-N 2.91Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.45Å; L204-I208 VanDerWaalsContact O-N 3.09Å; L204-I401 HydrophobicContact CD2-CD1 4.17Å
205	V	92.7	Very high	91.6	Very high	102 Å²	102	54.6 Å²	54.6	62%	0.618	31%	0.314	S	S	*	.	H	α-helix	trans	-63.6	-42.2	173.6	172.6	0	0	0	0	111.1	S201 G202 I207 I208 G209	S201-V205 WeakPolarHBondContact O-CG2 3.25Å; S201-V205 PolarHBondContact O-N 3.03Å; G202-V205 PolarHBondContact O-N 3.43Å; V205-I207 VanDerWaalsContact C-N 3.28Å; V205-I207 PolarHBondContact O-N 2.83Å; V205-I208 PolarHBondContact O-N 3.46Å; V205-G209 PolarHBondContact O-N 3.14Å
206	E	91.5	Very high	91.9	Very high	110 Å²	110	53.7 Å²	53.7	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-40.1	174.7	-173.1	-179.5	-174.1	0	0	111.6	G202 K203 G209 S210 D211	G202-E206 PolarHBondContact O-N 2.9Å; K203-E206 PolarHBondContact O-N 2.81Å; E206-G209 PolarHBondContact O-N 3.34Å; E206-S210 WeakPolarHBondContact O-CA 3.4Å; E206-S210 VanDerWaalsContact O-CB 3.3Å; E206-S210 WeakPolarHBondContact O-CB 3.42Å; E206-S210 PolarHBondContact O-N 2.82Å; E206-D211 PolarHBondContact O-N 2.73Å; E206-D211 VanDerWaalsContact O-N 3.09Å
207	I	93.4	Very high	92	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	31%	0.306	C	S	.	.	I	π-helix	trans	-67.1	-46	179.4	-65.9	165.9	0	0	0	111.4	L184 K203 L204 V205 G209 D211 V212 I398 I401	L184-I207 HydrophobicContact CD1-CG2 4.36Å; K203-I207 HydrophobicContact CG-CD1 4.32Å; K203-I207 VanDerWaalsContact O-CG1 3.32Å; K203-I207 WeakPolarHBondContact O-CG1 3.49Å; K203-I207 PolarHBondContact O-N 2.82Å; L204-I207 PolarHBondContact O-N 2.91Å; V205-I207 VanDerWaalsContact C-N 3.28Å; V205-I207 PolarHBondContact O-N 2.83Å; I207-G209 VanDerWaalsContact C-N 3.33Å; I207-G209 PolarHBondContact O-N 3.06Å; I207-D211 HydrophobicContact CG2-CB 4.42Å; I207-D211 WeakPolarHBondContact O-CB 2.98Å; I207-V212 PolarHBondContact O-N 3.34Å; I207-I398 HydrophobicContact CG2-CG1 4Å; I207-I401 HydrophobicContact CB-CD1 4.34Å; I207-I401 HydrophobicContact CD1-CD1 3.63Å; I207-I401 HydrophobicContact CG2-CD1 3.88Å
208	I	94.9	Very high	92.3	Very high	38 Å²	38	48.7 Å²	48.7	20%	0.195	29%	0.291	C	S	.	.	I	π-helix	trans	-65.7	-36.5	178.1	-64.1	172.4	0	0	0	111.6	R181 L184 L188 L204 V205 V212	R181-I208 HydrophobicContact CB-CG2 4.33Å; R181-I208 HydrophobicContact CG-CG2 4.02Å; R181-I208 PolarHBondContact NE-O 3.43Å; L184-I208 HydrophobicContact CB-CG1 4.07Å; L184-I208 HydrophobicContact CD1-CG1 4.47Å; L188-I208 HydrophobicContact CD1-CD1 3.86Å; L188-I208 HydrophobicContact CD1-CG1 4.26Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.45Å; L204-I208 VanDerWaalsContact O-N 3.09Å; V205-I208 PolarHBondContact O-N 3.46Å; I208-V212 WeakPolarHBondContact O-CB 3.42Å; I208-V212 WeakPolarHBondContact O-CG2 3.47Å
209	G	93.6	Very high	92.8	Very high	32 Å²	32	45 Å²	45	33%	0.33	27%	0.267	S	S	.	.	I	π-helix	trans	-87.5	-73.3	-177	0	0	0	0	0	113.6	V205 E206 I207 Q213	V205-G209 PolarHBondContact O-N 3.14Å; E206-G209 PolarHBondContact O-N 3.34Å; I207-G209 VanDerWaalsContact C-N 3.33Å; I207-G209 PolarHBondContact O-N 3.06Å; G209-Q213 WeakPolarHBondContact O-CB 3.49Å; G209-Q213 PolarHBondContact O-N 3.1Å
210	S	94.1	Very high	93.1	Very high	49 Å²	49	44.8 Å²	44.8	34%	0.343	27%	0.265	S	S	.	.	I	π-helix	trans	-73	-47.5	-170.8	-176.8	0	0	0	0	112.2	E206 V212 Q213 N214	E206-S210 WeakPolarHBondContact O-CA 3.4Å; E206-S210 VanDerWaalsContact O-CB 3.3Å; E206-S210 WeakPolarHBondContact O-CB 3.42Å; E206-S210 PolarHBondContact O-N 2.82Å; S210-V212 PolarHBondContact O-N 2.91Å; S210-Q213 CarbonylContact O-C 3.28Å; S210-Q213 WeakPolarHBondContact O-CB 3.39Å; S210-Q213 PolarHBondContact O-N 2.83Å; S210-Q213 VanDerWaalsContact O-N 3.13Å; S210-N214 WeakPolarHBondContact O-CB 3.09Å; S210-N214 VanDerWaalsContact O-CG 3.22Å; S210-N214 PolarHBondContact O-N 2.85Å; S210-N214 PolarHBondContact O-ND2 2.94Å; S210-N214 PolarHBondContact OG-ND2 3.41Å
211	D	95.4	Very high	93.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.011	25%	0.251	C	S	.	.	I	π-helix	trans	-67.9	-41.4	-176.8	-78.5	-15.8	0	0	0	112.5	E206 I207 Q213 N214 F215 A394 R397 I398	E206-D211 PolarHBondContact O-N 2.73Å; E206-D211 VanDerWaalsContact O-N 3.09Å; I207-D211 HydrophobicContact CG2-CB 4.42Å; I207-D211 WeakPolarHBondContact O-CB 2.98Å; D211-Q213 VanDerWaalsContact C-N 3.26Å; D211-Q213 PolarHBondContact O-N 3.49Å; D211-N214 PolarHBondContact O-N 2.93Å; D211-F215 PolarHBondContact O-N 2.97Å; D211-A394 HydrophobicContact CB-CB 3.86Å; D211-R397 VanDerWaalsContact CG-NH2 3.31Å; D211-R397 IonicContact OD1-CZ 2.67Å; D211-R397 IonicContact OD1-NE 3.74Å; D211-R397 IonicContact OD1-NH2 3.86Å; D211-R397 PolarHBondContact OD1-NH2 3.11Å; D211-R397 IonicContact OD2-CZ 3.36Å; D211-R397 IonicContact OD2-NE 3.28Å; D211-R397 PolarHBondContact OD2-NE 3.26Å; D211-R397 IonicContact OD2-NH2 2.65Å; D211-R397 PolarHBondContact OD2-NH2 3.39Å; D211-I398 HydrophobicContact CB-CD1 4.24Å; D211-I398 HydrophobicContact CB-CG1 4.33Å
212	V	96.7	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.5	-42.3	171.4	166.3	0	0	0	0	111	A177 M180 R181 L184 I207 I208 S210 K216 I398	A177-V212 HydrophobicContact CB-CG1 3.73Å; M180-V212 HydrophobicContact CB-CG1 4.49Å; M180-V212 HydrophobicContact CB-CG2 4.09Å; M180-V212 HydrophobicContact CE-CB 4.41Å; M180-V212 HydrophobicContact CE-CG1 3.74Å; M180-V212 HydrophobicContact CE-CG2 4.47Å; R181-V212 HydrophobicContact CG-CB 4.49Å; R181-V212 HydrophobicContact CG-CG1 4.05Å; R181-V212 HydrophobicContact CG-CG2 4.31Å; L184-V212 HydrophobicContact CD1-CG2 3.8Å; I207-V212 PolarHBondContact O-N 3.34Å; I208-V212 WeakPolarHBondContact O-CB 3.42Å; I208-V212 WeakPolarHBondContact O-CG2 3.47Å; S210-V212 PolarHBondContact O-N 2.91Å; V212-K216 VanDerWaalsContact O-CB 3.29Å; V212-K216 WeakPolarHBondContact O-CB 3.29Å; V212-K216 PolarHBondContact O-N 3.24Å; V212-I398 HydrophobicContact CG2-CD1 3.89Å
213	Q	96.2	Very high	93.8	Very high	77 Å²	77	41 Å²	41	36%	0.36	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-42.9	177.2	179.7	64.4	27.6	0	0	112	G209 S210 D211 K216 S217	G209-Q213 WeakPolarHBondContact O-CB 3.49Å; G209-Q213 PolarHBondContact O-N 3.1Å; S210-Q213 CarbonylContact O-C 3.28Å; S210-Q213 WeakPolarHBondContact O-CB 3.39Å; S210-Q213 PolarHBondContact O-N 2.83Å; S210-Q213 VanDerWaalsContact O-N 3.13Å; D211-Q213 VanDerWaalsContact C-N 3.26Å; D211-Q213 PolarHBondContact O-N 3.49Å; Q213-K216 VanDerWaalsContact CD-CE 3.46Å; Q213-K216 PolarHBondContact O-N 2.91Å; Q213-S217 WeakPolarHBondContact O-CB 3.44Å; Q213-S217 PolarHBondContact O-N 2.92Å; Q213-S217 PolarHBondContact O-OG 3.35Å
214	N	96	Very high	93.9	Very high	61 Å²	61	37 Å²	37	33%	0.326	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-50.9	178	-72.1	-33.8	0	0	0	110.3	S210 D211 K216 S217 S218 A394	S210-N214 WeakPolarHBondContact O-CB 3.09Å; S210-N214 VanDerWaalsContact O-CG 3.22Å; S210-N214 PolarHBondContact O-N 2.85Å; S210-N214 PolarHBondContact O-ND2 2.94Å; S210-N214 PolarHBondContact OG-ND2 3.41Å; D211-N214 PolarHBondContact O-N 2.93Å; N214-K216 PolarHBondContact O-N 2.78Å; N214-S217 PolarHBondContact O-N 3.49Å; N214-S217 PolarHBondContact O-OG 3.27Å; N214-S218 WeakPolarHBondContact O-CB 3.32Å; N214-S218 PolarHBondContact O-N 3.06Å; N214-S218 PolarHBondContact O-OG 3.48Å; N214-A394 HydrophobicContact CB-CB 4.11Å
215	F	96.3	Very high	93.7	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-45.3	176.5	178.2	-113.4	0	0	0	112.2	I91 L94 M176 M180 D211 S217 S218 F219 A394 L395	I91-F215 HydrophobicContact CG1-CZ 4.32Å; L94-F215 HydrophobicContact CD2-CE1 4.27Å; M176-F215 HydrophobicContact CE-CD1 3.95Å; M176-F215 HydrophobicContact CE-CE1 3.63Å; M176-F215 HydrophobicContact CE-CZ 4.43Å; M176-F215 HydrophobicContact SD-CE1 3.87Å; M180-F215 HydrophobicContact CE-CD1 3.64Å; M180-F215 HydrophobicContact CE-CE1 4.27Å; M180-F215 HydrophobicContact SD-CD1 3.69Å; M180-F215 HydrophobicContact SD-CE1 4.05Å; D211-F215 PolarHBondContact O-N 2.97Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 2.95Å; F215-S218 PolarHBondContact O-N 3.11Å; F215-F219 HydrophobicContact CZ-CD2 4.46Å; F215-F219 VanDerWaalsContact O-CB 3.27Å; F215-F219 WeakPolarHBondContact O-CB 3.28Å; F215-F219 PolarHBondContact O-N 3.28Å; F215-A394 HydrophobicContact CB-CB 4.49Å; F215-L395 HydrophobicContact CD1-CD1 4.15Å; F215-L395 HydrophobicContact CD2-CB 3.7Å; F215-L395 HydrophobicContact CD2-CD1 4.23Å; F215-L395 HydrophobicContact CD2-CD2 4.15Å; F215-L395 HydrophobicContact CD2-CG 4.25Å; F215-L395 HydrophobicContact CE1-CD1 3.98Å; F215-L395 HydrophobicContact CE2-CB 4.01Å; F215-L395 HydrophobicContact CE2-CD1 4.08Å; F215-L395 HydrophobicContact CE2-CD2 3.55Å; F215-L395 HydrophobicContact CE2-CG 4.1Å; F215-L395 HydrophobicContact CG-CB 4.2Å; F215-L395 HydrophobicContact CG-CD1 4.27Å; F215-L395 HydrophobicContact CZ-CD1 3.93Å; F215-L395 HydrophobicContact CZ-CD2 3.86Å; F215-L395 HydrophobicContact CZ-CG 4.39Å
216	K	95.3	Very high	93.7	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-53.3	-49.3	173.5	174.7	-177	61.1	175.3	0	111.1	G173 E174 A177 V212 Q213 N214 F219 K220	G173-K216 VanDerWaalsContact O-CD 3.29Å; G173-K216 WeakPolarHBondContact O-CD 3.11Å; G173-K216 WeakPolarHBondContact O-CG 3.29Å; E174-K216 WeakPolarHBondContact OE1-CD 3.48Å; E174-K216 WeakPolarHBondContact OE1-CE 3.4Å; E174-K216 IonicContact OE1-NZ 2.73Å; E174-K216 PolarHBondContact OE1-NZ 3.15Å; E174-K216 IonicContact OE2-NZ 3.2Å; E174-K216 PolarHBondContact OE2-NZ 3.38Å; A177-K216 HydrophobicContact CB-CB 4.46Å; A177-K216 HydrophobicContact CB-CD 3.92Å; V212-K216 VanDerWaalsContact O-CB 3.29Å; V212-K216 WeakPolarHBondContact O-CB 3.29Å; V212-K216 PolarHBondContact O-N 3.24Å; Q213-K216 VanDerWaalsContact CD-CE 3.46Å; Q213-K216 PolarHBondContact O-N 2.91Å; N214-K216 PolarHBondContact O-N 2.78Å; K216-F219 PolarHBondContact O-N 2.97Å; K216-K220 WeakPolarHBondContact O-CG 3.13Å; K216-K220 PolarHBondContact O-N 3.42Å; K216-K220 VanDerWaalsContact O-N 3.09Å
217	S	94.8	Very high	93.7	Very high	35 Å²	35	32.1 Å²	32.1	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-45.5	-177.9	72.4	0	0	0	0	112.1	Q213 N214 F215 K220 Q221	Q213-S217 WeakPolarHBondContact O-CB 3.44Å; Q213-S217 PolarHBondContact O-N 2.92Å; Q213-S217 PolarHBondContact O-OG 3.35Å; N214-S217 PolarHBondContact O-N 3.49Å; N214-S217 PolarHBondContact O-OG 3.27Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 2.95Å; S217-K220 PolarHBondContact O-N 2.93Å; S217-Q221 WeakPolarHBondContact O-CB 3.37Å; S217-Q221 WeakPolarHBondContact O-CG 3.44Å; S217-Q221 PolarHBondContact O-N 3.08Å
218	S	94.6	Very high	93.6	Very high	8 Å²	8	34.3 Å²	34.3	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-38.5	178.5	-63.3	0	0	0	0	112.5	N214 F215 Q221 C222 Q387 G391	N214-S218 WeakPolarHBondContact O-CB 3.32Å; N214-S218 PolarHBondContact O-N 3.06Å; N214-S218 PolarHBondContact O-OG 3.48Å; F215-S218 PolarHBondContact O-N 3.11Å; S218-Q221 PolarHBondContact O-N 3.43Å; S218-C222 VanDerWaalsContact O-CB 3.3Å; S218-C222 WeakPolarHBondContact O-CB 3.26Å; S218-C222 PolarHBondContact O-N 3.05Å; S218-Q387 WeakPolarHBondContact CB-O 3.03Å; S218-Q387 PolarHBondContact OG-O 3.47Å; S218-G391 VanDerWaalsContact CB-CA 3.49Å; S218-G391 VanDerWaalsContact OG-CA 3.24Å; S218-G391 WeakPolarHBondContact OG-CA 3.11Å; S218-G391 PolarHBondContact OG-N 3.49Å
219	F	94.2	Very high	93.6	Very high	19 Å²	19	32.6 Å²	32.6	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-50.1	174.1	177.3	-97.8	0	0	0	111	I95 L102 L169 V172 M176 F215 K216 Q221 C222 I223	I95-F219 HydrophobicContact CD1-CE2 3.5Å; I95-F219 VanDerWaalsContact CD1-CE2 3.5Å; I95-F219 HydrophobicContact CD1-CZ 3.54Å; I95-F219 HydrophobicContact CG1-CE2 4.27Å; I95-F219 HydrophobicContact CG1-CZ 3.96Å; L102-F219 HydrophobicContact CD1-CE1 4.47Å; L102-F219 HydrophobicContact CD1-CZ 4.32Å; L102-F219 HydrophobicContact CD2-CZ 4.44Å; L169-F219 HydrophobicContact CD1-CE1 4.25Å; V172-F219 HydrophobicContact CG1-CE1 4.31Å; M176-F219 HydrophobicContact CE-CB 3.79Å; M176-F219 HydrophobicContact CE-CD1 3.69Å; M176-F219 HydrophobicContact CE-CD2 4.39Å; M176-F219 HydrophobicContact CE-CE1 4.37Å; M176-F219 HydrophobicContact CE-CG 3.69Å; M176-F219 HydrophobicContact SD-CD1 4.31Å; M176-F219 HydrophobicContact SD-CE1 4.45Å; M176-F219 HydrophobicContact SD-CG 4.38Å; F215-F219 HydrophobicContact CZ-CD2 4.46Å; F215-F219 VanDerWaalsContact O-CB 3.27Å; F215-F219 WeakPolarHBondContact O-CB 3.28Å; F215-F219 PolarHBondContact O-N 3.28Å; K216-F219 PolarHBondContact O-N 2.97Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.34Å; F219-C222 PolarHBondContact O-N 3.44Å; F219-I223 HydrophobicContact CD1-CD1 4.39Å; F219-I223 HydrophobicContact CD2-CD1 4.31Å; F219-I223 HydrophobicContact CE1-CD1 3.72Å; F219-I223 HydrophobicContact CE2-CD1 3.61Å; F219-I223 HydrophobicContact CE2-CG1 4.48Å; F219-I223 HydrophobicContact CZ-CD1 3.28Å; F219-I223 HydrophobicContact CZ-CG1 4.45Å; F219-I223 PolarHBondContact O-N 3.45Å; F219-I223 VanDerWaalsContact O-N 3.14Å
220	K	93.8	Very high	93.6	Very high	55 Å²	55	32.3 Å²	32.3	24%	0.239	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-41.7	176	-67.2	-170.1	-63.6	-173.8	0	111.6	L169 K216 S217 S224	L169-K220 HydrophobicContact CD2-CB 4.18Å; L169-K220 VanDerWaalsContact CD2-O 3.26Å; L169-K220 WeakPolarHBondContact CD2-O 3.34Å; L169-K220 HydrophobicContact CG-CB 4.25Å; L169-K220 HydrophobicContact CG-CG 4.08Å; K216-K220 WeakPolarHBondContact O-CG 3.13Å; K216-K220 PolarHBondContact O-N 3.42Å; K216-K220 VanDerWaalsContact O-N 3.09Å; S217-K220 PolarHBondContact O-N 2.93Å; K220-S224 WeakPolarHBondContact O-CB 2.96Å; K220-S224 PolarHBondContact O-N 3.38Å; K220-S224 PolarHBondContact O-OG 3.45Å
221	Q	92.9	Very high	93.6	Very high	46 Å²	46	31.8 Å²	31.8	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-40.3	179.3	-74.4	168.9	-23.9	0	0	112.6	S217 S218 F219 I223 Q225 G226 L384 Q387	S217-Q221 WeakPolarHBondContact O-CB 3.37Å; S217-Q221 WeakPolarHBondContact O-CG 3.44Å; S217-Q221 PolarHBondContact O-N 3.08Å; S218-Q221 PolarHBondContact O-N 3.43Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.34Å; Q221-I223 VanDerWaalsContact C-N 3.34Å; Q221-I223 PolarHBondContact O-N 3.11Å; Q221-Q225 WeakPolarHBondContact O-CA 3.42Å; Q221-Q225 VanDerWaalsContact O-CB 3.28Å; Q221-Q225 WeakPolarHBondContact O-CB 3.25Å; Q221-Q225 PolarHBondContact O-N 2.94Å; Q221-G226 PolarHBondContact O-N 3.38Å; Q221-G226 VanDerWaalsContact O-N 3.1Å; Q221-L384 HydrophobicContact CB-CD1 3.83Å; Q221-Q387 VanDerWaalsContact OE1-CG 3.31Å
222	C	92.5	Very high	93.5	Very high	59 Å²	59	32.1 Å²	32.1	40%	0.399	18%	0.175	S	C	.	.	I	π-helix	trans	-59.8	-45.8	177.1	-168.1	0	0	0	0	111.1	S218 F219 G226 L227 V388	S218-C222 VanDerWaalsContact O-CB 3.3Å; S218-C222 WeakPolarHBondContact O-CB 3.26Å; S218-C222 PolarHBondContact O-N 3.05Å; F219-C222 PolarHBondContact O-N 3.44Å; C222-G226 WeakPolarHBondContact O-CA 3.15Å; C222-G226 PolarHBondContact O-N 3.26Å; C222-L227 PolarHBondContact O-N 3.32Å; C222-V388 HydrophobicContact CB-CG2 4.48Å
223	I	90	Very high	93.4	Very high	27 Å²	27	33.5 Å²	33.5	14%	0.138	18%	0.183	C	C	.	.	I	π-helix	trans	-75.6	-47	-178.9	-60.4	-170.3	0	0	0	111.8	L102 I106 L169 F219 Q221 L227	L102-I223 HydrophobicContact CD1-CD1 3.5Å; L102-I223 VanDerWaalsContact CD1-CD1 3.5Å; L102-I223 HydrophobicContact CD1-CG2 4.27Å; L102-I223 HydrophobicContact CD2-CD1 4.29Å; L102-I223 HydrophobicContact CG-CD1 4.45Å; I106-I223 HydrophobicContact CG1-CG2 3.84Å; L169-I223 HydrophobicContact CD1-CB 4.16Å; L169-I223 HydrophobicContact CD1-CD1 4.34Å; L169-I223 HydrophobicContact CD1-CG2 4.06Å; L169-I223 HydrophobicContact CD2-CB 4.14Å; L169-I223 HydrophobicContact CD2-CG2 4.22Å; F219-I223 HydrophobicContact CD1-CD1 4.39Å; F219-I223 HydrophobicContact CD2-CD1 4.31Å; F219-I223 HydrophobicContact CE1-CD1 3.72Å; F219-I223 HydrophobicContact CE2-CD1 3.61Å; F219-I223 HydrophobicContact CE2-CG1 4.48Å; F219-I223 HydrophobicContact CZ-CD1 3.28Å; F219-I223 HydrophobicContact CZ-CG1 4.45Å; F219-I223 PolarHBondContact O-N 3.45Å; F219-I223 VanDerWaalsContact O-N 3.14Å; Q221-I223 VanDerWaalsContact C-N 3.34Å; Q221-I223 PolarHBondContact O-N 3.11Å; I223-L227 WeakPolarHBondContact O-CB 3.27Å
224	S	90.1	Very high	93.3	Very high	17 Å²	17	34.9 Å²	34.9	12%	0.119	20%	0.197	C	C	.	.	I	π-helix	trans	-74.7	-53.6	-177.8	57.5	0	0	0	0	112.9	K220 R228	K220-S224 WeakPolarHBondContact O-CB 2.96Å; K220-S224 PolarHBondContact O-N 3.38Å; K220-S224 PolarHBondContact O-OG 3.45Å; S224-R228 WeakPolarHBondContact O-CB 3.36Å; S224-R228 PolarHBondContact O-N 2.78Å
225	Q	89.5	Confident	93.3	Very high	43 Å²	43	33 Å²	33	20%	0.201	19%	0.191	C	C	.	.	I	π-helix	trans	-85.6	-40.3	-175.1	-56.9	-176.9	11.5	0	0	111.3	Q221 N229	Q221-Q225 WeakPolarHBondContact O-CA 3.42Å; Q221-Q225 VanDerWaalsContact O-CB 3.28Å; Q221-Q225 WeakPolarHBondContact O-CB 3.25Å; Q221-Q225 PolarHBondContact O-N 2.94Å; Q225-N229 WeakPolarHBondContact O-CB 3.48Å; Q225-N229 PolarHBondContact O-N 3.33Å; Q225-N229 PolarHBondContact O-ND2 3.3Å
226	G	92.2	Very high	93.1	Very high	15 Å²	15	32.4 Å²	32.4	16%	0.155	19%	0.189	C	C	.	.	I	π-helix	trans	-63	-52.8	-178.7	0	0	0	0	0	112.7	Q221 C222 G230	Q221-G226 PolarHBondContact O-N 3.38Å; Q221-G226 VanDerWaalsContact O-N 3.1Å; C222-G226 WeakPolarHBondContact O-CA 3.15Å; C222-G226 PolarHBondContact O-N 3.26Å; G226-G230 PolarHBondContact O-N 2.82Å
227	L	90.7	Very high	93	Very high	62 Å²	62	34.8 Å²	34.8	33%	0.325	20%	0.204	S	C	.	.	H	α-helix	trans	-60.4	-50.9	177	-172.9	70.6	0	0	0	111.2	I106 A109 C222 I223 G230 I231	I106-L227 HydrophobicContact CB-CD2 4.45Å; I106-L227 HydrophobicContact CG2-CD2 3.81Å; A109-L227 HydrophobicContact CB-CD2 4.29Å; C222-L227 PolarHBondContact O-N 3.32Å; I223-L227 WeakPolarHBondContact O-CB 3.27Å; L227-G230 PolarHBondContact O-N 3.1Å; L227-I231 HydrophobicContact CD1-CD1 4.05Å; L227-I231 HydrophobicContact CD2-CD1 4.49Å; L227-I231 HydrophobicContact CG-CD1 3.78Å; L227-I231 WeakPolarHBondContact O-CD1 3.39Å; L227-I231 VanDerWaalsContact O-CG1 3.27Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.43Å
228	R	91.8	Very high	93	Very high	54 Å²	54	40.2 Å²	40.2	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-50	-176.4	-173.8	-174.8	70.7	-177	3.1	112.1	A113 Y165 S224 G230 I231 Q232	A113-R228 HydrophobicContact CB-CB 4.26Å; A113-R228 HydrophobicContact CB-CG 3.75Å; Y165-R228 PolarHBondContact OH-NH1 2.84Å; S224-R228 WeakPolarHBondContact O-CB 3.36Å; S224-R228 PolarHBondContact O-N 2.78Å; R228-G230 VanDerWaalsContact C-N 3.34Å; R228-I231 PolarHBondContact O-N 3Å; R228-Q232 WeakPolarHBondContact O-CB 3.32Å; R228-Q232 WeakPolarHBondContact O-CG 3.46Å; R228-Q232 PolarHBondContact O-N 3.09Å
229	N	94	Very high	92.9	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-33.8	-178.5	-58.2	-25.2	0	0	0	111	Q225 Q232 V233 Q380	Q225-N229 WeakPolarHBondContact O-CB 3.48Å; Q225-N229 PolarHBondContact O-N 3.33Å; Q225-N229 PolarHBondContact O-ND2 3.3Å; N229-Q232 PolarHBondContact O-N 2.94Å; N229-Q232 PolarHBondContact OD1-OE1 2.82Å; N229-V233 VanDerWaalsContact O-CG2 3.25Å; N229-V233 WeakPolarHBondContact O-CG2 3.25Å; N229-V233 PolarHBondContact O-N 3.25Å; N229-Q380 WeakPolarHBondContact ND2-CB 3.48Å
230	G	94.2	Very high	92.9	Very high	26 Å²	26	39.3 Å²	39.3	27%	0.268	22%	0.22	S	C	.	.	H	α-helix	trans	-61.2	-49.8	174	0	0	0	0	0	112	G226 L227 R228 Q232 V233 V234	G226-G230 PolarHBondContact O-N 2.82Å; L227-G230 PolarHBondContact O-N 3.1Å; R228-G230 VanDerWaalsContact C-N 3.34Å; G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 3.5Å; G230-V233 PolarHBondContact O-N 2.9Å; G230-V234 WeakPolarHBondContact O-CG2 3.19Å; G230-V234 PolarHBondContact O-N 3.47Å; G230-V234 VanDerWaalsContact O-N 3.1Å
231	I	94	Very high	92.8	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.195	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-42.3	174.9	-65.5	161.1	0	0	0	110.8	F110 A113 V114 L227 R228 V233 V234 G235	F110-I231 HydrophobicContact CB-CD1 4.41Å; F110-I231 HydrophobicContact CD2-CD1 3.41Å; F110-I231 VanDerWaalsContact CD2-CD1 3.41Å; F110-I231 HydrophobicContact CD2-CG1 4.45Å; F110-I231 HydrophobicContact CE2-CD1 4.01Å; F110-I231 HydrophobicContact CG-CD1 4.25Å; A113-I231 HydrophobicContact CB-CB 3.8Å; A113-I231 HydrophobicContact CB-CD1 4.02Å; A113-I231 HydrophobicContact CB-CG2 3.71Å; V114-I231 HydrophobicContact CG2-CG2 4.43Å; L227-I231 HydrophobicContact CD1-CD1 4.05Å; L227-I231 HydrophobicContact CD2-CD1 4.49Å; L227-I231 HydrophobicContact CG-CD1 3.78Å; L227-I231 WeakPolarHBondContact O-CD1 3.39Å; L227-I231 VanDerWaalsContact O-CG1 3.27Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 3.43Å; R228-I231 PolarHBondContact O-N 3Å; I231-V233 PolarHBondContact O-N 3.36Å; I231-V234 PolarHBondContact O-N 3.32Å; I231-G235 WeakPolarHBondContact O-CA 3.47Å; I231-G235 PolarHBondContact O-N 3.29Å
232	Q	94.1	Very high	92.7	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-39.9	178.1	-75.5	167.7	-17.1	0	0	112.4	A113 N116 V117 R228 N229 G230 S236 S377	A113-Q232 HydrophobicContact CB-CG 4.42Å; N116-Q232 HydrophobicContact CB-CG 4.13Å; N116-Q232 PolarHBondContact ND2-NE2 3.42Å; N116-Q232 VanDerWaalsContact ND2-NE2 3.1Å; V117-Q232 HydrophobicContact CG2-CG 4.36Å; R228-Q232 WeakPolarHBondContact O-CB 3.32Å; R228-Q232 WeakPolarHBondContact O-CG 3.46Å; R228-Q232 PolarHBondContact O-N 3.09Å; N229-Q232 PolarHBondContact O-N 2.94Å; N229-Q232 PolarHBondContact OD1-OE1 2.82Å; G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 3.5Å; Q232-S236 WeakPolarHBondContact O-CB 3.43Å; Q232-S236 PolarHBondContact O-N 2.97Å; Q232-S236 PolarHBondContact O-OG 3.43Å; Q232-S377 WeakPolarHBondContact CB-OG 3.41Å; Q232-S377 PolarHBondContact OE1-OG 3.38Å; Q232-S377 VanDerWaalsContact OE1-OG 3.1Å
233	V	93.8	Very high	92.5	Very high	28 Å²	28	40.6 Å²	40.6	17%	0.17	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-52.8	176.3	168.6	0	0	0	0	110.2	N229 G230 I231 S236 V237 L374 L378	N229-V233 VanDerWaalsContact O-CG2 3.25Å; N229-V233 WeakPolarHBondContact O-CG2 3.25Å; N229-V233 PolarHBondContact O-N 3.25Å; G230-V233 PolarHBondContact O-N 2.9Å; I231-V233 PolarHBondContact O-N 3.36Å; V233-S236 PolarHBondContact O-N 3.17Å; V233-V237 VanDerWaalsContact O-CG2 3.29Å; V233-V237 WeakPolarHBondContact O-CG2 3.36Å; V233-V237 PolarHBondContact O-N 2.96Å; V233-L374 HydrophobicContact CB-CD1 4.2Å; V233-L374 HydrophobicContact CG1-CD1 4.02Å; V233-L374 HydrophobicContact CG2-CD1 4.09Å; V233-L378 HydrophobicContact CG1-CD2 4.24Å; V233-L378 HydrophobicContact CG2-CD2 3.87Å; V233-L378 HydrophobicContact CG2-CG 4.09Å
234	V	94.7	Very high	92.4	Very high	106 Å²	106	39.5 Å²	39.5	64%	0.642	23%	0.227	S	C	*	.	H	α-helix	trans	-61.9	-47.9	-179.5	176.2	0	0	0	0	111.2	G230 I231 S236 V237 F238	G230-V234 WeakPolarHBondContact O-CG2 3.19Å; G230-V234 PolarHBondContact O-N 3.47Å; G230-V234 VanDerWaalsContact O-N 3.1Å; I231-V234 PolarHBondContact O-N 3.32Å; V234-S236 PolarHBondContact O-N 3.27Å; V234-V237 PolarHBondContact O-N 3.08Å; V234-F238 PolarHBondContact O-N 3.44Å
235	G	94.9	Very high	92.4	Very high	21 Å²	21	42.9 Å²	42.9	22%	0.216	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-39.1	179.4	0	0	0	0	0	113	I231 F238 A239	I231-G235 WeakPolarHBondContact O-CA 3.47Å; I231-G235 PolarHBondContact O-N 3.29Å; G235-F238 PolarHBondContact O-N 3.07Å; G235-A239 VanDerWaalsContact O-CB 3.3Å; G235-A239 WeakPolarHBondContact O-CB 3.3Å; G235-A239 PolarHBondContact O-N 2.81Å
236	S	94.1	Very high	92.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-39.8	176.7	-58.9	0	0	0	0	111.6	Q232 V233 V234 F238 A239 L240	Q232-S236 WeakPolarHBondContact O-CB 3.43Å; Q232-S236 PolarHBondContact O-N 2.97Å; Q232-S236 PolarHBondContact O-OG 3.43Å; V233-S236 PolarHBondContact O-N 3.17Å; V234-S236 PolarHBondContact O-N 3.27Å; S236-F238 VanDerWaalsContact C-N 3.35Å; S236-A239 PolarHBondContact O-N 2.88Å; S236-L240 WeakPolarHBondContact O-CB 3.19Å; S236-L240 VanDerWaalsContact O-CG 3.22Å; S236-L240 WeakPolarHBondContact O-CG 3.42Å; S236-L240 PolarHBondContact O-N 2.78Å
237	V	92.9	Very high	92.1	Very high	58 Å²	58	44.1 Å²	44.1	35%	0.352	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-44.4	175.8	170.2	0	0	0	0	110.7	V233 V234 L240 L241 L374	V233-V237 VanDerWaalsContact O-CG2 3.29Å; V233-V237 WeakPolarHBondContact O-CG2 3.36Å; V233-V237 PolarHBondContact O-N 2.96Å; V234-V237 PolarHBondContact O-N 3.08Å; V237-L240 PolarHBondContact O-N 3.38Å; V237-L241 HydrophobicContact CG1-CD1 4.29Å; V237-L241 WeakPolarHBondContact O-CG 3.36Å; V237-L241 PolarHBondContact O-N 2.71Å; V237-L241 VanDerWaalsContact O-N 3.09Å; V237-L374 HydrophobicContact CG2-CD1 4.32Å; V237-L374 HydrophobicContact CG2-CD2 4.34Å
238	F	94.1	Very high	92.1	Very high	149 Å²	149	41.4 Å²	41.4	65%	0.654	24%	0.242	S	C	*	.	H	α-helix	trans	-64.1	-41.3	175.9	-174.7	-94.1	0	0	0	112.4	V234 G235 S236 L241 S242	V234-F238 PolarHBondContact O-N 3.44Å; G235-F238 PolarHBondContact O-N 3.07Å; S236-F238 VanDerWaalsContact C-N 3.35Å; F238-L241 PolarHBondContact O-N 3.48Å; F238-S242 WeakPolarHBondContact CE1-OG 3.49Å; F238-S242 WeakPolarHBondContact O-CB 3.42Å; F238-S242 PolarHBondContact O-N 3.17Å; F238-S242 PolarHBondContact O-OG 2.95Å
239	A	93.3	Very high	91.9	Very high	6 Å²	6	41.8 Å²	41.8	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-43.8	175.8	0	0	0	0	0	111.8	V117 L121 G235 S236 S242 I243 T370	V117-A239 HydrophobicContact CG1-CB 4.47Å; L121-A239 HydrophobicContact CD1-CB 4.45Å; L121-A239 HydrophobicContact CD2-CB 4.43Å; G235-A239 VanDerWaalsContact O-CB 3.3Å; G235-A239 WeakPolarHBondContact O-CB 3.3Å; G235-A239 PolarHBondContact O-N 2.81Å; S236-A239 PolarHBondContact O-N 2.88Å; A239-S242 PolarHBondContact O-N 2.89Å; A239-I243 WeakPolarHBondContact O-CD1 3.49Å; A239-I243 VanDerWaalsContact O-CG1 3.22Å; A239-I243 WeakPolarHBondContact O-CG1 3.29Å; A239-I243 PolarHBondContact O-N 2.96Å; A239-T370 HydrophobicContact CB-CG2 4.08Å
240	L	93.5	Very high	91.6	Very high	3 Å²	3	44 Å²	44	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-46.6	176.8	-69.3	169.8	0	0	0	111.9	S236 V237 S242 I243 S244 T248 L251 F367 T370 L374	S236-L240 WeakPolarHBondContact O-CB 3.19Å; S236-L240 VanDerWaalsContact O-CG 3.22Å; S236-L240 WeakPolarHBondContact O-CG 3.42Å; S236-L240 PolarHBondContact O-N 2.78Å; V237-L240 PolarHBondContact O-N 3.38Å; L240-S242 VanDerWaalsContact C-N 3.27Å; L240-S242 PolarHBondContact O-N 3.3Å; L240-I243 PolarHBondContact O-N 3.35Å; L240-S244 PolarHBondContact O-N 2.98Å; L240-T248 HydrophobicContact CB-CG2 4.15Å; L240-T248 PolarHBondContact O-OG1 3.03Å; L240-L251 HydrophobicContact CD1-CD2 4.26Å; L240-F367 HydrophobicContact CB-CE2 4.21Å; L240-F367 HydrophobicContact CD2-CD1 4.15Å; L240-F367 HydrophobicContact CD2-CD2 3.58Å; L240-F367 HydrophobicContact CD2-CE1 4.17Å; L240-F367 HydrophobicContact CD2-CE2 3.61Å; L240-F367 HydrophobicContact CD2-CG 3.86Å; L240-F367 HydrophobicContact CD2-CZ 3.9Å; L240-F367 HydrophobicContact CG-CE2 4.47Å; L240-T370 HydrophobicContact CD1-CG2 4.47Å; L240-T370 HydrophobicContact CD2-CG2 3.84Å; L240-T370 HydrophobicContact CG-CG2 3.76Å; L240-L374 HydrophobicContact CD1-CD2 3.8Å
241	L	92.4	Very high	91.3	Very high	83 Å²	83	43.5 Å²	43.5	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-35.9	176	-72.2	171.2	0	0	0	112.5	V237 F238 T248	V237-L241 HydrophobicContact CG1-CD1 4.29Å; V237-L241 WeakPolarHBondContact O-CG 3.36Å; V237-L241 PolarHBondContact O-N 2.71Å; V237-L241 VanDerWaalsContact O-N 3.09Å; F238-L241 PolarHBondContact O-N 3.48Å; L241-T248 HydrophobicContact CD2-CG2 3.6Å; L241-T248 HydrophobicContact CG-CG2 4Å
242	S	89.7	Confident	90.9	Very high	79 Å²	79	46.2 Å²	46.2	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-72.4	-34.4	178.1	-57	0	0	0	0	112.7	F238 A239 L240	F238-S242 WeakPolarHBondContact CE1-OG 3.49Å; F238-S242 WeakPolarHBondContact O-CB 3.42Å; F238-S242 PolarHBondContact O-N 3.17Å; F238-S242 PolarHBondContact O-OG 2.95Å; A239-S242 PolarHBondContact O-N 2.89Å; L240-S242 VanDerWaalsContact C-N 3.27Å; L240-S242 PolarHBondContact O-N 3.3Å
243	I	89	Confident	90.5	Very high	24 Å²	24	48.2 Å²	48.2	12%	0.123	30%	0.304	C	S	.	.	H	α-helix	trans	-73.7	-52.4	178.4	-65.8	158.9	0	0	0	111	L121 A239 L240 H363 F367	L121-I243 HydrophobicContact CD2-CD1 3.7Å; L121-I243 HydrophobicContact CD2-CG1 4Å; A239-I243 WeakPolarHBondContact O-CD1 3.49Å; A239-I243 VanDerWaalsContact O-CG1 3.22Å; A239-I243 WeakPolarHBondContact O-CG1 3.29Å; A239-I243 PolarHBondContact O-N 2.96Å; L240-I243 PolarHBondContact O-N 3.35Å; I243-H363 HydrophobicContact CG2-CB 3.94Å; I243-F367 HydrophobicContact CB-CD2 4.49Å; I243-F367 HydrophobicContact CG2-CB 4.29Å; I243-F367 HydrophobicContact CG2-CD2 4.26Å
244	S	88.2	Confident	90.1	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.035	32%	0.319	C	S	.	.			trans	-157.4	108.2	-178.5	177.8	0	0	0	0	110.8	L240 T246 L247 T248	L240-S244 PolarHBondContact O-N 2.98Å; S244-T246 VanDerWaalsContact C-N 3.29Å; S244-T246 PolarHBondContact O-N 3.39Å; S244-T246 PolarHBondContact OG-OG1 3.08Å; S244-T246 VanDerWaalsContact OG-OG1 3.1Å; S244-L247 PolarHBondContact OG-N 3.37Å; S244-T248 WeakPolarHBondContact O-CB 3.28Å; S244-T248 PolarHBondContact O-N 3.19Å; S244-T248 VanDerWaalsContact O-N 3.11Å; S244-T248 PolarHBondContact O-OG1 3.24Å
245	P	88.6	Confident	89.6	Confident	87 Å²	87	47.5 Å²	47.5	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-66.5	-32.2	177.4	25	-32.6	0	0	0	112.1	T248 A249	P245-T248 PolarHBondContact O-N 3.09Å; P245-A249 WeakPolarHBondContact O-CB 3.25Å; P245-A249 PolarHBondContact O-N 2.99Å
246	T	88.2	Confident	89.1	Confident	81 Å²	81	50.3 Å²	50.3	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-68.4	-47.4	-179.7	52.6	0	0	0	0	112.1	S244 T248 A249 A250	S244-T246 VanDerWaalsContact C-N 3.29Å; S244-T246 PolarHBondContact O-N 3.39Å; S244-T246 PolarHBondContact OG-OG1 3.08Å; S244-T246 VanDerWaalsContact OG-OG1 3.1Å; T246-T248 VanDerWaalsContact C-N 3.33Å; T246-T248 PolarHBondContact O-N 3.15Å; T246-A249 PolarHBondContact O-N 3.31Å; T246-A250 PolarHBondContact O-N 3.29Å
247	L	88.3	Confident	88.8	Confident	4 Å²	4	54 Å²	54	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-38.2	174.4	-74.6	176.9	0	0	0	112.3	S244 A250 L251 V349 L353 L359 F367	S244-L247 PolarHBondContact OG-N 3.37Å; L247-A250 PolarHBondContact O-N 3.46Å; L247-L251 PolarHBondContact O-N 3.4Å; L247-V349 HydrophobicContact CD2-CB 3.91Å; L247-V349 HydrophobicContact CD2-CG1 3.57Å; L247-L353 HydrophobicContact CD1-CD1 4.2Å; L247-L353 HydrophobicContact CD2-CD1 3.57Å; L247-L353 HydrophobicContact CG-CD1 3.55Å; L247-L359 HydrophobicContact CD1-CD1 3.45Å; L247-L359 VanDerWaalsContact CD1-CD1 3.45Å; L247-L359 HydrophobicContact CG-CD1 4.17Å; L247-F367 HydrophobicContact CB-CD2 4.21Å; L247-F367 HydrophobicContact CB-CE1 4.19Å; L247-F367 HydrophobicContact CB-CE2 3.56Å; L247-F367 HydrophobicContact CB-CZ 3.56Å; L247-F367 HydrophobicContact CD1-CD2 4.27Å; L247-F367 HydrophobicContact CD1-CE2 4.44Å; L247-F367 HydrophobicContact CD1-CG 4.31Å
248	T	90.3	Very high	88.5	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-40.6	178.8	-55.4	0	0	0	0	111.7	L240 L241 S244 P245 T246 L251 L252 F367	L240-T248 HydrophobicContact CB-CG2 4.15Å; L240-T248 PolarHBondContact O-OG1 3.03Å; L241-T248 HydrophobicContact CD2-CG2 3.6Å; L241-T248 HydrophobicContact CG-CG2 4Å; S244-T248 WeakPolarHBondContact O-CB 3.28Å; S244-T248 PolarHBondContact O-N 3.19Å; S244-T248 VanDerWaalsContact O-N 3.11Å; S244-T248 PolarHBondContact O-OG1 3.24Å; P245-T248 PolarHBondContact O-N 3.09Å; T246-T248 VanDerWaalsContact C-N 3.33Å; T246-T248 PolarHBondContact O-N 3.15Å; T248-L251 PolarHBondContact O-N 3.28Å; T248-L252 HydrophobicContact CG2-CD1 4Å; T248-L252 HydrophobicContact CG2-CG 4.46Å; T248-L252 WeakPolarHBondContact O-CB 3.24Å; T248-L252 WeakPolarHBondContact O-CG 3.49Å; T248-L252 PolarHBondContact O-N 2.9Å; T248-F367 WeakPolarHBondContact OG1-CE2 3.43Å
249	A	88.5	Confident	88.1	Confident	62 Å²	62	52.1 Å²	52.1	51%	0.512	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-41.3	174.7	0	0	0	0	0	112	P245 T246 L252 G253	P245-A249 WeakPolarHBondContact O-CB 3.25Å; P245-A249 PolarHBondContact O-N 2.99Å; T246-A249 PolarHBondContact O-N 3.31Å; A249-L252 PolarHBondContact O-N 3.39Å; A249-G253 PolarHBondContact O-N 3.42Å
250	A	86.7	Confident	87.9	Confident	49 Å²	49	57.2 Å²	57.2	41%	0.405	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-44.3	174.8	0	0	0	0	0	111.8	T246 L247 G253 C254	T246-A250 PolarHBondContact O-N 3.29Å; L247-A250 PolarHBondContact O-N 3.46Å; A250-G253 PolarHBondContact O-N 3.02Å; A250-C254 PolarHBondContact O-N 2.8Å
251	L	87.7	Confident	87.6	Confident	15 Å²	15	61.5 Å²	61.5	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-62.6	-46.1	175.9	-177.9	65.8	0	0	0	111.9	L240 L247 T248 G253 C254 L255 V342 F367 T371	L240-L251 HydrophobicContact CD1-CD2 4.26Å; L247-L251 PolarHBondContact O-N 3.4Å; T248-L251 PolarHBondContact O-N 3.28Å; L251-G253 PolarHBondContact O-N 2.94Å; L251-C254 PolarHBondContact O-N 3.48Å; L251-L255 HydrophobicContact CG-CD1 4.35Å; L251-L255 WeakPolarHBondContact O-CG 3.23Å; L251-L255 PolarHBondContact O-N 2.88Å; L251-V342 HydrophobicContact CD1-CG1 3.41Å; L251-V342 VanDerWaalsContact CD1-CG1 3.41Å; L251-F367 HydrophobicContact CD2-CZ 4.45Å; L251-T371 HydrophobicContact CD2-CG2 4.16Å
252	L	86.1	Confident	87.5	Confident	95 Å²	95	58.6 Å²	58.6	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-30.5	177.3	-78.8	166.2	0	0	0	112.6	T248 A249 L255 P256	T248-L252 HydrophobicContact CG2-CD1 4Å; T248-L252 HydrophobicContact CG2-CG 4.46Å; T248-L252 WeakPolarHBondContact O-CB 3.24Å; T248-L252 WeakPolarHBondContact O-CG 3.49Å; T248-L252 PolarHBondContact O-N 2.9Å; A249-L252 PolarHBondContact O-N 3.39Å; L252-L255 HydrophobicContact CD2-CD1 4.34Å; L252-P256 WeakPolarHBondContact O-CD 3.4Å
253	G	86	Confident	87.4	Confident	52 Å²	52	58 Å²	58	54%	0.536	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-38.2	174.9	0	0	0	0	0	113.5	A249 A250 L251	A249-G253 PolarHBondContact O-N 3.42Å; A250-G253 PolarHBondContact O-N 3.02Å; L251-G253 PolarHBondContact O-N 2.94Å
254	C	84.6	Confident	87.5	Confident	72 Å²	72	62.2 Å²	62.2	49%	0.486	39%	0.387	S	S	.	.	H	α-helix	trans	-79.4	-29.3	-179.7	-62.1	0	0	0	0	113.3	A250 L251 C257 V258	A250-C254 PolarHBondContact O-N 2.8Å; L251-C254 PolarHBondContact O-N 3.48Å; C254-C257 PolarHBondContact O-N 2.65Å; C254-V258 PolarHBondContact O-N 2.72Å
255	L	83.5	Confident	87.5	Confident	47 Å²	47	64.5 Å²	64.5	25%	0.246	40%	0.397	C	S	.	.	H	α-helix	trans	-59.1	-46.3	-172.7	-80	173.2	0	0	0	114.8	L251 L252 C257 V258 F259	L251-L255 HydrophobicContact CG-CD1 4.35Å; L251-L255 WeakPolarHBondContact O-CG 3.23Å; L251-L255 PolarHBondContact O-N 2.88Å; L252-L255 HydrophobicContact CD2-CD1 4.34Å; L255-C257 VanDerWaalsContact C-N 3.26Å; L255-C257 PolarHBondContact O-N 2.92Å; L255-V258 PolarHBondContact O-N 2.75Å; L255-V258 VanDerWaalsContact O-N 3.11Å; L255-F259 HydrophobicContact CB-CD2 4.19Å; L255-F259 HydrophobicContact CB-CE2 4.07Å; L255-F259 HydrophobicContact CD2-CE2 3.9Å; L255-F259 HydrophobicContact CG-CE2 4.43Å; L255-F259 WeakPolarHBondContact O-CD2 2.95Å; L255-F259 PolarHBondContact O-N 3.33Å
256	P	85.8	Confident	87.6	Confident	80 Å²	80	60.9 Å²	60.9	52%	0.519	38%	0.376	S	S	.	.	H	α-helix	trans	-55.2	-40	179	-28.1	34.2	0	0	0	113.3	L252 F259 L260	L252-P256 WeakPolarHBondContact O-CD 3.4Å; P256-F259 PolarHBondContact O-N 3.41Å; P256-L260 VanDerWaalsContact O-CB 3.25Å; P256-L260 WeakPolarHBondContact O-CB 3.42Å; P256-L260 PolarHBondContact O-N 3.46Å
257	C	86.8	Confident	87.7	Confident	79 Å²	79	59.9 Å²	59.9	53%	0.534	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-45	177.4	-62.7	0	0	0	0	111.4	C254 L255 L260 I261	C254-C257 PolarHBondContact O-N 2.65Å; L255-C257 VanDerWaalsContact C-N 3.26Å; L255-C257 PolarHBondContact O-N 2.92Å; C257-L260 PolarHBondContact O-N 3.48Å; C257-I261 VanDerWaalsContact O-CG1 3.29Å; C257-I261 WeakPolarHBondContact O-CG1 3.27Å; C257-I261 PolarHBondContact O-N 3.08Å; C257-I261 VanDerWaalsContact O-N 3.08Å
258	V	86.3	Confident	87.8	Confident	47 Å²	47	65.5 Å²	65.5	29%	0.285	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-45.3	177.8	-178.1	0	0	0	0	111	C254 L255 G262 T338	C254-V258 PolarHBondContact O-N 2.72Å; L255-V258 PolarHBondContact O-N 2.75Å; L255-V258 VanDerWaalsContact O-N 3.11Å; V258-G262 PolarHBondContact O-N 2.93Å; V258-T338 HydrophobicContact CB-CG2 4.4Å; V258-T338 HydrophobicContact CG1-CG2 4.03Å; V258-T338 HydrophobicContact CG2-CG2 3.51Å
