A0A087Y709_POEFO Loading...

Mitochondrial ribonuclease P catalytic subunit

AlphaFold DB , UniProt , Accession A0A087Y709, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 593 aa.

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(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	30.5	Very low	29.2	Very low	251 Å²	251	169.6 Å²	169.6	100%	1.236	88%	0.879	S	S	*	*				0	102.4	0	-73.6	178.5	-178.4	0	0	106.4
2	G	28.3	Very low	28.9	Very low	66 Å²	66	164.2 Å²	164.2	68%	0.68	87%	0.865	S	S	*	*			trans	-91.6	138.9	-151.6	0	0	0	0	0	115.2	T4	G2-T4 PolarHBondContact O-N 3.05Å; G2-T4 VanDerWaalsContact O-N 3.1Å; G2-T4 PolarHBondContact O-OG1 3.25Å; G2-T4 VanDerWaalsContact O-OG1 3.09Å
3	S	29.8	Very low	29.1	Very low	134 Å²	134	164.1 Å²	164.1	94%	0.937	85%	0.853	S	S	*	*			trans	-52	101.1	168.4	-53	0	0	0	0	111.7
4	T	28.1	Very low	28.7	Very low	135 Å²	135	164.9 Å²	164.9	83%	0.828	85%	0.854	S	S	*	*			trans	-131.5	30.3	175.1	-23.3	0	0	0	0	111.6	G2	G2-T4 PolarHBondContact O-N 3.05Å; G2-T4 VanDerWaalsContact O-N 3.1Å; G2-T4 PolarHBondContact O-OG1 3.25Å; G2-T4 VanDerWaalsContact O-OG1 3.09Å
5	L	29.5	Very low	28.5	Very low	164 Å²	164	160.9 Å²	160.9	86%	0.859	85%	0.846	S	S	*	*			trans	-126.8	101.5	179.5	-88.1	121.1	0	0	0	108.6
6	L	31.9	Very low	28.6	Very low	171 Å²	171	158.4 Å²	158.4	90%	0.895	84%	0.842	S	S	*	*	S	Bend	trans	159.2	48.4	141.3	-81.9	160.5	0	0	0	112.3
7	L	30.8	Very low	28.5	Very low	162 Å²	162	159.6 Å²	159.6	85%	0.848	84%	0.842	S	S	*	*			trans	-143.9	47.2	155.7	-133.1	98.7	0	0	0	110.7
8	K	27.2	Very low	28.4	Very low	211 Å²	211	160.2 Å²	160.2	92%	0.917	84%	0.844	S	S	*	*			trans	-110.9	61.5	166	-83.1	-173.3	177.9	176.1	0	109.7
9	F	27.9	Very low	28.2	Very low	202 Å²	202	158.6 Å²	158.6	89%	0.886	84%	0.842	S	S	*	*			trans	-108.3	108.5	148.6	-96.1	-86.6	0	0	0	106.6	I11	F9-I11 PolarHBondContact O-N 3.46Å
10	R	26.3	Very low	28	Very low	231 Å²	231	156.3 Å²	156.3	87%	0.872	84%	0.839	S	S	*	*			trans	-53.7	106.7	171.1	-88.9	176.6	165.5	173	-5.4	108.5	C12	R10-C12 PolarHBondContact O-N 3Å
11	I	31.1	Very low	27.8	Very low	139 Å²	139	155.3 Å²	155.3	71%	0.713	84%	0.839	S	S	*	*			trans	-79	95.6	153	-57.7	176	0	0	0	105	F9 F13	F9-I11 PolarHBondContact O-N 3.46Å; I11-F13 HydrophobicContact CG2-CD2 3.56Å; I11-F13 HydrophobicContact CG2-CE2 3.56Å; I11-F13 PolarHBondContact O-N 3.45Å; I11-F13 VanDerWaalsContact O-N 3.1Å
12	C	25.5	Very low	27.7	Very low	104 Å²	104	147.7 Å²	147.7	70%	0.703	82%	0.816	S	S	*	*			trans	-69.4	97.9	171.2	-87.2	0	0	0	0	109.1	R10	R10-C12 PolarHBondContact O-N 3Å
13	F	31.3	Very low	27.5	Very low	163 Å²	163	156.4 Å²	156.4	72%	0.715	83%	0.828	S	S	*	*			trans	-98.7	111.9	152.9	-83.3	-78.1	0	0	0	107.9	I11	I11-F13 HydrophobicContact CG2-CD2 3.56Å; I11-F13 HydrophobicContact CG2-CE2 3.56Å; I11-F13 PolarHBondContact O-N 3.45Å; I11-F13 VanDerWaalsContact O-N 3.1Å
14	M	23.6	Very low	27.3	Very low	175 Å²	175	159.6 Å²	159.6	86%	0.862	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-63	134.1	171	-70.4	-104.5	75.9	0	0	109.6
15	S	25.2	Very low	27.2	Very low	105 Å²	105	161.2 Å²	161.2	73%	0.734	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.3	141.7	171.5	-47.9	0	0	0	0	111.3
16	P	30.9	Very low	26.9	Very low	122 Å²	122	158.9 Å²	158.9	79%	0.792	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.8	120.5	155.5	5.4	12.7	0	0	0	108.4
17	Q	26.1	Very low	26.6	Very low	178 Å²	178	157.1 Å²	157.1	83%	0.832	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-60.4	136.3	171.1	-68.8	179	-16.6	0	0	110.5	T19	Q17-T19 PolarHBondContact O-N 3.34Å
18	L	26.7	Very low	26.4	Very low	170 Å²	170	159.5 Å²	159.5	89%	0.89	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62.5	125.2	161.5	-92.8	86.2	0	0	0	109.4
19	T	24.6	Very low	26.2	Very low	130 Å²	130	157.8 Å²	157.8	80%	0.798	82%	0.819	S	S	*	*			trans	-130.1	108.7	150.3	49.6	0	0	0	0	109.4	Q17	Q17-T19 PolarHBondContact O-N 3.34Å
20	S	24.2	Very low	26.1	Very low	112 Å²	112	153.8 Å²	153.8	78%	0.783	81%	0.806	S	S	*	*			trans	-78.2	121.1	165.4	153.5	0	0	0	0	109.2
21	T	25.1	Very low	26.1	Very low	136 Å²	136	151.9 Å²	151.9	83%	0.834	80%	0.804	S	S	*	*			trans	-147.7	110.2	146.5	40.9	0	0	0	0	109.6
22	A	26.8	Very low	26.6	Very low	91 Å²	91	149.8 Å²	149.8	75%	0.752	80%	0.799	S	S	*	*			trans	-65.5	141.6	161.1	0	0	0	0	0	110.3
23	R	24.8	Very low	26.6	Very low	249 Å²	249	151.4 Å²	151.4	94%	0.94	80%	0.801	S	S	*	*			trans	-159.3	122.6	144.8	-105.2	171	-155.7	-169.2	6.1	110.2
24	F	25.9	Very low	26.4	Very low	202 Å²	202	151 Å²	151	89%	0.886	81%	0.806	S	S	*	*			trans	-45.4	146	158.7	-91.4	-107.4	0	0	0	111.5
25	L	25.4	Very low	26.5	Very low	168 Å²	168	146.5 Å²	146.5	88%	0.88	80%	0.804	S	S	*	*			trans	-162.5	115.7	137.2	-98.3	170	0	0	0	109.8
26	C	23.7	Very low	26.5	Very low	115 Å²	115	145 Å²	145	78%	0.777	81%	0.806	S	S	*	*			trans	-68.5	137.7	158.2	-77.3	0	0	0	0	109.5
27	T	26.6	Very low	26.3	Very low	135 Å²	135	151.8 Å²	151.8	83%	0.828	82%	0.815	S	S	*	*			trans	-143.2	127	143.6	42.9	0	0	0	0	110.4
28	R	25.2	Very low	26.2	Very low	211 Å²	211	150.6 Å²	150.6	80%	0.796	81%	0.809	S	S	*	*			trans	-59.7	147.5	163.7	-67.2	159.6	114.7	163.3	0.1	109
29	D	24.1	Very low	26.3	Very low	175 Å²	175	149.6 Å²	149.6	94%	0.936	81%	0.81	S	S	*	*			trans	-149.1	147	134.5	-95.7	-34.5	0	0	0	111.6
30	I	25.1	Very low	26.3	Very low	118 Å²	118	148.4 Å²	148.4	61%	0.605	80%	0.799	S	S	*	*			trans	-123.7	130.6	-153.8	-85.5	174	0	0	0	109.2
31	K	26.5	Very low	26.4	Very low	192 Å²	192	155.2 Å²	155.2	84%	0.835	81%	0.807	S	S	*	*			trans	74.6	170.8	144.7	-87.6	-179.3	-176.9	-175.9	0	121.1
32	P	40.4	Very low	26.5	Very low	94 Å²	94	156.7 Å²	156.7	61%	0.61	80%	0.803	S	S	*	*			cis	-141.1	173.9	-23.1	30.6	-10.4	0	0	0	115.8
33	N	25.9	Very low	26.5	Very low	138 Å²	138	159.3 Å²	159.3	74%	0.738	80%	0.804	S	S	*	*			trans	137.5	143.9	137.8	-76.1	-16.1	0	0	0	111.7
34	L	28.6	Very low	26.5	Very low	156 Å²	156	152.9 Å²	152.9	82%	0.817	80%	0.797	S	S	*	*			cis	-171.4	146.3	-10.6	-112.5	162.2	0	0	0	106.4
35	G	25.3	Very low	26.5	Very low	80 Å²	80	146.9 Å²	146.9	83%	0.825	79%	0.792	S	S	*	*			trans	84	124.9	162.1	0	0	0	0	0	115.5
36	G	24.2	Very low	26.6	Very low	74 Å²	74	148.1 Å²	148.1	76%	0.763	79%	0.793	S	S	*	*			cis	131.9	104.1	12.8	0	0	0	0	0	108.8
37	R	27.1	Very low	26.7	Very low	264 Å²	264	149.8 Å²	149.8	100%	0.996	80%	0.8	S	S	*	*			trans	-178.3	133	133.9	-103.8	173.9	-177.7	-179.9	1.3	111.7
38	Q	24.7	Very low	26.6	Very low	152 Å²	152	154.6 Å²	154.6	71%	0.71	80%	0.803	S	S	*	*			trans	-95.1	139.9	-175.4	178.8	-175.6	11.2	0	0	108.7	D40	Q38-D40 PolarHBondContact NE2-OD2 3.49Å
39	V	28.8	Very low	26.6	Very low	150 Å²	150	152.4 Å²	152.4	91%	0.909	81%	0.806	S	S	*	*			trans	-146	117.4	139.8	-173.1	0	0	0	0	108.7
40	D	24.5	Very low	26.7	Very low	105 Å²	105	148.5 Å²	148.5	56%	0.561	80%	0.798	S	S	*	*			trans	-64	147.9	171.6	-75.4	-70.8	0	0	0	113.4	Q38	Q38-D40 PolarHBondContact NE2-OD2 3.49Å
41	R	26	Very low	26.7	Very low	254 Å²	254	150.8 Å²	150.8	96%	0.958	81%	0.811	S	S	*	*				-155	125	123.1	-118.3	175.1	175.9	174.4	-1.4	112.5
42	K	26.9	Very low	26.5	Very low	168 Å²	168	153 Å²	153	73%	0.73	81%	0.814	S	S	*	*			trans	-72.5	155.9	-175.2	-78.8	171.5	166.2	172	0	114.4
43	N	26.4	Very low	25.7	Very low	145 Å²	145	154.7 Å²	154.7	78%	0.775	82%	0.823	S	S	*	*			trans	55.7	153.1	132.9	-70.9	1.8	0	0	0	118.7
44	S	26	Very low	25.7	Very low	115 Å²	115	156.2 Å²	156.2	80%	0.804	83%	0.829	S	S	*	*			cis	-174.3	151	6.7	32.1	0	0	0	0	103.1
45	G	25.4	Very low	25.4	Very low	75 Å²	75	159.5 Å²	159.5	77%	0.773	83%	0.831	S	S	*	*				161	142.3	60	0	0	0	0	0	108.5
46	Q	27.5	Very low	25.4	Very low	194 Å²	194	165 Å²	165	91%	0.907	83%	0.834	S	S	*	*			trans	-79.8	145.7	169.4	-71.2	170.3	-32.5	0	0	109.8
47	T	25.3	Very low	25.3	Very low	150 Å²	150	164.6 Å²	164.6	92%	0.92	83%	0.83	S	S	*	*			trans	-151.6	137.8	137.4	-7.3	0	0	0	0	112.8
48	R	24.5	Very low	25.1	Very low	236 Å²	236	159 Å²	159	89%	0.891	83%	0.826	S	S	*	*			trans	-75	153	176.9	-71	165.9	150.9	176	-6.9	112.9
49	I	25.2	Very low	24.9	Very low	166 Å²	166	155.6 Å²	155.6	85%	0.851	83%	0.831	S	S	*	*			trans	-149.3	106.9	148.6	-55.6	-177.3	0	0	0	105.6
50	A	25.5	Very low	24.6	Very low	93 Å²	93	156.4 Å²	156.4	77%	0.769	83%	0.83	S	S	*	*				76	113.7	69.8	0	0	0	0	0	115.2
51	N	25.5	Very low	24.6	Very low	166 Å²	166	157.2 Å²	157.2	89%	0.888	84%	0.839	S	S	*	*			trans	-84.4	150	175.5	-83.2	-22.5	0	0	0	113.1
52	R	23	Very low	24.5	Very low	238 Å²	238	152.4 Å²	152.4	90%	0.898	83%	0.832	S	S	*	*			trans	-171.3	108.5	148.6	-107.2	176.4	178.5	-175.3	-0.8	108.9
53	T	23.9	Very low	24.3	Very low	129 Å²	129	150 Å²	150	79%	0.791	83%	0.832	S	S	*	*				55.9	118	90.9	-29	0	0	0	0	116.3
54	I	25	Very low	24.2	Very low	171 Å²	171	152.4 Å²	152.4	88%	0.877	84%	0.835	S	S	*	*			trans	-149	139.8	143.1	-82.8	165.5	0	0	0	109.1
55	R	22.9	Very low	24	Very low	225 Å²	225	156.7 Å²	156.7	85%	0.849	84%	0.84	S	S	*	*			trans	-104.7	154	175.5	-82.3	176.8	167.2	178.2	-4.1	111.3
56	H	25.1	Very low	23.8	Very low	194 Å²	194	158.6 Å²	158.6	90%	0.898	84%	0.841	S	S	*	*			trans	-168.6	128.8	141.9	-92	-69.1	0	0	0	105.4
57	G	21.4	Very low	23.6	Very low	66 Å²	66	154 Å²	154	68%	0.68	83%	0.83	S	S	*	*			cis	79.8	119.8	47.8	0	0	0	0	0	109.2
58	T	23	Very low	23.4	Very low	148 Å²	148	155.1 Å²	155.1	91%	0.908	83%	0.827	S	S	*	*			cis	-174.7	157.5	22.1	35.5	0	0	0	0	110.8
59	G	21.7	Very low	23.4	Very low	79 Å²	79	151.3 Å²	151.3	81%	0.814	82%	0.823	S	S	*	*			trans	87.2	129.7	157	0	0	0	0	0	115.4
60	D	22.7	Very low	23.3	Very low	167 Å²	167	150.5 Å²	150.5	89%	0.893	82%	0.82	S	S	*	*				-170	168.3	50.3	-142.1	-15.7	0	0	0	112.1
61	V	24.2	Very low	23.2	Very low	122 Å²	122	155.3 Å²	155.3	74%	0.739	83%	0.827	S	S	*	*			trans	-87.5	133.6	-169.5	171.9	0	0	0	0	112.9
62	N	23.1	Very low	23.1	Very low	154 Å²	154	151.3 Å²	151.3	82%	0.824	81%	0.808	S	S	*	*			trans	-168.1	138.1	135.3	-112.2	-31.5	0	0	0	115.8
63	T	23.9	Very low	23.1	Very low	116 Å²	116	145.5 Å²	145.5	71%	0.712	80%	0.804	S	S	*	*			trans	-59.5	140.1	176.6	39.2	0	0	0	0	115.6
64	K	22.7	Very low	23.2	Very low	197 Å²	197	145.1 Å²	145.1	86%	0.857	79%	0.792	S	S	*	*				177.8	127.7	128.9	-97.7	163.4	-174.4	178.6	0	113.7
65	K	23.5	Very low	23.3	Very low	205 Å²	205	141.4 Å²	141.4	89%	0.891	78%	0.779	S	S	*	*			trans	42.1	101.1	152.7	-67.1	-176.9	176	-177.2	0	118.5	S67	K65-S67 PolarHBondContact O-N 3.22Å
66	S	20.9	Very low	23.4	Very low	114 Å²	114	141 Å²	141	80%	0.797	78%	0.783	S	S	*	*			trans	-78.3	112.7	166.2	-175.3	0	0	0	0	110.6
67	S	22.7	Very low	23.7	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	76%	0.76	S	S	*	*			trans	-83.4	112.7	152.4	57.1	0	0	0	0	107.3	K65 L69	K65-S67 PolarHBondContact O-N 3.22Å; S67-L69 PolarHBondContact O-N 3.21Å
68	M	21.4	Very low	23.9	Very low	172 Å²	172	135.2 Å²	135.2	85%	0.847	75%	0.75	S	S	*	*			trans	-66.5	96.3	173.5	-84.5	-175.7	162.8	0	0	109.7	L70	M68-L70 PolarHBondContact O-N 2.77Å
69	L	23.6	Very low	24.5	Very low	156 Å²	156	131 Å²	131	82%	0.817	72%	0.719	S	S	*	*			trans	-74.9	108.8	156.4	-81.2	156.3	0	0	0	106.7	S67 Q71	S67-L69 PolarHBondContact O-N 3.21Å; L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 3.3Å
70	L	23.8	Very low	25.1	Very low	150 Å²	150	129.3 Å²	129.3	79%	0.785	70%	0.697	S	S	*	*			trans	-64.5	98.1	165.9	-105.8	95.5	0	0	0	108	M68 T72	M68-L70 PolarHBondContact O-N 2.77Å; L70-T72 HydrophobicContact CD2-CG2 4.11Å; L70-T72 PolarHBondContact O-N 2.91Å
71	Q	22.3	Very low	25.3	Very low	194 Å²	194	122.5 Å²	122.5	91%	0.907	66%	0.664	S	S	*	*			trans	-89.4	87.7	170.9	-158.2	173.8	15.7	0	0	107.4	L69	L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 3.3Å
72	T	23.5	Very low	25.7	Very low	81 Å²	81	118 Å²	118	50%	0.497	64%	0.643	S	S	.	*			trans	-93.5	112.4	172.5	54.7	0	0	0	0	109.3	L70 F74	L70-T72 HydrophobicContact CD2-CG2 4.11Å; L70-T72 PolarHBondContact O-N 2.91Å; T72-F74 HydrophobicContact CG2-CE2 4.06Å; T72-F74 PolarHBondContact O-N 2.75Å; T72-F74 WeakPolarHBondContact OG1-CD2 3.23Å; T72-F74 VanDerWaalsContact OG1-CE2 3.24Å; T72-F74 WeakPolarHBondContact OG1-CE2 3.31Å
73	S	23.7	Very low	26.4	Very low	116 Å²	116	114 Å²	114	81%	0.811	62%	0.624	S	S	*	*			trans	-64.6	122.4	170.8	51.3	0	0	0	0	110.2
74	F	27.1	Very low	27.1	Very low	122 Å²	122	110.7 Å²	110.7	54%	0.535	61%	0.608	S	S	.	*			trans	-139.4	148.5	179.5	-79.5	-64.8	0	0	0	114.8	T72	T72-F74 HydrophobicContact CG2-CE2 4.06Å; T72-F74 PolarHBondContact O-N 2.75Å; T72-F74 WeakPolarHBondContact OG1-CD2 3.23Å; T72-F74 VanDerWaalsContact OG1-CE2 3.24Å; T72-F74 WeakPolarHBondContact OG1-CE2 3.31Å
75	P	26	Very low	27.8	Very low	93 Å²	93	105.6 Å²	105.6	60%	0.604	59%	0.586	S	S	*	*			trans	-82.2	171.6	-169.1	35.4	-36.4	0	0	0	113.5	F77	P75-F77 PolarHBondContact O-N 3.34Å
76	K	26.1	Very low	28.3	Very low	215 Å²	215	101.4 Å²	101.4	94%	0.935	57%	0.565	S	S	*	*			trans	-54.9	114.6	-177.1	-68.9	178.8	177.9	-179.6	0	112.1
77	F	30.4	Very low	29	Very low	94 Å²	94	97.1 Å²	97.1	41%	0.412	53%	0.534	S	S	.	.			trans	-74.3	121.5	178	-59.6	-88.2	0	0	0	112.3	P75 F79	P75-F77 PolarHBondContact O-N 3.34Å; F77-F79 HydrophobicContact CB-CD2 3.55Å; F77-F79 HydrophobicContact CB-CE1 4.21Å; F77-F79 HydrophobicContact CB-CE2 3.01Å; F77-F79 HydrophobicContact CB-CG 4.35Å; F77-F79 HydrophobicContact CB-CZ 3.41Å; F77-F79 VanDerWaalsContact CB-CZ 3.41Å; F77-F79 HydrophobicContact CD1-CE1 4.09Å; F77-F79 HydrophobicContact CD1-CE2 4.07Å; F77-F79 AromaticContact CD1-CZ 3.5Å; F77-F79 HydrophobicContact CD1-CZ 3.5Å; F77-F79 HydrophobicContact CD2-CE2 4.1Å; F77-F79 HydrophobicContact CD2-CZ 4.14Å; F77-F79 HydrophobicContact CE1-CZ 4.28Å; F77-F79 HydrophobicContact CG-CD2 4.47Å; F77-F79 HydrophobicContact CG-CE1 4.35Å; F77-F79 AromaticContact CG-CE2 3.5Å; F77-F79 HydrophobicContact CG-CE2 3.5Å; F77-F79 AromaticContact CG-CZ 3.43Å; F77-F79 HydrophobicContact CG-CZ 3.43Å; F77-F79 VanDerWaalsContact CG-CZ 3.43Å
78	G	26.3	Very low	29.6	Very low	46 Å²	46	94.9 Å²	94.9	47%	0.474	52%	0.521	S	S	.	.			trans	-81.6	130.1	152.7	0	0	0	0	0	108	G274	G78-G274 CarbonylContact O-C 3.57Å; G78-G274 WeakPolarHBondContact O-CA 3.28Å
79	F	34.7	Very low	30	Very low	59 Å²	59	92.4 Å²	92.4	26%	0.259	51%	0.508	S	S	.	.			trans	-119.5	114.9	-179.5	-75.6	-73	0	0	0	111.8	F77 N320 K515	F77-F79 HydrophobicContact CB-CD2 3.55Å; F77-F79 HydrophobicContact CB-CE1 4.21Å; F77-F79 HydrophobicContact CB-CE2 3.01Å; F77-F79 HydrophobicContact CB-CG 4.35Å; F77-F79 HydrophobicContact CB-CZ 3.41Å; F77-F79 VanDerWaalsContact CB-CZ 3.41Å; F77-F79 HydrophobicContact CD1-CE1 4.09Å; F77-F79 HydrophobicContact CD1-CE2 4.07Å; F77-F79 AromaticContact CD1-CZ 3.5Å; F77-F79 HydrophobicContact CD1-CZ 3.5Å; F77-F79 HydrophobicContact CD2-CE2 4.1Å; F77-F79 HydrophobicContact CD2-CZ 4.14Å; F77-F79 HydrophobicContact CE1-CZ 4.28Å; F77-F79 HydrophobicContact CG-CD2 4.47Å; F77-F79 HydrophobicContact CG-CE1 4.35Å; F77-F79 AromaticContact CG-CE2 3.5Å; F77-F79 HydrophobicContact CG-CE2 3.5Å; F77-F79 AromaticContact CG-CZ 3.43Å; F77-F79 HydrophobicContact CG-CZ 3.43Å; F77-F79 VanDerWaalsContact CG-CZ 3.43Å; F79-N320 WeakPolarHBondContact CD1-OD1 3.49Å; F79-N320 WeakPolarHBondContact CE1-OD1 3.36Å; F79-K515 HydrophobicContact CB-CD 4.49Å
80	A	33.7	Very low	30.3	Very low	43 Å²	43	89.2 Å²	89.2	36%	0.355	49%	0.491	S	S	.	.			trans	-81.5	118.2	159.7	0	0	0	0	0	109.9
81	A	28.2	Very low	30.8	Very low	24 Å²	24	86.6 Å²	86.6	20%	0.198	48%	0.476	C	S	.	.			trans	-145.9	130.7	167.6	0	0	0	0	0	110.2	N320 L322	A81-N320 HydrophobicContact CB-CB 4.42Å; A81-N320 WeakPolarHBondContact CB-O 3.4Å; A81-L322 HydrophobicContact CB-CD2 4.36Å
82	G	31.3	Very low	31.3	Very low	28 Å²	28	79 Å²	79	29%	0.289	44%	0.44	S	S	.	.			trans	109.7	55.1	176.3	0	0	0	0	0	115	T87 R512	G82-T87 PolarHBondContact O-OG1 2.97Å; G82-R512 PolarHBondContact O-NH2 2.86Å
83	T	38.8	Very low	31.7	Very low	71 Å²	71	84.9 Å²	84.9	44%	0.436	45%	0.453	S	S	.	.			trans	-108.2	85.2	179.8	9.4	0	0	0	0	109.2	T87	T83-T87 VanDerWaalsContact CA-OG1 3.32Å; T83-T87 WeakPolarHBondContact CA-OG1 3.1Å; T83-T87 HydrophobicContact CG2-CG2 3.2Å; T83-T87 WeakPolarHBondContact CG2-OG1 3.46Å
84	A	38.4	Very low	31.9	Very low	45 Å²	45	88.2 Å²	88.2	37%	0.372	45%	0.453	S	S	.	.	S	Bend	trans	-133.4	-52.5	163.5	0	0	0	0	0	110.6
85	K	36.9	Very low	31.9	Very low	91 Å²	91	84.6 Å²	84.6	40%	0.396	45%	0.445	S	S	.	.	S	Bend	trans	-114.8	-42.3	179.1	-141.2	164	-169	159.7	0	113.9	A88 E89 D576 T579	K85-A88 WeakPolarHBondContact O-CB 3.32Å; K85-A88 PolarHBondContact O-N 2.84Å; K85-E89 PolarHBondContact O-N 3.23Å; K85-D576 PolarHBondContact NZ-O 3.01Å; K85-D576 VanDerWaalsContact NZ-O 3.1Å; K85-T579 HydrophobicContact CB-CG2 4.25Å
86	R	34.9	Very low	32	Very low	116 Å²	116	85.6 Å²	85.6	44%	0.438	45%	0.452	S	S	.	.	H	α-helix	trans	-80.3	-18.7	-176	-144	178.6	-167.3	-177.1	2	114.6	E89 L90 T579	R86-E89 CarbonylContact O-C 3.55Å; R86-E89 PolarHBondContact O-N 3.25Å; R86-L90 WeakPolarHBondContact O-CA 3.38Å; R86-L90 WeakPolarHBondContact O-CB 3.34Å; R86-L90 PolarHBondContact O-N 3.31Å; R86-T579 HydrophobicContact CB-CG2 4.01Å
87	T	35.8	Very low	32.1	Very low	24 Å²	24	79.6 Å²	79.6	15%	0.147	44%	0.442	C	S	.	.	H	α-helix	trans	-80.3	-24.8	171.8	-50.1	0	0	0	0	111.8	G82 T83 E89 M91	G82-T87 PolarHBondContact O-OG1 2.97Å; T83-T87 VanDerWaalsContact CA-OG1 3.32Å; T83-T87 WeakPolarHBondContact CA-OG1 3.1Å; T83-T87 HydrophobicContact CG2-CG2 3.2Å; T83-T87 WeakPolarHBondContact CG2-OG1 3.46Å; T87-E89 PolarHBondContact O-N 3.47Å; T87-M91 HydrophobicContact CG2-CE 3.59Å; T87-M91 HydrophobicContact CG2-CG 3.59Å; T87-M91 HydrophobicContact CG2-SD 3.57Å; T87-M91 VanDerWaalsContact CG2-SD 3.57Å; T87-M91 WeakPolarHBondContact O-CB 3.39Å; T87-M91 VanDerWaalsContact O-CG 3.31Å; T87-M91 WeakPolarHBondContact O-CG 3.37Å; T87-M91 PolarHBondContact O-N 2.79Å; T87-M91 VanDerWaalsContact O-N 3.1Å
88	A	34.1	Very low	32.3	Very low	52 Å²	52	77.9 Å²	77.9	43%	0.43	44%	0.439	S	S	.	.	H	α-helix	trans	-68.2	-19.6	164.6	0	0	0	0	0	112.7	K85 K92	K85-A88 WeakPolarHBondContact O-CB 3.32Å; K85-A88 PolarHBondContact O-N 2.84Å; A88-K92 VanDerWaalsContact O-CD 3.27Å; A88-K92 WeakPolarHBondContact O-CD 3.41Å; A88-K92 WeakPolarHBondContact O-CE 3.31Å; A88-K92 WeakPolarHBondContact O-CG 3.49Å; A88-K92 PolarHBondContact O-NZ 3.49Å
89	E	31.1	Very low	32.7	Very low	121 Å²	121	81 Å²	81	57%	0.565	44%	0.44	S	S	*	.	H	α-helix	trans	-108	-20.6	179.3	-96	178.6	145.9	0	0	115	K85 R86 T87 K92	K85-E89 PolarHBondContact O-N 3.23Å; R86-E89 CarbonylContact O-C 3.55Å; R86-E89 PolarHBondContact O-N 3.25Å; T87-E89 PolarHBondContact O-N 3.47Å; E89-K92 WeakPolarHBondContact O-CB 3.43Å
90	L	29.7	Very low	32.4	Very low	88 Å²	88	80 Å²	80	46%	0.461	44%	0.436	S	S	.	.	H	α-helix	trans	-98.8	-29.3	-179.7	-163.8	78.3	0	0	0	111.5	R86 K92 R93 K94	R86-L90 WeakPolarHBondContact O-CA 3.38Å; R86-L90 WeakPolarHBondContact O-CB 3.34Å; R86-L90 PolarHBondContact O-N 3.31Å; L90-K92 PolarHBondContact O-N 2.88Å; L90-R93 PolarHBondContact O-N 3.41Å; L90-K94 PolarHBondContact O-N 3.32Å
91	M	33.8	Very low	32.4	Very low	95 Å²	95	82 Å²	82	47%	0.468	44%	0.438	S	S	.	.	H	α-helix	trans	-59.2	-38.4	160.7	-68.1	-176.2	165	0	0	108.7	T87 R93 K94 A95 E100	T87-M91 HydrophobicContact CG2-CE 3.59Å; T87-M91 HydrophobicContact CG2-CG 3.59Å; T87-M91 HydrophobicContact CG2-SD 3.57Å; T87-M91 VanDerWaalsContact CG2-SD 3.57Å; T87-M91 WeakPolarHBondContact O-CB 3.39Å; T87-M91 VanDerWaalsContact O-CG 3.31Å; T87-M91 WeakPolarHBondContact O-CG 3.37Å; T87-M91 PolarHBondContact O-N 2.79Å; T87-M91 VanDerWaalsContact O-N 3.1Å; M91-R93 PolarHBondContact O-N 3.16Å; M91-K94 PolarHBondContact O-N 3.21Å; M91-A95 PolarHBondContact O-N 2.83Å; M91-E100 VanDerWaalsContact CA-OE1 3.29Å; M91-E100 WeakPolarHBondContact CA-OE1 3.23Å; M91-E100 WeakPolarHBondContact CB-OE1 3.44Å; M91-E100 VanDerWaalsContact O-CD 3.28Å; M91-E100 VanDerWaalsContact O-CG 3.27Å; M91-E100 WeakPolarHBondContact O-CG 3.18Å
92	K	32.8	Very low	32.9	Very low	35 Å²	35	86.3 Å²	86.3	15%	0.152	45%	0.454	C	S	.	.	H	α-helix	trans	-49.4	-21.8	172.5	-84.9	177.3	-164.6	130.7	0	116.3	A88 E89 L90 E100 E103	A88-K92 VanDerWaalsContact O-CD 3.27Å; A88-K92 WeakPolarHBondContact O-CD 3.41Å; A88-K92 WeakPolarHBondContact O-CE 3.31Å; A88-K92 WeakPolarHBondContact O-CG 3.49Å; A88-K92 PolarHBondContact O-NZ 3.49Å; E89-K92 WeakPolarHBondContact O-CB 3.43Å; L90-K92 PolarHBondContact O-N 2.88Å; K92-E100 WeakPolarHBondContact CA-OE1 3.34Å; K92-E100 WeakPolarHBondContact CA-OE2 3.4Å; K92-E100 WeakPolarHBondContact CB-OE2 3.34Å; K92-E100 WeakPolarHBondContact CG-OE2 3.25Å; K92-E100 PolarHBondContact N-OE1 3.02Å; K92-E100 PolarHBondContact N-OE2 2.79Å; K92-E103 HydrophobicContact CD-CB 4.21Å; K92-E103 WeakPolarHBondContact CE-OE2 3.38Å; K92-E103 IonicContact NZ-OE1 3.21Å; K92-E103 PolarHBondContact NZ-OE1 3.23Å; K92-E103 IonicContact NZ-OE2 3.14Å; K92-E103 PolarHBondContact NZ-OE2 2.91Å
93	R	31.3	Very low	32.9	Very low	204 Å²	204	89.8 Å²	89.8	77%	0.77	46%	0.463	S	S	*	.	H	α-helix	trans	-122	-6.7	-172.1	-71.2	-177.6	169.8	-179	-0.3	114.5	L90 M91	L90-R93 PolarHBondContact O-N 3.41Å; M91-R93 PolarHBondContact O-N 3.16Å
94	K	28.7	Very low	32.4	Very low	187 Å²	187	92.1 Å²	92.1	81%	0.813	47%	0.469	S	S	*	.	H	α-helix	trans	-141.2	8.2	-177.1	-80.8	-168.2	175.8	-177.9	0	117	L90 M91	L90-K94 PolarHBondContact O-N 3.32Å; M91-K94 PolarHBondContact O-N 3.21Å
95	A	26.1	Very low	32.3	Very low	46 Å²	46	92.9 Å²	92.9	38%	0.38	47%	0.465	S	S	.	.	S	Bend	trans	-76.3	145.6	164.2	0	0	0	0	0	110.8	M91 A97 E100	M91-A95 PolarHBondContact O-N 2.83Å; A95-A97 PolarHBondContact O-N 2.89Å; A95-E100 HydrophobicContact CB-CG 4.14Å
96	P	29.4	Very low	32	Very low	114 Å²	114	94.2 Å²	94.2	74%	0.74	47%	0.472	S	S	*	.			trans	-57.8	133.5	157.5	26.8	-29.8	0	0	0	107.4	V98	P96-V98 VanDerWaalsContact C-N 3.3Å; P96-V98 PolarHBondContact O-N 3.03Å
97	A	28.7	Very low	31.7	Very low	88 Å²	88	96.6 Å²	96.6	73%	0.727	49%	0.488	S	S	*	.	S	Bend	trans	-59.3	68.5	-161.6	0	0	0	0	0	116.1	A95	A95-A97 PolarHBondContact O-N 2.89Å
98	V	33.9	Very low	31.6	Very low	59 Å²	59	102.4 Å²	102.4	36%	0.358	51%	0.514	S	S	.	.	S	Bend	trans	-128.7	-17.6	-179.2	-170.4	0	0	0	0	113.7	P96	P96-V98 VanDerWaalsContact C-N 3.3Å; P96-V98 PolarHBondContact O-N 3.03Å
99	F	34.2	Very low	31.9	Very low	110 Å²	110	104.1 Å²	104.1	48%	0.482	51%	0.513	S	S	.	.	S	Bend	trans	-134.7	12.4	177.4	-81.5	-79.3	0	0	0	115.4
100	E	28.8	Very low	32.1	Very low	39 Å²	39	106.2 Å²	106.2	18%	0.182	52%	0.52	C	S	.	.			trans	-105.6	13	176.5	-60	-62.2	170.6	0	0	113.5	M91 K92 A95 E102	M91-E100 VanDerWaalsContact CA-OE1 3.29Å; M91-E100 WeakPolarHBondContact CA-OE1 3.23Å; M91-E100 WeakPolarHBondContact CB-OE1 3.44Å; M91-E100 VanDerWaalsContact O-CD 3.28Å; M91-E100 VanDerWaalsContact O-CG 3.27Å; M91-E100 WeakPolarHBondContact O-CG 3.18Å; K92-E100 WeakPolarHBondContact CA-OE1 3.34Å; K92-E100 WeakPolarHBondContact CA-OE2 3.4Å; K92-E100 WeakPolarHBondContact CB-OE2 3.34Å; K92-E100 WeakPolarHBondContact CG-OE2 3.25Å; K92-E100 PolarHBondContact N-OE1 3.02Å; K92-E100 PolarHBondContact N-OE2 2.79Å; A95-E100 HydrophobicContact CB-CG 4.14Å; E100-E102 PolarHBondContact O-N 3.04Å
101	E	33.8	Very low	32.3	Very low	85 Å²	85	112.7 Å²	112.7	40%	0.397	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	8.6	169.2	-84.1	-170.4	-168.6	0	0	112.6	H105 R180	E101-H105 WeakPolarHBondContact O-CB 3.48Å; E101-R180 IonicContact OE2-CZ 3.06Å; E101-R180 IonicContact OE2-NH1 2.63Å; E101-R180 PolarHBondContact OE2-NH1 3.34Å; E101-R180 IonicContact OE2-NH2 2.69Å; E101-R180 PolarHBondContact OE2-NH2 3.42Å; E101-R180 VanDerWaalsContact OE2-NH2 3.11Å
102	E	38	Very low	32.6	Very low	115 Å²	115	115.7 Å²	115.7	54%	0.537	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.5	-14.3	-176.4	-72	-168.5	152.2	0	0	115.1	E100 K187	E100-E102 PolarHBondContact O-N 3.04Å; E102-K187 IonicContact OE1-NZ 2.78Å; E102-K187 PolarHBondContact OE1-NZ 2.84Å
103	E	30.9	Very low	32.9	Very low	101 Å²	101	120.3 Å²	120.3	47%	0.472	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.6	-29.7	173.5	-75.1	-177.8	-154.7	0	0	116.2	K92 H105 E106	K92-E103 HydrophobicContact CD-CB 4.21Å; K92-E103 WeakPolarHBondContact CE-OE2 3.38Å; K92-E103 IonicContact NZ-OE1 3.21Å; K92-E103 PolarHBondContact NZ-OE1 3.23Å; K92-E103 IonicContact NZ-OE2 3.14Å; K92-E103 PolarHBondContact NZ-OE2 2.91Å; E103-H105 PolarHBondContact O-N 3.43Å; E103-E106 PolarHBondContact O-N 3.18Å; E103-E106 VanDerWaalsContact O-N 3.12Å