259	F	86	Confident	87.9	Confident	121 Å²	121	66.3 Å²	66.3	53%	0.531	40%	0.4	S	S	.	.	H	α-helix	trans	-66.3	-40.8	178.9	-76.4	-62.6	0	0	0	112.8	L255 P256 S263 L378	L255-F259 HydrophobicContact CB-CD2 4.19Å; L255-F259 HydrophobicContact CB-CE2 4.07Å; L255-F259 HydrophobicContact CD2-CE2 3.9Å; L255-F259 HydrophobicContact CG-CE2 4.43Å; L255-F259 WeakPolarHBondContact O-CD2 2.95Å; L255-F259 PolarHBondContact O-N 3.33Å; P256-F259 PolarHBondContact O-N 3.41Å; F259-S263 VanDerWaalsContact O-CB 3.28Å; F259-S263 WeakPolarHBondContact O-CB 3.43Å; F259-S263 PolarHBondContact O-N 3.01Å; F259-L378 HydrophobicContact CZ-CD1 4.38Å
260	L	88.9	Confident	88.1	Confident	112 Å²	112	69.4 Å²	69.4	59%	0.586	40%	0.399	S	S	*	.	H	α-helix	trans	-63.1	-51.9	179.2	-176.8	64.6	0	0	0	111.1	P256 C257 G262 S263 L264	P256-L260 VanDerWaalsContact O-CB 3.25Å; P256-L260 WeakPolarHBondContact O-CB 3.42Å; P256-L260 PolarHBondContact O-N 3.46Å; C257-L260 PolarHBondContact O-N 3.48Å; L260-G262 VanDerWaalsContact C-N 3.34Å; L260-G262 PolarHBondContact O-N 2.9Å; L260-S263 PolarHBondContact O-N 3.43Å; L260-L264 HydrophobicContact CG-CD1 4.47Å; L260-L264 WeakPolarHBondContact O-CG 3.43Å; L260-L264 PolarHBondContact O-N 2.92Å; L260-L264 VanDerWaalsContact O-N 3.09Å
261	I	88.9	Confident	88.4	Confident	93 Å²	93	72.7 Å²	72.7	48%	0.477	41%	0.406	S	S	.	.	H	α-helix	trans	-61.5	-45.1	178.6	-64	167.5	0	0	0	110.3	C257 S263 L264 M265	C257-I261 VanDerWaalsContact O-CG1 3.29Å; C257-I261 WeakPolarHBondContact O-CG1 3.27Å; C257-I261 PolarHBondContact O-N 3.08Å; C257-I261 VanDerWaalsContact O-N 3.08Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 3.24Å; I261-L264 PolarHBondContact O-N 3.35Å; I261-M265 HydrophobicContact CG2-SD 4.32Å; I261-M265 PolarHBondContact O-N 3.2Å
262	G	89.1	Confident	88.6	Confident	22 Å²	22	73.2 Å²	73.2	23%	0.227	41%	0.408	C	S	.	.	H	α-helix	trans	-61.6	-36.6	178	0	0	0	0	0	113.2	V258 L260 G266	V258-G262 PolarHBondContact O-N 2.93Å; L260-G262 VanDerWaalsContact C-N 3.34Å; L260-G262 PolarHBondContact O-N 2.9Å; G262-G266 PolarHBondContact O-N 3.47Å
263	S	88	Confident	89	Confident	68 Å²	68	71.5 Å²	71.5	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-67.4	-44.5	176.9	-171	0	0	0	0	112.3	F259 L260 I261 G266 T267	F259-S263 VanDerWaalsContact O-CB 3.28Å; F259-S263 WeakPolarHBondContact O-CB 3.43Å; F259-S263 PolarHBondContact O-N 3.01Å; L260-S263 PolarHBondContact O-N 3.43Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 3.24Å; S263-G266 WeakPolarHBondContact O-CA 3.22Å; S263-G266 PolarHBondContact O-N 2.76Å; S263-T267 PolarHBondContact O-N 3.3Å
264	L	90.5	Very high	89.3	Confident	111 Å²	111	77.5 Å²	77.5	58%	0.581	41%	0.411	S	S	*	.	H	α-helix	trans	-64.2	-43.5	178.4	-68	172.3	0	0	0	112.3	L260 I261 G266 T267	L260-L264 HydrophobicContact CG-CD1 4.47Å; L260-L264 WeakPolarHBondContact O-CG 3.43Å; L260-L264 PolarHBondContact O-N 2.92Å; L260-L264 VanDerWaalsContact O-N 3.09Å; I261-L264 PolarHBondContact O-N 3.35Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 3.4Å; L264-T267 PolarHBondContact O-OG1 2.7Å
265	M	89.7	Confident	89.8	Confident	53 Å²	53	77.7 Å²	77.7	26%	0.261	41%	0.405	S	S	.	.	H	α-helix	trans	-66.6	-36	172.7	-66.3	-177.4	76.5	0	0	111.3	I261 T267 E268 L269 F331 L334	I261-M265 HydrophobicContact CG2-SD 4.32Å; I261-M265 PolarHBondContact O-N 3.2Å; M265-T267 PolarHBondContact O-N 3.31Å; M265-E268 PolarHBondContact O-N 3.14Å; M265-L269 WeakPolarHBondContact O-CG 3.29Å; M265-L269 PolarHBondContact O-N 2.92Å; M265-L269 VanDerWaalsContact O-N 3.16Å; M265-F331 HydrophobicContact CB-CD2 3.79Å; M265-F331 HydrophobicContact CB-CE2 4.27Å; M265-F331 HydrophobicContact CE-CB 4.1Å; M265-F331 HydrophobicContact CE-CD2 4.29Å; M265-F331 HydrophobicContact SD-CD2 4.15Å; M265-L334 HydrophobicContact SD-CD2 3.92Å
266	G	89.9	Confident	90.3	Very high	12 Å²	12	76.1 Å²	76.1	12%	0.124	40%	0.397	C	S	.	.	H	α-helix	trans	-64.1	-33.2	178.9	0	0	0	0	0	114.1	G262 S263 L264 R270	G262-G266 PolarHBondContact O-N 3.47Å; S263-G266 WeakPolarHBondContact O-CA 3.22Å; S263-G266 PolarHBondContact O-N 2.76Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 3.4Å; G266-R270 WeakPolarHBondContact O-CB 3.39Å; G266-R270 VanDerWaalsContact O-CG 3.25Å; G266-R270 WeakPolarHBondContact O-CG 3.27Å; G266-R270 PolarHBondContact O-N 2.85Å; G266-R270 PolarHBondContact O-NE 3.48Å
267	T	91	Very high	90.7	Very high	60 Å²	60	78 Å²	78	37%	0.368	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-46.9	176.7	46	0	0	0	0	111.8	S263 L264 M265 R270 H271	S263-T267 PolarHBondContact O-N 3.3Å; L264-T267 PolarHBondContact O-OG1 2.7Å; M265-T267 PolarHBondContact O-N 3.31Å; T267-R270 WeakPolarHBondContact O-CB 3.43Å; T267-R270 PolarHBondContact O-N 3.27Å; T267-H271 PolarHBondContact O-N 3.41Å; T267-H271 VanDerWaalsContact O-N 3.08Å
268	E	90.4	Very high	91	Very high	122 Å²	122	77.6 Å²	77.6	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-64.2	-44.2	178.8	-67.5	-52.5	119.4	0	0	111.9	M265 R270 H271 I272	M265-E268 PolarHBondContact O-N 3.14Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.42Å; E268-H271 WeakPolarHBondContact O-CB 3.4Å; E268-H271 PolarHBondContact O-N 2.92Å; E268-H271 VanDerWaalsContact O-N 3.11Å; E268-I272 WeakPolarHBondContact O-CG1 3.35Å; E268-I272 PolarHBondContact O-N 3.32Å
269	L	92.4	Very high	91.4	Very high	21 Å²	21	75.6 Å²	75.6	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-61.2	-36.9	175.8	-70.4	175.6	0	0	0	112.3	M265 S273 L324 G327 I328 F331	M265-L269 WeakPolarHBondContact O-CG 3.29Å; M265-L269 PolarHBondContact O-N 2.92Å; M265-L269 VanDerWaalsContact O-N 3.16Å; L269-S273 WeakPolarHBondContact O-CB 3.49Å; L269-S273 PolarHBondContact O-N 3.45Å; L269-L324 HydrophobicContact CD2-CD1 4.28Å; L269-G327 VanDerWaalsContact CD2-C 3.49Å; L269-I328 HydrophobicContact CD2-CG1 4.36Å; L269-F331 HydrophobicContact CD1-CB 3.77Å; L269-F331 HydrophobicContact CD1-CD1 4.4Å; L269-F331 HydrophobicContact CD1-CD2 4.26Å; L269-F331 HydrophobicContact CD1-CG 3.89Å
270	R	91.2	Very high	91.7	Very high	126 Å²	126	72.8 Å²	72.8	48%	0.475	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-37.9	174.9	-77.9	-176.4	-65.3	-107.7	3.8	112	G266 T267 E268 R274	G266-R270 WeakPolarHBondContact O-CB 3.39Å; G266-R270 VanDerWaalsContact O-CG 3.25Å; G266-R270 WeakPolarHBondContact O-CG 3.27Å; G266-R270 PolarHBondContact O-N 2.85Å; G266-R270 PolarHBondContact O-NE 3.48Å; T267-R270 WeakPolarHBondContact O-CB 3.43Å; T267-R270 PolarHBondContact O-N 3.27Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.42Å; R270-R274 WeakPolarHBondContact O-CG 3.29Å; R270-R274 PolarHBondContact O-N 3.46Å; R270-R274 VanDerWaalsContact O-N 3.11Å
271	H	93	Very high	91.8	Very high	119 Å²	119	70.5 Å²	70.5	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-63.2	-52.2	176.3	-176.5	-87.5	0	0	0	111.1	T267 E268 S273 R274 E275	T267-H271 PolarHBondContact O-N 3.41Å; T267-H271 VanDerWaalsContact O-N 3.08Å; E268-H271 WeakPolarHBondContact O-CB 3.4Å; E268-H271 PolarHBondContact O-N 2.92Å; E268-H271 VanDerWaalsContact O-N 3.11Å; H271-S273 VanDerWaalsContact C-N 3.29Å; H271-S273 PolarHBondContact O-N 2.95Å; H271-R274 WeakPolarHBondContact O-CB 3.24Å; H271-R274 PolarHBondContact O-N 3.05Å; H271-R274 VanDerWaalsContact O-N 3.11Å; H271-E275 PolarHBondContact O-N 2.72Å
272	I	93.1	Very high	92	Very high	26 Å²	26	69.9 Å²	69.9	13%	0.133	37%	0.365	C	S	.	.	H	α-helix	trans	-61.3	-39.9	178.2	-57.9	169.3	0	0	0	110.9	E268 R274 E275 V276 K323 L324	E268-I272 WeakPolarHBondContact O-CG1 3.35Å; E268-I272 PolarHBondContact O-N 3.32Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.32Å; I272-E275 PolarHBondContact O-N 2.71Å; I272-V276 WeakPolarHBondContact O-CG2 3.36Å; I272-V276 PolarHBondContact O-N 2.84Å; I272-K323 HydrophobicContact CD1-CD 4.46Å; I272-K323 HydrophobicContact CD1-CG 4.4Å; I272-L324 HydrophobicContact CB-CD1 4.27Å; I272-L324 HydrophobicContact CG2-CB 3.82Å; I272-L324 HydrophobicContact CG2-CD1 4.14Å
273	S	93.3	Very high	92.1	Very high	59 Å²	59	71.7 Å²	71.7	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-62	-33.7	177	-178.9	0	0	0	0	113.2	L269 H271 Q277	L269-S273 WeakPolarHBondContact O-CB 3.49Å; L269-S273 PolarHBondContact O-N 3.45Å; H271-S273 VanDerWaalsContact C-N 3.29Å; H271-S273 PolarHBondContact O-N 2.95Å; S273-Q277 WeakPolarHBondContact O-CB 3.42Å; S273-Q277 PolarHBondContact O-N 3.08Å; S273-Q277 VanDerWaalsContact O-N 3.1Å
274	R	93.7	Very high	92.2	Very high	177 Å²	177	71.1 Å²	71.1	67%	0.668	37%	0.367	S	S	*	.	H	α-helix	trans	-70	-40.9	175.6	-74.4	173.5	-177	155.6	-1	111.3	R270 H271 I272 Q277 S278	R270-R274 WeakPolarHBondContact O-CG 3.29Å; R270-R274 PolarHBondContact O-N 3.46Å; R270-R274 VanDerWaalsContact O-N 3.11Å; H271-R274 WeakPolarHBondContact O-CB 3.24Å; H271-R274 PolarHBondContact O-N 3.05Å; H271-R274 VanDerWaalsContact O-N 3.11Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.32Å; R274-Q277 PolarHBondContact O-N 3.44Å; R274-S278 PolarHBondContact O-N 3.37Å
275	E	94.8	Very high	92.2	Very high	77 Å²	77	69.2 Å²	69.2	36%	0.36	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-44.5	176.9	-171.3	58.3	-154.1	0	0	111.5	H271 I272 Q277 S278 Q279 L320	H271-E275 PolarHBondContact O-N 2.72Å; I272-E275 PolarHBondContact O-N 2.71Å; E275-Q277 VanDerWaalsContact C-N 3.31Å; E275-Q277 PolarHBondContact O-N 2.95Å; E275-S278 WeakPolarHBondContact O-CB 3.4Å; E275-S278 PolarHBondContact O-N 3.37Å; E275-Q279 PolarHBondContact O-N 2.84Å; E275-L320 HydrophobicContact CG-CD1 3.89Å; E275-L320 HydrophobicContact CG-CD2 3.99Å
276	V	94.3	Very high	92.2	Very high	13 Å²	13	67.3 Å²	67.3	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-42.9	173	170.9	0	0	0	0	111.5	I272 Q279 N280 L320 L324	I272-V276 WeakPolarHBondContact O-CG2 3.36Å; I272-V276 PolarHBondContact O-N 2.84Å; V276-Q279 PolarHBondContact O-N 3.46Å; V276-N280 WeakPolarHBondContact O-CB 3.44Å; V276-N280 PolarHBondContact O-N 2.92Å; V276-N280 PolarHBondContact O-ND2 3.26Å; V276-L320 HydrophobicContact CG2-CB 3.75Å; V276-L324 HydrophobicContact CB-CD2 4.4Å; V276-L324 HydrophobicContact CG2-CB 4.34Å; V276-L324 HydrophobicContact CG2-CD2 4.07Å
277	Q	92.5	Very high	92.4	Very high	120 Å²	120	69.1 Å²	69.1	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-65.5	-41.1	178.3	-175.2	59.7	54	0	0	111.9	S273 R274 E275 N280 S281	S273-Q277 WeakPolarHBondContact O-CB 3.42Å; S273-Q277 PolarHBondContact O-N 3.08Å; S273-Q277 VanDerWaalsContact O-N 3.1Å; R274-Q277 PolarHBondContact O-N 3.44Å; E275-Q277 VanDerWaalsContact C-N 3.31Å; E275-Q277 PolarHBondContact O-N 2.95Å; Q277-N280 PolarHBondContact O-N 3.19Å; Q277-S281 PolarHBondContact O-N 3.39Å; Q277-S281 PolarHBondContact O-OG 3.22Å; Q277-S281 VanDerWaalsContact O-OG 3.1Å
278	S	94.4	Very high	92.3	Very high	71 Å²	71	71.5 Å²	71.5	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-49.1	175.7	-173.8	0	0	0	0	111.4	R274 E275 N280 S281 L282	R274-S278 PolarHBondContact O-N 3.37Å; E275-S278 WeakPolarHBondContact O-CB 3.4Å; E275-S278 PolarHBondContact O-N 3.37Å; S278-N280 VanDerWaalsContact C-N 3.34Å; S278-N280 PolarHBondContact O-N 2.93Å; S278-S281 PolarHBondContact O-N 3.09Å; S278-L282 PolarHBondContact O-N 3.21Å
279	Q	94.9	Very high	92.3	Very high	5 Å²	5	70.8 Å²	70.8	2%	0.023	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-37.6	179.2	-171.2	63.7	31	0	0	112.2	E275 V276 L282 F283 N313 A317 L320	E275-Q279 PolarHBondContact O-N 2.84Å; V276-Q279 PolarHBondContact O-N 3.46Å; Q279-L282 PolarHBondContact O-N 3.5Å; Q279-F283 PolarHBondContact O-N 3.26Å; Q279-N313 PolarHBondContact NE2-O 3.3Å; Q279-N313 VanDerWaalsContact NE2-O 3.15Å; Q279-N313 PolarHBondContact NE2-OD1 3.47Å; Q279-A317 HydrophobicContact CG-CB 3.79Å; Q279-L320 HydrophobicContact CB-CD1 4.21Å; Q279-L320 HydrophobicContact CG-CD1 4.35Å
280	N	92.4	Very high	92.3	Very high	61 Å²	61	70.2 Å²	70.2	33%	0.326	37%	0.365	S	S	.	.	H	α-helix	trans	-67.6	-35.9	174.9	-78.7	-29.4	0	0	0	112.8	V276 Q277 S278 F283 A284	V276-N280 WeakPolarHBondContact O-CB 3.44Å; V276-N280 PolarHBondContact O-N 2.92Å; V276-N280 PolarHBondContact O-ND2 3.26Å; Q277-N280 PolarHBondContact O-N 3.19Å; S278-N280 VanDerWaalsContact C-N 3.34Å; S278-N280 PolarHBondContact O-N 2.93Å; N280-F283 PolarHBondContact O-N 3.36Å; N280-A284 WeakPolarHBondContact O-CB 3.45Å; N280-A284 PolarHBondContact O-N 3.04Å
281	S	90.5	Very high	92.3	Very high	65 Å²	65	71.1 Å²	71.1	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-65.9	-40.9	174.2	-63.4	0	0	0	0	111.6	Q277 S278 A284 S285	Q277-S281 PolarHBondContact O-N 3.39Å; Q277-S281 PolarHBondContact O-OG 3.22Å; Q277-S281 VanDerWaalsContact O-OG 3.1Å; S278-S281 PolarHBondContact O-N 3.09Å; S281-A284 PolarHBondContact O-N 3.24Å; S281-S285 PolarHBondContact O-N 3.38Å
282	L	92.6	Very high	92.2	Very high	80 Å²	80	69.1 Å²	69.1	42%	0.419	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-46.7	174.3	178	64.4	0	0	0	111.6	S278 Q279 A284 S285 L286 N313	S278-L282 PolarHBondContact O-N 3.21Å; Q279-L282 PolarHBondContact O-N 3.5Å; L282-A284 PolarHBondContact O-N 3.24Å; L282-S285 WeakPolarHBondContact O-CB 3.45Å; L282-S285 PolarHBondContact O-N 3.07Å; L282-L286 HydrophobicContact CG-CD1 4.43Å; L282-L286 WeakPolarHBondContact O-CG 3.4Å; L282-L286 PolarHBondContact O-N 3.47Å; L282-N313 WeakPolarHBondContact CD2-OD1 3.29Å
283	F	91.4	Very high	92.2	Very high	60 Å²	60	73.1 Å²	73.1	26%	0.263	39%	0.39	S	S	.	.	H	α-helix	trans	-58.6	-45.8	175.4	167.2	-103.7	0	0	0	112.3	Q279 N280 S285 L286 I287 I310 V314	Q279-F283 PolarHBondContact O-N 3.26Å; N280-F283 PolarHBondContact O-N 3.36Å; F283-S285 VanDerWaalsContact C-N 3.31Å; F283-S285 PolarHBondContact O-N 3.45Å; F283-L286 PolarHBondContact O-N 3.46Å; F283-I287 HydrophobicContact CD1-CD1 4.28Å; F283-I287 HydrophobicContact CD2-CD1 4.28Å; F283-I287 HydrophobicContact CE1-CD1 3.57Å; F283-I287 HydrophobicContact CE2-CD1 3.56Å; F283-I287 HydrophobicContact CE2-CG1 4.18Å; F283-I287 HydrophobicContact CZ-CD1 3.18Å; F283-I287 HydrophobicContact CZ-CG1 4.24Å; F283-I287 PolarHBondContact O-N 3.4Å; F283-I287 VanDerWaalsContact O-N 3.11Å; F283-I310 HydrophobicContact CD2-CG2 4.49Å; F283-I310 HydrophobicContact CE2-CG2 3.93Å; F283-V314 HydrophobicContact CD2-CG2 3.64Å; F283-V314 HydrophobicContact CE2-CG2 3.34Å; F283-V314 HydrophobicContact CZ-CG2 4.13Å
284	A	89.8	Confident	92.2	Very high	56 Å²	56	73.9 Å²	73.9	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-41	177	0	0	0	0	0	112	N280 S281 L282 I287 D288	N280-A284 WeakPolarHBondContact O-CB 3.45Å; N280-A284 PolarHBondContact O-N 3.04Å; S281-A284 PolarHBondContact O-N 3.24Å; L282-A284 PolarHBondContact O-N 3.24Å; A284-I287 PolarHBondContact O-N 3.08Å; A284-D288 WeakPolarHBondContact O-CB 3.42Å; A284-D288 PolarHBondContact O-N 3.21Å
285	S	90	Very high	92.2	Very high	71 Å²	71	76 Å²	76	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-41.5	176.1	-171.2	0	0	0	0	112.6	S281 L282 F283 I287 D288 E289	S281-S285 PolarHBondContact O-N 3.38Å; L282-S285 WeakPolarHBondContact O-CB 3.45Å; L282-S285 PolarHBondContact O-N 3.07Å; F283-S285 VanDerWaalsContact C-N 3.31Å; F283-S285 PolarHBondContact O-N 3.45Å; S285-I287 VanDerWaalsContact C-N 3.33Å; S285-I287 PolarHBondContact O-N 3.44Å; S285-D288 PolarHBondContact O-N 3.13Å; S285-E289 WeakPolarHBondContact O-CB 3.36Å; S285-E289 PolarHBondContact O-N 3.3Å
286	L	91.5	Very high	92.3	Very high	12 Å²	12	75.7 Å²	75.7	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-65.6	-36.3	177.8	-71.1	172.1	0	0	0	112.1	L282 F283 A290 K309 N313	L282-L286 HydrophobicContact CG-CD1 4.43Å; L282-L286 WeakPolarHBondContact O-CG 3.4Å; L282-L286 PolarHBondContact O-N 3.47Å; F283-L286 PolarHBondContact O-N 3.46Å; L286-A290 VanDerWaalsContact O-CB 3.31Å; L286-A290 WeakPolarHBondContact O-CB 3.43Å; L286-A290 PolarHBondContact O-N 2.79Å; L286-K309 HydrophobicContact CD2-CD 4.44Å; L286-N313 HydrophobicContact CD1-CB 4.38Å
287	I	93.4	Very high	92.4	Very high	51 Å²	51	75.7 Å²	75.7	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-68.2	-42.7	174.5	-73.8	-177	0	0	0	111.3	F283 A284 S285 E289 A290 F291 I310	F283-I287 HydrophobicContact CD1-CD1 4.28Å; F283-I287 HydrophobicContact CD2-CD1 4.28Å; F283-I287 HydrophobicContact CE1-CD1 3.57Å; F283-I287 HydrophobicContact CE2-CD1 3.56Å; F283-I287 HydrophobicContact CE2-CG1 4.18Å; F283-I287 HydrophobicContact CZ-CD1 3.18Å; F283-I287 HydrophobicContact CZ-CG1 4.24Å; F283-I287 PolarHBondContact O-N 3.4Å; F283-I287 VanDerWaalsContact O-N 3.11Å; A284-I287 PolarHBondContact O-N 3.08Å; S285-I287 VanDerWaalsContact C-N 3.33Å; S285-I287 PolarHBondContact O-N 3.44Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.3Å; I287-A290 WeakPolarHBondContact O-CB 3.4Å; I287-A290 PolarHBondContact O-N 2.95Å; I287-F291 HydrophobicContact CG2-CD2 3.63Å; I287-F291 HydrophobicContact CG2-CE2 3.56Å; I287-F291 HydrophobicContact CG2-CZ 4.49Å; I287-F291 PolarHBondContact O-N 3.25Å; I287-I310 HydrophobicContact CG1-CD1 4.48Å
288	D	88.7	Confident	92.6	Very high	109 Å²	109	76 Å²	76	58%	0.583	40%	0.399	S	S	*	.	H	α-helix	trans	-61	-44.2	178.6	-169.2	63.9	0	0	0	111.1	A284 S285 F291 S292	A284-D288 WeakPolarHBondContact O-CB 3.42Å; A284-D288 PolarHBondContact O-N 3.21Å; S285-D288 PolarHBondContact O-N 3.13Å; D288-F291 PolarHBondContact O-N 3.27Å; D288-S292 WeakPolarHBondContact O-CB 3.3Å; D288-S292 PolarHBondContact O-N 3.34Å; D288-S292 PolarHBondContact O-OG 3.36Å
289	E	90.1	Very high	92.7	Very high	108 Å²	108	77.5 Å²	77.5	51%	0.505	41%	0.41	S	S	.	.	H	α-helix	trans	-59.3	-47.1	173.3	-173.8	-175	167.1	0	0	111.8	S285 I287 F291 H293	S285-E289 WeakPolarHBondContact O-CB 3.36Å; S285-E289 PolarHBondContact O-N 3.3Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.3Å; E289-F291 PolarHBondContact O-N 3.3Å; E289-H293 PolarHBondContact O-CD2 3.22Å; E289-H293 PolarHBondContact O-N 3.06Å; E289-H293 VanDerWaalsContact O-N 3.17Å
290	A	92.4	Very high	92.9	Very high	9 Å²	9	82.3 Å²	82.3	7%	0.074	44%	0.435	C	S	.	.	H	α-helix	trans	-57.5	-47.7	179.6	0	0	0	0	0	113.3	L286 I287 H293 I294 L306	L286-A290 VanDerWaalsContact O-CB 3.31Å; L286-A290 WeakPolarHBondContact O-CB 3.43Å; L286-A290 PolarHBondContact O-N 2.79Å; I287-A290 WeakPolarHBondContact O-CB 3.4Å; I287-A290 PolarHBondContact O-N 2.95Å; A290-H293 CarbonylContact O-C 3.55Å; A290-I294 WeakPolarHBondContact O-CA 3.4Å; A290-I294 PolarHBondContact O-N 3.44Å; A290-I294 VanDerWaalsContact O-N 3.15Å; A290-L306 HydrophobicContact CB-CD1 4.44Å; A290-L306 HydrophobicContact CB-CD2 3.59Å; A290-L306 HydrophobicContact CB-CG 4.43Å
291	F	92.3	Very high	93.1	Very high	145 Å²	145	83 Å²	83	64%	0.636	45%	0.45	S	S	*	.	H	α-helix	trans	-82.5	-35.2	-175.9	-68.2	-30.2	0	0	0	112.9	I287 D288 E289 H293 I294	I287-F291 HydrophobicContact CG2-CD2 3.63Å; I287-F291 HydrophobicContact CG2-CE2 3.56Å; I287-F291 HydrophobicContact CG2-CZ 4.49Å; I287-F291 PolarHBondContact O-N 3.25Å; D288-F291 PolarHBondContact O-N 3.27Å; E289-F291 PolarHBondContact O-N 3.3Å; F291-H293 PolarHBondContact O-N 3.13Å; F291-I294 PolarHBondContact O-N 2.84Å
292	S	89.8	Confident	93.3	Very high	76 Å²	76	83.2 Å²	83.2	53%	0.531	44%	0.444	S	S	.	.	H	α-helix	trans	-59.6	-32	173.5	-64.1	0	0	0	0	111.9	D288	D288-S292 WeakPolarHBondContact O-CB 3.3Å; D288-S292 PolarHBondContact O-N 3.34Å; D288-S292 PolarHBondContact O-OG 3.36Å
293	H	92.5	Very high	93.4	Very high	110 Å²	110	81.9 Å²	81.9	51%	0.509	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	29.9	-179.2	-58.1	-59.6	0	0	0	113.9	E289 A290 F291 R295 T296 V297	E289-H293 PolarHBondContact O-CD2 3.22Å; E289-H293 PolarHBondContact O-N 3.06Å; E289-H293 VanDerWaalsContact O-N 3.17Å; A290-H293 CarbonylContact O-C 3.55Å; F291-H293 PolarHBondContact O-N 3.13Å; H293-R295 PolarHBondContact O-N 3.49Å; H293-R295 VanDerWaalsContact O-N 3.13Å; H293-T296 WeakPolarHBondContact O-CA 3.31Å; H293-T296 WeakPolarHBondContact O-CB 3.31Å; H293-T296 PolarHBondContact O-N 2.84Å; H293-V297 PolarHBondContact O-N 3.41Å
294	I	94.6	Very high	93.7	Very high	75 Å²	75	84.7 Å²	84.7	39%	0.385	45%	0.453	S	S	.	.	H	α-helix	trans	-57.2	-34.4	-174.4	-171.1	59.3	0	0	0	113.7	A290 F291 T296 V297 K298	A290-I294 WeakPolarHBondContact O-CA 3.4Å; A290-I294 PolarHBondContact O-N 3.44Å; A290-I294 VanDerWaalsContact O-N 3.15Å; F291-I294 PolarHBondContact O-N 2.84Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 2.92Å; I294-V297 HydrophobicContact CD1-CB 4.47Å; I294-V297 PolarHBondContact O-N 2.68Å; I294-K298 WeakPolarHBondContact O-CB 3.4Å; I294-K298 VanDerWaalsContact O-CG 3.24Å; I294-K298 WeakPolarHBondContact O-CG 3.36Å; I294-K298 PolarHBondContact O-N 3.2Å
295	R	94.2	Very high	93.9	Very high	222 Å²	222	88.6 Å²	88.6	84%	0.838	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-39.3	176.1	-67.9	-175.1	-179	-174.2	0.4	111.6	H293 K298 S299	H293-R295 PolarHBondContact O-N 3.49Å; H293-R295 VanDerWaalsContact O-N 3.13Å; R295-K298 PolarHBondContact O-N 3.26Å; R295-S299 WeakPolarHBondContact O-CB 3.45Å; R295-S299 PolarHBondContact O-N 3.13Å
296	T	96.2	Very high	94.2	Very high	71 Å²	71	86.8 Å²	86.8	44%	0.436	45%	0.445	S	S	.	.	H	α-helix	trans	-70.6	-41.9	176.8	-51.1	0	0	0	0	111	H293 I294 K298 S299 L300	H293-T296 WeakPolarHBondContact O-CA 3.31Å; H293-T296 WeakPolarHBondContact O-CB 3.31Å; H293-T296 PolarHBondContact O-N 2.84Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 2.92Å; T296-K298 VanDerWaalsContact C-N 3.27Å; T296-K298 PolarHBondContact O-N 2.86Å; T296-S299 PolarHBondContact O-N 3.37Å; T296-L300 HydrophobicContact CG2-CD1 3.84Å; T296-L300 HydrophobicContact CG2-CG 4.33Å; T296-L300 WeakPolarHBondContact O-CB 3.4Å; T296-L300 WeakPolarHBondContact O-CG 3.49Å; T296-L300 PolarHBondContact O-N 3.01Å
297	V	95.5	Very high	94.4	Very high	12 Å²	12	90.2 Å²	90.2	7%	0.073	46%	0.463	C	S	.	.	H	α-helix	trans	-55.5	-45.9	173.9	175.8	0	0	0	0	110.5	H293 I294 L300 A301 M302 E303 L306	H293-V297 PolarHBondContact O-N 3.41Å; I294-V297 HydrophobicContact CD1-CB 4.47Å; I294-V297 PolarHBondContact O-N 2.68Å; V297-L300 PolarHBondContact O-N 2.75Å; V297-A301 PolarHBondContact O-N 3.46Å; V297-A301 VanDerWaalsContact O-N 3.12Å; V297-M302 HydrophobicContact CG1-CB 4.31Å; V297-M302 HydrophobicContact CG2-CE 4.49Å; V297-M302 PolarHBondContact O-N 3.49Å; V297-E303 HydrophobicContact CG1-CG 4.28Å; V297-L306 HydrophobicContact CG1-CD2 4.12Å; V297-L306 HydrophobicContact CG2-CD2 4.25Å
298	K	97.2	Very high	94.6	Very high	126 Å²	126	92.9 Å²	92.9	55%	0.548	48%	0.477	S	S	.	.	H	α-helix	trans	-66	-44.2	176.5	-71.2	-81.2	160.4	-159.2	0	112.7	I294 R295 T296 L300 A301 E303	I294-K298 WeakPolarHBondContact O-CB 3.4Å; I294-K298 VanDerWaalsContact O-CG 3.24Å; I294-K298 WeakPolarHBondContact O-CG 3.36Å; I294-K298 PolarHBondContact O-N 3.2Å; R295-K298 PolarHBondContact O-N 3.26Å; T296-K298 VanDerWaalsContact C-N 3.27Å; T296-K298 PolarHBondContact O-N 2.86Å; K298-L300 PolarHBondContact O-N 2.79Å; K298-A301 PolarHBondContact O-N 3.22Å; K298-E303 WeakPolarHBondContact CD-OE1 3.39Å; K298-E303 VanDerWaalsContact CE-OE1 3.24Å; K298-E303 WeakPolarHBondContact CE-OE1 3.24Å; K298-E303 IonicContact NZ-OE1 3.29Å; K298-E303 PolarHBondContact NZ-OE1 3.37Å
299	S	97.7	Very high	94.9	Very high	103 Å²	103	91.6 Å²	91.6	72%	0.72	47%	0.467	S	S	*	.	H	α-helix	trans	-64.9	-28.2	-179.9	-174.4	0	0	0	0	113	R295 T296	R295-S299 WeakPolarHBondContact O-CB 3.45Å; R295-S299 PolarHBondContact O-N 3.13Å; T296-S299 PolarHBondContact O-N 3.37Å
300	L	97.1	Very high	95.2	Very high	107 Å²	107	88.2 Å²	88.2	56%	0.56	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	4.9	179.6	-63.3	179.1	0	0	0	113	T296 V297 K298 M302	T296-L300 HydrophobicContact CG2-CD1 3.84Å; T296-L300 HydrophobicContact CG2-CG 4.33Å; T296-L300 WeakPolarHBondContact O-CB 3.4Å; T296-L300 WeakPolarHBondContact O-CG 3.49Å; T296-L300 PolarHBondContact O-N 3.01Å; V297-L300 PolarHBondContact O-N 2.75Å; K298-L300 PolarHBondContact O-N 2.79Å; L300-M302 HydrophobicContact CB-CE 3.87Å; L300-M302 HydrophobicContact CB-CG 3.68Å; L300-M302 HydrophobicContact CB-SD 3.98Å; L300-M302 HydrophobicContact CD1-CE 3.57Å; L300-M302 HydrophobicContact CD1-SD 3.96Å; L300-M302 HydrophobicContact CG-CE 4.29Å; L300-M302 PolarHBondContact O-N 3.18Å
301	A	96.6	Very high	95.4	Very high	76 Å²	76	91.7 Å²	91.7	63%	0.628	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	40.3	-177.2	0	0	0	0	0	113.6	V297 K298 E303	V297-A301 PolarHBondContact O-N 3.46Å; V297-A301 VanDerWaalsContact O-N 3.12Å; K298-A301 PolarHBondContact O-N 3.22Å; A301-E303 WeakPolarHBondContact CA-OE2 3.24Å
302	M	94.8	Very high	95.5	Very high	68 Å²	68	92.3 Å²	92.3	34%	0.335	47%	0.468	S	S	.	.			trans	-90.6	10.3	-174	-66.9	-172.8	-58.3	0	0	114	V297 L300 D304 F305 L306	V297-M302 HydrophobicContact CG1-CB 4.31Å; V297-M302 HydrophobicContact CG2-CE 4.49Å; V297-M302 PolarHBondContact O-N 3.49Å; L300-M302 HydrophobicContact CB-CE 3.87Å; L300-M302 HydrophobicContact CB-CG 3.68Å; L300-M302 HydrophobicContact CB-SD 3.98Å; L300-M302 HydrophobicContact CD1-CE 3.57Å; L300-M302 HydrophobicContact CD1-SD 3.96Å; L300-M302 HydrophobicContact CG-CE 4.29Å; L300-M302 PolarHBondContact O-N 3.18Å; M302-D304 PolarHBondContact O-N 3.09Å; M302-F305 PolarHBondContact O-N 3.17Å; M302-L306 WeakPolarHBondContact O-CB 3.28Å; M302-L306 PolarHBondContact O-N 3.47Å
303	E	95.7	Very high	95.8	Very high	53 Å²	53	89.5 Å²	89.5	25%	0.248	45%	0.447	C	S	.	.	H	α-helix	trans	-57	-48.3	-174.4	-65.4	94	144.6	0	0	112.2	V297 K298 A301 L306 I307	V297-E303 HydrophobicContact CG1-CG 4.28Å; K298-E303 WeakPolarHBondContact CD-OE1 3.39Å; K298-E303 VanDerWaalsContact CE-OE1 3.24Å; K298-E303 WeakPolarHBondContact CE-OE1 3.24Å; K298-E303 IonicContact NZ-OE1 3.29Å; K298-E303 PolarHBondContact NZ-OE1 3.37Å; A301-E303 WeakPolarHBondContact CA-OE2 3.24Å; E303-L306 PolarHBondContact O-N 3.16Å; E303-I307 WeakPolarHBondContact O-CB 3.3Å; E303-I307 WeakPolarHBondContact O-CD1 3.37Å; E303-I307 WeakPolarHBondContact O-CG1 3.36Å; E303-I307 PolarHBondContact O-N 2.9Å
304	D	96.8	Very high	95.9	Very high	118 Å²	118	87 Å²	87	63%	0.631	44%	0.439	S	S	*	.	H	α-helix	trans	-67.4	-40.1	-177.1	-66.3	-41.7	0	0	0	112.2	M302 L306 I307 N308	M302-D304 PolarHBondContact O-N 3.09Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 3.47Å; D304-I307 PolarHBondContact O-N 3.49Å; D304-N308 WeakPolarHBondContact O-CB 3.39Å; D304-N308 VanDerWaalsContact O-CG 3.28Å; D304-N308 PolarHBondContact O-N 3.3Å; D304-N308 PolarHBondContact O-ND2 3.15Å
305	F	95.6	Very high	96	Very high	139 Å²	139	87.5 Å²	87.5	61%	0.61	44%	0.443	S	S	*	.	H	α-helix	trans	-59	-45.6	174.4	173	-98.6	0	0	0	111	M302 N308 K309	M302-F305 PolarHBondContact O-N 3.17Å; F305-N308 PolarHBondContact O-N 3.19Å; F305-K309 HydrophobicContact CE1-CD 4.28Å; F305-K309 WeakPolarHBondContact O-CB 3.25Å; F305-K309 PolarHBondContact O-N 3.45Å
306	L	95.2	Very high	96.1	Very high	32 Å²	32	80.6 Å²	80.6	17%	0.168	42%	0.419	C	S	.	.	H	α-helix	trans	-69.5	-40.3	-178.9	-173.2	61.5	0	0	0	112.1	A290 V297 M302 E303 D304 N308 K309 I310	A290-L306 HydrophobicContact CB-CD1 4.44Å; A290-L306 HydrophobicContact CB-CD2 3.59Å; A290-L306 HydrophobicContact CB-CG 4.43Å; V297-L306 HydrophobicContact CG1-CD2 4.12Å; V297-L306 HydrophobicContact CG2-CD2 4.25Å; M302-L306 WeakPolarHBondContact O-CB 3.28Å; M302-L306 PolarHBondContact O-N 3.47Å; E303-L306 PolarHBondContact O-N 3.16Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 3.47Å; L306-N308 VanDerWaalsContact C-N 3.34Å; L306-N308 PolarHBondContact O-N 3.45Å; L306-K309 PolarHBondContact O-N 3.38Å; L306-I310 HydrophobicContact CD1-CD1 4.45Å; L306-I310 HydrophobicContact CG-CD1 4.19Å; L306-I310 WeakPolarHBondContact O-CB 3.44Å; L306-I310 WeakPolarHBondContact O-CG1 3.2Å; L306-I310 PolarHBondContact O-N 3.49Å
307	I	95.7	Very high	96.1	Very high	85 Å²	85	77.6 Å²	77.6	44%	0.436	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-47.8	173.4	-72.4	164.5	0	0	0	110	E303 D304 K309 I310 N311	E303-I307 WeakPolarHBondContact O-CB 3.3Å; E303-I307 WeakPolarHBondContact O-CD1 3.37Å; E303-I307 WeakPolarHBondContact O-CG1 3.36Å; E303-I307 PolarHBondContact O-N 2.9Å; D304-I307 PolarHBondContact O-N 3.49Å; I307-K309 PolarHBondContact O-N 2.94Å; I307-I310 PolarHBondContact O-N 2.86Å; I307-N311 WeakPolarHBondContact O-CB 3.41Å; I307-N311 VanDerWaalsContact O-CG 3.24Å; I307-N311 PolarHBondContact O-N 2.84Å; I307-N311 PolarHBondContact O-ND2 3.39Å
308	N	96.9	Very high	96.1	Very high	106 Å²	106	82 Å²	82	57%	0.567	42%	0.419	S	S	*	.	H	α-helix	trans	-63.3	-43.2	178.6	-72.3	-28.4	0	0	0	112.3	D304 F305 L306 I310 N311 Y312	D304-N308 WeakPolarHBondContact O-CB 3.39Å; D304-N308 VanDerWaalsContact O-CG 3.28Å; D304-N308 PolarHBondContact O-N 3.3Å; D304-N308 PolarHBondContact O-ND2 3.15Å; F305-N308 PolarHBondContact O-N 3.19Å; L306-N308 VanDerWaalsContact C-N 3.34Å; L306-N308 PolarHBondContact O-N 3.45Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3Å; N308-N311 PolarHBondContact O-N 3.48Å; N308-Y312 PolarHBondContact O-N 3.16Å
309	K	95.9	Very high	96.1	Very high	83 Å²	83	81.8 Å²	81.8	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-61.6	-40.2	175.7	-171.5	178.8	-178.9	-173.2	0	111.7	L286 F305 L306 I307 N313	L286-K309 HydrophobicContact CD2-CD 4.44Å; F305-K309 HydrophobicContact CE1-CD 4.28Å; F305-K309 WeakPolarHBondContact O-CB 3.25Å; F305-K309 PolarHBondContact O-N 3.45Å; L306-K309 PolarHBondContact O-N 3.38Å; I307-K309 PolarHBondContact O-N 2.94Å; K309-N313 PolarHBondContact O-N 3.06Å; K309-N313 PolarHBondContact O-ND2 3.07Å
310	I	95.6	Very high	96	Very high	36 Å²	36	78.6 Å²	78.6	19%	0.185	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-48.6	175.8	-75.3	173.7	0	0	0	110.7	F283 I287 L306 I307 N308 Y312 N313 V314	F283-I310 HydrophobicContact CD2-CG2 4.49Å; F283-I310 HydrophobicContact CE2-CG2 3.93Å; I287-I310 HydrophobicContact CG1-CD1 4.48Å; L306-I310 HydrophobicContact CD1-CD1 4.45Å; L306-I310 HydrophobicContact CG-CD1 4.19Å; L306-I310 WeakPolarHBondContact O-CB 3.44Å; L306-I310 WeakPolarHBondContact O-CG1 3.2Å; L306-I310 PolarHBondContact O-N 3.49Å; I307-I310 PolarHBondContact O-N 2.86Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3Å; I310-Y312 VanDerWaalsContact C-N 3.32Å; I310-Y312 PolarHBondContact O-N 3.38Å; I310-N313 PolarHBondContact O-N 3Å; I310-N313 VanDerWaalsContact O-N 3.08Å; I310-V314 HydrophobicContact CG2-CG2 3.94Å; I310-V314 WeakPolarHBondContact O-CB 3.34Å; I310-V314 VanDerWaalsContact O-CG2 3.3Å; I310-V314 WeakPolarHBondContact O-CG2 3.46Å; I310-V314 PolarHBondContact O-N 2.76Å
311	N	96.6	Very high	95.9	Very high	82 Å²	82	74.3 Å²	74.3	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-53.7	-48.8	179.1	-75.4	-22.5	0	0	0	111.3	I307 N308 N313 V314 D315	I307-N311 WeakPolarHBondContact O-CB 3.41Å; I307-N311 VanDerWaalsContact O-CG 3.24Å; I307-N311 PolarHBondContact O-N 2.84Å; I307-N311 PolarHBondContact O-ND2 3.39Å; N308-N311 PolarHBondContact O-N 3.48Å; N311-N313 PolarHBondContact O-N 3.16Å; N311-V314 PolarHBondContact O-N 2.85Å; N311-D315 WeakPolarHBondContact O-CB 3.27Å; N311-D315 PolarHBondContact O-N 3.28Å
312	Y	95.9	Very high	96	Very high	159 Å²	159	75.1 Å²	75.1	62%	0.624	37%	0.366	S	S	*	.	H	α-helix	trans	-56.9	-45.6	176.3	176.7	-97.2	0	0	0	113.1	N308 I310 D315 K316	N308-Y312 PolarHBondContact O-N 3.16Å; I310-Y312 VanDerWaalsContact C-N 3.32Å; I310-Y312 PolarHBondContact O-N 3.38Å; Y312-D315 PolarHBondContact O-N 3.26Å; Y312-K316 PolarHBondContact O-N 3.46Å
313	N	94.7	Very high	96	Very high	16 Å²	16	78.4 Å²	78.4	9%	0.086	38%	0.379	C	S	.	.	H	α-helix	trans	-70	-34.4	-179.7	-81.9	-78.1	0	0	0	112.7	Q279 L282 L286 K309 I310 N311 A317	Q279-N313 PolarHBondContact NE2-O 3.3Å; Q279-N313 VanDerWaalsContact NE2-O 3.15Å; Q279-N313 PolarHBondContact NE2-OD1 3.47Å; L282-N313 WeakPolarHBondContact CD2-OD1 3.29Å; L286-N313 HydrophobicContact CD1-CB 4.38Å; K309-N313 PolarHBondContact O-N 3.06Å; K309-N313 PolarHBondContact O-ND2 3.07Å; I310-N313 PolarHBondContact O-N 3Å; I310-N313 VanDerWaalsContact O-N 3.08Å; N311-N313 PolarHBondContact O-N 3.16Å; N313-A317 WeakPolarHBondContact O-CB 3.38Å; N313-A317 PolarHBondContact O-N 2.88Å
314	V	95.8	Very high	96.1	Very high	57 Å²	57	76.9 Å²	76.9	35%	0.345	37%	0.372	S	S	.	.	H	α-helix	trans	-68.8	-42.3	174.7	171.1	0	0	0	0	110.7	F283 I310 N311 A317 K318	F283-V314 HydrophobicContact CD2-CG2 3.64Å; F283-V314 HydrophobicContact CE2-CG2 3.34Å; F283-V314 HydrophobicContact CZ-CG2 4.13Å; I310-V314 HydrophobicContact CG2-CG2 3.94Å; I310-V314 WeakPolarHBondContact O-CB 3.34Å; I310-V314 VanDerWaalsContact O-CG2 3.3Å; I310-V314 WeakPolarHBondContact O-CG2 3.46Å; I310-V314 PolarHBondContact O-N 2.76Å; N311-V314 PolarHBondContact O-N 2.85Å; V314-A317 CarbonylContact O-C 3.59Å; V314-A317 WeakPolarHBondContact O-CB 3.28Å; V314-A317 PolarHBondContact O-N 3.39Å; V314-K318 WeakPolarHBondContact O-CB 3.22Å; V314-K318 PolarHBondContact O-N 3.12Å
315	D	96.8	Very high	96	Very high	87 Å²	87	74.8 Å²	74.8	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-41.9	177	-78.4	-29.3	0	0	0	111.8	N311 Y312 A317 K318 M319	N311-D315 WeakPolarHBondContact O-CB 3.27Å; N311-D315 PolarHBondContact O-N 3.28Å; Y312-D315 PolarHBondContact O-N 3.26Å; D315-A317 PolarHBondContact O-N 3.41Å; D315-K318 WeakPolarHBondContact O-CB 3.48Å; D315-K318 PolarHBondContact O-N 2.82Å; D315-M319 WeakPolarHBondContact O-CG 3.44Å; D315-M319 PolarHBondContact O-N 3.35Å
316	K	95.9	Very high	96	Very high	76 Å²	76	76.3 Å²	76.3	33%	0.33	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-44.3	172.1	-171	179.3	174.6	-159.3	0	111.7	Y312 K318 M319 L320	Y312-K316 PolarHBondContact O-N 3.46Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.38Å; K316-M319 PolarHBondContact O-N 2.84Å; K316-L320 HydrophobicContact CG-CD1 4.22Å; K316-L320 WeakPolarHBondContact O-CG 3.3Å; K316-L320 PolarHBondContact O-N 3Å; K316-L320 VanDerWaalsContact O-N 3.13Å
317	A	95.3	Very high	96	Very high	8 Å²	8	75.8 Å²	75.8	7%	0.066	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-38.5	175.9	0	0	0	0	0	112.1	Q279 N313 V314 D315 S321	Q279-A317 HydrophobicContact CG-CB 3.79Å; N313-A317 WeakPolarHBondContact O-CB 3.38Å; N313-A317 PolarHBondContact O-N 2.88Å; V314-A317 CarbonylContact O-C 3.59Å; V314-A317 WeakPolarHBondContact O-CB 3.28Å; V314-A317 PolarHBondContact O-N 3.39Å; D315-A317 PolarHBondContact O-N 3.41Å; A317-S321 WeakPolarHBondContact O-CB 3.44Å; A317-S321 PolarHBondContact O-N 3.29Å; A317-S321 PolarHBondContact O-OG 3.3Å
318	K	96.6	Very high	95.8	Very high	105 Å²	105	75.2 Å²	75.2	46%	0.457	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-55.9	175.5	175.1	-168.6	167.7	-171.3	0	110.8	V314 D315 K316 L320 S321 E322	V314-K318 WeakPolarHBondContact O-CB 3.22Å; V314-K318 PolarHBondContact O-N 3.12Å; D315-K318 WeakPolarHBondContact O-CB 3.48Å; D315-K318 PolarHBondContact O-N 2.82Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.38Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 3.11Å; K318-S321 CarbonylContact O-C 3.56Å; K318-S321 PolarHBondContact O-N 2.84Å; K318-E322 WeakPolarHBondContact CE-OE1 3.45Å; K318-E322 HydrophobicContact CG-CG 4.41Å; K318-E322 WeakPolarHBondContact O-CG 3.32Å; K318-E322 PolarHBondContact O-N 3.16Å
319	M	96.9	Very high	95.8	Very high	121 Å²	121	72.3 Å²	72.3	60%	0.596	37%	0.368	S	S	*	.	H	α-helix	trans	-56.8	-44.3	-179	-70.9	-173.5	-70.2	0	0	112.1	D315 K316 E322 K323	D315-M319 WeakPolarHBondContact O-CG 3.44Å; D315-M319 PolarHBondContact O-N 3.35Å; K316-M319 PolarHBondContact O-N 2.84Å; M319-E322 PolarHBondContact O-N 3.29Å; M319-K323 PolarHBondContact O-N 3.49Å
320	L	96.1	Very high	95.6	Very high	36 Å²	36	71.8 Å²	71.8	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-41.3	176.2	-70.3	168.8	0	0	0	112.1	E275 V276 Q279 K316 K318 K323 L324	E275-L320 HydrophobicContact CG-CD1 3.89Å; E275-L320 HydrophobicContact CG-CD2 3.99Å; V276-L320 HydrophobicContact CG2-CB 3.75Å; Q279-L320 HydrophobicContact CB-CD1 4.21Å; Q279-L320 HydrophobicContact CG-CD1 4.35Å; K316-L320 HydrophobicContact CG-CD1 4.22Å; K316-L320 WeakPolarHBondContact O-CG 3.3Å; K316-L320 PolarHBondContact O-N 3Å; K316-L320 VanDerWaalsContact O-N 3.13Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 3.11Å; L320-K323 PolarHBondContact O-N 2.84Å; L320-L324 WeakPolarHBondContact O-CB 3.39Å; L320-L324 PolarHBondContact O-N 3.28Å
321	S	95.5	Very high	95.5	Very high	17 Å²	17	71.9 Å²	71.9	12%	0.119	37%	0.374	C	S	.	.	H	α-helix	trans	-68.3	-35.7	178	-62.7	0	0	0	0	112.5	A317 K318 L324 S325	A317-S321 WeakPolarHBondContact O-CB 3.44Å; A317-S321 PolarHBondContact O-N 3.29Å; A317-S321 PolarHBondContact O-OG 3.3Å; K318-S321 CarbonylContact O-C 3.56Å; K318-S321 PolarHBondContact O-N 2.84Å; S321-L324 PolarHBondContact O-N 2.84Å; S321-S325 WeakPolarHBondContact O-CB 3.48Å; S321-S325 PolarHBondContact O-N 3.49Å; S321-S325 PolarHBondContact O-OG 3.45Å