104	Q	28.3	Very low	33.6	Very low	119 Å²	119	113.8 Å²	113.8	56%	0.556	58%	0.58	S	S	*	*	H	α-helix	trans	-69.6	-26.7	171.6	-74.8	-178.1	-4	0	0	111.6	E106 E108	Q104-E106 VanDerWaalsContact C-N 3.35Å; Q104-E108 PolarHBondContact O-N 3.38Å
105	H	37.1	Very low	34.8	Very low	62 Å²	62	113.9 Å²	113.9	29%	0.287	58%	0.581	S	S	.	*	H	α-helix	trans	-70.9	-28.2	170.8	-113.2	-44.3	0	0	0	111.3	E101 E103 E107 Q109	E101-H105 WeakPolarHBondContact O-CB 3.48Å; E103-H105 PolarHBondContact O-N 3.43Å; H105-E107 PolarHBondContact O-N 3.39Å; H105-Q109 VanDerWaalsContact CB-CD 3.44Å; H105-Q109 HydrophobicContact CB-CG 4.15Å; H105-Q109 VanDerWaalsContact CB-NE2 3.3Å; H105-Q109 PolarHBondContact ND1-NE2 3.1Å; H105-Q109 VanDerWaalsContact ND1-NE2 3.13Å; H105-Q109 VanDerWaalsContact O-CA 3.26Å; H105-Q109 WeakPolarHBondContact O-CA 3.5Å; H105-Q109 WeakPolarHBondContact O-CB 3.26Å; H105-Q109 WeakPolarHBondContact O-CG 3.35Å; H105-Q109 PolarHBondContact O-N 3.04Å; H105-Q109 PolarHBondContact O-OE1 2.79Å; H105-Q109 VanDerWaalsContact O-OE1 3.12Å
106	E	31.1	Very low	36.5	Very low	118 Å²	118	113.3 Å²	113.3	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-67.7	-34.7	176.6	-73.7	-168.7	153.1	0	0	113.3	E103 Q104 K110	E103-E106 PolarHBondContact O-N 3.18Å; E103-E106 VanDerWaalsContact O-N 3.12Å; Q104-E106 VanDerWaalsContact C-N 3.35Å; E106-K110 WeakPolarHBondContact O-CB 3.07Å; E106-K110 WeakPolarHBondContact O-CG 3.35Å; E106-K110 PolarHBondContact O-N 3.4Å
107	E	28.6	Very low	39	Very low	166 Å²	166	115.3 Å²	115.3	78%	0.776	57%	0.573	S	S	*	*	H	α-helix	trans	-79.8	-32.4	177	-76.9	-169.5	152.3	0	0	113.1	H105	H105-E107 PolarHBondContact O-N 3.39Å
108	E	33.2	Very low	41.7	Very low	147 Å²	147	112.2 Å²	112.2	69%	0.687	55%	0.546	S	S	*	.	H	α-helix	trans	-80.7	-26.6	169.3	-96.2	-180	161	0	0	113.6	Q104 R111	Q104-E108 PolarHBondContact O-N 3.38Å; E108-R111 PolarHBondContact O-N 3.31Å
109	Q	40.2	Very low	44.3	Very low	88 Å²	88	110.3 Å²	110.3	41%	0.411	53%	0.534	S	S	.	.	H	α-helix	trans	-82.8	-19.2	177.5	-69.1	160.5	-11.3	0	0	112.7	H105 R111 M112	H105-Q109 VanDerWaalsContact CB-CD 3.44Å; H105-Q109 HydrophobicContact CB-CG 4.15Å; H105-Q109 VanDerWaalsContact CB-NE2 3.3Å; H105-Q109 PolarHBondContact ND1-NE2 3.1Å; H105-Q109 VanDerWaalsContact ND1-NE2 3.13Å; H105-Q109 VanDerWaalsContact O-CA 3.26Å; H105-Q109 WeakPolarHBondContact O-CA 3.5Å; H105-Q109 WeakPolarHBondContact O-CB 3.26Å; H105-Q109 WeakPolarHBondContact O-CG 3.35Å; H105-Q109 PolarHBondContact O-N 3.04Å; H105-Q109 PolarHBondContact O-OE1 2.79Å; H105-Q109 VanDerWaalsContact O-OE1 3.12Å; Q109-R111 PolarHBondContact O-N 3.08Å; Q109-M112 PolarHBondContact O-N 2.83Å
110	K	35	Very low	46.9	Very low	164 Å²	164	114.6 Å²	114.6	71%	0.713	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-16.6	164.8	-88.9	176.3	179.9	167.9	0	113.1	E106	E106-K110 WeakPolarHBondContact O-CB 3.07Å; E106-K110 WeakPolarHBondContact O-CG 3.35Å; E106-K110 PolarHBondContact O-N 3.4Å
111	R	34.4	Very low	50	Low	225 Å²	225	119 Å²	119	85%	0.849	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-4.1	176.7	-88.9	-178.9	169.2	-177.3	-2.3	115	E108 Q109	E108-R111 PolarHBondContact O-N 3.31Å; Q109-R111 PolarHBondContact O-N 3.08Å
112	M	40.9	Very low	52.8	Low	158 Å²	158	117.9 Å²	117.9	78%	0.778	57%	0.571	S	S	*	*			trans	-117.9	57.1	172	-71.5	-151.9	-59.6	0	0	112.1	Q109 G114	Q109-M112 PolarHBondContact O-N 2.83Å; M112-G114 PolarHBondContact O-N 2.72Å
113	T	38.9	Very low	55.5	Low	132 Å²	132	113.7 Å²	113.7	81%	0.81	55%	0.552	S	S	*	*			trans	-81.4	97.1	162.4	48.3	0	0	0	0	109.4
114	G	44.6	Very low	58.5	Low	66 Å²	66	114.4 Å²	114.4	68%	0.68	56%	0.558	S	S	*	*	S	Bend	trans	162.5	100.6	163.5	0	0	0	0	0	115	M112	M112-G114 PolarHBondContact O-N 2.72Å
115	K	53.8	Low	61.6	Low	190 Å²	190	110.7 Å²	110.7	83%	0.826	55%	0.545	S	S	*	.	S	Bend	trans	136.9	-16.6	131	-75.9	-175.3	175	-178	0	118.9
116	C	63.7	Low	64.2	Low	34 Å²	34	110.7 Å²	110.7	23%	0.23	56%	0.555	C	S	.	*			trans	-107.6	108.7	-177.8	-152.5	0	0	0	0	111.9	M145 T148	C116-M145 WeakPolarHBondContact SG-CE 3.02Å; C116-T148 WeakPolarHBondContact O-CG2 2.89Å
117	Q	80.1	Confident	67.2	Low	155 Å²	155	107.7 Å²	107.7	72%	0.724	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-92.4	141.1	166.1	-71.6	-69.2	-12.3	0	0	108.6
118	P	85.8	Confident	70.3	Confident	23 Å²	23	99.8 Å²	99.8	15%	0.149	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-68.4	149.1	175.2	31	-34.1	0	0	0	110.4	T148 L149 C152	P118-T148 HydrophobicContact CB-CG2 4.4Å; P118-T148 HydrophobicContact CG-CG2 4.47Å; P118-L149 HydrophobicContact CB-CD2 3.54Å; P118-L149 HydrophobicContact CB-CG 4.37Å; P118-C152 HydrophobicContact CG-CB 3.68Å
119	P	89.7	Confident	73.1	Confident	19 Å²	19	97.5 Å²	97.5	12%	0.123	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-59.1	147.8	170.4	-22.7	34	0	0	0	111.8	R121 L123 W128 L131 I158	P119-R121 VanDerWaalsContact C-N 3.31Å; P119-R121 WeakPolarHBondContact CB-O 3.31Å; P119-L123 HydrophobicContact CB-CD1 3.86Å; P119-L123 HydrophobicContact CB-CD2 4.29Å; P119-L123 HydrophobicContact CB-CG 3.89Å; P119-L123 HydrophobicContact CG-CD1 3.54Å; P119-L123 HydrophobicContact CG-CG 4.04Å; P119-W128 HydrophobicContact CG-CH2 3.61Å; P119-W128 HydrophobicContact CG-CZ2 4.26Å; P119-W128 HydrophobicContact CG-CZ3 3.97Å; P119-L131 HydrophobicContact CG-CD2 3.94Å; P119-I158 HydrophobicContact CB-CG2 4.27Å; P119-I158 HydrophobicContact CG-CG2 4.39Å; P119-I158 WeakPolarHBondContact O-CD1 3.45Å
120	E	88.9	Confident	75.6	Confident	200 Å²	200	97.9 Å²	97.9	94%	0.935	50%	0.497	S	S	*	.	S	Bend	trans	-79.1	-16.4	176.9	-63.2	-178.3	173.7	0	0	113
121	R	92.9	Very high	78.2	Confident	133 Å²	133	92.1 Å²	92.1	50%	0.502	47%	0.474	S	S	.	.	S	Bend	trans	-138.9	159.7	-179.8	66	169.4	176.8	83.7	-3.3	111.4	P119 L123 E127	P119-R121 VanDerWaalsContact C-N 3.31Å; P119-R121 WeakPolarHBondContact CB-O 3.31Å; R121-L123 HydrophobicContact CG-CD2 4.32Å; R121-L123 PolarHBondContact O-N 2.69Å; R121-E127 IonicContact CZ-OE1 3.78Å; R121-E127 IonicContact CZ-OE2 3.85Å; R121-E127 IonicContact NH1-OE1 3.24Å; R121-E127 PolarHBondContact NH1-OE1 2.82Å; R121-E127 IonicContact NH1-OE2 3.94Å; R121-E127 PolarHBondContact NH1-OE2 2.85Å; R121-E127 IonicContact NH2-OE1 2.71Å; R121-E127 PolarHBondContact NH2-OE1 2.78Å; R121-E127 IonicContact NH2-OE2 3.77Å
122	P	93.6	Very high	80.9	Confident	61 Å²	61	83.4 Å²	83.4	40%	0.396	44%	0.441	S	S	.	.			trans	-55.4	134.4	168.3	-23.3	34.4	0	0	0	110.7	N157 I158	P122-N157 HydrophobicContact CG-CB 3.68Å; P122-I158 HydrophobicContact CG-CG1 4.33Å
123	L	94.4	Very high	83.2	Confident	26 Å²	26	80.1 Å²	80.1	14%	0.136	42%	0.424	C	S	.	.			trans	-105.8	148.2	-179.5	-61.1	-176.2	0	0	0	110.9	P119 R121 E127 W128 L131 S161	P119-L123 HydrophobicContact CB-CD1 3.86Å; P119-L123 HydrophobicContact CB-CD2 4.29Å; P119-L123 HydrophobicContact CB-CG 3.89Å; P119-L123 HydrophobicContact CG-CD1 3.54Å; P119-L123 HydrophobicContact CG-CG 4.04Å; R121-L123 HydrophobicContact CG-CD2 4.32Å; R121-L123 PolarHBondContact O-N 2.69Å; L123-E127 WeakPolarHBondContact CA-OE2 3.23Å; L123-E127 HydrophobicContact CB-CB 3.95Å; L123-E127 HydrophobicContact CD1-CB 4.44Å; L123-E127 HydrophobicContact CD2-CB 4.35Å; L123-E127 HydrophobicContact CG-CB 4.48Å; L123-W128 HydrophobicContact CB-CD2 4.13Å; L123-W128 HydrophobicContact CB-CG 4.09Å; L123-W128 HydrophobicContact CB-CZ2 4.36Å; L123-W128 HydrophobicContact CD1-CD2 4.12Å; L123-W128 HydrophobicContact CD1-CE3 4.2Å; L123-W128 HydrophobicContact CD1-CZ2 4.43Å; L123-W128 HydrophobicContact CD1-CZ3 4.39Å; L123-W128 HydrophobicContact CG-CZ2 4.49Å; L123-W128 PolarHBondContact O-NE1 3.02Å; L123-L131 HydrophobicContact CD1-CD2 3.93Å; L123-S161 PolarHBondContact N-OG 3.37Å; L123-S161 WeakPolarHBondContact O-CB 3.32Å
124	L	93.8	Very high	85.5	Confident	116 Å²	116	78.1 Å²	78.1	61%	0.607	42%	0.415	S	S	*	.			trans	-72	158.6	170	-65.2	175.9	0	0	0	110.8	A126 E127 W128	L124-A126 PolarHBondContact O-N 2.69Å; L124-A126 VanDerWaalsContact O-N 3.17Å; L124-E127 HydrophobicContact CB-CG 4.23Å; L124-E127 PolarHBondContact N-OE2 3.31Å; L124-E127 WeakPolarHBondContact O-CB 3.15Å; L124-E127 PolarHBondContact O-N 3.18Å; L124-W128 PolarHBondContact O-N 2.88Å
125	P	92.8	Very high	87.5	Confident	41 Å²	41	77 Å²	77	27%	0.266	39%	0.393	S	S	.	.	H	α-helix	trans	-55.2	-35.3	179.6	-27.6	34.7	0	0	0	114.5	K129 F165 M168	P125-K129 PolarHBondContact O-N 2.89Å; P125-K129 VanDerWaalsContact O-N 3.11Å; P125-F165 HydrophobicContact CB-CD2 4.14Å; P125-F165 VanDerWaalsContact O-CD2 3.23Å; P125-F165 WeakPolarHBondContact O-CD2 3.49Å; P125-F165 WeakPolarHBondContact O-CE2 3.48Å; P125-M168 HydrophobicContact CB-SD 4.19Å; P125-M168 HydrophobicContact CG-CE 4.15Å; P125-M168 HydrophobicContact CG-SD 3.48Å; P125-M168 WeakPolarHBondContact CG-SD 3.31Å
126	A	92.2	Very high	88.8	Confident	62 Å²	62	70.8 Å²	70.8	51%	0.512	38%	0.383	S	S	.	.	H	α-helix	trans	-66.4	-44.2	174.9	0	0	0	0	0	111.8	L124 W128 K129 D130	L124-A126 PolarHBondContact O-N 2.69Å; L124-A126 VanDerWaalsContact O-N 3.17Å; A126-W128 VanDerWaalsContact C-N 3.32Å; A126-W128 PolarHBondContact O-N 3.47Å; A126-K129 WeakPolarHBondContact O-CB 3.42Å; A126-K129 PolarHBondContact O-N 3.33Å; A126-K129 VanDerWaalsContact O-N 3.1Å; A126-D130 VanDerWaalsContact O-CG 3.3Å; A126-D130 PolarHBondContact O-N 2.73Å
127	E	93.6	Very high	89.7	Confident	56 Å²	56	73.5 Å²	73.5	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-36.2	177.8	-61.3	179.4	130.4	0	0	111.7	R121 L123 L124 K129 D130 L131	R121-E127 IonicContact CZ-OE1 3.78Å; R121-E127 IonicContact CZ-OE2 3.85Å; R121-E127 IonicContact NH1-OE1 3.24Å; R121-E127 PolarHBondContact NH1-OE1 2.82Å; R121-E127 IonicContact NH1-OE2 3.94Å; R121-E127 PolarHBondContact NH1-OE2 2.85Å; R121-E127 IonicContact NH2-OE1 2.71Å; R121-E127 PolarHBondContact NH2-OE1 2.78Å; R121-E127 IonicContact NH2-OE2 3.77Å; L123-E127 WeakPolarHBondContact CA-OE2 3.23Å; L123-E127 HydrophobicContact CB-CB 3.95Å; L123-E127 HydrophobicContact CD1-CB 4.44Å; L123-E127 HydrophobicContact CD2-CB 4.35Å; L123-E127 HydrophobicContact CG-CB 4.48Å; L124-E127 HydrophobicContact CB-CG 4.23Å; L124-E127 PolarHBondContact N-OE2 3.31Å; L124-E127 WeakPolarHBondContact O-CB 3.15Å; L124-E127 PolarHBondContact O-N 3.18Å; E127-K129 VanDerWaalsContact C-N 3.34Å; E127-D130 PolarHBondContact O-N 3.1Å; E127-L131 WeakPolarHBondContact O-CB 3.45Å; E127-L131 PolarHBondContact O-N 2.83Å
128	W	94.3	Very high	89.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.3	-38.4	172.4	-83.5	116.8	0	0	0	112.6	P119 L123 L124 A126 L131 R132 F141 M145 I158 S161 L162 F165	P119-W128 HydrophobicContact CG-CH2 3.61Å; P119-W128 HydrophobicContact CG-CZ2 4.26Å; P119-W128 HydrophobicContact CG-CZ3 3.97Å; L123-W128 HydrophobicContact CB-CD2 4.13Å; L123-W128 HydrophobicContact CB-CG 4.09Å; L123-W128 HydrophobicContact CB-CZ2 4.36Å; L123-W128 HydrophobicContact CD1-CD2 4.12Å; L123-W128 HydrophobicContact CD1-CE3 4.2Å; L123-W128 HydrophobicContact CD1-CZ2 4.43Å; L123-W128 HydrophobicContact CD1-CZ3 4.39Å; L123-W128 HydrophobicContact CG-CZ2 4.49Å; L123-W128 PolarHBondContact O-NE1 3.02Å; L124-W128 PolarHBondContact O-N 2.88Å; A126-W128 VanDerWaalsContact C-N 3.32Å; A126-W128 PolarHBondContact O-N 3.47Å; W128-L131 HydrophobicContact CE3-CD2 3.98Å; W128-L131 HydrophobicContact CZ3-CD2 3.8Å; W128-R132 WeakPolarHBondContact O-CB 3.19Å; W128-R132 PolarHBondContact O-N 2.95Å; W128-F141 HydrophobicContact CE3-CE1 4.12Å; W128-F141 HydrophobicContact CE3-CZ 4.16Å; W128-F141 HydrophobicContact CZ3-CE1 4.46Å; W128-F141 HydrophobicContact CZ3-CZ 4.25Å; W128-M145 HydrophobicContact CH2-CG 3.94Å; W128-M145 HydrophobicContact CH2-SD 4.33Å; W128-M145 HydrophobicContact CZ3-CE 4.04Å; W128-M145 HydrophobicContact CZ3-CG 3.75Å; W128-M145 HydrophobicContact CZ3-SD 4.15Å; W128-I158 HydrophobicContact CH2-CG2 4.41Å; W128-I158 HydrophobicContact CZ2-CG2 4.23Å; W128-S161 WeakPolarHBondContact CZ2-OG 3.22Å; W128-S161 VanDerWaalsContact NE1-C 3.3Å; W128-S161 PolarHBondContact NE1-O 3.2Å; W128-S161 PolarHBondContact NE1-OG 3.12Å; W128-L162 HydrophobicContact CD2-CD1 4.08Å; W128-L162 HydrophobicContact CE3-CD1 3.88Å; W128-L162 HydrophobicContact CH2-CB 4.05Å; W128-L162 HydrophobicContact CH2-CD1 4.14Å; W128-L162 HydrophobicContact CZ2-CB 3.7Å; W128-L162 HydrophobicContact CZ2-CD1 4.33Å; W128-L162 HydrophobicContact CZ3-CD1 3.91Å; W128-F165 HydrophobicContact CB-CB 3.86Å; W128-F165 HydrophobicContact CB-CD1 3.69Å; W128-F165 HydrophobicContact CB-CD2 3.55Å; W128-F165 HydrophobicContact CB-CE1 4.09Å; W128-F165 HydrophobicContact CB-CE2 3.96Å; W128-F165 HydrophobicContact CB-CG 3.39Å; W128-F165 HydrophobicContact CB-CZ 4.21Å; W128-F165 HydrophobicContact CG-CB 3.83Å; W128-F165 HydrophobicContact CG-CD1 4.14Å; W128-F165 HydrophobicContact CG-CD2 4.43Å; W128-F165 AromaticContact CG-CG 3.87Å; W128-F165 HydrophobicContact CG-CG 3.87Å
129	K	91.5	Very high	89.2	Confident	98 Å²	98	76.9 Å²	76.9	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-48.7	175.9	-171.9	-179	173.8	-174.3	0	110.8	P125 A126 E127 L131 R132 E133 F165	P125-K129 PolarHBondContact O-N 2.89Å; P125-K129 VanDerWaalsContact O-N 3.11Å; A126-K129 WeakPolarHBondContact O-CB 3.42Å; A126-K129 PolarHBondContact O-N 3.33Å; A126-K129 VanDerWaalsContact O-N 3.1Å; E127-K129 VanDerWaalsContact C-N 3.34Å; K129-L131 VanDerWaalsContact C-N 3.31Å; K129-L131 PolarHBondContact O-N 3.25Å; K129-R132 PolarHBondContact O-N 2.96Å; K129-E133 WeakPolarHBondContact CE-OE1 3.41Å; K129-E133 WeakPolarHBondContact O-CG 3.34Å; K129-E133 PolarHBondContact O-N 2.83Å; K129-F165 HydrophobicContact CB-CE2 4.02Å; K129-F165 HydrophobicContact CB-CZ 4.49Å
130	D	91.8	Very high	89	Confident	97 Å²	97	82.8 Å²	82.8	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-60	-42.4	177.8	-62.4	-17.7	0	0	0	111.1	A126 E127 E133 S134	A126-D130 VanDerWaalsContact O-CG 3.3Å; A126-D130 PolarHBondContact O-N 2.73Å; E127-D130 PolarHBondContact O-N 3.1Å; D130-E133 PolarHBondContact O-N 3.33Å; D130-S134 WeakPolarHBondContact O-CB 3.49Å; D130-S134 PolarHBondContact O-N 3.31Å
131	L	90.7	Very high	89.1	Confident	43 Å²	43	73.6 Å²	73.6	23%	0.225	39%	0.386	C	S	.	.	H	α-helix	trans	-62	-45.7	177	-179.1	60.4	0	0	0	111.7	P119 L123 E127 W128 K129 E133 S134 L135 F141 M145	P119-L131 HydrophobicContact CG-CD2 3.94Å; L123-L131 HydrophobicContact CD1-CD2 3.93Å; E127-L131 WeakPolarHBondContact O-CB 3.45Å; E127-L131 PolarHBondContact O-N 2.83Å; W128-L131 HydrophobicContact CE3-CD2 3.98Å; W128-L131 HydrophobicContact CZ3-CD2 3.8Å; K129-L131 VanDerWaalsContact C-N 3.31Å; K129-L131 PolarHBondContact O-N 3.25Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 2.94Å; L131-S134 PolarHBondContact O-N 2.7Å; L131-S134 PolarHBondContact O-OG 3.33Å; L131-L135 HydrophobicContact CD1-CD1 4.06Å; L131-L135 HydrophobicContact CG-CD1 4.17Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 3Å; L131-F141 HydrophobicContact CD2-CZ 4.44Å; L131-F141 HydrophobicContact CG-CZ 4.38Å; L131-M145 HydrophobicContact CD2-CE 4Å
132	R	90.1	Very high	89.1	Confident	42 Å²	42	67.8 Å²	67.8	16%	0.158	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-42.4	177	-176.9	-177	68.6	-164.2	-4.3	111.9	W128 K129 L135 G136 N137 F141 E169	W128-R132 WeakPolarHBondContact O-CB 3.19Å; W128-R132 PolarHBondContact O-N 2.95Å; K129-R132 PolarHBondContact O-N 2.96Å; R132-L135 PolarHBondContact O-N 2.97Å; R132-G136 PolarHBondContact O-N 2.9Å; R132-N137 PolarHBondContact O-N 3.44Å; R132-F141 HydrophobicContact CB-CD1 3.91Å; R132-F141 HydrophobicContact CB-CD2 4.31Å; R132-F141 HydrophobicContact CB-CE1 3.88Å; R132-F141 HydrophobicContact CB-CE2 4.29Å; R132-F141 HydrophobicContact CB-CG 4.12Å; R132-F141 HydrophobicContact CB-CZ 4.07Å; R132-F141 HydrophobicContact CG-CB 3.98Å; R132-F141 HydrophobicContact CG-CD1 3.8Å; R132-F141 HydrophobicContact CG-CD2 4.05Å; R132-F141 HydrophobicContact CG-CE1 4.3Å; R132-F141 HydrophobicContact CG-CG 3.65Å; R132-E169 IonicContact CZ-OE1 3.2Å; R132-E169 IonicContact CZ-OE2 3.8Å; R132-E169 IonicContact NH1-OE1 2.83Å; R132-E169 PolarHBondContact NH1-OE1 3.08Å; R132-E169 IonicContact NH1-OE2 2.73Å; R132-E169 PolarHBondContact NH1-OE2 3.36Å; R132-E169 IonicContact NH2-OE1 2.7Å; R132-E169 PolarHBondContact NH2-OE1 3.42Å
133	E	90.3	Very high	89	Confident	89 Å²	89	65.4 Å²	65.4	42%	0.416	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-43.8	177.8	-73.2	177.4	-171.7	0	0	111.2	K129 D130 L131 L135 G136 N137	K129-E133 WeakPolarHBondContact CE-OE1 3.41Å; K129-E133 WeakPolarHBondContact O-CG 3.34Å; K129-E133 PolarHBondContact O-N 2.83Å; D130-E133 PolarHBondContact O-N 3.33Å; L131-E133 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 2.94Å; E133-L135 PolarHBondContact O-N 3.35Å; E133-G136 PolarHBondContact O-N 2.73Å; E133-N137 WeakPolarHBondContact CA-OD1 3.21Å; E133-N137 WeakPolarHBondContact CG-OD1 3.33Å
134	S	87.5	Confident	88.9	Confident	90 Å²	90	68.2 Å²	68.2	63%	0.629	36%	0.362	S	S	*	.	H	α-helix	trans	-61.4	-27.4	177.1	78.4	0	0	0	0	113.5	D130 L131 G136	D130-S134 WeakPolarHBondContact O-CB 3.49Å; D130-S134 PolarHBondContact O-N 3.31Å; L131-S134 PolarHBondContact O-N 2.7Å; L131-S134 PolarHBondContact O-OG 3.33Å; S134-G136 VanDerWaalsContact C-N 3.29Å
135	L	85.3	Confident	88.9	Confident	41 Å²	41	62.8 Å²	62.8	22%	0.215	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8.6	177.7	-67	169.7	0	0	0	113.1	L131 R132 E133 F141	L131-L135 HydrophobicContact CD1-CD1 4.06Å; L131-L135 HydrophobicContact CG-CD1 4.17Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 3Å; R132-L135 PolarHBondContact O-N 2.97Å; E133-L135 PolarHBondContact O-N 3.35Å; L135-F141 HydrophobicContact CD1-CE2 3.76Å
136	G	82.3	Confident	88.9	Confident	60 Å²	60	60.8 Å²	60.8	62%	0.619	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	25.7	174.4	0	0	0	0	0	114.5	R132 E133 S134 Q138	R132-G136 PolarHBondContact O-N 2.9Å; E133-G136 PolarHBondContact O-N 2.73Å; S134-G136 VanDerWaalsContact C-N 3.29Å; G136-Q138 VanDerWaalsContact C-N 3.32Å; G136-Q138 PolarHBondContact O-N 2.78Å
137	N	81.6	Confident	88.8	Confident	91 Å²	91	60.7 Å²	60.7	49%	0.487	31%	0.311	S	S	.	.			trans	50.5	48.6	177.3	-75.3	-41.5	0	0	0	113.5	R132 E133 E139	R132-N137 PolarHBondContact O-N 3.44Å; E133-N137 WeakPolarHBondContact CA-OD1 3.21Å; E133-N137 WeakPolarHBondContact CG-OD1 3.33Å; N137-E139 PolarHBondContact O-N 2.72Å
138	Q	78	Confident	88.7	Confident	77 Å²	77	58.5 Å²	58.5	36%	0.36	30%	0.302	S	S	.	.			trans	-57.6	137.1	-180	-67.4	178	-10.9	0	0	111.8	G136 F141 Q144	G136-Q138 VanDerWaalsContact C-N 3.32Å; G136-Q138 PolarHBondContact O-N 2.78Å; Q138-F141 WeakPolarHBondContact O-CB 3.37Å; Q138-F141 PolarHBondContact O-N 3.24Å; Q138-Q144 VanDerWaalsContact OE1-OE1 3.09Å
139	E	77.1	Confident	88.6	Confident	173 Å²	173	58.5 Å²	58.5	81%	0.808	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	138.9	169.1	-69.1	-171.8	172.5	0	0	110.3	N137 F141 Q144	N137-E139 PolarHBondContact O-N 2.72Å; E139-F141 PolarHBondContact O-N 2.91Å; E139-Q144 PolarHBondContact O-NE2 2.67Å
140	R	87	Confident	88.3	Confident	142 Å²	142	57.5 Å²	57.5	54%	0.536	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	30.7	-179.3	-50.4	175.9	71.5	-169.7	1.4	113.6	D142 I143 Q144 E176	R140-D142 PolarHBondContact O-N 2.85Å; R140-D142 VanDerWaalsContact O-N 3.15Å; R140-I143 HydrophobicContact CB-CB 4.45Å; R140-I143 PolarHBondContact O-N 2.89Å; R140-Q144 PolarHBondContact O-N 3.4Å; R140-Q144 VanDerWaalsContact O-N 3.11Å; R140-E176 IonicContact CZ-OE1 3.92Å; R140-E176 IonicContact CZ-OE2 3.73Å; R140-E176 IonicContact NH2-OE1 2.71Å; R140-E176 PolarHBondContact NH2-OE1 2.93Å; R140-E176 IonicContact NH2-OE2 2.63Å; R140-E176 PolarHBondContact NH2-OE2 3.29Å
141	F	91.1	Very high	88.1	Confident	7 Å²	7	60.4 Å²	60.4	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-45.5	-42.7	174.7	169.2	-102	0	0	0	113.1	W128 L131 R132 L135 Q138 E139 Q144 M145 L162	W128-F141 HydrophobicContact CE3-CE1 4.12Å; W128-F141 HydrophobicContact CE3-CZ 4.16Å; W128-F141 HydrophobicContact CZ3-CE1 4.46Å; W128-F141 HydrophobicContact CZ3-CZ 4.25Å; L131-F141 HydrophobicContact CD2-CZ 4.44Å; L131-F141 HydrophobicContact CG-CZ 4.38Å; R132-F141 HydrophobicContact CB-CD1 3.91Å; R132-F141 HydrophobicContact CB-CD2 4.31Å; R132-F141 HydrophobicContact CB-CE1 3.88Å; R132-F141 HydrophobicContact CB-CE2 4.29Å; R132-F141 HydrophobicContact CB-CG 4.12Å; R132-F141 HydrophobicContact CB-CZ 4.07Å; R132-F141 HydrophobicContact CG-CB 3.98Å; R132-F141 HydrophobicContact CG-CD1 3.8Å; R132-F141 HydrophobicContact CG-CD2 4.05Å; R132-F141 HydrophobicContact CG-CE1 4.3Å; R132-F141 HydrophobicContact CG-CG 3.65Å; L135-F141 HydrophobicContact CD1-CE2 3.76Å; Q138-F141 WeakPolarHBondContact O-CB 3.37Å; Q138-F141 PolarHBondContact O-N 3.24Å; E139-F141 PolarHBondContact O-N 2.91Å; F141-Q144 PolarHBondContact O-N 2.9Å; F141-M145 HydrophobicContact CE2-CE 3.72Å; F141-M145 HydrophobicContact CZ-CB 4.4Å; F141-M145 HydrophobicContact CZ-CE 3.68Å; F141-M145 WeakPolarHBondContact O-CB 3.47Å; F141-M145 PolarHBondContact O-N 3.06Å; F141-L162 HydrophobicContact CE1-CD1 4.34Å
142	D	91.9	Very high	87.9	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.064	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-46	179	48.7	-28.5	0	0	0	113.1	R140 M146 V166 K170 L177	R140-D142 PolarHBondContact O-N 2.85Å; R140-D142 VanDerWaalsContact O-N 3.15Å; D142-M146 WeakPolarHBondContact O-CB 3.46Å; D142-M146 PolarHBondContact O-N 3.39Å; D142-V166 HydrophobicContact CB-CG2 3.58Å; D142-K170 IonicContact OD1-NZ 3.57Å; D142-K170 IonicContact OD2-NZ 2.8Å; D142-K170 PolarHBondContact OD2-NZ 2.89Å; D142-L177 HydrophobicContact CB-CD1 4.33Å; D142-L177 HydrophobicContact CB-CD2 4.23Å
143	I	92.3	Very high	87.6	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-44.7	177.5	-58	-61.4	0	0	0	110.8	R140 M146 N147 E176 L177	R140-I143 HydrophobicContact CB-CB 4.45Å; R140-I143 PolarHBondContact O-N 2.89Å; I143-M146 PolarHBondContact O-N 3.49Å; I143-N147 VanDerWaalsContact O-CG 3.31Å; I143-N147 PolarHBondContact O-N 2.87Å; I143-N147 PolarHBondContact O-ND2 2.96Å; I143-E176 HydrophobicContact CD1-CB 4.18Å; I143-E176 HydrophobicContact CD1-CG 3.96Å; I143-L177 VanDerWaalsContact CD1-CA 3.5Å; I143-L177 HydrophobicContact CD1-CB 3.64Å; I143-L177 HydrophobicContact CD1-CD1 4.04Å; I143-L177 HydrophobicContact CD1-CG 4.43Å
144	Q	91.3	Very high	87.4	Confident	86 Å²	86	59.2 Å²	59.2	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-41.3	-179.8	-64.4	-176.2	22.2	0	0	112.2	Q138 E139 R140 F141 N147 T148	Q138-Q144 VanDerWaalsContact OE1-OE1 3.09Å; E139-Q144 PolarHBondContact O-NE2 2.67Å; R140-Q144 PolarHBondContact O-N 3.4Å; R140-Q144 VanDerWaalsContact O-N 3.11Å; F141-Q144 PolarHBondContact O-N 2.9Å; Q144-N147 PolarHBondContact O-N 3.31Å; Q144-T148 WeakPolarHBondContact O-CB 3.47Å; Q144-T148 PolarHBondContact O-N 2.83Å; Q144-T148 PolarHBondContact O-OG1 2.8Å
145	M	93.6	Very high	87.5	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-44.5	175.1	-177.6	60.3	69.3	0	0	110.8	C116 W128 L131 F141 N147 T148 L149 L162	C116-M145 WeakPolarHBondContact SG-CE 3.02Å; W128-M145 HydrophobicContact CH2-CG 3.94Å; W128-M145 HydrophobicContact CH2-SD 4.33Å; W128-M145 HydrophobicContact CZ3-CE 4.04Å; W128-M145 HydrophobicContact CZ3-CG 3.75Å; W128-M145 HydrophobicContact CZ3-SD 4.15Å; L131-M145 HydrophobicContact CD2-CE 4Å; F141-M145 HydrophobicContact CE2-CE 3.72Å; F141-M145 HydrophobicContact CZ-CB 4.4Å; F141-M145 HydrophobicContact CZ-CE 3.68Å; F141-M145 WeakPolarHBondContact O-CB 3.47Å; F141-M145 PolarHBondContact O-N 3.06Å; M145-N147 VanDerWaalsContact C-N 3.32Å; M145-N147 PolarHBondContact O-N 3.19Å; M145-T148 WeakPolarHBondContact O-CA 3.17Å; M145-T148 WeakPolarHBondContact O-CB 3.14Å; M145-T148 PolarHBondContact O-N 3.23Å; M145-L149 HydrophobicContact CG-CD1 4.23Å; M145-L149 HydrophobicContact CG-CG 4.45Å; M145-L149 WeakPolarHBondContact O-CG 3.04Å; M145-L149 PolarHBondContact O-N 2.93Å; M145-L149 HydrophobicContact SD-CG 4.46Å; M145-L162 HydrophobicContact CB-CD2 3.85Å; M145-L162 HydrophobicContact CG-CD1 4.36Å; M145-L162 HydrophobicContact CG-CD2 3.65Å
146	M	94	Very high	87.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-41.6	176.6	-171.7	61.1	72.6	0	0	112.2	D142 I143 T148 L149 F150 A159 L162 L163 L177 R180 Y181 L184	D142-M146 WeakPolarHBondContact O-CB 3.46Å; D142-M146 PolarHBondContact O-N 3.39Å; I143-M146 PolarHBondContact O-N 3.49Å; M146-T148 VanDerWaalsContact C-N 3.3Å; M146-T148 PolarHBondContact O-N 2.86Å; M146-L149 PolarHBondContact O-N 3.48Å; M146-F150 WeakPolarHBondContact O-CB 3.33Å; M146-F150 PolarHBondContact O-N 3.24Å; M146-A159 HydrophobicContact CE-CB 4.15Å; M146-A159 HydrophobicContact SD-CB 3.96Å; M146-L162 HydrophobicContact CB-CD2 4.35Å; M146-L162 HydrophobicContact CE-CD2 4.11Å; M146-L163 HydrophobicContact CE-CD2 4.06Å; M146-L163 HydrophobicContact CE-CG 4.19Å; M146-L177 HydrophobicContact CB-CD1 4.01Å; M146-L177 HydrophobicContact CE-CD1 4.04Å; M146-L177 HydrophobicContact CG-CD1 4.31Å; M146-R180 HydrophobicContact CG-CB 3.8Å; M146-Y181 HydrophobicContact CE-CD2 3.69Å; M146-Y181 HydrophobicContact CE-CG 4.21Å; M146-Y181 HydrophobicContact SD-CD2 3.94Å; M146-L184 HydrophobicContact SD-CD1 4.22Å
147	N	90.6	Very high	88.2	Confident	60 Å²	60	61.8 Å²	61.8	32%	0.321	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-35.8	174.3	-71.2	-21.6	0	0	0	112.3	I143 Q144 M145 F150 R151 R180	I143-N147 VanDerWaalsContact O-CG 3.31Å; I143-N147 PolarHBondContact O-N 2.87Å; I143-N147 PolarHBondContact O-ND2 2.96Å; Q144-N147 PolarHBondContact O-N 3.31Å; M145-N147 VanDerWaalsContact C-N 3.32Å; M145-N147 PolarHBondContact O-N 3.19Å; N147-F150 PolarHBondContact O-N 3.09Å; N147-R151 WeakPolarHBondContact O-CB 3.12Å; N147-R151 PolarHBondContact O-N 3.17Å; N147-R180 WeakPolarHBondContact OD1-CD 3.28Å
148	T	90.8	Very high	88.8	Confident	10 Å²	10	57.7 Å²	57.7	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-46.7	175.8	-60.3	0	0	0	0	111	C116 P118 Q144 M145 M146 F150 R151 C152	C116-T148 WeakPolarHBondContact O-CG2 2.89Å; P118-T148 HydrophobicContact CB-CG2 4.4Å; P118-T148 HydrophobicContact CG-CG2 4.47Å; Q144-T148 WeakPolarHBondContact O-CB 3.47Å; Q144-T148 PolarHBondContact O-N 2.83Å; Q144-T148 PolarHBondContact O-OG1 2.8Å; M145-T148 WeakPolarHBondContact O-CA 3.17Å; M145-T148 WeakPolarHBondContact O-CB 3.14Å; M145-T148 PolarHBondContact O-N 3.23Å; M146-T148 VanDerWaalsContact C-N 3.3Å; M146-T148 PolarHBondContact O-N 2.86Å; T148-F150 VanDerWaalsContact C-N 3.27Å; T148-F150 PolarHBondContact O-N 3.47Å; T148-R151 PolarHBondContact O-N 2.91Å; T148-C152 WeakPolarHBondContact O-CB 3.39Å; T148-C152 PolarHBondContact O-N 2.79Å; T148-C152 PolarHBondContact O-SG 3.07Å; T148-C152 VanDerWaalsContact O-SG 3.4Å
149	L	91.1	Very high	89.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57	-43.2	175.1	-69.8	168.7	0	0	0	111.4	P118 M145 M146 C152 G153 S154 I158 A159 L162 L184	P118-L149 HydrophobicContact CB-CD2 3.54Å; P118-L149 HydrophobicContact CB-CG 4.37Å; M145-L149 HydrophobicContact CG-CD1 4.23Å; M145-L149 HydrophobicContact CG-CG 4.45Å; M145-L149 WeakPolarHBondContact O-CG 3.04Å; M145-L149 PolarHBondContact O-N 2.93Å; M145-L149 HydrophobicContact SD-CG 4.46Å; M146-L149 PolarHBondContact O-N 3.48Å; L149-C152 PolarHBondContact O-N 2.73Å; L149-G153 PolarHBondContact O-N 3.44Å; L149-G153 VanDerWaalsContact O-N 3.13Å; L149-S154 PolarHBondContact O-N 3.42Å; L149-I158 HydrophobicContact CD1-CG2 4.4Å; L149-I158 HydrophobicContact CD2-CB 4.16Å; L149-I158 HydrophobicContact CD2-CG2 3.52Å; L149-A159 HydrophobicContact CD1-CB 4.02Å; L149-L162 HydrophobicContact CD1-CD2 4.02Å; L149-L184 HydrophobicContact CB-CD1 4.31Å
150	F	86.2	Confident	90.4	Very high	76 Å²	76	49 Å²	49	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-49.2	175.4	177	-98.8	0	0	0	112.4	M146 N147 T148 C152 G153 T183 L184 K187	M146-F150 WeakPolarHBondContact O-CB 3.33Å; M146-F150 PolarHBondContact O-N 3.24Å; N147-F150 PolarHBondContact O-N 3.09Å; T148-F150 VanDerWaalsContact C-N 3.27Å; T148-F150 PolarHBondContact O-N 3.47Å; F150-C152 VanDerWaalsContact C-N 3.3Å; F150-C152 PolarHBondContact O-N 2.87Å; F150-G153 PolarHBondContact O-N 3.45Å; F150-T183 HydrophobicContact CE2-CG2 4.02Å; F150-T183 HydrophobicContact CZ-CG2 4.3Å; F150-L184 HydrophobicContact CB-CD1 4.27Å; F150-L184 HydrophobicContact CD2-CB 4.03Å; F150-L184 HydrophobicContact CD2-CG 4.38Å; F150-K187 HydrophobicContact CE2-CB 4.24Å; F150-K187 HydrophobicContact CE2-CD 3.65Å; F150-K187 HydrophobicContact CE2-CG 4.07Å; F150-K187 HydrophobicContact CZ-CD 3.53Å; F150-K187 HydrophobicContact CZ-CG 4.41Å
151	R	86.6	Confident	90.8	Very high	158 Å²	158	42.9 Å²	42.9	60%	0.596	23%	0.226	S	C	*	.	H	α-helix	trans	-63.5	-35.5	179.9	-179.5	175.3	60.9	-161	-4.9	112.7	N147 T148 G153	N147-R151 WeakPolarHBondContact O-CB 3.12Å; N147-R151 PolarHBondContact O-N 3.17Å; T148-R151 PolarHBondContact O-N 2.91Å; R151-G153 VanDerWaalsContact C-N 3.33Å
152	C	87.1	Confident	91	Very high	61 Å²	61	42.5 Å²	42.5	41%	0.412	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.2	-178.9	-67.3	0	0	0	0	113.5	P118 T148 L149 F150 S154	P118-C152 HydrophobicContact CG-CB 3.68Å; T148-C152 WeakPolarHBondContact O-CB 3.39Å; T148-C152 PolarHBondContact O-N 2.79Å; T148-C152 PolarHBondContact O-SG 3.07Å; T148-C152 VanDerWaalsContact O-SG 3.4Å; L149-C152 PolarHBondContact O-N 2.73Å; F150-C152 VanDerWaalsContact C-N 3.3Å; F150-C152 PolarHBondContact O-N 2.87Å; C152-S154 PolarHBondContact O-N 2.96Å
153	G	84.2	Confident	91.1	Very high	66 Å²	66	42.8 Å²	42.8	68%	0.68	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	35	-177.8	0	0	0	0	0	112.9	L149 F150 R151	L149-G153 PolarHBondContact O-N 3.44Å; L149-G153 VanDerWaalsContact O-N 3.13Å; F150-G153 PolarHBondContact O-N 3.45Å; R151-G153 VanDerWaalsContact C-N 3.33Å
154	S	86.6	Confident	91.2	Very high	23 Å²	23	45.8 Å²	45.8	16%	0.161	25%	0.245	C	C	.	.			trans	-67.3	152.6	-174.9	-58.3	0	0	0	0	112.6	L149 C152 L156	L149-S154 PolarHBondContact O-N 3.42Å; C152-S154 PolarHBondContact O-N 2.96Å; S154-L156 PolarHBondContact O-N 3.34Å
155	E	88	Confident	91.4	Very high	136 Å²	136	42.1 Å²	42.1	64%	0.636	23%	0.228	S	C	*	.			trans	-52.2	136.4	176.5	-70	-68.2	145.5	0	0	112.5	N157 I158	E155-N157 PolarHBondContact O-N 3.46Å; E155-N157 VanDerWaalsContact O-N 3.09Å; E155-I158 HydrophobicContact CB-CD1 3.88Å; E155-I158 HydrophobicContact CB-CG1 4.2Å; E155-I158 WeakPolarHBondContact O-CB 3.38Å; E155-I158 PolarHBondContact O-N 3.43Å
156	L	91.5	Very high	91.4	Very high	17 Å²	17	42.2 Å²	42.2	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-54.3	-35.8	-177.8	-176.4	68.1	0	0	0	112.7	S154 I158 A159 K160 Y181 L184 H190 E193	S154-L156 PolarHBondContact O-N 3.34Å; L156-I158 PolarHBondContact O-N 3.46Å; L156-A159 PolarHBondContact O-N 2.94Å; L156-K160 HydrophobicContact CG-CD 4.47Å; L156-K160 HydrophobicContact CG-CG 4.46Å; L156-K160 WeakPolarHBondContact O-CG 3.36Å; L156-K160 PolarHBondContact O-N 3.05Å; L156-Y181 HydrophobicContact CD1-CE2 3.78Å; L156-Y181 VanDerWaalsContact CD1-OH 3.3Å; L156-Y181 WeakPolarHBondContact CD1-OH 3.36Å; L156-L184 HydrophobicContact CD1-CD2 3.66Å; L156-H190 HydrophobicContact CD2-CB 3.86Å; L156-E193 HydrophobicContact CD2-CB 4.37Å; L156-E193 HydrophobicContact CD2-CG 4.44Å
157	N	92.4	Very high	91.4	Very high	92 Å²	92	43.9 Å²	43.9	49%	0.492	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-28.1	-179	-68.4	-33.1	0	0	0	112.7	P122 E155 S161	P122-N157 HydrophobicContact CG-CB 3.68Å; E155-N157 PolarHBondContact O-N 3.46Å; E155-N157 VanDerWaalsContact O-N 3.09Å; N157-S161 PolarHBondContact O-N 2.94Å
158	I	93.9	Very high	91.5	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-68.9	-47.9	175.3	-56.8	161.7	0	0	0	108.9	P119 P122 W128 L149 E155 L156 K160 S161 L162	P119-I158 HydrophobicContact CB-CG2 4.27Å; P119-I158 HydrophobicContact CG-CG2 4.39Å; P119-I158 WeakPolarHBondContact O-CD1 3.45Å; P122-I158 HydrophobicContact CG-CG1 4.33Å; W128-I158 HydrophobicContact CH2-CG2 4.41Å; W128-I158 HydrophobicContact CZ2-CG2 4.23Å; L149-I158 HydrophobicContact CD1-CG2 4.4Å; L149-I158 HydrophobicContact CD2-CB 4.16Å; L149-I158 HydrophobicContact CD2-CG2 3.52Å; E155-I158 HydrophobicContact CB-CD1 3.88Å; E155-I158 HydrophobicContact CB-CG1 4.2Å; E155-I158 WeakPolarHBondContact O-CB 3.38Å; E155-I158 PolarHBondContact O-N 3.43Å; L156-I158 PolarHBondContact O-N 3.46Å; I158-K160 VanDerWaalsContact C-N 3.33Å; I158-K160 PolarHBondContact O-N 3.34Å; I158-S161 PolarHBondContact O-N 2.72Å; I158-S161 VanDerWaalsContact O-N 3.12Å; I158-S161 PolarHBondContact O-OG 3.12Å; I158-L162 PolarHBondContact O-N 2.86Å; I158-L162 VanDerWaalsContact O-N 3.11Å
159	A	94.1	Very high	91.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-38.6	176	0	0	0	0	0	112.5	M146 L149 L156 S161 L162 L163 Y181 L184	M146-A159 HydrophobicContact CE-CB 4.15Å; M146-A159 HydrophobicContact SD-CB 3.96Å; L149-A159 HydrophobicContact CD1-CB 4.02Å; L156-A159 PolarHBondContact O-N 2.94Å; A159-S161 PolarHBondContact O-N 2.89Å; A159-L162 WeakPolarHBondContact O-CB 3.17Å; A159-L162 PolarHBondContact O-N 2.87Å; A159-L163 PolarHBondContact O-N 3.11Å; A159-L163 VanDerWaalsContact O-N 3.11Å; A159-Y181 HydrophobicContact CB-CD2 3.92Å; A159-Y181 HydrophobicContact CB-CE2 3.64Å; A159-L184 HydrophobicContact CB-CD1 4.18Å
160	K	94.1	Very high	91.4	Very high	65 Å²	65	56 Å²	56	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-44.9	171.2	-74.1	-177.6	174.1	-168.4	0	112.3	L156 I158 L162 L163 T164 Y181 E193	L156-K160 HydrophobicContact CG-CD 4.47Å; L156-K160 HydrophobicContact CG-CG 4.46Å; L156-K160 WeakPolarHBondContact O-CG 3.36Å; L156-K160 PolarHBondContact O-N 3.05Å; I158-K160 VanDerWaalsContact C-N 3.33Å; I158-K160 PolarHBondContact O-N 3.34Å; K160-L162 VanDerWaalsContact C-N 3.26Å; K160-L162 PolarHBondContact O-N 3.48Å; K160-L163 WeakPolarHBondContact O-CB 3.47Å; K160-L163 PolarHBondContact O-N 3.44Å; K160-L163 VanDerWaalsContact O-N 3.15Å; K160-T164 PolarHBondContact O-N 3Å; K160-T164 PolarHBondContact O-OG1 3.5Å; K160-Y181 VanDerWaalsContact CE-OH 3.23Å; K160-Y181 WeakPolarHBondContact CE-OH 3.19Å; K160-Y181 HydrophobicContact CG-CE2 4.46Å; K160-Y181 WeakPolarHBondContact CG-OH 3.33Å; K160-E193 VanDerWaalsContact CE-OE1 3.27Å; K160-E193 WeakPolarHBondContact CE-OE1 3.29Å; K160-E193 WeakPolarHBondContact CE-OE2 3.47Å; K160-E193 VanDerWaalsContact NZ-CD 3.33Å; K160-E193 IonicContact NZ-OE1 3.51Å; K160-E193 IonicContact NZ-OE2 3.37Å; K160-E193 PolarHBondContact NZ-OE2 2.95Å
161	S	95.8	Very high	91.5	Very high	14 Å²	14	55.3 Å²	55.3	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-35.5	179.8	77.3	0	0	0	0	112.3	L123 W128 N157 I158 A159 T164 F165	L123-S161 PolarHBondContact N-OG 3.37Å; L123-S161 WeakPolarHBondContact O-CB 3.32Å; W128-S161 WeakPolarHBondContact CZ2-OG 3.22Å; W128-S161 VanDerWaalsContact NE1-C 3.3Å; W128-S161 PolarHBondContact NE1-O 3.2Å; W128-S161 PolarHBondContact NE1-OG 3.12Å; N157-S161 PolarHBondContact O-N 2.94Å; I158-S161 PolarHBondContact O-N 2.72Å; I158-S161 VanDerWaalsContact O-N 3.12Å; I158-S161 PolarHBondContact O-OG 3.12Å; A159-S161 PolarHBondContact O-N 2.89Å; S161-T164 PolarHBondContact O-N 3.43Å; S161-F165 PolarHBondContact O-N 3.15Å
162	L	95.1	Very high	91.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-44.8	172.9	178.7	63.3	0	0	0	111.5	W128 F141 M145 M146 L149 I158 A159 K160 T164 F165 V166	W128-L162 HydrophobicContact CD2-CD1 4.08Å; W128-L162 HydrophobicContact CE3-CD1 3.88Å; W128-L162 HydrophobicContact CH2-CB 4.05Å; W128-L162 HydrophobicContact CH2-CD1 4.14Å; W128-L162 HydrophobicContact CZ2-CB 3.7Å; W128-L162 HydrophobicContact CZ2-CD1 4.33Å; W128-L162 HydrophobicContact CZ3-CD1 3.91Å; F141-L162 HydrophobicContact CE1-CD1 4.34Å; M145-L162 HydrophobicContact CB-CD2 3.85Å; M145-L162 HydrophobicContact CG-CD1 4.36Å; M145-L162 HydrophobicContact CG-CD2 3.65Å; M146-L162 HydrophobicContact CB-CD2 4.35Å; M146-L162 HydrophobicContact CE-CD2 4.11Å; L149-L162 HydrophobicContact CD1-CD2 4.02Å; I158-L162 PolarHBondContact O-N 2.86Å; I158-L162 VanDerWaalsContact O-N 3.11Å; A159-L162 WeakPolarHBondContact O-CB 3.17Å; A159-L162 PolarHBondContact O-N 2.87Å; K160-L162 VanDerWaalsContact C-N 3.26Å; K160-L162 PolarHBondContact O-N 3.48Å; L162-T164 VanDerWaalsContact C-N 3.34Å; L162-T164 PolarHBondContact O-N 3.44Å; L162-F165 HydrophobicContact CD1-CD1 4.27Å; L162-F165 WeakPolarHBondContact O-CB 3.29Å; L162-F165 PolarHBondContact O-N 3.29Å; L162-V166 HydrophobicContact CD1-CG2 4.37Å; L162-V166 WeakPolarHBondContact O-CG2 3.48Å; L162-V166 PolarHBondContact O-N 2.86Å
163	L	94.9	Very high	92	Very high	17 Å²	17	51 Å²	51	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-44	174.9	-69.3	-177.8	0	0	0	111.9	M146 A159 K160 F165 V166 A167 L173 L177 Y181	M146-L163 HydrophobicContact CE-CD2 4.06Å; M146-L163 HydrophobicContact CE-CG 4.19Å; A159-L163 PolarHBondContact O-N 3.11Å; A159-L163 VanDerWaalsContact O-N 3.11Å; K160-L163 WeakPolarHBondContact O-CB 3.47Å; K160-L163 PolarHBondContact O-N 3.44Å; K160-L163 VanDerWaalsContact O-N 3.15Å; L163-F165 VanDerWaalsContact C-N 3.34Å; L163-F165 PolarHBondContact O-N 3.32Å; L163-V166 PolarHBondContact O-N 3.11Å; L163-A167 VanDerWaalsContact O-CB 3.31Å; L163-A167 WeakPolarHBondContact O-CB 3.09Å; L163-A167 PolarHBondContact O-N 3.26Å; L163-L173 HydrophobicContact CD2-CD1 4.36Å; L163-L173 HydrophobicContact CD2-CD2 4.14Å; L163-L177 HydrophobicContact CD2-CD1 4.25Å; L163-L177 HydrophobicContact CD2-CD2 3.78Å; L163-L177 HydrophobicContact CD2-CG 3.68Å; L163-Y181 HydrophobicContact CD1-CD1 3.36Å; L163-Y181 HydrophobicContact CD1-CD2 3.87Å; L163-Y181 HydrophobicContact CD1-CE1 3.51Å; L163-Y181 HydrophobicContact CD1-CE2 4.03Å; L163-Y181 HydrophobicContact CD1-CG 3.54Å; L163-Y181 HydrophobicContact CG-CD2 4.42Å; L163-Y181 HydrophobicContact CG-CG 4.34Å
164	T	94.2	Very high	92.5	Very high	74 Å²	74	50.2 Å²	50.2	45%	0.454	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-45.9	176.9	-60.3	0	0	0	0	111.3	K160 S161 L162 A167 M168	K160-T164 PolarHBondContact O-N 3Å; K160-T164 PolarHBondContact O-OG1 3.5Å; S161-T164 PolarHBondContact O-N 3.43Å; L162-T164 VanDerWaalsContact C-N 3.34Å; L162-T164 PolarHBondContact O-N 3.44Å; T164-A167 PolarHBondContact O-N 3.08Å; T164-M168 HydrophobicContact CG2-SD 4.04Å; T164-M168 WeakPolarHBondContact O-CB 3.3Å; T164-M168 VanDerWaalsContact O-CG 3.28Å; T164-M168 WeakPolarHBondContact O-CG 3.46Å; T164-M168 PolarHBondContact O-N 3.17Å
165	F	95.2	Very high	92.8	Very high	9 Å²	9	51.4 Å²	51.4	4%	0.039	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-50.6	175.3	163.1	-108.6	0	0	0	112	P125 W128 K129 S161 L162 L163 A167 M168 E169	P125-F165 HydrophobicContact CB-CD2 4.14Å; P125-F165 VanDerWaalsContact O-CD2 3.23Å; P125-F165 WeakPolarHBondContact O-CD2 3.49Å; P125-F165 WeakPolarHBondContact O-CE2 3.48Å; W128-F165 HydrophobicContact CB-CB 3.86Å; W128-F165 HydrophobicContact CB-CD1 3.69Å; W128-F165 HydrophobicContact CB-CD2 3.55Å; W128-F165 HydrophobicContact CB-CE1 4.09Å; W128-F165 HydrophobicContact CB-CE2 3.96Å; W128-F165 HydrophobicContact CB-CG 3.39Å; W128-F165 HydrophobicContact CB-CZ 4.21Å; W128-F165 HydrophobicContact CG-CB 3.83Å; W128-F165 HydrophobicContact CG-CD1 4.14Å; W128-F165 HydrophobicContact CG-CD2 4.43Å; W128-F165 AromaticContact CG-CG 3.87Å; W128-F165 HydrophobicContact CG-CG 3.87Å; K129-F165 HydrophobicContact CB-CE2 4.02Å; K129-F165 HydrophobicContact CB-CZ 4.49Å; S161-F165 PolarHBondContact O-N 3.15Å; L162-F165 HydrophobicContact CD1-CD1 4.27Å; L162-F165 WeakPolarHBondContact O-CB 3.29Å; L162-F165 PolarHBondContact O-N 3.29Å; L163-F165 VanDerWaalsContact C-N 3.34Å; L163-F165 PolarHBondContact O-N 3.32Å; F165-A167 PolarHBondContact O-N 3Å; F165-M168 PolarHBondContact O-N 3.37Å; F165-E169 WeakPolarHBondContact O-CB 3.45Å; F165-E169 PolarHBondContact O-N 3.06Å
166	V	93.9	Very high	93.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-41.9	-178.7	178.2	0	0	0	0	111.4	D142 L162 L163 M168 E169 K170 L173 L177	D142-V166 HydrophobicContact CB-CG2 3.58Å; L162-V166 HydrophobicContact CD1-CG2 4.37Å; L162-V166 WeakPolarHBondContact O-CG2 3.48Å; L162-V166 PolarHBondContact O-N 2.86Å; L163-V166 PolarHBondContact O-N 3.11Å; V166-M168 VanDerWaalsContact C-N 3.35Å; V166-M168 PolarHBondContact O-N 3.29Å; V166-E169 PolarHBondContact O-N 2.89Å; V166-K170 HydrophobicContact CG1-CD 3.8Å; V166-K170 HydrophobicContact CG1-CG 4.33Å; V166-K170 WeakPolarHBondContact O-CB 3.47Å; V166-K170 PolarHBondContact O-N 3.09Å; V166-L173 HydrophobicContact CB-CD2 4.05Å; V166-L173 HydrophobicContact CG1-CD2 3.99Å; V166-L177 HydrophobicContact CB-CD2 4.09Å; V166-L177 HydrophobicContact CG1-CD2 3.8Å; V166-L177 HydrophobicContact CG2-CD2 4.08Å
167	A	93	Very high	93.3	Very high	35 Å²	35	47.4 Å²	47.4	29%	0.289	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-38.3	177.5	0	0	0	0	0	112.2	L163 T164 F165 G171 L173	L163-A167 VanDerWaalsContact O-CB 3.31Å; L163-A167 WeakPolarHBondContact O-CB 3.09Å; L163-A167 PolarHBondContact O-N 3.26Å; T164-A167 PolarHBondContact O-N 3.08Å; F165-A167 PolarHBondContact O-N 3Å; A167-G171 CarbonylContact O-C 3.51Å; A167-G171 WeakPolarHBondContact O-CA 3.46Å; A167-G171 PolarHBondContact O-N 2.98Å; A167-L173 HydrophobicContact CB-CD2 3.96Å; A167-L173 HydrophobicContact CB-CG 4.17Å
168	M	93.1	Very high	93.4	Very high	132 Å²	132	43.1 Å²	43.1	65%	0.65	24%	0.241	S	C	*	.	H	α-helix	trans	-69.4	-37.8	176.5	-74	-179.8	69.3	0	0	112.5	P125 T164 F165 V166	P125-M168 HydrophobicContact CB-SD 4.19Å; P125-M168 HydrophobicContact CG-CE 4.15Å; P125-M168 HydrophobicContact CG-SD 3.48Å; P125-M168 WeakPolarHBondContact CG-SD 3.31Å; T164-M168 HydrophobicContact CG2-SD 4.04Å; T164-M168 WeakPolarHBondContact O-CB 3.3Å; T164-M168 VanDerWaalsContact O-CG 3.28Å; T164-M168 WeakPolarHBondContact O-CG 3.46Å; T164-M168 PolarHBondContact O-N 3.17Å; F165-M168 PolarHBondContact O-N 3.37Å; V166-M168 VanDerWaalsContact C-N 3.35Å; V166-M168 PolarHBondContact O-N 3.29Å
169	E	89.4	Confident	93.5	Very high	85 Å²	85	44.5 Å²	44.5	40%	0.397	25%	0.249	S	C	.	.	H	α-helix	trans	-76.5	-46.3	-178.8	-175.8	179.6	-134.9	0	0	112.5	R132 F165 V166	R132-E169 IonicContact CZ-OE1 3.2Å; R132-E169 IonicContact CZ-OE2 3.8Å; R132-E169 IonicContact NH1-OE1 2.83Å; R132-E169 PolarHBondContact NH1-OE1 3.08Å; R132-E169 IonicContact NH1-OE2 2.73Å; R132-E169 PolarHBondContact NH1-OE2 3.36Å; R132-E169 IonicContact NH2-OE1 2.7Å; R132-E169 PolarHBondContact NH2-OE1 3.42Å; F165-E169 WeakPolarHBondContact O-CB 3.45Å; F165-E169 PolarHBondContact O-N 3.06Å; V166-E169 PolarHBondContact O-N 2.89Å
170	K	89.3	Confident	93.5	Very high	109 Å²	109	48 Å²	48	47%	0.474	26%	0.262	S	S	.	.	H	α-helix	trans	-97.5	-8.4	-173.2	-57.8	-176.8	-172.7	171.2	0	113.2	D142 V166 T172	D142-K170 IonicContact OD1-NZ 3.57Å; D142-K170 IonicContact OD2-NZ 2.8Å; D142-K170 PolarHBondContact OD2-NZ 2.89Å; V166-K170 HydrophobicContact CG1-CD 3.8Å; V166-K170 HydrophobicContact CG1-CG 4.33Å; V166-K170 WeakPolarHBondContact O-CB 3.47Å; V166-K170 PolarHBondContact O-N 3.09Å; K170-T172 PolarHBondContact O-N 3.36Å
171	G	88.6	Confident	93.6	Very high	61 Å²	61	44.9 Å²	44.9	63%	0.629	25%	0.248	S	C	*	.	S	Bend	trans	69.3	-8.4	-173.3	0	0	0	0	0	114.8	A167	A167-G171 CarbonylContact O-C 3.51Å; A167-G171 WeakPolarHBondContact O-CA 3.46Å; A167-G171 PolarHBondContact O-N 2.98Å
172	T	90.4	Very high	93.6	Very high	92 Å²	92	44.2 Å²	44.2	56%	0.564	24%	0.243	S	C	*	.	S	Bend	trans	-148.7	163.1	-175.3	65.1	0	0	0	0	110.4	K170	K170-T172 PolarHBondContact O-N 3.36Å
173	L	93.9	Very high	93.5	Very high	35 Å²	35	45.8 Å²	45.8	18%	0.183	25%	0.253	C	S	.	.			trans	-111.4	134.6	172.8	-64.6	173.8	0	0	0	109.1	L163 V166 A167 L177 L178	L163-L173 HydrophobicContact CD2-CD1 4.36Å; L163-L173 HydrophobicContact CD2-CD2 4.14Å; V166-L173 HydrophobicContact CB-CD2 4.05Å; V166-L173 HydrophobicContact CG1-CD2 3.99Å; A167-L173 HydrophobicContact CB-CD2 3.96Å; A167-L173 HydrophobicContact CB-CG 4.17Å; L173-L177 HydrophobicContact CD2-CD2 4.06Å; L173-L178 HydrophobicContact CB-CD1 3.93Å; L173-L178 HydrophobicContact CB-CD2 4.27Å; L173-L178 HydrophobicContact CB-CG 3.95Å; L173-L178 HydrophobicContact CD1-CD2 3.8Å; L173-L178 HydrophobicContact CD1-CG 4.4Å
174	S	94.1	Very high	93.4	Very high	50 Å²	50	45.6 Å²	45.6	35%	0.35	25%	0.252	S	S	.	.			trans	-71.3	150.4	176.2	69.1	0	0	0	0	110.8	E176 L177 L178	S174-E176 PolarHBondContact O-N 3.2Å; S174-L177 PolarHBondContact O-N 3.01Å; S174-L177 VanDerWaalsContact OG-CB 3.31Å; S174-L177 WeakPolarHBondContact OG-CB 3.39Å; S174-L177 PolarHBondContact OG-N 3.46Å; S174-L178 PolarHBondContact O-N 2.98Å; S174-L178 VanDerWaalsContact O-N 3.14Å
175	Y	94.6	Very high	93.5	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.192	23%	0.23	C	C	.	.	H	α-helix	trans	-55.1	-43.6	176.4	-175.5	-86.8	0	0	0	111.6	L177 L178 L179 M201 F205 L208 D209 A212	Y175-L177 PolarHBondContact O-N 3.44Å; Y175-L178 PolarHBondContact O-N 3.48Å; Y175-L179 HydrophobicContact CE1-CB 4.47Å; Y175-L179 HydrophobicContact CE1-CD2 4.2Å; Y175-L179 WeakPolarHBondContact O-CB 3.42Å; Y175-L179 PolarHBondContact O-N 3.28Å; Y175-M201 HydrophobicContact CD2-CE 3.7Å; Y175-M201 HydrophobicContact CE1-CE 4.26Å; Y175-M201 HydrophobicContact CE2-CE 3.33Å; Y175-M201 HydrophobicContact CG-CE 4.31Å; Y175-F205 HydrophobicContact CD2-CB 4.25Å; Y175-F205 HydrophobicContact CD2-CD1 4.04Å; Y175-F205 AromaticContact CD2-CD2 3.7Å; Y175-F205 HydrophobicContact CD2-CD2 3.7Å; Y175-F205 HydrophobicContact CD2-CE1 4.35Å; Y175-F205 HydrophobicContact CD2-CE2 4.05Å; Y175-F205 AromaticContact CD2-CG 3.71Å; Y175-F205 HydrophobicContact CD2-CG 3.71Å; Y175-F205 HydrophobicContact CD2-CZ 4.36Å; Y175-F205 HydrophobicContact CE2-CD2 4.42Å; Y175-F205 HydrophobicContact CE2-CG 4.46Å; Y175-L208 HydrophobicContact CE2-CD2 4.16Å; Y175-D209 WeakPolarHBondContact CE1-OD2 3.47Å; Y175-D209 PolarHBondContact OH-N 3.16Å; Y175-D209 PolarHBondContact OH-OD1 2.82Å; Y175-D209 PolarHBondContact OH-OD2 2.96Å; Y175-A212 VanDerWaalsContact OH-CB 3.3Å; Y175-A212 WeakPolarHBondContact OH-CB 3.31Å
176	E	94.2	Very high	93.4	Very high	68 Å²	68	41.7 Å²	41.7	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-43.8	-179.5	-171.6	-173.5	-178.5	0	0	112.7	R140 I143 S174 L178 L179 R180	R140-E176 IonicContact CZ-OE1 3.92Å; R140-E176 IonicContact CZ-OE2 3.73Å; R140-E176 IonicContact NH2-OE1 2.71Å; R140-E176 PolarHBondContact NH2-OE1 2.93Å; R140-E176 IonicContact NH2-OE2 2.63Å; R140-E176 PolarHBondContact NH2-OE2 3.29Å; I143-E176 HydrophobicContact CD1-CB 4.18Å; I143-E176 HydrophobicContact CD1-CG 3.96Å; S174-E176 PolarHBondContact O-N 3.2Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.44Å; E176-L179 PolarHBondContact O-N 2.85Å; E176-R180 WeakPolarHBondContact O-CG 3.5Å; E176-R180 PolarHBondContact O-N 3.19Å
177	L	94.5	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-42.8	178.6	-179.7	60.5	0	0	0	110.9	D142 I143 M146 L163 V166 L173 S174 Y175 L179 R180 Y181	D142-L177 HydrophobicContact CB-CD1 4.33Å; D142-L177 HydrophobicContact CB-CD2 4.23Å; I143-L177 VanDerWaalsContact CD1-CA 3.5Å; I143-L177 HydrophobicContact CD1-CB 3.64Å; I143-L177 HydrophobicContact CD1-CD1 4.04Å; I143-L177 HydrophobicContact CD1-CG 4.43Å; M146-L177 HydrophobicContact CB-CD1 4.01Å; M146-L177 HydrophobicContact CE-CD1 4.04Å; M146-L177 HydrophobicContact CG-CD1 4.31Å; L163-L177 HydrophobicContact CD2-CD1 4.25Å; L163-L177 HydrophobicContact CD2-CD2 3.78Å; L163-L177 HydrophobicContact CD2-CG 3.68Å; V166-L177 HydrophobicContact CB-CD2 4.09Å; V166-L177 HydrophobicContact CG1-CD2 3.8Å; V166-L177 HydrophobicContact CG2-CD2 4.08Å; L173-L177 HydrophobicContact CD2-CD2 4.06Å; S174-L177 PolarHBondContact O-N 3.01Å; S174-L177 VanDerWaalsContact OG-CB 3.31Å; S174-L177 WeakPolarHBondContact OG-CB 3.39Å; S174-L177 PolarHBondContact OG-N 3.46Å; Y175-L177 PolarHBondContact O-N 3.44Å; L177-L179 VanDerWaalsContact C-N 3.35Å; L177-R180 PolarHBondContact O-N 3.24Å; L177-Y181 WeakPolarHBondContact O-CB 3.46Å; L177-Y181 PolarHBondContact O-N 3.46Å