322	E	97.1	Very high	95.2	Very high	93 Å²	93	73.2 Å²	73.2	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-47.2	174.4	-76.2	175.9	173.4	0	0	110.6	K318 M319 L324 S325 F326	K318-E322 WeakPolarHBondContact CE-OE1 3.45Å; K318-E322 HydrophobicContact CG-CG 4.41Å; K318-E322 WeakPolarHBondContact O-CG 3.32Å; K318-E322 PolarHBondContact O-N 3.16Å; M319-E322 PolarHBondContact O-N 3.29Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 2.9Å; E322-S325 WeakPolarHBondContact O-CB 3.21Å; E322-S325 PolarHBondContact O-N 3.33Å; E322-F326 WeakPolarHBondContact O-CD2 3.48Å; E322-F326 PolarHBondContact O-N 3.09Å
323	K	95.9	Very high	95.2	Very high	137 Å²	137	67.7 Å²	67.7	60%	0.596	37%	0.369	S	S	*	.	H	α-helix	trans	-56.4	-44.6	173.4	-175.4	178.7	179.6	177.2	0	111.8	I272 M319 L320 S325 G327	I272-K323 HydrophobicContact CD1-CD 4.46Å; I272-K323 HydrophobicContact CD1-CG 4.4Å; M319-K323 PolarHBondContact O-N 3.49Å; L320-K323 PolarHBondContact O-N 2.84Å; K323-S325 VanDerWaalsContact C-N 3.33Å; K323-S325 PolarHBondContact O-N 2.77Å; K323-G327 PolarHBondContact O-N 3.37Å
324	L	96.5	Very high	95.1	Very high	22 Å²	22	70.5 Å²	70.5	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-42.7	174.2	-179.8	60.8	0	0	0	111.6	L269 I272 V276 L320 S321 E322 G327 I328	L269-L324 HydrophobicContact CD2-CD1 4.28Å; I272-L324 HydrophobicContact CB-CD1 4.27Å; I272-L324 HydrophobicContact CG2-CB 3.82Å; I272-L324 HydrophobicContact CG2-CD1 4.14Å; V276-L324 HydrophobicContact CB-CD2 4.4Å; V276-L324 HydrophobicContact CG2-CB 4.34Å; V276-L324 HydrophobicContact CG2-CD2 4.07Å; L320-L324 WeakPolarHBondContact O-CB 3.39Å; L320-L324 PolarHBondContact O-N 3.28Å; S321-L324 PolarHBondContact O-N 2.84Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 2.9Å; L324-G327 PolarHBondContact O-N 3.03Å; L324-I328 HydrophobicContact CD1-CD1 4Å; L324-I328 HydrophobicContact CD1-CG1 4.2Å; L324-I328 HydrophobicContact CD2-CD1 4.43Å; L324-I328 HydrophobicContact CG-CD1 3.79Å; L324-I328 HydrophobicContact CG-CG1 4.39Å; L324-I328 VanDerWaalsContact O-CG1 3.27Å; L324-I328 WeakPolarHBondContact O-CG1 3.38Å; L324-I328 PolarHBondContact O-N 3.38Å
325	S	95.5	Very high	94.7	Very high	74 Å²	74	69.2 Å²	69.2	52%	0.517	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-44.7	-178.2	-59.9	0	0	0	0	112	S321 E322 K323 G327 I328 G329	S321-S325 WeakPolarHBondContact O-CB 3.48Å; S321-S325 PolarHBondContact O-N 3.49Å; S321-S325 PolarHBondContact O-OG 3.45Å; E322-S325 WeakPolarHBondContact O-CB 3.21Å; E322-S325 PolarHBondContact O-N 3.33Å; K323-S325 VanDerWaalsContact C-N 3.33Å; K323-S325 PolarHBondContact O-N 2.77Å; S325-G327 VanDerWaalsContact C-N 3.33Å; S325-G327 PolarHBondContact O-N 3.46Å; S325-I328 PolarHBondContact O-N 2.92Å; S325-G329 PolarHBondContact O-N 3.06Å
326	F	95.9	Very high	94.4	Very high	170 Å²	170	69 Å²	69	75%	0.746	38%	0.376	S	S	*	.	H	α-helix	trans	-62.1	-40.6	172.6	-85.1	-76.5	0	0	0	111.9	E322 G329 S330	E322-F326 WeakPolarHBondContact O-CD2 3.48Å; E322-F326 PolarHBondContact O-N 3.09Å; F326-G329 PolarHBondContact O-N 2.91Å; F326-S330 WeakPolarHBondContact O-CB 3.27Å; F326-S330 PolarHBondContact O-N 3.06Å
327	G	94.5	Very high	94.2	Very high	22 Å²	22	71.2 Å²	71.2	23%	0.227	39%	0.391	C	S	.	.	H	α-helix	trans	-60.9	-45.8	174.3	0	0	0	0	0	112.9	L269 K323 L324 S325 F331	L269-G327 VanDerWaalsContact CD2-C 3.49Å; K323-G327 PolarHBondContact O-N 3.37Å; L324-G327 PolarHBondContact O-N 3.03Å; S325-G327 VanDerWaalsContact C-N 3.33Å; S325-G327 PolarHBondContact O-N 3.46Å; G327-F331 WeakPolarHBondContact O-CB 3.39Å; G327-F331 PolarHBondContact O-N 3.11Å
328	I	92.9	Very high	93.9	Very high	73 Å²	73	73.1 Å²	73.1	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-43	175.9	-68.9	167.5	0	0	0	110.6	L269 L324 S325 F331 Q332	L269-I328 HydrophobicContact CD2-CG1 4.36Å; L324-I328 HydrophobicContact CD1-CD1 4Å; L324-I328 HydrophobicContact CD1-CG1 4.2Å; L324-I328 HydrophobicContact CD2-CD1 4.43Å; L324-I328 HydrophobicContact CG-CD1 3.79Å; L324-I328 HydrophobicContact CG-CG1 4.39Å; L324-I328 VanDerWaalsContact O-CG1 3.27Å; L324-I328 WeakPolarHBondContact O-CG1 3.38Å; L324-I328 PolarHBondContact O-N 3.38Å; S325-I328 PolarHBondContact O-N 2.92Å; I328-F331 PolarHBondContact O-N 3.33Å; I328-Q332 VanDerWaalsContact O-CB 3.31Å; I328-Q332 WeakPolarHBondContact O-CB 3.33Å; I328-Q332 PolarHBondContact O-N 3.23Å
329	G	95.1	Very high	93.5	Very high	44 Å²	44	70.7 Å²	70.7	45%	0.454	39%	0.393	S	S	.	.	H	α-helix	trans	-59.6	-47.9	178	0	0	0	0	0	112.2	S325 F326 Q332 G333	S325-G329 PolarHBondContact O-N 3.06Å; F326-G329 PolarHBondContact O-N 2.91Å; G329-Q332 PolarHBondContact O-N 3.09Å; G329-G333 PolarHBondContact O-N 3.06Å
330	S	93.4	Very high	93.2	Very high	73 Å²	73	69.5 Å²	69.5	51%	0.51	39%	0.389	S	S	.	.	H	α-helix	trans	-60.1	-48.2	175.1	178.4	0	0	0	0	111.9	F326 Q332 G333 L334	F326-S330 WeakPolarHBondContact O-CB 3.27Å; F326-S330 PolarHBondContact O-N 3.06Å; S330-Q332 PolarHBondContact O-N 3.26Å; S330-G333 PolarHBondContact O-N 2.71Å; S330-L334 WeakPolarHBondContact O-CB 3.18Å; S330-L334 PolarHBondContact O-N 2.74Å
331	F	92.6	Very high	92.9	Very high	37 Å²	37	69.6 Å²	69.6	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-59.5	-45.9	177.2	175.5	-97	0	0	0	112.6	M1 M265 L269 G327 I328 S335	M1-F331 HydrophobicContact CE-CE1 4.29Å; M265-F331 HydrophobicContact CB-CD2 3.79Å; M265-F331 HydrophobicContact CB-CE2 4.27Å; M265-F331 HydrophobicContact CE-CB 4.1Å; M265-F331 HydrophobicContact CE-CD2 4.29Å; M265-F331 HydrophobicContact SD-CD2 4.15Å; L269-F331 HydrophobicContact CD1-CB 3.77Å; L269-F331 HydrophobicContact CD1-CD1 4.4Å; L269-F331 HydrophobicContact CD1-CD2 4.26Å; L269-F331 HydrophobicContact CD1-CG 3.89Å; G327-F331 WeakPolarHBondContact O-CB 3.39Å; G327-F331 PolarHBondContact O-N 3.11Å; I328-F331 PolarHBondContact O-N 3.33Å; F331-S335 WeakPolarHBondContact O-CB 3.2Å; F331-S335 PolarHBondContact O-N 3.08Å; F331-S335 PolarHBondContact O-OG 3.28Å
332	Q	91.3	Very high	92.6	Very high	111 Å²	111	70.3 Å²	70.3	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-69.6	-39	-179.2	-174.2	59.8	64.8	0	0	111.9	I328 G329 S330 N336	I328-Q332 VanDerWaalsContact O-CB 3.31Å; I328-Q332 WeakPolarHBondContact O-CB 3.33Å; I328-Q332 PolarHBondContact O-N 3.23Å; G329-Q332 PolarHBondContact O-N 3.09Å; S330-Q332 PolarHBondContact O-N 3.26Å; Q332-N336 VanDerWaalsContact O-CB 3.25Å; Q332-N336 WeakPolarHBondContact O-CB 3.4Å; Q332-N336 PolarHBondContact O-N 3.41Å
333	G	94.3	Very high	92.3	Very high	43 Å²	43	67.7 Å²	67.7	44%	0.443	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-51.6	175.4	0	0	0	0	0	111.8	G329 S330 S335 N336 L337	G329-G333 PolarHBondContact O-N 3.06Å; S330-G333 PolarHBondContact O-N 2.71Å; G333-S335 PolarHBondContact O-N 3.2Å; G333-N336 PolarHBondContact O-N 3.3Å; G333-L337 PolarHBondContact O-N 3.42Å
334	L	92.3	Very high	92.1	Very high	74 Å²	74	66.8 Å²	66.8	39%	0.387	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-39	178.6	-176.2	62.5	0	0	0	112.6	M265 S330 L337 T338	M265-L334 HydrophobicContact SD-CD2 3.92Å; S330-L334 WeakPolarHBondContact O-CB 3.18Å; S330-L334 PolarHBondContact O-N 2.74Å; L334-L337 PolarHBondContact O-N 3.25Å; L334-T338 WeakPolarHBondContact O-CB 3.32Å; L334-T338 PolarHBondContact O-N 3.46Å; L334-T338 PolarHBondContact O-OG1 3.47Å
335	S	88.7	Confident	91.8	Very high	31 Å²	31	67.4 Å²	67.4	22%	0.217	41%	0.406	C	S	.	.	H	α-helix	trans	-63.6	-43	175.5	-61.9	0	0	0	0	111.3	F331 G333 T338 L339	F331-S335 WeakPolarHBondContact O-CB 3.2Å; F331-S335 PolarHBondContact O-N 3.08Å; F331-S335 PolarHBondContact O-OG 3.28Å; G333-S335 PolarHBondContact O-N 3.2Å; S335-T338 PolarHBondContact O-N 3.33Å; S335-L339 WeakPolarHBondContact O-CB 3.44Å; S335-L339 WeakPolarHBondContact O-CD1 3.35Å; S335-L339 WeakPolarHBondContact O-CG 3.44Å; S335-L339 PolarHBondContact O-N 2.98Å
336	N	90.8	Very high	91.5	Very high	82 Å²	82	64.5 Å²	64.5	44%	0.439	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-43.7	178.4	-165.6	-3.1	0	0	0	111.5	Q332 G333 T338 L339 N340	Q332-N336 VanDerWaalsContact O-CB 3.25Å; Q332-N336 WeakPolarHBondContact O-CB 3.4Å; Q332-N336 PolarHBondContact O-N 3.41Å; G333-N336 PolarHBondContact O-N 3.3Å; N336-T338 PolarHBondContact O-N 2.89Å; N336-L339 PolarHBondContact O-N 3.31Å; N336-N340 WeakPolarHBondContact O-CB 3.3Å; N336-N340 PolarHBondContact O-N 3.23Å; N336-N340 PolarHBondContact O-ND2 3.47Å; N336-N340 VanDerWaalsContact O-ND2 3.15Å; N336-N340 PolarHBondContact OD1-ND2 3.16Å
337	L	91.8	Very high	91.3	Very high	122 Å²	122	60.1 Å²	60.1	64%	0.639	37%	0.369	S	S	*	.	H	α-helix	trans	-58.3	-48.9	174.4	-179.1	65.1	0	0	0	111.4	G333 L334 L339 N340 G341	G333-L337 PolarHBondContact O-N 3.42Å; L334-L337 PolarHBondContact O-N 3.25Å; L337-L339 PolarHBondContact O-N 3.49Å; L337-N340 PolarHBondContact O-N 3.38Å; L337-G341 PolarHBondContact O-N 2.7Å
338	T	89.2	Confident	91.1	Very high	48 Å²	48	67.9 Å²	67.9	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-45.7	178.8	-56.4	0	0	0	0	111.7	V258 L334 S335 N336 G341 V342	V258-T338 HydrophobicContact CB-CG2 4.4Å; V258-T338 HydrophobicContact CG1-CG2 4.03Å; V258-T338 HydrophobicContact CG2-CG2 3.51Å; L334-T338 WeakPolarHBondContact O-CB 3.32Å; L334-T338 PolarHBondContact O-N 3.46Å; L334-T338 PolarHBondContact O-OG1 3.47Å; S335-T338 PolarHBondContact O-N 3.33Å; N336-T338 PolarHBondContact O-N 2.89Å; T338-G341 CarbonylContact O-C 3.58Å; T338-G341 WeakPolarHBondContact O-CA 3.38Å; T338-G341 PolarHBondContact O-N 3.03Å; T338-V342 WeakPolarHBondContact O-CG2 2.93Å; T338-V342 PolarHBondContact O-N 3.36Å
339	L	87.1	Confident	91	Very high	54 Å²	54	67.4 Å²	67.4	28%	0.283	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-43	-179.1	-72.4	164.6	0	0	0	112.4	S335 N336 L337 G341 V342 V343 Q375	S335-L339 WeakPolarHBondContact O-CB 3.44Å; S335-L339 WeakPolarHBondContact O-CD1 3.35Å; S335-L339 WeakPolarHBondContact O-CG 3.44Å; S335-L339 PolarHBondContact O-N 2.98Å; N336-L339 PolarHBondContact O-N 3.31Å; L337-L339 PolarHBondContact O-N 3.49Å; L339-G341 VanDerWaalsContact C-N 3.29Å; L339-G341 PolarHBondContact O-N 3.47Å; L339-V342 WeakPolarHBondContact O-CB 3.46Å; L339-V342 PolarHBondContact O-N 2.71Å; L339-V343 PolarHBondContact O-N 2.81Å; L339-V343 VanDerWaalsContact O-N 3.08Å; L339-Q375 HydrophobicContact CD2-CG 4.13Å
340	N	90.5	Very high	90.9	Very high	96 Å²	96	65.3 Å²	65.3	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-34.3	173.1	-68.3	-35.3	0	0	0	111.5	N336 L337 V342 V343 L344	N336-N340 WeakPolarHBondContact O-CB 3.3Å; N336-N340 PolarHBondContact O-N 3.23Å; N336-N340 PolarHBondContact O-ND2 3.47Å; N336-N340 VanDerWaalsContact O-ND2 3.15Å; N336-N340 PolarHBondContact OD1-ND2 3.16Å; L337-N340 PolarHBondContact O-N 3.38Å; N340-V342 VanDerWaalsContact C-N 3.33Å; N340-V343 WeakPolarHBondContact O-CB 3.35Å; N340-V343 PolarHBondContact O-N 3.43Å; N340-L344 PolarHBondContact O-N 2.88Å
341	G	90.6	Very high	90.7	Very high	39 Å²	39	62.9 Å²	62.9	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-40.6	171.3	0	0	0	0	0	112.5	L337 T338 L339 L344 G345	L337-G341 PolarHBondContact O-N 2.7Å; T338-G341 CarbonylContact O-C 3.58Å; T338-G341 WeakPolarHBondContact O-CA 3.38Å; T338-G341 PolarHBondContact O-N 3.03Å; L339-G341 VanDerWaalsContact C-N 3.29Å; L339-G341 PolarHBondContact O-N 3.47Å; G341-L344 PolarHBondContact O-N 3.47Å; G341-G345 PolarHBondContact O-N 2.61Å
342	V	88.7	Confident	90.7	Very high	32 Å²	32	65.4 Å²	65.4	19%	0.194	37%	0.37	C	S	.	.	H	α-helix	trans	-62.4	-44.2	172.6	169.9	0	0	0	0	111.1	L251 T338 L339 N340 L344 G345 V346	L251-V342 HydrophobicContact CD1-CG1 3.41Å; L251-V342 VanDerWaalsContact CD1-CG1 3.41Å; T338-V342 WeakPolarHBondContact O-CG2 2.93Å; T338-V342 PolarHBondContact O-N 3.36Å; L339-V342 WeakPolarHBondContact O-CB 3.46Å; L339-V342 PolarHBondContact O-N 2.71Å; N340-V342 VanDerWaalsContact C-N 3.33Å; V342-L344 VanDerWaalsContact C-N 3.35Å; V342-L344 PolarHBondContact O-N 2.99Å; V342-G345 PolarHBondContact O-N 2.9Å; V342-V346 HydrophobicContact CG1-CG2 4.42Å; V342-V346 VanDerWaalsContact O-CG2 3.3Å; V342-V346 WeakPolarHBondContact O-CG2 3.47Å; V342-V346 PolarHBondContact O-N 3.28Å
343	V	90.6	Very high	90.6	Very high	37 Å²	37	60.9 Å²	60.9	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-44.6	175.9	172.8	0	0	0	0	111.4	L339 N340 V346 L347 L368	L339-V343 PolarHBondContact O-N 2.81Å; L339-V343 VanDerWaalsContact O-N 3.08Å; N340-V343 WeakPolarHBondContact O-CB 3.35Å; N340-V343 PolarHBondContact O-N 3.43Å; V343-V346 PolarHBondContact O-N 3.5Å; V343-L347 HydrophobicContact CG1-CD1 4.31Å; V343-L347 PolarHBondContact O-N 2.97Å; V343-L368 HydrophobicContact CG1-CD2 4.24Å
344	L	91.3	Very high	90.4	Very high	119 Å²	119	62.8 Å²	62.8	62%	0.623	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-42	176.4	-178.2	62.3	0	0	0	111.8	N340 G341 V342 L347 Y348	N340-L344 PolarHBondContact O-N 2.88Å; G341-L344 PolarHBondContact O-N 3.47Å; V342-L344 VanDerWaalsContact C-N 3.35Å; V342-L344 PolarHBondContact O-N 2.99Å; L344-L347 PolarHBondContact O-N 3.49Å; L344-Y348 WeakPolarHBondContact O-CB 3.48Å; L344-Y348 PolarHBondContact O-N 3.02Å
345	G	90.1	Very high	90.2	Very high	34 Å²	34	63.7 Å²	63.7	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-43.3	175.6	0	0	0	0	0	112.4	G341 V342 Y348 V349	G341-G345 PolarHBondContact O-N 2.61Å; V342-G345 PolarHBondContact O-N 2.9Å; G345-Y348 PolarHBondContact O-N 2.93Å; G345-V349 WeakPolarHBondContact O-CG2 3.33Å; G345-V349 PolarHBondContact O-N 3.06Å
346	V	89.9	Confident	90.2	Very high	13 Å²	13	69.7 Å²	69.7	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-41.6	174.6	170.4	0	0	0	0	111.3	V342 V343 G350 F367 L368	V342-V346 HydrophobicContact CG1-CG2 4.42Å; V342-V346 VanDerWaalsContact O-CG2 3.3Å; V342-V346 WeakPolarHBondContact O-CG2 3.47Å; V342-V346 PolarHBondContact O-N 3.28Å; V343-V346 PolarHBondContact O-N 3.5Å; V346-G350 WeakPolarHBondContact O-CA 3.24Å; V346-G350 PolarHBondContact O-N 3.26Å; V346-F367 HydrophobicContact CG1-CD1 3.5Å; V346-F367 HydrophobicContact CG1-CE1 3.67Å; V346-F367 HydrophobicContact CG2-CE1 4.04Å; V346-L368 HydrophobicContact CB-CD2 4.14Å; V346-L368 HydrophobicContact CG1-CD2 3.57Å; V346-L368 HydrophobicContact CG1-CG 4.27Å
347	L	91.3	Very high	89.9	Confident	79 Å²	79	69 Å²	69	41%	0.414	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-42	174.9	-80.6	168.1	0	0	0	112.5	V343 L344 G351 L368	V343-L347 HydrophobicContact CG1-CD1 4.31Å; V343-L347 PolarHBondContact O-N 2.97Å; L344-L347 PolarHBondContact O-N 3.49Å; L347-G351 WeakPolarHBondContact O-CA 3.2Å; L347-G351 PolarHBondContact O-N 2.96Å; L347-L368 HydrophobicContact CD2-CD1 3.57Å; L347-L368 HydrophobicContact CG-CD1 4.14Å; L347-L368 HydrophobicContact CG-CD2 4.27Å
348	Y	91.6	Very high	89.5	Confident	185 Å²	185	68.6 Å²	68.6	73%	0.725	39%	0.386	S	S	*	.	H	α-helix	trans	-67.3	-52.8	-179.9	-176.9	-95.6	0	0	0	111.9	L344 G345 G351 H352	L344-Y348 WeakPolarHBondContact O-CB 3.48Å; L344-Y348 PolarHBondContact O-N 3.02Å; G345-Y348 PolarHBondContact O-N 2.93Å; Y348-G351 PolarHBondContact O-N 3.4Å; Y348-H352 PolarHBondContact O-N 3.2Å
349	V	91.1	Very high	89.4	Confident	62 Å²	62	67.2 Å²	67.2	38%	0.376	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-40.5	179.3	-178.5	0	0	0	0	110.7	L247 G345 H352 L353	L247-V349 HydrophobicContact CD2-CB 3.91Å; L247-V349 HydrophobicContact CD2-CG1 3.57Å; G345-V349 WeakPolarHBondContact O-CG2 3.33Å; G345-V349 PolarHBondContact O-N 3.06Å; V349-H352 PolarHBondContact O-N 3.1Å; V349-L353 HydrophobicContact CG1-CD1 4.1Å; V349-L353 WeakPolarHBondContact O-CD1 3.13Å; V349-L353 WeakPolarHBondContact O-CG 3.5Å; V349-L353 PolarHBondContact O-N 2.99Å
350	G	91.5	Very high	89.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-38.9	176.5	0	0	0	0	0	112.9	V346 L353 M354	V346-G350 WeakPolarHBondContact O-CA 3.24Å; V346-G350 PolarHBondContact O-N 3.26Å; G350-L353 PolarHBondContact O-N 3.34Å; G350-M354 WeakPolarHBondContact O-CB 3.18Å; G350-M354 PolarHBondContact O-N 3.22Å
351	G	90.3	Very high	89.4	Confident	22 Å²	22	64.1 Å²	64.1	23%	0.227	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-38.9	174	0	0	0	0	0	112.7	L347 Y348 M354 S355	L347-G351 WeakPolarHBondContact O-CA 3.2Å; L347-G351 PolarHBondContact O-N 2.96Å; Y348-G351 PolarHBondContact O-N 3.4Å; G351-M354 PolarHBondContact O-N 3.21Å; G351-S355 PolarHBondContact O-N 2.89Å
352	H	91.2	Very high	89.4	Confident	90 Å²	90	62.3 Å²	62.3	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-66.8	-38.5	174.6	-175.1	75.9	0	0	0	112.9	Y348 V349 S355 R356	Y348-H352 PolarHBondContact O-N 3.2Å; V349-H352 PolarHBondContact O-N 3.1Å; H352-S355 PolarHBondContact O-N 3.35Å; H352-S355 PolarHBondContact O-OG 3.11Å; H352-R356 VanDerWaalsContact NE2-CZ 3.28Å; H352-R356 PolarHBondContact NE2-NE 3.14Å; H352-R356 PolarHBondContact NE2-NH2 3.3Å; H352-R356 VanDerWaalsContact NE2-NH2 3.16Å; H352-R356 PolarHBondContact O-N 3.11Å
353	L	90.6	Very high	89.6	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.084	36%	0.355	C	S	.	.	H	α-helix	trans	-68.1	-36.7	172.9	-72.9	157.1	0	0	0	111.7	L247 V349 G350 R356 G357 E358 L359	L247-L353 HydrophobicContact CD1-CD1 4.2Å; L247-L353 HydrophobicContact CD2-CD1 3.57Å; L247-L353 HydrophobicContact CG-CD1 3.55Å; V349-L353 HydrophobicContact CG1-CD1 4.1Å; V349-L353 WeakPolarHBondContact O-CD1 3.13Å; V349-L353 WeakPolarHBondContact O-CG 3.5Å; V349-L353 PolarHBondContact O-N 2.99Å; G350-L353 PolarHBondContact O-N 3.34Å; L353-R356 PolarHBondContact O-N 3.35Å; L353-G357 PolarHBondContact O-N 2.99Å; L353-E358 HydrophobicContact CD2-CB 4.41Å; L353-E358 WeakPolarHBondContact CD2-OE2 3.4Å; L353-E358 PolarHBondContact O-N 3.09Å; L353-E358 VanDerWaalsContact O-N 3.07Å; L353-L359 HydrophobicContact CB-CB 4.39Å; L353-L359 HydrophobicContact CB-CD1 3.75Å; L353-L359 HydrophobicContact CB-CG 4.37Å; L353-L359 HydrophobicContact CD1-CD1 3.9Å; L353-L359 HydrophobicContact CG-CD1 4.41Å
354	M	89.2	Confident	89.6	Confident	83 Å²	83	63.9 Å²	63.9	41%	0.409	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-39.8	174.7	-175.9	-179.4	70.5	0	0	111.8	G350 G351 R356 G357 L359 A361	G350-M354 WeakPolarHBondContact O-CB 3.18Å; G350-M354 PolarHBondContact O-N 3.22Å; G351-M354 PolarHBondContact O-N 3.21Å; M354-R356 PolarHBondContact O-N 3.4Å; M354-G357 PolarHBondContact O-N 2.62Å; M354-L359 WeakPolarHBondContact CA-O 3.43Å; M354-L359 WeakPolarHBondContact CG-O 3.44Å; M354-A361 HydrophobicContact SD-CB 4.26Å
355	S	88.5	Confident	89.7	Confident	94 Å²	94	61.6 Å²	61.6	66%	0.657	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-21.5	176.6	74.2	0	0	0	0	113.3	G351 H352 G357	G351-S355 PolarHBondContact O-N 2.89Å; H352-S355 PolarHBondContact O-N 3.35Å; H352-S355 PolarHBondContact O-OG 3.11Å; S355-G357 VanDerWaalsContact C-N 3.32Å
356	R	89.4	Confident	89.9	Confident	156 Å²	156	60.2 Å²	60.2	59%	0.589	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.9	172.2	-69.9	-178.7	175.4	-179.2	-2.1	113.6	H352 L353 M354 E358	H352-R356 VanDerWaalsContact NE2-CZ 3.28Å; H352-R356 PolarHBondContact NE2-NE 3.14Å; H352-R356 PolarHBondContact NE2-NH2 3.3Å; H352-R356 VanDerWaalsContact NE2-NH2 3.16Å; H352-R356 PolarHBondContact O-N 3.11Å; L353-R356 PolarHBondContact O-N 3.35Å; M354-R356 PolarHBondContact O-N 3.4Å; R356-E358 HydrophobicContact CB-CG 4.06Å; R356-E358 WeakPolarHBondContact CD-OE1 3.37Å; R356-E358 PolarHBondContact O-N 2.96Å
357	G	83.4	Confident	90.1	Very high	69 Å²	69	59.6 Å²	59.6	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	11.5	-174.7	0	0	0	0	0	114.1	L353 M354 S355	L353-G357 PolarHBondContact O-N 2.99Å; M354-G357 PolarHBondContact O-N 2.62Å; S355-G357 VanDerWaalsContact C-N 3.32Å
358	E	83.8	Confident	90.1	Very high	113 Å²	113	57 Å²	57	53%	0.528	30%	0.304	S	S	.	.	S	Bend	trans	-81	-19.8	179.2	-64.7	177.5	-150.1	0	0	112.4	L353 R356	L353-E358 HydrophobicContact CD2-CB 4.41Å; L353-E358 WeakPolarHBondContact CD2-OE2 3.4Å; L353-E358 PolarHBondContact O-N 3.09Å; L353-E358 VanDerWaalsContact O-N 3.07Å; R356-E358 HydrophobicContact CB-CG 4.06Å; R356-E358 WeakPolarHBondContact CD-OE1 3.37Å; R356-E358 PolarHBondContact O-N 2.96Å
359	L	87.1	Confident	90.2	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.094	28%	0.275	C	S	.	.	S	Bend	trans	-137.8	140.8	-179.2	-86.4	170	0	0	0	111.6	L247 L353 M354 H363	L247-L359 HydrophobicContact CD1-CD1 3.45Å; L247-L359 VanDerWaalsContact CD1-CD1 3.45Å; L247-L359 HydrophobicContact CG-CD1 4.17Å; L353-L359 HydrophobicContact CB-CB 4.39Å; L353-L359 HydrophobicContact CB-CD1 3.75Å; L353-L359 HydrophobicContact CB-CG 4.37Å; L353-L359 HydrophobicContact CD1-CD1 3.9Å; L353-L359 HydrophobicContact CG-CD1 4.41Å; M354-L359 WeakPolarHBondContact CA-O 3.43Å; M354-L359 WeakPolarHBondContact CG-O 3.44Å; L359-H363 HydrophobicContact CD2-CB 3.61Å
360	D	87.7	Confident	90.4	Very high	54 Å²	54	46 Å²	46	29%	0.289	26%	0.257	S	S	.	.			trans	-90.2	156.3	172.2	-176	26.5	0	0	0	111.1	S128 G362 H363 L364	S128-D360 WeakPolarHBondContact CB-OD2 3.45Å; S128-D360 PolarHBondContact OG-OD2 3.18Å; D360-G362 PolarHBondContact O-N 2.81Å; D360-H363 WeakPolarHBondContact O-CB 3.44Å; D360-H363 PolarHBondContact O-N 3.27Å; D360-L364 PolarHBondContact O-N 2.8Å
361	A	88.8	Confident	90.3	Very high	31 Å²	31	46.9 Å²	46.9	26%	0.256	26%	0.262	S	S	.	.	H	α-helix	trans	-55.5	-37.5	178.1	0	0	0	0	0	112.3	M354 L364 M365	M354-A361 HydrophobicContact SD-CB 4.26Å; A361-L364 PolarHBondContact O-N 3.49Å; A361-M365 PolarHBondContact O-N 3.46Å
362	G	90.9	Very high	90.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-31	176.1	0	0	0	0	0	114.1	G124 S128 D360 M365 S366	G124-G362 VanDerWaalsContact CA-O 3.22Å; G124-G362 WeakPolarHBondContact CA-O 3.2Å; G124-G362 WeakPolarHBondContact O-CA 3.15Å; S128-G362 VanDerWaalsContact OG-CA 3.28Å; S128-G362 WeakPolarHBondContact OG-CA 3.17Å; D360-G362 PolarHBondContact O-N 2.81Å; G362-M365 PolarHBondContact O-N 3.31Å; G362-S366 WeakPolarHBondContact O-CB 3.47Å; G362-S366 PolarHBondContact O-N 3.34Å; G362-S366 PolarHBondContact O-OG 2.74Å
363	H	92.6	Very high	90.4	Very high	86 Å²	86	46.8 Å²	46.8	40%	0.398	26%	0.258	S	S	.	.	H	α-helix	trans	-67.2	-42.1	171.4	-70.5	116.1	0	0	0	111.1	I243 L359 D360 S366 F367	I243-H363 HydrophobicContact CG2-CB 3.94Å; L359-H363 HydrophobicContact CD2-CB 3.61Å; D360-H363 WeakPolarHBondContact O-CB 3.44Å; D360-H363 PolarHBondContact O-N 3.27Å; H363-S366 WeakPolarHBondContact O-CB 2.94Å; H363-S366 PolarHBondContact O-N 3.02Å; H363-F367 WeakPolarHBondContact O-CB 3.34Å; H363-F367 PolarHBondContact O-N 3.24Å
364	L	92.4	Very high	90.5	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-43.5	174.5	-177.8	57.1	0	0	0	111.6	D360 A361 F367 L368	D360-L364 PolarHBondContact O-N 2.8Å; A361-L364 PolarHBondContact O-N 3.49Å; L364-F367 WeakPolarHBondContact O-CB 3.16Å; L364-F367 PolarHBondContact O-N 3.05Å; L364-L368 HydrophobicContact CG-CD1 4.35Å; L364-L368 WeakPolarHBondContact O-CG 3.48Å; L364-L368 PolarHBondContact O-N 3.1Å
365	M	92.4	Very high	90.4	Very high	72 Å²	72	46 Å²	46	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-44.4	175.4	-174.2	63.2	-177.6	0	0	112.1	L123 V127 A361 G362 F367 L368 A369	L123-M365 HydrophobicContact CD2-CE 3.72Å; L123-M365 HydrophobicContact CG-CE 4.43Å; V127-M365 HydrophobicContact CB-CB 4.49Å; V127-M365 HydrophobicContact CG1-CB 4.42Å; V127-M365 HydrophobicContact CG2-CB 4.42Å; V127-M365 HydrophobicContact CG2-CG 4.09Å; A361-M365 PolarHBondContact O-N 3.46Å; G362-M365 PolarHBondContact O-N 3.31Å; M365-F367 VanDerWaalsContact C-N 3.27Å; M365-F367 PolarHBondContact O-N 3.12Å; M365-L368 PolarHBondContact O-N 3.44Å; M365-A369 WeakPolarHBondContact O-CB 3.37Å; M365-A369 PolarHBondContact O-N 3.36Å
366	S	93.5	Very high	90.5	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.035	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-45.7	174.3	-61.9	0	0	0	0	111	G124 G362 H363 A369 T370	G124-S366 WeakPolarHBondContact CA-OG 3.22Å; G362-S366 WeakPolarHBondContact O-CB 3.47Å; G362-S366 PolarHBondContact O-N 3.34Å; G362-S366 PolarHBondContact O-OG 2.74Å; H363-S366 WeakPolarHBondContact O-CB 2.94Å; H363-S366 PolarHBondContact O-N 3.02Å; S366-A369 PolarHBondContact O-N 2.65Å; S366-T370 WeakPolarHBondContact O-CB 3.38Å; S366-T370 PolarHBondContact O-N 2.97Å; S366-T370 PolarHBondContact O-OG1 3.48Å
367	F	94	Very high	90.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-45.6	-179.5	-167.1	-81.2	0	0	0	111.1	L240 I243 L247 T248 L251 V346 H363 L364 M365 T371	L240-F367 HydrophobicContact CB-CE2 4.21Å; L240-F367 HydrophobicContact CD2-CD1 4.15Å; L240-F367 HydrophobicContact CD2-CD2 3.58Å; L240-F367 HydrophobicContact CD2-CE1 4.17Å; L240-F367 HydrophobicContact CD2-CE2 3.61Å; L240-F367 HydrophobicContact CD2-CG 3.86Å; L240-F367 HydrophobicContact CD2-CZ 3.9Å; L240-F367 HydrophobicContact CG-CE2 4.47Å; I243-F367 HydrophobicContact CB-CD2 4.49Å; I243-F367 HydrophobicContact CG2-CB 4.29Å; I243-F367 HydrophobicContact CG2-CD2 4.26Å; L247-F367 HydrophobicContact CB-CD2 4.21Å; L247-F367 HydrophobicContact CB-CE1 4.19Å; L247-F367 HydrophobicContact CB-CE2 3.56Å; L247-F367 HydrophobicContact CB-CZ 3.56Å; L247-F367 HydrophobicContact CD1-CD2 4.27Å; L247-F367 HydrophobicContact CD1-CE2 4.44Å; L247-F367 HydrophobicContact CD1-CG 4.31Å; T248-F367 WeakPolarHBondContact OG1-CE2 3.43Å; L251-F367 HydrophobicContact CD2-CZ 4.45Å; V346-F367 HydrophobicContact CG1-CD1 3.5Å; V346-F367 HydrophobicContact CG1-CE1 3.67Å; V346-F367 HydrophobicContact CG2-CE1 4.04Å; H363-F367 WeakPolarHBondContact O-CB 3.34Å; H363-F367 PolarHBondContact O-N 3.24Å; L364-F367 WeakPolarHBondContact O-CB 3.16Å; L364-F367 PolarHBondContact O-N 3.05Å; M365-F367 VanDerWaalsContact C-N 3.27Å; M365-F367 PolarHBondContact O-N 3.12Å; F367-T371 VanDerWaalsContact O-CB 3.29Å; F367-T371 WeakPolarHBondContact O-CB 3.46Å; F367-T371 PolarHBondContact O-N 3.39Å; F367-T371 PolarHBondContact O-OG1 2.81Å
368	L	92.8	Very high	91	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-49.8	177.1	-71.7	168.5	0	0	0	112.3	V343 V346 L347 L364 M365 T370 T371 Q372	V343-L368 HydrophobicContact CG1-CD2 4.24Å; V346-L368 HydrophobicContact CB-CD2 4.14Å; V346-L368 HydrophobicContact CG1-CD2 3.57Å; V346-L368 HydrophobicContact CG1-CG 4.27Å; L347-L368 HydrophobicContact CD2-CD1 3.57Å; L347-L368 HydrophobicContact CG-CD1 4.14Å; L347-L368 HydrophobicContact CG-CD2 4.27Å; L364-L368 HydrophobicContact CG-CD1 4.35Å; L364-L368 WeakPolarHBondContact O-CG 3.48Å; L364-L368 PolarHBondContact O-N 3.1Å; M365-L368 PolarHBondContact O-N 3.44Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 3.43Å; L368-T371 PolarHBondContact O-N 3.23Å; L368-Q372 WeakPolarHBondContact O-CG 3.47Å; L368-Q372 PolarHBondContact O-N 2.77Å
369	A	93.2	Very high	91.3	Very high	14 Å²	14	39.8 Å²	39.8	12%	0.116	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-37.1	179.8	0	0	0	0	0	112.2	P120 L123 M365 S366 Q372 T373	P120-A369 HydrophobicContact CB-CB 3.8Å; P120-A369 HydrophobicContact CG-CB 4.38Å; L123-A369 HydrophobicContact CD2-CB 4.36Å; M365-A369 WeakPolarHBondContact O-CB 3.37Å; M365-A369 PolarHBondContact O-N 3.36Å; S366-A369 PolarHBondContact O-N 2.65Å; A369-Q372 PolarHBondContact O-N 3.1Å; A369-T373 PolarHBondContact O-N 2.8Å; A369-T373 PolarHBondContact O-OG1 2.96Å
370	T	94.2	Very high	91.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-67.6	-42.5	174.9	-56.7	0	0	0	0	110.8	P120 A239 L240 S366 L368 Q372 T373 L374	P120-T370 VanDerWaalsContact CB-OG1 3.29Å; P120-T370 WeakPolarHBondContact CB-OG1 3.42Å; A239-T370 HydrophobicContact CB-CG2 4.08Å; L240-T370 HydrophobicContact CD1-CG2 4.47Å; L240-T370 HydrophobicContact CD2-CG2 3.84Å; L240-T370 HydrophobicContact CG-CG2 3.76Å; S366-T370 WeakPolarHBondContact O-CB 3.38Å; S366-T370 PolarHBondContact O-N 2.97Å; S366-T370 PolarHBondContact O-OG1 3.48Å; L368-T370 VanDerWaalsContact C-N 3.33Å; L368-T370 PolarHBondContact O-N 3.43Å; T370-Q372 VanDerWaalsContact C-N 3.34Å; T370-Q372 PolarHBondContact O-N 3.45Å; T370-T373 PolarHBondContact O-N 3.47Å; T370-L374 WeakPolarHBondContact O-CB 3.38Å; T370-L374 PolarHBondContact O-N 3.29Å
371	T	91.3	Very high	91.7	Very high	18 Å²	18	43.1 Å²	43.1	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-42.4	175.9	-59.9	0	0	0	0	111.5	L251 F367 L368 L374 Q375	L251-T371 HydrophobicContact CD2-CG2 4.16Å; F367-T371 VanDerWaalsContact O-CB 3.29Å; F367-T371 WeakPolarHBondContact O-CB 3.46Å; F367-T371 PolarHBondContact O-N 3.39Å; F367-T371 PolarHBondContact O-OG1 2.81Å; L368-T371 PolarHBondContact O-N 3.23Å; T371-L374 WeakPolarHBondContact O-CB 3.39Å; T371-L374 PolarHBondContact O-N 3.31Å; T371-Q375 WeakPolarHBondContact O-CB 3.41Å; T371-Q375 PolarHBondContact O-N 3.37Å
372	Q	90.6	Very high	91.5	Very high	86 Å²	86	45.8 Å²	45.8	40%	0.402	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-39.8	175.3	-71.2	179.9	-2	0	0	112.5	L368 A369 T370 Q375 R376	L368-Q372 WeakPolarHBondContact O-CG 3.47Å; L368-Q372 PolarHBondContact O-N 2.77Å; A369-Q372 PolarHBondContact O-N 3.1Å; T370-Q372 VanDerWaalsContact C-N 3.34Å; T370-Q372 PolarHBondContact O-N 3.45Å; Q372-Q375 PolarHBondContact O-N 3.25Å; Q372-R376 WeakPolarHBondContact O-CG 3.46Å; Q372-R376 PolarHBondContact O-N 2.94Å
373	T	91.8	Very high	91.4	Very high	24 Å²	24	48.3 Å²	48.3	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-42.3	176.6	-58.5	0	0	0	0	111	A369 T370 R376 S377	A369-T373 PolarHBondContact O-N 2.8Å; A369-T373 PolarHBondContact O-OG1 2.96Å; T370-T373 PolarHBondContact O-N 3.47Å; T373-R376 PolarHBondContact O-N 3.06Å; T373-S377 WeakPolarHBondContact O-CB 3.48Å; T373-S377 PolarHBondContact O-N 3.32Å; T373-S377 PolarHBondContact O-OG 2.99Å
374	L	92.1	Very high	91.4	Very high	15 Å²	15	44.7 Å²	44.7	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-48.8	173.6	177.3	59.7	0	0	0	111.3	V233 V237 L240 T370 T371 R376 S377 L378	V233-L374 HydrophobicContact CB-CD1 4.2Å; V233-L374 HydrophobicContact CG1-CD1 4.02Å; V233-L374 HydrophobicContact CG2-CD1 4.09Å; V237-L374 HydrophobicContact CG2-CD1 4.32Å; V237-L374 HydrophobicContact CG2-CD2 4.34Å; L240-L374 HydrophobicContact CD1-CD2 3.8Å; T370-L374 WeakPolarHBondContact O-CB 3.38Å; T370-L374 PolarHBondContact O-N 3.29Å; T371-L374 WeakPolarHBondContact O-CB 3.39Å; T371-L374 PolarHBondContact O-N 3.31Å; L374-R376 PolarHBondContact O-N 3.25Å; L374-S377 PolarHBondContact O-N 2.96Å; L374-L378 HydrophobicContact CD1-CD1 4.04Å; L374-L378 HydrophobicContact CD1-CG 4.15Å; L374-L378 HydrophobicContact CG-CD1 4.02Å; L374-L378 WeakPolarHBondContact O-CG 3.48Å; L374-L378 PolarHBondContact O-N 3.35Å
375	Q	88.8	Confident	91.2	Very high	67 Å²	67	52.3 Å²	52.3	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-57.4	-47.4	177.5	-178.6	-166	-29.3	0	0	112.1	L339 T371 Q372 S377 L378 T379	L339-Q375 HydrophobicContact CD2-CG 4.13Å; T371-Q375 WeakPolarHBondContact O-CB 3.41Å; T371-Q375 PolarHBondContact O-N 3.37Å; Q372-Q375 PolarHBondContact O-N 3.25Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; Q375-S377 PolarHBondContact O-N 3.43Å; Q375-L378 PolarHBondContact O-N 3.07Å; Q375-T379 WeakPolarHBondContact O-CB 3.21Å; Q375-T379 PolarHBondContact O-N 3.44Å; Q375-T379 PolarHBondContact O-OG1 3.14Å
376	R	90.6	Very high	90.9	Very high	170 Å²	170	50.4 Å²	50.4	64%	0.642	26%	0.258	S	S	*	.	H	α-helix	trans	-60.2	-43.4	176.8	-71.9	174.6	-176.4	176.5	3.3	111.2	Q372 T373 L374 T379 Q380	Q372-R376 WeakPolarHBondContact O-CG 3.46Å; Q372-R376 PolarHBondContact O-N 2.94Å; T373-R376 PolarHBondContact O-N 3.06Å; L374-R376 PolarHBondContact O-N 3.25Å; R376-T379 PolarHBondContact O-N 3.01Å; R376-Q380 VanDerWaalsContact O-CG 3.29Å; R376-Q380 WeakPolarHBondContact O-CG 3.2Å; R376-Q380 PolarHBondContact O-N 3.22Å
377	S	92.9	Very high	90.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-44.8	-179.4	-54.5	0	0	0	0	111.9	Q232 T373 L374 Q375 T379 Q380 L381	Q232-S377 WeakPolarHBondContact CB-OG 3.41Å; Q232-S377 PolarHBondContact OE1-OG 3.38Å; Q232-S377 VanDerWaalsContact OE1-OG 3.1Å; T373-S377 WeakPolarHBondContact O-CB 3.48Å; T373-S377 PolarHBondContact O-N 3.32Å; T373-S377 PolarHBondContact O-OG 2.99Å; L374-S377 PolarHBondContact O-N 2.96Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; Q375-S377 PolarHBondContact O-N 3.43Å; S377-T379 PolarHBondContact O-N 3.09Å; S377-Q380 PolarHBondContact O-N 3.49Å; S377-L381 WeakPolarHBondContact O-CB 3.41Å; S377-L381 PolarHBondContact O-N 3.34Å
378	L	90.2	Very high	90.8	Very high	56 Å²	56	54.2 Å²	54.2	29%	0.293	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-42.9	175.5	-73.5	170.1	0	0	0	112.1	V233 F259 L374 Q375 Q380 L381 S382	V233-L378 HydrophobicContact CG1-CD2 4.24Å; V233-L378 HydrophobicContact CG2-CD2 3.87Å; V233-L378 HydrophobicContact CG2-CG 4.09Å; F259-L378 HydrophobicContact CZ-CD1 4.38Å; L374-L378 HydrophobicContact CD1-CD1 4.04Å; L374-L378 HydrophobicContact CD1-CG 4.15Å; L374-L378 HydrophobicContact CG-CD1 4.02Å; L374-L378 WeakPolarHBondContact O-CG 3.48Å; L374-L378 PolarHBondContact O-N 3.35Å; Q375-L378 PolarHBondContact O-N 3.07Å; L378-Q380 VanDerWaalsContact C-N 3.33Å; L378-Q380 PolarHBondContact O-N 2.71Å; L378-L381 PolarHBondContact O-N 2.93Å; L378-S382 PolarHBondContact O-N 2.67Å
379	T	88.5	Confident	90.7	Very high	75 Å²	75	56.2 Å²	56.2	46%	0.46	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-44.6	177.5	-56.9	0	0	0	0	110.9	Q375 R376 S377 S382 L383	Q375-T379 WeakPolarHBondContact O-CB 3.21Å; Q375-T379 PolarHBondContact O-N 3.44Å; Q375-T379 PolarHBondContact O-OG1 3.14Å; R376-T379 PolarHBondContact O-N 3.01Å; S377-T379 PolarHBondContact O-N 3.09Å; T379-S382 PolarHBondContact O-N 2.86Å; T379-L383 WeakPolarHBondContact O-CG 3.39Å; T379-L383 PolarHBondContact O-N 3Å; T379-L383 VanDerWaalsContact O-N 3.11Å
380	Q	91.9	Very high	90.6	Very high	73 Å²	73	61.4 Å²	61.4	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-68.5	-35.8	178.1	-67.3	-66.5	-15.6	0	0	112.4	N229 R376 S377 L378 S382 L383 L384	N229-Q380 WeakPolarHBondContact ND2-CB 3.48Å; R376-Q380 VanDerWaalsContact O-CG 3.29Å; R376-Q380 WeakPolarHBondContact O-CG 3.2Å; R376-Q380 PolarHBondContact O-N 3.22Å; S377-Q380 PolarHBondContact O-N 3.49Å; L378-Q380 VanDerWaalsContact C-N 3.33Å; L378-Q380 PolarHBondContact O-N 2.71Å; Q380-S382 VanDerWaalsContact C-N 3.35Å; Q380-L383 PolarHBondContact O-N 2.76Å; Q380-L384 WeakPolarHBondContact O-CB 3.18Å; Q380-L384 PolarHBondContact O-N 3.05Å
381	L	91.3	Very high	90.6	Very high	68 Å²	68	61.5 Å²	61.5	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-38.8	175.1	-167.4	65.8	0	0	0	111.9	S377 L378 L384 Y385	S377-L381 WeakPolarHBondContact O-CB 3.41Å; S377-L381 PolarHBondContact O-N 3.34Å; L378-L381 PolarHBondContact O-N 2.93Å; L381-L384 HydrophobicContact CD1-CD2 4.16Å; L381-L384 WeakPolarHBondContact O-CB 3.45Å; L381-L384 PolarHBondContact O-N 2.92Å; L381-Y385 PolarHBondContact O-N 3.13Å; L381-Y385 VanDerWaalsContact O-N 3.17Å
382	S	86.2	Confident	90.7	Very high	88 Å²	88	67 Å²	67	62%	0.615	33%	0.329	S	S	*	.	H	α-helix	trans	-62.1	-42.8	172.9	179.9	0	0	0	0	112.1	L378 T379 Q380 L384 Y385	L378-S382 PolarHBondContact O-N 2.67Å; T379-S382 PolarHBondContact O-N 2.86Å; Q380-S382 VanDerWaalsContact C-N 3.35Å; S382-L384 VanDerWaalsContact C-N 3.32Å; S382-L384 PolarHBondContact O-N 3.38Å; S382-Y385 PolarHBondContact O-N 3.09Å
383	L	88	Confident	90.8	Very high	54 Å²	54	65.6 Å²	65.6	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-36.3	174.7	-69.5	175	0	0	0	112.5	M1 T379 Q380 Y385 G386 Q387	M1-L383 HydrophobicContact CB-CD2 4.46Å; T379-L383 WeakPolarHBondContact O-CG 3.39Å; T379-L383 PolarHBondContact O-N 3Å; T379-L383 VanDerWaalsContact O-N 3.11Å; Q380-L383 PolarHBondContact O-N 2.76Å; L383-Y385 VanDerWaalsContact C-N 3.34Å; L383-Y385 PolarHBondContact O-N 2.95Å; L383-G386 PolarHBondContact O-N 3.15Å; L383-Q387 PolarHBondContact O-N 3.1Å
384	L	92.3	Very high	91	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-38.1	178.5	179.7	67.2	0	0	0	112	Q221 Q380 L381 S382 G386 Q387 V388	Q221-L384 HydrophobicContact CB-CD1 3.83Å; Q380-L384 WeakPolarHBondContact O-CB 3.18Å; Q380-L384 PolarHBondContact O-N 3.05Å; L381-L384 HydrophobicContact CD1-CD2 4.16Å; L381-L384 WeakPolarHBondContact O-CB 3.45Å; L381-L384 PolarHBondContact O-N 2.92Å; S382-L384 VanDerWaalsContact C-N 3.32Å; S382-L384 PolarHBondContact O-N 3.38Å; L384-G386 VanDerWaalsContact C-N 3.29Å; L384-G386 PolarHBondContact O-N 3.15Å; L384-Q387 HydrophobicContact CD1-CB 4.47Å; L384-Q387 CarbonylContact O-C 3.55Å; L384-Q387 WeakPolarHBondContact O-CA 3.28Å; L384-Q387 WeakPolarHBondContact O-CB 3.46Å; L384-Q387 PolarHBondContact O-N 3.18Å; L384-V388 HydrophobicContact CD1-CG2 4.1Å; L384-V388 HydrophobicContact CG-CG2 3.99Å; L384-V388 WeakPolarHBondContact O-CG2 3.41Å; L384-V388 PolarHBondContact O-N 3.31Å