178	L	95.7	Very high	93.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-38.7	175.5	-74.1	168.4	0	0	0	112.1	L173 S174 Y175 E176 Y181 L182 I200 M201 F205	L173-L178 HydrophobicContact CB-CD1 3.93Å; L173-L178 HydrophobicContact CB-CD2 4.27Å; L173-L178 HydrophobicContact CB-CG 3.95Å; L173-L178 HydrophobicContact CD1-CD2 3.8Å; L173-L178 HydrophobicContact CD1-CG 4.4Å; S174-L178 PolarHBondContact O-N 2.98Å; S174-L178 VanDerWaalsContact O-N 3.14Å; Y175-L178 PolarHBondContact O-N 3.48Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.44Å; L178-Y181 PolarHBondContact O-N 2.94Å; L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.39Å; L178-L182 PolarHBondContact O-N 3.27Å; L178-I200 HydrophobicContact CD1-CG2 4.02Å; L178-I200 HydrophobicContact CD2-CG2 4.44Å; L178-M201 HydrophobicContact CB-CE 4.3Å; L178-M201 HydrophobicContact CB-CG 4.11Å; L178-M201 HydrophobicContact CB-SD 4.01Å; L178-M201 HydrophobicContact CD1-CG 3.97Å; L178-F205 HydrophobicContact CD1-CE2 3.7Å; L178-F205 HydrophobicContact CD1-CZ 4.21Å
179	L	95.3	Very high	93	Very high	34 Å²	34	43.2 Å²	43.2	18%	0.178	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-41.9	176.4	-179.3	59.2	0	0	0	112.2	Y175 E176 L177 L182 T183 A212 L215	Y175-L179 HydrophobicContact CE1-CB 4.47Å; Y175-L179 HydrophobicContact CE1-CD2 4.2Å; Y175-L179 WeakPolarHBondContact O-CB 3.42Å; Y175-L179 PolarHBondContact O-N 3.28Å; E176-L179 PolarHBondContact O-N 2.85Å; L177-L179 VanDerWaalsContact C-N 3.35Å; L179-L182 HydrophobicContact CD1-CD2 4.4Å; L179-L182 PolarHBondContact O-N 3.24Å; L179-T183 PolarHBondContact O-N 2.93Å; L179-T183 PolarHBondContact O-OG1 3.32Å; L179-A212 HydrophobicContact CD1-CB 3.92Å; L179-L215 HydrophobicContact CD1-CD1 3.88Å
180	R	94.3	Very high	93.2	Very high	75 Å²	75	42.6 Å²	42.6	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-41.6	175.1	-64	-64.1	-178.6	-175.4	-3.3	111	E101 M146 N147 E176 L177 T183 L184	E101-R180 IonicContact OE2-CZ 3.06Å; E101-R180 IonicContact OE2-NH1 2.63Å; E101-R180 PolarHBondContact OE2-NH1 3.34Å; E101-R180 IonicContact OE2-NH2 2.69Å; E101-R180 PolarHBondContact OE2-NH2 3.42Å; E101-R180 VanDerWaalsContact OE2-NH2 3.11Å; M146-R180 HydrophobicContact CG-CB 3.8Å; N147-R180 WeakPolarHBondContact OD1-CD 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.5Å; E176-R180 PolarHBondContact O-N 3.19Å; L177-R180 PolarHBondContact O-N 3.24Å; R180-T183 WeakPolarHBondContact O-CB 3.46Å; R180-T183 PolarHBondContact O-N 2.89Å; R180-L184 PolarHBondContact O-N 3.37Å; R180-L184 VanDerWaalsContact O-N 3.09Å
181	Y	95.3	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-43.6	174.3	-175.5	-115.4	0	0	0	113	M146 L156 A159 K160 L163 L177 L178 T183 L184 C185 E193 I197	M146-Y181 HydrophobicContact CE-CD2 3.69Å; M146-Y181 HydrophobicContact CE-CG 4.21Å; M146-Y181 HydrophobicContact SD-CD2 3.94Å; L156-Y181 HydrophobicContact CD1-CE2 3.78Å; L156-Y181 VanDerWaalsContact CD1-OH 3.3Å; L156-Y181 WeakPolarHBondContact CD1-OH 3.36Å; A159-Y181 HydrophobicContact CB-CD2 3.92Å; A159-Y181 HydrophobicContact CB-CE2 3.64Å; K160-Y181 VanDerWaalsContact CE-OH 3.23Å; K160-Y181 WeakPolarHBondContact CE-OH 3.19Å; K160-Y181 HydrophobicContact CG-CE2 4.46Å; K160-Y181 WeakPolarHBondContact CG-OH 3.33Å; L163-Y181 HydrophobicContact CD1-CD1 3.36Å; L163-Y181 HydrophobicContact CD1-CD2 3.87Å; L163-Y181 HydrophobicContact CD1-CE1 3.51Å; L163-Y181 HydrophobicContact CD1-CE2 4.03Å; L163-Y181 HydrophobicContact CD1-CG 3.54Å; L163-Y181 HydrophobicContact CG-CD2 4.42Å; L163-Y181 HydrophobicContact CG-CG 4.34Å; L177-Y181 WeakPolarHBondContact O-CB 3.46Å; L177-Y181 PolarHBondContact O-N 3.46Å; L178-Y181 PolarHBondContact O-N 2.94Å; Y181-T183 VanDerWaalsContact C-N 3.28Å; Y181-T183 PolarHBondContact O-N 3.49Å; Y181-L184 WeakPolarHBondContact O-CB 3.34Å; Y181-L184 PolarHBondContact O-N 3.18Å; Y181-L184 VanDerWaalsContact O-N 3.15Å; Y181-C185 VanDerWaalsContact CE1-SG 3.57Å; Y181-C185 VanDerWaalsContact CZ-SG 3.56Å; Y181-C185 PolarHBondContact O-N 3.24Å; Y181-C185 PolarHBondContact O-SG 2.82Å; Y181-E193 HydrophobicContact CE1-CG 3.89Å; Y181-E193 WeakPolarHBondContact OH-CG 3.3Å; Y181-E193 PolarHBondContact OH-OE1 3.29Å; Y181-I197 HydrophobicContact CD1-CD1 3.34Å; Y181-I197 HydrophobicContact CD1-CG1 3.91Å; Y181-I197 HydrophobicContact CE1-CD1 3.47Å; Y181-I197 VanDerWaalsContact CE1-CD1 3.47Å; Y181-I197 HydrophobicContact CE1-CG1 3.94Å; Y181-I197 HydrophobicContact CG-CD1 4.47Å
182	L	95.7	Very high	93.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.8	-44.6	173.8	175.7	61	0	0	0	111	L178 L179 L184 C185 V186 V194 I197 M201 A212 L215 F216	L178-L182 VanDerWaalsContact O-CB 3.23Å; L178-L182 WeakPolarHBondContact O-CB 3.39Å; L178-L182 PolarHBondContact O-N 3.27Å; L179-L182 HydrophobicContact CD1-CD2 4.4Å; L179-L182 PolarHBondContact O-N 3.24Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 3.33Å; L182-C185 PolarHBondContact O-N 3.36Å; L182-V186 HydrophobicContact CD1-CG2 3.83Å; L182-V186 HydrophobicContact CG-CG2 4.28Å; L182-V186 WeakPolarHBondContact O-CB 3.47Å; L182-V186 WeakPolarHBondContact O-CG2 3.42Å; L182-V186 PolarHBondContact O-N 3.3Å; L182-V194 HydrophobicContact CD1-CB 4.29Å; L182-V194 HydrophobicContact CD1-CG1 3.6Å; L182-V194 HydrophobicContact CD1-CG2 4.02Å; L182-I197 HydrophobicContact CB-CD1 4.44Å; L182-I197 HydrophobicContact CB-CG2 4.26Å; L182-I197 HydrophobicContact CD1-CD1 4.32Å; L182-I197 HydrophobicContact CD1-CG2 4.34Å; L182-M201 HydrophobicContact CD2-SD 4.42Å; L182-A212 HydrophobicContact CD2-CB 4.34Å; L182-L215 HydrophobicContact CD2-CB 3.83Å; L182-L215 HydrophobicContact CD2-CD1 3.99Å; L182-L215 HydrophobicContact CG-CB 3.99Å; L182-L215 HydrophobicContact CG-CD1 3.98Å; L182-F216 HydrophobicContact CD1-CD1 4.02Å; L182-F216 HydrophobicContact CD1-CE1 3.6Å; L182-F216 HydrophobicContact CD1-CZ 4.18Å; L182-F216 HydrophobicContact CD2-CD1 4.27Å; L182-F216 HydrophobicContact CD2-CD2 4.3Å; L182-F216 HydrophobicContact CD2-CE1 3.78Å; L182-F216 HydrophobicContact CD2-CE2 3.82Å; L182-F216 HydrophobicContact CD2-CG 4.5Å; L182-F216 HydrophobicContact CD2-CZ 3.54Å; L182-F216 HydrophobicContact CG-CE1 4.35Å; L182-F216 HydrophobicContact CG-CZ 4.49Å
183	T	94	Very high	93.7	Very high	32 Å²	32	40.2 Å²	40.2	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-44.7	176.9	-57	0	0	0	0	111.2	F150 L179 R180 Y181 K187 L215	F150-T183 HydrophobicContact CE2-CG2 4.02Å; F150-T183 HydrophobicContact CZ-CG2 4.3Å; L179-T183 PolarHBondContact O-N 2.93Å; L179-T183 PolarHBondContact O-OG1 3.32Å; R180-T183 WeakPolarHBondContact O-CB 3.46Å; R180-T183 PolarHBondContact O-N 2.89Å; Y181-T183 VanDerWaalsContact C-N 3.28Å; Y181-T183 PolarHBondContact O-N 3.49Å; T183-K187 WeakPolarHBondContact O-CB 3.46Å; T183-K187 WeakPolarHBondContact O-CG 3.31Å; T183-K187 PolarHBondContact O-N 3.34Å; T183-L215 WeakPolarHBondContact OG1-CD1 3.33Å
184	L	93.8	Very high	93.8	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-48.2	174.5	-174.1	156.3	0	0	0	111.2	M146 L149 F150 L156 A159 R180 Y181 L182 V186 K187 G188	M146-L184 HydrophobicContact SD-CD1 4.22Å; L149-L184 HydrophobicContact CB-CD1 4.31Å; F150-L184 HydrophobicContact CB-CD1 4.27Å; F150-L184 HydrophobicContact CD2-CB 4.03Å; F150-L184 HydrophobicContact CD2-CG 4.38Å; L156-L184 HydrophobicContact CD1-CD2 3.66Å; A159-L184 HydrophobicContact CB-CD1 4.18Å; R180-L184 PolarHBondContact O-N 3.37Å; R180-L184 VanDerWaalsContact O-N 3.09Å; Y181-L184 WeakPolarHBondContact O-CB 3.34Å; Y181-L184 PolarHBondContact O-N 3.18Å; Y181-L184 VanDerWaalsContact O-N 3.15Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 3.33Å; L184-V186 PolarHBondContact O-N 3.28Å; L184-K187 PolarHBondContact O-N 2.96Å; L184-G188 PolarHBondContact O-N 2.98Å
185	C	94.4	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-47	179.8	-63.7	0	0	0	0	112.3	Y181 L182 G188 G189 H190 V194 I197	Y181-C185 VanDerWaalsContact CE1-SG 3.57Å; Y181-C185 VanDerWaalsContact CZ-SG 3.56Å; Y181-C185 PolarHBondContact O-N 3.24Å; Y181-C185 PolarHBondContact O-SG 2.82Å; L182-C185 PolarHBondContact O-N 3.36Å; C185-G188 CarbonylContact O-C 3.58Å; C185-G188 PolarHBondContact O-N 3.37Å; C185-G189 PolarHBondContact O-N 2.83Å; C185-H190 HydrophobicContact CB-CB 4.29Å; C185-H190 PolarHBondContact O-N 3.11Å; C185-V194 HydrophobicContact CB-CG2 3.68Å; C185-I197 HydrophobicContact CB-CD1 4.29Å
186	V	94.4	Very high	93.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-36.7	-177.1	175.6	0	0	0	0	111.9	L182 L184 V194 L215 K218 R222	L182-V186 HydrophobicContact CD1-CG2 3.83Å; L182-V186 HydrophobicContact CG-CG2 4.28Å; L182-V186 WeakPolarHBondContact O-CB 3.47Å; L182-V186 WeakPolarHBondContact O-CG2 3.42Å; L182-V186 PolarHBondContact O-N 3.3Å; L184-V186 PolarHBondContact O-N 3.28Å; V186-V194 HydrophobicContact CG2-CG2 3.81Å; V186-L215 HydrophobicContact CB-CD2 4.09Å; V186-L215 HydrophobicContact CG1-CD2 3.93Å; V186-L215 HydrophobicContact CG2-CB 4.15Å; V186-L215 HydrophobicContact CG2-CD2 4.28Å; V186-K218 HydrophobicContact CG1-CB 4.4Å; V186-K218 HydrophobicContact CG1-CD 3.88Å; V186-K218 HydrophobicContact CG1-CG 4.12Å; V186-R222 PolarHBondContact O-NH1 2.96Å
187	K	90	Very high	93.7	Very high	113 Å²	113	36.6 Å²	36.6	49%	0.491	20%	0.2	S	C	.	.	H	α-helix	trans	-71.5	-36.8	174.1	-70.1	-149.4	-168.9	-175.3	0	111.7	E102 F150 T183 L184 G189	E102-K187 IonicContact OE1-NZ 2.78Å; E102-K187 PolarHBondContact OE1-NZ 2.84Å; F150-K187 HydrophobicContact CE2-CB 4.24Å; F150-K187 HydrophobicContact CE2-CD 3.65Å; F150-K187 HydrophobicContact CE2-CG 4.07Å; F150-K187 HydrophobicContact CZ-CD 3.53Å; F150-K187 HydrophobicContact CZ-CG 4.41Å; T183-K187 WeakPolarHBondContact O-CB 3.46Å; T183-K187 WeakPolarHBondContact O-CG 3.31Å; T183-K187 PolarHBondContact O-N 3.34Å; L184-K187 PolarHBondContact O-N 2.96Å; K187-G189 VanDerWaalsContact C-N 3.29Å; K187-G189 PolarHBondContact O-N 3.45Å
188	G	90.3	Very high	93.8	Very high	46 Å²	46	38 Å²	38	47%	0.474	21%	0.205	S	C	.	.	H	α-helix	trans	-76.4	-7.2	175.7	0	0	0	0	0	115.2	L184 C185 H190	L184-G188 PolarHBondContact O-N 2.98Å; C185-G188 CarbonylContact O-C 3.58Å; C185-G188 PolarHBondContact O-N 3.37Å; G188-H190 VanDerWaalsContact C-N 3.32Å
189	G	91.7	Very high	93.7	Very high	42 Å²	42	42.6 Å²	42.6	43%	0.433	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	22.6	-178.2	0	0	0	0	0	113.9	C185 K187 D191	C185-G189 PolarHBondContact O-N 2.83Å; K187-G189 VanDerWaalsContact C-N 3.29Å; K187-G189 PolarHBondContact O-N 3.45Å; G189-D191 PolarHBondContact O-N 3.34Å
190	H	93.8	Very high	93.6	Very high	72 Å²	72	44.6 Å²	44.6	33%	0.333	24%	0.235	S	C	.	.			trans	-85.3	58.1	179.4	-57	-59.4	0	0	0	111.2	L156 C185 G188 D192 E193 V194	L156-H190 HydrophobicContact CD2-CB 3.86Å; C185-H190 HydrophobicContact CB-CB 4.29Å; C185-H190 PolarHBondContact O-N 3.11Å; G188-H190 VanDerWaalsContact C-N 3.32Å; H190-D192 PolarHBondContact O-N 2.81Å; H190-E193 HydrophobicContact CB-CB 4.33Å; H190-E193 WeakPolarHBondContact O-CB 3.26Å; H190-E193 PolarHBondContact O-N 3.48Å; H190-E193 VanDerWaalsContact O-N 3.1Å; H190-V194 PolarHBondContact O-N 2.98Å
191	D	93.1	Very high	93.7	Very high	28 Å²	28	41 Å²	41	15%	0.15	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-27.6	-170.7	-64.4	-49.7	0	0	0	113.4	G189 E193 V194 S219 R222 T223	G189-D191 PolarHBondContact O-N 3.34Å; D191-E193 PolarHBondContact O-N 2.97Å; D191-V194 WeakPolarHBondContact O-CB 3.47Å; D191-V194 PolarHBondContact O-N 3.42Å; D191-S219 WeakPolarHBondContact CB-OG 3.3Å; D191-S219 WeakPolarHBondContact OD1-CA 3.45Å; D191-S219 VanDerWaalsContact OD1-CB 3.26Å; D191-S219 WeakPolarHBondContact OD1-CB 3.35Å; D191-S219 PolarHBondContact OD1-OG 2.77Å; D191-R222 IonicContact OD1-NH1 2.69Å; D191-T223 HydrophobicContact CB-CG2 3.71Å
192	D	90.3	Very high	93.6	Very high	146 Å²	146	45.6 Å²	45.6	78%	0.781	24%	0.239	S	C	*	.	H	α-helix	trans	-62.8	-41.3	174.1	-69	-29.9	0	0	0	112.1	H190 V194 F195	H190-D192 PolarHBondContact O-N 2.81Å; D192-V194 VanDerWaalsContact C-N 3.33Å; D192-V194 PolarHBondContact O-N 3.41Å; D192-F195 PolarHBondContact O-N 2.97Å
193	E	93.8	Very high	93.5	Very high	37 Å²	37	48.9 Å²	48.9	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-36.4	178.5	-174.4	64	-170.9	0	0	111.5	L156 K160 Y181 H190 D191 F195 D196 I197	L156-E193 HydrophobicContact CD2-CB 4.37Å; L156-E193 HydrophobicContact CD2-CG 4.44Å; K160-E193 VanDerWaalsContact CE-OE1 3.27Å; K160-E193 WeakPolarHBondContact CE-OE1 3.29Å; K160-E193 WeakPolarHBondContact CE-OE2 3.47Å; K160-E193 VanDerWaalsContact NZ-CD 3.33Å; K160-E193 IonicContact NZ-OE1 3.51Å; K160-E193 IonicContact NZ-OE2 3.37Å; K160-E193 PolarHBondContact NZ-OE2 2.95Å; Y181-E193 HydrophobicContact CE1-CG 3.89Å; Y181-E193 WeakPolarHBondContact OH-CG 3.3Å; Y181-E193 PolarHBondContact OH-OE1 3.29Å; H190-E193 HydrophobicContact CB-CB 4.33Å; H190-E193 WeakPolarHBondContact O-CB 3.26Å; H190-E193 PolarHBondContact O-N 3.48Å; H190-E193 VanDerWaalsContact O-N 3.1Å; D191-E193 PolarHBondContact O-N 2.97Å; E193-F195 PolarHBondContact O-N 3.3Å; E193-F195 VanDerWaalsContact O-N 3.16Å; E193-D196 PolarHBondContact O-N 2.72Å; E193-I197 HydrophobicContact CG-CD1 4.16Å; E193-I197 HydrophobicContact CG-CG1 4.45Å; E193-I197 WeakPolarHBondContact O-CG1 3.47Å; E193-I197 PolarHBondContact O-N 3.1Å; E193-I197 VanDerWaalsContact O-N 3.12Å
194	V	96.1	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-31.3	-179.6	174.7	0	0	0	0	111.5	L182 C185 V186 H190 D191 D192 I197 Y198 F216 S219 F220	L182-V194 HydrophobicContact CD1-CB 4.29Å; L182-V194 HydrophobicContact CD1-CG1 3.6Å; L182-V194 HydrophobicContact CD1-CG2 4.02Å; C185-V194 HydrophobicContact CB-CG2 3.68Å; V186-V194 HydrophobicContact CG2-CG2 3.81Å; H190-V194 PolarHBondContact O-N 2.98Å; D191-V194 WeakPolarHBondContact O-CB 3.47Å; D191-V194 PolarHBondContact O-N 3.42Å; D192-V194 VanDerWaalsContact C-N 3.33Å; D192-V194 PolarHBondContact O-N 3.41Å; V194-I197 PolarHBondContact O-N 2.66Å; V194-Y198 WeakPolarHBondContact O-CB 3.43Å; V194-Y198 PolarHBondContact O-N 3.17Å; V194-F216 HydrophobicContact CG1-CD1 3.6Å; V194-F216 HydrophobicContact CG1-CE1 3.89Å; V194-S219 WeakPolarHBondContact CB-OG 3.27Å; V194-S219 WeakPolarHBondContact CG1-OG 3.39Å; V194-F220 HydrophobicContact CG1-CE1 4.24Å
195	F	93	Very high	93.4	Very high	63 Å²	63	52.2 Å²	52.2	28%	0.276	29%	0.293	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175.9	178.3	-146.5	0	0	0	113	D192 E193 I197 Y198 K199 F220 R225	D192-F195 PolarHBondContact O-N 2.97Å; E193-F195 PolarHBondContact O-N 3.3Å; E193-F195 VanDerWaalsContact O-N 3.16Å; F195-I197 VanDerWaalsContact C-N 3.31Å; F195-Y198 WeakPolarHBondContact O-CB 3.3Å; F195-Y198 PolarHBondContact O-N 3.28Å; F195-K199 HydrophobicContact CD2-CG 4.19Å; F195-K199 HydrophobicContact CE2-CD 4.19Å; F195-K199 HydrophobicContact CE2-CG 3.88Å; F195-K199 HydrophobicContact CZ-CD 4.26Å; F195-K199 HydrophobicContact CZ-CG 4.43Å; F195-K199 PolarHBondContact O-N 2.86Å; F195-F220 HydrophobicContact CD2-CZ 4.44Å; F195-R225 VanDerWaalsContact CD2-CZ 3.44Å
196	D	92.9	Very high	93.1	Very high	60 Å²	60	58.9 Å²	58.9	32%	0.321	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-37.1	179.4	-71.5	-28.2	0	0	0	110.8	E193 Y198 K199 I200	E193-D196 PolarHBondContact O-N 2.72Å; D196-Y198 VanDerWaalsContact C-N 3.33Å; D196-Y198 PolarHBondContact O-N 3.06Å; D196-K199 PolarHBondContact O-N 2.93Å; D196-K199 IonicContact OD1-NZ 2.7Å; D196-K199 PolarHBondContact OD1-NZ 2.97Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.27Å; D196-I200 PolarHBondContact O-N 3.15Å
197	I	95.2	Very high	92.8	Very high	3 Å²	3	63 Å²	63	2%	0.015	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-44	170.2	-57.9	168.1	0	0	0	111	Y181 L182 C185 E193 V194 F195 K199 I200 M201 F216	Y181-I197 HydrophobicContact CD1-CD1 3.34Å; Y181-I197 HydrophobicContact CD1-CG1 3.91Å; Y181-I197 HydrophobicContact CE1-CD1 3.47Å; Y181-I197 VanDerWaalsContact CE1-CD1 3.47Å; Y181-I197 HydrophobicContact CE1-CG1 3.94Å; Y181-I197 HydrophobicContact CG-CD1 4.47Å; L182-I197 HydrophobicContact CB-CD1 4.44Å; L182-I197 HydrophobicContact CB-CG2 4.26Å; L182-I197 HydrophobicContact CD1-CD1 4.32Å; L182-I197 HydrophobicContact CD1-CG2 4.34Å; C185-I197 HydrophobicContact CB-CD1 4.29Å; E193-I197 HydrophobicContact CG-CD1 4.16Å; E193-I197 HydrophobicContact CG-CG1 4.45Å; E193-I197 WeakPolarHBondContact O-CG1 3.47Å; E193-I197 PolarHBondContact O-N 3.1Å; E193-I197 VanDerWaalsContact O-N 3.12Å; V194-I197 PolarHBondContact O-N 2.66Å; F195-I197 VanDerWaalsContact C-N 3.31Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.03Å; I197-I200 PolarHBondContact O-N 3.34Å; I197-M201 HydrophobicContact CG2-CG 4.03Å; I197-M201 HydrophobicContact CG2-SD 3.72Å; I197-M201 WeakPolarHBondContact O-CB 3.2Å; I197-M201 WeakPolarHBondContact O-CG 3.19Å; I197-M201 PolarHBondContact O-N 3.1Å; I197-F216 HydrophobicContact CG2-CE1 4.42Å; I197-F216 HydrophobicContact CG2-CZ 4.3Å
198	Y	96	Very high	92.8	Very high	29 Å²	29	58.8 Å²	58.8	11%	0.114	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-45.8	178.5	-179.6	-106.4	0	0	0	111.7	V194 F195 D196 M201 R202 L208 F216 F220 I232	V194-Y198 WeakPolarHBondContact O-CB 3.43Å; V194-Y198 PolarHBondContact O-N 3.17Å; F195-Y198 WeakPolarHBondContact O-CB 3.3Å; F195-Y198 PolarHBondContact O-N 3.28Å; D196-Y198 VanDerWaalsContact C-N 3.33Å; D196-Y198 PolarHBondContact O-N 3.06Å; Y198-M201 PolarHBondContact O-N 3.42Å; Y198-R202 HydrophobicContact CD1-CG 4.49Å; Y198-R202 HydrophobicContact CD2-CG 4.13Å; Y198-R202 HydrophobicContact CE1-CG 4.16Å; Y198-R202 HydrophobicContact CE2-CG 3.78Å; Y198-R202 HydrophobicContact CG-CG 4.48Å; Y198-R202 VanDerWaalsContact O-CB 3.31Å; Y198-R202 WeakPolarHBondContact O-CB 3.02Å; Y198-R202 VanDerWaalsContact O-CG 3.31Å; Y198-R202 WeakPolarHBondContact O-CG 3.49Å; Y198-R202 PolarHBondContact O-N 2.81Å; Y198-R202 PolarHBondContact OH-NE 3.38Å; Y198-R202 PolarHBondContact OH-NH2 2.77Å; Y198-L208 HydrophobicContact CD2-CD1 4.43Å; Y198-L208 HydrophobicContact CE2-CD1 4.1Å; Y198-F216 VanDerWaalsContact CA-CE1 3.49Å; Y198-F216 VanDerWaalsContact CB-CE1 3.48Å; Y198-F216 HydrophobicContact CD2-CB 4.32Å; Y198-F216 AromaticContact CD2-CD1 3.69Å; Y198-F216 HydrophobicContact CD2-CD1 3.69Å; Y198-F216 AromaticContact CD2-CD2 3.71Å; Y198-F216 HydrophobicContact CD2-CD2 3.71Å; Y198-F216 AromaticContact CD2-CE1 3.83Å; Y198-F216 HydrophobicContact CD2-CE1 3.83Å; Y198-F216 AromaticContact CD2-CE2 3.83Å; Y198-F216 HydrophobicContact CD2-CE2 3.83Å; Y198-F216 AromaticContact CD2-CG 3.64Å; Y198-F216 HydrophobicContact CD2-CG 3.64Å; Y198-F216 AromaticContact CD2-CZ 3.89Å; Y198-F216 HydrophobicContact CD2-CZ 3.89Å; Y198-F216 HydrophobicContact CE2-CD2 4.22Å; Y198-F216 HydrophobicContact CE2-CG 4.31Å; Y198-F216 HydrophobicContact CG-CD1 4.19Å; Y198-F216 HydrophobicContact CG-CE1 4.15Å; Y198-F216 HydrophobicContact CG-CZ 4.47Å; Y198-F220 HydrophobicContact CD1-CE2 4.04Å; Y198-F220 AromaticContact CD1-CZ 3.81Å; Y198-F220 HydrophobicContact CD1-CZ 3.81Å; Y198-F220 HydrophobicContact CD2-CE2 4.26Å; Y198-F220 HydrophobicContact CD2-CZ 4.18Å; Y198-F220 HydrophobicContact CE1-CE2 4.21Å; Y198-F220 HydrophobicContact CE1-CZ 4.44Å; Y198-F220 HydrophobicContact CE2-CE2 4.43Å; Y198-F220 HydrophobicContact CG-CE2 4.06Å; Y198-F220 AromaticContact CG-CZ 3.66Å; Y198-F220 HydrophobicContact CG-CZ 3.66Å; Y198-I232 HydrophobicContact CE2-CD1 3.78Å; Y198-I232 HydrophobicContact CE2-CG1 4.31Å
199	K	94.3	Very high	92.7	Very high	100 Å²	100	59.5 Å²	59.5	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-46.4	175.6	-66.6	176	-160.1	145.5	0	111.8	F195 D196 I197 G203	F195-K199 HydrophobicContact CD2-CG 4.19Å; F195-K199 HydrophobicContact CE2-CD 4.19Å; F195-K199 HydrophobicContact CE2-CG 3.88Å; F195-K199 HydrophobicContact CZ-CD 4.26Å; F195-K199 HydrophobicContact CZ-CG 4.43Å; F195-K199 PolarHBondContact O-N 2.86Å; D196-K199 PolarHBondContact O-N 2.93Å; D196-K199 IonicContact OD1-NZ 2.7Å; D196-K199 PolarHBondContact OD1-NZ 2.97Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.03Å; K199-G203 PolarHBondContact O-N 2.97Å
200	I	93.8	Very high	92.6	Very high	76 Å²	76	59.9 Å²	59.9	39%	0.39	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-52	179.4	-69	164.4	0	0	0	109.3	L178 D196 I197 R202 G203 S204	L178-I200 HydrophobicContact CD1-CG2 4.02Å; L178-I200 HydrophobicContact CD2-CG2 4.44Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.27Å; D196-I200 PolarHBondContact O-N 3.15Å; I197-I200 PolarHBondContact O-N 3.34Å; I200-R202 PolarHBondContact O-N 3.27Å; I200-G203 PolarHBondContact O-N 2.86Å; I200-S204 VanDerWaalsContact O-CB 3.28Å; I200-S204 WeakPolarHBondContact O-CB 3.43Å; I200-S204 PolarHBondContact O-N 3.02Å; I200-S204 PolarHBondContact O-OG 3.1Å; I200-S204 VanDerWaalsContact O-OG 3.1Å
201	M	96.1	Very high	92.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-40.2	-176.6	-67.9	-175.5	78.8	0	0	112.3	Y175 L178 L182 I197 Y198 G203 F205 L208 A212 F216	Y175-M201 HydrophobicContact CD2-CE 3.7Å; Y175-M201 HydrophobicContact CE1-CE 4.26Å; Y175-M201 HydrophobicContact CE2-CE 3.33Å; Y175-M201 HydrophobicContact CG-CE 4.31Å; L178-M201 HydrophobicContact CB-CE 4.3Å; L178-M201 HydrophobicContact CB-CG 4.11Å; L178-M201 HydrophobicContact CB-SD 4.01Å; L178-M201 HydrophobicContact CD1-CG 3.97Å; L182-M201 HydrophobicContact CD2-SD 4.42Å; I197-M201 HydrophobicContact CG2-CG 4.03Å; I197-M201 HydrophobicContact CG2-SD 3.72Å; I197-M201 WeakPolarHBondContact O-CB 3.2Å; I197-M201 WeakPolarHBondContact O-CG 3.19Å; I197-M201 PolarHBondContact O-N 3.1Å; Y198-M201 PolarHBondContact O-N 3.42Å; M201-G203 VanDerWaalsContact C-N 3.34Å; M201-F205 HydrophobicContact CB-CD2 4.25Å; M201-F205 HydrophobicContact CG-CE2 4.5Å; M201-F205 WeakPolarHBondContact O-CB 3.27Å; M201-F205 WeakPolarHBondContact O-CD2 3.31Å; M201-F205 PolarHBondContact O-N 3.38Å; M201-L208 HydrophobicContact CB-CD2 3.81Å; M201-L208 HydrophobicContact CE-CD2 4.18Å; M201-A212 HydrophobicContact CE-CB 4.34Å; M201-F216 HydrophobicContact SD-CE2 4.21Å; M201-F216 HydrophobicContact SD-CZ 3.79Å
202	R	93.2	Very high	92.5	Very high	96 Å²	96	55.3 Å²	55.3	36%	0.362	31%	0.313	S	S	.	.	H	α-helix	trans	-70.2	-28.6	176.4	-72.2	-75.5	-100.8	-160.3	-10.1	113.5	Y198 I200 L208 E235	Y198-R202 HydrophobicContact CD1-CG 4.49Å; Y198-R202 HydrophobicContact CD2-CG 4.13Å; Y198-R202 HydrophobicContact CE1-CG 4.16Å; Y198-R202 HydrophobicContact CE2-CG 3.78Å; Y198-R202 HydrophobicContact CG-CG 4.48Å; Y198-R202 VanDerWaalsContact O-CB 3.31Å; Y198-R202 WeakPolarHBondContact O-CB 3.02Å; Y198-R202 VanDerWaalsContact O-CG 3.31Å; Y198-R202 WeakPolarHBondContact O-CG 3.49Å; Y198-R202 PolarHBondContact O-N 2.81Å; Y198-R202 PolarHBondContact OH-NE 3.38Å; Y198-R202 PolarHBondContact OH-NH2 2.77Å; I200-R202 PolarHBondContact O-N 3.27Å; R202-L208 HydrophobicContact CG-CD1 4.19Å; R202-E235 IonicContact CZ-OE1 3Å; R202-E235 IonicContact CZ-OE2 3.11Å; R202-E235 VanDerWaalsContact CZ-OE2 3.31Å; R202-E235 IonicContact NH1-OE1 3.4Å; R202-E235 IonicContact NH1-OE2 3.77Å; R202-E235 PolarHBondContact NH1-OE2 3.17Å; R202-E235 VanDerWaalsContact NH2-CD 3.26Å; R202-E235 IonicContact NH2-OE1 3.93Å; R202-E235 PolarHBondContact NH2-OE1 3.27Å; R202-E235 IonicContact NH2-OE2 2.75Å; R202-E235 PolarHBondContact NH2-OE2 2.86Å
203	G	93.5	Very high	92.7	Very high	69 Å²	69	48.8 Å²	48.8	71%	0.711	28%	0.279	S	S	*	.	H	α-helix	trans	-81.9	-30.1	175.9	0	0	0	0	0	113.7	K199 I200 M201	K199-G203 PolarHBondContact O-N 2.97Å; I200-G203 PolarHBondContact O-N 2.86Å; M201-G203 VanDerWaalsContact C-N 3.34Å
204	S	92.6	Very high	92.9	Very high	67 Å²	67	48 Å²	48	47%	0.469	28%	0.277	S	S	.	.	H	α-helix	trans	-97.3	-22.2	-175	-60.9	0	0	0	0	114.4	I200	I200-S204 VanDerWaalsContact O-CB 3.28Å; I200-S204 WeakPolarHBondContact O-CB 3.43Å; I200-S204 PolarHBondContact O-N 3.02Å; I200-S204 PolarHBondContact O-OG 3.1Å; I200-S204 VanDerWaalsContact O-OG 3.1Å