385	Y	88.9	Confident	91.1	Very high	175 Å²	175	63.9 Å²	63.9	69%	0.686	32%	0.317	S	S	*	.	H	α-helix	trans	-52.7	-47.6	177.8	177.9	-100.5	0	0	0	112	L381 S382 L383 Q387 V388 V389	L381-Y385 PolarHBondContact O-N 3.13Å; L381-Y385 VanDerWaalsContact O-N 3.17Å; S382-Y385 PolarHBondContact O-N 3.09Å; L383-Y385 VanDerWaalsContact C-N 3.34Å; L383-Y385 PolarHBondContact O-N 2.95Å; Y385-Q387 VanDerWaalsContact C-N 3.27Å; Y385-Q387 PolarHBondContact O-N 3Å; Y385-V388 PolarHBondContact O-N 3.41Å; Y385-V389 HydrophobicContact CD1-CG2 4.49Å; Y385-V389 HydrophobicContact CE1-CG2 4.07Å; Y385-V389 HydrophobicContact CE2-CG2 4.28Å; Y385-V389 WeakPolarHBondContact O-CG2 3.42Å; Y385-V389 PolarHBondContact O-N 3.49Å
386	G	86.3	Confident	91.3	Very high	32 Å²	32	65.9 Å²	65.9	33%	0.33	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-25.5	176.8	0	0	0	0	0	114.1	L383 L384 R390	L383-G386 PolarHBondContact O-N 3.15Å; L384-G386 VanDerWaalsContact C-N 3.29Å; L384-G386 PolarHBondContact O-N 3.15Å; G386-R390 WeakPolarHBondContact O-CG 3.03Å; G386-R390 PolarHBondContact O-N 3.03Å; G386-R390 PolarHBondContact O-NE 3.25Å; G386-R390 VanDerWaalsContact O-NE 3.09Å
387	Q	91.5	Very high	91.5	Very high	27 Å²	27	62.4 Å²	62.4	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-77	-39.9	173.8	-65.8	166.2	-6.4	0	0	111.5	S218 Q221 L383 L384 Y385 R390 G391	S218-Q387 WeakPolarHBondContact CB-O 3.03Å; S218-Q387 PolarHBondContact OG-O 3.47Å; Q221-Q387 VanDerWaalsContact OE1-CG 3.31Å; L383-Q387 PolarHBondContact O-N 3.1Å; L384-Q387 HydrophobicContact CD1-CB 4.47Å; L384-Q387 CarbonylContact O-C 3.55Å; L384-Q387 WeakPolarHBondContact O-CA 3.28Å; L384-Q387 WeakPolarHBondContact O-CB 3.46Å; L384-Q387 PolarHBondContact O-N 3.18Å; Y385-Q387 VanDerWaalsContact C-N 3.27Å; Y385-Q387 PolarHBondContact O-N 3Å; Q387-R390 PolarHBondContact O-N 3.41Å; Q387-G391 PolarHBondContact O-N 3.37Å
388	V	93	Very high	91.5	Very high	58 Å²	58	62.3 Å²	62.3	35%	0.352	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-46.9	177	171.7	0	0	0	0	110.7	C222 L384 Y385 R390 G391 Y392	C222-V388 HydrophobicContact CB-CG2 4.48Å; L384-V388 HydrophobicContact CD1-CG2 4.1Å; L384-V388 HydrophobicContact CG-CG2 3.99Å; L384-V388 WeakPolarHBondContact O-CG2 3.41Å; L384-V388 PolarHBondContact O-N 3.31Å; Y385-V388 PolarHBondContact O-N 3.41Å; V388-R390 VanDerWaalsContact C-N 3.32Å; V388-R390 PolarHBondContact O-N 2.99Å; V388-G391 PolarHBondContact O-N 3.45Å; V388-Y392 WeakPolarHBondContact O-CB 3.36Å; V388-Y392 PolarHBondContact O-N 3.45Å
389	V	91.3	Very high	91.6	Very high	67 Å²	67	60.7 Å²	60.7	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-42.9	177.3	173.3	0	0	0	0	111.7	Y385 Y392 T393	Y385-V389 HydrophobicContact CD1-CG2 4.49Å; Y385-V389 HydrophobicContact CE1-CG2 4.07Å; Y385-V389 HydrophobicContact CE2-CG2 4.28Å; Y385-V389 WeakPolarHBondContact O-CG2 3.42Å; Y385-V389 PolarHBondContact O-N 3.49Å; V389-Y392 PolarHBondContact O-N 2.65Å; V389-T393 WeakPolarHBondContact O-CG2 3.41Å; V389-T393 PolarHBondContact O-N 2.96Å; V389-T393 PolarHBondContact O-OG1 3.01Å
390	R	90.4	Very high	91.6	Very high	124 Å²	124	61 Å²	61	47%	0.468	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-41.9	176.3	-75.1	-176.3	-65.7	-176.9	7.1	112.6	G386 Q387 V388 T393 A394	G386-R390 WeakPolarHBondContact O-CG 3.03Å; G386-R390 PolarHBondContact O-N 3.03Å; G386-R390 PolarHBondContact O-NE 3.25Å; G386-R390 VanDerWaalsContact O-NE 3.09Å; Q387-R390 PolarHBondContact O-N 3.41Å; V388-R390 VanDerWaalsContact C-N 3.32Å; V388-R390 PolarHBondContact O-N 2.99Å; R390-T393 PolarHBondContact O-OG1 3.18Å; R390-A394 PolarHBondContact O-N 3.44Å
391	G	94.4	Very high	91.5	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-40.6	176.8	0	0	0	0	0	112.5	S218 Q387 V388 A394 L395	S218-G391 VanDerWaalsContact CB-CA 3.49Å; S218-G391 VanDerWaalsContact OG-CA 3.24Å; S218-G391 WeakPolarHBondContact OG-CA 3.11Å; S218-G391 PolarHBondContact OG-N 3.49Å; Q387-G391 PolarHBondContact O-N 3.37Å; V388-G391 PolarHBondContact O-N 3.45Å; G391-A394 PolarHBondContact O-N 3.1Å; G391-L395 WeakPolarHBondContact O-CB 3.29Å; G391-L395 PolarHBondContact O-N 3.27Å
392	Y	93.9	Very high	91.4	Very high	133 Å²	133	54.7 Å²	54.7	52%	0.522	27%	0.269	S	S	.	.	H	α-helix	trans	-66.8	-42.5	179.3	-177.1	-101.4	0	0	0	112.4	I87 V388 V389 L395 K396	I87-Y392 HydrophobicContact CD1-CE2 4.22Å; V388-Y392 WeakPolarHBondContact O-CB 3.36Å; V388-Y392 PolarHBondContact O-N 3.45Å; V389-Y392 PolarHBondContact O-N 2.65Å; Y392-L395 PolarHBondContact O-N 2.97Å; Y392-K396 PolarHBondContact O-N 3.43Å
393	T	93.1	Very high	91.4	Very high	58 Å²	58	52.6 Å²	52.6	36%	0.356	26%	0.257	S	S	.	.	H	α-helix	trans	-65.6	-38.4	176.9	52.1	0	0	0	0	112.4	V389 R390 K396 R397	V389-T393 WeakPolarHBondContact O-CG2 3.41Å; V389-T393 PolarHBondContact O-N 2.96Å; V389-T393 PolarHBondContact O-OG1 3.01Å; R390-T393 PolarHBondContact O-OG1 3.18Å; T393-K396 PolarHBondContact O-N 3.43Å; T393-R397 PolarHBondContact O-N 2.92Å
394	A	94.5	Very high	91.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-45.8	171.8	0	0	0	0	0	111.8	D211 N214 F215 R390 G391 K396 R397 I398	D211-A394 HydrophobicContact CB-CB 3.86Å; N214-A394 HydrophobicContact CB-CB 4.11Å; F215-A394 HydrophobicContact CB-CB 4.49Å; R390-A394 PolarHBondContact O-N 3.44Å; G391-A394 PolarHBondContact O-N 3.1Å; A394-K396 VanDerWaalsContact C-N 3.32Å; A394-K396 PolarHBondContact O-N 2.95Å; A394-R397 PolarHBondContact O-N 2.87Å; A394-I398 WeakPolarHBondContact O-CG1 3.46Å; A394-I398 PolarHBondContact O-N 2.81Å
395	L	94.9	Very high	90.7	Very high	3 Å²	3	56 Å²	56	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-39.8	176.7	-178	62.7	0	0	0	112.6	I87 Y90 I91 F215 G391 Y392 I398 H399	I87-L395 HydrophobicContact CG2-CD2 3.31Å; I87-L395 HydrophobicContact CG2-CG 3.98Å; Y90-L395 HydrophobicContact CD1-CD1 4.15Å; Y90-L395 HydrophobicContact CE1-CD1 4.03Å; I91-L395 HydrophobicContact CD1-CD2 3.63Å; I91-L395 HydrophobicContact CG1-CD2 3.86Å; F215-L395 HydrophobicContact CD1-CD1 4.15Å; F215-L395 HydrophobicContact CD2-CB 3.7Å; F215-L395 HydrophobicContact CD2-CD1 4.23Å; F215-L395 HydrophobicContact CD2-CD2 4.15Å; F215-L395 HydrophobicContact CD2-CG 4.25Å; F215-L395 HydrophobicContact CE1-CD1 3.98Å; F215-L395 HydrophobicContact CE2-CB 4.01Å; F215-L395 HydrophobicContact CE2-CD1 4.08Å; F215-L395 HydrophobicContact CE2-CD2 3.55Å; F215-L395 HydrophobicContact CE2-CG 4.1Å; F215-L395 HydrophobicContact CG-CB 4.2Å; F215-L395 HydrophobicContact CG-CD1 4.27Å; F215-L395 HydrophobicContact CZ-CD1 3.93Å; F215-L395 HydrophobicContact CZ-CD2 3.86Å; F215-L395 HydrophobicContact CZ-CG 4.39Å; G391-L395 WeakPolarHBondContact O-CB 3.29Å; G391-L395 PolarHBondContact O-N 3.27Å; Y392-L395 PolarHBondContact O-N 2.97Å; L395-I398 PolarHBondContact O-N 2.96Å; L395-H399 WeakPolarHBondContact O-CB 3.47Å; L395-H399 PolarHBondContact O-N 3.37Å
396	K	94.1	Very high	89.8	Confident	109 Å²	109	49.8 Å²	49.8	47%	0.474	26%	0.263	S	S	.	.	H	α-helix	trans	-58.2	-49.1	176.3	-173.9	-178.4	176	-177.3	0	110.8	Y392 T393 A394 I398 H399 D400	Y392-K396 PolarHBondContact O-N 3.43Å; T393-K396 PolarHBondContact O-N 3.43Å; A394-K396 VanDerWaalsContact C-N 3.32Å; A394-K396 PolarHBondContact O-N 2.95Å; K396-I398 VanDerWaalsContact C-N 3.34Å; K396-I398 PolarHBondContact O-N 3.26Å; K396-H399 PolarHBondContact O-N 2.9Å; K396-H399 VanDerWaalsContact O-N 3.16Å; K396-D400 PolarHBondContact O-N 2.81Å
397	R	93.3	Very high	88.9	Confident	96 Å²	96	48.5 Å²	48.5	36%	0.362	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-40.4	177.4	-69.9	-171.2	-67.4	-94.9	3	112.9	D211 T393 A394 D400 I401	D211-R397 VanDerWaalsContact CG-NH2 3.31Å; D211-R397 IonicContact OD1-CZ 2.67Å; D211-R397 IonicContact OD1-NE 3.74Å; D211-R397 IonicContact OD1-NH2 3.86Å; D211-R397 PolarHBondContact OD1-NH2 3.11Å; D211-R397 IonicContact OD2-CZ 3.36Å; D211-R397 IonicContact OD2-NE 3.28Å; D211-R397 PolarHBondContact OD2-NE 3.26Å; D211-R397 IonicContact OD2-NH2 2.65Å; D211-R397 PolarHBondContact OD2-NH2 3.39Å; T393-R397 PolarHBondContact O-N 2.92Å; A394-R397 PolarHBondContact O-N 2.87Å; R397-D400 PolarHBondContact O-N 3.45Å; R397-I401 PolarHBondContact O-N 2.88Å
398	I	93.1	Very high	87.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-47.4	174.5	-69.3	168.5	0	0	0	110.5	M180 L184 I207 D211 V212 A394 L395 K396 I401 L402	M180-I398 HydrophobicContact SD-CD1 4.36Å; L184-I398 HydrophobicContact CD1-CG1 4.14Å; L184-I398 HydrophobicContact CD1-CG2 4.04Å; L184-I398 HydrophobicContact CD2-CG2 4.13Å; L184-I398 HydrophobicContact CG-CG2 4.31Å; I207-I398 HydrophobicContact CG2-CG1 4Å; D211-I398 HydrophobicContact CB-CD1 4.24Å; D211-I398 HydrophobicContact CB-CG1 4.33Å; V212-I398 HydrophobicContact CG2-CD1 3.89Å; A394-I398 WeakPolarHBondContact O-CG1 3.46Å; A394-I398 PolarHBondContact O-N 2.81Å; L395-I398 PolarHBondContact O-N 2.96Å; K396-I398 VanDerWaalsContact C-N 3.34Å; K396-I398 PolarHBondContact O-N 3.26Å; I398-I401 PolarHBondContact O-N 2.97Å; I398-L402 HydrophobicContact CG2-CD1 4.02Å; I398-L402 WeakPolarHBondContact O-CG 3.48Å; I398-L402 PolarHBondContact O-N 2.86Å; I398-L402 VanDerWaalsContact O-N 3.16Å
399	H	91.7	Very high	85.4	Confident	22 Å²	22	49 Å²	49	10%	0.102	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-40.5	-179.9	-175.8	71.4	0	0	0	112.1	A82 I87 L395 K396 I401 L402 A403	A82-H399 PolarHBondContact O-CE1 3.02Å; I87-H399 HydrophobicContact CG1-CB 4.19Å; L395-H399 WeakPolarHBondContact O-CB 3.47Å; L395-H399 PolarHBondContact O-N 3.37Å; K396-H399 PolarHBondContact O-N 2.9Å; K396-H399 VanDerWaalsContact O-N 3.16Å; H399-I401 VanDerWaalsContact C-N 3.29Å; H399-I401 PolarHBondContact O-N 3.02Å; H399-L402 PolarHBondContact O-N 3.22Å; H399-L402 VanDerWaalsContact O-N 3.11Å; H399-A403 VanDerWaalsContact O-CB 3.28Å; H399-A403 WeakPolarHBondContact O-CB 3.4Å; H399-A403 PolarHBondContact O-N 3.5Å
400	D	90.3	Very high	83.3	Confident	83 Å²	83	49.2 Å²	49.2	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-40.5	178.1	-66.3	-18	0	0	0	111.1	K396 R397 L404	K396-D400 PolarHBondContact O-N 2.81Å; R397-D400 PolarHBondContact O-N 3.45Å; D400-L404 PolarHBondContact O-N 2.93Å
401	I	89.7	Confident	81	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-44.7	174.2	-67.1	-179	0	0	0	111.6	L184 K187 L188 L204 I207 R397 I398 H399 A403 L404	L184-I401 HydrophobicContact CD2-CB 3.97Å; L184-I401 HydrophobicContact CD2-CD1 4.48Å; L184-I401 HydrophobicContact CD2-CG2 3.79Å; K187-I401 HydrophobicContact CG-CG2 4.41Å; L188-I401 HydrophobicContact CD2-CD1 4.44Å; L188-I401 HydrophobicContact CD2-CG2 3.78Å; L188-I401 HydrophobicContact CG-CG2 3.98Å; L204-I401 HydrophobicContact CD2-CD1 4.17Å; I207-I401 HydrophobicContact CB-CD1 4.34Å; I207-I401 HydrophobicContact CD1-CD1 3.63Å; I207-I401 HydrophobicContact CG2-CD1 3.88Å; R397-I401 PolarHBondContact O-N 2.88Å; I398-I401 PolarHBondContact O-N 2.97Å; H399-I401 VanDerWaalsContact C-N 3.29Å; H399-I401 PolarHBondContact O-N 3.02Å; I401-A403 VanDerWaalsContact C-N 3.25Å; I401-A403 PolarHBondContact O-N 3.29Å; I401-L404 HydrophobicContact CG2-CD1 4.38Å; I401-L404 WeakPolarHBondContact O-CB 3.4Å; I401-L404 WeakPolarHBondContact O-CG 3.44Å; I401-L404 PolarHBondContact O-N 2.82Å
402	L	88.1	Confident	78.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-30.3	-179.4	-67.3	172.4	0	0	0	112.3	A82 Y90 Q183 L184 K187 I398 H399 L404	A82-L402 HydrophobicContact CB-CB 4.27Å; Y90-L402 HydrophobicContact CE1-CD1 4.26Å; Y90-L402 HydrophobicContact CE2-CD1 3.69Å; Y90-L402 VanDerWaalsContact OH-CD1 3.31Å; Y90-L402 WeakPolarHBondContact OH-CD1 3.36Å; Q183-L402 HydrophobicContact CB-CD2 4.1Å; L184-L402 HydrophobicContact CD2-CD2 4.12Å; L184-L402 HydrophobicContact CD2-CG 4.01Å; L184-L402 HydrophobicContact CG-CD2 4.49Å; K187-L402 HydrophobicContact CB-CD2 4.18Å; K187-L402 HydrophobicContact CG-CD2 4.4Å; I398-L402 HydrophobicContact CG2-CD1 4.02Å; I398-L402 WeakPolarHBondContact O-CG 3.48Å; I398-L402 PolarHBondContact O-N 2.86Å; I398-L402 VanDerWaalsContact O-N 3.16Å; H399-L402 PolarHBondContact O-N 3.22Å; H399-L402 VanDerWaalsContact O-N 3.11Å; L402-L404 VanDerWaalsContact C-N 3.3Å
403	A	87.2	Confident	75.2	Confident	43 Å²	43	47.9 Å²	47.9	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-76.3	-13.1	177.4	0	0	0	0	0	113.7	H399 I401	H399-A403 VanDerWaalsContact O-CB 3.28Å; H399-A403 WeakPolarHBondContact O-CB 3.4Å; H399-A403 PolarHBondContact O-N 3.5Å; I401-A403 VanDerWaalsContact C-N 3.25Å; I401-A403 PolarHBondContact O-N 3.29Å
404	L	85.2	Confident	72.3	Confident	41 Å²	41	50.1 Å²	50.1	22%	0.215	31%	0.305	C	S	.	.	S	Bend	trans	-54.2	143.1	177.9	-69.8	168.7	0	0	0	111.3	K187 Y195 D400 I401 L402	K187-L404 WeakPolarHBondContact CE-O 3.2Å; K187-L404 PolarHBondContact NZ-O 3.43Å; Y195-L404 HydrophobicContact CD2-CD1 4.12Å; Y195-L404 HydrophobicContact CE2-CD1 3.44Å; Y195-L404 VanDerWaalsContact CE2-CD1 3.44Å; Y195-L404 HydrophobicContact CE2-CD2 4.33Å; D400-L404 PolarHBondContact O-N 2.93Å; I401-L404 HydrophobicContact CG2-CD1 4.38Å; I401-L404 WeakPolarHBondContact O-CB 3.4Å; I401-L404 WeakPolarHBondContact O-CG 3.44Å; I401-L404 PolarHBondContact O-N 2.82Å; L402-L404 VanDerWaalsContact C-N 3.3Å
405	P	79	Confident	69.1	Low	94 Å²	94	53.2 Å²	53.2	61%	0.61	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-59.6	145.8	167	27.7	-33.1	0	0	0	109.2	Q191	Q191-P405 PolarHBondContact NE2-O 3.23Å; Q191-P405 PolarHBondContact OE1-O 2.93Å; Q191-P405 VanDerWaalsContact OE1-O 3.1Å
406	S	71.8	Confident	65.8	Low	45 Å²	45	58.2 Å²	58.2	32%	0.315	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-71.9	141.3	176.8	-50.3	0	0	0	0	109.1	K187	K187-S406 PolarHBondContact NZ-OG 3Å
407	G	65.9	Low	62.5	Low	6 Å²	6	58.1 Å²	58.1	6%	0.062	38%	0.375	C	S	.	.			trans	-66.9	178.9	179.6	0	0	0	0	0	114.9	D192 G409 S410	D192-G407 VanDerWaalsContact CG-CA 3.4Å; D192-G407 WeakPolarHBondContact OD1-CA 3.25Å; D192-G407 WeakPolarHBondContact OD2-CA 3.45Å; G407-G409 PolarHBondContact O-N 3.04Å; G407-S410 PolarHBondContact O-N 2.96Å; G407-S410 VanDerWaalsContact O-N 3.16Å
408	I	57.5	Low	59.3	Low	60 Å²	60	61.6 Å²	61.6	31%	0.308	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.1	-175.1	-58.5	162.2	0	0	0	112	D192 S410 V513	D192-I408 WeakPolarHBondContact OD1-CG1 3.16Å; D192-I408 PolarHBondContact OD1-N 2.95Å; D192-I408 PolarHBondContact OD2-N 3.14Å; I408-S410 PolarHBondContact O-N 2.69Å; I408-V513 HydrophobicContact CG2-CG2 4.1Å
409	G	53.8	Low	56.3	Low	34 Å²	34	68.4 Å²	68.4	35%	0.351	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	35.6	178.8	0	0	0	0	0	115.7	G407	G407-G409 PolarHBondContact O-N 3.04Å
410	S	47.5	Very low	53.2	Low	73 Å²	73	73.7 Å²	73.7	51%	0.51	48%	0.475	S	S	.	.			trans	-52.4	142.5	-167.4	63.6	0	0	0	0	116.1	G407 I408	G407-S410 PolarHBondContact O-N 2.96Å; G407-S410 VanDerWaalsContact O-N 3.16Å; I408-S410 PolarHBondContact O-N 2.69Å
411	I	42.5	Very low	50.1	Low	22 Å²	22	74.7 Å²	74.7	11%	0.113	49%	0.489	C	S	.	.			trans	-43	131.7	177.2	-57.2	152.1	0	0	0	111.1	Y190 S413	Y190-I411 HydrophobicContact CD1-CG1 4.47Å; Y190-I411 HydrophobicContact CD2-CD1 4.5Å; Y190-I411 HydrophobicContact CD2-CG1 3.98Å; Y190-I411 HydrophobicContact CE2-CG1 4.24Å; Y190-I411 HydrophobicContact CG-CG1 4.14Å; I411-S413 PolarHBondContact O-N 3.08Å; I411-S413 PolarHBondContact O-OG 2.64Å
412	P	33.4	Very low	47.2	Very low	112 Å²	112	84.6 Å²	84.6	73%	0.727	53%	0.531	S	S	*	.			trans	-57.3	106.6	172.7	21.1	-29.3	0	0	0	108.9	S414	P412-S414 PolarHBondContact O-N 2.84Å; P412-S414 VanDerWaalsContact O-N 3.12Å
413	S	32.6	Very low	44.2	Very low	97 Å²	97	93 Å²	93	68%	0.678	57%	0.571	S	S	*	*			trans	-85.7	85.1	-172.8	-58.3	0	0	0	0	108.5	I411 S415	I411-S413 PolarHBondContact O-N 3.08Å; I411-S413 PolarHBondContact O-OG 2.64Å; S413-S415 PolarHBondContact O-N 3.15Å; S413-S415 VanDerWaalsContact O-N 3.13Å
414	S	31.7	Very low	41.5	Very low	104 Å²	104	99 Å²	99	73%	0.727	59%	0.591	S	S	*	*			trans	-82	64.5	168.3	56.5	0	0	0	0	110.2	P412	P412-S414 PolarHBondContact O-N 2.84Å; P412-S414 VanDerWaalsContact O-N 3.12Å
415	S	27.3	Very low	39.2	Very low	65 Å²	65	102.3 Å²	102.3	46%	0.455	61%	0.613	S	S	.	*	S	Bend	trans	174.6	111.2	160.4	28.3	0	0	0	0	112.8	S413	S413-S415 PolarHBondContact O-N 3.15Å; S413-S415 VanDerWaalsContact O-N 3.13Å
416	S	26	Very low	36.9	Very low	108 Å²	108	105.1 Å²	105.1	76%	0.755	62%	0.623	S	S	*	*			trans	35.6	134.2	138.8	52.3	0	0	0	0	123
417	S	24.5	Very low	35.1	Very low	107 Å²	107	110.5 Å²	110.5	75%	0.748	65%	0.648	S	S	*	*			trans	73.5	94.2	149	51.9	0	0	0	0	119
418	L	26.3	Very low	34.3	Very low	170 Å²	170	113.8 Å²	113.8	89%	0.89	66%	0.663	S	S	*	*				-174.1	151.6	108.3	-91.5	165	0	0	0	110	V420	L418-V420 PolarHBondContact O-N 3.49Å
419	V	30.8	Very low	33.9	Very low	142 Å²	142	115.9 Å²	115.9	86%	0.861	67%	0.67	S	S	*	*			trans	-70	94.3	-160.4	-179.3	0	0	0	0	112.2
420	V	26.5	Very low	33.9	Very low	133 Å²	133	120.9 Å²	120.9	81%	0.806	68%	0.684	S	S	*	*	S	Bend	trans	-135.3	108.3	150.9	-178.9	0	0	0	0	107.2	L418 K422	L418-V420 PolarHBondContact O-N 3.49Å; V420-K422 PolarHBondContact O-N 2.77Å
421	S	25.8	Very low	34.1	Very low	105 Å²	105	118.2 Å²	118.2	73%	0.734	66%	0.664	S	S	*	*			trans	20.7	94.1	167.1	-58.3	0	0	0	0	117.4	Q423	S421-Q423 PolarHBondContact O-N 3.45Å
422	K	27.5	Very low	34.3	Very low	215 Å²	215	120.8 Å²	120.8	94%	0.935	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	24.2	170.7	-102.1	-175.3	178.1	-177.9	0	115.7	V420	V420-K422 PolarHBondContact O-N 2.77Å
423	Q	25	Very low	35	Very low	178 Å²	178	120 Å²	120	83%	0.832	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	3.8	-173.2	-76.8	-165.1	-14.5	0	0	116.9	S421	S421-Q423 PolarHBondContact O-N 3.45Å
424	H	30.3	Very low	35.3	Very low	169 Å²	169	120 Å²	120	78%	0.782	68%	0.679	S	S	*	*	S	Bend	trans	-137.8	15.1	179.8	-111.6	38.5	0	0	0	118.7
425	V	37.6	Very low	36	Very low	110 Å²	110	116.5 Å²	116.5	67%	0.667	66%	0.655	S	S	*	*	S	Bend	trans	-108.6	-14.8	177.5	-173.7	0	0	0	0	114
426	N	31.5	Very low	37	Very low	153 Å²	153	116.7 Å²	116.7	82%	0.818	65%	0.65	S	S	*	*	S	Bend	trans	-91.8	0.1	-171.7	-78.5	7.4	0	0	0	116.6
427	N	33.8	Very low	38.1	Very low	157 Å²	157	121.7 Å²	121.7	84%	0.84	65%	0.654	S	S	*	*			trans	-129.6	53.3	176.5	-79.7	-8.7	0	0	0	111.3	K429	N427-K429 PolarHBondContact O-N 3.36Å
428	I	47.8	Very low	40	Very low	75 Å²	75	120 Å²	120	39%	0.385	64%	0.642	S	S	.	*			trans	-71.8	105.3	172.2	-55.1	170.8	0	0	0	107.4	E430 N512	I428-E430 PolarHBondContact O-N 3.23Å; I428-N512 HydrophobicContact CG2-CB 3.51Å
429	K	49.1	Very low	42.4	Very low	105 Å²	105	113 Å²	113	46%	0.457	61%	0.609	S	S	.	*			trans	-68.1	115.3	-173.1	-143.9	178.8	-174	-172.1	0	108.7	N427 D506	N427-K429 PolarHBondContact O-N 3.36Å; K429-D506 IonicContact NZ-OD1 2.71Å; K429-D506 PolarHBondContact NZ-OD1 2.91Å; K429-D506 IonicContact NZ-OD2 2.69Å; K429-D506 PolarHBondContact NZ-OD2 3Å
430	E	53.9	Low	45	Very low	138 Å²	138	106.4 Å²	106.4	65%	0.645	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-85.7	135	160	-66.4	-173.7	178.6	0	0	107.3	I428 P432 Y515	I428-E430 PolarHBondContact O-N 3.23Å; E430-P432 WeakPolarHBondContact O-CD 3.23Å; E430-Y515 HydrophobicContact CG-CD2 4.43Å
431	L	52.7	Low	48.1	Very low	18 Å²	18	101.4 Å²	101.4	9%	0.094	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-63.2	124.6	175.8	-168.3	72.6	0	0	0	107.6	S433 S435 I436 Y515	L431-S433 PolarHBondContact O-N 3.32Å; L431-S435 WeakPolarHBondContact CD1-OG 3.42Å; L431-S435 VanDerWaalsContact CG-OG 3.23Å; L431-S435 WeakPolarHBondContact CG-OG 3.2Å; L431-I436 HydrophobicContact CD2-CG1 4.27Å; L431-Y515 HydrophobicContact CB-CE1 4.38Å
432	P	45.6	Very low	51.4	Low	76 Å²	76	96.6 Å²	96.6	49%	0.494	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-56	135.2	-179.2	11.7	-19.3	0	0	0	109.4	E430 S434 S435	E430-P432 WeakPolarHBondContact O-CD 3.23Å; P432-S434 PolarHBondContact O-N 3.31Å; P432-S435 WeakPolarHBondContact CD-OG 3.49Å; P432-S435 WeakPolarHBondContact CG-OG 3.41Å; P432-S435 PolarHBondContact O-N 3.31Å; P432-S435 PolarHBondContact O-OG 3.48Å
433	S	47.8	Very low	54.6	Low	95 Å²	95	89.8 Å²	89.8	66%	0.664	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-25	-173.8	-46.5	0	0	0	0	113.5	L431	L431-S433 PolarHBondContact O-N 3.32Å
434	S	40.3	Very low	58	Low	97 Å²	97	81.4 Å²	81.4	68%	0.678	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.2	174.8	52.1	0	0	0	0	114.7	P432	P432-S434 PolarHBondContact O-N 3.31Å
435	S	45.5	Very low	61	Low	31 Å²	31	74.9 Å²	74.9	22%	0.217	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-3.8	179.4	59.5	0	0	0	0	114.3	L431 P432 Y437 S438	L431-S435 WeakPolarHBondContact CD1-OG 3.42Å; L431-S435 VanDerWaalsContact CG-OG 3.23Å; L431-S435 WeakPolarHBondContact CG-OG 3.2Å; P432-S435 WeakPolarHBondContact CD-OG 3.49Å; P432-S435 WeakPolarHBondContact CG-OG 3.41Å; P432-S435 PolarHBondContact O-N 3.31Å; P432-S435 PolarHBondContact O-OG 3.48Å; S435-Y437 PolarHBondContact O-N 3.14Å; S435-S438 PolarHBondContact O-N 3.5Å; S435-S438 PolarHBondContact O-OG 3.34Å; S435-S438 VanDerWaalsContact O-OG 3.13Å
436	I	48.2	Very low	63.8	Low	69 Å²	69	74.3 Å²	74.3	35%	0.354	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.4	172.2	-61	177	0	0	0	111.1	L431 S438	L431-I436 HydrophobicContact CD2-CG1 4.27Å; I436-S438 VanDerWaalsContact C-N 3.34Å; I436-S438 PolarHBondContact O-N 2.98Å
437	Y	49.6	Very low	66.7	Low	213 Å²	213	67 Å²	67	84%	0.835	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.5	-177.1	-69	-78.1	0	0	0	114.6	S435	S435-Y437 PolarHBondContact O-N 3.14Å
438	S	64.7	Low	69.6	Low	70 Å²	70	62.6 Å²	62.6	49%	0.49	34%	0.339	S	S	.	.	S	Bend	trans	-96.1	119.3	169.2	51.2	0	0	0	0	109.5	S435 I436	S435-S438 PolarHBondContact O-N 3.5Å; S435-S438 PolarHBondContact O-OG 3.34Å; S435-S438 VanDerWaalsContact O-OG 3.13Å; I436-S438 VanDerWaalsContact C-N 3.34Å; I436-S438 PolarHBondContact O-N 2.98Å
439	A	75.8	Confident	71.8	Confident	24 Å²	24	59.2 Å²	59.2	20%	0.198	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-56.4	124.6	177.4	0	0	0	0	0	110.4	G469 G470	A439-G469 VanDerWaalsContact O-CA 3.22Å; A439-G469 WeakPolarHBondContact O-CA 3.41Å; A439-G470 VanDerWaalsContact CB-CA 3.43Å; A439-G470 VanDerWaalsContact CB-N 3.26Å
440	P	86.8	Confident	73.9	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.019	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-75	147.4	-169.1	30.4	-36.3	0	0	0	112	L503 N504 P605 I606 T636	P440-L503 HydrophobicContact CB-CD2 4.09Å; P440-L503 HydrophobicContact CB-CG 4.37Å; P440-N504 WeakPolarHBondContact CA-OD1 3.28Å; P440-N504 WeakPolarHBondContact CB-OD1 3.3Å; P440-P605 HydrophobicContact CG-CB 4.41Å; P440-I606 HydrophobicContact CG-CD1 3.71Å; P440-I606 HydrophobicContact CG-CG1 3.46Å; P440-I606 VanDerWaalsContact CG-CG1 3.46Å; P440-T636 WeakPolarHBondContact O-CB 3.29Å; P440-T636 PolarHBondContact O-OG1 3.14Å
441	S	91.6	Very high	75.7	Confident	28 Å²	28	50.6 Å²	50.6	20%	0.196	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-85.7	149.6	169.5	63.6	0	0	0	0	111.2	L467 L503 N504	S441-L467 VanDerWaalsContact CA-O 3.31Å; S441-L467 WeakPolarHBondContact CA-O 2.89Å; S441-L467 WeakPolarHBondContact CB-O 3.44Å; S441-L503 WeakPolarHBondContact O-CA 3.3Å; S441-N504 PolarHBondContact N-OD1 3.29Å; S441-N504 PolarHBondContact O-N 2.99Å; S441-N504 PolarHBondContact OG-OD1 2.92Å
442	I	94.4	Very high	77.3	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.4	178	-56.7	174.9	0	0	0	108.2	F444 L467 L490 I501 L502 I606	I442-F444 HydrophobicContact CG2-CD2 4.29Å; I442-F444 HydrophobicContact CG2-CE2 3.86Å; I442-L467 HydrophobicContact CB-CB 4.1Å; I442-L467 HydrophobicContact CB-CD1 4.19Å; I442-L467 HydrophobicContact CB-CD2 4.38Å; I442-L467 HydrophobicContact CB-CG 4.47Å; I442-L467 HydrophobicContact CD1-CD2 4.44Å; I442-L467 HydrophobicContact CG2-CD1 4.26Å; I442-L467 PolarHBondContact N-O 2.82Å; I442-L467 PolarHBondContact O-N 3.47Å; I442-L490 HydrophobicContact CD1-CD1 4.5Å; I442-L490 HydrophobicContact CD1-CD2 4.26Å; I442-L490 HydrophobicContact CG2-CD2 3.57Å; I442-I501 HydrophobicContact CG2-CG2 4.34Å; I442-L502 CarbonylContact C-O 3.57Å; I442-L502 WeakPolarHBondContact CA-O 3.35Å; I442-I606 HydrophobicContact CD1-CD1 3.95Å; I442-I606 HydrophobicContact CD1-CG1 4.3Å; I442-I606 HydrophobicContact CD1-CG2 3.82Å; I442-I606 HydrophobicContact CG1-CD1 4.35Å
443	E	94.9	Very high	79.2	Confident	73 Å²	73	53.5 Å²	53.5	34%	0.341	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.8	178.2	-168.9	179.1	165.8	0	0	110	M465 F466 I501 L502	E443-M465 CarbonylContact C-O 3.6Å; E443-M465 WeakPolarHBondContact CA-O 3.45Å; E443-F466 HydrophobicContact CB-CD2 4.08Å; E443-F466 HydrophobicContact CG-CD2 4.17Å; E443-I501 CarbonylContact O-C 3.54Å; E443-I501 VanDerWaalsContact O-CA 3.28Å; E443-I501 WeakPolarHBondContact O-CA 3.33Å; E443-L502 HydrophobicContact CB-CB 4.16Å; E443-L502 PolarHBondContact N-O 3.13Å; E443-L502 PolarHBondContact O-N 2.52Å
444	F	96.1	Very high	81.1	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.1	167.5	-69.8	-110.6	0	0	0	106.8	I442 V447 L463 S464 M465 L467 V486 L490 I501	I442-F444 HydrophobicContact CG2-CD2 4.29Å; I442-F444 HydrophobicContact CG2-CE2 3.86Å; F444-V447 HydrophobicContact CB-CG2 4.06Å; F444-V447 HydrophobicContact CD1-CB 4.23Å; F444-V447 HydrophobicContact CD1-CG1 4.44Å; F444-V447 HydrophobicContact CD1-CG2 3.9Å; F444-V447 HydrophobicContact CG-CG2 4.46Å; F444-L463 HydrophobicContact CD1-CD2 4.12Å; F444-S464 CarbonylContact O-C 3.59Å; F444-S464 VanDerWaalsContact O-CA 3.26Å; F444-S464 WeakPolarHBondContact O-CA 3.45Å; F444-M465 HydrophobicContact CB-CG 3.79Å; F444-M465 HydrophobicContact CD2-CG 3.59Å; F444-M465 HydrophobicContact CD2-SD 4.21Å; F444-M465 HydrophobicContact CE2-CG 4.41Å; F444-M465 HydrophobicContact CG-CG 3.86Å; F444-M465 PolarHBondContact N-O 3.21Å; F444-M465 PolarHBondContact O-N 3.34Å; F444-L467 HydrophobicContact CD2-CD1 4.29Å; F444-L467 HydrophobicContact CE2-CD1 4.3Å; F444-V486 HydrophobicContact CE1-CG1 4.09Å; F444-V486 HydrophobicContact CE2-CG1 4.09Å; F444-V486 HydrophobicContact CZ-CG1 3.52Å; F444-L490 HydrophobicContact CE2-CD1 4.39Å; F444-L490 HydrophobicContact CE2-CD2 3.82Å; F444-L490 HydrophobicContact CE2-CG 4.27Å; F444-L490 HydrophobicContact CZ-CD1 4.18Å; F444-L490 HydrophobicContact CZ-CD2 3.6Å; F444-L490 HydrophobicContact CZ-CG 3.75Å; F444-I501 HydrophobicContact CD1-CD1 3.97Å; F444-I501 HydrophobicContact CD1-CG1 3.74Å; F444-I501 HydrophobicContact CE1-CD1 3.52Å; F444-I501 HydrophobicContact CE1-CG1 3.8Å; F444-I501 HydrophobicContact CE1-CG2 4.46Å; F444-I501 HydrophobicContact CE2-CG2 4.42Å; F444-I501 HydrophobicContact CG-CG1 4.36Å; F444-I501 HydrophobicContact CZ-CD1 4.17Å; F444-I501 HydrophobicContact CZ-CG1 4.48Å; F444-I501 HydrophobicContact CZ-CG2 4.33Å
445	S	94.2	Very high	83.3	Confident	32 Å²	32	56.2 Å²	56.2	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	104.9	179.2	-49.2	0	0	0	0	109.2	V447 G499 E500	S445-V447 VanDerWaalsContact C-N 3.27Å; S445-V447 PolarHBondContact O-N 2.97Å; S445-G499 CarbonylContact O-C 3.57Å; S445-G499 WeakPolarHBondContact O-CA 3.18Å; S445-E500 PolarHBondContact N-O 3.23Å; S445-E500 PolarHBondContact O-N 3.02Å
446	D	94.7	Very high	85.4	Confident	97 Å²	97	61.3 Å²	61.3	52%	0.519	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.4	43.8	175.9	-55.8	-40.5	0	0	0	113.9	K448 L463 S464 G499	D446-K448 PolarHBondContact O-N 3.49Å; D446-L463 PolarHBondContact N-O 2.96Å; D446-S464 PolarHBondContact N-OG 2.98Å; D446-S464 PolarHBondContact OD1-OG 3.34Å; D446-G499 WeakPolarHBondContact O-CA 3.34Å
447	V	94.2	Very high	87.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.7	-173	172.6	0	0	0	0	111.3	F444 S445 L460 E462 L463 L489 P496 S498 E500 I501	F444-V447 HydrophobicContact CB-CG2 4.06Å; F444-V447 HydrophobicContact CD1-CB 4.23Å; F444-V447 HydrophobicContact CD1-CG1 4.44Å; F444-V447 HydrophobicContact CD1-CG2 3.9Å; F444-V447 HydrophobicContact CG-CG2 4.46Å; S445-V447 VanDerWaalsContact C-N 3.27Å; S445-V447 PolarHBondContact O-N 2.97Å; V447-L460 HydrophobicContact CG1-CD1 4.44Å; V447-E462 PolarHBondContact O-N 3.03Å; V447-E462 VanDerWaalsContact O-N 3.13Å; V447-L463 HydrophobicContact CB-CB 4.4Å; V447-L463 PolarHBondContact N-O 3.13Å; V447-L463 PolarHBondContact O-N 3.04Å; V447-L489 HydrophobicContact CG1-CD1 4.06Å; V447-P496 HydrophobicContact CG1-CB 3.72Å; V447-S498 WeakPolarHBondContact CA-O 3.32Å; V447-E500 WeakPolarHBondContact CG2-O 3.45Å; V447-I501 HydrophobicContact CG2-CG1 3.97Å
448	K	94.2	Very high	89.4	Confident	65 Å²	65	55 Å²	55	28%	0.283	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.9	171.7	-163.8	172.7	-175.1	165.7	0	110.3	D446 I458 L460 I497 S498	D446-K448 PolarHBondContact O-N 3.49Å; K448-I458 HydrophobicContact CG-CG2 4.29Å; K448-L460 WeakPolarHBondContact CA-O 3.22Å; K448-I497 PolarHBondContact O-N 2.8Å; K448-S498 WeakPolarHBondContact CB-OG 3.3Å; K448-S498 PolarHBondContact N-O 3.44Å; K448-S498 PolarHBondContact O-N 3.42Å
449	F	94.4	Very high	90.7	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.1	-177.5	-179.2	-100.2	0	0	0	113.4	Y451 V459 L460 T485 L489 Y494	F449-Y451 AromaticContact CE1-CD1 3.83Å; F449-Y451 HydrophobicContact CE1-CD1 3.83Å; F449-Y451 AromaticContact CE1-CD2 3.91Å; F449-Y451 HydrophobicContact CE1-CD2 3.91Å; F449-Y451 AromaticContact CE1-CE1 3.87Å; F449-Y451 HydrophobicContact CE1-CE1 3.87Å; F449-Y451 AromaticContact CE1-CE2 3.94Å; F449-Y451 HydrophobicContact CE1-CE2 3.94Å; F449-Y451 AromaticContact CE1-CG 3.84Å; F449-Y451 HydrophobicContact CE1-CG 3.84Å; F449-Y451 AromaticContact CE1-CZ 3.91Å; F449-Y451 AromaticContact CZ-CD1 3.97Å; F449-Y451 HydrophobicContact CZ-CD1 3.97Å; F449-Y451 HydrophobicContact CZ-CE1 4.19Å; F449-Y451 HydrophobicContact CZ-CG 4.26Å; F449-V459 PolarHBondContact O-N 2.69Å; F449-L460 HydrophobicContact CB-CB 4.13Å; F449-L460 HydrophobicContact CB-CD1 4.25Å; F449-L460 HydrophobicContact CB-CG 4.35Å; F449-L460 PolarHBondContact N-O 2.79Å; F449-L460 PolarHBondContact O-N 2.84Å; F449-T485 HydrophobicContact CD1-CG2 3.32Å; F449-T485 HydrophobicContact CE1-CG2 3.56Å; F449-T485 HydrophobicContact CG-CG2 4.34Å; F449-L489 HydrophobicContact CB-CD1 4.12Å; F449-L489 HydrophobicContact CD2-CD2 3.73Å; F449-L489 HydrophobicContact CE2-CD2 3.9Å; F449-L489 HydrophobicContact CG-CD1 4.2Å; F449-L489 HydrophobicContact CG-CD2 4.09Å; F449-L489 HydrophobicContact CZ-CD2 4.4Å; F449-Y494 VanDerWaalsContact CE2-CB 3.44Å; F449-Y494 HydrophobicContact CE2-CG 4.08Å; F449-Y494 HydrophobicContact CZ-CD1 4.16Å; F449-Y494 HydrophobicContact CZ-CD2 4.06Å; F449-Y494 AromaticContact CZ-CG 3.66Å; F449-Y494 HydrophobicContact CZ-CG 3.66Å
450	V	92.4	Very high	91.5	Very high	18 Å²	18	51.8 Å²	51.8	11%	0.109	27%	0.27	C	S	.	.			trans	-136.5	137	174.9	-179.9	0	0	0	0	107.8	R454 P455 T457 I458 I497	V450-R454 WeakPolarHBondContact CG1-O 3.47Å; V450-P455 VanDerWaalsContact CG1-CA 3.44Å; V450-T457 WeakPolarHBondContact CG1-O 3.45Å; V450-I458 HydrophobicContact CG2-CB 4.48Å; V450-I458 HydrophobicContact CG2-CG1 4.07Å; V450-I497 HydrophobicContact CB-CD1 3.65Å; V450-I497 HydrophobicContact CG2-CD1 3.68Å
451	Y	91.6	Very high	91.8	Very high	43 Å²	43	54 Å²	54	17%	0.169	28%	0.281	C	S	.	.			trans	-70	135.8	172.7	-74.9	-81.7	0	0	0	110.3	F449 N453 R454 V459 T485 Y494	F449-Y451 AromaticContact CE1-CD1 3.83Å; F449-Y451 HydrophobicContact CE1-CD1 3.83Å; F449-Y451 AromaticContact CE1-CD2 3.91Å; F449-Y451 HydrophobicContact CE1-CD2 3.91Å; F449-Y451 AromaticContact CE1-CE1 3.87Å; F449-Y451 HydrophobicContact CE1-CE1 3.87Å; F449-Y451 AromaticContact CE1-CE2 3.94Å; F449-Y451 HydrophobicContact CE1-CE2 3.94Å; F449-Y451 AromaticContact CE1-CG 3.84Å; F449-Y451 HydrophobicContact CE1-CG 3.84Å; F449-Y451 AromaticContact CE1-CZ 3.91Å; F449-Y451 AromaticContact CZ-CD1 3.97Å; F449-Y451 HydrophobicContact CZ-CD1 3.97Å; F449-Y451 HydrophobicContact CZ-CE1 4.19Å; F449-Y451 HydrophobicContact CZ-CG 4.26Å; Y451-N453 VanDerWaalsContact CB-OD1 3.27Å; Y451-N453 WeakPolarHBondContact CB-OD1 3.45Å; Y451-N453 PolarHBondContact O-N 3.2Å; Y451-R454 CarbonylContact O-C 3.57Å; Y451-R454 VanDerWaalsContact O-C 3.28Å; Y451-R454 PolarHBondContact O-N 3.49Å; Y451-V459 HydrophobicContact CD2-CG2 3.83Å; Y451-V459 HydrophobicContact CE2-CG1 4.34Å; Y451-V459 HydrophobicContact CE2-CG2 4.09Å; Y451-T485 HydrophobicContact CE2-CG2 4.01Å; Y451-T485 WeakPolarHBondContact CE2-OG1 3.45Å; Y451-T485 WeakPolarHBondContact OH-CA 3.43Å; Y451-T485 WeakPolarHBondContact OH-CB 3.36Å; Y451-T485 PolarHBondContact OH-OG1 3.45Å; Y451-Y494 HydrophobicContact CD1-CE1 4.15Å; Y451-Y494 HydrophobicContact CD1-CE2 4.17Å; Y451-Y494 AromaticContact CD1-CZ 3.92Å; Y451-Y494 HydrophobicContact CE1-CD2 4.14Å; Y451-Y494 HydrophobicContact CE1-CE1 4.44Å; Y451-Y494 AromaticContact CE1-CE2 3.64Å; Y451-Y494 HydrophobicContact CE1-CE2 3.64Å; Y451-Y494 AromaticContact CE1-CZ 3.8Å
452	P	85.9	Confident	91.8	Very high	86 Å²	86	58.1 Å²	58.1	56%	0.558	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.4	-178.7	-27.4	35.2	0	0	0	114.7	A194 R454 Y494	A194-P452 HydrophobicContact CB-CG 4.14Å; P452-R454 VanDerWaalsContact C-N 3.35Å; P452-Y494 HydrophobicContact CG-CD1 4.48Å
453	N	85.4	Confident	91.8	Very high	69 Å²	69	57.9 Å²	57.9	37%	0.369	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.4	178.1	65.6	0.3	0	0	0	114	V198 Y451	V198-N453 HydrophobicContact CG2-CB 4.13Å; Y451-N453 VanDerWaalsContact CB-OD1 3.27Å; Y451-N453 WeakPolarHBondContact CB-OD1 3.45Å; Y451-N453 PolarHBondContact O-N 3.2Å
454	R	88.6	Confident	91.7	Very high	153 Å²	153	57.2 Å²	57.2	58%	0.577	30%	0.3	S	S	*	.			trans	-141.7	63.9	179.1	-64.1	-177.8	-174.1	164.8	2.6	110.8	V450 Y451 P452 E456 T457	V450-R454 WeakPolarHBondContact CG1-O 3.47Å; Y451-R454 CarbonylContact O-C 3.57Å; Y451-R454 VanDerWaalsContact O-C 3.28Å; Y451-R454 PolarHBondContact O-N 3.49Å; P452-R454 VanDerWaalsContact C-N 3.35Å; R454-E456 PolarHBondContact O-N 2.87Å; R454-E456 VanDerWaalsContact O-N 3.09Å; R454-T457 WeakPolarHBondContact CB-OG1 3.4Å; R454-T457 PolarHBondContact O-N 2.91Å; R454-T457 VanDerWaalsContact O-N 3.16Å; R454-T457 PolarHBondContact O-OG1 3.49Å
455	P	86.6	Confident	91.7	Very high	96 Å²	96	57.7 Å²	57.7	62%	0.623	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.3	-175	25.1	-35.4	0	0	0	114.3	V450	V450-P455 VanDerWaalsContact CG1-CA 3.44Å
456	E	89.3	Confident	91.6	Very high	138 Å²	138	61 Å²	61	65%	0.645	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.5	-178.9	66.8	-70.8	164.7	0	0	114.4	R454	R454-E456 PolarHBondContact O-N 2.87Å; R454-E456 VanDerWaalsContact O-N 3.09Å
457	T	89.6	Confident	91.6	Very high	61 Å²	61	56.4 Å²	56.4	37%	0.374	29%	0.288	S	S	.	.			trans	-108	108.1	-176.9	57.1	0	0	0	0	112.2	V450 R454 V459	V450-T457 WeakPolarHBondContact CG1-O 3.45Å; R454-T457 WeakPolarHBondContact CB-OG1 3.4Å; R454-T457 PolarHBondContact O-N 2.91Å; R454-T457 VanDerWaalsContact O-N 3.16Å; R454-T457 PolarHBondContact O-OG1 3.49Å; T457-V459 PolarHBondContact O-N 3.22Å
458	I	91.5	Very high	91.5	Very high	88 Å²	88	58.3 Å²	58.3	45%	0.451	30%	0.301	S	S	.	.			trans	-71.9	116.1	170.4	-58.9	167.4	0	0	0	108.7	K448 V450 L460 N461	K448-I458 HydrophobicContact CG-CG2 4.29Å; V450-I458 HydrophobicContact CG2-CB 4.48Å; V450-I458 HydrophobicContact CG2-CG1 4.07Å; I458-L460 WeakPolarHBondContact CG2-O 3.46Å; I458-N461 HydrophobicContact CG2-CB 3.84Å
459	V	92.4	Very high	91.4	Very high	27 Å²	27	56.8 Å²	56.8	16%	0.164	30%	0.304	C	S	.	.	S	Bend	trans	-92.4	-40.4	-178	-178.7	0	0	0	0	111.4	F449 Y451 T457 T485 G659	F449-V459 PolarHBondContact O-N 2.69Å; Y451-V459 HydrophobicContact CD2-CG2 3.83Å; Y451-V459 HydrophobicContact CE2-CG1 4.34Å; Y451-V459 HydrophobicContact CE2-CG2 4.09Å; T457-V459 PolarHBondContact O-N 3.22Å; V459-T485 HydrophobicContact CG1-CG2 4Å; V459-T485 VanDerWaalsContact CG1-OG1 3.27Å; V459-T485 WeakPolarHBondContact CG1-OG1 3.37Å; V459-G659 WeakPolarHBondContact O-CA 3.44Å
460	L	92.9	Very high	91.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.3	171.3	-56.9	-179.2	0	0	0	108.3	V447 K448 F449 I458 L463 T485 V486 L489 M656	V447-L460 HydrophobicContact CG1-CD1 4.44Å; K448-L460 WeakPolarHBondContact CA-O 3.22Å; F449-L460 HydrophobicContact CB-CB 4.13Å; F449-L460 HydrophobicContact CB-CD1 4.25Å; F449-L460 HydrophobicContact CB-CG 4.35Å; F449-L460 PolarHBondContact N-O 2.79Å; F449-L460 PolarHBondContact O-N 2.84Å; I458-L460 WeakPolarHBondContact CG2-O 3.46Å; L460-L463 HydrophobicContact CB-CB 4.43Å; L460-L463 HydrophobicContact CD1-CD2 4.1Å; L460-L463 HydrophobicContact CD2-CD2 4.2Å; L460-T485 HydrophobicContact CD1-CG2 4.07Å; L460-T485 HydrophobicContact CG-CG2 4.13Å; L460-V486 HydrophobicContact CD1-CG2 4.43Å; L460-V486 HydrophobicContact CD2-CG2 4.31Å; L460-L489 HydrophobicContact CD1-CD1 3.44Å; L460-L489 VanDerWaalsContact CD1-CD1 3.44Å; L460-M656 HydrophobicContact CD2-SD 4.25Å