205	F	93.3	Very high	92.9	Very high	49 Å²	49	48.8 Å²	48.8	22%	0.215	28%	0.281	C	S	.	.			trans	-126.9	138.4	-175.9	-52.9	-75.7	0	0	0	112	Y175 L178 M201 S207	Y175-F205 HydrophobicContact CD2-CB 4.25Å; Y175-F205 HydrophobicContact CD2-CD1 4.04Å; Y175-F205 AromaticContact CD2-CD2 3.7Å; Y175-F205 HydrophobicContact CD2-CD2 3.7Å; Y175-F205 HydrophobicContact CD2-CE1 4.35Å; Y175-F205 HydrophobicContact CD2-CE2 4.05Å; Y175-F205 AromaticContact CD2-CG 3.71Å; Y175-F205 HydrophobicContact CD2-CG 3.71Å; Y175-F205 HydrophobicContact CD2-CZ 4.36Å; Y175-F205 HydrophobicContact CE2-CD2 4.42Å; Y175-F205 HydrophobicContact CE2-CG 4.46Å; L178-F205 HydrophobicContact CD1-CE2 3.7Å; L178-F205 HydrophobicContact CD1-CZ 4.21Å; M201-F205 HydrophobicContact CB-CD2 4.25Å; M201-F205 HydrophobicContact CG-CE2 4.5Å; M201-F205 WeakPolarHBondContact O-CB 3.27Å; M201-F205 WeakPolarHBondContact O-CD2 3.31Å; M201-F205 PolarHBondContact O-N 3.38Å; F205-S207 VanDerWaalsContact C-N 3.27Å; F205-S207 PolarHBondContact O-N 2.7Å
206	P	88.1	Confident	93.2	Very high	140 Å²	140	45.8 Å²	45.8	91%	0.909	27%	0.268	S	S	*	.	S	Bend	trans	-63.4	-28.6	-178.4	-23.9	33.8	0	0	0	114.7
207	S	86.8	Confident	93.4	Very high	86 Å²	86	42.9 Å²	42.9	60%	0.601	25%	0.253	S	S	*	.			trans	-148.7	148.4	-176.5	58.9	0	0	0	0	110.9	F205	F205-S207 VanDerWaalsContact C-N 3.27Å; F205-S207 PolarHBondContact O-N 2.7Å
208	L	90.9	Very high	93.5	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.131	26%	0.263	C	S	.	.			trans	-97.8	141	169.3	-58.6	178.3	0	0	0	109.1	Y175 Y198 M201 R202 A212 F216	Y175-L208 HydrophobicContact CE2-CD2 4.16Å; Y198-L208 HydrophobicContact CD2-CD1 4.43Å; Y198-L208 HydrophobicContact CE2-CD1 4.1Å; M201-L208 HydrophobicContact CB-CD2 3.81Å; M201-L208 HydrophobicContact CE-CD2 4.18Å; R202-L208 HydrophobicContact CG-CD1 4.19Å; L208-A212 HydrophobicContact CB-CB 4.37Å; L208-F216 HydrophobicContact CD1-CD2 3.82Å; L208-F216 HydrophobicContact CD1-CE2 3.64Å; L208-F216 HydrophobicContact CD2-CE2 4.36Å
209	D	89.3	Confident	93.6	Very high	61 Å²	61	43.9 Å²	43.9	33%	0.326	26%	0.258	S	S	.	.			trans	-72.6	172.3	169.7	66.2	14.7	0	0	0	111.8	Y175 G211 A212 S213	Y175-D209 WeakPolarHBondContact CE1-OD2 3.47Å; Y175-D209 PolarHBondContact OH-N 3.16Å; Y175-D209 PolarHBondContact OH-OD1 2.82Å; Y175-D209 PolarHBondContact OH-OD2 2.96Å; D209-G211 VanDerWaalsContact C-N 3.26Å; D209-G211 PolarHBondContact O-N 3.36Å; D209-G211 PolarHBondContact OD1-N 3.31Å; D209-A212 WeakPolarHBondContact OD1-CB 3.33Å; D209-A212 PolarHBondContact OD1-N 2.68Å; D209-S213 WeakPolarHBondContact O-CB 3.27Å; D209-S213 PolarHBondContact O-N 2.65Å; D209-S213 PolarHBondContact O-OG 2.82Å
210	T	88	Confident	93.7	Very high	51 Å²	51	39.2 Å²	39.2	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-31.6	179.4	47.5	0	0	0	0	112.8	S214 L240	T210-S214 VanDerWaalsContact O-CB 3.3Å; T210-S214 WeakPolarHBondContact O-CB 3.49Å; T210-S214 PolarHBondContact O-N 2.88Å; T210-S214 PolarHBondContact O-OG 2.99Å; T210-L240 HydrophobicContact CG2-CD1 3.75Å; T210-L240 HydrophobicContact CG2-CD2 3.23Å; T210-L240 HydrophobicContact CG2-CG 4.11Å
211	G	90.8	Very high	93.9	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-56.5	177.7	0	0	0	0	0	111.7	D209 S213 S214 L215	D209-G211 VanDerWaalsContact C-N 3.26Å; D209-G211 PolarHBondContact O-N 3.36Å; D209-G211 PolarHBondContact OD1-N 3.31Å; G211-S213 PolarHBondContact O-N 3.47Å; G211-S214 PolarHBondContact O-N 3.32Å; G211-L215 WeakPolarHBondContact O-CG 3.4Å; G211-L215 PolarHBondContact O-N 2.81Å; G211-L215 VanDerWaalsContact O-N 3.08Å
212	A	94.4	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.5	-47.2	176.3	0	0	0	0	0	111.4	Y175 L179 L182 M201 L208 D209 S214 L215 F216	Y175-A212 VanDerWaalsContact OH-CB 3.3Å; Y175-A212 WeakPolarHBondContact OH-CB 3.31Å; L179-A212 HydrophobicContact CD1-CB 3.92Å; L182-A212 HydrophobicContact CD2-CB 4.34Å; M201-A212 HydrophobicContact CE-CB 4.34Å; L208-A212 HydrophobicContact CB-CB 4.37Å; D209-A212 WeakPolarHBondContact OD1-CB 3.33Å; D209-A212 PolarHBondContact OD1-N 2.68Å; A212-S214 VanDerWaalsContact C-N 3.29Å; A212-S214 PolarHBondContact O-N 2.81Å; A212-L215 WeakPolarHBondContact O-CB 3.45Å; A212-L215 PolarHBondContact O-N 2.82Å; A212-L215 VanDerWaalsContact O-N 3.11Å; A212-F216 HydrophobicContact CB-CD2 4.44Å; A212-F216 HydrophobicContact CB-CE2 4.1Å; A212-F216 WeakPolarHBondContact O-CD2 3.45Å; A212-F216 PolarHBondContact O-N 3.03Å
213	S	95.7	Very high	93.9	Very high	10 Å²	10	39 Å²	39	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-39.4	180	-55.9	0	0	0	0	112	D209 G211 F216 I217	D209-S213 WeakPolarHBondContact O-CB 3.27Å; D209-S213 PolarHBondContact O-N 2.65Å; D209-S213 PolarHBondContact O-OG 2.82Å; G211-S213 PolarHBondContact O-N 3.47Å; S213-F216 PolarHBondContact O-N 2.77Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 3.27Å
214	S	96.2	Very high	93.9	Very high	19 Å²	19	40 Å²	40	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-38.7	175.7	-63.7	0	0	0	0	112.8	T210 G211 A212 I217 K218 N246	T210-S214 VanDerWaalsContact O-CB 3.3Å; T210-S214 WeakPolarHBondContact O-CB 3.49Å; T210-S214 PolarHBondContact O-N 2.88Å; T210-S214 PolarHBondContact O-OG 2.99Å; G211-S214 PolarHBondContact O-N 3.32Å; A212-S214 VanDerWaalsContact C-N 3.29Å; A212-S214 PolarHBondContact O-N 2.81Å; S214-I217 PolarHBondContact O-N 3.15Å; S214-K218 WeakPolarHBondContact O-CB 3.4Å; S214-K218 PolarHBondContact O-N 3.47Å; S214-N246 WeakPolarHBondContact CA-ND2 3.32Å; S214-N246 VanDerWaalsContact CB-ND2 3.31Å; S214-N246 WeakPolarHBondContact CB-ND2 3.02Å; S214-N246 PolarHBondContact OG-ND2 2.84Å
215	L	97.4	Very high	93.9	Very high	17 Å²	17	39.9 Å²	39.9	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-42	175.9	-73.6	172.7	0	0	0	111.9	L179 L182 T183 V186 G211 A212 K218 S219	L179-L215 HydrophobicContact CD1-CD1 3.88Å; L182-L215 HydrophobicContact CD2-CB 3.83Å; L182-L215 HydrophobicContact CD2-CD1 3.99Å; L182-L215 HydrophobicContact CG-CB 3.99Å; L182-L215 HydrophobicContact CG-CD1 3.98Å; T183-L215 WeakPolarHBondContact OG1-CD1 3.33Å; V186-L215 HydrophobicContact CB-CD2 4.09Å; V186-L215 HydrophobicContact CG1-CD2 3.93Å; V186-L215 HydrophobicContact CG2-CB 4.15Å; V186-L215 HydrophobicContact CG2-CD2 4.28Å; G211-L215 WeakPolarHBondContact O-CG 3.4Å; G211-L215 PolarHBondContact O-N 2.81Å; G211-L215 VanDerWaalsContact O-N 3.08Å; A212-L215 WeakPolarHBondContact O-CB 3.45Å; A212-L215 PolarHBondContact O-N 2.82Å; A212-L215 VanDerWaalsContact O-N 3.11Å; L215-K218 PolarHBondContact O-N 2.9Å; L215-S219 PolarHBondContact O-N 2.72Å
216	F	98	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-44.5	174.2	-68.4	-55.8	0	0	0	112.2	L182 V194 I197 Y198 M201 L208 A212 S213 K218 S219 F220 I232	L182-F216 HydrophobicContact CD1-CD1 4.02Å; L182-F216 HydrophobicContact CD1-CE1 3.6Å; L182-F216 HydrophobicContact CD1-CZ 4.18Å; L182-F216 HydrophobicContact CD2-CD1 4.27Å; L182-F216 HydrophobicContact CD2-CD2 4.3Å; L182-F216 HydrophobicContact CD2-CE1 3.78Å; L182-F216 HydrophobicContact CD2-CE2 3.82Å; L182-F216 HydrophobicContact CD2-CG 4.5Å; L182-F216 HydrophobicContact CD2-CZ 3.54Å; L182-F216 HydrophobicContact CG-CE1 4.35Å; L182-F216 HydrophobicContact CG-CZ 4.49Å; V194-F216 HydrophobicContact CG1-CD1 3.6Å; V194-F216 HydrophobicContact CG1-CE1 3.89Å; I197-F216 HydrophobicContact CG2-CE1 4.42Å; I197-F216 HydrophobicContact CG2-CZ 4.3Å; Y198-F216 VanDerWaalsContact CA-CE1 3.49Å; Y198-F216 VanDerWaalsContact CB-CE1 3.48Å; Y198-F216 HydrophobicContact CD2-CB 4.32Å; Y198-F216 AromaticContact CD2-CD1 3.69Å; Y198-F216 HydrophobicContact CD2-CD1 3.69Å; Y198-F216 AromaticContact CD2-CD2 3.71Å; Y198-F216 HydrophobicContact CD2-CD2 3.71Å; Y198-F216 AromaticContact CD2-CE1 3.83Å; Y198-F216 HydrophobicContact CD2-CE1 3.83Å; Y198-F216 AromaticContact CD2-CE2 3.83Å; Y198-F216 HydrophobicContact CD2-CE2 3.83Å; Y198-F216 AromaticContact CD2-CG 3.64Å; Y198-F216 HydrophobicContact CD2-CG 3.64Å; Y198-F216 AromaticContact CD2-CZ 3.89Å; Y198-F216 HydrophobicContact CD2-CZ 3.89Å; Y198-F216 HydrophobicContact CE2-CD2 4.22Å; Y198-F216 HydrophobicContact CE2-CG 4.31Å; Y198-F216 HydrophobicContact CG-CD1 4.19Å; Y198-F216 HydrophobicContact CG-CE1 4.15Å; Y198-F216 HydrophobicContact CG-CZ 4.47Å; M201-F216 HydrophobicContact SD-CE2 4.21Å; M201-F216 HydrophobicContact SD-CZ 3.79Å; L208-F216 HydrophobicContact CD1-CD2 3.82Å; L208-F216 HydrophobicContact CD1-CE2 3.64Å; L208-F216 HydrophobicContact CD2-CE2 4.36Å; A212-F216 HydrophobicContact CB-CD2 4.44Å; A212-F216 HydrophobicContact CB-CE2 4.1Å; A212-F216 WeakPolarHBondContact O-CD2 3.45Å; A212-F216 PolarHBondContact O-N 3.03Å; S213-F216 PolarHBondContact O-N 2.77Å; F216-K218 VanDerWaalsContact C-N 3.31Å; F216-K218 PolarHBondContact O-N 2.91Å; F216-S219 PolarHBondContact O-N 3.28Å; F216-F220 WeakPolarHBondContact O-CB 3.43Å; F216-F220 WeakPolarHBondContact O-CG 3.31Å; F216-F220 PolarHBondContact O-N 3.42Å; F216-I232 HydrophobicContact CB-CD1 3.76Å
217	I	97.9	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.8	-49.9	174.1	-76.3	171	0	0	0	110.3	S213 S214 S219 S221 A229 I232 L233 I236 N246 D249 I250	S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 3.27Å; S214-I217 PolarHBondContact O-N 3.15Å; I217-S219 PolarHBondContact O-N 3.44Å; I217-S221 WeakPolarHBondContact O-CB 3.36Å; I217-S221 PolarHBondContact O-N 3.34Å; I217-S221 PolarHBondContact O-OG 3.36Å; I217-A229 HydrophobicContact CB-CB 4.45Å; I217-A229 HydrophobicContact CG1-CB 4.38Å; I217-A229 HydrophobicContact CG2-CB 4.35Å; I217-I232 HydrophobicContact CD1-CB 4.35Å; I217-I232 HydrophobicContact CD1-CG2 3.92Å; I217-I232 HydrophobicContact CG1-CB 3.94Å; I217-I232 HydrophobicContact CG1-CG2 3.76Å; I217-L233 HydrophobicContact CD1-CB 4.16Å; I217-L233 HydrophobicContact CD1-CD1 4.11Å; I217-I236 HydrophobicContact CD1-CD1 3.56Å; I217-N246 HydrophobicContact CD1-CB 4.13Å; I217-N246 HydrophobicContact CG2-CB 4.43Å; I217-D249 HydrophobicContact CG2-CB 4.22Å; I217-I250 HydrophobicContact CD1-CD1 4.5Å; I217-I250 HydrophobicContact CG1-CD1 4.48Å; I217-I250 HydrophobicContact CG2-CD1 3.78Å; I217-I250 HydrophobicContact CG2-CG1 3.75Å
218	K	97.1	Very high	94.9	Very high	53 Å²	53	36.9 Å²	36.9	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-46.1	-178.8	-179.8	172.5	176.7	178.6	0	112.4	V186 S214 L215 F216 D249	V186-K218 HydrophobicContact CG1-CB 4.4Å; V186-K218 HydrophobicContact CG1-CD 3.88Å; V186-K218 HydrophobicContact CG1-CG 4.12Å; S214-K218 WeakPolarHBondContact O-CB 3.4Å; S214-K218 PolarHBondContact O-N 3.47Å; L215-K218 PolarHBondContact O-N 2.9Å; F216-K218 VanDerWaalsContact C-N 3.31Å; F216-K218 PolarHBondContact O-N 2.91Å; K218-D249 WeakPolarHBondContact CB-OD2 3.29Å
219	S	97.6	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.5	-51.6	179.3	179	0	0	0	0	112.1	D191 V194 L215 F216 I217 S221 R222	D191-S219 WeakPolarHBondContact CB-OG 3.3Å; D191-S219 WeakPolarHBondContact OD1-CA 3.45Å; D191-S219 VanDerWaalsContact OD1-CB 3.26Å; D191-S219 WeakPolarHBondContact OD1-CB 3.35Å; D191-S219 PolarHBondContact OD1-OG 2.77Å; V194-S219 WeakPolarHBondContact CB-OG 3.27Å; V194-S219 WeakPolarHBondContact CG1-OG 3.39Å; L215-S219 PolarHBondContact O-N 2.72Å; F216-S219 PolarHBondContact O-N 3.28Å; I217-S219 PolarHBondContact O-N 3.44Å; S219-S221 PolarHBondContact O-N 3.09Å; S219-R222 WeakPolarHBondContact O-CB 3.43Å; S219-R222 PolarHBondContact O-N 2.88Å
220	F	97.7	Very high	95.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-33.7	-177.7	-72	-0.3	0	0	0	112.3	V194 F195 Y198 F216 R222 T223 W226 E228 A229 I232	V194-F220 HydrophobicContact CG1-CE1 4.24Å; F195-F220 HydrophobicContact CD2-CZ 4.44Å; Y198-F220 HydrophobicContact CD1-CE2 4.04Å; Y198-F220 AromaticContact CD1-CZ 3.81Å; Y198-F220 HydrophobicContact CD1-CZ 3.81Å; Y198-F220 HydrophobicContact CD2-CE2 4.26Å; Y198-F220 HydrophobicContact CD2-CZ 4.18Å; Y198-F220 HydrophobicContact CE1-CE2 4.21Å; Y198-F220 HydrophobicContact CE1-CZ 4.44Å; Y198-F220 HydrophobicContact CE2-CE2 4.43Å; Y198-F220 HydrophobicContact CG-CE2 4.06Å; Y198-F220 AromaticContact CG-CZ 3.66Å; Y198-F220 HydrophobicContact CG-CZ 3.66Å; F216-F220 WeakPolarHBondContact O-CB 3.43Å; F216-F220 WeakPolarHBondContact O-CG 3.31Å; F216-F220 PolarHBondContact O-N 3.42Å; F220-R222 PolarHBondContact O-N 3.24Å; F220-T223 PolarHBondContact O-N 2.97Å; F220-T223 PolarHBondContact O-OG1 3.09Å; F220-W226 WeakPolarHBondContact O-CA 3.24Å; F220-W226 PolarHBondContact O-N 3.34Å; F220-E228 HydrophobicContact CD2-CB 3.71Å; F220-E228 HydrophobicContact CE2-CB 4.06Å; F220-A229 HydrophobicContact CB-CB 4.04Å; F220-I232 HydrophobicContact CD2-CD1 3.89Å; F220-I232 HydrophobicContact CE2-CD1 3.93Å
221	S	97	Very high	96	Very high	11 Å²	11	35.9 Å²	35.9	8%	0.077	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.9	174.7	-64.3	0	0	0	0	113.9	I217 S219 T223 D249 A253	I217-S221 WeakPolarHBondContact O-CB 3.36Å; I217-S221 PolarHBondContact O-N 3.34Å; I217-S221 PolarHBondContact O-OG 3.36Å; S219-S221 PolarHBondContact O-N 3.09Å; S221-T223 VanDerWaalsContact C-N 3.31Å; S221-D249 WeakPolarHBondContact CB-O 3.45Å; S221-A253 WeakPolarHBondContact O-CB 3.42Å
222	R	94.1	Very high	96.2	Very high	125 Å²	125	35.9 Å²	35.9	47%	0.472	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.4	177.2	-64.6	164.9	175.7	174.5	-11.5	113.6	V186 D191 S219 F220	V186-R222 PolarHBondContact O-NH1 2.96Å; D191-R222 IonicContact OD1-NH1 2.69Å; S219-R222 WeakPolarHBondContact O-CB 3.43Å; S219-R222 PolarHBondContact O-N 2.88Å; F220-R222 PolarHBondContact O-N 3.24Å
223	T	94.9	Very high	96.3	Very high	32 Å²	32	36 Å²	36	20%	0.196	18%	0.176	C	C	.	.	S	Bend	trans	-121.1	172.1	-171.9	73.4	0	0	0	0	111.3	D191 F220 S221 R225 W226 H257	D191-T223 HydrophobicContact CB-CG2 3.71Å; F220-T223 PolarHBondContact O-N 2.97Å; F220-T223 PolarHBondContact O-OG1 3.09Å; S221-T223 VanDerWaalsContact C-N 3.31Å; T223-R225 PolarHBondContact O-N 2.83Å; T223-R225 WeakPolarHBondContact OG1-CB 3.45Å; T223-R225 PolarHBondContact OG1-N 3.38Å; T223-R225 VanDerWaalsContact OG1-N 3.12Å; T223-W226 PolarHBondContact O-N 2.97Å; T223-H257 PolarHBondContact O-CE1 3.03Å
224	A	93.9	Very high	96.2	Very high	89 Å²	89	40.2 Å²	40.2	74%	0.736	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.8	170.8	0	0	0	0	0	113.6	W226	A224-W226 VanDerWaalsContact C-N 3.32Å; A224-W226 PolarHBondContact O-N 2.61Å
225	R	93.8	Very high	96.1	Very high	65 Å²	65	42.7 Å²	42.7	25%	0.245	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.2	-178.1	-53.4	-177	67.8	-133.2	7.8	113.3	F195 T223 R227 E228	F195-R225 VanDerWaalsContact CD2-CZ 3.44Å; T223-R225 PolarHBondContact O-N 2.83Å; T223-R225 WeakPolarHBondContact OG1-CB 3.45Å; T223-R225 PolarHBondContact OG1-N 3.38Å; T223-R225 VanDerWaalsContact OG1-N 3.12Å; R225-R227 PolarHBondContact O-N 3.32Å; R225-E228 VanDerWaalsContact CZ-CD 3.42Å; R225-E228 IonicContact CZ-OE1 3.72Å; R225-E228 IonicContact CZ-OE2 3.85Å; R225-E228 IonicContact NE-OE1 2.61Å; R225-E228 PolarHBondContact NE-OE1 3.17Å; R225-E228 IonicContact NE-OE2 3.31Å; R225-E228 IonicContact NH1-OE2 3.71Å; R225-E228 IonicContact NH2-OE1 2.83Å; R225-E228 PolarHBondContact NH2-OE1 3.04Å; R225-E228 IonicContact NH2-OE2 2.76Å; R225-E228 PolarHBondContact NH2-OE2 3.5Å; R225-E228 WeakPolarHBondContact O-CB 3.46Å; R225-E228 PolarHBondContact O-N 3.08Å
226	W	96.3	Very high	95.9	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-54	-25.2	-179.2	75.3	-87.5	0	0	0	114.5	F220 T223 A224 E228 A229 L230 I250 A253 A254 H257 D259 T262	F220-W226 WeakPolarHBondContact O-CA 3.24Å; F220-W226 PolarHBondContact O-N 3.34Å; T223-W226 PolarHBondContact O-N 2.97Å; A224-W226 VanDerWaalsContact C-N 3.32Å; A224-W226 PolarHBondContact O-N 2.61Å; W226-E228 PolarHBondContact O-N 3.12Å; W226-A229 VanDerWaalsContact O-CB 3.23Å; W226-A229 WeakPolarHBondContact O-CB 3.42Å; W226-A229 PolarHBondContact O-N 2.85Å; W226-L230 HydrophobicContact CE3-CD1 4.09Å; W226-L230 HydrophobicContact CE3-CG 4.3Å; W226-L230 HydrophobicContact CH2-CD1 4.07Å; W226-L230 HydrophobicContact CZ3-CD1 3.48Å; W226-L230 VanDerWaalsContact CZ3-CD1 3.48Å; W226-L230 HydrophobicContact CZ3-CG 4.01Å; W226-L230 PolarHBondContact O-N 3.43Å; W226-I250 HydrophobicContact CE3-CG2 4.39Å; W226-A253 HydrophobicContact CB-CB 3.65Å; W226-A253 HydrophobicContact CD2-CB 4.42Å; W226-A253 HydrophobicContact CE3-CB 4.4Å; W226-A253 HydrophobicContact CG-CB 4.14Å; W226-A254 HydrophobicContact CE3-CB 4.43Å; W226-A254 HydrophobicContact CH2-CB 4.03Å; W226-A254 HydrophobicContact CZ3-CB 3.8Å; W226-H257 AromaticContact CD1-CD2 3.68Å; W226-H257 AromaticContact CD1-CE1 3.38Å; W226-H257 AromaticContact CD1-CG 3.49Å; W226-H257 VanDerWaalsContact CD1-CG 3.49Å; W226-H257 AromaticContact CD1-ND1 3.31Å; W226-H257 VanDerWaalsContact CD1-ND1 3.31Å; W226-H257 AromaticContact CD1-NE2 3.61Å; W226-H257 AromaticContact CG-ND1 3.89Å; W226-H257 HydrophobicContact CZ2-CB 4.39Å; W226-H257 AromaticContact NE1-CD2 3.67Å; W226-H257 AromaticContact NE1-CG 3.32Å; W226-H257 VanDerWaalsContact NE1-CG 3.32Å; W226-H257 AromaticContact NE1-ND1 3.6Å; W226-D259 HydrophobicContact CH2-CB 3.97Å; W226-D259 WeakPolarHBondContact CH2-OD2 3.43Å; W226-D259 HydrophobicContact CZ2-CB 4.05Å; W226-T262 HydrophobicContact CH2-CG2 4.34Å; W226-T262 HydrophobicContact CZ3-CG2 4.2Å
227	R	96.9	Very high	95.6	Very high	143 Å²	143	45.4 Å²	45.4	54%	0.54	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-26.1	173.6	-67.6	-167.8	179.1	-76.9	-7.5	113.1	R225 A229 L230 E231 D259	R225-R227 PolarHBondContact O-N 3.32Å; R227-A229 VanDerWaalsContact C-N 3.35Å; R227-L230 WeakPolarHBondContact O-CB 3.38Å; R227-L230 PolarHBondContact O-N 3.08Å; R227-E231 PolarHBondContact O-N 3.19Å; R227-D259 IonicContact CZ-OD2 3.31Å; R227-D259 IonicContact NH1-OD2 2.69Å; R227-D259 IonicContact NH2-OD2 2.68Å; R227-D259 PolarHBondContact NH2-OD2 3.35Å
228	E	96.1	Very high	95.3	Very high	61 Å²	61	53.1 Å²	53.1	29%	0.285	25%	0.25	S	C	.	.	H	α-helix	trans	-74.1	-29.6	173.1	-66.4	177.4	-136.8	0	0	111.9	F220 R225 W226 L230 E231 I232	F220-E228 HydrophobicContact CD2-CB 3.71Å; F220-E228 HydrophobicContact CE2-CB 4.06Å; R225-E228 VanDerWaalsContact CZ-CD 3.42Å; R225-E228 IonicContact CZ-OE1 3.72Å; R225-E228 IonicContact CZ-OE2 3.85Å; R225-E228 IonicContact NE-OE1 2.61Å; R225-E228 PolarHBondContact NE-OE1 3.17Å; R225-E228 IonicContact NE-OE2 3.31Å; R225-E228 IonicContact NH1-OE2 3.71Å; R225-E228 IonicContact NH2-OE1 2.83Å; R225-E228 PolarHBondContact NH2-OE1 3.04Å; R225-E228 IonicContact NH2-OE2 2.76Å; R225-E228 PolarHBondContact NH2-OE2 3.5Å; R225-E228 WeakPolarHBondContact O-CB 3.46Å; R225-E228 PolarHBondContact O-N 3.08Å; W226-E228 PolarHBondContact O-N 3.12Å; E228-L230 PolarHBondContact O-N 3.46Å; E228-E231 PolarHBondContact O-N 2.94Å; E228-E231 VanDerWaalsContact O-N 3.17Å; E228-I232 WeakPolarHBondContact O-CG1 3.41Å; E228-I232 PolarHBondContact O-N 3.29Å
229	A	97.3	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-34.9	170.8	0	0	0	0	0	111.4	I217 F220 W226 R227 I232 L233 I250	I217-A229 HydrophobicContact CB-CB 4.45Å; I217-A229 HydrophobicContact CG1-CB 4.38Å; I217-A229 HydrophobicContact CG2-CB 4.35Å; F220-A229 HydrophobicContact CB-CB 4.04Å; W226-A229 VanDerWaalsContact O-CB 3.23Å; W226-A229 WeakPolarHBondContact O-CB 3.42Å; W226-A229 PolarHBondContact O-N 2.85Å; R227-A229 VanDerWaalsContact C-N 3.35Å; A229-I232 PolarHBondContact O-N 3.13Å; A229-L233 WeakPolarHBondContact O-CB 3.28Å; A229-L233 PolarHBondContact O-N 3.27Å; A229-I250 HydrophobicContact CB-CD1 4.11Å; A229-I250 HydrophobicContact CB-CG1 3.87Å; A229-I250 WeakPolarHBondContact O-CD1 3.13Å
230	L	96.8	Very high	94.6	Very high	23 Å²	23	59.8 Å²	59.8	12%	0.12	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-43.1	172.2	-72.9	168.3	0	0	0	112.3	W226 R227 E228 L233 K234 I250 T262 L266	W226-L230 HydrophobicContact CE3-CD1 4.09Å; W226-L230 HydrophobicContact CE3-CG 4.3Å; W226-L230 HydrophobicContact CH2-CD1 4.07Å; W226-L230 HydrophobicContact CZ3-CD1 3.48Å; W226-L230 VanDerWaalsContact CZ3-CD1 3.48Å; W226-L230 HydrophobicContact CZ3-CG 4.01Å; W226-L230 PolarHBondContact O-N 3.43Å; R227-L230 WeakPolarHBondContact O-CB 3.38Å; R227-L230 PolarHBondContact O-N 3.08Å; E228-L230 PolarHBondContact O-N 3.46Å; L230-L233 WeakPolarHBondContact O-CB 3.26Å; L230-L233 PolarHBondContact O-N 2.91Å; L230-K234 WeakPolarHBondContact O-CG 3.34Å; L230-K234 PolarHBondContact O-N 3.2Å; L230-I250 HydrophobicContact CD2-CG2 3.52Å; L230-I250 HydrophobicContact CG-CG2 3.91Å; L230-T262 HydrophobicContact CD1-CG2 4.22Å; L230-T262 HydrophobicContact CD2-CG2 4.04Å; L230-L266 HydrophobicContact CD2-CD1 3.87Å
231	E	95.7	Very high	94.4	Very high	93 Å²	93	63.6 Å²	63.6	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-43.5	178.5	-62.1	-49.4	129.1	0	0	111.3	R227 E228 L233 K234 E235	R227-E231 PolarHBondContact O-N 3.19Å; E228-E231 PolarHBondContact O-N 2.94Å; E228-E231 VanDerWaalsContact O-N 3.17Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.47Å; E231-K234 WeakPolarHBondContact O-CB 3.4Å; E231-K234 PolarHBondContact O-N 3.38Å; E231-K234 VanDerWaalsContact O-N 3.13Å; E231-K234 IonicContact OE1-NZ 2.69Å; E231-K234 PolarHBondContact OE1-NZ 3.35Å; E231-K234 IonicContact OE2-NZ 3.02Å; E231-K234 PolarHBondContact OE2-NZ 3.48Å; E231-E235 PolarHBondContact O-N 2.99Å
232	I	95.6	Very high	94.2	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-41.6	174.4	-60.6	167.2	0	0	0	110.5	Y198 F216 I217 F220 E228 A229 K234 E235 I236	Y198-I232 HydrophobicContact CE2-CD1 3.78Å; Y198-I232 HydrophobicContact CE2-CG1 4.31Å; F216-I232 HydrophobicContact CB-CD1 3.76Å; I217-I232 HydrophobicContact CD1-CB 4.35Å; I217-I232 HydrophobicContact CD1-CG2 3.92Å; I217-I232 HydrophobicContact CG1-CB 3.94Å; I217-I232 HydrophobicContact CG1-CG2 3.76Å; F220-I232 HydrophobicContact CD2-CD1 3.89Å; F220-I232 HydrophobicContact CE2-CD1 3.93Å; E228-I232 WeakPolarHBondContact O-CG1 3.41Å; E228-I232 PolarHBondContact O-N 3.29Å; A229-I232 PolarHBondContact O-N 3.13Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 2.99Å; I232-E235 WeakPolarHBondContact O-CB 3.46Å; I232-E235 PolarHBondContact O-N 3.41Å; I232-I236 HydrophobicContact CG2-CD1 4.41Å; I232-I236 WeakPolarHBondContact O-CG1 3.39Å; I232-I236 PolarHBondContact O-N 3.17Å
233	L	96.2	Very high	94.3	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-41.6	175.6	-171.8	78.8	0	0	0	111.5	I217 A229 L230 E231 E235 I236 K237 P242 N246 Y247 I250 L266	I217-L233 HydrophobicContact CD1-CB 4.16Å; I217-L233 HydrophobicContact CD1-CD1 4.11Å; A229-L233 WeakPolarHBondContact O-CB 3.28Å; A229-L233 PolarHBondContact O-N 3.27Å; L230-L233 WeakPolarHBondContact O-CB 3.26Å; L230-L233 PolarHBondContact O-N 2.91Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.47Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 2.86Å; L233-I236 PolarHBondContact O-N 2.89Å; L233-K237 VanDerWaalsContact O-CG 3.3Å; L233-K237 WeakPolarHBondContact O-CG 3.34Å; L233-K237 PolarHBondContact O-N 2.9Å; L233-P242 HydrophobicContact CD1-CB 3.56Å; L233-P242 HydrophobicContact CD1-CG 3.82Å; L233-P242 HydrophobicContact CG-CG 4.35Å; L233-N246 HydrophobicContact CD1-CB 3.68Å; L233-Y247 HydrophobicContact CD2-CD1 4.26Å; L233-Y247 HydrophobicContact CD2-CE1 4.19Å; L233-I250 HydrophobicContact CB-CD1 3.62Å; L233-I250 HydrophobicContact CD1-CD1 4.08Å; L233-I250 HydrophobicContact CD2-CD1 3.79Å; L233-I250 HydrophobicContact CG-CD1 4.01Å; L233-L266 HydrophobicContact CD2-CD2 3.84Å
234	K	94.9	Very high	94.3	Very high	100 Å²	100	58.8 Å²	58.8	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-40.3	175.9	-71.2	169.7	-173	170.2	0	111.8	L230 E231 I232 K237 Q238	L230-K234 WeakPolarHBondContact O-CG 3.34Å; L230-K234 PolarHBondContact O-N 3.2Å; E231-K234 WeakPolarHBondContact O-CB 3.4Å; E231-K234 PolarHBondContact O-N 3.38Å; E231-K234 VanDerWaalsContact O-N 3.13Å; E231-K234 IonicContact OE1-NZ 2.69Å; E231-K234 PolarHBondContact OE1-NZ 3.35Å; E231-K234 IonicContact OE2-NZ 3.02Å; E231-K234 PolarHBondContact OE2-NZ 3.48Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 2.99Å; K234-K237 WeakPolarHBondContact O-CB 3.39Å; K234-K237 PolarHBondContact O-N 3.05Å; K234-Q238 PolarHBondContact O-N 2.72Å