461	N	92.4	Very high	91.2	Very high	49 Å²	49	62 Å²	62	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	96.6	-173.7	-173.4	50.2	0	0	0	110.3	I458 L463 G659 Q660	I458-N461 HydrophobicContact CG2-CB 3.84Å; N461-L463 VanDerWaalsContact C-N 3.28Å; N461-L463 PolarHBondContact O-N 3.33Å; N461-G659 PolarHBondContact N-O 3.2Å; N461-G659 VanDerWaalsContact N-O 3.13Å; N461-Q660 HydrophobicContact CB-CG 4.42Å; N461-Q660 PolarHBondContact ND2-NE2 2.76Å; N461-Q660 VanDerWaalsContact ND2-NE2 3.14Å; N461-Q660 WeakPolarHBondContact O-CG 3.35Å; N461-Q660 PolarHBondContact O-NE2 3.15Å
462	E	92	Very high	91.3	Very high	115 Å²	115	61.3 Å²	61.3	54%	0.537	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.3	45.4	-178.2	-61.8	168.8	-173.3	0	0	111.5	V447 S464	V447-E462 PolarHBondContact O-N 3.03Å; V447-E462 VanDerWaalsContact O-N 3.13Å; E462-S464 PolarHBondContact O-N 2.95Å
463	L	93.4	Very high	91.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.8	179.3	-177.7	76.6	0	0	0	109.8	F444 D446 V447 L460 N461 M465 V486 M656 I661	F444-L463 HydrophobicContact CD1-CD2 4.12Å; D446-L463 PolarHBondContact N-O 2.96Å; V447-L463 HydrophobicContact CB-CB 4.4Å; V447-L463 PolarHBondContact N-O 3.13Å; V447-L463 PolarHBondContact O-N 3.04Å; L460-L463 HydrophobicContact CB-CB 4.43Å; L460-L463 HydrophobicContact CD1-CD2 4.1Å; L460-L463 HydrophobicContact CD2-CD2 4.2Å; N461-L463 VanDerWaalsContact C-N 3.28Å; N461-L463 PolarHBondContact O-N 3.33Å; L463-M465 HydrophobicContact CD2-SD 4.02Å; L463-M465 HydrophobicContact CG-SD 4.39Å; L463-V486 HydrophobicContact CD2-CG2 3.94Å; L463-M656 HydrophobicContact CD1-SD 4.03Å; L463-I661 HydrophobicContact CD1-CD1 3.88Å; L463-I661 HydrophobicContact CD1-CG1 3.72Å
464	S	94.3	Very high	92	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.6	173.4	-79.5	0	0	0	0	110.9	F444 D446 E462	F444-S464 CarbonylContact O-C 3.59Å; F444-S464 VanDerWaalsContact O-CA 3.26Å; F444-S464 WeakPolarHBondContact O-CA 3.45Å; D446-S464 PolarHBondContact N-OG 2.98Å; D446-S464 PolarHBondContact OD1-OG 3.34Å; E462-S464 PolarHBondContact O-N 2.95Å
465	M	94.6	Very high	92.2	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	147.5	179.4	61	-175.6	-82.8	0	0	112.5	E443 F444 L463 L467 L654 I661	E443-M465 CarbonylContact C-O 3.6Å; E443-M465 WeakPolarHBondContact CA-O 3.45Å; F444-M465 HydrophobicContact CB-CG 3.79Å; F444-M465 HydrophobicContact CD2-CG 3.59Å; F444-M465 HydrophobicContact CD2-SD 4.21Å; F444-M465 HydrophobicContact CE2-CG 4.41Å; F444-M465 HydrophobicContact CG-CG 3.86Å; F444-M465 PolarHBondContact N-O 3.21Å; F444-M465 PolarHBondContact O-N 3.34Å; L463-M465 HydrophobicContact CD2-SD 4.02Å; L463-M465 HydrophobicContact CG-SD 4.39Å; M465-L467 HydrophobicContact CE-CD1 3.41Å; M465-L467 VanDerWaalsContact CE-CD1 3.41Å; M465-L467 HydrophobicContact CE-CD2 4.45Å; M465-L467 HydrophobicContact CE-CG 4.08Å; M465-L467 HydrophobicContact CG-CD1 4.23Å; M465-L654 HydrophobicContact CB-CD1 4.21Å; M465-L654 HydrophobicContact CE-CD1 3.25Å; M465-L654 HydrophobicContact SD-CD1 4.25Å; M465-I661 HydrophobicContact CB-CG1 4.08Å; M465-I661 HydrophobicContact SD-CD1 4.26Å; M465-I661 HydrophobicContact SD-CG1 4.49Å
466	F	93.7	Very high	92.4	Very high	102 Å²	102	42.7 Å²	42.7	45%	0.447	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.7	177.5	178.9	-105.3	0	0	0	110.1	E443 P468	E443-F466 HydrophobicContact CB-CD2 4.08Å; E443-F466 HydrophobicContact CG-CD2 4.17Å; F466-P468 HydrophobicContact CD1-CG 3.99Å; F466-P468 HydrophobicContact CE1-CB 4.06Å; F466-P468 HydrophobicContact CE1-CG 3.84Å
467	L	94.1	Very high	92.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	106	175.1	-62.4	73.4	0	0	0	107.7	S441 I442 F444 M465 I473 L638	S441-L467 VanDerWaalsContact CA-O 3.31Å; S441-L467 WeakPolarHBondContact CA-O 2.89Å; S441-L467 WeakPolarHBondContact CB-O 3.44Å; I442-L467 HydrophobicContact CB-CB 4.1Å; I442-L467 HydrophobicContact CB-CD1 4.19Å; I442-L467 HydrophobicContact CB-CD2 4.38Å; I442-L467 HydrophobicContact CB-CG 4.47Å; I442-L467 HydrophobicContact CD1-CD2 4.44Å; I442-L467 HydrophobicContact CG2-CD1 4.26Å; I442-L467 PolarHBondContact N-O 2.82Å; I442-L467 PolarHBondContact O-N 3.47Å; F444-L467 HydrophobicContact CD2-CD1 4.29Å; F444-L467 HydrophobicContact CE2-CD1 4.3Å; M465-L467 HydrophobicContact CE-CD1 3.41Å; M465-L467 VanDerWaalsContact CE-CD1 3.41Å; M465-L467 HydrophobicContact CE-CD2 4.45Å; M465-L467 HydrophobicContact CE-CG 4.08Å; M465-L467 HydrophobicContact CG-CD1 4.23Å; L467-I473 HydrophobicContact CB-CD1 3.95Å; L467-I473 HydrophobicContact CB-CG1 4.34Å; L467-I473 HydrophobicContact CD2-CD1 4.48Å; L467-I473 HydrophobicContact CG-CD1 4.35Å; L467-I473 HydrophobicContact CG-CG1 4.4Å; L467-L638 HydrophobicContact CD2-CB 4.09Å; L467-L638 HydrophobicContact CD2-CD1 3.99Å; L467-L638 HydrophobicContact CD2-CD2 4.26Å; L467-L638 HydrophobicContact CD2-CG 4.33Å
468	P	92.7	Very high	92.2	Very high	40 Å²	40	37.9 Å²	37.9	26%	0.26	21%	0.213	S	C	.	.			trans	-61.7	144.2	177.5	-19.8	31	0	0	0	111.7	F466 G470 K471	F466-P468 HydrophobicContact CD1-CG 3.99Å; F466-P468 HydrophobicContact CE1-CB 4.06Å; F466-P468 HydrophobicContact CE1-CG 3.84Å; P468-G470 PolarHBondContact O-N 3.35Å; P468-K471 HydrophobicContact CB-CB 4.33Å; P468-K471 HydrophobicContact CB-CG 3.97Å
469	G	91.4	Very high	91.9	Very high	33 Å²	33	39.1 Å²	39.1	34%	0.34	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	133.9	176	0	0	0	0	0	112.6	A439 K471 T636	A439-G469 VanDerWaalsContact O-CA 3.22Å; A439-G469 WeakPolarHBondContact O-CA 3.41Å; G469-K471 VanDerWaalsContact C-N 3.27Å; G469-K471 PolarHBondContact O-N 3.11Å; G469-T636 WeakPolarHBondContact CA-OG1 3.3Å
470	G	90.3	Very high	91.5	Very high	37 Å²	37	41.3 Å²	41.3	38%	0.381	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	12.6	173.1	0	0	0	0	0	115.3	A439 P468 R635 T636	A439-G470 VanDerWaalsContact CB-CA 3.43Å; A439-G470 VanDerWaalsContact CB-N 3.26Å; P468-G470 PolarHBondContact O-N 3.35Å; G470-R635 CarbonylContact C-O 2.97Å; G470-R635 WeakPolarHBondContact CA-O 3.48Å; G470-T636 PolarHBondContact N-OG1 3.34Å
471	K	92.4	Very high	91.2	Very high	95 Å²	95	41.6 Å²	41.6	41%	0.413	26%	0.259	S	S	.	.			trans	-105.7	159.8	177.6	-67	-62.8	-170.8	173.2	0	111.7	P468 G469 I473 V637 D651	P468-K471 HydrophobicContact CB-CB 4.33Å; P468-K471 HydrophobicContact CB-CG 3.97Å; G469-K471 VanDerWaalsContact C-N 3.27Å; G469-K471 PolarHBondContact O-N 3.11Å; K471-I473 HydrophobicContact CB-CD1 4.21Å; K471-I473 WeakPolarHBondContact O-CD1 3.5Å; K471-V637 PolarHBondContact O-N 3.26Å; K471-D651 HydrophobicContact CB-CB 4.27Å; K471-D651 HydrophobicContact CD-CB 3.99Å; K471-D651 WeakPolarHBondContact CD-OD2 3.21Å; K471-D651 IonicContact NZ-OD1 2.61Å
472	V	92.7	Very high	91.1	Very high	27 Å²	27	39.5 Å²	39.5	16%	0.164	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.7	172.6	-177	0	0	0	0	109.5	M632 V637 I639 A650 D651 L652	V472-M632 HydrophobicContact CG1-SD 4.25Å; V472-M632 HydrophobicContact CG2-SD 4.35Å; V472-V637 HydrophobicContact CB-CB 4.48Å; V472-V637 HydrophobicContact CG1-CB 4.34Å; V472-V637 HydrophobicContact CG1-CG1 4.44Å; V472-V637 HydrophobicContact CG2-CB 4.22Å; V472-V637 HydrophobicContact CG2-CG2 4.25Å; V472-I639 HydrophobicContact CG1-CD1 3.6Å; V472-I639 HydrophobicContact CG1-CG1 4.21Å; V472-A650 HydrophobicContact CG1-CB 4.47Å; V472-D651 PolarHBondContact N-OD2 3.34Å; V472-D651 PolarHBondContact O-N 2.73Å; V472-L652 PolarHBondContact O-N 3.27Å
473	I	94.3	Very high	91.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.5	-178.4	-56.1	91.3	0	0	0	109.3	L467 K471 T636 V637 L638 I639 L652 L654	L467-I473 HydrophobicContact CB-CD1 3.95Å; L467-I473 HydrophobicContact CB-CG1 4.34Å; L467-I473 HydrophobicContact CD2-CD1 4.48Å; L467-I473 HydrophobicContact CG-CD1 4.35Å; L467-I473 HydrophobicContact CG-CG1 4.4Å; K471-I473 HydrophobicContact CB-CD1 4.21Å; K471-I473 WeakPolarHBondContact O-CD1 3.5Å; I473-T636 HydrophobicContact CD1-CG2 4.39Å; I473-V637 WeakPolarHBondContact CD1-O 3.37Å; I473-V637 PolarHBondContact N-O 3.44Å; I473-L638 HydrophobicContact CB-CD1 4.36Å; I473-L638 HydrophobicContact CG2-CD1 4.2Å; I473-L638 WeakPolarHBondContact O-CA 3.33Å; I473-I639 PolarHBondContact O-N 3.11Å; I473-L652 CarbonylContact C-O 3.52Å; I473-L652 VanDerWaalsContact CA-O 3.29Å; I473-L652 WeakPolarHBondContact CA-O 3.35Å; I473-L652 HydrophobicContact CG1-CB 4.33Å; I473-L652 HydrophobicContact CG1-CD2 4.45Å; I473-L654 HydrophobicContact CG2-CD1 3.67Å; I473-L654 HydrophobicContact CG2-CG 3.88Å
474	A	92.7	Very high	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.1	172.4	0	0	0	0	0	110.8	V476 I639 A650 L652 I653 L654	A474-V476 HydrophobicContact CB-CG2 4.43Å; A474-I639 CarbonylContact C-O 3.57Å; A474-I639 WeakPolarHBondContact CA-O 3.37Å; A474-A650 HydrophobicContact CB-CB 3.57Å; A474-L652 PolarHBondContact N-O 3.43Å; A474-I653 HydrophobicContact CB-CG1 4.39Å; A474-I653 CarbonylContact O-C 3.56Å; A474-I653 WeakPolarHBondContact O-CA 3.39Å; A474-L654 PolarHBondContact O-N 2.86Å
475	L	93.1	Very high	90.9	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.9	171.8	-172.1	66.6	0	0	0	109.3	K483 V486 L638 I639 A641 L654 M656 I661	L475-K483 HydrophobicContact CD2-CB 4.09Å; L475-K483 HydrophobicContact CD2-CG 4.28Å; L475-K483 HydrophobicContact CG-CG 4.35Å; L475-V486 HydrophobicContact CD2-CB 4.25Å; L475-V486 HydrophobicContact CD2-CG2 4.05Å; L475-L638 HydrophobicContact CB-CD1 4.09Å; L475-I639 PolarHBondContact N-O 3.12Å; L475-A641 PolarHBondContact O-N 3.17Å; L475-L654 WeakPolarHBondContact CA-O 3.45Å; L475-L654 HydrophobicContact CD1-CB 3.96Å; L475-M656 HydrophobicContact CD1-CB 4.11Å; L475-M656 HydrophobicContact CD1-CE 4.47Å; L475-M656 HydrophobicContact CD2-CE 4.01Å; L475-M656 HydrophobicContact CG-CE 4.41Å; L475-I661 HydrophobicContact CD1-CD1 4.02Å
476	V	90.1	Very high	90.9	Very high	13 Å²	13	34.4 Å²	34.4	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.4	-174.1	-176	0	0	0	0	109.6	A474 V647 I653 L654 V655 M656 L680	A474-V476 HydrophobicContact CB-CG2 4.43Å; V476-V647 HydrophobicContact CG2-CB 4.46Å; V476-V647 HydrophobicContact CG2-CG1 3.94Å; V476-V647 HydrophobicContact CG2-CG2 3.56Å; V476-I653 HydrophobicContact CG2-CG2 4.01Å; V476-L654 PolarHBondContact N-O 3.1Å; V476-V655 CarbonylContact O-C 3.58Å; V476-V655 WeakPolarHBondContact O-CA 3.33Å; V476-M656 PolarHBondContact O-N 3.01Å; V476-L680 HydrophobicContact CG1-CD1 3.92Å
477	G	88.7	Confident	90.9	Very high	6 Å²	6	29.7 Å²	29.7	6%	0.062	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	168.3	178.1	0	0	0	0	0	112.2	K483 M656	G477-K483 PolarHBondContact O-NZ 2.95Å; G477-M656 VanDerWaalsContact CA-O 3.28Å; G477-M656 WeakPolarHBondContact CA-O 3.2Å
478	Q	86.7	Confident	90.9	Very high	93 Å²	93	30.7 Å²	30.7	44%	0.435	21%	0.212	S	C	.	.			trans	-60.4	162.3	176.5	-69.7	-178.4	15.5	0	0	112.1	A481 K483 Y676 L680	Q478-A481 WeakPolarHBondContact O-CB 3.46Å; Q478-A481 PolarHBondContact O-N 3.04Å; Q478-K483 PolarHBondContact O-NZ 3.34Å; Q478-Y676 VanDerWaalsContact CG-OH 3.25Å; Q478-Y676 WeakPolarHBondContact CG-OH 3.3Å; Q478-Y676 PolarHBondContact NE2-OH 3.32Å; Q478-L680 HydrophobicContact CG-CD2 4.16Å
479	S	84.4	Confident	90.9	Very high	113 Å²	113	28.8 Å²	28.8	79%	0.79	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	140.9	170.4	-171	0	0	0	0	109.8	A481	S479-A481 VanDerWaalsContact C-N 3.26Å; S479-A481 PolarHBondContact O-N 3.15Å
480	G	84.9	Confident	91	Very high	73 Å²	73	27.4 Å²	27.4	75%	0.753	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	2.6	-175.6	0	0	0	0	0	115.7	G482	G480-G482 PolarHBondContact O-N 3.28Å; G480-G482 VanDerWaalsContact O-N 3.09Å
481	A	87.2	Confident	91.2	Very high	6 Å²	6	26.7 Å²	26.7	5%	0.05	17%	0.171	C	C	.	.	S	Bend	trans	-66	-9.6	178.1	0	0	0	0	0	114.8	Q478 S479 M656 G659	Q478-A481 WeakPolarHBondContact O-CB 3.46Å; Q478-A481 PolarHBondContact O-N 3.04Å; S479-A481 VanDerWaalsContact C-N 3.26Å; S479-A481 PolarHBondContact O-N 3.15Å; A481-M656 HydrophobicContact CB-CE 4.4Å; A481-M656 HydrophobicContact CB-CG 4.47Å; A481-M656 VanDerWaalsContact O-CE 3.3Å; A481-M656 WeakPolarHBondContact O-CE 3.44Å; A481-G659 WeakPolarHBondContact O-CA 3.42Å; A481-G659 PolarHBondContact O-N 2.96Å; A481-G659 VanDerWaalsContact O-N 3.12Å
482	G	90.4	Very high	91.2	Very high	5 Å²	5	23.5 Å²	23.5	5%	0.052	16%	0.157	C	C	.	.	S	Bend	trans	104.1	10.3	-178.6	0	0	0	0	0	115.6	G480 T485 V486	G480-G482 PolarHBondContact O-N 3.28Å; G480-G482 VanDerWaalsContact O-N 3.09Å; G482-T485 WeakPolarHBondContact O-CB 3.42Å; G482-T485 PolarHBondContact O-N 3.27Å; G482-V486 PolarHBondContact O-N 2.95Å
483	K	91.6	Very high	91.1	Very high	15 Å²	15	24.8 Å²	24.8	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-55.6	-170	-56	-174.6	-58.5	-90.5	0	113.2	L475 G477 Q478 T485 V486 I640 H642 M656	L475-K483 HydrophobicContact CD2-CB 4.09Å; L475-K483 HydrophobicContact CD2-CG 4.28Å; L475-K483 HydrophobicContact CG-CG 4.35Å; G477-K483 PolarHBondContact O-NZ 2.95Å; Q478-K483 PolarHBondContact O-NZ 3.34Å; K483-T485 PolarHBondContact O-N 3.39Å; K483-V486 WeakPolarHBondContact O-CB 3.27Å; K483-V486 PolarHBondContact O-N 3.36Å; K483-V486 VanDerWaalsContact O-N 3.09Å; K483-I640 HydrophobicContact CB-CD1 4.09Å; K483-I640 HydrophobicContact CB-CG1 4.21Å; K483-I640 HydrophobicContact CB-CG2 3.82Å; K483-I640 HydrophobicContact CD-CG2 3.89Å; K483-I640 HydrophobicContact CG-CG2 4.46Å; K483-H642 PolarHBondContact NZ-NE2 2.9Å; K483-H642 VanDerWaalsContact NZ-NE2 3.13Å; K483-M656 VanDerWaalsContact CA-CE 3.4Å; K483-M656 HydrophobicContact CB-CE 4.04Å; K483-M656 HydrophobicContact CG-CE 3.53Å
484	S	90.8	Very high	91	Very high	55 Å²	55	25.6 Å²	25.6	39%	0.385	16%	0.163	S	C	.	.	H	α-helix	trans	-66.1	-20.8	178.3	-47.5	0	0	0	0	112.7	V487 S488 D610	S484-V487 PolarHBondContact O-N 3Å; S484-S488 PolarHBondContact O-N 3.04Å; S484-S488 PolarHBondContact O-OG 3.27Å; S484-D610 PolarHBondContact OG-OD2 3.01Å; S484-D610 VanDerWaalsContact OG-OD2 3.09Å
485	T	92.8	Very high	90.9	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-67.9	-37.3	172.8	-50.2	0	0	0	0	111.8	F449 Y451 V459 L460 G482 K483 V487 S488 L489	F449-T485 HydrophobicContact CD1-CG2 3.32Å; F449-T485 HydrophobicContact CE1-CG2 3.56Å; F449-T485 HydrophobicContact CG-CG2 4.34Å; Y451-T485 HydrophobicContact CE2-CG2 4.01Å; Y451-T485 WeakPolarHBondContact CE2-OG1 3.45Å; Y451-T485 WeakPolarHBondContact OH-CA 3.43Å; Y451-T485 WeakPolarHBondContact OH-CB 3.36Å; Y451-T485 PolarHBondContact OH-OG1 3.45Å; V459-T485 HydrophobicContact CG1-CG2 4Å; V459-T485 VanDerWaalsContact CG1-OG1 3.27Å; V459-T485 WeakPolarHBondContact CG1-OG1 3.37Å; L460-T485 HydrophobicContact CD1-CG2 4.07Å; L460-T485 HydrophobicContact CG-CG2 4.13Å; G482-T485 WeakPolarHBondContact O-CB 3.42Å; G482-T485 PolarHBondContact O-N 3.27Å; K483-T485 PolarHBondContact O-N 3.39Å; T485-V487 VanDerWaalsContact C-N 3.3Å; T485-V487 PolarHBondContact O-N 3.25Å; T485-S488 PolarHBondContact O-N 3.41Å; T485-L489 WeakPolarHBondContact O-CG 3.46Å; T485-L489 PolarHBondContact O-N 3.5Å
486	V	94.4	Very high	90.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-45.4	174.2	178.2	0	0	0	0	110.4	F444 L460 L463 L475 G482 K483 L489 L490 L638 M656	F444-V486 HydrophobicContact CE1-CG1 4.09Å; F444-V486 HydrophobicContact CE2-CG1 4.09Å; F444-V486 HydrophobicContact CZ-CG1 3.52Å; L460-V486 HydrophobicContact CD1-CG2 4.43Å; L460-V486 HydrophobicContact CD2-CG2 4.31Å; L463-V486 HydrophobicContact CD2-CG2 3.94Å; L475-V486 HydrophobicContact CD2-CB 4.25Å; L475-V486 HydrophobicContact CD2-CG2 4.05Å; G482-V486 PolarHBondContact O-N 2.95Å; K483-V486 WeakPolarHBondContact O-CB 3.27Å; K483-V486 PolarHBondContact O-N 3.36Å; K483-V486 VanDerWaalsContact O-N 3.09Å; V486-L489 PolarHBondContact O-N 2.99Å; V486-L490 HydrophobicContact CG1-CD1 4.36Å; V486-L490 WeakPolarHBondContact O-CG 3.39Å; V486-L490 PolarHBondContact O-N 3.36Å; V486-L638 HydrophobicContact CG1-CD2 4.06Å; V486-M656 HydrophobicContact CG2-CE 4.35Å; V486-M656 HydrophobicContact CG2-SD 4.45Å
487	V	93.7	Very high	90.8	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-44.9	176.1	172.4	0	0	0	0	111.2	S484 T485 L489 L490 E491 Y523 L608 I640	S484-V487 PolarHBondContact O-N 3Å; T485-V487 VanDerWaalsContact C-N 3.3Å; T485-V487 PolarHBondContact O-N 3.25Å; V487-L489 VanDerWaalsContact C-N 3.27Å; V487-L489 PolarHBondContact O-N 2.96Å; V487-L490 PolarHBondContact O-N 3.03Å; V487-L490 VanDerWaalsContact O-N 3.11Å; V487-E491 PolarHBondContact O-N 3.41Å; V487-Y523 HydrophobicContact CG1-CD2 3.77Å; V487-Y523 HydrophobicContact CG1-CE2 3.57Å; V487-L608 HydrophobicContact CG1-CB 4.33Å; V487-L608 HydrophobicContact CG1-CD1 4Å; V487-I640 HydrophobicContact CG2-CD1 3.59Å; V487-I640 HydrophobicContact CG2-CG1 4.3Å
488	S	93	Very high	91	Very high	22 Å²	22	37 Å²	37	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-34.9	179.2	-58.2	0	0	0	0	112.9	S484 T485 R492 F493	S484-S488 PolarHBondContact O-N 3.04Å; S484-S488 PolarHBondContact O-OG 3.27Å; T485-S488 PolarHBondContact O-N 3.41Å; S488-R492 PolarHBondContact O-N 3.11Å; S488-F493 PolarHBondContact O-N 3.42Å
489	L	93.7	Very high	91.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-74.1	-37.2	174.6	-68.9	178.8	0	0	0	112.6	V447 F449 L460 T485 V486 V487 R492 Y494 I501	V447-L489 HydrophobicContact CG1-CD1 4.06Å; F449-L489 HydrophobicContact CB-CD1 4.12Å; F449-L489 HydrophobicContact CD2-CD2 3.73Å; F449-L489 HydrophobicContact CE2-CD2 3.9Å; F449-L489 HydrophobicContact CG-CD1 4.2Å; F449-L489 HydrophobicContact CG-CD2 4.09Å; F449-L489 HydrophobicContact CZ-CD2 4.4Å; L460-L489 HydrophobicContact CD1-CD1 3.44Å; L460-L489 VanDerWaalsContact CD1-CD1 3.44Å; T485-L489 WeakPolarHBondContact O-CG 3.46Å; T485-L489 PolarHBondContact O-N 3.5Å; V486-L489 PolarHBondContact O-N 2.99Å; V487-L489 VanDerWaalsContact C-N 3.27Å; V487-L489 PolarHBondContact O-N 2.96Å; L489-R492 WeakPolarHBondContact O-CA 3.34Å; L489-R492 PolarHBondContact O-N 3.15Å; L489-Y494 WeakPolarHBondContact CD2-O 3.47Å; L489-I501 HydrophobicContact CB-CD1 3.76Å; L489-I501 HydrophobicContact CD1-CD1 4.4Å
490	L	94	Very high	91.7	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-40	175.2	-70.2	173.5	0	0	0	112.4	I442 F444 V486 V487 R492 I501 I521 L608 L638	I442-L490 HydrophobicContact CD1-CD1 4.5Å; I442-L490 HydrophobicContact CD1-CD2 4.26Å; I442-L490 HydrophobicContact CG2-CD2 3.57Å; F444-L490 HydrophobicContact CE2-CD1 4.39Å; F444-L490 HydrophobicContact CE2-CD2 3.82Å; F444-L490 HydrophobicContact CE2-CG 4.27Å; F444-L490 HydrophobicContact CZ-CD1 4.18Å; F444-L490 HydrophobicContact CZ-CD2 3.6Å; F444-L490 HydrophobicContact CZ-CG 3.75Å; V486-L490 HydrophobicContact CG1-CD1 4.36Å; V486-L490 WeakPolarHBondContact O-CG 3.39Å; V486-L490 PolarHBondContact O-N 3.36Å; V487-L490 PolarHBondContact O-N 3.03Å; V487-L490 VanDerWaalsContact O-N 3.11Å; L490-R492 PolarHBondContact O-N 3.11Å; L490-I501 HydrophobicContact CD2-CG2 4Å; L490-I521 WeakPolarHBondContact O-CD1 3.31Å; L490-L608 HydrophobicContact CB-CD1 3.83Å; L490-L608 HydrophobicContact CD1-CD1 4.21Å; L490-L608 HydrophobicContact CD1-CD2 3.73Å; L490-L638 HydrophobicContact CD1-CD2 3.78Å
491	E	92.8	Very high	92.1	Very high	22 Å²	22	29.6 Å²	29.6	10%	0.103	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-3.5	171.2	-66.7	-164.3	99.5	0	0	113	V487 F493 R517 I521 Y523 L608	V487-E491 PolarHBondContact O-N 3.41Å; E491-F493 HydrophobicContact CB-CD1 4.38Å; E491-F493 HydrophobicContact CB-CD2 4.07Å; E491-F493 HydrophobicContact CB-CE1 4.23Å; E491-F493 HydrophobicContact CB-CE2 3.92Å; E491-F493 HydrophobicContact CB-CG 4.29Å; E491-F493 HydrophobicContact CB-CZ 3.99Å; E491-F493 HydrophobicContact CG-CE2 4.43Å; E491-F493 PolarHBondContact O-N 3.15Å; E491-F493 WeakPolarHBondContact OE2-CE2 3.05Å; E491-R517 PolarHBondContact O-NE 3.08Å; E491-R517 PolarHBondContact O-NH2 3.34Å; E491-I521 HydrophobicContact CG-CG2 4.24Å; E491-Y523 WeakPolarHBondContact OE1-CB 3.47Å; E491-L608 HydrophobicContact CG-CD1 4.09Å
492	R	92.3	Very high	92.4	Very high	28 Å²	28	30.5 Å²	30.5	11%	0.106	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	38	-178.6	-157.8	177.3	166.2	-163.3	-3.4	111.7	S488 L489 L490 D495 T509 F511 L516 R517	S488-R492 PolarHBondContact O-N 3.11Å; L489-R492 WeakPolarHBondContact O-CA 3.34Å; L489-R492 PolarHBondContact O-N 3.15Å; L490-R492 PolarHBondContact O-N 3.11Å; R492-D495 WeakPolarHBondContact CG-OD1 3.16Å; R492-D495 IonicContact CZ-OD1 2.71Å; R492-D495 IonicContact NE-OD1 3.69Å; R492-D495 PolarHBondContact NE-OD1 2.92Å; R492-D495 IonicContact NE-OD2 3.8Å; R492-D495 IonicContact NH2-OD1 3.2Å; R492-D495 IonicContact NH2-OD2 3.38Å; R492-T509 PolarHBondContact NH1-O 3.45Å; R492-F511 PolarHBondContact NH1-O 3.42Å; R492-F511 VanDerWaalsContact NH1-O 3.12Å; R492-L516 HydrophobicContact CB-CD2 4.12Å; R492-R517 VanDerWaalsContact C-NH2 3.31Å; R492-R517 PolarHBondContact O-NH2 3.06Å
493	F	91.2	Very high	92.5	Very high	53 Å²	53	30.5 Å²	30.5	23%	0.232	17%	0.172	C	C	.	.	S	Bend	trans	-67	-26.6	167.5	-67.3	-32.4	0	0	0	110.9	V193 S488 E491	V193-F493 HydrophobicContact CB-CB 4.21Å; V193-F493 HydrophobicContact CB-CG 4.5Å; V193-F493 HydrophobicContact CG2-CB 3.94Å; V193-F493 HydrophobicContact CG2-CD1 3.56Å; V193-F493 HydrophobicContact CG2-CE1 4.21Å; V193-F493 HydrophobicContact CG2-CG 3.78Å; S488-F493 PolarHBondContact O-N 3.42Å; E491-F493 HydrophobicContact CB-CD1 4.38Å; E491-F493 HydrophobicContact CB-CD2 4.07Å; E491-F493 HydrophobicContact CB-CE1 4.23Å; E491-F493 HydrophobicContact CB-CE2 3.92Å; E491-F493 HydrophobicContact CB-CG 4.29Å; E491-F493 HydrophobicContact CB-CZ 3.99Å; E491-F493 HydrophobicContact CG-CE2 4.43Å; E491-F493 PolarHBondContact O-N 3.15Å; E491-F493 WeakPolarHBondContact OE2-CE2 3.05Å
494	Y	91.9	Very high	92.3	Very high	18 Å²	18	32.7 Å²	32.7	7%	0.071	19%	0.185	C	C	.	.	S	Bend	trans	-138.1	155.5	170.5	-42.7	-92	0	0	0	109	A194 D197 F449 Y451 P452 L489	A194-Y494 HydrophobicContact CB-CD1 4.2Å; A194-Y494 HydrophobicContact CB-CE1 3.86Å; D197-Y494 PolarHBondContact OD2-OH 2.66Å; F449-Y494 VanDerWaalsContact CE2-CB 3.44Å; F449-Y494 HydrophobicContact CE2-CG 4.08Å; F449-Y494 HydrophobicContact CZ-CD1 4.16Å; F449-Y494 HydrophobicContact CZ-CD2 4.06Å; F449-Y494 AromaticContact CZ-CG 3.66Å; F449-Y494 HydrophobicContact CZ-CG 3.66Å; Y451-Y494 HydrophobicContact CD1-CE1 4.15Å; Y451-Y494 HydrophobicContact CD1-CE2 4.17Å; Y451-Y494 AromaticContact CD1-CZ 3.92Å; Y451-Y494 HydrophobicContact CE1-CD2 4.14Å; Y451-Y494 HydrophobicContact CE1-CE1 4.44Å; Y451-Y494 AromaticContact CE1-CE2 3.64Å; Y451-Y494 HydrophobicContact CE1-CE2 3.64Å; Y451-Y494 AromaticContact CE1-CZ 3.8Å; P452-Y494 HydrophobicContact CG-CD1 4.48Å; L489-Y494 WeakPolarHBondContact CD2-O 3.47Å
495	D	90.7	Very high	92.2	Very high	58 Å²	58	32.5 Å²	32.5	31%	0.31	19%	0.191	S	C	.	.			trans	-101.5	148.6	169.3	-71.7	-36.8	0	0	0	109.1	R492	R492-D495 WeakPolarHBondContact CG-OD1 3.16Å; R492-D495 IonicContact CZ-OD1 2.71Å; R492-D495 IonicContact NE-OD1 3.69Å; R492-D495 PolarHBondContact NE-OD1 2.92Å; R492-D495 IonicContact NE-OD2 3.8Å; R492-D495 IonicContact NH2-OD1 3.2Å; R492-D495 IonicContact NH2-OD2 3.38Å
496	P	92.1	Very high	92	Very high	31 Å²	31	34.3 Å²	34.3	20%	0.201	20%	0.201	C	C	.	.			trans	-68.1	155.4	177.7	30.4	-36	0	0	0	112.4	V447	V447-P496 HydrophobicContact CG1-CB 3.72Å
497	I	90.3	Very high	91.8	Very high	114 Å²	114	38.1 Å²	38.1	59%	0.585	22%	0.217	S	C	*	.	S	Bend	trans	-77.1	-42.1	177.5	-63.6	171	0	0	0	110.4	K448 V450	K448-I497 PolarHBondContact O-N 2.8Å; V450-I497 HydrophobicContact CB-CD1 3.65Å; V450-I497 HydrophobicContact CG2-CD1 3.68Å
498	S	92.3	Very high	91.6	Very high	55 Å²	55	38.4 Å²	38.4	39%	0.385	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	163.5	174.1	69.7	0	0	0	0	109.8	V447 K448	V447-S498 WeakPolarHBondContact CA-O 3.32Å; K448-S498 WeakPolarHBondContact CB-OG 3.3Å; K448-S498 PolarHBondContact N-O 3.44Å; K448-S498 PolarHBondContact O-N 3.42Å
499	G	92	Very high	91.2	Very high	33 Å²	33	40.5 Å²	40.5	34%	0.34	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.6	175.7	-170.9	0	0	0	0	0	112.1	S445 D446	S445-G499 CarbonylContact O-C 3.57Å; S445-G499 WeakPolarHBondContact O-CA 3.18Å; D446-G499 WeakPolarHBondContact O-CA 3.34Å
500	E	93.5	Very high	91	Very high	80 Å²	80	43.5 Å²	43.5	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.1	-172.6	-58.6	-172.2	168.6	0	0	110.9	S445 V447 L502 K507	S445-E500 PolarHBondContact N-O 3.23Å; S445-E500 PolarHBondContact O-N 3.02Å; V447-E500 WeakPolarHBondContact CG2-O 3.45Å; E500-L502 HydrophobicContact CB-CD2 4.42Å; E500-K507 WeakPolarHBondContact OE1-CE 3.41Å; E500-K507 IonicContact OE1-NZ 3.23Å; E500-K507 PolarHBondContact OE1-NZ 3.34Å; E500-K507 VanDerWaalsContact OE2-CD 3.3Å; E500-K507 WeakPolarHBondContact OE2-CD 3.34Å; E500-K507 WeakPolarHBondContact OE2-CE 3.1Å; E500-K507 IonicContact OE2-NZ 2.74Å; E500-K507 PolarHBondContact OE2-NZ 2.78Å; E500-K507 VanDerWaalsContact OE2-NZ 3.08Å
501	I	94.2	Very high	90.5	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.4	171.6	-56.3	172.4	0	0	0	106.5	I442 E443 F444 V447 L489 L490 L508	I442-I501 HydrophobicContact CG2-CG2 4.34Å; E443-I501 CarbonylContact O-C 3.54Å; E443-I501 VanDerWaalsContact O-CA 3.28Å; E443-I501 WeakPolarHBondContact O-CA 3.33Å; F444-I501 HydrophobicContact CD1-CD1 3.97Å; F444-I501 HydrophobicContact CD1-CG1 3.74Å; F444-I501 HydrophobicContact CE1-CD1 3.52Å; F444-I501 HydrophobicContact CE1-CG1 3.8Å; F444-I501 HydrophobicContact CE1-CG2 4.46Å; F444-I501 HydrophobicContact CE2-CG2 4.42Å; F444-I501 HydrophobicContact CG-CG1 4.36Å; F444-I501 HydrophobicContact CZ-CD1 4.17Å; F444-I501 HydrophobicContact CZ-CG1 4.48Å; F444-I501 HydrophobicContact CZ-CG2 4.33Å; V447-I501 HydrophobicContact CG2-CG1 3.97Å; L489-I501 HydrophobicContact CB-CD1 3.76Å; L489-I501 HydrophobicContact CD1-CD1 4.4Å; L490-I501 HydrophobicContact CD2-CG2 4Å; I501-L508 HydrophobicContact CB-CB 4.15Å; I501-L508 HydrophobicContact CB-CD2 4.27Å; I501-L508 HydrophobicContact CG2-CB 4.23Å; I501-L508 HydrophobicContact CG2-CD2 3.94Å; I501-L508 WeakPolarHBondContact O-CB 3.4Å; I501-L508 PolarHBondContact O-N 2.77Å
502	L	93.3	Very high	90.2	Very high	26 Å²	26	45.5 Å²	45.5	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.7	-177.8	-48.3	173.5	0	0	0	110.1	I442 E443 E500 D506 K507	I442-L502 CarbonylContact C-O 3.57Å; I442-L502 WeakPolarHBondContact CA-O 3.35Å; E443-L502 HydrophobicContact CB-CB 4.16Å; E443-L502 PolarHBondContact N-O 3.13Å; E443-L502 PolarHBondContact O-N 2.52Å; E500-L502 HydrophobicContact CB-CD2 4.42Å; L502-D506 CarbonylContact C-O 3.49Å; L502-D506 VanDerWaalsContact CA-O 3.3Å; L502-D506 WeakPolarHBondContact CA-O 3.32Å; L502-K507 HydrophobicContact CD2-CB 4.35Å; L502-K507 HydrophobicContact CD2-CG 3.82Å
503	L	91.7	Very high	90	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114	171.6	-173.8	154.1	0	0	0	107.3	P440 S441 G505 D506 L508 F511 L516 L520 I606	P440-L503 HydrophobicContact CB-CD2 4.09Å; P440-L503 HydrophobicContact CB-CG 4.37Å; S441-L503 WeakPolarHBondContact O-CA 3.3Å; L503-G505 PolarHBondContact O-N 3.28Å; L503-D506 PolarHBondContact N-O 3.41Å; L503-D506 PolarHBondContact O-N 3.21Å; L503-L508 HydrophobicContact CB-CD1 4.45Å; L503-L508 HydrophobicContact CD1-CD1 4.23Å; L503-F511 HydrophobicContact CB-CE2 4.11Å; L503-F511 HydrophobicContact CB-CZ 4.41Å; L503-F511 HydrophobicContact CD2-CE1 4.38Å; L503-F511 HydrophobicContact CD2-CE2 4.42Å; L503-F511 HydrophobicContact CD2-CZ 3.88Å; L503-L516 HydrophobicContact CD1-CD1 4.34Å; L503-L520 HydrophobicContact CD1-CD1 4.33Å; L503-I606 HydrophobicContact CD1-CD1 3.64Å; L503-I606 HydrophobicContact CG-CD1 4.47Å
504	N	88.5	Confident	89.8	Confident	62 Å²	62	47.6 Å²	47.6	33%	0.332	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	35.4	-169.4	-69.2	-18.8	0	0	0	113.5	P440 S441 D506	P440-N504 WeakPolarHBondContact CA-OD1 3.28Å; P440-N504 WeakPolarHBondContact CB-OD1 3.3Å; S441-N504 PolarHBondContact N-OD1 3.29Å; S441-N504 PolarHBondContact O-N 2.99Å; S441-N504 PolarHBondContact OG-OD1 2.92Å; N504-D506 VanDerWaalsContact C-N 3.28Å; N504-D506 PolarHBondContact O-N 3.05Å
505	G	87.2	Confident	89.6	Confident	51 Å²	51	47.7 Å²	47.7	53%	0.526	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-9.5	-177.7	0	0	0	0	0	115.3	L503	L503-G505 PolarHBondContact O-N 3.28Å
506	D	89.3	Confident	89.6	Confident	46 Å²	46	44.9 Å²	44.9	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.7	173.8	-72.5	-53.3	0	0	0	110.8	K429 L502 L503 N504 L508 F511	K429-D506 IonicContact NZ-OD1 2.71Å; K429-D506 PolarHBondContact NZ-OD1 2.91Å; K429-D506 IonicContact NZ-OD2 2.69Å; K429-D506 PolarHBondContact NZ-OD2 3Å; L502-D506 CarbonylContact C-O 3.49Å; L502-D506 VanDerWaalsContact CA-O 3.3Å; L502-D506 WeakPolarHBondContact CA-O 3.32Å; L503-D506 PolarHBondContact N-O 3.41Å; L503-D506 PolarHBondContact O-N 3.21Å; N504-D506 VanDerWaalsContact C-N 3.28Å; N504-D506 PolarHBondContact O-N 3.05Å; D506-L508 PolarHBondContact O-N 3.39Å; D506-F511 HydrophobicContact CB-CE2 3.79Å; D506-F511 HydrophobicContact CB-CZ 3.97Å
507	K	89.6	Confident	89.6	Confident	80 Å²	80	47.5 Å²	47.5	35%	0.348	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131.9	177.8	-53.8	-173	-168.5	-163.3	0	111.6	E500 L502 T509 N510 F511	E500-K507 WeakPolarHBondContact OE1-CE 3.41Å; E500-K507 IonicContact OE1-NZ 3.23Å; E500-K507 PolarHBondContact OE1-NZ 3.34Å; E500-K507 VanDerWaalsContact OE2-CD 3.3Å; E500-K507 WeakPolarHBondContact OE2-CD 3.34Å; E500-K507 WeakPolarHBondContact OE2-CE 3.1Å; E500-K507 IonicContact OE2-NZ 2.74Å; E500-K507 PolarHBondContact OE2-NZ 2.78Å; E500-K507 VanDerWaalsContact OE2-NZ 3.08Å; L502-K507 HydrophobicContact CD2-CB 4.35Å; L502-K507 HydrophobicContact CD2-CG 3.82Å; K507-T509 PolarHBondContact O-N 3.2Å; K507-T509 VanDerWaalsContact O-N 3.14Å; K507-N510 VanDerWaalsContact O-CB 3.28Å; K507-N510 WeakPolarHBondContact O-CB 3.46Å; K507-N510 PolarHBondContact O-N 2.89Å; K507-F511 WeakPolarHBondContact O-CD2 3.33Å
508	L	89	Confident	89.4	Confident	9 Å²	9	44.6 Å²	44.6	5%	0.047	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-57.8	-30.7	178.2	-168.8	66.8	0	0	0	112	I501 L503 D506 N510 F511 L516	I501-L508 HydrophobicContact CB-CB 4.15Å; I501-L508 HydrophobicContact CB-CD2 4.27Å; I501-L508 HydrophobicContact CG2-CB 4.23Å; I501-L508 HydrophobicContact CG2-CD2 3.94Å; I501-L508 WeakPolarHBondContact O-CB 3.4Å; I501-L508 PolarHBondContact O-N 2.77Å; L503-L508 HydrophobicContact CB-CD1 4.45Å; L503-L508 HydrophobicContact CD1-CD1 4.23Å; D506-L508 PolarHBondContact O-N 3.39Å; L508-N510 PolarHBondContact O-N 2.89Å; L508-F511 PolarHBondContact O-N 2.84Å; L508-L516 HydrophobicContact CD1-CD1 3.76Å; L508-L516 HydrophobicContact CD1-CD2 3.89Å; L508-L516 HydrophobicContact CD1-CG 4.5Å; L508-L516 HydrophobicContact CG-CD2 4.28Å
509	T	86.6	Confident	89.2	Confident	66 Å²	66	48 Å²	48	41%	0.405	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.5	-22.8	176.7	50.7	0	0	0	0	113.7	R492 K507 F511	R492-T509 PolarHBondContact NH1-O 3.45Å; K507-T509 PolarHBondContact O-N 3.2Å; K507-T509 VanDerWaalsContact O-N 3.14Å; T509-F511 VanDerWaalsContact C-N 3.31Å; T509-F511 PolarHBondContact O-N 3.43Å
510	N	87.7	Confident	89.1	Confident	63 Å²	63	46.5 Å²	46.5	34%	0.337	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-78.5	-12.6	178.3	-62.6	-17.5	0	0	0	113.2	K507 L508	K507-N510 VanDerWaalsContact O-CB 3.28Å; K507-N510 WeakPolarHBondContact O-CB 3.46Å; K507-N510 PolarHBondContact O-N 2.89Å; L508-N510 PolarHBondContact O-N 2.89Å
511	F	84.6	Confident	89.1	Confident	5 Å²	5	43 Å²	43	2%	0.022	23%	0.231	C	C	.	.	S	Bend	trans	-88.4	147.1	-179.8	-68.7	-93.3	0	0	0	111.8	R492 L503 D506 K507 L508 T509 V513 L520	R492-F511 PolarHBondContact NH1-O 3.42Å; R492-F511 VanDerWaalsContact NH1-O 3.12Å; L503-F511 HydrophobicContact CB-CE2 4.11Å; L503-F511 HydrophobicContact CB-CZ 4.41Å; L503-F511 HydrophobicContact CD2-CE1 4.38Å; L503-F511 HydrophobicContact CD2-CE2 4.42Å; L503-F511 HydrophobicContact CD2-CZ 3.88Å; D506-F511 HydrophobicContact CB-CE2 3.79Å; D506-F511 HydrophobicContact CB-CZ 3.97Å; K507-F511 WeakPolarHBondContact O-CD2 3.33Å; L508-F511 PolarHBondContact O-N 2.84Å; T509-F511 VanDerWaalsContact C-N 3.31Å; T509-F511 PolarHBondContact O-N 3.43Å; F511-V513 PolarHBondContact O-N 2.88Å; F511-L520 HydrophobicContact CD1-CD1 4.34Å
512	N	86	Confident	89	Confident	64 Å²	64	42.5 Å²	42.5	34%	0.342	23%	0.228	S	C	.	.			trans	-65.9	125.9	171	-166.2	-65.7	0	0	0	109.1	I428 N514 Y515 L516	I428-N512 HydrophobicContact CG2-CB 3.51Å; N512-N514 VanDerWaalsContact C-N 3.26Å; N512-N514 PolarHBondContact O-N 3.43Å; N512-N514 WeakPolarHBondContact OD1-CA 3.34Å; N512-N514 WeakPolarHBondContact OD1-CB 3.4Å; N512-N514 PolarHBondContact OD1-N 3.1Å; N512-Y515 PolarHBondContact O-N 3.07Å; N512-Y515 VanDerWaalsContact O-N 3.09Å; N512-L516 WeakPolarHBondContact O-CB 3.13Å; N512-L516 PolarHBondContact O-N 3.44Å
513	V	87.6	Confident	89	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-39.1	178.6	-177.8	0	0	0	0	112.2	I408 F511 L516 R517	I408-V513 HydrophobicContact CG2-CG2 4.1Å; F511-V513 PolarHBondContact O-N 2.88Å; V513-L516 PolarHBondContact O-N 3.25Å; V513-R517 HydrophobicContact CG1-CG 4.42Å; V513-R517 VanDerWaalsContact CG1-NH1 3.35Å; V513-R517 WeakPolarHBondContact O-CB 3.43Å; V513-R517 WeakPolarHBondContact O-CG 3.48Å; V513-R517 PolarHBondContact O-N 3.35Å
514	N	87.7	Confident	89	Confident	117 Å²	117	44.5 Å²	44.5	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-65.3	-43.8	176.9	-172.3	27	0	0	0	111.1	N512 R517 S518	N512-N514 VanDerWaalsContact C-N 3.26Å; N512-N514 PolarHBondContact O-N 3.43Å; N512-N514 WeakPolarHBondContact OD1-CA 3.34Å; N512-N514 WeakPolarHBondContact OD1-CB 3.4Å; N512-N514 PolarHBondContact OD1-N 3.1Å; N514-R517 PolarHBondContact O-N 3.43Å; N514-S518 WeakPolarHBondContact O-CB 3.4Å; N514-S518 PolarHBondContact O-N 3.38Å; N514-S518 PolarHBondContact O-OG 3.23Å
515	Y	87.6	Confident	89	Confident	19 Å²	19	43 Å²	43	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-45.8	175.8	-179.2	-103.6	0	0	0	111.5	E430 L431 N512 R517 S518 K519 L520	E430-Y515 HydrophobicContact CG-CD2 4.43Å; L431-Y515 HydrophobicContact CB-CE1 4.38Å; N512-Y515 PolarHBondContact O-N 3.07Å; N512-Y515 VanDerWaalsContact O-N 3.09Å; Y515-R517 PolarHBondContact O-N 2.83Å; Y515-S518 PolarHBondContact O-N 3.36Å; Y515-K519 HydrophobicContact CD2-CB 4.46Å; Y515-K519 HydrophobicContact CD2-CD 4.01Å; Y515-K519 HydrophobicContact CE2-CB 4.27Å; Y515-K519 HydrophobicContact CE2-CD 3.69Å; Y515-K519 HydrophobicContact CE2-CG 4.49Å; Y515-K519 PolarHBondContact O-N 3.17Å; Y515-L520 HydrophobicContact CD1-CD1 3.81Å; Y515-L520 HydrophobicContact CD1-CG 4.01Å; Y515-L520 HydrophobicContact CE1-CD1 3.57Å; Y515-L520 HydrophobicContact CE1-CD2 3.92Å; Y515-L520 HydrophobicContact CE1-CG 3.64Å; Y515-L520 PolarHBondContact O-N 3.18Å
516	L	89.9	Confident	88.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-55.8	-50.4	177.7	-174.2	69	0	0	0	111.3	R492 L503 L508 N512 V513 L520 I521	R492-L516 HydrophobicContact CB-CD2 4.12Å; L503-L516 HydrophobicContact CD1-CD1 4.34Å; L508-L516 HydrophobicContact CD1-CD1 3.76Å; L508-L516 HydrophobicContact CD1-CD2 3.89Å; L508-L516 HydrophobicContact CD1-CG 4.5Å; L508-L516 HydrophobicContact CG-CD2 4.28Å; N512-L516 WeakPolarHBondContact O-CB 3.13Å; N512-L516 PolarHBondContact O-N 3.44Å; V513-L516 PolarHBondContact O-N 3.25Å; L516-L520 HydrophobicContact CD1-CB 4.16Å; L516-L520 HydrophobicContact CD1-CD1 3.89Å; L516-L520 WeakPolarHBondContact O-CB 3.47Å; L516-L520 PolarHBondContact O-N 2.81Å; L516-I521 HydrophobicContact CD1-CD1 3.7Å; L516-I521 HydrophobicContact CD1-CG1 3.98Å; L516-I521 HydrophobicContact CD2-CD1 4.1Å; L516-I521 HydrophobicContact CG-CD1 3.66Å; L516-I521 HydrophobicContact CG-CG1 4.16Å; L516-I521 PolarHBondContact O-N 2.81Å
517	R	91.9	Very high	88.5	Confident	85 Å²	85	49.3 Å²	49.3	32%	0.321	24%	0.243	S	C	.	.	I	π-helix	trans	-80.6	-26.2	-178	-66.3	179.2	-172	152.1	7.6	114.3	E491 R492 V513 N514 Y515 K602	E491-R517 PolarHBondContact O-NE 3.08Å; E491-R517 PolarHBondContact O-NH2 3.34Å; R492-R517 VanDerWaalsContact C-NH2 3.31Å; R492-R517 PolarHBondContact O-NH2 3.06Å; V513-R517 HydrophobicContact CG1-CG 4.42Å; V513-R517 VanDerWaalsContact CG1-NH1 3.35Å; V513-R517 WeakPolarHBondContact O-CB 3.43Å; V513-R517 WeakPolarHBondContact O-CG 3.48Å; V513-R517 PolarHBondContact O-N 3.35Å; N514-R517 PolarHBondContact O-N 3.43Å; Y515-R517 PolarHBondContact O-N 2.83Å; R517-K602 VanDerWaalsContact O-CE 3.29Å; R517-K602 WeakPolarHBondContact O-CE 3.49Å; R517-K602 PolarHBondContact O-NZ 2.85Å
518	S	87.5	Confident	88.3	Confident	53 Å²	53	46 Å²	46	37%	0.371	23%	0.23	S	C	.	.	I	π-helix	trans	-86.6	-33.7	-179	61.2	0	0	0	0	112.8	N514 Y515 K602	N514-S518 WeakPolarHBondContact O-CB 3.4Å; N514-S518 PolarHBondContact O-N 3.38Å; N514-S518 PolarHBondContact O-OG 3.23Å; Y515-S518 PolarHBondContact O-N 3.36Å; S518-K602 WeakPolarHBondContact O-CE 3.13Å
519	K	87.9	Confident	88	Confident	127 Å²	127	50 Å²	50	55%	0.552	25%	0.248	S	C	*	.	I	π-helix	trans	-122.5	-37.6	-172.3	-67.1	-171.3	177.2	-176.6	0	114.9	Y515 P605	Y515-K519 HydrophobicContact CD2-CB 4.46Å; Y515-K519 HydrophobicContact CD2-CD 4.01Å; Y515-K519 HydrophobicContact CE2-CB 4.27Å; Y515-K519 HydrophobicContact CE2-CD 3.69Å; Y515-K519 HydrophobicContact CE2-CG 4.49Å; Y515-K519 PolarHBondContact O-N 3.17Å; K519-P605 WeakPolarHBondContact O-CD 3.46Å
520	L	90	Very high	88.1	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.232	C	C	.	.	I	π-helix	trans	-88	-41.1	-170.4	-65.9	-178.4	0	0	0	114.2	L503 F511 Y515 L516 P605 I606	L503-L520 HydrophobicContact CD1-CD1 4.33Å; F511-L520 HydrophobicContact CD1-CD1 4.34Å; Y515-L520 HydrophobicContact CD1-CD1 3.81Å; Y515-L520 HydrophobicContact CD1-CG 4.01Å; Y515-L520 HydrophobicContact CE1-CD1 3.57Å; Y515-L520 HydrophobicContact CE1-CD2 3.92Å; Y515-L520 HydrophobicContact CE1-CG 3.64Å; Y515-L520 PolarHBondContact O-N 3.18Å; L516-L520 HydrophobicContact CD1-CB 4.16Å; L516-L520 HydrophobicContact CD1-CD1 3.89Å; L516-L520 WeakPolarHBondContact O-CB 3.47Å; L516-L520 PolarHBondContact O-N 2.81Å; L520-P605 HydrophobicContact CD2-CG 4.08Å; L520-P605 VanDerWaalsContact O-CD 3.27Å; L520-P605 WeakPolarHBondContact O-CD 3.32Å; L520-I606 WeakPolarHBondContact O-CB 3.39Å; L520-I606 PolarHBondContact O-N 3.3Å
521	I	93	Very high	88.1	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.4	-172.8	-59.9	-178	0	0	0	110.9	L490 E491 L516 K602 I606 L608	L490-I521 WeakPolarHBondContact O-CD1 3.31Å; E491-I521 HydrophobicContact CG-CG2 4.24Å; L516-I521 HydrophobicContact CD1-CD1 3.7Å; L516-I521 HydrophobicContact CD1-CG1 3.98Å; L516-I521 HydrophobicContact CD2-CD1 4.1Å; L516-I521 HydrophobicContact CG-CD1 3.66Å; L516-I521 HydrophobicContact CG-CG1 4.16Å; L516-I521 PolarHBondContact O-N 2.81Å; I521-K602 WeakPolarHBondContact O-CE 3.48Å; I521-K602 PolarHBondContact O-NZ 2.85Å; I521-I606 HydrophobicContact CG1-CB 4.38Å; I521-I606 HydrophobicContact CG1-CD1 4.39Å; I521-I606 HydrophobicContact CG1-CG2 4.47Å; I521-L608 HydrophobicContact CG2-CD1 3.63Å; I521-L608 HydrophobicContact CG2-CG 3.96Å
522	G	92.9	Very high	88.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.9	162.6	0	0	0	0	0	110.1	I606 L607 L608	G522-I606 PolarHBondContact N-O 3.42Å; G522-L607 WeakPolarHBondContact O-CA 3.45Å; G522-L608 PolarHBondContact O-N 3.37Å
523	Y	93.2	Very high	88.4	Confident	71 Å²	71	52.8 Å²	52.8	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.8	177.5	175	-124.4	0	0	0	111	V487 E491 L608 D610	V487-Y523 HydrophobicContact CG1-CD2 3.77Å; V487-Y523 HydrophobicContact CG1-CE2 3.57Å; E491-Y523 WeakPolarHBondContact OE1-CB 3.47Å; Y523-L608 CarbonylContact C-O 3.59Å; Y523-L608 WeakPolarHBondContact CA-O 3.48Å; Y523-L608 HydrophobicContact CD2-CB 3.94Å; Y523-D610 HydrophobicContact CE2-CB 4Å
524	I	91.2	Very high	88.6	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.6	171.5	-58.9	174.8	0	0	0	107.1	I596 I599 L607 L608 M609 D610 L628	I524-I596 HydrophobicContact CD1-CG1 3.99Å; I524-I599 HydrophobicContact CD1-CG1 4.26Å; I524-I599 HydrophobicContact CG1-CG1 3.76Å; I524-L607 HydrophobicContact CD1-CD1 4.11Å; I524-L607 HydrophobicContact CG1-CD1 4.33Å; I524-L608 PolarHBondContact N-O 2.87Å; I524-M609 HydrophobicContact CB-CG 4.28Å; I524-M609 HydrophobicContact CD1-CG 4.18Å; I524-M609 HydrophobicContact CD1-SD 4.11Å; I524-D610 PolarHBondContact O-N 3.36Å; I524-L628 HydrophobicContact CD1-CD2 4.08Å
525	S	88.9	Confident	88.8	Confident	31 Å²	31	47.3 Å²	47.3	22%	0.217	23%	0.228	C	C	.	.			trans	-76.7	157.7	176.2	60.2	0	0	0	0	112.2	E527 P528	S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 PolarHBondContact O-N 2.77Å; S525-E527 PolarHBondContact OG-O 3.26Å; S525-P528 WeakPolarHBondContact OG-CA 3.4Å
526	Q	83.9	Confident	89.2	Confident	87 Å²	87	49.2 Å²	49.2	41%	0.407	24%	0.235	S	C	.	.	S	Bend	trans	-56.3	-45.9	175.7	-179.4	175.7	19.4	0	0	112	P528 D610 E611 S614	Q526-P528 WeakPolarHBondContact O-CD 3.45Å; Q526-D610 WeakPolarHBondContact CA-O 3.39Å; Q526-D610 PolarHBondContact N-O 2.91Å; Q526-D610 VanDerWaalsContact N-O 3.12Å; Q526-E611 HydrophobicContact CB-CB 4.43Å; Q526-E611 HydrophobicContact CG-CB 4.15Å; Q526-E611 PolarHBondContact NE2-OE2 3.37Å; Q526-S614 PolarHBondContact NE2-OG 3.2Å
527	E	81.7	Confident	89.4	Confident	141 Å²	141	53 Å²	53	66%	0.659	25%	0.253	S	S	*	.	S	Bend	trans	-111.1	100.1	169.2	-67.4	-170.6	172	0	0	109.9	S525 Q529	S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 PolarHBondContact O-N 2.77Å; S525-E527 PolarHBondContact OG-O 3.26Å; E527-Q529 PolarHBondContact O-N 3.5Å
528	P	84.5	Confident	89.4	Confident	12 Å²	12	49 Å²	49	8%	0.078	24%	0.237	C	C	.	.			trans	-66.1	122.5	179.4	-25.1	35.7	0	0	0	112.3	S525 Q526 Q592 A595	S525-P528 WeakPolarHBondContact OG-CA 3.4Å; Q526-P528 WeakPolarHBondContact O-CD 3.45Å; P528-Q592 HydrophobicContact CG-CB 4.28Å; P528-Q592 HydrophobicContact CG-CG 4.28Å; P528-A595 HydrophobicContact CB-CB 3.59Å; P528-A595 HydrophobicContact CG-CB 3.96Å
529	Q	84.6	Confident	89.8	Confident	93 Å²	93	46.4 Å²	46.4	44%	0.435	22%	0.22	S	C	.	.			trans	-81.6	123.4	175.7	-60.1	-60.5	-31.6	0	0	110.2	E527	E527-Q529 PolarHBondContact O-N 3.5Å
530	I	88.2	Confident	90.2	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.067	20%	0.203	C	C	.	.			trans	-104.7	124.6	176.9	-57.5	-57.9	0	0	0	107.8	N538 V576 G577 R591 I594	I530-N538 WeakPolarHBondContact CG2-OD1 3.43Å; I530-V576 HydrophobicContact CG2-CB 4.01Å; I530-V576 HydrophobicContact CG2-CG2 3.43Å; I530-V576 VanDerWaalsContact CG2-CG2 3.43Å; I530-G577 WeakPolarHBondContact O-CA 3.42Å; I530-R591 HydrophobicContact CG1-CB 4.19Å; I530-R591 HydrophobicContact CG1-CG 3.98Å; I530-I594 HydrophobicContact CD1-CB 4.27Å; I530-I594 HydrophobicContact CD1-CG2 3.88Å
531	F	87.4	Confident	90.3	Very high	119 Å²	119	46.1 Å²	46.1	52%	0.522	22%	0.217	S	C	.	.			trans	-74.8	153.2	179.7	-64.4	-83.6	0	0	0	110.4	A533 N538 F541 V576	F531-A533 VanDerWaalsContact C-N 3.28Å; F531-A533 PolarHBondContact O-N 3.45Å; F531-N538 PolarHBondContact N-OD1 2.86Å; F531-N538 PolarHBondContact O-ND2 3.26Å; F531-F541 HydrophobicContact CB-CE2 3.87Å; F531-F541 AromaticContact CD2-CD2 3.62Å; F531-F541 HydrophobicContact CD2-CD2 3.62Å; F531-F541 AromaticContact CD2-CE2 3.72Å; F531-F541 HydrophobicContact CD2-CE2 3.72Å; F531-F541 HydrophobicContact CE2-CD2 4.16Å; F531-F541 HydrophobicContact CG-CD2 4.36Å; F531-F541 HydrophobicContact CG-CE2 4.01Å; F531-V576 CarbonylContact C-O 3.54Å
532	N	88.1	Confident	90.2	Very high	113 Å²	113	46.4 Å²	46.4	60%	0.604	22%	0.221	S	C	*	.	S	Bend	trans	-69	82.3	174.7	-170.4	15.7	0	0	0	111.5	V576	N532-V576 WeakPolarHBondContact CA-O 3.44Å
533	A	89.5	Confident	90.1	Very high	11 Å²	11	50.3 Å²	50.3	9%	0.091	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	174.9	-173.6	0	0	0	0	0	109.5	F531 E537 N538 F541 V576	F531-A533 VanDerWaalsContact C-N 3.28Å; F531-A533 PolarHBondContact O-N 3.45Å; A533-E537 HydrophobicContact CB-CB 4.07Å; A533-N538 PolarHBondContact O-ND2 3.26Å; A533-F541 HydrophobicContact CB-CE2 4.4Å; A533-F541 HydrophobicContact CB-CZ 4.3Å; A533-V576 PolarHBondContact N-O 3.01Å; A533-V576 VanDerWaalsContact N-O 3.09Å; A533-V576 WeakPolarHBondContact O-CG2 3.5Å; A533-V576 PolarHBondContact O-N 3.04Å
534	S	91.5	Very high	90	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	158.3	171.4	62.7	0	0	0	0	111.1	R536 E537 N538 T574	S534-R536 PolarHBondContact O-N 3.31Å; S534-E537 PolarHBondContact N-OE2 3.17Å; S534-E537 PolarHBondContact O-N 3.39Å; S534-E537 WeakPolarHBondContact OG-CB 3.22Å; S534-E537 WeakPolarHBondContact OG-CG 3.17Å; S534-E537 PolarHBondContact OG-N 3.49Å; S534-E537 VanDerWaalsContact OG-N 3.1Å; S534-E537 PolarHBondContact OG-OE2 3.01Å; S534-N538 WeakPolarHBondContact O-CB 3.43Å; S534-N538 PolarHBondContact O-N 3.04Å; S534-N538 PolarHBondContact O-ND2 3.5Å; S534-T574 WeakPolarHBondContact CA-O 3.44Å
535	I	92.4	Very high	89.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-39	172.5	-67.3	173.1	0	0	0	110.2	E537 N538 I539 I564 L568 Y572 T574 V576 I594	I535-E537 PolarHBondContact O-N 2.85Å; I535-N538 PolarHBondContact O-N 3.34Å; I535-I539 HydrophobicContact CG2-CD1 4Å; I535-I539 HydrophobicContact CG2-CG1 4.45Å; I535-I539 WeakPolarHBondContact O-CG1 3.49Å; I535-I539 PolarHBondContact O-N 2.84Å; I535-I564 HydrophobicContact CD1-CG1 4.31Å; I535-I564 HydrophobicContact CG2-CD1 3.65Å; I535-I564 HydrophobicContact CG2-CG1 4.1Å; I535-I564 HydrophobicContact CG2-CG2 4.44Å; I535-L568 HydrophobicContact CD1-CD1 3.12Å; I535-Y572 PolarHBondContact N-O 3.26Å; I535-T574 PolarHBondContact N-O 3.49Å; I535-T574 VanDerWaalsContact N-O 3.13Å; I535-V576 HydrophobicContact CD1-CG1 3.97Å; I535-V576 HydrophobicContact CG1-CB 4.4Å; I535-V576 HydrophobicContact CG1-CG1 3.76Å; I535-V576 HydrophobicContact CG1-CG2 3.68Å; I535-I594 HydrophobicContact CD1-CD1 4.35Å; I535-I594 HydrophobicContact CG1-CD1 4.31Å; I535-I594 HydrophobicContact CG2-CD1 4.18Å; I535-I594 HydrophobicContact CG2-CG1 4.32Å
536	R	95.1	Very high	90.1	Very high	59 Å²	59	59.5 Å²	59.5	22%	0.223	28%	0.281	C	S	.	.	H	α-helix	trans	-52.9	-52.1	174.3	-165.2	-178.2	-69.7	128.8	8.5	111.6	S534 I539 R540 D548 V551 Y572 D573	S534-R536 PolarHBondContact O-N 3.31Å; R536-I539 PolarHBondContact O-N 2.98Å; R536-R540 WeakPolarHBondContact O-CB 3.35Å; R536-R540 PolarHBondContact O-N 3.32Å; R536-D548 WeakPolarHBondContact CD-OD1 3.49Å; R536-V551 HydrophobicContact CG-CG1 4.14Å; R536-Y572 PolarHBondContact N-O 3.23Å; R536-D573 IonicContact CZ-OD1 2.82Å; R536-D573 VanDerWaalsContact CZ-OD1 3.28Å; R536-D573 IonicContact CZ-OD2 3.97Å; R536-D573 IonicContact NH1-OD1 2.65Å; R536-D573 PolarHBondContact NH1-OD1 2.93Å; R536-D573 IonicContact NH1-OD2 2.96Å; R536-D573 PolarHBondContact NH1-OD2 3.2Å; R536-D573 IonicContact NH2-OD1 2.8Å; R536-D573 PolarHBondContact NH2-OD1 3.11Å; R536-D573 IonicContact NH2-OD2 3.79Å; R536-D573 PolarHBondContact NH2-OD2 3.28Å
537	E	93.8	Very high	90.6	Very high	80 Å²	80	58.5 Å²	58.5	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-65.4	-40.3	179	-72.8	163.4	148.1	0	0	112.1	A533 S534 I535 I539 R540 F541	A533-E537 HydrophobicContact CB-CB 4.07Å; S534-E537 PolarHBondContact N-OE2 3.17Å; S534-E537 PolarHBondContact O-N 3.39Å; S534-E537 WeakPolarHBondContact OG-CB 3.22Å; S534-E537 WeakPolarHBondContact OG-CG 3.17Å; S534-E537 PolarHBondContact OG-N 3.49Å; S534-E537 VanDerWaalsContact OG-N 3.1Å; S534-E537 PolarHBondContact OG-OE2 3.01Å; I535-E537 PolarHBondContact O-N 2.85Å; E537-I539 VanDerWaalsContact C-N 3.27Å; E537-I539 PolarHBondContact O-N 3.06Å; E537-R540 CarbonylContact O-C 3.56Å; E537-R540 PolarHBondContact O-N 2.78Å; E537-R540 VanDerWaalsContact O-N 3.15Å; E537-F541 HydrophobicContact CB-CZ 4.22Å; E537-F541 WeakPolarHBondContact O-CD1 3.4Å; E537-F541 WeakPolarHBondContact O-CD2 3.42Å; E537-F541 VanDerWaalsContact O-CG 3.28Å; E537-F541 WeakPolarHBondContact O-CG 3.47Å; E537-F541 PolarHBondContact O-N 2.94Å
538	N	93	Very high	91.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-36.6	178.1	-93.7	-78.8	0	0	0	113.3	I530 F531 A533 S534 I535 I594 R598	I530-N538 WeakPolarHBondContact CG2-OD1 3.43Å; F531-N538 PolarHBondContact N-OD1 2.86Å; F531-N538 PolarHBondContact O-ND2 3.26Å; A533-N538 PolarHBondContact O-ND2 3.26Å; S534-N538 WeakPolarHBondContact O-CB 3.43Å; S534-N538 PolarHBondContact O-N 3.04Å; S534-N538 PolarHBondContact O-ND2 3.5Å; I535-N538 PolarHBondContact O-N 3.34Å; N538-I594 HydrophobicContact CB-CG2 4.37Å; N538-R598 PolarHBondContact O-NE 3.17Å; N538-R598 PolarHBondContact O-NH2 3.44Å; N538-R598 PolarHBondContact OD1-NH2 2.95Å
539	I	95.3	Very high	91.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74.8	-44.3	174.3	-62.7	173.2	0	0	0	109.8	I535 R536 E537 F541 G542 V551 A555 I564 Y572 I594 A597 L601	I535-I539 HydrophobicContact CG2-CD1 4Å; I535-I539 HydrophobicContact CG2-CG1 4.45Å; I535-I539 WeakPolarHBondContact O-CG1 3.49Å; I535-I539 PolarHBondContact O-N 2.84Å; R536-I539 PolarHBondContact O-N 2.98Å; E537-I539 VanDerWaalsContact C-N 3.27Å; E537-I539 PolarHBondContact O-N 3.06Å; I539-F541 PolarHBondContact O-N 3.3Å; I539-F541 VanDerWaalsContact O-N 3.15Å; I539-G542 PolarHBondContact O-N 3.29Å; I539-V551 HydrophobicContact CB-CG1 3.98Å; I539-V551 HydrophobicContact CD1-CG1 4.38Å; I539-V551 HydrophobicContact CG2-CG1 3.89Å; I539-A555 HydrophobicContact CD1-CB 4.06Å; I539-I564 HydrophobicContact CD1-CD1 4.35Å; I539-Y572 HydrophobicContact CD1-CE1 4.43Å; I539-I594 HydrophobicContact CG1-CG2 4.02Å; I539-A597 HydrophobicContact CD1-CB 4.06Å; I539-A597 HydrophobicContact CG1-CB 4.13Å; I539-A597 HydrophobicContact CG2-CB 4.08Å; I539-L601 HydrophobicContact CG2-CD2 4.14Å; I539-L601 WeakPolarHBondContact O-CD2 3.43Å
540	R	96	Very high	92.3	Very high	53 Å²	53	59.2 Å²	59.2	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-22.7	177.4	-176.7	167.2	-73.4	137.4	15.1	114	R536 E537 G542 R543 F544 A546 T547 D548 V551	R536-R540 WeakPolarHBondContact O-CB 3.35Å; R536-R540 PolarHBondContact O-N 3.32Å; E537-R540 CarbonylContact O-C 3.56Å; E537-R540 PolarHBondContact O-N 2.78Å; E537-R540 VanDerWaalsContact O-N 3.15Å; R540-G542 PolarHBondContact O-N 2.88Å; R540-R543 CarbonylContact O-C 3.36Å; R540-R543 PolarHBondContact O-N 2.79Å; R540-F544 PolarHBondContact O-N 2.86Å; R540-A546 PolarHBondContact NE-O 2.95Å; R540-A546 PolarHBondContact NH2-O 3.11Å; R540-T547 VanDerWaalsContact NH2-C 3.34Å; R540-T547 PolarHBondContact NH2-O 3.41Å; R540-T547 VanDerWaalsContact NH2-O 3.14Å; R540-D548 IonicContact CZ-OD1 2.76Å; R540-D548 VanDerWaalsContact CZ-OD1 3.23Å; R540-D548 IonicContact NH1-OD1 3.9Å; R540-D548 PolarHBondContact NH1-OD1 2.95Å; R540-D548 IonicContact NH2-OD1 3.64Å; R540-D548 PolarHBondContact NH2-OD1 3.04Å; R540-V551 HydrophobicContact CB-CG2 4.18Å
541	F	92.4	Very high	92.6	Very high	70 Å²	70	58.7 Å²	58.7	31%	0.307	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14	170.2	-61.3	-32.2	0	0	0	114.2	F531 A533 E537 I539 F544	F531-F541 HydrophobicContact CB-CE2 3.87Å; F531-F541 AromaticContact CD2-CD2 3.62Å; F531-F541 HydrophobicContact CD2-CD2 3.62Å; F531-F541 AromaticContact CD2-CE2 3.72Å; F531-F541 HydrophobicContact CD2-CE2 3.72Å; F531-F541 HydrophobicContact CE2-CD2 4.16Å; F531-F541 HydrophobicContact CG-CD2 4.36Å; F531-F541 HydrophobicContact CG-CE2 4.01Å; A533-F541 HydrophobicContact CB-CE2 4.4Å; A533-F541 HydrophobicContact CB-CZ 4.3Å; E537-F541 HydrophobicContact CB-CZ 4.22Å; E537-F541 WeakPolarHBondContact O-CD1 3.4Å; E537-F541 WeakPolarHBondContact O-CD2 3.42Å; E537-F541 VanDerWaalsContact O-CG 3.28Å; E537-F541 WeakPolarHBondContact O-CG 3.47Å; E537-F541 PolarHBondContact O-N 2.94Å; I539-F541 PolarHBondContact O-N 3.3Å; I539-F541 VanDerWaalsContact O-N 3.15Å; F541-F544 HydrophobicContact CD1-CD1 4.41Å; F541-F544 AromaticContact CD1-CE1 3.67Å; F541-F544 HydrophobicContact CD1-CE1 3.67Å; F541-F544 HydrophobicContact CD1-CZ 4.26Å; F541-F544 HydrophobicContact CE1-CE1 4.26Å
542	G	89.9	Confident	93	Very high	11 Å²	11	56.4 Å²	56.4	11%	0.113	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-36.2	168.7	0	0	0	0	0	112.9	I539 R540 R598 K602	I539-G542 PolarHBondContact O-N 3.29Å; R540-G542 PolarHBondContact O-N 2.88Å; G542-R598 WeakPolarHBondContact CA-O 3.19Å; G542-K602 WeakPolarHBondContact O-CB 3.22Å; G542-K602 WeakPolarHBondContact O-CG 3.43Å
543	R	91.6	Very high	93.4	Very high	82 Å²	82	56.8 Å²	56.8	31%	0.309	27%	0.272	S	S	.	.			trans	-156.8	107.3	177.1	-178	174.4	70.1	176.6	2.1	109.7	R540 D545 A546 E550 L601	R540-R543 CarbonylContact O-C 3.36Å; R540-R543 PolarHBondContact O-N 2.79Å; R543-D545 VanDerWaalsContact C-N 3.28Å; R543-D545 WeakPolarHBondContact CG-OD1 3.4Å; R543-D545 PolarHBondContact O-N 2.9Å; R543-A546 HydrophobicContact CB-CB 4.31Å; R543-A546 HydrophobicContact CG-CB 4.46Å; R543-A546 WeakPolarHBondContact O-CB 3.4Å; R543-A546 PolarHBondContact O-N 3.02Å; R543-E550 IonicContact CZ-OE1 2.69Å; R543-E550 IonicContact CZ-OE2 3.08Å; R543-E550 IonicContact NH2-OE1 2.84Å; R543-E550 PolarHBondContact NH2-OE1 2.97Å; R543-E550 IonicContact NH2-OE2 2.64Å; R543-E550 PolarHBondContact NH2-OE2 3.43Å; R543-L601 HydrophobicContact CB-CD2 4.44Å; R543-L601 HydrophobicContact CB-CG 4.23Å
544	F	90.1	Very high	93.6	Very high	159 Å²	159	56.5 Å²	56.5	70%	0.697	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29	-169.5	-70.7	-81	0	0	0	114.7	R540 F541 A546	R540-F544 PolarHBondContact O-N 2.86Å; F541-F544 HydrophobicContact CD1-CD1 4.41Å; F541-F544 AromaticContact CD1-CE1 3.67Å; F541-F544 HydrophobicContact CD1-CE1 3.67Å; F541-F544 HydrophobicContact CD1-CZ 4.26Å; F541-F544 HydrophobicContact CE1-CE1 4.26Å; F544-A546 VanDerWaalsContact C-N 3.31Å
545	D	90.6	Very high	93.8	Very high	133 Å²	133	56 Å²	56	71%	0.711	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-0	177.6	56.4	-47.4	0	0	0	113.6	R543	R543-D545 VanDerWaalsContact C-N 3.28Å; R543-D545 WeakPolarHBondContact CG-OD1 3.4Å; R543-D545 PolarHBondContact O-N 2.9Å
546	A	92.6	Very high	94	Very high	4 Å²	4	61.1 Å²	61.1	3%	0.033	29%	0.288	C	S	.	.			trans	-66.5	134.7	179.5	0	0	0	0	0	112.6	R540 R543 F544 E550 V551 L601	R540-A546 PolarHBondContact NE-O 2.95Å; R540-A546 PolarHBondContact NH2-O 3.11Å; R543-A546 HydrophobicContact CB-CB 4.31Å; R543-A546 HydrophobicContact CG-CB 4.46Å; R543-A546 WeakPolarHBondContact O-CB 3.4Å; R543-A546 PolarHBondContact O-N 3.02Å; F544-A546 VanDerWaalsContact C-N 3.31Å; A546-E550 VanDerWaalsContact CA-OE2 3.3Å; A546-E550 WeakPolarHBondContact CA-OE2 3.41Å; A546-E550 HydrophobicContact CB-CB 4.47Å; A546-V551 HydrophobicContact CB-CG2 4.4Å; A546-L601 HydrophobicContact CB-CD1 3.83Å; A546-L601 HydrophobicContact CB-CD2 3.73Å; A546-L601 HydrophobicContact CB-CG 4.04Å
547	T	94.8	Very high	93.9	Very high	66 Å²	66	62.8 Å²	62.8	41%	0.405	30%	0.301	S	S	.	.			trans	-66.1	167.2	174.5	59	0	0	0	0	111.9	R540 E549 E550 V551	R540-T547 VanDerWaalsContact NH2-C 3.34Å; R540-T547 PolarHBondContact NH2-O 3.41Å; R540-T547 VanDerWaalsContact NH2-O 3.14Å; T547-E549 VanDerWaalsContact C-N 3.27Å; T547-E549 VanDerWaalsContact CB-OE2 3.32Å; T547-E549 WeakPolarHBondContact CB-OE2 3.45Å; T547-E550 PolarHBondContact N-OE2 3.2Å; T547-E550 WeakPolarHBondContact OG1-CG 3.27Å; T547-E550 PolarHBondContact OG1-N 3.34Å; T547-E550 PolarHBondContact OG1-OE2 2.93Å; T547-E550 VanDerWaalsContact OG1-OE2 3.09Å; T547-V551 WeakPolarHBondContact O-CG2 3.44Å; T547-V551 PolarHBondContact O-N 2.91Å
548	D	94.5	Very high	93.9	Very high	73 Å²	73	59 Å²	59	39%	0.39	28%	0.283	S	S	.	.	H	α-helix	trans	-66.6	-34.9	176.8	-74.7	-15.9	0	0	0	110.5	R536 R540 V551 E552	R536-D548 WeakPolarHBondContact CD-OD1 3.49Å; R540-D548 IonicContact CZ-OD1 2.76Å; R540-D548 VanDerWaalsContact CZ-OD1 3.23Å; R540-D548 IonicContact NH1-OD1 3.9Å; R540-D548 PolarHBondContact NH1-OD1 2.95Å; R540-D548 IonicContact NH2-OD1 3.64Å; R540-D548 PolarHBondContact NH2-OD1 3.04Å; D548-V551 WeakPolarHBondContact O-CB 3.48Å; D548-V551 PolarHBondContact O-N 3.46Å; D548-E552 PolarHBondContact O-N 2.65Å
549	E	95.6	Very high	93.9	Very high	126 Å²	126	63.5 Å²	63.5	59%	0.589	30%	0.301	S	S	*	.	H	α-helix	trans	-63	-47.2	178.1	-62.6	80	-176	0	0	111.8	T547 V551 E552 E553	T547-E549 VanDerWaalsContact C-N 3.27Å; T547-E549 VanDerWaalsContact CB-OE2 3.32Å; T547-E549 WeakPolarHBondContact CB-OE2 3.45Å; E549-V551 VanDerWaalsContact C-N 3.27Å; E549-V551 PolarHBondContact O-N 2.81Å; E549-E552 PolarHBondContact O-N 2.86Å; E549-E552 VanDerWaalsContact O-N 3.15Å; E549-E553 WeakPolarHBondContact O-CG 3.36Å; E549-E553 PolarHBondContact O-N 3.09Å
550	E	95.2	Very high	93.7	Very high	63 Å²	63	63.5 Å²	63.5	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-32.9	177.9	-69.6	170.1	135.5	0	0	112.2	R543 A546 T547 E553 A554 L601	R543-E550 IonicContact CZ-OE1 2.69Å; R543-E550 IonicContact CZ-OE2 3.08Å; R543-E550 IonicContact NH2-OE1 2.84Å; R543-E550 PolarHBondContact NH2-OE1 2.97Å; R543-E550 IonicContact NH2-OE2 2.64Å; R543-E550 PolarHBondContact NH2-OE2 3.43Å; A546-E550 VanDerWaalsContact CA-OE2 3.3Å; A546-E550 WeakPolarHBondContact CA-OE2 3.41Å; A546-E550 HydrophobicContact CB-CB 4.47Å; T547-E550 PolarHBondContact N-OE2 3.2Å; T547-E550 WeakPolarHBondContact OG1-CG 3.27Å; T547-E550 PolarHBondContact OG1-N 3.34Å; T547-E550 PolarHBondContact OG1-OE2 2.93Å; T547-E550 VanDerWaalsContact OG1-OE2 3.09Å; E550-E553 PolarHBondContact O-N 3.16Å; E550-A554 WeakPolarHBondContact O-CB 3.42Å; E550-A554 PolarHBondContact O-N 3.2Å; E550-L601 HydrophobicContact CB-CD1 3.89Å; E550-L601 WeakPolarHBondContact O-CD1 3.48Å
551	V	95.8	Very high	93.7	Very high	1 Å²	1	63 Å²	63	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-42.3	174.1	167.2	0	0	0	0	110.9	R536 I539 R540 A546 T547 D548 E549 A555 L601	R536-V551 HydrophobicContact CG-CG1 4.14Å; I539-V551 HydrophobicContact CB-CG1 3.98Å; I539-V551 HydrophobicContact CD1-CG1 4.38Å; I539-V551 HydrophobicContact CG2-CG1 3.89Å; R540-V551 HydrophobicContact CB-CG2 4.18Å; A546-V551 HydrophobicContact CB-CG2 4.4Å; T547-V551 WeakPolarHBondContact O-CG2 3.44Å; T547-V551 PolarHBondContact O-N 2.91Å; D548-V551 WeakPolarHBondContact O-CB 3.48Å; D548-V551 PolarHBondContact O-N 3.46Å; E549-V551 VanDerWaalsContact C-N 3.27Å; E549-V551 PolarHBondContact O-N 2.81Å; V551-A555 WeakPolarHBondContact O-CB 3.42Å; V551-A555 PolarHBondContact O-N 3.02Å; V551-L601 HydrophobicContact CG2-CD2 3.94Å
552	E	96	Very high	93.6	Very high	72 Å²	72	64.2 Å²	64.2	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-41.3	175.4	-70.6	-170.7	-176.1	0	0	112.4	D548 E549 A555 K556 Y572	D548-E552 PolarHBondContact O-N 2.65Å; E549-E552 PolarHBondContact O-N 2.86Å; E549-E552 VanDerWaalsContact O-N 3.15Å; E552-A555 WeakPolarHBondContact O-CB 3.45Å; E552-A555 PolarHBondContact O-N 3.28Å; E552-K556 WeakPolarHBondContact O-CG 3.31Å; E552-K556 PolarHBondContact O-N 2.99Å; E552-Y572 HydrophobicContact CG-CE1 4.4Å; E552-Y572 HydrophobicContact CG-CE2 4.11Å
553	E	95.4	Very high	93.6	Very high	120 Å²	120	64.1 Å²	64.1	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-60.8	-46.4	175.7	-73.6	-177.4	173.8	0	0	111.8	E549 E550 A555 K556 L557	E549-E553 WeakPolarHBondContact O-CG 3.36Å; E549-E553 PolarHBondContact O-N 3.09Å; E550-E553 PolarHBondContact O-N 3.16Å; E553-A555 VanDerWaalsContact C-N 3.28Å; E553-A555 PolarHBondContact O-N 2.78Å; E553-K556 PolarHBondContact O-N 2.88Å; E553-K556 VanDerWaalsContact O-N 3.17Å; E553-L557 WeakPolarHBondContact O-CG 3.28Å; E553-L557 PolarHBondContact O-N 2.98Å
554	A	94.9	Very high	93.6	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-38.5	175.3	0	0	0	0	0	111.9	E550 A558 L600 L601	E550-A554 WeakPolarHBondContact O-CB 3.42Å; E550-A554 PolarHBondContact O-N 3.2Å; A554-A558 WeakPolarHBondContact O-CB 3.42Å; A554-A558 PolarHBondContact O-N 2.77Å; A554-A558 VanDerWaalsContact O-N 3.11Å; A554-L600 HydrophobicContact CB-CB 4.43Å; A554-L601 HydrophobicContact CB-CB 3.89Å; A554-L601 HydrophobicContact CB-CD1 4.14Å
555	A	95.3	Very high	93.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.4	-36.4	175.2	0	0	0	0	0	112.9	I539 V551 E552 E553 A558 Y559 A560 H561 I564 Y572	I539-A555 HydrophobicContact CD1-CB 4.06Å; V551-A555 WeakPolarHBondContact O-CB 3.42Å; V551-A555 PolarHBondContact O-N 3.02Å; E552-A555 WeakPolarHBondContact O-CB 3.45Å; E552-A555 PolarHBondContact O-N 3.28Å; E553-A555 VanDerWaalsContact C-N 3.28Å; E553-A555 PolarHBondContact O-N 2.78Å; A555-A558 PolarHBondContact O-N 2.87Å; A555-Y559 PolarHBondContact O-N 3.01Å; A555-A560 HydrophobicContact CB-CB 4.33Å; A555-A560 WeakPolarHBondContact O-CA 3.04Å; A555-A560 WeakPolarHBondContact O-CB 3.46Å; A555-A560 PolarHBondContact O-N 3.21Å; A555-H561 PolarHBondContact O-N 2.7Å; A555-I564 HydrophobicContact CB-CD1 4.46Å; A555-Y572 HydrophobicContact CB-CE1 3.91Å; A555-Y572 VanDerWaalsContact CB-OH 3.22Å; A555-Y572 WeakPolarHBondContact CB-OH 3.43Å
556	K	95.8	Very high	93.7	Very high	107 Å²	107	54.5 Å²	54.5	47%	0.465	27%	0.273	S	S	.	.	H	α-helix	trans	-65.5	-46.9	174.4	-73.2	170.2	-173.6	167.6	0	111	E552 E553 A558 Y559 H561	E552-K556 WeakPolarHBondContact O-CG 3.31Å; E552-K556 PolarHBondContact O-N 2.99Å; E553-K556 PolarHBondContact O-N 2.88Å; E553-K556 VanDerWaalsContact O-N 3.17Å; K556-A558 PolarHBondContact O-N 3.36Å; K556-Y559 PolarHBondContact O-N 2.96Å; K556-H561 HydrophobicContact CB-CB 4.39Å; K556-H561 HydrophobicContact CG-CB 3.6Å
557	L	93.6	Very high	93.5	Very high	93 Å²	93	59.7 Å²	59.7	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-28.1	177.2	-70.6	174.8	0	0	0	113.2	E553 L600 N630	E553-L557 WeakPolarHBondContact O-CG 3.28Å; E553-L557 PolarHBondContact O-N 2.98Å; L557-L600 HydrophobicContact CB-CD1 3.73Å; L557-N630 PolarHBondContact O-ND2 2.88Å
558	A	92.8	Very high	93.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.7	175.3	0	0	0	0	0	114.5	A554 A555 K556 A560 R593 I596 A597 L600 A627	A554-A558 WeakPolarHBondContact O-CB 3.42Å; A554-A558 PolarHBondContact O-N 2.77Å; A554-A558 VanDerWaalsContact O-N 3.11Å; A555-A558 PolarHBondContact O-N 2.87Å; K556-A558 PolarHBondContact O-N 3.36Å; A558-A560 HydrophobicContact CB-CB 4.37Å; A558-A560 PolarHBondContact O-N 3.48Å; A558-R593 WeakPolarHBondContact CB-O 3.4Å; A558-R593 WeakPolarHBondContact O-CD 3.4Å; A558-R593 WeakPolarHBondContact O-CG 3.09Å; A558-I596 HydrophobicContact CB-CB 4.35Å; A558-I596 HydrophobicContact CB-CG2 4.17Å; A558-A597 HydrophobicContact CB-CB 3.7Å; A558-L600 HydrophobicContact CB-CD1 4.02Å; A558-A627 WeakPolarHBondContact O-CB 3.13Å
559	Y	93.2	Very high	92.7	Very high	96 Å²	96	58.9 Å²	58.9	38%	0.376	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	30.6	-172.6	-59.2	-89.5	0	0	0	113.3	A555 K556 R593 N626 A627	A555-Y559 PolarHBondContact O-N 3.01Å; K556-Y559 PolarHBondContact O-N 2.96Å; Y559-R593 VanDerWaalsContact O-CD 3.3Å; Y559-R593 WeakPolarHBondContact O-CD 3.34Å; Y559-R593 PolarHBondContact O-NE 3.17Å; Y559-N626 HydrophobicContact CD2-CB 4.2Å; Y559-N626 HydrophobicContact CE2-CB 3.59Å; Y559-A627 HydrophobicContact CD2-CB 4.12Å
560	A	92.3	Very high	92.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.303	C	S	.	.			trans	-95.2	-28.3	178.3	0	0	0	0	0	112.6	A555 A558 D562 F563 I564 R593	A555-A560 HydrophobicContact CB-CB 4.33Å; A555-A560 WeakPolarHBondContact O-CA 3.04Å; A555-A560 WeakPolarHBondContact O-CB 3.46Å; A555-A560 PolarHBondContact O-N 3.21Å; A558-A560 HydrophobicContact CB-CB 4.37Å; A558-A560 PolarHBondContact O-N 3.48Å; A560-D562 VanDerWaalsContact C-N 3.32Å; A560-D562 PolarHBondContact O-N 3.38Å; A560-F563 VanDerWaalsContact CA-CE1 3.45Å; A560-F563 HydrophobicContact CB-CD1 4.35Å; A560-F563 HydrophobicContact CB-CE1 3.66Å; A560-F563 HydrophobicContact CB-CZ 4.41Å; A560-F563 WeakPolarHBondContact O-CD1 3.18Å; A560-F563 WeakPolarHBondContact O-CE1 3.3Å; A560-F563 PolarHBondContact O-N 3.48Å; A560-I564 HydrophobicContact CB-CD1 3.73Å; A560-I564 WeakPolarHBondContact O-CB 3.35Å; A560-I564 WeakPolarHBondContact O-CD1 3.5Å; A560-I564 WeakPolarHBondContact O-CG1 3.32Å; A560-I564 PolarHBondContact O-N 3.38Å; A560-R593 HydrophobicContact CB-CB 4.09Å
561	H	94.3	Very high	92.2	Very high	42 Å²	42	59 Å²	59	19%	0.194	30%	0.297	C	S	.	.	H	α-helix	trans	-53.3	-44.2	-174.7	-179.2	71.9	0	0	0	113.9	A555 K556 I564 S565 Y572	A555-H561 PolarHBondContact O-N 2.7Å; K556-H561 HydrophobicContact CB-CB 4.39Å; K556-H561 HydrophobicContact CG-CB 3.6Å; H561-I564 PolarHBondContact O-N 3.48Å; H561-S565 PolarHBondContact CE1-OG 2.87Å; H561-S565 VanDerWaalsContact O-CB 3.32Å; H561-S565 WeakPolarHBondContact O-CB 3.24Å; H561-S565 PolarHBondContact O-N 2.85Å; H561-S565 PolarHBondContact O-OG 3.34Å; H561-Y572 AromaticContact ND1-CE2 3.72Å; H561-Y572 AromaticContact ND1-CZ 3.7Å; H561-Y572 PolarHBondContact ND1-OH 2.99Å
562	D	91.6	Very high	92	Very high	96 Å²	96	59.6 Å²	59.6	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-49.2	-174	-58.3	-24	0	0	0	112	A560 I564 S565 N566	A560-D562 VanDerWaalsContact C-N 3.32Å; A560-D562 PolarHBondContact O-N 3.38Å; D562-I564 VanDerWaalsContact C-N 3.31Å; D562-I564 PolarHBondContact O-N 3.13Å; D562-S565 PolarHBondContact O-N 3.41Å; D562-N566 WeakPolarHBondContact O-CB 3.46Å; D562-N566 VanDerWaalsContact O-CG 3.29Å; D562-N566 PolarHBondContact O-N 3.49Å; D562-N566 PolarHBondContact O-ND2 3.27Å; D562-N566 VanDerWaalsContact O-ND2 3.17Å
563	F	90	Very high	91.8	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-33.9	179.6	86.7	-99.1	0	0	0	111.1	A560 D567 L568 L586 Q590 R593 I594	A560-F563 VanDerWaalsContact CA-CE1 3.45Å; A560-F563 HydrophobicContact CB-CD1 4.35Å; A560-F563 HydrophobicContact CB-CE1 3.66Å; A560-F563 HydrophobicContact CB-CZ 4.41Å; A560-F563 WeakPolarHBondContact O-CD1 3.18Å; A560-F563 WeakPolarHBondContact O-CE1 3.3Å; A560-F563 PolarHBondContact O-N 3.48Å; F563-D567 VanDerWaalsContact CA-OD2 3.32Å; F563-D567 WeakPolarHBondContact CA-OD2 3.37Å; F563-D567 VanDerWaalsContact CB-OD2 3.3Å; F563-D567 WeakPolarHBondContact CB-OD2 3.38Å; F563-D567 WeakPolarHBondContact O-CB 3.21Å; F563-D567 PolarHBondContact O-N 2.98Å; F563-D567 VanDerWaalsContact O-N 3.1Å; F563-L568 HydrophobicContact CD2-CD1 4.42Å; F563-L568 HydrophobicContact CE2-CD1 4.28Å; F563-L568 PolarHBondContact O-N 3.01Å; F563-L586 HydrophobicContact CE2-CD2 4.15Å; F563-Q590 HydrophobicContact CD1-CG 4.27Å; F563-Q590 HydrophobicContact CD2-CB 4.4Å; F563-Q590 HydrophobicContact CD2-CG 3.77Å; F563-Q590 HydrophobicContact CE1-CB 4.28Å; F563-Q590 HydrophobicContact CE1-CG 4.16Å; F563-Q590 HydrophobicContact CE2-CB 3.8Å; F563-Q590 HydrophobicContact CE2-CG 3.68Å; F563-Q590 HydrophobicContact CG-CG 4.07Å; F563-Q590 HydrophobicContact CZ-CB 3.72Å; F563-Q590 HydrophobicContact CZ-CG 3.88Å; F563-R593 HydrophobicContact CE1-CB 4.33Å; F563-I594 HydrophobicContact CE2-CD1 4.49Å; F563-I594 HydrophobicContact CZ-CD1 3.98Å; F563-I594 HydrophobicContact CZ-CG1 3.95Å
564	I	92.2	Very high	91.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-47.8	177.1	-68.5	165.9	0	0	0	109.4	I535 I539 A555 A560 H561 D562 L568 G571 Y572	I535-I564 HydrophobicContact CD1-CG1 4.31Å; I535-I564 HydrophobicContact CG2-CD1 3.65Å; I535-I564 HydrophobicContact CG2-CG1 4.1Å; I535-I564 HydrophobicContact CG2-CG2 4.44Å; I539-I564 HydrophobicContact CD1-CD1 4.35Å; A555-I564 HydrophobicContact CB-CD1 4.46Å; A560-I564 HydrophobicContact CB-CD1 3.73Å; A560-I564 WeakPolarHBondContact O-CB 3.35Å; A560-I564 WeakPolarHBondContact O-CD1 3.5Å; A560-I564 WeakPolarHBondContact O-CG1 3.32Å; A560-I564 PolarHBondContact O-N 3.38Å; H561-I564 PolarHBondContact O-N 3.48Å; D562-I564 VanDerWaalsContact C-N 3.31Å; D562-I564 PolarHBondContact O-N 3.13Å; I564-L568 WeakPolarHBondContact O-CB 3.44Å; I564-G571 CarbonylContact O-C 3.53Å; I564-G571 WeakPolarHBondContact O-CA 3.44Å; I564-Y572 HydrophobicContact CD1-CE1 4.09Å; I564-Y572 HydrophobicContact CG2-CD1 3.84Å; I564-Y572 HydrophobicContact CG2-CD2 3.73Å; I564-Y572 HydrophobicContact CG2-CE1 4.03Å; I564-Y572 HydrophobicContact CG2-CE2 3.89Å; I564-Y572 HydrophobicContact CG2-CG 3.69Å
565	S	91.9	Very high	91.3	Very high	48 Å²	48	59.6 Å²	59.6	34%	0.336	30%	0.304	S	S	.	.	H	α-helix	trans	-80.7	-35.2	-172.7	-51.3	0	0	0	0	113.5	H561 D562	H561-S565 PolarHBondContact CE1-OG 2.87Å; H561-S565 VanDerWaalsContact O-CB 3.32Å; H561-S565 WeakPolarHBondContact O-CB 3.24Å; H561-S565 PolarHBondContact O-N 2.85Å; H561-S565 PolarHBondContact O-OG 3.34Å; D562-S565 PolarHBondContact O-N 3.41Å
566	N	90.1	Very high	90.9	Very high	125 Å²	125	59.6 Å²	59.6	67%	0.668	31%	0.305	S	S	*	.	H	α-helix	trans	-98.6	-37.3	-171.8	-58.1	-33.7	0	0	0	113.3	D562	D562-N566 WeakPolarHBondContact O-CB 3.46Å; D562-N566 VanDerWaalsContact O-CG 3.29Å; D562-N566 PolarHBondContact O-N 3.49Å; D562-N566 PolarHBondContact O-ND2 3.27Å; D562-N566 VanDerWaalsContact O-ND2 3.17Å
567	D	87.8	Confident	90.1	Very high	113 Å²	113	55.4 Å²	55.4	60%	0.604	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-20.8	-169.3	-53.7	-28.7	0	0	0	112.8	F563	F563-D567 VanDerWaalsContact CA-OD2 3.32Å; F563-D567 WeakPolarHBondContact CA-OD2 3.37Å; F563-D567 VanDerWaalsContact CB-OD2 3.3Å; F563-D567 WeakPolarHBondContact CB-OD2 3.38Å; F563-D567 WeakPolarHBondContact O-CB 3.21Å; F563-D567 PolarHBondContact O-N 2.98Å; F563-D567 VanDerWaalsContact O-N 3.1Å
568	L	88.5	Confident	88.6	Confident	21 Å²	21	57.5 Å²	57.5	11%	0.11	30%	0.299	C	S	.	.	S	Bend	trans	-97.6	139.6	-178.5	-58.8	179.2	0	0	0	111.9	I535 F563 I564 Y570 G571 T574 A584 L586	I535-L568 HydrophobicContact CD1-CD1 3.12Å; F563-L568 HydrophobicContact CD2-CD1 4.42Å; F563-L568 HydrophobicContact CE2-CD1 4.28Å; F563-L568 PolarHBondContact O-N 3.01Å; I564-L568 WeakPolarHBondContact O-CB 3.44Å; L568-Y570 PolarHBondContact O-N 3.44Å; L568-Y570 VanDerWaalsContact O-N 3.14Å; L568-G571 PolarHBondContact O-N 3.41Å; L568-T574 HydrophobicContact CB-CG2 4.37Å; L568-T574 WeakPolarHBondContact CB-OG1 3.48Å; L568-T574 HydrophobicContact CD1-CG2 4.31Å; L568-A584 HydrophobicContact CD2-CB 4.48Å; L568-L586 HydrophobicContact CD2-CD2 4.43Å
569	P	84.5	Confident	86.8	Confident	100 Å²	100	59.5 Å²	59.5	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.8	-171.8	25	-35.1	0	0	0	114.3
570	Y	88.8	Confident	84.6	Confident	175 Å²	175	62.9 Å²	62.9	69%	0.686	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	20.9	-178.2	-58	-70.7	0	0	0	112.8	L568 Y572 D573 T574	L568-Y570 PolarHBondContact O-N 3.44Å; L568-Y570 VanDerWaalsContact O-N 3.14Å; Y570-Y572 PolarHBondContact O-N 3.44Å; Y570-D573 WeakPolarHBondContact O-CB 3.38Å; Y570-D573 PolarHBondContact O-N 2.96Å; Y570-T574 PolarHBondContact N-OG1 2.97Å
571	G	91.2	Very high	82.4	Confident	16 Å²	16	65.8 Å²	65.8	17%	0.165	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	58.8	-134.2	178.7	0	0	0	0	0	112.3	I564 L568 D573 T574	I564-G571 CarbonylContact O-C 3.53Å; I564-G571 WeakPolarHBondContact O-CA 3.44Å; L568-G571 PolarHBondContact O-N 3.41Å; G571-D573 PolarHBondContact O-N 3.49Å; G571-T574 PolarHBondContact N-OG1 3.39Å; G571-T574 WeakPolarHBondContact O-CB 3.3Å; G571-T574 PolarHBondContact O-N 3.08Å; G571-T574 PolarHBondContact O-OG1 3.35Å
572	Y	92.6	Very high	80.1	Confident	14 Å²	14	65.8 Å²	65.8	6%	0.055	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-63.4	-22.8	174.1	-76.4	-88.1	0	0	0	114.9	I535 R536 I539 E552 A555 H561 I564 Y570 T574	I535-Y572 PolarHBondContact N-O 3.26Å; R536-Y572 PolarHBondContact N-O 3.23Å; I539-Y572 HydrophobicContact CD1-CE1 4.43Å; E552-Y572 HydrophobicContact CG-CE1 4.4Å; E552-Y572 HydrophobicContact CG-CE2 4.11Å; A555-Y572 HydrophobicContact CB-CE1 3.91Å; A555-Y572 VanDerWaalsContact CB-OH 3.22Å; A555-Y572 WeakPolarHBondContact CB-OH 3.43Å; H561-Y572 AromaticContact ND1-CE2 3.72Å; H561-Y572 AromaticContact ND1-CZ 3.7Å; H561-Y572 PolarHBondContact ND1-OH 2.99Å; I564-Y572 HydrophobicContact CD1-CE1 4.09Å; I564-Y572 HydrophobicContact CG2-CD1 3.84Å; I564-Y572 HydrophobicContact CG2-CD2 3.73Å; I564-Y572 HydrophobicContact CG2-CE1 4.03Å; I564-Y572 HydrophobicContact CG2-CE2 3.89Å; I564-Y572 HydrophobicContact CG2-CG 3.69Å; Y570-Y572 PolarHBondContact O-N 3.44Å; Y572-T574 VanDerWaalsContact C-N 3.26Å; Y572-T574 PolarHBondContact O-N 3.29Å
573	D	91.8	Very high	78	Confident	86 Å²	86	69.3 Å²	69.3	46%	0.46	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-84.9	0.9	179.3	-69.1	-58.9	0	0	0	112.9	R536 Y570 G571 L575	R536-D573 IonicContact CZ-OD1 2.82Å; R536-D573 VanDerWaalsContact CZ-OD1 3.28Å; R536-D573 IonicContact CZ-OD2 3.97Å; R536-D573 IonicContact NH1-OD1 2.65Å; R536-D573 PolarHBondContact NH1-OD1 2.93Å; R536-D573 IonicContact NH1-OD2 2.96Å; R536-D573 PolarHBondContact NH1-OD2 3.2Å; R536-D573 IonicContact NH2-OD1 2.8Å; R536-D573 PolarHBondContact NH2-OD1 3.11Å; R536-D573 IonicContact NH2-OD2 3.79Å; R536-D573 PolarHBondContact NH2-OD2 3.28Å; Y570-D573 WeakPolarHBondContact O-CB 3.38Å; Y570-D573 PolarHBondContact O-N 2.96Å; G571-D573 PolarHBondContact O-N 3.49Å; D573-L575 PolarHBondContact O-N 3.17Å