235	E	92.3	Very high	94.4	Very high	70 Å²	70	59.7 Å²	59.7	33%	0.327	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-45.7	175	-69.8	174.8	-158.2	0	0	111.4	R202 E231 I232 L233 K237 Q238	R202-E235 IonicContact CZ-OE1 3Å; R202-E235 IonicContact CZ-OE2 3.11Å; R202-E235 VanDerWaalsContact CZ-OE2 3.31Å; R202-E235 IonicContact NH1-OE1 3.4Å; R202-E235 IonicContact NH1-OE2 3.77Å; R202-E235 PolarHBondContact NH1-OE2 3.17Å; R202-E235 VanDerWaalsContact NH2-CD 3.26Å; R202-E235 IonicContact NH2-OE1 3.93Å; R202-E235 PolarHBondContact NH2-OE1 3.27Å; R202-E235 IonicContact NH2-OE2 2.75Å; R202-E235 PolarHBondContact NH2-OE2 2.86Å; E231-E235 PolarHBondContact O-N 2.99Å; I232-E235 WeakPolarHBondContact O-CB 3.46Å; I232-E235 PolarHBondContact O-N 3.41Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 2.86Å; E235-K237 VanDerWaalsContact C-N 3.28Å; E235-K237 PolarHBondContact O-N 3.34Å; E235-Q238 WeakPolarHBondContact O-CB 3.43Å; E235-Q238 PolarHBondContact O-N 3.48Å; E235-Q238 VanDerWaalsContact O-N 3.1Å
236	I	93.1	Very high	94.6	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-45	175.8	-64.2	173.3	0	0	0	110.2	I217 I232 L233 Q238 V239 L240 P242	I217-I236 HydrophobicContact CD1-CD1 3.56Å; I232-I236 HydrophobicContact CG2-CD1 4.41Å; I232-I236 WeakPolarHBondContact O-CG1 3.39Å; I232-I236 PolarHBondContact O-N 3.17Å; L233-I236 PolarHBondContact O-N 2.89Å; I236-Q238 PolarHBondContact O-N 3.03Å; I236-Q238 VanDerWaalsContact O-N 3.11Å; I236-V239 PolarHBondContact O-N 3.31Å; I236-L240 CarbonylContact C-O 3.54Å; I236-L240 HydrophobicContact CG2-CD1 3.46Å; I236-L240 VanDerWaalsContact CG2-CD1 3.46Å; I236-L240 HydrophobicContact CG2-CD2 4.4Å; I236-L240 HydrophobicContact CG2-CG 3.71Å; I236-L240 PolarHBondContact O-N 2.91Å; I236-P242 HydrophobicContact CB-CG 4.39Å; I236-P242 HydrophobicContact CG2-CB 4.11Å; I236-P242 HydrophobicContact CG2-CG 3.91Å
237	K	93.6	Very high	94.7	Very high	64 Å²	64	56.5 Å²	56.5	28%	0.278	27%	0.274	S	S	.	.	H	α-helix	trans	-58	-24.2	179.6	-72.3	174.7	-172.8	-173.9	0	113.9	L233 K234 E235 V239 L240 P242 Y247 E269	L233-K237 VanDerWaalsContact O-CG 3.3Å; L233-K237 WeakPolarHBondContact O-CG 3.34Å; L233-K237 PolarHBondContact O-N 2.9Å; K234-K237 WeakPolarHBondContact O-CB 3.39Å; K234-K237 PolarHBondContact O-N 3.05Å; E235-K237 VanDerWaalsContact C-N 3.28Å; E235-K237 PolarHBondContact O-N 3.34Å; K237-V239 VanDerWaalsContact C-N 3.3Å; K237-L240 WeakPolarHBondContact CA-O 3.42Å; K237-P242 HydrophobicContact CG-CG 3.49Å; K237-P242 VanDerWaalsContact CG-CG 3.49Å; K237-Y247 WeakPolarHBondContact CE-OH 3.4Å; K237-E269 WeakPolarHBondContact CE-OE1 3.2Å; K237-E269 IonicContact NZ-OE1 2.7Å; K237-E269 PolarHBondContact NZ-OE1 2.9Å; K237-E269 IonicContact NZ-OE2 2.98Å; K237-E269 PolarHBondContact NZ-OE2 3.48Å
238	Q	90.7	Very high	94.7	Very high	162 Å²	162	50 Å²	50	76%	0.757	25%	0.252	S	S	*	.	H	α-helix	trans	-73.8	-23.3	177.8	-65.9	175.1	9.8	0	0	112.7	K234 E235 I236	K234-Q238 PolarHBondContact O-N 2.72Å; E235-Q238 WeakPolarHBondContact O-CB 3.43Å; E235-Q238 PolarHBondContact O-N 3.48Å; E235-Q238 VanDerWaalsContact O-N 3.1Å; I236-Q238 PolarHBondContact O-N 3.03Å; I236-Q238 VanDerWaalsContact O-N 3.11Å
239	V	89.2	Confident	94.8	Very high	123 Å²	123	48.7 Å²	48.7	75%	0.745	25%	0.247	S	C	*	.	H	α-helix	trans	-113.4	-34.6	-173.7	-171.7	0	0	0	0	111.8	I236 K237	I236-V239 PolarHBondContact O-N 3.31Å; K237-V239 VanDerWaalsContact C-N 3.3Å
240	L	91.7	Very high	94.8	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.366	25%	0.247	S	C	.	.	S	Bend	trans	-155.8	169.5	-175.5	57.6	115.1	0	0	0	113	T210 I236 K237 P242	T210-L240 HydrophobicContact CG2-CD1 3.75Å; T210-L240 HydrophobicContact CG2-CD2 3.23Å; T210-L240 HydrophobicContact CG2-CG 4.11Å; I236-L240 CarbonylContact C-O 3.54Å; I236-L240 HydrophobicContact CG2-CD1 3.46Å; I236-L240 VanDerWaalsContact CG2-CD1 3.46Å; I236-L240 HydrophobicContact CG2-CD2 4.4Å; I236-L240 HydrophobicContact CG2-CG 3.71Å; I236-L240 PolarHBondContact O-N 2.91Å; K237-L240 WeakPolarHBondContact CA-O 3.42Å; L240-P242 WeakPolarHBondContact O-CD 3.09Å
241	T	91.8	Very high	94.9	Very high	81 Å²	81	47.6 Å²	47.6	50%	0.497	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-76.1	117.9	172.3	-62	0	0	0	0	110.2	K273 L275	T241-K273 HydrophobicContact CG2-CD 4.3Å; T241-L275 HydrophobicContact CG2-CD1 4.21Å
242	P	94.4	Very high	94.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-60.6	152.1	177.2	-18.6	29.2	0	0	0	112.1	L233 I236 K237 L240 N246 Y247	L233-P242 HydrophobicContact CD1-CB 3.56Å; L233-P242 HydrophobicContact CD1-CG 3.82Å; L233-P242 HydrophobicContact CG-CG 4.35Å; I236-P242 HydrophobicContact CB-CG 4.39Å; I236-P242 HydrophobicContact CG2-CB 4.11Å; I236-P242 HydrophobicContact CG2-CG 3.91Å; K237-P242 HydrophobicContact CG-CG 3.49Å; K237-P242 VanDerWaalsContact CG-CG 3.49Å; L240-P242 WeakPolarHBondContact O-CD 3.09Å; P242-N246 HydrophobicContact CB-CB 4.21Å; P242-Y247 HydrophobicContact CB-CD2 4.27Å; P242-Y247 HydrophobicContact CB-CE2 3.71Å; P242-Y247 HydrophobicContact CG-CE2 4.06Å
243	S	94.7	Very high	95	Very high	46 Å²	46	45 Å²	45	32%	0.322	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-70.8	155.3	179.3	73.1	0	0	0	0	111.6	R245 N246 Y247	S243-R245 PolarHBondContact O-N 3.37Å; S243-R245 VanDerWaalsContact O-N 3.14Å; S243-N246 WeakPolarHBondContact CB-OD1 3.33Å; S243-N246 PolarHBondContact N-OD1 3.25Å; S243-N246 PolarHBondContact O-N 2.93Å; S243-N246 PolarHBondContact OG-N 2.96Å; S243-N246 PolarHBondContact OG-OD1 3.36Å; S243-Y247 WeakPolarHBondContact O-CD2 3.44Å; S243-Y247 PolarHBondContact O-N 3.01Å
244	P	96.1	Very high	94.9	Very high	21 Å²	21	44.9 Å²	44.9	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-30.4	173.6	-20.9	29.6	0	0	0	113.1	G248 L275 S276	P244-G248 PolarHBondContact O-N 3.3Å; P244-L275 HydrophobicContact CG-CB 4.15Å; P244-L275 HydrophobicContact CG-CD1 4.46Å; P244-L275 HydrophobicContact CG-CD2 4.34Å; P244-S276 WeakPolarHBondContact CB-O 3.33Å
245	R	96	Very high	94.8	Very high	108 Å²	108	40.7 Å²	40.7	41%	0.408	22%	0.218	S	C	.	.	H	α-helix	trans	-66	-42.3	174.6	-177.8	176.2	-67.5	-74.9	2.4	112.1	S243 Y247 G248 D249	S243-R245 PolarHBondContact O-N 3.37Å; S243-R245 VanDerWaalsContact O-N 3.14Å; R245-Y247 VanDerWaalsContact C-N 3.33Å; R245-Y247 PolarHBondContact O-N 2.94Å; R245-G248 PolarHBondContact O-N 3.22Å; R245-G248 VanDerWaalsContact O-N 3.16Å; R245-D249 PolarHBondContact O-N 3.25Å
246	N	96.9	Very high	94.8	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-43.4	178.3	-57.7	127.8	0	0	0	111.6	S214 I217 L233 P242 S243 I250	S214-N246 WeakPolarHBondContact CA-ND2 3.32Å; S214-N246 VanDerWaalsContact CB-ND2 3.31Å; S214-N246 WeakPolarHBondContact CB-ND2 3.02Å; S214-N246 PolarHBondContact OG-ND2 2.84Å; I217-N246 HydrophobicContact CD1-CB 4.13Å; I217-N246 HydrophobicContact CG2-CB 4.43Å; L233-N246 HydrophobicContact CD1-CB 3.68Å; P242-N246 HydrophobicContact CB-CB 4.21Å; S243-N246 WeakPolarHBondContact CB-OD1 3.33Å; S243-N246 PolarHBondContact N-OD1 3.25Å; S243-N246 PolarHBondContact O-N 2.93Å; S243-N246 PolarHBondContact OG-N 2.96Å; S243-N246 PolarHBondContact OG-OD1 3.36Å; N246-I250 WeakPolarHBondContact O-CG1 3.45Å; N246-I250 PolarHBondContact O-N 3.43Å
247	Y	98.1	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-48.4	172.4	-74	-82	0	0	0	111.2	L233 K237 P242 S243 R245 D249 I250 I251 L266 E269 L270 K273 L275	L233-Y247 HydrophobicContact CD2-CD1 4.26Å; L233-Y247 HydrophobicContact CD2-CE1 4.19Å; K237-Y247 WeakPolarHBondContact CE-OH 3.4Å; P242-Y247 HydrophobicContact CB-CD2 4.27Å; P242-Y247 HydrophobicContact CB-CE2 3.71Å; P242-Y247 HydrophobicContact CG-CE2 4.06Å; S243-Y247 WeakPolarHBondContact O-CD2 3.44Å; S243-Y247 PolarHBondContact O-N 3.01Å; R245-Y247 VanDerWaalsContact C-N 3.33Å; R245-Y247 PolarHBondContact O-N 2.94Å; Y247-D249 PolarHBondContact O-N 3.42Å; Y247-I250 PolarHBondContact O-N 3.39Å; Y247-I251 WeakPolarHBondContact O-CB 3.41Å; Y247-I251 WeakPolarHBondContact O-CD1 3.3Å; Y247-I251 WeakPolarHBondContact O-CG1 3.43Å; Y247-I251 PolarHBondContact O-N 2.7Å; Y247-L266 HydrophobicContact CD1-CB 4.32Å; Y247-L266 HydrophobicContact CD1-CD2 4.06Å; Y247-L266 HydrophobicContact CE1-CD2 4.14Å; Y247-E269 HydrophobicContact CE1-CB 4.42Å; Y247-E269 HydrophobicContact CE1-CG 4.18Å; Y247-E269 PolarHBondContact OH-OE1 2.94Å; Y247-E269 VanDerWaalsContact OH-OE1 3.11Å; Y247-L270 HydrophobicContact CD1-CB 4.33Å; Y247-L270 HydrophobicContact CD2-CB 4.46Å; Y247-L270 HydrophobicContact CG-CB 4.18Å; Y247-L270 HydrophobicContact CG-CD1 4.25Å; Y247-L270 HydrophobicContact CG-CG 4.47Å; Y247-K273 WeakPolarHBondContact OH-CD 3.4Å; Y247-K273 VanDerWaalsContact OH-CE 3.29Å; Y247-K273 WeakPolarHBondContact OH-CE 3.33Å; Y247-L275 HydrophobicContact CD2-CD1 4.17Å; Y247-L275 HydrophobicContact CE2-CD1 3.89Å
248	G	97.5	Very high	94.5	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-44	-177.5	0	0	0	0	0	114	P244 R245 I250 I251 A252 T281	P244-G248 PolarHBondContact O-N 3.3Å; R245-G248 PolarHBondContact O-N 3.22Å; R245-G248 VanDerWaalsContact O-N 3.16Å; G248-I250 VanDerWaalsContact C-N 3.35Å; G248-I250 PolarHBondContact O-N 3.03Å; G248-I251 PolarHBondContact O-N 2.92Å; G248-A252 WeakPolarHBondContact O-CB 3.01Å; G248-A252 PolarHBondContact O-N 3.1Å; G248-T281 VanDerWaalsContact CA-OG1 3.25Å; G248-T281 WeakPolarHBondContact CA-OG1 3.3Å
249	D	97.8	Very high	94.6	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-45.1	178	-69.7	-27.5	0	0	0	110.8	I217 K218 S221 R245 Y247 A252 A253	I217-D249 HydrophobicContact CG2-CB 4.22Å; K218-D249 WeakPolarHBondContact CB-OD2 3.29Å; S221-D249 WeakPolarHBondContact CB-O 3.45Å; R245-D249 PolarHBondContact O-N 3.25Å; Y247-D249 PolarHBondContact O-N 3.42Å; D249-A252 PolarHBondContact O-N 3.14Å; D249-A253 PolarHBondContact O-N 2.99Å
250	I	98.3	Very high	94.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-74.2	-37.3	-178.9	-61.4	167.6	0	0	0	111.7	I217 W226 A229 L230 L233 N246 Y247 G248 A252 A253 A254 L266	I217-I250 HydrophobicContact CD1-CD1 4.5Å; I217-I250 HydrophobicContact CG1-CD1 4.48Å; I217-I250 HydrophobicContact CG2-CD1 3.78Å; I217-I250 HydrophobicContact CG2-CG1 3.75Å; W226-I250 HydrophobicContact CE3-CG2 4.39Å; A229-I250 HydrophobicContact CB-CD1 4.11Å; A229-I250 HydrophobicContact CB-CG1 3.87Å; A229-I250 WeakPolarHBondContact O-CD1 3.13Å; L230-I250 HydrophobicContact CD2-CG2 3.52Å; L230-I250 HydrophobicContact CG-CG2 3.91Å; L233-I250 HydrophobicContact CB-CD1 3.62Å; L233-I250 HydrophobicContact CD1-CD1 4.08Å; L233-I250 HydrophobicContact CD2-CD1 3.79Å; L233-I250 HydrophobicContact CG-CD1 4.01Å; N246-I250 WeakPolarHBondContact O-CG1 3.45Å; N246-I250 PolarHBondContact O-N 3.43Å; Y247-I250 PolarHBondContact O-N 3.39Å; G248-I250 VanDerWaalsContact C-N 3.35Å; G248-I250 PolarHBondContact O-N 3.03Å; I250-A252 VanDerWaalsContact C-N 3.32Å; I250-A252 PolarHBondContact O-N 2.78Å; I250-A253 WeakPolarHBondContact O-CB 3.29Å; I250-A253 PolarHBondContact O-N 2.95Å; I250-A254 WeakPolarHBondContact O-CB 3.2Å; I250-A254 PolarHBondContact O-N 2.82Å; I250-L266 HydrophobicContact CB-CD1 4.15Å; I250-L266 HydrophobicContact CG2-CD1 3.52Å
251	I	97.9	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-46.9	173.9	-72.1	165.1	0	0	0	109.6	Y247 G248 A253 A254 I255 A263 L266 T281 L285	Y247-I251 WeakPolarHBondContact O-CB 3.41Å; Y247-I251 WeakPolarHBondContact O-CD1 3.3Å; Y247-I251 WeakPolarHBondContact O-CG1 3.43Å; Y247-I251 PolarHBondContact O-N 2.7Å; G248-I251 PolarHBondContact O-N 2.92Å; I251-A253 VanDerWaalsContact C-N 3.32Å; I251-A253 PolarHBondContact O-N 3.05Å; I251-A254 PolarHBondContact O-N 2.71Å; I251-I255 WeakPolarHBondContact O-CG1 3.31Å; I251-I255 PolarHBondContact O-N 2.84Å; I251-A263 HydrophobicContact CG2-CB 4.26Å; I251-L266 HydrophobicContact CD1-CB 4.07Å; I251-L266 HydrophobicContact CG1-CB 3.69Å; I251-L266 HydrophobicContact CG1-CD1 4.31Å; I251-T281 HydrophobicContact CB-CG2 4.27Å; I251-T281 HydrophobicContact CD1-CG2 3.82Å; I251-T281 HydrophobicContact CG2-CG2 3.95Å; I251-L285 HydrophobicContact CG2-CD2 3.87Å; I251-L285 HydrophobicContact CG2-CG 4.13Å
252	A	96.6	Very high	94.8	Very high	36 Å²	36	33.7 Å²	33.7	30%	0.298	18%	0.178	S	C	.	.	H	α-helix	trans	-61	-42.4	177.2	0	0	0	0	0	111.9	G248 D249 I250 I255 H256 A284	G248-A252 WeakPolarHBondContact O-CB 3.01Å; G248-A252 PolarHBondContact O-N 3.1Å; D249-A252 PolarHBondContact O-N 3.14Å; I250-A252 VanDerWaalsContact C-N 3.32Å; I250-A252 PolarHBondContact O-N 2.78Å; A252-I255 PolarHBondContact O-N 2.96Å; A252-H256 WeakPolarHBondContact O-CB 3.25Å; A252-H256 PolarHBondContact O-N 2.74Å; A252-A284 HydrophobicContact CB-CB 3.74Å
253	A	96.6	Very high	94.9	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-44.8	175.9	0	0	0	0	0	112.9	S221 W226 D249 I250 I251 I255 H256 H257	S221-A253 WeakPolarHBondContact O-CB 3.42Å; W226-A253 HydrophobicContact CB-CB 3.65Å; W226-A253 HydrophobicContact CD2-CB 4.42Å; W226-A253 HydrophobicContact CE3-CB 4.4Å; W226-A253 HydrophobicContact CG-CB 4.14Å; D249-A253 PolarHBondContact O-N 2.99Å; I250-A253 WeakPolarHBondContact O-CB 3.29Å; I250-A253 PolarHBondContact O-N 2.95Å; I251-A253 VanDerWaalsContact C-N 3.32Å; I251-A253 PolarHBondContact O-N 3.05Å; A253-I255 VanDerWaalsContact C-N 3.34Å; A253-I255 PolarHBondContact O-N 2.85Å; A253-H256 PolarHBondContact O-N 3.1Å; A253-H257 PolarHBondContact O-N 3.28Å; A253-H257 PolarHBondContact O-ND1 2.78Å
254	A	95.3	Very high	94.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-43.8	178.9	0	0	0	0	0	110.8	W226 I250 I251 H257 K258 D259 T262 A263	W226-A254 HydrophobicContact CE3-CB 4.43Å; W226-A254 HydrophobicContact CH2-CB 4.03Å; W226-A254 HydrophobicContact CZ3-CB 3.8Å; I250-A254 WeakPolarHBondContact O-CB 3.2Å; I250-A254 PolarHBondContact O-N 2.82Å; I251-A254 PolarHBondContact O-N 2.71Å; A254-H257 CarbonylContact O-C 3.57Å; A254-H257 PolarHBondContact O-N 3.17Å; A254-K258 PolarHBondContact O-N 2.96Å; A254-K258 VanDerWaalsContact O-N 3.15Å; A254-D259 HydrophobicContact CB-CB 4.38Å; A254-D259 PolarHBondContact O-N 3.1Å; A254-T262 HydrophobicContact CB-CG2 4.46Å; A254-A263 HydrophobicContact CB-CB 3.94Å
255	I	93.1	Very high	94.9	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.067	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-47.3	174.6	-69.2	-61.9	0	0	0	111.8	I251 A252 A253 H257 K258 A263 L285	I251-I255 WeakPolarHBondContact O-CG1 3.31Å; I251-I255 PolarHBondContact O-N 2.84Å; A252-I255 PolarHBondContact O-N 2.96Å; A253-I255 VanDerWaalsContact C-N 3.34Å; A253-I255 PolarHBondContact O-N 2.85Å; I255-H257 PolarHBondContact O-N 2.91Å; I255-K258 PolarHBondContact O-N 3.28Å; I255-A263 HydrophobicContact CD1-CB 3.5Å; I255-A263 VanDerWaalsContact CD1-CB 3.5Å; I255-A263 HydrophobicContact CG1-CB 3.68Å; I255-L285 HydrophobicContact CD1-CD2 4.08Å; I255-L285 HydrophobicContact CG1-CD2 4.15Å
256	H	91.6	Very high	95	Very high	129 Å²	129	28.7 Å²	28.7	60%	0.597	16%	0.163	S	C	*	.	H	α-helix	trans	-58.3	-36.9	177.6	177.9	-87.7	0	0	0	112.2	A252 A253 K258	A252-H256 WeakPolarHBondContact O-CB 3.25Å; A252-H256 PolarHBondContact O-N 2.74Å; A253-H256 PolarHBondContact O-N 3.1Å; H256-K258 VanDerWaalsContact C-N 3.28Å; H256-K258 PolarHBondContact O-N 3.29Å
257	H	91.6	Very high	95.1	Very high	67 Å²	67	29.1 Å²	29.1	31%	0.31	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	18.3	176.9	-64.2	86.4	0	0	0	113.6	T223 W226 A253 A254 I255 D259	T223-H257 PolarHBondContact O-CE1 3.03Å; W226-H257 AromaticContact CD1-CD2 3.68Å; W226-H257 AromaticContact CD1-CE1 3.38Å; W226-H257 AromaticContact CD1-CG 3.49Å; W226-H257 VanDerWaalsContact CD1-CG 3.49Å; W226-H257 AromaticContact CD1-ND1 3.31Å; W226-H257 VanDerWaalsContact CD1-ND1 3.31Å; W226-H257 AromaticContact CD1-NE2 3.61Å; W226-H257 AromaticContact CG-ND1 3.89Å; W226-H257 HydrophobicContact CZ2-CB 4.39Å; W226-H257 AromaticContact NE1-CD2 3.67Å; W226-H257 AromaticContact NE1-CG 3.32Å; W226-H257 VanDerWaalsContact NE1-CG 3.32Å; W226-H257 AromaticContact NE1-ND1 3.6Å; A253-H257 PolarHBondContact O-N 3.28Å; A253-H257 PolarHBondContact O-ND1 2.78Å; A254-H257 CarbonylContact O-C 3.57Å; A254-H257 PolarHBondContact O-N 3.17Å; I255-H257 PolarHBondContact O-N 2.91Å; H257-D259 PolarHBondContact O-N 3.31Å; H257-D259 VanDerWaalsContact O-N 3.16Å
258	K	89.2	Confident	95	Very high	89 Å²	89	31.8 Å²	31.8	39%	0.387	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	23.4	176.1	-46.7	-57.2	-172.8	-175.4	0	115	A254 I255 H256 A260 E291	A254-K258 PolarHBondContact O-N 2.96Å; A254-K258 VanDerWaalsContact O-N 3.15Å; I255-K258 PolarHBondContact O-N 3.28Å; H256-K258 VanDerWaalsContact C-N 3.28Å; H256-K258 PolarHBondContact O-N 3.29Å; K258-A260 PolarHBondContact O-N 3.08Å; K258-E291 VanDerWaalsContact NZ-CB 3.27Å; K258-E291 IonicContact NZ-OE2 2.76Å; K258-E291 PolarHBondContact NZ-OE2 3.44Å
259	D	91.8	Very high	95	Very high	31 Å²	31	33.6 Å²	33.6	17%	0.166	19%	0.185	C	C	.	.			trans	-95.4	67.6	175.5	-163.5	-29.2	0	0	0	110.6	W226 R227 A254 H257 T261 T262 A263	W226-D259 HydrophobicContact CH2-CB 3.97Å; W226-D259 WeakPolarHBondContact CH2-OD2 3.43Å; W226-D259 HydrophobicContact CZ2-CB 4.05Å; R227-D259 IonicContact CZ-OD2 3.31Å; R227-D259 IonicContact NH1-OD2 2.69Å; R227-D259 IonicContact NH2-OD2 2.68Å; R227-D259 PolarHBondContact NH2-OD2 3.35Å; A254-D259 HydrophobicContact CB-CB 4.38Å; A254-D259 PolarHBondContact O-N 3.1Å; H257-D259 PolarHBondContact O-N 3.31Å; H257-D259 VanDerWaalsContact O-N 3.16Å; D259-T261 VanDerWaalsContact C-N 3.26Å; D259-T261 PolarHBondContact O-N 3.21Å; D259-T262 PolarHBondContact O-N 3.29Å; D259-T262 WeakPolarHBondContact OD1-CB 3.49Å; D259-T262 PolarHBondContact OD1-N 3.43Å; D259-T262 PolarHBondContact OD1-OG1 3Å; D259-T262 PolarHBondContact OD2-OG1 3.45Å; D259-A263 PolarHBondContact O-N 3.4Å; D259-A263 VanDerWaalsContact O-N 3.14Å
260	A	90.4	Very high	94.9	Very high	13 Å²	13	32 Å²	32	11%	0.107	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-34.8	-178	0	0	0	0	0	112.6	K258 A263 W264 M301	K258-A260 PolarHBondContact O-N 3.08Å; A260-A263 PolarHBondContact O-N 2.77Å; A260-W264 WeakPolarHBondContact O-CB 3.41Å; A260-W264 PolarHBondContact O-N 3.37Å; A260-M301 HydrophobicContact CB-CB 4.42Å; A260-M301 HydrophobicContact CB-SD 4.43Å
261	T	91.9	Very high	94.7	Very high	71 Å²	71	33.6 Å²	33.6	44%	0.436	18%	0.184	S	C	.	.	H	α-helix	trans	-61.5	-46.7	179.2	-58.1	0	0	0	0	111.4	D259 A265	D259-T261 VanDerWaalsContact C-N 3.26Å; D259-T261 PolarHBondContact O-N 3.21Å; T261-A265 WeakPolarHBondContact O-CB 3.46Å; T261-A265 PolarHBondContact O-N 3.25Å
262	T	94.9	Very high	94.4	Very high	33 Å²	33	39.3 Å²	39.3	20%	0.202	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-42.3	176.6	-58.8	0	0	0	0	111.4	W226 L230 A254 D259 W264 A265 L266	W226-T262 HydrophobicContact CH2-CG2 4.34Å; W226-T262 HydrophobicContact CZ3-CG2 4.2Å; L230-T262 HydrophobicContact CD1-CG2 4.22Å; L230-T262 HydrophobicContact CD2-CG2 4.04Å; A254-T262 HydrophobicContact CB-CG2 4.46Å; D259-T262 PolarHBondContact O-N 3.29Å; D259-T262 WeakPolarHBondContact OD1-CB 3.49Å; D259-T262 PolarHBondContact OD1-N 3.43Å; D259-T262 PolarHBondContact OD1-OG1 3Å; D259-T262 PolarHBondContact OD2-OG1 3.45Å; T262-W264 PolarHBondContact O-N 3.48Å; T262-A265 PolarHBondContact O-N 3.02Å; T262-L266 HydrophobicContact CG2-CD1 4.12Å; T262-L266 HydrophobicContact CG2-CG 4.49Å; T262-L266 WeakPolarHBondContact O-CG 3.4Å; T262-L266 PolarHBondContact O-N 3.02Å
263	A	96.2	Very high	94.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-49.7	178.7	0	0	0	0	0	112	I251 A254 I255 D259 A260 L266 Y267	I251-A263 HydrophobicContact CG2-CB 4.26Å; A254-A263 HydrophobicContact CB-CB 3.94Å; I255-A263 HydrophobicContact CD1-CB 3.5Å; I255-A263 VanDerWaalsContact CD1-CB 3.5Å; I255-A263 HydrophobicContact CG1-CB 3.68Å; D259-A263 PolarHBondContact O-N 3.4Å; D259-A263 VanDerWaalsContact O-N 3.14Å; A260-A263 PolarHBondContact O-N 2.77Å; A263-L266 PolarHBondContact O-N 3.31Å; A263-Y267 WeakPolarHBondContact O-CB 3.4Å; A263-Y267 PolarHBondContact O-N 2.93Å
264	W	95.7	Very high	93.7	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-71.1	-34.5	-179.3	-76.7	117.7	0	0	0	113	A260 T262 Y267 D268 L285 M301 R309 L310 V313	A260-W264 WeakPolarHBondContact O-CB 3.41Å; A260-W264 PolarHBondContact O-N 3.37Å; T262-W264 PolarHBondContact O-N 3.48Å; W264-Y267 HydrophobicContact CE3-CD1 4.02Å; W264-Y267 HydrophobicContact CE3-CG 4.18Å; W264-Y267 AromaticContact CZ3-CD1 3.95Å; W264-Y267 HydrophobicContact CZ3-CD1 3.95Å; W264-Y267 HydrophobicContact CZ3-CE1 4.31Å; W264-Y267 HydrophobicContact CZ3-CG 4.24Å; W264-Y267 PolarHBondContact O-N 3.04Å; W264-D268 PolarHBondContact O-N 3.34Å; W264-L285 HydrophobicContact CD2-CD2 4.28Å; W264-L285 HydrophobicContact CE3-CD2 4.25Å; W264-L285 HydrophobicContact CH2-CB 4.44Å; W264-L285 HydrophobicContact CH2-CD1 4.15Å; W264-L285 HydrophobicContact CH2-CD2 4.12Å; W264-L285 HydrophobicContact CH2-CG 4.48Å; W264-L285 HydrophobicContact CZ2-CD2 4.08Å; W264-L285 HydrophobicContact CZ3-CD1 3.99Å; W264-L285 HydrophobicContact CZ3-CD2 4.19Å; W264-M301 HydrophobicContact CB-CE 4.27Å; W264-M301 HydrophobicContact CB-SD 4.37Å; W264-M301 HydrophobicContact CG-CE 4.05Å; W264-M301 HydrophobicContact CG-SD 4.11Å; W264-R309 HydrophobicContact CD2-CB 4.03Å; W264-R309 HydrophobicContact CD2-CG 4.31Å; W264-R309 HydrophobicContact CE3-CB 4.08Å; W264-R309 VanDerWaalsContact CE3-NE 3.34Å; W264-R309 HydrophobicContact CH2-CB 3.54Å; W264-R309 HydrophobicContact CZ2-CB 3.5Å; W264-R309 VanDerWaalsContact CZ2-CB 3.5Å; W264-R309 HydrophobicContact CZ3-CB 3.84Å; W264-R309 PolarHBondContact O-NH2 3.33Å; W264-L310 HydrophobicContact CH2-CD2 3.87Å; W264-L310 HydrophobicContact CH2-CG 4.3Å; W264-L310 HydrophobicContact CZ2-CD2 3.95Å; W264-L310 HydrophobicContact CZ2-CG 4.13Å; W264-V313 HydrophobicContact CH2-CG2 3.94Å; W264-V313 HydrophobicContact CZ3-CG2 4Å
265	A	96.5	Very high	93.5	Very high	56 Å²	56	44 Å²	44	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-42.6	173.7	0	0	0	0	0	112.1	T261 T262 D268 E269	T261-A265 WeakPolarHBondContact O-CB 3.46Å; T261-A265 PolarHBondContact O-N 3.25Å; T262-A265 PolarHBondContact O-N 3.02Å; A265-D268 PolarHBondContact O-N 3.16Å; A265-E269 PolarHBondContact O-N 2.69Å
266	L	97.8	Very high	93.3	Very high	11 Å²	11	44 Å²	44	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-35.3	174.9	-73.1	175	0	0	0	112.4	L230 L233 Y247 I250 I251 T262 A263 L270	L230-L266 HydrophobicContact CD2-CD1 3.87Å; L233-L266 HydrophobicContact CD2-CD2 3.84Å; Y247-L266 HydrophobicContact CD1-CB 4.32Å; Y247-L266 HydrophobicContact CD1-CD2 4.06Å; Y247-L266 HydrophobicContact CE1-CD2 4.14Å; I250-L266 HydrophobicContact CB-CD1 4.15Å; I250-L266 HydrophobicContact CG2-CD1 3.52Å; I251-L266 HydrophobicContact CD1-CB 4.07Å; I251-L266 HydrophobicContact CG1-CB 3.69Å; I251-L266 HydrophobicContact CG1-CD1 4.31Å; T262-L266 HydrophobicContact CG2-CD1 4.12Å; T262-L266 HydrophobicContact CG2-CG 4.49Å; T262-L266 WeakPolarHBondContact O-CG 3.4Å; T262-L266 PolarHBondContact O-N 3.02Å; A263-L266 PolarHBondContact O-N 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.32Å; L266-L270 PolarHBondContact O-N 2.75Å