574	T	90.6	Very high	76.3	Confident	6 Å²	6	70 Å²	70	4%	0.037	41%	0.408	C	S	.	.			trans	-62.2	121.7	175.6	-55.3	0	0	0	0	110.4	S534 I535 L568 Y570 G571 Y572 V576 A584	S534-T574 WeakPolarHBondContact CA-O 3.44Å; I535-T574 PolarHBondContact N-O 3.49Å; I535-T574 VanDerWaalsContact N-O 3.13Å; L568-T574 HydrophobicContact CB-CG2 4.37Å; L568-T574 WeakPolarHBondContact CB-OG1 3.48Å; L568-T574 HydrophobicContact CD1-CG2 4.31Å; Y570-T574 PolarHBondContact N-OG1 2.97Å; G571-T574 PolarHBondContact N-OG1 3.39Å; G571-T574 WeakPolarHBondContact O-CB 3.3Å; G571-T574 PolarHBondContact O-N 3.08Å; G571-T574 PolarHBondContact O-OG1 3.35Å; Y572-T574 VanDerWaalsContact C-N 3.26Å; Y572-T574 PolarHBondContact O-N 3.29Å; T574-V576 HydrophobicContact CG2-CG1 4.35Å; T574-V576 PolarHBondContact O-N 3.05Å; T574-A584 HydrophobicContact CG2-CB 4.08Å
575	L	88.6	Confident	75.3	Confident	105 Å²	105	73.8 Å²	73.8	55%	0.55	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.3	175.6	-66.5	173.6	0	0	0	110.6	D573	D573-L575 PolarHBondContact O-N 3.17Å
576	V	87.5	Confident	74.7	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.006	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.2	-177.6	-67.7	0	0	0	0	109.9	I530 F531 N532 A533 I535 T574 A584 L586	I530-V576 HydrophobicContact CG2-CB 4.01Å; I530-V576 HydrophobicContact CG2-CG2 3.43Å; I530-V576 VanDerWaalsContact CG2-CG2 3.43Å; F531-V576 CarbonylContact C-O 3.54Å; N532-V576 WeakPolarHBondContact CA-O 3.44Å; A533-V576 PolarHBondContact N-O 3.01Å; A533-V576 VanDerWaalsContact N-O 3.09Å; A533-V576 WeakPolarHBondContact O-CG2 3.5Å; A533-V576 PolarHBondContact O-N 3.04Å; I535-V576 HydrophobicContact CD1-CG1 3.97Å; I535-V576 HydrophobicContact CG1-CB 4.4Å; I535-V576 HydrophobicContact CG1-CG1 3.76Å; I535-V576 HydrophobicContact CG1-CG2 3.68Å; T574-V576 HydrophobicContact CG2-CG1 4.35Å; T574-V576 PolarHBondContact O-N 3.05Å; V576-A584 HydrophobicContact CG1-CB 4.27Å; V576-L586 HydrophobicContact CB-CD1 4.04Å; V576-L586 HydrophobicContact CG1-CD1 3.78Å; V576-L586 HydrophobicContact CG1-CD2 4.38Å; V576-L586 HydrophobicContact CG1-CG 4.04Å
577	G	78.1	Confident	74.4	Confident	18 Å²	18	68.4 Å²	68.4	19%	0.186	42%	0.417	C	S	.	.			trans	146.4	163.5	174.6	0	0	0	0	0	113.8	I530 T582	I530-G577 WeakPolarHBondContact O-CA 3.42Å; G577-T582 PolarHBondContact O-OG1 3.25Å
578	Q	63.3	Low	74.2	Confident	138 Å²	138	64.5 Å²	64.5	65%	0.645	40%	0.404	S	S	*	.	S	Bend	trans	-86	112.4	177.1	-64.8	-172.9	0.3	0	0	110.7
579	G	54.3	Low	74.1	Confident	41 Å²	41	63.5 Å²	63.5	42%	0.423	40%	0.399	S	S	.	.	S	Bend	trans	163.7	87.3	177.5	0	0	0	0	0	112.1	G581	G579-G581 PolarHBondContact O-N 3.47Å
580	T	46.3	Very low	74.3	Confident	167 Å²	167	60.4 Å²	60.4	100%	1.025	38%	0.376	S	S	*	.	S	Bend	trans	39.4	12.4	157.8	38.2	0	0	0	0	122
581	G	47.1	Very low	74.3	Confident	62 Å²	62	56.2 Å²	56.2	64%	0.639	36%	0.359	S	S	*	.			trans	-171.5	0.6	177.4	0	0	0	0	0	118	G579 I583	G579-G581 PolarHBondContact O-N 3.47Å; G581-I583 PolarHBondContact O-N 3.09Å
582	T	44.6	Very low	74.2	Confident	42 Å²	42	55.8 Å²	55.8	26%	0.258	35%	0.352	S	S	.	.			trans	-80	121.6	176.5	34.2	0	0	0	0	111.1	G577 A584	G577-T582 PolarHBondContact O-OG1 3.25Å; T582-A584 VanDerWaalsContact C-N 3.34Å; T582-A584 PolarHBondContact O-N 3.19Å
583	I	47.7	Very low	74.1	Confident	169 Å²	169	55.7 Å²	55.7	87%	0.867	35%	0.352	S	S	*	.	S	Bend	trans	-71.2	-19	-162.9	-69.9	162.3	0	0	0	114	G581 G585	G581-I583 PolarHBondContact O-N 3.09Å; I583-G585 PolarHBondContact O-N 3.36Å
584	A	55	Low	74.2	Confident	24 Å²	24	51.6 Å²	51.6	20%	0.198	33%	0.33	C	S	.	.			trans	-97.2	92.2	179.7	0	0	0	0	0	110.5	L568 T574 V576 T582 L586	L568-A584 HydrophobicContact CD2-CB 4.48Å; T574-A584 HydrophobicContact CG2-CB 4.08Å; V576-A584 HydrophobicContact CG1-CB 4.27Å; T582-A584 VanDerWaalsContact C-N 3.34Å; T582-A584 PolarHBondContact O-N 3.19Å; A584-L586 PolarHBondContact O-N 3.15Å
585	G	70.1	Confident	74.2	Confident	79 Å²	79	51.7 Å²	51.7	81%	0.814	33%	0.332	S	S	*	.			trans	-65.4	80.8	163.4	0	0	0	0	0	109.7	I583 S587	I583-G585 PolarHBondContact O-N 3.36Å; G585-S587 PolarHBondContact O-N 2.92Å
586	L	80.8	Confident	74.4	Confident	13 Å²	13	46.7 Å²	46.7	7%	0.068	31%	0.306	C	S	.	.			trans	-55.8	139.8	175.8	-69.7	176.5	0	0	0	109.5	F563 L568 V576 A584 Q590 R591 I594	F563-L586 HydrophobicContact CE2-CD2 4.15Å; L568-L586 HydrophobicContact CD2-CD2 4.43Å; V576-L586 HydrophobicContact CB-CD1 4.04Å; V576-L586 HydrophobicContact CG1-CD1 3.78Å; V576-L586 HydrophobicContact CG1-CD2 4.38Å; V576-L586 HydrophobicContact CG1-CG 4.04Å; A584-L586 PolarHBondContact O-N 3.15Å; L586-Q590 HydrophobicContact CB-CB 4.29Å; L586-Q590 HydrophobicContact CD2-CB 4.19Å; L586-R591 HydrophobicContact CB-CG 3.75Å; L586-R591 HydrophobicContact CD1-CG 4.07Å; L586-R591 PolarHBondContact O-NH1 3.01Å; L586-I594 HydrophobicContact CD1-CD1 3.66Å
587	S	83.7	Confident	74.8	Confident	46 Å²	46	46.7 Å²	46.7	32%	0.322	31%	0.305	S	S	.	.			trans	-66.8	162.2	171.1	79.6	0	0	0	0	110.9	G585 G589 Q590 R591	G585-S587 PolarHBondContact O-N 2.92Å; S587-G589 VanDerWaalsContact C-N 3.27Å; S587-G589 PolarHBondContact O-N 2.96Å; S587-Q590 PolarHBondContact O-N 3.43Å; S587-Q590 WeakPolarHBondContact OG-CG 3.39Å; S587-Q590 PolarHBondContact OG-N 3.32Å; S587-R591 PolarHBondContact O-N 2.64Å
588	G	83.1	Confident	75.5	Confident	31 Å²	31	47.9 Å²	47.9	32%	0.32	30%	0.304	S	S	.	.	H	α-helix	trans	-53.8	-45.4	174.1	0	0	0	0	0	112.1	Q590 R591 Q592	G588-Q590 PolarHBondContact O-N 3.31Å; G588-R591 PolarHBondContact O-N 3.43Å; G588-Q592 PolarHBondContact O-N 3.01Å; G588-Q592 VanDerWaalsContact O-N 3.09Å
589	G	86	Confident	76.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-36.7	179.8	0	0	0	0	0	113.5	S587 Q592 R593	S587-G589 VanDerWaalsContact C-N 3.27Å; S587-G589 PolarHBondContact O-N 2.96Å; G589-Q592 PolarHBondContact O-N 3.02Å; G589-R593 WeakPolarHBondContact O-CG 3.42Å; G589-R593 PolarHBondContact O-N 3Å
590	Q	88.8	Confident	78.8	Confident	35 Å²	35	40.8 Å²	40.8	16%	0.164	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-46.2	174.8	-73.9	171.6	-17.6	0	0	111.8	F563 L586 S587 G588 Q592 R593 I594	F563-Q590 HydrophobicContact CD1-CG 4.27Å; F563-Q590 HydrophobicContact CD2-CB 4.4Å; F563-Q590 HydrophobicContact CD2-CG 3.77Å; F563-Q590 HydrophobicContact CE1-CB 4.28Å; F563-Q590 HydrophobicContact CE1-CG 4.16Å; F563-Q590 HydrophobicContact CE2-CB 3.8Å; F563-Q590 HydrophobicContact CE2-CG 3.68Å; F563-Q590 HydrophobicContact CG-CG 4.07Å; F563-Q590 HydrophobicContact CZ-CB 3.72Å; F563-Q590 HydrophobicContact CZ-CG 3.88Å; L586-Q590 HydrophobicContact CB-CB 4.29Å; L586-Q590 HydrophobicContact CD2-CB 4.19Å; S587-Q590 PolarHBondContact O-N 3.43Å; S587-Q590 WeakPolarHBondContact OG-CG 3.39Å; S587-Q590 PolarHBondContact OG-N 3.32Å; G588-Q590 PolarHBondContact O-N 3.31Å; Q590-Q592 PolarHBondContact O-N 3.45Å; Q590-R593 PolarHBondContact O-N 2.92Å; Q590-I594 WeakPolarHBondContact O-CG1 3.41Å; Q590-I594 PolarHBondContact O-N 3.39Å; Q590-I594 VanDerWaalsContact O-N 3.08Å
591	R	88.8	Confident	81.1	Confident	87 Å²	87	33.4 Å²	33.4	33%	0.328	22%	0.215	S	C	.	.	H	α-helix	trans	-57	-39.7	175.9	-71.1	-168.3	-67.2	-94.5	3.7	111.5	I530 L586 S587 G588 I594 A595	I530-R591 HydrophobicContact CG1-CB 4.19Å; I530-R591 HydrophobicContact CG1-CG 3.98Å; L586-R591 HydrophobicContact CB-CG 3.75Å; L586-R591 HydrophobicContact CD1-CG 4.07Å; L586-R591 PolarHBondContact O-NH1 3.01Å; S587-R591 PolarHBondContact O-N 2.64Å; G588-R591 PolarHBondContact O-N 3.43Å; R591-I594 PolarHBondContact O-N 3.41Å; R591-A595 PolarHBondContact O-N 2.88Å
592	Q	89.1	Confident	83.2	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-70.8	-42.6	179.5	-166.3	-177.3	-2.8	0	0	113.7	P528 G588 G589 Q590 I594 A595 I596 A612 V624	P528-Q592 HydrophobicContact CG-CB 4.28Å; P528-Q592 HydrophobicContact CG-CG 4.28Å; G588-Q592 PolarHBondContact O-N 3.01Å; G588-Q592 VanDerWaalsContact O-N 3.09Å; G589-Q592 PolarHBondContact O-N 3.02Å; Q590-Q592 PolarHBondContact O-N 3.45Å; Q592-I594 PolarHBondContact O-N 3.38Å; Q592-A595 WeakPolarHBondContact O-CB 3.46Å; Q592-A595 PolarHBondContact O-N 2.89Å; Q592-I596 HydrophobicContact CG-CD1 4.2Å; Q592-I596 WeakPolarHBondContact O-CG1 3.48Å; Q592-I596 PolarHBondContact O-N 2.85Å; Q592-A612 VanDerWaalsContact NE2-C 3.33Å; Q592-A612 PolarHBondContact NE2-O 3.12Å; Q592-A612 PolarHBondContact OE1-O 3.31Å; Q592-V624 VanDerWaalsContact CD-CG1 3.42Å; Q592-V624 HydrophobicContact CG-CG1 4.33Å
593	R	91.6	Very high	85.4	Confident	12 Å²	12	36 Å²	36	5%	0.045	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-36.1	174.1	-70.3	-167.6	-61	-103.5	3.7	111.9	A558 Y559 A560 F563 G589 Q590 I596 A597 V624	A558-R593 WeakPolarHBondContact CB-O 3.4Å; A558-R593 WeakPolarHBondContact O-CD 3.4Å; A558-R593 WeakPolarHBondContact O-CG 3.09Å; Y559-R593 VanDerWaalsContact O-CD 3.3Å; Y559-R593 WeakPolarHBondContact O-CD 3.34Å; Y559-R593 PolarHBondContact O-NE 3.17Å; A560-R593 HydrophobicContact CB-CB 4.09Å; F563-R593 HydrophobicContact CE1-CB 4.33Å; G589-R593 WeakPolarHBondContact O-CG 3.42Å; G589-R593 PolarHBondContact O-N 3Å; Q590-R593 PolarHBondContact O-N 2.92Å; R593-I596 PolarHBondContact O-N 3.09Å; R593-A597 PolarHBondContact O-N 2.8Å; R593-V624 HydrophobicContact CG-CG2 3.8Å
594	I	92.6	Very high	87.5	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-42.4	172.4	-66.3	166.6	0	0	0	111.3	I530 I535 N538 I539 F563 L586 Q590 R591 Q592 A597 R598	I530-I594 HydrophobicContact CD1-CB 4.27Å; I530-I594 HydrophobicContact CD1-CG2 3.88Å; I535-I594 HydrophobicContact CD1-CD1 4.35Å; I535-I594 HydrophobicContact CG1-CD1 4.31Å; I535-I594 HydrophobicContact CG2-CD1 4.18Å; I535-I594 HydrophobicContact CG2-CG1 4.32Å; N538-I594 HydrophobicContact CB-CG2 4.37Å; I539-I594 HydrophobicContact CG1-CG2 4.02Å; F563-I594 HydrophobicContact CE2-CD1 4.49Å; F563-I594 HydrophobicContact CZ-CD1 3.98Å; F563-I594 HydrophobicContact CZ-CG1 3.95Å; L586-I594 HydrophobicContact CD1-CD1 3.66Å; Q590-I594 WeakPolarHBondContact O-CG1 3.41Å; Q590-I594 PolarHBondContact O-N 3.39Å; Q590-I594 VanDerWaalsContact O-N 3.08Å; R591-I594 PolarHBondContact O-N 3.41Å; Q592-I594 PolarHBondContact O-N 3.38Å; I594-A597 WeakPolarHBondContact O-CB 3.33Å; I594-A597 PolarHBondContact O-N 2.96Å; I594-R598 PolarHBondContact O-N 3.09Å
595	A	91.7	Very high	89.2	Confident	9 Å²	9	27.5 Å²	27.5	7%	0.074	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-38.9	176.1	0	0	0	0	0	112.6	P528 R591 Q592 R598 I599	P528-A595 HydrophobicContact CB-CB 3.59Å; P528-A595 HydrophobicContact CG-CB 3.96Å; R591-A595 PolarHBondContact O-N 2.88Å; Q592-A595 WeakPolarHBondContact O-CB 3.46Å; Q592-A595 PolarHBondContact O-N 2.89Å; A595-R598 WeakPolarHBondContact O-CB 3.4Å; A595-R598 PolarHBondContact O-N 3.26Å; A595-I599 WeakPolarHBondContact O-CG1 3.48Å; A595-I599 PolarHBondContact O-N 2.75Å; A595-I599 VanDerWaalsContact O-N 3.15Å
596	I	92.9	Very high	90.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-42.8	174	-64.2	164	0	0	0	110.5	I524 A558 Q592 R593 R598 I599 L600 V624 A627 L628 A631	I524-I596 HydrophobicContact CD1-CG1 3.99Å; A558-I596 HydrophobicContact CB-CB 4.35Å; A558-I596 HydrophobicContact CB-CG2 4.17Å; Q592-I596 HydrophobicContact CG-CD1 4.2Å; Q592-I596 WeakPolarHBondContact O-CG1 3.48Å; Q592-I596 PolarHBondContact O-N 2.85Å; R593-I596 PolarHBondContact O-N 3.09Å; I596-R598 VanDerWaalsContact C-N 3.3Å; I596-R598 PolarHBondContact O-N 3.22Å; I596-I599 PolarHBondContact O-N 3.3Å; I596-I599 VanDerWaalsContact O-N 3.11Å; I596-L600 HydrophobicContact CG2-CD1 3.93Å; I596-L600 HydrophobicContact CG2-CG 4.3Å; I596-L600 WeakPolarHBondContact O-CG 3.29Å; I596-L600 PolarHBondContact O-N 3.25Å; I596-V624 HydrophobicContact CD1-CG1 4.34Å; I596-A627 HydrophobicContact CD1-CB 3.78Å; I596-A627 HydrophobicContact CG2-CB 3.99Å; I596-L628 HydrophobicContact CD1-CD2 3.63Å; I596-L628 HydrophobicContact CD1-CG 3.85Å; I596-L628 HydrophobicContact CG1-CD2 3.93Å; I596-A631 HydrophobicContact CG2-CB 4.05Å
597	A	94.8	Very high	91	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-42.8	174.3	0	0	0	0	0	111.8	I539 A558 R593 I594 I599 L600 L601	I539-A597 HydrophobicContact CD1-CB 4.06Å; I539-A597 HydrophobicContact CG1-CB 4.13Å; I539-A597 HydrophobicContact CG2-CB 4.08Å; A558-A597 HydrophobicContact CB-CB 3.7Å; R593-A597 PolarHBondContact O-N 2.8Å; I594-A597 WeakPolarHBondContact O-CB 3.33Å; I594-A597 PolarHBondContact O-N 2.96Å; A597-I599 VanDerWaalsContact C-N 3.28Å; A597-I599 PolarHBondContact O-N 2.84Å; A597-L600 PolarHBondContact O-N 3.34Å; A597-L601 WeakPolarHBondContact O-CB 3.15Å; A597-L601 PolarHBondContact O-N 3.49Å
598	R	93.8	Very high	91.5	Very high	44 Å²	44	21.1 Å²	21.1	17%	0.166	11%	0.108	C	C	.	.	H	α-helix	trans	-56.6	-41.6	174.9	-172.1	-170.4	-67.6	164.4	1	111.9	N538 G542 I594 A595 I596 K602	N538-R598 PolarHBondContact O-NE 3.17Å; N538-R598 PolarHBondContact O-NH2 3.44Å; N538-R598 PolarHBondContact OD1-NH2 2.95Å; G542-R598 WeakPolarHBondContact CA-O 3.19Å; I594-R598 PolarHBondContact O-N 3.09Å; A595-R598 WeakPolarHBondContact O-CB 3.4Å; A595-R598 PolarHBondContact O-N 3.26Å; I596-R598 VanDerWaalsContact C-N 3.3Å; I596-R598 PolarHBondContact O-N 3.22Å; R598-K602 WeakPolarHBondContact O-CB 3.46Å; R598-K602 PolarHBondContact O-N 3.13Å; R598-K602 VanDerWaalsContact O-N 3.15Å
599	I	92.4	Very high	91.9	Very high	9 Å²	9	19.8 Å²	19.8	5%	0.046	9%	0.094	C	C	.	.	H	α-helix	trans	-75.1	-37.9	179.5	-64.6	-58.3	0	0	0	112.6	I524 A595 I596 A597 L601 K602 N603 L607	I524-I599 HydrophobicContact CD1-CG1 4.26Å; I524-I599 HydrophobicContact CG1-CG1 3.76Å; A595-I599 WeakPolarHBondContact O-CG1 3.48Å; A595-I599 PolarHBondContact O-N 2.75Å; A595-I599 VanDerWaalsContact O-N 3.15Å; I596-I599 PolarHBondContact O-N 3.3Å; I596-I599 VanDerWaalsContact O-N 3.11Å; A597-I599 VanDerWaalsContact C-N 3.28Å; A597-I599 PolarHBondContact O-N 2.84Å; I599-L601 VanDerWaalsContact C-N 3.33Å; I599-K602 PolarHBondContact O-N 2.73Å; I599-N603 PolarHBondContact O-N 3.01Å; I599-N603 VanDerWaalsContact O-N 3.11Å; I599-L607 HydrophobicContact CG2-CD1 3.64Å
600	L	93.3	Very high	92	Very high	21 Å²	21	20.4 Å²	20.4	11%	0.11	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-44.4	173.9	-75.9	167.9	0	0	0	111.1	A554 L557 A558 I596 A597 K602 N603 A631	A554-L600 HydrophobicContact CB-CB 4.43Å; L557-L600 HydrophobicContact CB-CD1 3.73Å; A558-L600 HydrophobicContact CB-CD1 4.02Å; I596-L600 HydrophobicContact CG2-CD1 3.93Å; I596-L600 HydrophobicContact CG2-CG 4.3Å; I596-L600 WeakPolarHBondContact O-CG 3.29Å; I596-L600 PolarHBondContact O-N 3.25Å; A597-L600 PolarHBondContact O-N 3.34Å; L600-K602 PolarHBondContact O-N 3.38Å; L600-N603 PolarHBondContact O-N 2.89Å; L600-A631 HydrophobicContact CD2-CB 3.92Å; L600-A631 HydrophobicContact CG-CB 4.21Å
601	L	94.2	Very high	91.5	Very high	11 Å²	11	20.5 Å²	20.5	6%	0.058	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-40.6	176.9	-171.2	68.3	0	0	0	112.7	I539 R543 A546 E550 V551 A554 A597 I599 N603	I539-L601 HydrophobicContact CG2-CD2 4.14Å; I539-L601 WeakPolarHBondContact O-CD2 3.43Å; R543-L601 HydrophobicContact CB-CD2 4.44Å; R543-L601 HydrophobicContact CB-CG 4.23Å; A546-L601 HydrophobicContact CB-CD1 3.83Å; A546-L601 HydrophobicContact CB-CD2 3.73Å; A546-L601 HydrophobicContact CB-CG 4.04Å; E550-L601 HydrophobicContact CB-CD1 3.89Å; E550-L601 WeakPolarHBondContact O-CD1 3.48Å; V551-L601 HydrophobicContact CG2-CD2 3.94Å; A554-L601 HydrophobicContact CB-CB 3.89Å; A554-L601 HydrophobicContact CB-CD1 4.14Å; A597-L601 WeakPolarHBondContact O-CB 3.15Å; A597-L601 PolarHBondContact O-N 3.49Å; I599-L601 VanDerWaalsContact C-N 3.33Å; L601-N603 VanDerWaalsContact C-N 3.27Å; L601-N603 PolarHBondContact O-N 3.38Å
602	K	92.6	Very high	90.1	Very high	45 Å²	45	17 Å²	17	20%	0.196	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-31.8	177.3	-174.4	179	-172.6	178.9	0	113.1	R517 S518 I521 G542 R598 I599 L600 A604	R517-K602 VanDerWaalsContact O-CE 3.29Å; R517-K602 WeakPolarHBondContact O-CE 3.49Å; R517-K602 PolarHBondContact O-NZ 2.85Å; S518-K602 WeakPolarHBondContact O-CE 3.13Å; I521-K602 WeakPolarHBondContact O-CE 3.48Å; I521-K602 PolarHBondContact O-NZ 2.85Å; G542-K602 WeakPolarHBondContact O-CB 3.22Å; G542-K602 WeakPolarHBondContact O-CG 3.43Å; R598-K602 WeakPolarHBondContact O-CB 3.46Å; R598-K602 PolarHBondContact O-N 3.13Å; R598-K602 VanDerWaalsContact O-N 3.15Å; I599-K602 PolarHBondContact O-N 2.73Å; L600-K602 PolarHBondContact O-N 3.38Å; K602-A604 HydrophobicContact CD-CB 4.38Å; K602-A604 HydrophobicContact CG-CB 4.42Å; K602-A604 PolarHBondContact O-N 2.71Å
603	N	90	Very high	89	Confident	113 Å²	113	17.1 Å²	17.1	60%	0.604	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	46.8	-178.4	-162.5	31.7	0	0	0	115.2	I599 L600 L601 R635	I599-N603 PolarHBondContact O-N 3.01Å; I599-N603 VanDerWaalsContact O-N 3.11Å; L600-N603 PolarHBondContact O-N 2.89Å; L601-N603 VanDerWaalsContact C-N 3.27Å; L601-N603 PolarHBondContact O-N 3.38Å; N603-R635 PolarHBondContact OD1-NH2 2.69Å
604	A	91.4	Very high	87.5	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.008	10%	0.098	C	C	.	.			trans	-74.8	137.4	179.4	0	0	0	0	0	112.3	K602 R635	K602-A604 HydrophobicContact CD-CB 4.38Å; K602-A604 HydrophobicContact CG-CB 4.42Å; K602-A604 PolarHBondContact O-N 2.71Å; A604-R635 WeakPolarHBondContact O-CD 3.49Å; A604-R635 PolarHBondContact O-NE 2.99Å
605	P	92.3	Very high	86.1	Confident	15 Å²	15	23 Å²	23	10%	0.097	14%	0.137	C	C	.	.	S	Bend	trans	-73.7	-22.3	-180	29.5	-36.9	0	0	0	114.3	P440 K519 L520 R635 T636	P440-P605 HydrophobicContact CG-CB 4.41Å; K519-P605 WeakPolarHBondContact O-CD 3.46Å; L520-P605 HydrophobicContact CD2-CG 4.08Å; L520-P605 VanDerWaalsContact O-CD 3.27Å; L520-P605 WeakPolarHBondContact O-CD 3.32Å; P605-R635 WeakPolarHBondContact O-CA 3.3Å; P605-R635 WeakPolarHBondContact O-CB 3.19Å; P605-T636 PolarHBondContact O-N 3.07Å
606	I	93.8	Very high	84.8	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.2	173.5	-59.1	166.7	0	0	0	108.3	P440 I442 L503 L520 I521 G522 L608 T636	P440-I606 HydrophobicContact CG-CD1 3.71Å; P440-I606 HydrophobicContact CG-CG1 3.46Å; P440-I606 VanDerWaalsContact CG-CG1 3.46Å; I442-I606 HydrophobicContact CD1-CD1 3.95Å; I442-I606 HydrophobicContact CD1-CG1 4.3Å; I442-I606 HydrophobicContact CD1-CG2 3.82Å; I442-I606 HydrophobicContact CG1-CD1 4.35Å; L503-I606 HydrophobicContact CD1-CD1 3.64Å; L503-I606 HydrophobicContact CG-CD1 4.47Å; L520-I606 WeakPolarHBondContact O-CB 3.39Å; L520-I606 PolarHBondContact O-N 3.3Å; I521-I606 HydrophobicContact CG1-CB 4.38Å; I521-I606 HydrophobicContact CG1-CD1 4.39Å; I521-I606 HydrophobicContact CG1-CG2 4.47Å; G522-I606 PolarHBondContact N-O 3.42Å; I606-L608 HydrophobicContact CG2-CD2 3.92Å; I606-L608 HydrophobicContact CG2-CG 4.35Å; I606-T636 WeakPolarHBondContact CA-O 3.42Å
607	L	93.9	Very high	83.8	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.3	177.8	-179.9	59.4	0	0	0	110.4	G522 I524 I599 M609 A631 M632 T636 V637 L638	G522-L607 WeakPolarHBondContact O-CA 3.45Å; I524-L607 HydrophobicContact CD1-CD1 4.11Å; I524-L607 HydrophobicContact CG1-CD1 4.33Å; I599-L607 HydrophobicContact CG2-CD1 3.64Å; L607-M609 HydrophobicContact CD1-CG 4.18Å; L607-M609 HydrophobicContact CD2-CE 4.43Å; L607-M609 HydrophobicContact CD2-CG 4.28Å; L607-M609 HydrophobicContact CD2-SD 3.82Å; L607-M609 HydrophobicContact CG-CG 3.88Å; L607-M609 HydrophobicContact CG-SD 4.1Å; L607-A631 HydrophobicContact CD2-CB 4.26Å; L607-M632 HydrophobicContact CD2-CG 4.17Å; L607-T636 PolarHBondContact N-O 2.85Å; L607-V637 HydrophobicContact CB-CG1 4.35Å; L607-V637 HydrophobicContact CB-CG2 4.22Å; L607-V637 HydrophobicContact CD2-CG1 4.26Å; L607-V637 HydrophobicContact CD2-CG2 4.38Å; L607-V637 HydrophobicContact CG-CG1 4.32Å; L607-V637 CarbonylContact O-C 3.54Å; L607-V637 VanDerWaalsContact O-CA 3.32Å; L607-V637 WeakPolarHBondContact O-CA 3.45Å; L607-L638 PolarHBondContact O-N 2.81Å
608	L	94.4	Very high	82.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	175.1	-51.2	-178.4	0	0	0	108.5	V487 L490 E491 I521 G522 Y523 I524 I606 L638	V487-L608 HydrophobicContact CG1-CB 4.33Å; V487-L608 HydrophobicContact CG1-CD1 4Å; L490-L608 HydrophobicContact CB-CD1 3.83Å; L490-L608 HydrophobicContact CD1-CD1 4.21Å; L490-L608 HydrophobicContact CD1-CD2 3.73Å; E491-L608 HydrophobicContact CG-CD1 4.09Å; I521-L608 HydrophobicContact CG2-CD1 3.63Å; I521-L608 HydrophobicContact CG2-CG 3.96Å; G522-L608 PolarHBondContact O-N 3.37Å; Y523-L608 CarbonylContact C-O 3.59Å; Y523-L608 WeakPolarHBondContact CA-O 3.48Å; Y523-L608 HydrophobicContact CD2-CB 3.94Å; I524-L608 PolarHBondContact N-O 2.87Å; I606-L608 HydrophobicContact CG2-CD2 3.92Å; I606-L608 HydrophobicContact CG2-CG 4.35Å; L608-L638 WeakPolarHBondContact CA-O 3.38Å; L608-L638 HydrophobicContact CD2-CB 3.77Å; L608-L638 HydrophobicContact CD2-CD2 4.14Å
609	M	90.9	Very high	82	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.4	-179.4	-57.1	-170.4	-64.6	0	0	110.1	I524 L607 L628 M632 V637 L638 I639 I640	I524-M609 HydrophobicContact CB-CG 4.28Å; I524-M609 HydrophobicContact CD1-CG 4.18Å; I524-M609 HydrophobicContact CD1-SD 4.11Å; L607-M609 HydrophobicContact CD1-CG 4.18Å; L607-M609 HydrophobicContact CD2-CE 4.43Å; L607-M609 HydrophobicContact CD2-CG 4.28Å; L607-M609 HydrophobicContact CD2-SD 3.82Å; L607-M609 HydrophobicContact CG-CG 3.88Å; L607-M609 HydrophobicContact CG-SD 4.1Å; M609-L628 HydrophobicContact SD-CD2 3.64Å; M609-M632 HydrophobicContact CE-CG 4.05Å; M609-M632 HydrophobicContact CE-SD 3.81Å; M609-V637 HydrophobicContact CE-CG1 3.53Å; M609-L638 PolarHBondContact N-O 3.21Å; M609-I639 HydrophobicContact CE-CB 4.43Å; M609-I639 HydrophobicContact CE-CD1 3.4Å; M609-I639 VanDerWaalsContact CE-CD1 3.4Å; M609-I639 HydrophobicContact CE-CG1 3.43Å; M609-I639 VanDerWaalsContact CE-CG1 3.43Å; M609-I639 HydrophobicContact CE-CG2 4.39Å; M609-I640 PolarHBondContact O-N 3.47Å
610	D	88.8	Confident	81.3	Confident	13 Å²	13	37.9 Å²	37.9	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.6	173.8	-156.7	-3.4	0	0	0	109.9	S484 Y523 I524 Q526 A612 I640	S484-D610 PolarHBondContact OG-OD2 3.01Å; S484-D610 VanDerWaalsContact OG-OD2 3.09Å; Y523-D610 HydrophobicContact CE2-CB 4Å; I524-D610 PolarHBondContact O-N 3.36Å; Q526-D610 WeakPolarHBondContact CA-O 3.39Å; Q526-D610 PolarHBondContact N-O 2.91Å; Q526-D610 VanDerWaalsContact N-O 3.12Å; D610-A612 PolarHBondContact O-N 3.12Å; D610-A612 VanDerWaalsContact O-N 3.11Å; D610-I640 HydrophobicContact CB-CD1 4.3Å; D610-I640 WeakPolarHBondContact OD1-CB 3.36Å; D610-I640 WeakPolarHBondContact OD1-CD1 3.27Å; D610-I640 WeakPolarHBondContact OD1-CG2 3.2Å
611	E	77.7	Confident	80.7	Confident	38 Å²	38	39.1 Å²	39.1	18%	0.178	23%	0.225	C	C	.	.	S	Bend	trans	43	52.4	167.9	-151.7	-174.5	147.2	0	0	116	Q526 T613 S614 I640 H642	Q526-E611 HydrophobicContact CB-CB 4.43Å; Q526-E611 HydrophobicContact CG-CB 4.15Å; Q526-E611 PolarHBondContact NE2-OE2 3.37Å; E611-T613 VanDerWaalsContact C-N 3.28Å; E611-T613 PolarHBondContact O-N 3.5Å; E611-T613 VanDerWaalsContact O-N 3.1Å; E611-S614 VanDerWaalsContact CD-OG 3.29Å; E611-S614 WeakPolarHBondContact OE1-CB 3.16Å; E611-S614 PolarHBondContact OE1-OG 3.31Å; E611-I640 WeakPolarHBondContact CA-O 3.3Å; E611-I640 PolarHBondContact N-O 3.37Å; E611-I640 VanDerWaalsContact N-O 3.07Å; E611-H642 HydrophobicContact CG-CB 4.06Å; E611-H642 IonicContact OE2-CD2 3.84Å; E611-H642 PolarHBondContact OE2-CD2 3.21Å; E611-H642 VanDerWaalsContact OE2-CD2 3.29Å; E611-H642 IonicContact OE2-CG 3.62Å
612	A	60.8	Low	80.2	Confident	13 Å²	13	41.1 Å²	41.1	11%	0.107	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.3	-165.6	0	0	0	0	0	114.7	Q592 D610 L628	Q592-A612 VanDerWaalsContact NE2-C 3.33Å; Q592-A612 PolarHBondContact NE2-O 3.12Å; Q592-A612 PolarHBondContact OE1-O 3.31Å; D610-A612 PolarHBondContact O-N 3.12Å; D610-A612 VanDerWaalsContact O-N 3.11Å; A612-L628 HydrophobicContact CB-CD1 4.04Å; A612-L628 HydrophobicContact CB-CD2 4.41Å
613	T	65.7	Low	79.9	Confident	8 Å²	8	42.8 Å²	42.8	5%	0.049	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-0.4	-168	53	0	0	0	0	115.8	E611 A615 V624 L628 R643	E611-T613 VanDerWaalsContact C-N 3.28Å; E611-T613 PolarHBondContact O-N 3.5Å; E611-T613 VanDerWaalsContact O-N 3.1Å; T613-A615 PolarHBondContact O-N 3.36Å; T613-V624 HydrophobicContact CG2-CG1 4.33Å; T613-L628 HydrophobicContact CG2-CD1 4.16Å; T613-R643 PolarHBondContact O-NH1 3.38Å; T613-R643 PolarHBondContact O-NH2 2.81Å
614	S	58.8	Low	79.7	Confident	37 Å²	37	37.4 Å²	37.4	26%	0.259	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	128.7	179.6	54	0	0	0	0	111.1	Q526 E611	Q526-S614 PolarHBondContact NE2-OG 3.2Å; E611-S614 VanDerWaalsContact CD-OG 3.29Å; E611-S614 WeakPolarHBondContact OE1-CB 3.16Å; E611-S614 PolarHBondContact OE1-OG 3.31Å
615	A	62.9	Low	79.5	Confident	98 Å²	98	38.7 Å²	38.7	81%	0.81	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.5	20.8	-178	0	0	0	0	0	118.9	T613	T613-A615 PolarHBondContact O-N 3.36Å
616	L	66.3	Low	79.3	Confident	24 Å²	24	41.4 Å²	41.4	13%	0.126	24%	0.242	C	C	.	.			trans	-99.1	147.1	171.6	-58.7	-179	0	0	0	113.4	E621 V624	L616-E621 HydrophobicContact CB-CB 4.18Å; L616-V624 HydrophobicContact CD1-CB 3.86Å; L616-V624 HydrophobicContact CD1-CG1 3.94Å; L616-V624 HydrophobicContact CD1-CG2 3.7Å
617	D	71.1	Confident	79	Confident	85 Å²	85	41.3 Å²	41.3	46%	0.455	24%	0.241	S	C	.	.			trans	-65.3	151.9	163.4	56	-66.1	0	0	0	111.2	E619 S620 E621	D617-E619 VanDerWaalsContact C-N 3.28Å; D617-E619 PolarHBondContact O-N 3.42Å; D617-S620 VanDerWaalsContact CG-CB 3.48Å; D617-S620 VanDerWaalsContact CG-OG 3.24Å; D617-S620 PolarHBondContact O-N 2.88Å; D617-S620 VanDerWaalsContact O-N 3.12Å; D617-S620 WeakPolarHBondContact OD1-CB 3.16Å; D617-S620 PolarHBondContact OD1-OG 3.05Å; D617-S620 WeakPolarHBondContact OD2-CB 3.24Å; D617-S620 PolarHBondContact OD2-N 2.9Å; D617-S620 VanDerWaalsContact OD2-N 3.11Å; D617-S620 PolarHBondContact OD2-OG 3.3Å; D617-E621 WeakPolarHBondContact O-CB 3.26Å; D617-E621 PolarHBondContact O-N 3.15Å
618	T	75.1	Confident	78.8	Confident	126 Å²	126	41.6 Å²	41.6	77%	0.773	24%	0.243	S	C	*	.	H	α-helix	trans	-57	-36.2	-171	-39.7	0	0	0	0	113.7	A622	T618-A622 PolarHBondContact O-N 3.47Å
619	E	75	Confident	78.5	Confident	127 Å²	127	43.9 Å²	43.9	59%	0.593	26%	0.255	S	S	*	.	H	α-helix	trans	-71.5	-46.7	177.6	-164.6	-161.1	143.3	0	0	111.6	D617 E621 A622 K623	D617-E619 VanDerWaalsContact C-N 3.28Å; D617-E619 PolarHBondContact O-N 3.42Å; E619-E621 VanDerWaalsContact C-N 3.29Å; E619-E621 PolarHBondContact O-N 2.98Å; E619-A622 PolarHBondContact O-N 2.85Å; E619-K623 PolarHBondContact O-N 3Å; E619-K623 IonicContact OE1-NZ 2.99Å; E619-K623 PolarHBondContact OE1-NZ 2.85Å
620	S	77.2	Confident	78.4	Confident	14 Å²	14	45.7 Å²	45.7	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-35.5	175.2	-65.6	0	0	0	0	112.3	D617 K623 V624	D617-S620 VanDerWaalsContact CG-CB 3.48Å; D617-S620 VanDerWaalsContact CG-OG 3.24Å; D617-S620 PolarHBondContact O-N 2.88Å; D617-S620 VanDerWaalsContact O-N 3.12Å; D617-S620 WeakPolarHBondContact OD1-CB 3.16Å; D617-S620 PolarHBondContact OD1-OG 3.05Å; D617-S620 WeakPolarHBondContact OD2-CB 3.24Å; D617-S620 PolarHBondContact OD2-N 2.9Å; D617-S620 VanDerWaalsContact OD2-N 3.11Å; D617-S620 PolarHBondContact OD2-OG 3.3Å; S620-K623 PolarHBondContact O-N 3.41Å; S620-V624 WeakPolarHBondContact O-CB 3.22Å; S620-V624 VanDerWaalsContact O-CG2 3.27Å; S620-V624 WeakPolarHBondContact O-CG2 3.32Å; S620-V624 PolarHBondContact O-N 2.95Å
621	E	81.5	Confident	78.3	Confident	46 Å²	46	45.1 Å²	45.1	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-46.1	176.2	-176.9	172.4	176.2	0	0	111.2	L616 D617 E619 K623 V624 Q625 R643	L616-E621 HydrophobicContact CB-CB 4.18Å; D617-E621 WeakPolarHBondContact O-CB 3.26Å; D617-E621 PolarHBondContact O-N 3.15Å; E619-E621 VanDerWaalsContact C-N 3.29Å; E619-E621 PolarHBondContact O-N 2.98Å; E621-K623 PolarHBondContact O-N 2.79Å; E621-V624 PolarHBondContact O-N 3.32Å; E621-Q625 VanDerWaalsContact O-CB 3.28Å; E621-Q625 WeakPolarHBondContact O-CB 3.19Å; E621-Q625 PolarHBondContact O-N 3.24Å; E621-R643 IonicContact OE1-NH1 2.74Å; E621-R643 PolarHBondContact OE1-NH1 3.37Å; E621-R643 IonicContact OE2-CZ 3.98Å; E621-R643 IonicContact OE2-NH1 2.81Å; E621-R643 PolarHBondContact OE2-NH1 3.42Å
622	A	84.7	Confident	78.9	Confident	54 Å²	54	44.8 Å²	44.8	45%	0.446	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-45.3	178.5	0	0	0	0	0	112.3	T618 E619 Q625 N626	T618-A622 PolarHBondContact O-N 3.47Å; E619-A622 PolarHBondContact O-N 2.85Å; A622-Q625 PolarHBondContact O-N 3.31Å; A622-N626 WeakPolarHBondContact O-CB 3.33Å; A622-N626 VanDerWaalsContact O-CG 3.29Å; A622-N626 PolarHBondContact O-N 3.27Å; A622-N626 PolarHBondContact O-ND2 2.63Å
623	K	86.4	Confident	80.1	Confident	80 Å²	80	51.3 Å²	51.3	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-44.3	176.6	-73.5	172.3	175	163.1	0	111.6	E619 S620 E621 N626 A627	E619-K623 PolarHBondContact O-N 3Å; E619-K623 IonicContact OE1-NZ 2.99Å; E619-K623 PolarHBondContact OE1-NZ 2.85Å; S620-K623 PolarHBondContact O-N 3.41Å; E621-K623 PolarHBondContact O-N 2.79Å; K623-N626 PolarHBondContact O-N 2.91Å; K623-A627 WeakPolarHBondContact O-CB 3.32Å; K623-A627 PolarHBondContact O-N 3.33Å
624	V	85.9	Confident	81.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-45.5	177	163.7	0	0	0	0	110.9	Q592 R593 I596 T613 L616 S620 E621 N626 A627 L628	Q592-V624 VanDerWaalsContact CD-CG1 3.42Å; Q592-V624 HydrophobicContact CG-CG1 4.33Å; R593-V624 HydrophobicContact CG-CG2 3.8Å; I596-V624 HydrophobicContact CD1-CG1 4.34Å; T613-V624 HydrophobicContact CG2-CG1 4.33Å; L616-V624 HydrophobicContact CD1-CB 3.86Å; L616-V624 HydrophobicContact CD1-CG1 3.94Å; L616-V624 HydrophobicContact CD1-CG2 3.7Å; S620-V624 WeakPolarHBondContact O-CB 3.22Å; S620-V624 VanDerWaalsContact O-CG2 3.27Å; S620-V624 WeakPolarHBondContact O-CG2 3.32Å; S620-V624 PolarHBondContact O-N 2.95Å; E621-V624 PolarHBondContact O-N 3.32Å; V624-N626 VanDerWaalsContact C-N 3.3Å; V624-N626 PolarHBondContact O-N 3.1Å; V624-A627 WeakPolarHBondContact O-CB 3.08Å; V624-A627 PolarHBondContact O-N 3.07Å; V624-A627 VanDerWaalsContact O-N 3.15Å; V624-L628 HydrophobicContact CG1-CD1 4.01Å; V624-L628 HydrophobicContact CG1-CG 4.33Å; V624-L628 VanDerWaalsContact O-CG 3.3Å; V624-L628 WeakPolarHBondContact O-CG 3.27Å; V624-L628 PolarHBondContact O-N 2.87Å
625	Q	85.7	Confident	82.7	Confident	27 Å²	27	53.5 Å²	53.5	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-39.7	178.3	-172	61.7	45.1	0	0	111.9	E621 A622 L628 N629	E621-Q625 VanDerWaalsContact O-CB 3.28Å; E621-Q625 WeakPolarHBondContact O-CB 3.19Å; E621-Q625 PolarHBondContact O-N 3.24Å; A622-Q625 PolarHBondContact O-N 3.31Å; Q625-L628 PolarHBondContact O-N 3.29Å; Q625-N629 PolarHBondContact NE2-OD1 3.13Å; Q625-N629 PolarHBondContact O-N 2.82Å; Q625-N629 PolarHBondContact O-ND2 3.2Å; Q625-N629 PolarHBondContact O-OD1 2.77Å
626	N	88.7	Confident	84.2	Confident	72 Å²	72	48.9 Å²	48.9	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-40.9	174.7	-72.2	-21.2	0	0	0	112.2	Y559 A622 K623 V624 L628 N629 N630	Y559-N626 HydrophobicContact CD2-CB 4.2Å; Y559-N626 HydrophobicContact CE2-CB 3.59Å; A622-N626 WeakPolarHBondContact O-CB 3.33Å; A622-N626 VanDerWaalsContact O-CG 3.29Å; A622-N626 PolarHBondContact O-N 3.27Å; A622-N626 PolarHBondContact O-ND2 2.63Å; K623-N626 PolarHBondContact O-N 2.91Å; V624-N626 VanDerWaalsContact C-N 3.3Å; V624-N626 PolarHBondContact O-N 3.1Å; N626-L628 VanDerWaalsContact C-N 3.34Å; N626-N629 PolarHBondContact O-N 3.11Å; N626-N630 PolarHBondContact O-N 3.4Å
627	A	88.4	Confident	85.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-42.5	173.5	0	0	0	0	0	111.7	A558 Y559 I596 K623 V624 N630 A631	A558-A627 WeakPolarHBondContact O-CB 3.13Å; Y559-A627 HydrophobicContact CD2-CB 4.12Å; I596-A627 HydrophobicContact CD1-CB 3.78Å; I596-A627 HydrophobicContact CG2-CB 3.99Å; K623-A627 WeakPolarHBondContact O-CB 3.32Å; K623-A627 PolarHBondContact O-N 3.33Å; V624-A627 WeakPolarHBondContact O-CB 3.08Å; V624-A627 PolarHBondContact O-N 3.07Å; V624-A627 VanDerWaalsContact O-N 3.15Å; A627-N630 PolarHBondContact O-N 2.81Å; A627-A631 PolarHBondContact O-N 3.09Å
628	L	87.7	Confident	86.6	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-44.4	174.7	-67.2	171.6	0	0	0	111.2	I524 I596 M609 A612 T613 V624 Q625 N626 N630 A631 M632	I524-L628 HydrophobicContact CD1-CD2 4.08Å; I596-L628 HydrophobicContact CD1-CD2 3.63Å; I596-L628 HydrophobicContact CD1-CG 3.85Å; I596-L628 HydrophobicContact CG1-CD2 3.93Å; M609-L628 HydrophobicContact SD-CD2 3.64Å; A612-L628 HydrophobicContact CB-CD1 4.04Å; A612-L628 HydrophobicContact CB-CD2 4.41Å; T613-L628 HydrophobicContact CG2-CD1 4.16Å; V624-L628 HydrophobicContact CG1-CD1 4.01Å; V624-L628 HydrophobicContact CG1-CG 4.33Å; V624-L628 VanDerWaalsContact O-CG 3.3Å; V624-L628 WeakPolarHBondContact O-CG 3.27Å; V624-L628 PolarHBondContact O-N 2.87Å; Q625-L628 PolarHBondContact O-N 3.29Å; N626-L628 VanDerWaalsContact C-N 3.34Å; L628-N630 VanDerWaalsContact C-N 3.27Å; L628-N630 PolarHBondContact O-N 2.91Å; L628-A631 CarbonylContact O-C 3.58Å; L628-A631 WeakPolarHBondContact O-CA 3.49Å; L628-A631 PolarHBondContact O-N 3.12Å; L628-M632 VanDerWaalsContact O-CG 3.29Å; L628-M632 WeakPolarHBondContact O-CG 3.44Å; L628-M632 PolarHBondContact O-N 2.84Å
629	N	88.9	Confident	87.4	Confident	49 Å²	49	38.3 Å²	38.3	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-39.2	176.7	-64.7	-21.7	0	0	0	112.1	Q625 N626 M632	Q625-N629 PolarHBondContact NE2-OD1 3.13Å; Q625-N629 PolarHBondContact O-N 2.82Å; Q625-N629 PolarHBondContact O-ND2 3.2Å; Q625-N629 PolarHBondContact O-OD1 2.77Å; N626-N629 PolarHBondContact O-N 3.11Å; N629-M632 HydrophobicContact CB-CE 4.36Å; N629-M632 PolarHBondContact O-N 3.34Å; N629-M632 WeakPolarHBondContact OD1-CE 3.43Å
630	N	88.3	Confident	88.2	Confident	42 Å²	42	32.3 Å²	32.3	23%	0.225	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-41	173.3	-75.9	-18.4	0	0	0	111.8	L557 N626 A627 L628 M632	L557-N630 PolarHBondContact O-ND2 2.88Å; N626-N630 PolarHBondContact O-N 3.4Å; A627-N630 PolarHBondContact O-N 2.81Å; L628-N630 VanDerWaalsContact C-N 3.27Å; L628-N630 PolarHBondContact O-N 2.91Å; N630-M632 VanDerWaalsContact C-N 3.31Å; N630-M632 PolarHBondContact O-N 3.3Å
631	A	87.6	Confident	88.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-21.1	178.7	0	0	0	0	0	114.2	I596 L600 L607 A627 L628 R635	I596-A631 HydrophobicContact CG2-CB 4.05Å; L600-A631 HydrophobicContact CD2-CB 3.92Å; L600-A631 HydrophobicContact CG-CB 4.21Å; L607-A631 HydrophobicContact CD2-CB 4.26Å; A627-A631 PolarHBondContact O-N 3.09Å; L628-A631 CarbonylContact O-C 3.58Å; L628-A631 WeakPolarHBondContact O-CA 3.49Å; L628-A631 PolarHBondContact O-N 3.12Å; A631-R635 WeakPolarHBondContact O-CD 3.4Å; A631-R635 PolarHBondContact O-NH1 3.13Å
632	M	89.6	Confident	88.2	Confident	31 Å²	31	32.7 Å²	32.7	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-83.6	-19.2	-179.2	-72.2	-173.8	-67	0	0	114.3	V472 L607 M609 L628 N629 N630 G634 R635 V637 I639	V472-M632 HydrophobicContact CG1-SD 4.25Å; V472-M632 HydrophobicContact CG2-SD 4.35Å; L607-M632 HydrophobicContact CD2-CG 4.17Å; M609-M632 HydrophobicContact CE-CG 4.05Å; M609-M632 HydrophobicContact CE-SD 3.81Å; L628-M632 VanDerWaalsContact O-CG 3.29Å; L628-M632 WeakPolarHBondContact O-CG 3.44Å; L628-M632 PolarHBondContact O-N 2.84Å; N629-M632 HydrophobicContact CB-CE 4.36Å; N629-M632 PolarHBondContact O-N 3.34Å; N629-M632 WeakPolarHBondContact OD1-CE 3.43Å; N630-M632 VanDerWaalsContact C-N 3.31Å; N630-M632 PolarHBondContact O-N 3.3Å; M632-G634 PolarHBondContact O-N 3.46Å; M632-R635 PolarHBondContact O-N 3.35Å; M632-V637 HydrophobicContact CB-CG2 3.97Å; M632-V637 HydrophobicContact CG-CG1 4Å; M632-V637 HydrophobicContact CG-CG2 3.92Å; M632-V637 HydrophobicContact SD-CG1 4.16Å; M632-I639 HydrophobicContact SD-CD1 3.93Å
633	K	87.2	Confident	87.7	Confident	150 Å²	150	33.6 Å²	33.6	65%	0.652	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	126.9	-173.5	-73.1	175.5	-178.8	171.6	0	112.1	R635	K633-R635 VanDerWaalsContact C-N 3.3Å; K633-R635 PolarHBondContact O-N 2.92Å
634	G	86.8	Confident	87	Confident	73 Å²	73	31 Å²	31	75%	0.753	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	18.1	173.4	0	0	0	0	0	115.1	M632	M632-G634 PolarHBondContact O-N 3.46Å