267	Y	97.6	Very high	93.5	Very high	13 Å²	13	38.1 Å²	38.1	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-45.8	173.5	-174.6	-94.4	0	0	0	111	A263 W264 L270 I271 P277 T281 W282 L285 V313	A263-Y267 WeakPolarHBondContact O-CB 3.4Å; A263-Y267 PolarHBondContact O-N 2.93Å; W264-Y267 HydrophobicContact CE3-CD1 4.02Å; W264-Y267 HydrophobicContact CE3-CG 4.18Å; W264-Y267 AromaticContact CZ3-CD1 3.95Å; W264-Y267 HydrophobicContact CZ3-CD1 3.95Å; W264-Y267 HydrophobicContact CZ3-CE1 4.31Å; W264-Y267 HydrophobicContact CZ3-CG 4.24Å; W264-Y267 PolarHBondContact O-N 3.04Å; Y267-L270 WeakPolarHBondContact O-CB 3.1Å; Y267-L270 PolarHBondContact O-N 3.45Å; Y267-I271 HydrophobicContact CD1-CG1 4.1Å; Y267-I271 HydrophobicContact CE1-CD1 4.24Å; Y267-I271 HydrophobicContact CE1-CG1 3.75Å; Y267-I271 VanDerWaalsContact O-CG1 3.3Å; Y267-I271 WeakPolarHBondContact O-CG1 3.38Å; Y267-I271 PolarHBondContact O-N 2.98Å; Y267-P277 HydrophobicContact CD2-CG 4.48Å; Y267-P277 HydrophobicContact CE2-CB 4.13Å; Y267-P277 HydrophobicContact CE2-CG 3.62Å; Y267-T281 HydrophobicContact CD2-CG2 4.39Å; Y267-W282 AromaticContact CE2-NE1 3.92Å; Y267-W282 PolarHBondContact OH-NE1 3.15Å; Y267-L285 HydrophobicContact CD2-CD1 3.57Å; Y267-L285 HydrophobicContact CE2-CD1 3.78Å; Y267-L285 HydrophobicContact CG-CD1 4.2Å; Y267-V313 HydrophobicContact CE1-CG2 4.24Å
268	D	96.9	Very high	93.6	Very high	56 Å²	56	37.9 Å²	37.9	30%	0.299	20%	0.203	S	C	.	.	H	α-helix	trans	-61.1	-47.1	176.8	-69.5	-27.9	0	0	0	111.8	W264 A265 L270 I271 E272 R309	W264-D268 PolarHBondContact O-N 3.34Å; A265-D268 PolarHBondContact O-N 3.16Å; D268-L270 VanDerWaalsContact C-N 3.28Å; D268-L270 PolarHBondContact O-N 3.33Å; D268-I271 PolarHBondContact O-N 2.97Å; D268-I271 VanDerWaalsContact O-N 3.1Å; D268-E272 WeakPolarHBondContact O-CB 3.4Å; D268-E272 VanDerWaalsContact O-CG 3.32Å; D268-E272 WeakPolarHBondContact O-CG 3.32Å; D268-E272 PolarHBondContact O-N 3.34Å; D268-R309 VanDerWaalsContact CG-NH1 3.26Å; D268-R309 IonicContact OD1-CZ 3.24Å; D268-R309 IonicContact OD1-NH1 2.83Å; D268-R309 PolarHBondContact OD1-NH1 2.8Å; D268-R309 IonicContact OD1-NH2 2.8Å; D268-R309 PolarHBondContact OD1-NH2 3.16Å; D268-R309 IonicContact OD2-CZ 3.93Å; D268-R309 IonicContact OD2-NH1 3.89Å; D268-R309 PolarHBondContact OD2-NH1 2.88Å; D268-R309 IonicContact OD2-NH2 3.4Å; D268-R309 PolarHBondContact OD2-NH2 3.14Å
269	E	97	Very high	93.8	Very high	45 Å²	45	35.2 Å²	35.2	21%	0.21	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-39.9	177.2	-175.3	-176.8	169	0	0	112.1	K237 Y247 A265 K273	K237-E269 WeakPolarHBondContact CE-OE1 3.2Å; K237-E269 IonicContact NZ-OE1 2.7Å; K237-E269 PolarHBondContact NZ-OE1 2.9Å; K237-E269 IonicContact NZ-OE2 2.98Å; K237-E269 PolarHBondContact NZ-OE2 3.48Å; Y247-E269 HydrophobicContact CE1-CB 4.42Å; Y247-E269 HydrophobicContact CE1-CG 4.18Å; Y247-E269 PolarHBondContact OH-OE1 2.94Å; Y247-E269 VanDerWaalsContact OH-OE1 3.11Å; A265-E269 PolarHBondContact O-N 2.69Å; E269-K273 HydrophobicContact CG-CD 4.14Å; E269-K273 WeakPolarHBondContact O-CB 3.34Å; E269-K273 VanDerWaalsContact O-CG 3.32Å; E269-K273 WeakPolarHBondContact O-CG 3.38Å; E269-K273 PolarHBondContact O-N 2.8Å; E269-K273 WeakPolarHBondContact OE1-CE 3.44Å
270	L	96.1	Very high	93.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.8	-48.6	175.2	178.6	167.8	0	0	0	110.2	Y247 L266 Y267 D268 K273 L275 P277	Y247-L270 HydrophobicContact CD1-CB 4.33Å; Y247-L270 HydrophobicContact CD2-CB 4.46Å; Y247-L270 HydrophobicContact CG-CB 4.18Å; Y247-L270 HydrophobicContact CG-CD1 4.25Å; Y247-L270 HydrophobicContact CG-CG 4.47Å; L266-L270 WeakPolarHBondContact O-CB 3.32Å; L266-L270 PolarHBondContact O-N 2.75Å; Y267-L270 WeakPolarHBondContact O-CB 3.1Å; Y267-L270 PolarHBondContact O-N 3.45Å; D268-L270 VanDerWaalsContact C-N 3.28Å; D268-L270 PolarHBondContact O-N 3.33Å; L270-K273 PolarHBondContact O-N 3.31Å; L270-L275 HydrophobicContact CD2-CB 3.86Å; L270-L275 VanDerWaalsContact CD2-O 3.23Å; L270-L275 WeakPolarHBondContact CD2-O 3.47Å; L270-L275 HydrophobicContact CG-CB 3.94Å; L270-L275 WeakPolarHBondContact O-CB 3.01Å; L270-L275 PolarHBondContact O-N 2.96Å; L270-L275 VanDerWaalsContact O-N 3.15Å; L270-P277 HydrophobicContact CD1-CB 4.47Å; L270-P277 HydrophobicContact CD2-CB 4.34Å; L270-P277 HydrophobicContact CD2-CG 3.64Å
271	I	93.6	Very high	94.2	Very high	34 Å²	34	38.2 Å²	38.2	17%	0.174	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-42.7	-178.8	-60.8	-61.9	0	0	0	111.5	Y267 D268 K273 G274 P277 Y316	Y267-I271 HydrophobicContact CD1-CG1 4.1Å; Y267-I271 HydrophobicContact CE1-CD1 4.24Å; Y267-I271 HydrophobicContact CE1-CG1 3.75Å; Y267-I271 VanDerWaalsContact O-CG1 3.3Å; Y267-I271 WeakPolarHBondContact O-CG1 3.38Å; Y267-I271 PolarHBondContact O-N 2.98Å; D268-I271 PolarHBondContact O-N 2.97Å; D268-I271 VanDerWaalsContact O-N 3.1Å; I271-K273 PolarHBondContact O-N 2.92Å; I271-G274 WeakPolarHBondContact O-CA 3.37Å; I271-G274 PolarHBondContact O-N 2.7Å; I271-P277 HydrophobicContact CD1-CG 3.65Å; I271-Y316 HydrophobicContact CD1-CD2 4.09Å; I271-Y316 HydrophobicContact CD1-CE1 4.03Å; I271-Y316 HydrophobicContact CD1-CE2 3.56Å; I271-Y316 HydrophobicContact CG2-CD2 4.4Å; I271-Y316 HydrophobicContact CG2-CE2 4.05Å
272	E	92.6	Very high	94.4	Very high	120 Å²	120	35 Å²	35	56%	0.561	18%	0.183	S	C	*	.	H	α-helix	trans	-60.8	-34.2	177.3	-75.3	177.4	177.4	0	0	112.2	D268 G274	D268-E272 WeakPolarHBondContact O-CB 3.4Å; D268-E272 VanDerWaalsContact O-CG 3.32Å; D268-E272 WeakPolarHBondContact O-CG 3.32Å; D268-E272 PolarHBondContact O-N 3.34Å; E272-G274 PolarHBondContact O-N 3.4Å
273	K	90.3	Very high	94.4	Very high	91 Å²	91	34.2 Å²	34.2	40%	0.396	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	0.3	173.4	-73.5	174.3	-179.5	-78.4	0	113.6	T241 Y247 E269 L270 I271 L275	T241-K273 HydrophobicContact CG2-CD 4.3Å; Y247-K273 WeakPolarHBondContact OH-CD 3.4Å; Y247-K273 VanDerWaalsContact OH-CE 3.29Å; Y247-K273 WeakPolarHBondContact OH-CE 3.33Å; E269-K273 HydrophobicContact CG-CD 4.14Å; E269-K273 WeakPolarHBondContact O-CB 3.34Å; E269-K273 VanDerWaalsContact O-CG 3.32Å; E269-K273 WeakPolarHBondContact O-CG 3.38Å; E269-K273 PolarHBondContact O-N 2.8Å; E269-K273 WeakPolarHBondContact OE1-CE 3.44Å; L270-K273 PolarHBondContact O-N 3.31Å; I271-K273 PolarHBondContact O-N 2.92Å; K273-L275 VanDerWaalsContact C-N 3.25Å; K273-L275 HydrophobicContact CB-CD1 4.28Å; K273-L275 HydrophobicContact CB-CG 4.08Å; K273-L275 PolarHBondContact O-N 3.44Å
274	G	87.4	Confident	94.4	Very high	15 Å²	15	35 Å²	35	16%	0.155	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	17.8	179.6	0	0	0	0	0	114.4	G78 I271 E272	G78-G274 CarbonylContact O-C 3.57Å; G78-G274 WeakPolarHBondContact O-CA 3.28Å; I271-G274 WeakPolarHBondContact O-CA 3.37Å; I271-G274 PolarHBondContact O-N 2.7Å; E272-G274 PolarHBondContact O-N 3.4Å
275	L	90.4	Very high	94.4	Very high	33 Å²	33	34.8 Å²	34.8	17%	0.173	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-81.5	146.2	177.5	-59.1	179	0	0	0	109.7	T241 P244 Y247 L270 K273	T241-L275 HydrophobicContact CG2-CD1 4.21Å; P244-L275 HydrophobicContact CG-CB 4.15Å; P244-L275 HydrophobicContact CG-CD1 4.46Å; P244-L275 HydrophobicContact CG-CD2 4.34Å; Y247-L275 HydrophobicContact CD2-CD1 4.17Å; Y247-L275 HydrophobicContact CE2-CD1 3.89Å; L270-L275 HydrophobicContact CD2-CB 3.86Å; L270-L275 VanDerWaalsContact CD2-O 3.23Å; L270-L275 WeakPolarHBondContact CD2-O 3.47Å; L270-L275 HydrophobicContact CG-CB 3.94Å; L270-L275 WeakPolarHBondContact O-CB 3.01Å; L270-L275 PolarHBondContact O-N 2.96Å; L270-L275 VanDerWaalsContact O-N 3.15Å; K273-L275 VanDerWaalsContact C-N 3.25Å; K273-L275 HydrophobicContact CB-CD1 4.28Å; K273-L275 HydrophobicContact CB-CG 4.08Å; K273-L275 PolarHBondContact O-N 3.44Å
276	S	89.9	Confident	94.3	Very high	12 Å²	12	32.2 Å²	32.2	8%	0.084	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-90.3	125.8	171	178	0	0	0	0	108.8	P244	P244-S276 WeakPolarHBondContact CB-O 3.33Å
277	P	94.7	Very high	93.9	Very high	5 Å²	5	34 Å²	34	3%	0.032	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-57.7	153.2	170.4	-19.2	28.7	0	0	0	111.4	Y267 L270 I271 T281 W282 Y316	Y267-P277 HydrophobicContact CD2-CG 4.48Å; Y267-P277 HydrophobicContact CE2-CB 4.13Å; Y267-P277 HydrophobicContact CE2-CG 3.62Å; L270-P277 HydrophobicContact CD1-CB 4.47Å; L270-P277 HydrophobicContact CD2-CB 4.34Å; L270-P277 HydrophobicContact CD2-CG 3.64Å; I271-P277 HydrophobicContact CD1-CG 3.65Å; P277-T281 HydrophobicContact CB-CG2 4.44Å; P277-W282 HydrophobicContact CB-CZ2 3.95Å; P277-W282 HydrophobicContact CG-CZ2 4.05Å; P277-Y316 HydrophobicContact CG-CE1 4.34Å
278	H	93.9	Very high	93.1	Very high	62 Å²	62	33.8 Å²	33.8	29%	0.287	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-84.3	160	170.2	-81.9	-76.4	0	0	0	111	E280 T281 W282	H278-E280 WeakPolarHBondContact CB-OE2 3.47Å; H278-E280 PolarHBondContact O-N 3.39Å; H278-T281 VanDerWaalsContact O-CB 3.29Å; H278-T281 WeakPolarHBondContact O-CB 3.5Å; H278-T281 PolarHBondContact O-N 3.27Å; H278-W282 PolarHBondContact O-N 3.37Å
279	Q	93.7	Very high	91.9	Very high	33 Å²	33	31.7 Å²	31.7	15%	0.154	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-38.5	179.9	-64.9	-75.2	-18.8	0	0	111.1	T281 W282 D283 Y323 Q325 V328	Q279-T281 VanDerWaalsContact C-N 3.27Å; Q279-T281 PolarHBondContact O-N 2.69Å; Q279-W282 PolarHBondContact O-N 2.63Å; Q279-D283 WeakPolarHBondContact O-CB 3.42Å; Q279-D283 PolarHBondContact O-N 3.02Å; Q279-Y323 PolarHBondContact NE2-O 3.06Å; Q279-Q325 HydrophobicContact CG-CG 3.91Å; Q279-V328 HydrophobicContact CB-CG2 3.99Å; Q279-V328 VanDerWaalsContact O-CG2 3.31Å; Q279-V328 WeakPolarHBondContact O-CG2 3.36Å
280	E	94.1	Very high	90.4	Very high	105 Å²	105	33.2 Å²	33.2	49%	0.491	17%	0.17	S	C	.	.	H	α-helix	trans	-63.7	-31.2	176.6	-59.5	91	152.9	0	0	112.7	H278 A284	H278-E280 WeakPolarHBondContact CB-OE2 3.47Å; H278-E280 PolarHBondContact O-N 3.39Å; E280-A284 WeakPolarHBondContact O-CB 3.49Å; E280-A284 PolarHBondContact O-N 3.48Å
281	T	96.6	Very high	88.7	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-44.8	175.4	-49.9	0	0	0	0	110.8	G248 I251 Y267 P277 H278 Q279 A284 L285	G248-T281 VanDerWaalsContact CA-OG1 3.25Å; G248-T281 WeakPolarHBondContact CA-OG1 3.3Å; I251-T281 HydrophobicContact CB-CG2 4.27Å; I251-T281 HydrophobicContact CD1-CG2 3.82Å; I251-T281 HydrophobicContact CG2-CG2 3.95Å; Y267-T281 HydrophobicContact CD2-CG2 4.39Å; P277-T281 HydrophobicContact CB-CG2 4.44Å; H278-T281 VanDerWaalsContact O-CB 3.29Å; H278-T281 WeakPolarHBondContact O-CB 3.5Å; H278-T281 PolarHBondContact O-N 3.27Å; Q279-T281 VanDerWaalsContact C-N 3.27Å; Q279-T281 PolarHBondContact O-N 2.69Å; T281-A284 PolarHBondContact O-N 2.81Å; T281-L285 HydrophobicContact CG2-CD1 4.43Å; T281-L285 WeakPolarHBondContact O-CG 3.5Å; T281-L285 PolarHBondContact O-N 2.98Å; T281-L285 VanDerWaalsContact O-N 3.13Å
282	W	96.4	Very high	86.9	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-43.9	175.6	-63	-40.9	0	0	0	111.7	Y267 P277 H278 Q279 A284 L285 F286 V313 Y316 M317 L322 V328	Y267-W282 AromaticContact CE2-NE1 3.92Å; Y267-W282 PolarHBondContact OH-NE1 3.15Å; P277-W282 HydrophobicContact CB-CZ2 3.95Å; P277-W282 HydrophobicContact CG-CZ2 4.05Å; H278-W282 PolarHBondContact O-N 3.37Å; Q279-W282 PolarHBondContact O-N 2.63Å; W282-A284 VanDerWaalsContact C-N 3.27Å; W282-A284 PolarHBondContact O-N 3.32Å; W282-L285 PolarHBondContact O-N 3.29Å; W282-L285 VanDerWaalsContact O-N 3.17Å; W282-F286 VanDerWaalsContact O-CD2 3.29Å; W282-F286 WeakPolarHBondContact O-CD2 3.22Å; W282-F286 PolarHBondContact O-N 3.29Å; W282-V313 VanDerWaalsContact CD1-CG1 3.41Å; W282-V313 HydrophobicContact CG-CG1 4.1Å; W282-Y316 HydrophobicContact CZ2-CD1 4.26Å; W282-Y316 HydrophobicContact CZ2-CE1 4.08Å; W282-M317 HydrophobicContact CB-CE 4.17Å; W282-M317 HydrophobicContact CD2-CE 3.36Å; W282-M317 HydrophobicContact CE3-CE 3.4Å; W282-M317 HydrophobicContact CG-CE 3.73Å; W282-M317 HydrophobicContact CH2-CE 4.37Å; W282-M317 HydrophobicContact CZ2-CE 4.34Å; W282-M317 HydrophobicContact CZ2-CG 4.45Å; W282-M317 HydrophobicContact CZ3-CE 3.92Å; W282-L322 HydrophobicContact CH2-CB 3.9Å; W282-L322 HydrophobicContact CH2-CD1 3.71Å; W282-L322 HydrophobicContact CH2-CG 4.33Å; W282-L322 HydrophobicContact CZ2-CD1 3.93Å; W282-V328 HydrophobicContact CB-CG1 4.02Å
283	D	95.8	Very high	85.1	Confident	17 Å²	17	34 Å²	34	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-52.2	-47.1	175.5	-166.7	49.2	0	0	0	111.6	Q279 T287 K327 V328 T331	Q279-D283 WeakPolarHBondContact O-CB 3.42Å; Q279-D283 PolarHBondContact O-N 3.02Å; D283-T287 VanDerWaalsContact O-CB 3.29Å; D283-T287 WeakPolarHBondContact O-CB 3.46Å; D283-T287 PolarHBondContact O-N 3.29Å; D283-T287 PolarHBondContact O-OG1 3.49Å; D283-K327 WeakPolarHBondContact OD2-CE 3.24Å; D283-K327 IonicContact OD2-NZ 2.67Å; D283-K327 PolarHBondContact OD2-NZ 3.26Å; D283-V328 HydrophobicContact CB-CG2 4.14Å; D283-T331 WeakPolarHBondContact OD1-CB 3.49Å; D283-T331 PolarHBondContact OD1-OG1 2.98Å
284	A	95	Very high	83.2	Confident	17 Å²	17	39.4 Å²	39.4	14%	0.14	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-47.2	177.7	0	0	0	0	0	112.4	A252 E280 T281 W282 F286 T287 G288	A252-A284 HydrophobicContact CB-CB 3.74Å; E280-A284 WeakPolarHBondContact O-CB 3.49Å; E280-A284 PolarHBondContact O-N 3.48Å; T281-A284 PolarHBondContact O-N 2.81Å; W282-A284 VanDerWaalsContact C-N 3.27Å; W282-A284 PolarHBondContact O-N 3.32Å; A284-F286 PolarHBondContact O-N 2.99Å; A284-T287 PolarHBondContact O-N 3.39Å; A284-G288 PolarHBondContact O-N 3Å
285	L	95.4	Very high	81.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-45.6	-179.9	-71.1	169	0	0	0	112.3	I251 I255 W264 Y267 T281 W282 L310	I251-L285 HydrophobicContact CG2-CD2 3.87Å; I251-L285 HydrophobicContact CG2-CG 4.13Å; I255-L285 HydrophobicContact CD1-CD2 4.08Å; I255-L285 HydrophobicContact CG1-CD2 4.15Å; W264-L285 HydrophobicContact CD2-CD2 4.28Å; W264-L285 HydrophobicContact CE3-CD2 4.25Å; W264-L285 HydrophobicContact CH2-CB 4.44Å; W264-L285 HydrophobicContact CH2-CD1 4.15Å; W264-L285 HydrophobicContact CH2-CD2 4.12Å; W264-L285 HydrophobicContact CH2-CG 4.48Å; W264-L285 HydrophobicContact CZ2-CD2 4.08Å; W264-L285 HydrophobicContact CZ3-CD1 3.99Å; W264-L285 HydrophobicContact CZ3-CD2 4.19Å; Y267-L285 HydrophobicContact CD2-CD1 3.57Å; Y267-L285 HydrophobicContact CE2-CD1 3.78Å; Y267-L285 HydrophobicContact CG-CD1 4.2Å; T281-L285 HydrophobicContact CG2-CD1 4.43Å; T281-L285 WeakPolarHBondContact O-CG 3.5Å; T281-L285 PolarHBondContact O-N 2.98Å; T281-L285 VanDerWaalsContact O-N 3.13Å; W282-L285 PolarHBondContact O-N 3.29Å; W282-L285 VanDerWaalsContact O-N 3.17Å; L285-L310 HydrophobicContact CB-CD2 4.1Å
286	F	94.1	Very high	79.4	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-70.4	-33.2	177.9	-78.2	-81.6	0	0	0	112.4	W282 A284 L310 V313 L314 T331 I332 W335	W282-F286 VanDerWaalsContact O-CD2 3.29Å; W282-F286 WeakPolarHBondContact O-CD2 3.22Å; W282-F286 PolarHBondContact O-N 3.29Å; A284-F286 PolarHBondContact O-N 2.99Å; F286-L310 HydrophobicContact CD1-CB 4.36Å; F286-L310 HydrophobicContact CD1-CD1 3.96Å; F286-L310 HydrophobicContact CD1-CD2 3.74Å; F286-L310 HydrophobicContact CD1-CG 4.25Å; F286-L310 HydrophobicContact CD2-CD2 4.12Å; F286-L310 HydrophobicContact CE1-CB 3.81Å; F286-L310 HydrophobicContact CE1-CD1 4.24Å; F286-L310 HydrophobicContact CE1-CD2 3.82Å; F286-L310 HydrophobicContact CE1-CG 4.18Å; F286-L310 HydrophobicContact CE2-CD2 4.18Å; F286-L310 HydrophobicContact CG-CD2 3.88Å; F286-L310 HydrophobicContact CZ-CB 4.24Å; F286-L310 HydrophobicContact CZ-CD2 4.02Å; F286-V313 HydrophobicContact CE2-CB 4.28Å; F286-V313 HydrophobicContact CE2-CG1 3.88Å; F286-V313 HydrophobicContact CZ-CB 4.29Å; F286-V313 HydrophobicContact CZ-CG1 4.31Å; F286-L314 HydrophobicContact CE1-CD2 4.49Å; F286-L314 HydrophobicContact CZ-CD2 3.76Å; F286-L314 HydrophobicContact CZ-CG 4.17Å; F286-T331 HydrophobicContact CB-CG2 3.61Å; F286-I332 HydrophobicContact CD1-CG1 3.95Å; F286-I332 HydrophobicContact CD2-CG1 3.85Å; F286-I332 HydrophobicContact CE1-CG1 3.91Å; F286-I332 HydrophobicContact CE2-CD1 4.16Å; F286-I332 HydrophobicContact CE2-CG1 3.82Å; F286-I332 HydrophobicContact CG-CG1 3.95Å; F286-I332 HydrophobicContact CZ-CD1 4.31Å; F286-I332 HydrophobicContact CZ-CG1 3.86Å; F286-W335 HydrophobicContact CD1-CB 4.18Å; F286-W335 AromaticContact CD1-CD2 3.79Å; F286-W335 HydrophobicContact CD1-CD2 3.79Å; F286-W335 AromaticContact CD1-CE3 3.67Å; F286-W335 HydrophobicContact CD1-CE3 3.67Å; F286-W335 HydrophobicContact CD1-CG 4.01Å; F286-W335 HydrophobicContact CD1-CZ3 4.31Å; F286-W335 HydrophobicContact CE1-CD2 4.01Å; F286-W335 AromaticContact CE1-CE3 3.48Å; F286-W335 HydrophobicContact CE1-CE3 3.48Å; F286-W335 VanDerWaalsContact CE1-CE3 3.48Å; F286-W335 HydrophobicContact CE1-CH2 4.35Å; F286-W335 AromaticContact CE1-CZ3 3.67Å; F286-W335 HydrophobicContact CE1-CZ3 3.67Å
287	T	89.9	Confident	77.5	Confident	49 Å²	49	59.5 Å²	59.5	30%	0.301	28%	0.282	S	S	.	.	H	α-helix	trans	-68.6	-42.6	177.1	-58.9	0	0	0	0	111.8	D283 A284 V289 K290 E291 T331	D283-T287 VanDerWaalsContact O-CB 3.29Å; D283-T287 WeakPolarHBondContact O-CB 3.46Å; D283-T287 PolarHBondContact O-N 3.29Å; D283-T287 PolarHBondContact O-OG1 3.49Å; A284-T287 PolarHBondContact O-N 3.39Å; T287-V289 VanDerWaalsContact C-N 3.31Å; T287-V289 PolarHBondContact O-N 3.44Å; T287-K290 WeakPolarHBondContact O-CB 3.35Å; T287-K290 PolarHBondContact O-N 3.49Å; T287-E291 PolarHBondContact O-N 3.47Å; T287-T331 VanDerWaalsContact OG1-CG2 3.26Å; T287-T331 WeakPolarHBondContact OG1-CG2 3.22Å
288	G	80.8	Confident	74.9	Confident	9 Å²	9	68.4 Å²	68.4	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-39.6	-175.6	0	0	0	0	0	115	A284 E291 G292	A284-G288 PolarHBondContact O-N 3Å; G288-E291 PolarHBondContact O-N 2.98Å; G288-G292 PolarHBondContact O-N 3.25Å
289	V	72.4	Confident	73	Confident	12 Å²	12	67.6 Å²	67.6	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-38.2	-179	177.8	0	0	0	0	111.5	T287 E291 G292 E293 Q306 L310	T287-V289 VanDerWaalsContact C-N 3.31Å; T287-V289 PolarHBondContact O-N 3.44Å; V289-E291 VanDerWaalsContact C-N 3.28Å; V289-E291 PolarHBondContact O-N 3.31Å; V289-G292 PolarHBondContact O-N 3.36Å; V289-E293 PolarHBondContact O-N 3.19Å; V289-Q306 HydrophobicContact CG2-CB 4.06Å; V289-L310 HydrophobicContact CB-CD1 3.98Å; V289-L310 HydrophobicContact CG1-CD1 4.33Å; V289-L310 HydrophobicContact CG2-CD1 3.57Å; V289-L310 HydrophobicContact CG2-CG 4.38Å
290	K	65.8	Low	71.4	Confident	76 Å²	76	70.8 Å²	70.8	33%	0.33	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-35.6	178.4	-173.7	-176.3	179.9	-178.1	0	112.7	T287	T287-K290 WeakPolarHBondContact O-CB 3.35Å; T287-K290 PolarHBondContact O-N 3.49Å
291	E	59.6	Low	70.3	Confident	84 Å²	84	67.4 Å²	67.4	39%	0.393	35%	0.351	S	S	.	.	H	α-helix	trans	-74.7	-35	177.5	-63.7	179.4	175.3	0	0	111.8	K258 T287 G288 V289 E293 R294	K258-E291 VanDerWaalsContact NZ-CB 3.27Å; K258-E291 IonicContact NZ-OE2 2.76Å; K258-E291 PolarHBondContact NZ-OE2 3.44Å; T287-E291 PolarHBondContact O-N 3.47Å; G288-E291 PolarHBondContact O-N 2.98Å; V289-E291 VanDerWaalsContact C-N 3.28Å; V289-E291 PolarHBondContact O-N 3.31Å; E291-E293 PolarHBondContact O-N 3.34Å; E291-R294 PolarHBondContact O-N 3.02Å
292	G	55.9	Low	69.5	Low	26 Å²	26	71.5 Å²	71.5	27%	0.268	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-35.7	175.4	0	0	0	0	0	113.4	G288 V289 R294 E295	G288-G292 PolarHBondContact O-N 3.25Å; V289-G292 PolarHBondContact O-N 3.36Å; G292-R294 PolarHBondContact O-N 3.11Å; G292-E295 CarbonylContact O-C 3.59Å; G292-E295 PolarHBondContact O-N 3.37Å; G292-E295 VanDerWaalsContact O-N 3.08Å
293	E	54.2	Low	68.6	Low	60 Å²	60	77.2 Å²	77.2	28%	0.28	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.2	177.5	-72	176.7	166.3	0	0	113.9	V289 E291 S338	V289-E293 PolarHBondContact O-N 3.19Å; E291-E293 PolarHBondContact O-N 3.34Å; E293-S338 WeakPolarHBondContact OE2-CB 3.31Å; E293-S338 PolarHBondContact OE2-OG 3.08Å
294	R	51.2	Low	68	Low	205 Å²	205	80 Å²	80	77%	0.774	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-20.1	179.1	-65.4	-179.7	178.5	-176.7	-3.3	113.4	E291 G292	E291-R294 PolarHBondContact O-N 3.02Å; G292-R294 PolarHBondContact O-N 3.11Å
295	E	50.3	Low	67.6	Low	102 Å²	102	82 Å²	82	48%	0.477	43%	0.433	S	S	.	.	S	Bend	trans	-116.7	110.7	-175.5	-70.8	173.5	168.4	0	0	107.8	G292 E297	G292-E295 CarbonylContact O-C 3.59Å; G292-E295 PolarHBondContact O-N 3.37Å; G292-E295 VanDerWaalsContact O-N 3.08Å; E295-E297 PolarHBondContact O-N 3.01Å
296	K	48.7	Very low	67.1	Low	217 Å²	217	83.2 Å²	83.2	94%	0.943	44%	0.439	S	S	*	.			trans	-69.2	46.8	176.4	-71.7	-176.4	175.8	178.5	0	112.1
297	E	48.2	Very low	66.9	Low	164 Å²	164	84.9 Å²	84.9	77%	0.766	45%	0.447	S	S	*	.			trans	-106.5	131.4	-175.3	-75.6	-165.7	162.8	0	0	112.2	E295 G299	E295-E297 PolarHBondContact O-N 3.01Å; E297-G299 VanDerWaalsContact C-N 3.29Å; E297-G299 PolarHBondContact O-N 3.3Å
298	M	41.7	Very low	67	Low	192 Å²	192	88.4 Å²	88.4	95%	0.946	46%	0.46	S	S	*	.			trans	-74.7	77.6	-169.5	-146.8	165.1	-59.3	0	0	109.6
299	G	52.7	Low	67.6	Low	44 Å²	44	91 Å²	91	45%	0.454	47%	0.467	S	S	.	.			trans	-65.5	148	159.4	0	0	0	0	0	110.1	E297 M301	E297-G299 VanDerWaalsContact C-N 3.29Å; E297-G299 PolarHBondContact O-N 3.3Å; G299-M301 PolarHBondContact O-N 3.42Å
300	A	59.8	Low	68.7	Low	100 Å²	100	90.4 Å²	90.4	83%	0.826	46%	0.463	S	S	*	.	S	Bend	trans	-60.4	-10.8	179.8	0	0	0	0	0	114.4
301	M	72.6	Confident	70.1	Confident	35 Å²	35	88.9 Å²	88.9	17%	0.172	46%	0.459	C	S	.	.	S	Bend	trans	-118.7	117	-179	-166	171.1	-165.5	0	0	110.7	A260 W264 G299 V305 Q306 R309	A260-M301 HydrophobicContact CB-CB 4.42Å; A260-M301 HydrophobicContact CB-SD 4.43Å; W264-M301 HydrophobicContact CB-CE 4.27Å; W264-M301 HydrophobicContact CB-SD 4.37Å; W264-M301 HydrophobicContact CG-CE 4.05Å; W264-M301 HydrophobicContact CG-SD 4.11Å; G299-M301 PolarHBondContact O-N 3.42Å; M301-V305 HydrophobicContact CE-CB 4.34Å; M301-V305 HydrophobicContact CE-CG1 3.42Å; M301-V305 VanDerWaalsContact CE-CG1 3.42Å; M301-V305 HydrophobicContact CG-CB 4.29Å; M301-V305 HydrophobicContact CG-CG1 4.24Å; M301-Q306 HydrophobicContact CG-CG 3.99Å; M301-Q306 PolarHBondContact O-NE2 3.43Å; M301-Q306 HydrophobicContact SD-CG 4.11Å; M301-R309 HydrophobicContact CE-CG 3.89Å
302	T	78.9	Confident	71.8	Confident	88 Å²	88	86.6 Å²	86.6	54%	0.54	46%	0.457	S	S	.	.			trans	-63.6	151.5	-177.6	70.2	0	0	0	0	112.4	S304 V305 Q306	T302-S304 VanDerWaalsContact C-N 3.26Å; T302-S304 PolarHBondContact O-N 3.44Å; T302-V305 PolarHBondContact O-N 2.98Å; T302-V305 VanDerWaalsContact O-N 3.12Å; T302-V305 VanDerWaalsContact OG1-CG2 3.3Å; T302-V305 WeakPolarHBondContact OG1-CG2 3.46Å; T302-Q306 PolarHBondContact O-N 3.29Å; T302-Q306 VanDerWaalsContact O-N 3.15Å
303	E	77.6	Confident	73.7	Confident	123 Å²	123	85.4 Å²	85.4	58%	0.575	45%	0.445	S	S	*	.	H	α-helix	trans	-54.9	-40.3	177.4	-67.3	176.3	175.8	0	0	112.5	V305 Q306 H307	E303-V305 VanDerWaalsContact C-N 3.31Å; E303-V305 PolarHBondContact O-N 3.49Å; E303-Q306 PolarHBondContact O-N 2.91Å; E303-H307 WeakPolarHBondContact O-CB 2.98Å; E303-H307 PolarHBondContact O-N 3.41Å
304	S	82.4	Confident	75.7	Confident	76 Å²	76	82.5 Å²	82.5	53%	0.531	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-41	178.5	-170.5	0	0	0	0	112.2	T302 H307 E308	T302-S304 VanDerWaalsContact C-N 3.26Å; T302-S304 PolarHBondContact O-N 3.44Å; S304-H307 PolarHBondContact O-N 3.45Å; S304-E308 WeakPolarHBondContact O-CG 3.5Å; S304-E308 PolarHBondContact O-N 3.34Å; S304-E308 VanDerWaalsContact O-N 3.11Å
305	V	87.3	Confident	77.8	Confident	58 Å²	58	75.7 Å²	75.7	35%	0.352	41%	0.413	S	S	.	.	H	α-helix	trans	-70.8	-40.4	178.7	-178.2	0	0	0	0	109.9	M301 T302 E303 H307 E308 R309	M301-V305 HydrophobicContact CE-CB 4.34Å; M301-V305 HydrophobicContact CE-CG1 3.42Å; M301-V305 VanDerWaalsContact CE-CG1 3.42Å; M301-V305 HydrophobicContact CG-CB 4.29Å; M301-V305 HydrophobicContact CG-CG1 4.24Å; T302-V305 PolarHBondContact O-N 2.98Å; T302-V305 VanDerWaalsContact O-N 3.12Å; T302-V305 VanDerWaalsContact OG1-CG2 3.3Å; T302-V305 WeakPolarHBondContact OG1-CG2 3.46Å; E303-V305 VanDerWaalsContact C-N 3.31Å; E303-V305 PolarHBondContact O-N 3.49Å; V305-H307 VanDerWaalsContact C-N 3.3Å; V305-H307 PolarHBondContact O-N 3.48Å; V305-E308 PolarHBondContact O-N 3.35Å; V305-R309 HydrophobicContact CG1-CG 4.38Å; V305-R309 WeakPolarHBondContact O-CG 3.47Å; V305-R309 PolarHBondContact O-N 2.89Å