635	R	91.4	Very high	86.4	Confident	18 Å²	18	34 Å²	34	7%	0.068	19%	0.187	C	C	.	.	S	Bend	trans	-124	157.1	-175.2	-64.7	173.9	-172.3	173.3	-6.1	111.2	G470 N603 A604 P605 A631 M632 K633 V637	G470-R635 CarbonylContact C-O 2.97Å; G470-R635 WeakPolarHBondContact CA-O 3.48Å; N603-R635 PolarHBondContact OD1-NH2 2.69Å; A604-R635 WeakPolarHBondContact O-CD 3.49Å; A604-R635 PolarHBondContact O-NE 2.99Å; P605-R635 WeakPolarHBondContact O-CA 3.3Å; P605-R635 WeakPolarHBondContact O-CB 3.19Å; A631-R635 WeakPolarHBondContact O-CD 3.4Å; A631-R635 PolarHBondContact O-NH1 3.13Å; M632-R635 PolarHBondContact O-N 3.35Å; K633-R635 VanDerWaalsContact C-N 3.3Å; K633-R635 PolarHBondContact O-N 2.92Å; R635-V637 HydrophobicContact CB-CG2 4.23Å
636	T	94	Very high	86	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.1	166.5	-57	0	0	0	0	107.9	P440 G469 G470 I473 P605 I606 L607	P440-T636 WeakPolarHBondContact O-CB 3.29Å; P440-T636 PolarHBondContact O-OG1 3.14Å; G469-T636 WeakPolarHBondContact CA-OG1 3.3Å; G470-T636 PolarHBondContact N-OG1 3.34Å; I473-T636 HydrophobicContact CD1-CG2 4.39Å; P605-T636 PolarHBondContact O-N 3.07Å; I606-T636 WeakPolarHBondContact CA-O 3.42Å; L607-T636 PolarHBondContact N-O 2.85Å
637	V	93.9	Very high	85.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.8	-170.9	-172.8	0	0	0	0	110.2	K471 V472 I473 L607 M609 M632 R635 I639	K471-V637 PolarHBondContact O-N 3.26Å; V472-V637 HydrophobicContact CB-CB 4.48Å; V472-V637 HydrophobicContact CG1-CB 4.34Å; V472-V637 HydrophobicContact CG1-CG1 4.44Å; V472-V637 HydrophobicContact CG2-CB 4.22Å; V472-V637 HydrophobicContact CG2-CG2 4.25Å; I473-V637 WeakPolarHBondContact CD1-O 3.37Å; I473-V637 PolarHBondContact N-O 3.44Å; L607-V637 HydrophobicContact CB-CG1 4.35Å; L607-V637 HydrophobicContact CB-CG2 4.22Å; L607-V637 HydrophobicContact CD2-CG1 4.26Å; L607-V637 HydrophobicContact CD2-CG2 4.38Å; L607-V637 HydrophobicContact CG-CG1 4.32Å; L607-V637 CarbonylContact O-C 3.54Å; L607-V637 VanDerWaalsContact O-CA 3.32Å; L607-V637 WeakPolarHBondContact O-CA 3.45Å; M609-V637 HydrophobicContact CE-CG1 3.53Å; M632-V637 HydrophobicContact CB-CG2 3.97Å; M632-V637 HydrophobicContact CG-CG1 4Å; M632-V637 HydrophobicContact CG-CG2 3.92Å; M632-V637 HydrophobicContact SD-CG1 4.16Å; R635-V637 HydrophobicContact CB-CG2 4.23Å; V637-I639 HydrophobicContact CG1-CD1 4.11Å; V637-I639 HydrophobicContact CG1-CG1 3.71Å
638	L	94.4	Very high	85.4	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	168.7	-179.8	63.9	0	0	0	109.5	L467 I473 L475 V486 L490 L607 L608 M609	L467-L638 HydrophobicContact CD2-CB 4.09Å; L467-L638 HydrophobicContact CD2-CD1 3.99Å; L467-L638 HydrophobicContact CD2-CD2 4.26Å; L467-L638 HydrophobicContact CD2-CG 4.33Å; I473-L638 HydrophobicContact CB-CD1 4.36Å; I473-L638 HydrophobicContact CG2-CD1 4.2Å; I473-L638 WeakPolarHBondContact O-CA 3.33Å; L475-L638 HydrophobicContact CB-CD1 4.09Å; V486-L638 HydrophobicContact CG1-CD2 4.06Å; L490-L638 HydrophobicContact CD1-CD2 3.78Å; L607-L638 PolarHBondContact O-N 2.81Å; L608-L638 WeakPolarHBondContact CA-O 3.38Å; L608-L638 HydrophobicContact CD2-CB 3.77Å; L608-L638 HydrophobicContact CD2-CD2 4.14Å; M609-L638 PolarHBondContact N-O 3.21Å
639	I	92.1	Very high	85.1	Confident	11 Å²	11	42.9 Å²	42.9	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.9	-179.2	-45.9	-172.2	0	0	0	109.1	V472 I473 A474 L475 M609 M632 V637 A641 T646	V472-I639 HydrophobicContact CG1-CD1 3.6Å; V472-I639 HydrophobicContact CG1-CG1 4.21Å; I473-I639 PolarHBondContact O-N 3.11Å; A474-I639 CarbonylContact C-O 3.57Å; A474-I639 WeakPolarHBondContact CA-O 3.37Å; L475-I639 PolarHBondContact N-O 3.12Å; M609-I639 HydrophobicContact CE-CB 4.43Å; M609-I639 HydrophobicContact CE-CD1 3.4Å; M609-I639 VanDerWaalsContact CE-CD1 3.4Å; M609-I639 HydrophobicContact CE-CG1 3.43Å; M609-I639 VanDerWaalsContact CE-CG1 3.43Å; M609-I639 HydrophobicContact CE-CG2 4.39Å; M632-I639 HydrophobicContact SD-CD1 3.93Å; V637-I639 HydrophobicContact CG1-CD1 4.11Å; V637-I639 HydrophobicContact CG1-CG1 3.71Å; I639-A641 HydrophobicContact CG2-CB 4.22Å; I639-A641 PolarHBondContact O-N 3.24Å; I639-T646 HydrophobicContact CD1-CG2 4.14Å; I639-T646 HydrophobicContact CG2-CG2 3.93Å
640	I	91.2	Very high	85.1	Confident	2 Å²	2	41 Å²	41	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	109.3	162.8	-59.7	171.6	0	0	0	106.7	K483 V487 M609 D610 E611	K483-I640 HydrophobicContact CB-CD1 4.09Å; K483-I640 HydrophobicContact CB-CG1 4.21Å; K483-I640 HydrophobicContact CB-CG2 3.82Å; K483-I640 HydrophobicContact CD-CG2 3.89Å; K483-I640 HydrophobicContact CG-CG2 4.46Å; V487-I640 HydrophobicContact CG2-CD1 3.59Å; V487-I640 HydrophobicContact CG2-CG1 4.3Å; M609-I640 PolarHBondContact O-N 3.47Å; D610-I640 HydrophobicContact CB-CD1 4.3Å; D610-I640 WeakPolarHBondContact OD1-CB 3.36Å; D610-I640 WeakPolarHBondContact OD1-CD1 3.27Å; D610-I640 WeakPolarHBondContact OD1-CG2 3.2Å; E611-I640 WeakPolarHBondContact CA-O 3.3Å; E611-I640 PolarHBondContact N-O 3.37Å; E611-I640 VanDerWaalsContact N-O 3.07Å
641	A	81.5	Confident	85.3	Confident	5 Å²	5	42.5 Å²	42.5	4%	0.041	22%	0.219	C	C	.	.			trans	-113.8	124.9	-172.5	0	0	0	0	0	111.3	L475 I639 V647	L475-A641 PolarHBondContact O-N 3.17Å; I639-A641 HydrophobicContact CG2-CB 4.22Å; I639-A641 PolarHBondContact O-N 3.24Å; A641-V647 HydrophobicContact CB-CG2 3.41Å; A641-V647 VanDerWaalsContact CB-CG2 3.41Å
642	H	77.6	Confident	85.5	Confident	63 Å²	63	44.3 Å²	44.3	29%	0.292	23%	0.229	S	C	.	.			trans	-102.2	-11.6	166.9	-96.6	-84.3	0	0	0	112.9	K483 E611 Q684	K483-H642 PolarHBondContact NZ-NE2 2.9Å; K483-H642 VanDerWaalsContact NZ-NE2 3.13Å; E611-H642 HydrophobicContact CG-CB 4.06Å; E611-H642 IonicContact OE2-CD2 3.84Å; E611-H642 PolarHBondContact OE2-CD2 3.21Å; E611-H642 VanDerWaalsContact OE2-CD2 3.29Å; E611-H642 IonicContact OE2-CG 3.62Å; H642-Q684 PolarHBondContact O-NE2 3.37Å; H642-Q684 PolarHBondContact O-OE1 2.74Å
643	R	74.1	Confident	85.7	Confident	73 Å²	73	42.9 Å²	42.9	28%	0.275	22%	0.221	S	C	.	.	S	Bend	trans	-106.1	131.1	179.1	-67.6	-171.9	175.9	-166.9	-4.3	112	T613 E621 S645 T646 V647	T613-R643 PolarHBondContact O-NH1 3.38Å; T613-R643 PolarHBondContact O-NH2 2.81Å; E621-R643 IonicContact OE1-NH1 2.74Å; E621-R643 PolarHBondContact OE1-NH1 3.37Å; E621-R643 IonicContact OE2-CZ 3.98Å; E621-R643 IonicContact OE2-NH1 2.81Å; E621-R643 PolarHBondContact OE2-NH1 3.42Å; R643-S645 VanDerWaalsContact C-N 3.27Å; R643-S645 PolarHBondContact O-N 3.17Å; R643-T646 PolarHBondContact O-N 3.48Å; R643-V647 WeakPolarHBondContact O-CG2 2.96Å; R643-V647 PolarHBondContact O-N 3.38Å
644	L	71.8	Confident	86	Confident	25 Å²	25	35.9 Å²	35.9	13%	0.131	19%	0.191	C	C	.	.	H	α-helix	trans	-52.1	-38.8	174.7	-85.5	158	0	0	0	114.4	T646 V647 R648 V681 Q684 E685	L644-T646 VanDerWaalsContact C-N 3.31Å; L644-T646 PolarHBondContact O-N 3.22Å; L644-V647 PolarHBondContact O-N 3.35Å; L644-R648 WeakPolarHBondContact O-CG 3.44Å; L644-R648 PolarHBondContact O-N 3.34Å; L644-V681 HydrophobicContact CD1-CG1 4.11Å; L644-V681 HydrophobicContact CD2-CB 3.98Å; L644-V681 HydrophobicContact CD2-CG1 3.6Å; L644-V681 HydrophobicContact CD2-CG2 3.56Å; L644-V681 HydrophobicContact CG-CG1 4.49Å; L644-Q684 HydrophobicContact CD1-CB 3.58Å; L644-Q684 HydrophobicContact CG-CB 4.37Å; L644-E685 HydrophobicContact CD1-CG 3.63Å
645	S	74.3	Confident	86.3	Confident	64 Å²	64	32.4 Å²	32.4	45%	0.448	16%	0.156	S	C	.	.	H	α-helix	trans	-60.9	-37.4	-177.2	54.1	0	0	0	0	113.3	R643	R643-S645 VanDerWaalsContact C-N 3.27Å; R643-S645 PolarHBondContact O-N 3.17Å
646	T	76.4	Confident	86.3	Confident	19 Å²	19	31.6 Å²	31.6	12%	0.117	15%	0.152	C	C	.	.	H	α-helix	trans	-76.5	-39.1	176.6	-47.9	0	0	0	0	111.1	I639 R643 L644 K649	I639-T646 HydrophobicContact CD1-CG2 4.14Å; I639-T646 HydrophobicContact CG2-CG2 3.93Å; R643-T646 PolarHBondContact O-N 3.48Å; L644-T646 VanDerWaalsContact C-N 3.31Å; L644-T646 PolarHBondContact O-N 3.22Å; T646-K649 PolarHBondContact O-N 3.33Å
647	V	79.9	Confident	86.2	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-42.1	179.7	178.6	0	0	0	0	111.7	V476 A641 R643 L644 K649 A650 I653 Y677	V476-V647 HydrophobicContact CG2-CB 4.46Å; V476-V647 HydrophobicContact CG2-CG1 3.94Å; V476-V647 HydrophobicContact CG2-CG2 3.56Å; A641-V647 HydrophobicContact CB-CG2 3.41Å; A641-V647 VanDerWaalsContact CB-CG2 3.41Å; R643-V647 WeakPolarHBondContact O-CG2 2.96Å; R643-V647 PolarHBondContact O-N 3.38Å; L644-V647 PolarHBondContact O-N 3.35Å; V647-K649 PolarHBondContact O-N 3.27Å; V647-K649 VanDerWaalsContact O-N 3.14Å; V647-A650 WeakPolarHBondContact O-CB 3.28Å; V647-A650 PolarHBondContact O-N 3.24Å; V647-A650 VanDerWaalsContact O-N 3.1Å; V647-I653 HydrophobicContact CG1-CD1 3.49Å; V647-I653 VanDerWaalsContact CG1-CD1 3.49Å; V647-I653 HydrophobicContact CG1-CG1 3.82Å; V647-I653 HydrophobicContact CG1-CG2 4.11Å; V647-Y677 HydrophobicContact CG1-CE2 3.8Å; V647-Y677 VanDerWaalsContact CG1-OH 3.23Å; V647-Y677 WeakPolarHBondContact CG1-OH 3.31Å
648	R	83.9	Confident	86	Confident	131 Å²	131	41.6 Å²	41.6	49%	0.494	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.9	-179.6	-76.3	-176.8	-177.2	178.8	4.7	114.2	L644 E685	L644-R648 WeakPolarHBondContact O-CG 3.44Å; L644-R648 PolarHBondContact O-N 3.34Å; R648-E685 IonicContact CZ-OE1 3.98Å; R648-E685 IonicContact NH2-OE1 2.74Å; R648-E685 PolarHBondContact NH2-OE1 3.36Å
649	K	82.7	Confident	85.7	Confident	137 Å²	137	41.5 Å²	41.5	60%	0.596	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.5	-179.2	-67	-177.6	-179.9	178.6	0	113.6	T646 V647	T646-K649 PolarHBondContact O-N 3.33Å; V647-K649 PolarHBondContact O-N 3.27Å; V647-K649 VanDerWaalsContact O-N 3.14Å
650	A	88.2	Confident	85.8	Confident	10 Å²	10	44.6 Å²	44.6	8%	0.083	21%	0.212	C	C	.	.			trans	-74.6	141.9	-179.7	0	0	0	0	0	111.1	V472 A474 V647 L652 I653	V472-A650 HydrophobicContact CG1-CB 4.47Å; A474-A650 HydrophobicContact CB-CB 3.57Å; V647-A650 WeakPolarHBondContact O-CB 3.28Å; V647-A650 PolarHBondContact O-N 3.24Å; V647-A650 VanDerWaalsContact O-N 3.1Å; A650-L652 VanDerWaalsContact C-N 3.28Å; A650-I653 HydrophobicContact CB-CG1 4.25Å
651	D	92.1	Very high	85.9	Confident	74 Å²	74	46.4 Å²	46.4	40%	0.396	22%	0.222	S	C	.	.	S	Bend	trans	-67.6	-33.6	172.9	-65.4	-74.3	0	0	0	111.3	K471 V472	K471-D651 HydrophobicContact CB-CB 4.27Å; K471-D651 HydrophobicContact CD-CB 3.99Å; K471-D651 WeakPolarHBondContact CD-OD2 3.21Å; K471-D651 IonicContact NZ-OD1 2.61Å; V472-D651 PolarHBondContact N-OD2 3.34Å; V472-D651 PolarHBondContact O-N 2.73Å
652	L	93.4	Very high	86.4	Confident	38 Å²	38	49.5 Å²	49.5	20%	0.199	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.6	-179.6	-179.7	64.5	0	0	0	109.9	V472 I473 A474 A650 L654	V472-L652 PolarHBondContact O-N 3.27Å; I473-L652 CarbonylContact C-O 3.52Å; I473-L652 VanDerWaalsContact CA-O 3.29Å; I473-L652 WeakPolarHBondContact CA-O 3.35Å; I473-L652 HydrophobicContact CG1-CB 4.33Å; I473-L652 HydrophobicContact CG1-CD2 4.45Å; A474-L652 PolarHBondContact N-O 3.43Å; A650-L652 VanDerWaalsContact C-N 3.28Å; L652-L654 HydrophobicContact CD2-CD2 4.1Å; L652-L654 HydrophobicContact CD2-CG 4.44Å; L652-L654 HydrophobicContact CG-CD2 4.16Å; L652-L654 HydrophobicContact CG-CG 4.4Å
653	I	93.4	Very high	87.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.3	174.4	-58.3	164.6	0	0	0	108	A474 V476 V647 A650 V655 K664 G665 H667 L670 Y677	A474-I653 HydrophobicContact CB-CG1 4.39Å; A474-I653 CarbonylContact O-C 3.56Å; A474-I653 WeakPolarHBondContact O-CA 3.39Å; V476-I653 HydrophobicContact CG2-CG2 4.01Å; V647-I653 HydrophobicContact CG1-CD1 3.49Å; V647-I653 VanDerWaalsContact CG1-CD1 3.49Å; V647-I653 HydrophobicContact CG1-CG1 3.82Å; V647-I653 HydrophobicContact CG1-CG2 4.11Å; A650-I653 HydrophobicContact CB-CG1 4.25Å; I653-V655 HydrophobicContact CG2-CG2 4.22Å; I653-K664 VanDerWaalsContact O-CA 3.3Å; I653-K664 WeakPolarHBondContact O-CA 3.37Å; I653-G665 WeakPolarHBondContact CB-O 3.23Å; I653-G665 PolarHBondContact N-O 3.46Å; I653-G665 PolarHBondContact O-N 2.91Å; I653-G665 VanDerWaalsContact O-N 3.11Å; I653-H667 HydrophobicContact CD1-CB 3.87Å; I653-L670 HydrophobicContact CB-CD1 3.67Å; I653-L670 HydrophobicContact CD1-CD1 4.33Å; I653-L670 HydrophobicContact CG2-CD1 3.69Å; I653-Y677 HydrophobicContact CD1-CE2 4.29Å; I653-Y677 HydrophobicContact CG2-CD2 4.1Å; I653-Y677 HydrophobicContact CG2-CE2 3.88Å
654	L	93.8	Very high	88	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.3	174.7	-61.7	179.4	0	0	0	108.5	M465 I473 A474 L475 V476 L652 I661 K664	M465-L654 HydrophobicContact CB-CD1 4.21Å; M465-L654 HydrophobicContact CE-CD1 3.25Å; M465-L654 HydrophobicContact SD-CD1 4.25Å; I473-L654 HydrophobicContact CG2-CD1 3.67Å; I473-L654 HydrophobicContact CG2-CG 3.88Å; A474-L654 PolarHBondContact O-N 2.86Å; L475-L654 WeakPolarHBondContact CA-O 3.45Å; L475-L654 HydrophobicContact CD1-CB 3.96Å; V476-L654 PolarHBondContact N-O 3.1Å; L652-L654 HydrophobicContact CD2-CD2 4.1Å; L652-L654 HydrophobicContact CD2-CG 4.44Å; L652-L654 HydrophobicContact CG-CD2 4.16Å; L652-L654 HydrophobicContact CG-CG 4.4Å; L654-I661 HydrophobicContact CB-CD1 4.17Å; L654-K664 HydrophobicContact CD2-CB 3.66Å
655	V	92.5	Very high	89	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.3	-176.9	-171.7	0	0	0	0	108.4	V476 I653 I661 V662 E663 L670 Y676 Y677 L680	V476-V655 CarbonylContact O-C 3.58Å; V476-V655 WeakPolarHBondContact O-CA 3.33Å; I653-V655 HydrophobicContact CG2-CG2 4.22Å; V655-I661 CarbonylContact O-C 3.58Å; V655-I661 WeakPolarHBondContact O-CA 3.3Å; V655-V662 HydrophobicContact CB-CG2 4.02Å; V655-V662 HydrophobicContact CG1-CG2 3.75Å; V655-V662 WeakPolarHBondContact O-CG2 3.4Å; V655-V662 PolarHBondContact O-N 3.11Å; V655-E663 HydrophobicContact CB-CB 3.94Å; V655-E663 HydrophobicContact CG2-CB 3.91Å; V655-E663 PolarHBondContact N-O 2.87Å; V655-L670 HydrophobicContact CG2-CD1 4.02Å; V655-Y676 HydrophobicContact CG1-CD1 3.48Å; V655-Y676 VanDerWaalsContact CG1-CD1 3.48Å; V655-Y676 HydrophobicContact CG1-CE1 4.19Å; V655-Y676 HydrophobicContact CG1-CG 4.35Å; V655-Y677 HydrophobicContact CG2-CD2 3.89Å; V655-Y677 HydrophobicContact CG2-CG 4.31Å; V655-L680 HydrophobicContact CG1-CD1 4.4Å
656	M	92.4	Very high	89.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.7	-176.3	-167.7	165.6	58.6	0	0	111.8	L460 L463 L475 V476 G477 A481 K483 V486 Q660 I661	L460-M656 HydrophobicContact CD2-SD 4.25Å; L463-M656 HydrophobicContact CD1-SD 4.03Å; L475-M656 HydrophobicContact CD1-CB 4.11Å; L475-M656 HydrophobicContact CD1-CE 4.47Å; L475-M656 HydrophobicContact CD2-CE 4.01Å; L475-M656 HydrophobicContact CG-CE 4.41Å; V476-M656 PolarHBondContact O-N 3.01Å; G477-M656 VanDerWaalsContact CA-O 3.28Å; G477-M656 WeakPolarHBondContact CA-O 3.2Å; A481-M656 HydrophobicContact CB-CE 4.4Å; A481-M656 HydrophobicContact CB-CG 4.47Å; A481-M656 VanDerWaalsContact O-CE 3.3Å; A481-M656 WeakPolarHBondContact O-CE 3.44Å; K483-M656 VanDerWaalsContact CA-CE 3.4Å; K483-M656 HydrophobicContact CB-CE 4.04Å; K483-M656 HydrophobicContact CG-CE 3.53Å; V486-M656 HydrophobicContact CG2-CE 4.35Å; V486-M656 HydrophobicContact CG2-SD 4.45Å; M656-Q660 VanDerWaalsContact CA-O 3.3Å; M656-Q660 WeakPolarHBondContact CA-O 3.44Å; M656-Q660 WeakPolarHBondContact CG-O 3.28Å; M656-I661 HydrophobicContact CB-CD1 4.04Å; M656-I661 HydrophobicContact CG-CD1 4.27Å; M656-I661 HydrophobicContact SD-CD1 4.49Å
657	S	90.8	Very high	90.4	Very high	24 Å²	24	51.8 Å²	51.8	17%	0.168	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134.4	174.6	-174.6	0	0	0	0	109.2	G659 Q660 Y676	S657-G659 PolarHBondContact O-N 3.14Å; S657-G659 VanDerWaalsContact O-N 3.07Å; S657-Q660 PolarHBondContact N-O 2.8Å; S657-Q660 PolarHBondContact O-N 2.86Å; S657-Q660 VanDerWaalsContact O-O 3.13Å; S657-Y676 PolarHBondContact OG-OH 2.97Å
658	K	89	Confident	90.8	Very high	187 Å²	187	56.1 Å²	56.1	81%	0.813	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	39.6	178.2	-59.2	-178.7	179	179.3	0	114.2
659	G	89.4	Confident	91.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	11.5	177.7	0	0	0	0	0	116.1	V459 N461 A481 S657	V459-G659 WeakPolarHBondContact O-CA 3.44Å; N461-G659 PolarHBondContact N-O 3.2Å; N461-G659 VanDerWaalsContact N-O 3.13Å; A481-G659 WeakPolarHBondContact O-CA 3.42Å; A481-G659 PolarHBondContact O-N 2.96Å; A481-G659 VanDerWaalsContact O-N 3.12Å; S657-G659 PolarHBondContact O-N 3.14Å; S657-G659 VanDerWaalsContact O-N 3.07Å
660	Q	93	Very high	91.4	Very high	76 Å²	76	48.3 Å²	48.3	36%	0.355	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.3	178.2	-73.9	-179.8	-10.8	0	0	111.8	N461 M656 S657 V662	N461-Q660 HydrophobicContact CB-CG 4.42Å; N461-Q660 PolarHBondContact ND2-NE2 2.76Å; N461-Q660 VanDerWaalsContact ND2-NE2 3.14Å; N461-Q660 WeakPolarHBondContact O-CG 3.35Å; N461-Q660 PolarHBondContact O-NE2 3.15Å; M656-Q660 VanDerWaalsContact CA-O 3.3Å; M656-Q660 WeakPolarHBondContact CA-O 3.44Å; M656-Q660 WeakPolarHBondContact CG-O 3.28Å; S657-Q660 PolarHBondContact N-O 2.8Å; S657-Q660 PolarHBondContact O-N 2.86Å; S657-Q660 VanDerWaalsContact O-O 3.13Å; Q660-V662 PolarHBondContact O-N 2.87Å
661	I	93.1	Very high	91.4	Very high	41 Å²	41	50 Å²	50	21%	0.21	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.1	169.1	-59.4	-49.8	0	0	0	108.8	L463 M465 L475 L654 V655 M656 E663	L463-I661 HydrophobicContact CD1-CD1 3.88Å; L463-I661 HydrophobicContact CD1-CG1 3.72Å; M465-I661 HydrophobicContact CB-CG1 4.08Å; M465-I661 HydrophobicContact SD-CD1 4.26Å; M465-I661 HydrophobicContact SD-CG1 4.49Å; L475-I661 HydrophobicContact CD1-CD1 4.02Å; L654-I661 HydrophobicContact CB-CD1 4.17Å; V655-I661 CarbonylContact O-C 3.58Å; V655-I661 WeakPolarHBondContact O-CA 3.3Å; M656-I661 HydrophobicContact CB-CD1 4.04Å; M656-I661 HydrophobicContact CG-CD1 4.27Å; M656-I661 HydrophobicContact SD-CD1 4.49Å; I661-E663 WeakPolarHBondContact CG2-O 3.42Å
662	V	92.1	Very high	91.2	Very high	70 Å²	70	49.8 Å²	49.8	42%	0.424	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-33	178.3	-66.4	0	0	0	0	112.3	V655 Q660 Y676	V655-V662 HydrophobicContact CB-CG2 4.02Å; V655-V662 HydrophobicContact CG1-CG2 3.75Å; V655-V662 WeakPolarHBondContact O-CG2 3.4Å; V655-V662 PolarHBondContact O-N 3.11Å; Q660-V662 PolarHBondContact O-N 2.87Å; V662-Y676 HydrophobicContact CG2-CD1 4.28Å; V662-Y676 HydrophobicContact CG2-CG 4.2Å
663	E	92.5	Very high	91	Very high	41 Å²	41	53.3 Å²	53.3	19%	0.192	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.3	-178.9	-63.8	173.2	-174	0	0	110.7	V655 I661 L670 G675 Y676 Y677	V655-E663 HydrophobicContact CB-CB 3.94Å; V655-E663 HydrophobicContact CG2-CB 3.91Å; V655-E663 PolarHBondContact N-O 2.87Å; I661-E663 WeakPolarHBondContact CG2-O 3.42Å; E663-L670 HydrophobicContact CB-CD2 3.82Å; E663-G675 WeakPolarHBondContact OE1-CA 3.37Å; E663-Y676 PolarHBondContact OE1-N 2.83Å; E663-Y676 PolarHBondContact OE2-N 2.94Å; E663-Y677 VanDerWaalsContact OE2-CB 3.32Å; E663-Y677 WeakPolarHBondContact OE2-CB 3.14Å; E663-Y677 PolarHBondContact OE2-N 2.9Å
664	K	92.8	Very high	90.5	Very high	161 Å²	161	59 Å²	59	70%	0.7	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.1	173.9	65	-178.9	-178	-178.3	0	110	I653 L654	I653-K664 VanDerWaalsContact O-CA 3.3Å; I653-K664 WeakPolarHBondContact O-CA 3.37Å; L654-K664 HydrophobicContact CD2-CB 3.66Å
665	G	92.6	Very high	90.3	Very high	5 Å²	5	59.6 Å²	59.6	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-175.6	177	0	0	0	0	0	112.6	I653 E669	I653-G665 WeakPolarHBondContact CB-O 3.23Å; I653-G665 PolarHBondContact N-O 3.46Å; I653-G665 PolarHBondContact O-N 2.91Å; I653-G665 VanDerWaalsContact O-N 3.11Å; G665-E669 VanDerWaalsContact CA-OE2 3.3Å; G665-E669 WeakPolarHBondContact CA-OE2 3.32Å
666	T	91.4	Very high	89.9	Confident	49 Å²	49	62.2 Å²	62.2	30%	0.301	33%	0.327	S	S	.	.			trans	-78	166.1	169.5	66.4	0	0	0	0	111.1	S668 E669 L670	T666-S668 VanDerWaalsContact C-N 3.29Å; T666-S668 PolarHBondContact O-N 3.44Å; T666-E669 PolarHBondContact N-OE2 3.4Å; T666-E669 PolarHBondContact O-N 3.04Å; T666-E669 VanDerWaalsContact OG1-CG 3.26Å; T666-E669 WeakPolarHBondContact OG1-CG 3.26Å; T666-E669 PolarHBondContact OG1-N 3.26Å; T666-E669 PolarHBondContact OG1-OE1 2.99Å; T666-E669 VanDerWaalsContact OG1-OE1 3.04Å; T666-L670 WeakPolarHBondContact O-CG 3.5Å; T666-L670 PolarHBondContact O-N 3.32Å
667	H	89.3	Confident	89.7	Confident	36 Å²	36	62.3 Å²	62.3	17%	0.167	33%	0.327	C	S	.	.	H	α-helix	trans	-55.2	-45.7	178.5	179.7	61.2	0	0	0	112.2	I653 L670 M671 Y677	I653-H667 HydrophobicContact CD1-CB 3.87Å; H667-L670 PolarHBondContact O-N 2.98Å; H667-M671 WeakPolarHBondContact O-CB 3.46Å; H667-M671 VanDerWaalsContact O-CG 3.25Å; H667-M671 WeakPolarHBondContact O-CG 3.25Å; H667-M671 PolarHBondContact O-N 2.97Å; H667-Y677 AromaticContact CE1-CE1 3.94Å; H667-Y677 PolarHBondContact CE1-OH 3.16Å; H667-Y677 AromaticContact ND1-CE1 3.5Å; H667-Y677 WeakPolarHBondContact ND1-CE1 3.41Å; H667-Y677 AromaticContact ND1-CZ 3.59Å; H667-Y677 PolarHBondContact ND1-OH 3.3Å
668	S	89.3	Confident	89.6	Confident	94 Å²	94	63.7 Å²	63.7	66%	0.657	33%	0.329	S	S	*	.	H	α-helix	trans	-65.7	-41.3	-179.6	-57.8	0	0	0	0	112.4	T666 A672	T666-S668 VanDerWaalsContact C-N 3.29Å; T666-S668 PolarHBondContact O-N 3.44Å; S668-A672 PolarHBondContact O-N 3.43Å; S668-A672 VanDerWaalsContact O-N 3.16Å
669	E	90.6	Very high	89.5	Confident	103 Å²	103	58.6 Å²	58.6	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-46.6	176.7	-73.5	158.1	-152.4	0	0	111.9	G665 T666 M671 A672 N673	G665-E669 VanDerWaalsContact CA-OE2 3.3Å; G665-E669 WeakPolarHBondContact CA-OE2 3.32Å; T666-E669 PolarHBondContact N-OE2 3.4Å; T666-E669 PolarHBondContact O-N 3.04Å; T666-E669 VanDerWaalsContact OG1-CG 3.26Å; T666-E669 WeakPolarHBondContact OG1-CG 3.26Å; T666-E669 PolarHBondContact OG1-N 3.26Å; T666-E669 PolarHBondContact OG1-OE1 2.99Å; T666-E669 VanDerWaalsContact OG1-OE1 3.04Å; E669-M671 PolarHBondContact O-N 3.5Å; E669-A672 PolarHBondContact O-N 3.46Å; E669-N673 VanDerWaalsContact O-CG 3.3Å; E669-N673 PolarHBondContact O-N 2.74Å; E669-N673 VanDerWaalsContact O-N 3.14Å; E669-N673 PolarHBondContact O-ND2 3.08Å
670	L	88.5	Confident	89.2	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-70.1	-31.7	-177.7	-68.5	179.2	0	0	0	113	I653 V655 E663 T666 H667 Y677	I653-L670 HydrophobicContact CB-CD1 3.67Å; I653-L670 HydrophobicContact CD1-CD1 4.33Å; I653-L670 HydrophobicContact CG2-CD1 3.69Å; V655-L670 HydrophobicContact CG2-CD1 4.02Å; E663-L670 HydrophobicContact CB-CD2 3.82Å; T666-L670 WeakPolarHBondContact O-CG 3.5Å; T666-L670 PolarHBondContact O-N 3.32Å; H667-L670 PolarHBondContact O-N 2.98Å; L670-Y677 HydrophobicContact CB-CD1 3.37Å; L670-Y677 HydrophobicContact CB-CE1 4.08Å; L670-Y677 HydrophobicContact CB-CG 3.7Å; L670-Y677 HydrophobicContact CD1-CD1 4.18Å; L670-Y677 HydrophobicContact CD1-CD2 4Å; L670-Y677 HydrophobicContact CD1-CG 3.82Å; L670-Y677 HydrophobicContact CG-CD1 4.43Å; L670-Y677 HydrophobicContact CG-CG 4.37Å
671	M	88.3	Confident	88.8	Confident	45 Å²	45	56.3 Å²	56.3	22%	0.222	30%	0.301	C	S	.	.	H	α-helix	trans	-68.8	-37.1	172.8	-71.5	-60.9	-68.9	0	0	112	H667 E669 N673 H674 Y677 Y678 V681	H667-M671 WeakPolarHBondContact O-CB 3.46Å; H667-M671 VanDerWaalsContact O-CG 3.25Å; H667-M671 WeakPolarHBondContact O-CG 3.25Å; H667-M671 PolarHBondContact O-N 2.97Å; E669-M671 PolarHBondContact O-N 3.5Å; M671-N673 VanDerWaalsContact C-N 3.34Å; M671-H674 PolarHBondContact O-N 2.91Å; M671-Y677 HydrophobicContact CG-CD1 4.47Å; M671-Y677 HydrophobicContact CG-CE1 4.1Å; M671-Y677 HydrophobicContact SD-CD1 4.1Å; M671-Y677 HydrophobicContact SD-CE1 3.86Å; M671-Y678 HydrophobicContact CE-CD2 3.62Å; M671-Y678 HydrophobicContact CE-CE2 3.81Å; M671-Y678 WeakPolarHBondContact O-CD2 3.42Å; M671-Y678 HydrophobicContact SD-CD2 3.99Å; M671-V681 HydrophobicContact CE-CB 4.47Å; M671-V681 HydrophobicContact CE-CG1 3.99Å; M671-V681 HydrophobicContact SD-CB 3.92Å; M671-V681 HydrophobicContact SD-CG1 3.88Å; M671-V681 HydrophobicContact SD-CG2 3.78Å
672	A	87.8	Confident	88.4	Confident	71 Å²	71	56.7 Å²	56.7	59%	0.587	30%	0.302	S	S	*	.	H	α-helix	trans	-68.8	-31.1	177.5	0	0	0	0	0	113	S668 E669 H674	S668-A672 PolarHBondContact O-N 3.43Å; S668-A672 VanDerWaalsContact O-N 3.16Å; E669-A672 PolarHBondContact O-N 3.46Å; A672-H674 PolarHBondContact O-CD2 2.67Å; A672-H674 PolarHBondContact O-N 3.43Å
673	N	87.5	Confident	87.8	Confident	112 Å²	112	62.2 Å²	62.2	60%	0.599	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.1	-179.3	-70.9	-17.4	0	0	0	114.1	E669 M671 G675	E669-N673 VanDerWaalsContact O-CG 3.3Å; E669-N673 PolarHBondContact O-N 2.74Å; E669-N673 VanDerWaalsContact O-N 3.14Å; E669-N673 PolarHBondContact O-ND2 3.08Å; M671-N673 VanDerWaalsContact C-N 3.34Å; N673-G675 PolarHBondContact O-N 2.92Å
674	H	84.5	Confident	86.9	Confident	120 Å²	120	64.9 Å²	64.9	56%	0.556	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	34.8	-177.5	-67.4	-68.2	0	0	0	114.5	M671 A672 Y678	M671-H674 PolarHBondContact O-N 2.91Å; A672-H674 PolarHBondContact O-CD2 2.67Å; A672-H674 PolarHBondContact O-N 3.43Å; H674-Y678 AromaticContact CE1-CE2 3.57Å; H674-Y678 AromaticContact CE1-CZ 3.69Å; H674-Y678 AromaticContact ND1-CD1 3.79Å; H674-Y678 AromaticContact ND1-CD2 3.53Å; H674-Y678 AromaticContact ND1-CE1 3.55Å; H674-Y678 AromaticContact ND1-CE2 3.29Å; H674-Y678 VanDerWaalsContact ND1-CE2 3.29Å; H674-Y678 WeakPolarHBondContact ND1-CE2 3.25Å; H674-Y678 AromaticContact ND1-CG 3.78Å; H674-Y678 AromaticContact ND1-CZ 3.3Å; H674-Y678 VanDerWaalsContact ND1-CZ 3.3Å
675	G	88	Confident	86	Confident	15 Å²	15	61.5 Å²	61.5	16%	0.155	31%	0.314	C	S	.	.	S	Bend	trans	-89.8	-155.5	-174.7	0	0	0	0	0	115.1	E663 N673 Y677 Y678 N679	E663-G675 WeakPolarHBondContact OE1-CA 3.37Å; N673-G675 PolarHBondContact O-N 2.92Å; G675-Y677 VanDerWaalsContact C-N 3.3Å; G675-Y677 PolarHBondContact O-N 3.28Å; G675-Y678 WeakPolarHBondContact O-CB 3.33Å; G675-Y678 PolarHBondContact O-N 3.06Å; G675-N679 PolarHBondContact O-N 3.49Å; G675-N679 VanDerWaalsContact O-N 3.15Å; G675-N679 PolarHBondContact O-ND2 3.41Å; G675-N679 VanDerWaalsContact O-ND2 3.11Å
676	Y	85.9	Confident	84.4	Confident	55 Å²	55	63.8 Å²	63.8	22%	0.216	34%	0.338	C	S	.	.	H	α-helix	trans	-58	-40.6	174.3	-163.8	-89.7	0	0	0	112.1	Q478 V655 S657 V662 E663 N679 L680	Q478-Y676 VanDerWaalsContact CG-OH 3.25Å; Q478-Y676 WeakPolarHBondContact CG-OH 3.3Å; Q478-Y676 PolarHBondContact NE2-OH 3.32Å; V655-Y676 HydrophobicContact CG1-CD1 3.48Å; V655-Y676 VanDerWaalsContact CG1-CD1 3.48Å; V655-Y676 HydrophobicContact CG1-CE1 4.19Å; V655-Y676 HydrophobicContact CG1-CG 4.35Å; S657-Y676 PolarHBondContact OG-OH 2.97Å; V662-Y676 HydrophobicContact CG2-CD1 4.28Å; V662-Y676 HydrophobicContact CG2-CG 4.2Å; E663-Y676 PolarHBondContact OE1-N 2.83Å; E663-Y676 PolarHBondContact OE2-N 2.94Å; Y676-N679 PolarHBondContact O-N 3.33Å; Y676-L680 HydrophobicContact CD1-CD1 3.8Å; Y676-L680 HydrophobicContact CD1-CG 4.06Å; Y676-L680 HydrophobicContact CE1-CD1 3.69Å; Y676-L680 HydrophobicContact CE1-CD2 4.26Å; Y676-L680 HydrophobicContact CE1-CG 3.99Å; Y676-L680 WeakPolarHBondContact O-CG 3.47Å; Y676-L680 PolarHBondContact O-N 3.35Å; Y676-L680 VanDerWaalsContact O-N 3.08Å
677	Y	88.1	Confident	82.2	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-58.6	-49.9	174.8	-176	-103.2	0	0	0	112	V647 I653 V655 E663 H667 L670 M671 G675 N679 L680 V681	V647-Y677 HydrophobicContact CG1-CE2 3.8Å; V647-Y677 VanDerWaalsContact CG1-OH 3.23Å; V647-Y677 WeakPolarHBondContact CG1-OH 3.31Å; I653-Y677 HydrophobicContact CD1-CE2 4.29Å; I653-Y677 HydrophobicContact CG2-CD2 4.1Å; I653-Y677 HydrophobicContact CG2-CE2 3.88Å; V655-Y677 HydrophobicContact CG2-CD2 3.89Å; V655-Y677 HydrophobicContact CG2-CG 4.31Å; E663-Y677 VanDerWaalsContact OE2-CB 3.32Å; E663-Y677 WeakPolarHBondContact OE2-CB 3.14Å; E663-Y677 PolarHBondContact OE2-N 2.9Å; H667-Y677 AromaticContact CE1-CE1 3.94Å; H667-Y677 PolarHBondContact CE1-OH 3.16Å; H667-Y677 AromaticContact ND1-CE1 3.5Å; H667-Y677 WeakPolarHBondContact ND1-CE1 3.41Å; H667-Y677 AromaticContact ND1-CZ 3.59Å; H667-Y677 PolarHBondContact ND1-OH 3.3Å; L670-Y677 HydrophobicContact CB-CD1 3.37Å; L670-Y677 HydrophobicContact CB-CE1 4.08Å; L670-Y677 HydrophobicContact CB-CG 3.7Å; L670-Y677 HydrophobicContact CD1-CD1 4.18Å; L670-Y677 HydrophobicContact CD1-CD2 4Å; L670-Y677 HydrophobicContact CD1-CG 3.82Å; L670-Y677 HydrophobicContact CG-CD1 4.43Å; L670-Y677 HydrophobicContact CG-CG 4.37Å; M671-Y677 HydrophobicContact CG-CD1 4.47Å; M671-Y677 HydrophobicContact CG-CE1 4.1Å; M671-Y677 HydrophobicContact SD-CD1 4.1Å; M671-Y677 HydrophobicContact SD-CE1 3.86Å; G675-Y677 VanDerWaalsContact C-N 3.3Å; G675-Y677 PolarHBondContact O-N 3.28Å; Y677-N679 VanDerWaalsContact C-N 3.29Å; Y677-N679 PolarHBondContact O-N 3.19Å; Y677-L680 WeakPolarHBondContact O-CB 3.49Å; Y677-L680 PolarHBondContact O-N 2.93Å; Y677-V681 HydrophobicContact CD1-CG2 3.8Å; Y677-V681 HydrophobicContact CD2-CG2 4.5Å; Y677-V681 HydrophobicContact CE1-CG2 3.32Å; Y677-V681 HydrophobicContact CE2-CG2 4.1Å; Y677-V681 HydrophobicContact CG-CG2 4.36Å; Y677-V681 VanDerWaalsContact CZ-CG2 3.47Å; Y677-V681 VanDerWaalsContact O-CG2 3.31Å; Y677-V681 WeakPolarHBondContact O-CG2 3.49Å; Y677-V681 PolarHBondContact O-N 3.27Å
678	Y	87.6	Confident	79.7	Confident	54 Å²	54	70.1 Å²	70.1	21%	0.212	38%	0.376	C	S	.	.	H	α-helix	trans	-55.8	-45.1	179.7	179.7	-93.6	0	0	0	111.4	M671 H674 G675 L680 V681 Q682	M671-Y678 HydrophobicContact CE-CD2 3.62Å; M671-Y678 HydrophobicContact CE-CE2 3.81Å; M671-Y678 WeakPolarHBondContact O-CD2 3.42Å; M671-Y678 HydrophobicContact SD-CD2 3.99Å; H674-Y678 AromaticContact CE1-CE2 3.57Å; H674-Y678 AromaticContact CE1-CZ 3.69Å; H674-Y678 AromaticContact ND1-CD1 3.79Å; H674-Y678 AromaticContact ND1-CD2 3.53Å; H674-Y678 AromaticContact ND1-CE1 3.55Å; H674-Y678 AromaticContact ND1-CE2 3.29Å; H674-Y678 VanDerWaalsContact ND1-CE2 3.29Å; H674-Y678 WeakPolarHBondContact ND1-CE2 3.25Å; H674-Y678 AromaticContact ND1-CG 3.78Å; H674-Y678 AromaticContact ND1-CZ 3.3Å; H674-Y678 VanDerWaalsContact ND1-CZ 3.3Å; G675-Y678 WeakPolarHBondContact O-CB 3.33Å; G675-Y678 PolarHBondContact O-N 3.06Å; Y678-L680 VanDerWaalsContact C-N 3.34Å; Y678-L680 PolarHBondContact O-N 3.48Å; Y678-V681 PolarHBondContact O-N 3.03Å; Y678-Q682 HydrophobicContact CD1-CG 4.14Å; Y678-Q682 HydrophobicContact CE1-CG 3.75Å; Y678-Q682 PolarHBondContact O-N 3.15Å; Y678-Q682 PolarHBondContact OH-NE2 3.14Å
679	N	86.5	Confident	77.2	Confident	79 Å²	79	70.7 Å²	70.7	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-36.8	175.9	-72	-46.5	0	0	0	113.2	G675 Y676 Y677 R683	G675-N679 PolarHBondContact O-N 3.49Å; G675-N679 VanDerWaalsContact O-N 3.15Å; G675-N679 PolarHBondContact O-ND2 3.41Å; G675-N679 VanDerWaalsContact O-ND2 3.11Å; Y676-N679 PolarHBondContact O-N 3.33Å; Y677-N679 VanDerWaalsContact C-N 3.29Å; Y677-N679 PolarHBondContact O-N 3.19Å; N679-R683 WeakPolarHBondContact O-CG 3.29Å; N679-R683 PolarHBondContact O-N 3.27Å
680	L	84.1	Confident	74.7	Confident	27 Å²	27	74.6 Å²	74.6	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-67.4	-40.5	174.2	-71	177.7	0	0	0	111.8	V476 Q478 V655 Y676 Y677 Y678 Q684	V476-L680 HydrophobicContact CG1-CD1 3.92Å; Q478-L680 HydrophobicContact CG-CD2 4.16Å; V655-L680 HydrophobicContact CG1-CD1 4.4Å; Y676-L680 HydrophobicContact CD1-CD1 3.8Å; Y676-L680 HydrophobicContact CD1-CG 4.06Å; Y676-L680 HydrophobicContact CE1-CD1 3.69Å; Y676-L680 HydrophobicContact CE1-CD2 4.26Å; Y676-L680 HydrophobicContact CE1-CG 3.99Å; Y676-L680 WeakPolarHBondContact O-CG 3.47Å; Y676-L680 PolarHBondContact O-N 3.35Å; Y676-L680 VanDerWaalsContact O-N 3.08Å; Y677-L680 WeakPolarHBondContact O-CB 3.49Å; Y677-L680 PolarHBondContact O-N 2.93Å; Y678-L680 VanDerWaalsContact C-N 3.34Å; Y678-L680 PolarHBondContact O-N 3.48Å; L680-Q684 PolarHBondContact O-N 3.44Å
681	V	84.6	Confident	72.1	Confident	2 Å²	2	85.4 Å²	85.4	1%	0.012	45%	0.449	C	S	.	.	H	α-helix	trans	-64.2	-49.8	177.7	175.1	0	0	0	0	110.8	L644 M671 Y677 Y678 R683 Q684 E685	L644-V681 HydrophobicContact CD1-CG1 4.11Å; L644-V681 HydrophobicContact CD2-CB 3.98Å; L644-V681 HydrophobicContact CD2-CG1 3.6Å; L644-V681 HydrophobicContact CD2-CG2 3.56Å; L644-V681 HydrophobicContact CG-CG1 4.49Å; M671-V681 HydrophobicContact CE-CB 4.47Å; M671-V681 HydrophobicContact CE-CG1 3.99Å; M671-V681 HydrophobicContact SD-CB 3.92Å; M671-V681 HydrophobicContact SD-CG1 3.88Å; M671-V681 HydrophobicContact SD-CG2 3.78Å; Y677-V681 HydrophobicContact CD1-CG2 3.8Å; Y677-V681 HydrophobicContact CD2-CG2 4.5Å; Y677-V681 HydrophobicContact CE1-CG2 3.32Å; Y677-V681 HydrophobicContact CE2-CG2 4.1Å; Y677-V681 HydrophobicContact CG-CG2 4.36Å; Y677-V681 VanDerWaalsContact CZ-CG2 3.47Å; Y677-V681 VanDerWaalsContact O-CG2 3.31Å; Y677-V681 WeakPolarHBondContact O-CG2 3.49Å; Y677-V681 PolarHBondContact O-N 3.27Å; Y678-V681 PolarHBondContact O-N 3.03Å; V681-R683 VanDerWaalsContact C-N 3.28Å; V681-R683 PolarHBondContact O-N 3.34Å; V681-Q684 PolarHBondContact O-N 3.07Å; V681-E685 HydrophobicContact CG1-CG 4.14Å; V681-E685 PolarHBondContact O-N 3.39Å
682	Q	83.9	Confident	71.2	Confident	49 Å²	49	87.5 Å²	87.5	23%	0.229	46%	0.461	C	S	.	.	H	α-helix	trans	-56.9	-41.4	179.9	-76.7	-160.7	-35.7	0	0	112.6	Y678 Q684 E685 G686 C687	Y678-Q682 HydrophobicContact CD1-CG 4.14Å; Y678-Q682 HydrophobicContact CE1-CG 3.75Å; Y678-Q682 PolarHBondContact O-N 3.15Å; Y678-Q682 PolarHBondContact OH-NE2 3.14Å; Q682-Q684 VanDerWaalsContact C-N 3.26Å; Q682-Q684 PolarHBondContact O-N 3.32Å; Q682-E685 PolarHBondContact O-N 3.5Å; Q682-G686 PolarHBondContact O-N 2.88Å; Q682-C687 PolarHBondContact O-N 2.88Å
683	R	80.4	Confident	70.4	Confident	185 Å²	185	88.3 Å²	88.3	70%	0.698	45%	0.454	S	S	*	.	H	α-helix	trans	-63.9	-30	176.4	-74.1	176.7	-177.3	-173.4	1	113.4	N679 V681	N679-R683 WeakPolarHBondContact O-CG 3.29Å; N679-R683 PolarHBondContact O-N 3.27Å; V681-R683 VanDerWaalsContact C-N 3.28Å; V681-R683 PolarHBondContact O-N 3.34Å
684	Q	72.4	Confident	69.4	Low	97 Å²	97	87 Å²	87	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-85.9	-32	178.8	-73.2	-168.1	-4.4	0	0	113.3	H642 L644 L680 V681 Q682 G686	H642-Q684 PolarHBondContact O-NE2 3.37Å; H642-Q684 PolarHBondContact O-OE1 2.74Å; L644-Q684 HydrophobicContact CD1-CB 3.58Å; L644-Q684 HydrophobicContact CG-CB 4.37Å; L680-Q684 PolarHBondContact O-N 3.44Å; V681-Q684 PolarHBondContact O-N 3.07Å; Q682-Q684 VanDerWaalsContact C-N 3.26Å; Q682-Q684 PolarHBondContact O-N 3.32Å; Q684-G686 PolarHBondContact O-N 3.11Å
685	E	75	Confident	68.5	Low	90 Å²	90	85.1 Å²	85.1	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-74.2	-6.3	175.9	-68.2	-173.9	163.2	0	0	112.6	L644 R648 V681 Q682 C687	L644-E685 HydrophobicContact CD1-CG 3.63Å; R648-E685 IonicContact CZ-OE1 3.98Å; R648-E685 IonicContact NH2-OE1 2.74Å; R648-E685 PolarHBondContact NH2-OE1 3.36Å; V681-E685 HydrophobicContact CG1-CG 4.14Å; V681-E685 PolarHBondContact O-N 3.39Å; Q682-E685 PolarHBondContact O-N 3.5Å; E685-C687 PolarHBondContact O-N 2.91Å
686	G	58.8	Low	67.3	Low	54 Å²	54	89.4 Å²	89.4	56%	0.557	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	25.2	177.4	0	0	0	0	0	112.7	Q682 Q684 D688	Q682-G686 PolarHBondContact O-N 2.88Å; Q684-G686 PolarHBondContact O-N 3.11Å; G686-D688 VanDerWaalsContact C-N 3.32Å; G686-D688 PolarHBondContact O-N 3.49Å
687	C	44.4	Very low	66.1	Low	77 Å²	77	91.7 Å²	91.7	52%	0.52	47%	0.473	S	S	.	.			trans	-67.3	98.9	168.2	-74.8	0	0	0	0	108	Q682 E685 V689	Q682-C687 PolarHBondContact O-N 2.88Å; E685-C687 PolarHBondContact O-N 2.91Å; C687-V689 VanDerWaalsContact C-N 3.35Å; C687-V689 PolarHBondContact O-N 3.37Å
688	D	36.5	Very low	64.5	Low	140 Å²	140	98.1 Å²	98.1	75%	0.749	51%	0.507	S	S	*	.			trans	-48.4	98.6	164.1	-71.8	-39.8	0	0	0	108.8	G686 F690	G686-D688 VanDerWaalsContact C-N 3.32Å; G686-D688 PolarHBondContact O-N 3.49Å; D688-F690 HydrophobicContact CB-CD2 4.06Å; D688-F690 HydrophobicContact CB-CE2 4.4Å; D688-F690 PolarHBondContact O-N 3.02Å
689	V	38	Very low	62.7	Low	106 Å²	106	101.5 Å²	101.5	64%	0.642	53%	0.529	S	S	*	.			trans	-75.8	82.2	160.4	-176.2	0	0	0	0	105.3	C687	C687-V689 VanDerWaalsContact C-N 3.35Å; C687-V689 PolarHBondContact O-N 3.37Å
690	F	38.6	Very low	60.8	Low	185 Å²	185	103.4 Å²	103.4	81%	0.811	54%	0.538	S	S	*	.			trans	-76.3	119.5	147.8	-81.9	-81.2	0	0	0	105.9	D688	D688-F690 HydrophobicContact CB-CD2 4.06Å; D688-F690 HydrophobicContact CB-CE2 4.4Å; D688-F690 PolarHBondContact O-N 3.02Å
691	D	32.3	Very low	58.6	Low	229 Å²	229	110.4 Å²	110.4	100%	1.225	57%	0.574	S	S	*	*			trans	-39.8	0	-179.1	-77.2	-41.8	0	0	0	115.2

Retrieved 691 of 691 residues in 179.1 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).