306	Q	86.1	Confident	79.7	Confident	26 Å²	26	72.1 Å²	72.1	12%	0.121	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-38.6	175.8	-63.6	-168.3	53	0	0	112	V289 M301 T302 E303 R309 L310	V289-Q306 HydrophobicContact CG2-CB 4.06Å; M301-Q306 HydrophobicContact CG-CG 3.99Å; M301-Q306 PolarHBondContact O-NE2 3.43Å; M301-Q306 HydrophobicContact SD-CG 4.11Å; T302-Q306 PolarHBondContact O-N 3.29Å; T302-Q306 VanDerWaalsContact O-N 3.15Å; E303-Q306 PolarHBondContact O-N 2.91Å; Q306-R309 PolarHBondContact O-N 2.9Å; Q306-L310 WeakPolarHBondContact O-CG 3.33Å; Q306-L310 PolarHBondContact O-N 3.33Å
307	H	88.6	Confident	81.8	Confident	37 Å²	37	61.8 Å²	61.8	17%	0.171	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-49.7	174	177.8	78.7	0	0	0	111.8	E303 S304 V305 R309 L310 L311 W335	E303-H307 WeakPolarHBondContact O-CB 2.98Å; E303-H307 PolarHBondContact O-N 3.41Å; S304-H307 PolarHBondContact O-N 3.45Å; V305-H307 VanDerWaalsContact C-N 3.3Å; V305-H307 PolarHBondContact O-N 3.48Å; H307-R309 VanDerWaalsContact C-N 3.29Å; H307-R309 PolarHBondContact O-N 3.27Å; H307-L310 PolarHBondContact O-N 2.93Å; H307-L311 PolarHBondContact O-N 3.42Å; H307-W335 AromaticContact CE1-CZ2 3.88Å; H307-W335 AromaticContact ND1-CH2 3.99Å; H307-W335 AromaticContact ND1-CZ2 3.35Å; H307-W335 WeakPolarHBondContact ND1-CZ2 3.34Å
308	E	91.3	Very high	83.9	Confident	123 Å²	123	56.6 Å²	56.6	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-60.1	-38.8	176.4	-72.9	178.2	-179.4	0	0	112.4	S304 V305 L311 G312	S304-E308 WeakPolarHBondContact O-CG 3.5Å; S304-E308 PolarHBondContact O-N 3.34Å; S304-E308 VanDerWaalsContact O-N 3.11Å; V305-E308 PolarHBondContact O-N 3.35Å; E308-L311 PolarHBondContact O-N 3.08Å; E308-G312 PolarHBondContact O-N 2.69Å
309	R	94.4	Very high	86	Confident	62 Å²	62	49.5 Å²	49.5	23%	0.234	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-42.2	177.6	-65.3	-82.1	-71.5	170.1	0.9	111.8	W264 D268 M301 V305 Q306 H307 G312 V313	W264-R309 HydrophobicContact CD2-CB 4.03Å; W264-R309 HydrophobicContact CD2-CG 4.31Å; W264-R309 HydrophobicContact CE3-CB 4.08Å; W264-R309 VanDerWaalsContact CE3-NE 3.34Å; W264-R309 HydrophobicContact CH2-CB 3.54Å; W264-R309 HydrophobicContact CZ2-CB 3.5Å; W264-R309 VanDerWaalsContact CZ2-CB 3.5Å; W264-R309 HydrophobicContact CZ3-CB 3.84Å; W264-R309 PolarHBondContact O-NH2 3.33Å; D268-R309 VanDerWaalsContact CG-NH1 3.26Å; D268-R309 IonicContact OD1-CZ 3.24Å; D268-R309 IonicContact OD1-NH1 2.83Å; D268-R309 PolarHBondContact OD1-NH1 2.8Å; D268-R309 IonicContact OD1-NH2 2.8Å; D268-R309 PolarHBondContact OD1-NH2 3.16Å; D268-R309 IonicContact OD2-CZ 3.93Å; D268-R309 IonicContact OD2-NH1 3.89Å; D268-R309 PolarHBondContact OD2-NH1 2.88Å; D268-R309 IonicContact OD2-NH2 3.4Å; D268-R309 PolarHBondContact OD2-NH2 3.14Å; M301-R309 HydrophobicContact CE-CG 3.89Å; V305-R309 HydrophobicContact CG1-CG 4.38Å; V305-R309 WeakPolarHBondContact O-CG 3.47Å; V305-R309 PolarHBondContact O-N 2.89Å; Q306-R309 PolarHBondContact O-N 2.9Å; H307-R309 VanDerWaalsContact C-N 3.29Å; H307-R309 PolarHBondContact O-N 3.27Å; R309-G312 CarbonylContact O-C 3.41Å; R309-G312 VanDerWaalsContact O-CA 3.31Å; R309-G312 WeakPolarHBondContact O-CA 3.45Å; R309-G312 PolarHBondContact O-N 3.29Å; R309-G312 VanDerWaalsContact O-N 3.08Å; R309-V313 PolarHBondContact O-N 2.9Å
310	L	95.1	Very high	87.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-39.5	175.5	-72.2	178.3	0	0	0	112.4	W264 L285 F286 V289 Q306 H307 G312 V313 L314 W335	W264-L310 HydrophobicContact CH2-CD2 3.87Å; W264-L310 HydrophobicContact CH2-CG 4.3Å; W264-L310 HydrophobicContact CZ2-CD2 3.95Å; W264-L310 HydrophobicContact CZ2-CG 4.13Å; L285-L310 HydrophobicContact CB-CD2 4.1Å; F286-L310 HydrophobicContact CD1-CB 4.36Å; F286-L310 HydrophobicContact CD1-CD1 3.96Å; F286-L310 HydrophobicContact CD1-CD2 3.74Å; F286-L310 HydrophobicContact CD1-CG 4.25Å; F286-L310 HydrophobicContact CD2-CD2 4.12Å; F286-L310 HydrophobicContact CE1-CB 3.81Å; F286-L310 HydrophobicContact CE1-CD1 4.24Å; F286-L310 HydrophobicContact CE1-CD2 3.82Å; F286-L310 HydrophobicContact CE1-CG 4.18Å; F286-L310 HydrophobicContact CE2-CD2 4.18Å; F286-L310 HydrophobicContact CG-CD2 3.88Å; F286-L310 HydrophobicContact CZ-CB 4.24Å; F286-L310 HydrophobicContact CZ-CD2 4.02Å; V289-L310 HydrophobicContact CB-CD1 3.98Å; V289-L310 HydrophobicContact CG1-CD1 4.33Å; V289-L310 HydrophobicContact CG2-CD1 3.57Å; V289-L310 HydrophobicContact CG2-CG 4.38Å; Q306-L310 WeakPolarHBondContact O-CG 3.33Å; Q306-L310 PolarHBondContact O-N 3.33Å; H307-L310 PolarHBondContact O-N 2.93Å; L310-G312 VanDerWaalsContact C-N 3.26Å; L310-G312 PolarHBondContact O-N 3.12Å; L310-V313 WeakPolarHBondContact O-CB 3.49Å; L310-V313 PolarHBondContact O-N 3.46Å; L310-V313 VanDerWaalsContact O-N 3.09Å; L310-L314 PolarHBondContact O-N 3.25Å; L310-W335 HydrophobicContact CB-CH2 3.71Å; L310-W335 HydrophobicContact CB-CZ2 3.6Å; L310-W335 HydrophobicContact CB-CZ3 4.36Å; L310-W335 HydrophobicContact CD1-CD2 3.98Å; L310-W335 HydrophobicContact CD1-CG 4.27Å; L310-W335 HydrophobicContact CD1-CH2 4.42Å; L310-W335 HydrophobicContact CD1-CZ2 3.62Å; L310-W335 VanDerWaalsContact CD1-NE1 3.35Å; L310-W335 HydrophobicContact CG-CZ2 4.28Å
311	L	95	Very high	88.7	Confident	44 Å²	44	44.2 Å²	44.2	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-39	169.4	-64.9	179.2	0	0	0	111.2	H307 E308 V313 L314 V315 W335 F336 W567	H307-L311 PolarHBondContact O-N 3.42Å; E308-L311 PolarHBondContact O-N 3.08Å; L311-V313 VanDerWaalsContact C-N 3.27Å; L311-V313 PolarHBondContact O-N 2.93Å; L311-L314 HydrophobicContact CD2-CD1 4.38Å; L311-L314 WeakPolarHBondContact O-CB 3.41Å; L311-L314 PolarHBondContact O-N 3.14Å; L311-L314 VanDerWaalsContact O-N 3.09Å; L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 2.9Å; L311-W335 HydrophobicContact CD2-CH2 3.79Å; L311-W335 HydrophobicContact CD2-CZ3 4.29Å; L311-W335 HydrophobicContact CG-CH2 4.16Å; L311-F336 HydrophobicContact CD2-CZ 4.25Å; L311-W567 HydrophobicContact CD2-CZ2 3.91Å
312	G	95.4	Very high	89.5	Confident	36 Å²	36	43.1 Å²	43.1	37%	0.371	23%	0.231	S	C	.	.	H	α-helix	trans	-57.2	-36.3	171.5	0	0	0	0	0	113.5	E308 R309 L310 V315 Y316	E308-G312 PolarHBondContact O-N 2.69Å; R309-G312 CarbonylContact O-C 3.41Å; R309-G312 VanDerWaalsContact O-CA 3.31Å; R309-G312 WeakPolarHBondContact O-CA 3.45Å; R309-G312 PolarHBondContact O-N 3.29Å; R309-G312 VanDerWaalsContact O-N 3.08Å; L310-G312 VanDerWaalsContact C-N 3.26Å; L310-G312 PolarHBondContact O-N 3.12Å; G312-V315 PolarHBondContact O-N 2.84Å; G312-Y316 WeakPolarHBondContact O-CB 3.25Å; G312-Y316 PolarHBondContact O-N 2.96Å
313	V	96.7	Very high	90.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-42.8	172.9	177.2	0	0	0	0	111.2	W264 Y267 W282 F286 R309 L310 L311 V315 Y316 M317	W264-V313 HydrophobicContact CH2-CG2 3.94Å; W264-V313 HydrophobicContact CZ3-CG2 4Å; Y267-V313 HydrophobicContact CE1-CG2 4.24Å; W282-V313 VanDerWaalsContact CD1-CG1 3.41Å; W282-V313 HydrophobicContact CG-CG1 4.1Å; F286-V313 HydrophobicContact CE2-CB 4.28Å; F286-V313 HydrophobicContact CE2-CG1 3.88Å; F286-V313 HydrophobicContact CZ-CB 4.29Å; F286-V313 HydrophobicContact CZ-CG1 4.31Å; R309-V313 PolarHBondContact O-N 2.9Å; L310-V313 WeakPolarHBondContact O-CB 3.49Å; L310-V313 PolarHBondContact O-N 3.46Å; L310-V313 VanDerWaalsContact O-N 3.09Å; L311-V313 VanDerWaalsContact C-N 3.27Å; L311-V313 PolarHBondContact O-N 2.93Å; V313-V315 VanDerWaalsContact C-N 3.34Å; V313-V315 PolarHBondContact O-N 3.41Å; V313-Y316 WeakPolarHBondContact O-CB 3.29Å; V313-Y316 PolarHBondContact O-N 3Å; V313-M317 HydrophobicContact CG1-CE 4Å; V313-M317 WeakPolarHBondContact O-CG 3.33Å; V313-M317 PolarHBondContact O-N 2.79Å
314	L	96.7	Very high	91	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-38.5	177	-57.3	-177.5	0	0	0	112	F286 L310 L311 Y316 M317 R318 I332 W335 F336 V560 W567 L569	F286-L314 HydrophobicContact CE1-CD2 4.49Å; F286-L314 HydrophobicContact CZ-CD2 3.76Å; F286-L314 HydrophobicContact CZ-CG 4.17Å; L310-L314 PolarHBondContact O-N 3.25Å; L311-L314 HydrophobicContact CD2-CD1 4.38Å; L311-L314 WeakPolarHBondContact O-CB 3.41Å; L311-L314 PolarHBondContact O-N 3.14Å; L311-L314 VanDerWaalsContact O-N 3.09Å; L314-Y316 VanDerWaalsContact C-N 3.34Å; L314-M317 HydrophobicContact CD2-SD 4.14Å; L314-M317 WeakPolarHBondContact O-CB 3.27Å; L314-M317 PolarHBondContact O-N 3.28Å; L314-R318 PolarHBondContact O-N 3.03Å; L314-I332 HydrophobicContact CD2-CD1 3.95Å; L314-I332 HydrophobicContact CD2-CG2 4.48Å; L314-W335 HydrophobicContact CD1-CZ3 4.45Å; L314-F336 HydrophobicContact CD1-CE2 3.78Å; L314-F336 HydrophobicContact CD1-CZ 3.85Å; L314-V560 HydrophobicContact CB-CG1 4.42Å; L314-W567 HydrophobicContact CB-CE3 4.22Å; L314-W567 HydrophobicContact CB-CH2 3.82Å; L314-W567 HydrophobicContact CB-CZ3 3.48Å; L314-W567 VanDerWaalsContact CB-CZ3 3.48Å; L314-W567 HydrophobicContact CD1-CD2 4.15Å; L314-W567 HydrophobicContact CD1-CE3 3.86Å; L314-W567 HydrophobicContact CD1-CH2 4.13Å; L314-W567 HydrophobicContact CD1-CZ2 4.4Å; L314-W567 HydrophobicContact CD1-CZ3 3.86Å; L314-W567 HydrophobicContact CG-CZ3 4.33Å; L314-L569 HydrophobicContact CD2-CD2 3.79Å
315	V	93.3	Very high	91.5	Very high	62 Å²	62	35.1 Å²	35.1	38%	0.376	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-39.6	173	173.6	0	0	0	0	110.9	L311 G312 V313 R318 N319 W567	L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 2.9Å; G312-V315 PolarHBondContact O-N 2.84Å; V313-V315 VanDerWaalsContact C-N 3.34Å; V313-V315 PolarHBondContact O-N 3.41Å; V315-R318 WeakPolarHBondContact O-CB 3.31Å; V315-R318 PolarHBondContact O-N 3.05Å; V315-N319 WeakPolarHBondContact CG1-ND2 3.35Å; V315-N319 WeakPolarHBondContact O-CB 3.2Å; V315-N319 VanDerWaalsContact O-CG 3.26Å; V315-N319 PolarHBondContact O-N 3.23Å; V315-N319 PolarHBondContact O-ND2 2.74Å; V315-W567 HydrophobicContact CG2-CH2 4.34Å
316	Y	91.7	Very high	91.8	Very high	27 Å²	27	35 Å²	35	11%	0.106	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-44.6	173.5	176.4	-93.6	0	0	0	111.5	I271 P277 W282 G312 V313 L314 N319 N320 L322	I271-Y316 HydrophobicContact CD1-CD2 4.09Å; I271-Y316 HydrophobicContact CD1-CE1 4.03Å; I271-Y316 HydrophobicContact CD1-CE2 3.56Å; I271-Y316 HydrophobicContact CG2-CD2 4.4Å; I271-Y316 HydrophobicContact CG2-CE2 4.05Å; P277-Y316 HydrophobicContact CG-CE1 4.34Å; W282-Y316 HydrophobicContact CZ2-CD1 4.26Å; W282-Y316 HydrophobicContact CZ2-CE1 4.08Å; G312-Y316 WeakPolarHBondContact O-CB 3.25Å; G312-Y316 PolarHBondContact O-N 2.96Å; V313-Y316 WeakPolarHBondContact O-CB 3.29Å; V313-Y316 PolarHBondContact O-N 3Å; L314-Y316 VanDerWaalsContact C-N 3.34Å; Y316-N319 PolarHBondContact O-N 3.1Å; Y316-N320 VanDerWaalsContact CD2-ND2 3.34Å; Y316-N320 WeakPolarHBondContact CD2-ND2 3.46Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.26Å; Y316-N320 WeakPolarHBondContact O-CB 3.4Å; Y316-N320 PolarHBondContact O-N 3.23Å; Y316-N320 PolarHBondContact O-ND2 3.36Å; Y316-L322 HydrophobicContact CD1-CD1 4.13Å; Y316-L322 HydrophobicContact CE1-CD1 3.47Å; Y316-L322 VanDerWaalsContact CE1-CD1 3.47Å
317	M	93	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-47.2	174.3	-73.1	175.1	178.2	0	0	111.6	W282 V313 L314 N320 Q321 L322 V560	W282-M317 HydrophobicContact CB-CE 4.17Å; W282-M317 HydrophobicContact CD2-CE 3.36Å; W282-M317 HydrophobicContact CE3-CE 3.4Å; W282-M317 HydrophobicContact CG-CE 3.73Å; W282-M317 HydrophobicContact CH2-CE 4.37Å; W282-M317 HydrophobicContact CZ2-CE 4.34Å; W282-M317 HydrophobicContact CZ2-CG 4.45Å; W282-M317 HydrophobicContact CZ3-CE 3.92Å; V313-M317 HydrophobicContact CG1-CE 4Å; V313-M317 WeakPolarHBondContact O-CG 3.33Å; V313-M317 PolarHBondContact O-N 2.79Å; L314-M317 HydrophobicContact CD2-SD 4.14Å; L314-M317 WeakPolarHBondContact O-CB 3.27Å; L314-M317 PolarHBondContact O-N 3.28Å; M317-N320 CarbonylContact O-C 3.47Å; M317-N320 PolarHBondContact O-N 3.34Å; M317-Q321 WeakPolarHBondContact O-CA 3.49Å; M317-Q321 PolarHBondContact O-N 2.9Å; M317-L322 HydrophobicContact CB-CB 4.39Å; M317-L322 WeakPolarHBondContact CB-O 3.46Å; M317-L322 HydrophobicContact CG-CB 4.31Å; M317-L322 PolarHBondContact O-N 3.4Å; M317-V560 HydrophobicContact CB-CG2 4.12Å
318	R	91.6	Very high	92.6	Very high	54 Å²	54	38.3 Å²	38.3	20%	0.204	19%	0.187	C	C	.	.	H	α-helix	trans	-55.8	-53.6	174.6	177.3	177.6	177.2	86.3	-6.6	112	L314 V315 N320 Q321 E365 I559 V560	L314-R318 PolarHBondContact O-N 3.03Å; V315-R318 WeakPolarHBondContact O-CB 3.31Å; V315-R318 PolarHBondContact O-N 3.05Å; R318-N320 PolarHBondContact O-N 3.28Å; R318-Q321 PolarHBondContact O-N 3.33Å; R318-E365 IonicContact CZ-OE1 3.66Å; R318-E365 IonicContact CZ-OE2 2.72Å; R318-E365 VanDerWaalsContact NH1-CD 3.34Å; R318-E365 IonicContact NH1-OE1 3.39Å; R318-E365 PolarHBondContact NH1-OE1 2.84Å; R318-E365 IonicContact NH1-OE2 3.15Å; R318-E365 PolarHBondContact NH1-OE2 3.03Å; R318-E365 IonicContact NH2-OE1 3.63Å; R318-E365 PolarHBondContact NH2-OE1 2.95Å; R318-E365 IonicContact NH2-OE2 2.69Å; R318-E365 PolarHBondContact NH2-OE2 3.46Å; R318-I559 HydrophobicContact CG-CD1 4.34Å; R318-I559 VanDerWaalsContact NH1-CD1 3.29Å; R318-V560 HydrophobicContact CB-CB 4Å; R318-V560 HydrophobicContact CB-CG1 4.44Å; R318-V560 VanDerWaalsContact CD-O 3.23Å; R318-V560 WeakPolarHBondContact CD-O 3.24Å; R318-V560 WeakPolarHBondContact CG-O 3.37Å; R318-V560 PolarHBondContact NH1-O 3.1Å
319	N	86	Confident	92.9	Very high	43 Å²	43	32.5 Å²	32.5	23%	0.23	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-25.7	-175.1	-73.1	-26.1	0	0	0	112.8	V315 Y316 R525	V315-N319 WeakPolarHBondContact CG1-ND2 3.35Å; V315-N319 WeakPolarHBondContact O-CB 3.2Å; V315-N319 VanDerWaalsContact O-CG 3.26Å; V315-N319 PolarHBondContact O-N 3.23Å; V315-N319 PolarHBondContact O-ND2 2.74Å; Y316-N319 PolarHBondContact O-N 3.1Å; N319-R525 WeakPolarHBondContact OD1-CD 3.32Å; N319-R525 PolarHBondContact OD1-NH1 3.49Å
320	N	83.5	Confident	92.9	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-108.3	3.9	-177.8	-69.7	-72.9	0	0	0	114.6	F79 A81 Y316 M317 R318 L322	F79-N320 WeakPolarHBondContact CD1-OD1 3.49Å; F79-N320 WeakPolarHBondContact CE1-OD1 3.36Å; A81-N320 HydrophobicContact CB-CB 4.42Å; A81-N320 WeakPolarHBondContact CB-O 3.4Å; Y316-N320 VanDerWaalsContact CD2-ND2 3.34Å; Y316-N320 WeakPolarHBondContact CD2-ND2 3.46Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.26Å; Y316-N320 WeakPolarHBondContact O-CB 3.4Å; Y316-N320 PolarHBondContact O-N 3.23Å; Y316-N320 PolarHBondContact O-ND2 3.36Å; M317-N320 CarbonylContact O-C 3.47Å; M317-N320 PolarHBondContact O-N 3.34Å; R318-N320 PolarHBondContact O-N 3.28Å; N320-L322 VanDerWaalsContact C-N 3.26Å; N320-L322 HydrophobicContact CB-CD1 3.77Å; N320-L322 HydrophobicContact CB-CG 3.8Å; N320-L322 PolarHBondContact O-N 3.44Å
321	Q	85.7	Confident	93	Very high	31 Å²	31	33.7 Å²	33.7	15%	0.145	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	48.6	-172.7	-68.7	130.1	50.7	0	0	113.1	M317 R318 F528 I559	M317-Q321 WeakPolarHBondContact O-CA 3.49Å; M317-Q321 PolarHBondContact O-N 2.9Å; R318-Q321 PolarHBondContact O-N 3.33Å; Q321-F528 VanDerWaalsContact OE1-CG 3.26Å; Q321-I559 HydrophobicContact CG-CG2 3.9Å
322	L	89	Confident	93.1	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.058	16%	0.161	C	C	.	.			trans	-99.1	135.3	172.7	-55.8	171.9	0	0	0	107.5	A81 W282 Y316 M317 N320	A81-L322 HydrophobicContact CB-CD2 4.36Å; W282-L322 HydrophobicContact CH2-CB 3.9Å; W282-L322 HydrophobicContact CH2-CD1 3.71Å; W282-L322 HydrophobicContact CH2-CG 4.33Å; W282-L322 HydrophobicContact CZ2-CD1 3.93Å; Y316-L322 HydrophobicContact CD1-CD1 4.13Å; Y316-L322 HydrophobicContact CE1-CD1 3.47Å; Y316-L322 VanDerWaalsContact CE1-CD1 3.47Å; M317-L322 HydrophobicContact CB-CB 4.39Å; M317-L322 WeakPolarHBondContact CB-O 3.46Å; M317-L322 HydrophobicContact CG-CB 4.31Å; M317-L322 PolarHBondContact O-N 3.4Å; N320-L322 VanDerWaalsContact C-N 3.26Å; N320-L322 HydrophobicContact CB-CD1 3.77Å; N320-L322 HydrophobicContact CB-CG 3.8Å; N320-L322 PolarHBondContact O-N 3.44Å
323	Y	92.3	Very high	93.1	Very high	23 Å²	23	31.8 Å²	31.8	9%	0.09	15%	0.152	C	C	.	.			trans	-112.2	132.3	179.9	-49	-70.1	0	0	0	108.1	Q279 T558 P570 P583	Q279-Y323 PolarHBondContact NE2-O 3.06Å; Y323-T558 VanDerWaalsContact CE1-O 3.31Å; Y323-T558 WeakPolarHBondContact CE1-O 3.31Å; Y323-T558 PolarHBondContact OH-O 3.01Å; Y323-P570 HydrophobicContact CD1-CB 4.09Å; Y323-P570 HydrophobicContact CD1-CG 3.79Å; Y323-P570 HydrophobicContact CE1-CB 4.38Å; Y323-P570 HydrophobicContact CE1-CG 3.87Å; Y323-P583 HydrophobicContact CD1-CG 3.81Å; Y323-P583 HydrophobicContact CD2-CG 3.78Å; Y323-P583 HydrophobicContact CE1-CG 4.22Å; Y323-P583 HydrophobicContact CE2-CG 4.19Å; Y323-P583 HydrophobicContact CG-CG 3.56Å
324	P	95.1	Very high	92.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.			trans	-63.7	143.8	171.1	26.8	-33.7	0	0	0	109.9	V328 A329 I332 P570 Y571 D572	P324-V328 HydrophobicContact CB-CB 3.81Å; P324-V328 HydrophobicContact CB-CG1 3.78Å; P324-A329 HydrophobicContact CB-CB 4.39Å; P324-A329 HydrophobicContact CG-CB 4.33Å; P324-I332 HydrophobicContact CB-CD1 4.17Å; P324-I332 HydrophobicContact CG-CD1 4.33Å; P324-P570 WeakPolarHBondContact CD-O 3.31Å; P324-Y571 VanDerWaalsContact O-CA 3.27Å; P324-Y571 WeakPolarHBondContact O-CA 3.5Å; P324-Y571 VanDerWaalsContact O-CB 3.3Å; P324-Y571 WeakPolarHBondContact O-CB 3.5Å; P324-D572 PolarHBondContact O-N 3.43Å
325	Q	94.1	Very high	92.7	Very high	96 Å²	96	33.7 Å²	33.7	45%	0.449	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-70.6	160.2	163.2	-72.4	177.9	-8.7	0	0	110.1	Q279 K327 V328 A329 D572	Q279-Q325 HydrophobicContact CG-CG 3.91Å; Q325-K327 PolarHBondContact O-N 2.95Å; Q325-V328 PolarHBondContact O-N 2.99Å; Q325-A329 PolarHBondContact O-N 3.46Å; Q325-D572 CarbonylContact C-O 3.54Å
326	Q	94.1	Very high	92.7	Very high	57 Å²	57	30.8 Å²	30.8	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-45	-42.4	178.8	-179.5	71	68.7	0	0	113.1	A329 N330 Y571 D572	Q326-A329 PolarHBondContact O-N 3Å; Q326-N330 PolarHBondContact NE2-OD1 3.35Å; Q326-N330 PolarHBondContact O-N 3.49Å; Q326-N330 PolarHBondContact O-ND2 3.06Å; Q326-N330 PolarHBondContact O-OD1 3.19Å; Q326-Y571 HydrophobicContact CB-CD2 4.47Å; Q326-Y571 PolarHBondContact OE1-OH 3.46Å; Q326-D572 PolarHBondContact N-O 2.98Å
327	K	94.3	Very high	92.6	Very high	129 Å²	129	33.9 Å²	33.9	56%	0.561	16%	0.162	S	C	*	.	H	α-helix	trans	-59.9	-53.1	177.5	-167.6	-169.4	-175.7	-151.9	0	111.5	D283 Q325 A329 N330 T331	D283-K327 WeakPolarHBondContact OD2-CE 3.24Å; D283-K327 IonicContact OD2-NZ 2.67Å; D283-K327 PolarHBondContact OD2-NZ 3.26Å; Q325-K327 PolarHBondContact O-N 2.95Å; K327-A329 VanDerWaalsContact C-N 3.31Å; K327-A329 PolarHBondContact O-N 3.18Å; K327-N330 WeakPolarHBondContact O-CB 3.24Å; K327-N330 PolarHBondContact O-N 2.91Å; K327-T331 PolarHBondContact O-N 3.19Å; K327-T331 PolarHBondContact O-OG1 3.02Å; K327-T331 VanDerWaalsContact O-OG1 3.1Å
328	V	96.1	Very high	92.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-39.3	178.5	-176.8	0	0	0	0	110.8	Q279 W282 D283 P324 Q325 N330 T331 I332	Q279-V328 HydrophobicContact CB-CG2 3.99Å; Q279-V328 VanDerWaalsContact O-CG2 3.31Å; Q279-V328 WeakPolarHBondContact O-CG2 3.36Å; W282-V328 HydrophobicContact CB-CG1 4.02Å; D283-V328 HydrophobicContact CB-CG2 4.14Å; P324-V328 HydrophobicContact CB-CB 3.81Å; P324-V328 HydrophobicContact CB-CG1 3.78Å; Q325-V328 PolarHBondContact O-N 2.99Å; V328-N330 VanDerWaalsContact C-N 3.34Å; V328-N330 PolarHBondContact O-N 2.73Å; V328-T331 PolarHBondContact O-N 3.24Å; V328-T331 VanDerWaalsContact O-N 3.17Å; V328-I332 HydrophobicContact CG1-CD1 3.9Å; V328-I332 HydrophobicContact CG1-CG1 4.34Å; V328-I332 VanDerWaalsContact O-CG1 3.3Å; V328-I332 WeakPolarHBondContact O-CG1 3.24Å; V328-I332 PolarHBondContact O-N 3.1Å
329	A	97.1	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-39.9	175.9	0	0	0	0	0	112	P324 Q325 Q326 K327 T331 I332 K333 W348 Y571 L587	P324-A329 HydrophobicContact CB-CB 4.39Å; P324-A329 HydrophobicContact CG-CB 4.33Å; Q325-A329 PolarHBondContact O-N 3.46Å; Q326-A329 PolarHBondContact O-N 3Å; K327-A329 VanDerWaalsContact C-N 3.31Å; K327-A329 PolarHBondContact O-N 3.18Å; A329-T331 VanDerWaalsContact C-N 3.33Å; A329-I332 PolarHBondContact O-N 3.32Å; A329-K333 WeakPolarHBondContact O-CB 3.36Å; A329-K333 PolarHBondContact O-N 3.04Å; A329-W348 HydrophobicContact CB-CH2 4.09Å; A329-W348 HydrophobicContact CB-CZ3 4.05Å; A329-Y571 HydrophobicContact CB-CD1 4.47Å; A329-Y571 HydrophobicContact CB-CD2 4.32Å; A329-Y571 HydrophobicContact CB-CG 3.94Å; A329-L587 WeakPolarHBondContact O-CD2 3.07Å
330	N	96.1	Very high	91.4	Very high	66 Å²	66	37.9 Å²	37.9	35%	0.353	19%	0.19	S	C	.	.	H	α-helix	trans	-63.2	-39.8	173.5	-68	-21.4	0	0	0	111.8	Q326 K327 V328 K333 S334 W348	Q326-N330 PolarHBondContact NE2-OD1 3.35Å; Q326-N330 PolarHBondContact O-N 3.49Å; Q326-N330 PolarHBondContact O-ND2 3.06Å; Q326-N330 PolarHBondContact O-OD1 3.19Å; K327-N330 WeakPolarHBondContact O-CB 3.24Å; K327-N330 PolarHBondContact O-N 2.91Å; V328-N330 VanDerWaalsContact C-N 3.34Å; V328-N330 PolarHBondContact O-N 2.73Å; N330-K333 WeakPolarHBondContact O-CB 3.28Å; N330-K333 PolarHBondContact O-N 2.82Å; N330-S334 WeakPolarHBondContact O-CB 3.39Å; N330-S334 PolarHBondContact O-N 3.34Å; N330-S334 PolarHBondContact O-OG 2.9Å; N330-W348 WeakPolarHBondContact OD1-CH2 3.49Å; N330-W348 WeakPolarHBondContact OD1-CZ2 3.36Å
331	T	95.9	Very high	90.9	Very high	22 Å²	22	41.8 Å²	41.8	14%	0.135	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-45.1	177.8	-52.9	0	0	0	0	110.9	D283 F286 T287 K327 V328 A329 K333 S334 W335	D283-T331 WeakPolarHBondContact OD1-CB 3.49Å; D283-T331 PolarHBondContact OD1-OG1 2.98Å; F286-T331 HydrophobicContact CB-CG2 3.61Å; T287-T331 VanDerWaalsContact OG1-CG2 3.26Å; T287-T331 WeakPolarHBondContact OG1-CG2 3.22Å; K327-T331 PolarHBondContact O-N 3.19Å; K327-T331 PolarHBondContact O-OG1 3.02Å; K327-T331 VanDerWaalsContact O-OG1 3.1Å; V328-T331 PolarHBondContact O-N 3.24Å; V328-T331 VanDerWaalsContact O-N 3.17Å; A329-T331 VanDerWaalsContact C-N 3.33Å; T331-K333 PolarHBondContact O-N 3.02Å; T331-S334 PolarHBondContact O-N 3.41Å; T331-W335 WeakPolarHBondContact O-CB 3.38Å; T331-W335 PolarHBondContact O-N 3.36Å
332	I	96.6	Very high	90.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-47.7	173.5	-67.3	165.3	0	0	0	110.4	F286 L314 P324 V328 A329 S334 W335 F336 L569 L587 L589	F286-I332 HydrophobicContact CD1-CG1 3.95Å; F286-I332 HydrophobicContact CD2-CG1 3.85Å; F286-I332 HydrophobicContact CE1-CG1 3.91Å; F286-I332 HydrophobicContact CE2-CD1 4.16Å; F286-I332 HydrophobicContact CE2-CG1 3.82Å; F286-I332 HydrophobicContact CG-CG1 3.95Å; F286-I332 HydrophobicContact CZ-CD1 4.31Å; F286-I332 HydrophobicContact CZ-CG1 3.86Å; L314-I332 HydrophobicContact CD2-CD1 3.95Å; L314-I332 HydrophobicContact CD2-CG2 4.48Å; P324-I332 HydrophobicContact CB-CD1 4.17Å; P324-I332 HydrophobicContact CG-CD1 4.33Å; V328-I332 HydrophobicContact CG1-CD1 3.9Å; V328-I332 HydrophobicContact CG1-CG1 4.34Å; V328-I332 VanDerWaalsContact O-CG1 3.3Å; V328-I332 WeakPolarHBondContact O-CG1 3.24Å; V328-I332 PolarHBondContact O-N 3.1Å; A329-I332 PolarHBondContact O-N 3.32Å; I332-S334 VanDerWaalsContact C-N 3.32Å; I332-S334 PolarHBondContact O-N 3.28Å; I332-W335 PolarHBondContact O-N 3.29Å; I332-F336 HydrophobicContact CG2-CD2 3.75Å; I332-F336 HydrophobicContact CG2-CE2 3.77Å; I332-F336 WeakPolarHBondContact O-CD2 3.35Å; I332-F336 PolarHBondContact O-N 2.8Å; I332-L569 HydrophobicContact CD1-CD2 3.91Å; I332-L569 HydrophobicContact CG2-CD2 3.9Å; I332-L587 HydrophobicContact CG2-CD2 4.29Å; I332-L589 HydrophobicContact CG2-CD1 4.44Å
333	K	95.6	Very high	90.3	Very high	40 Å²	40	49.3 Å²	49.3	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-51.8	-52	174.3	167.8	171.3	-168	-57.6	0	111.2	A329 N330 T331 W335 F336 E337 A346 W348 L587	A329-K333 WeakPolarHBondContact O-CB 3.36Å; A329-K333 PolarHBondContact O-N 3.04Å; N330-K333 WeakPolarHBondContact O-CB 3.28Å; N330-K333 PolarHBondContact O-N 2.82Å; T331-K333 PolarHBondContact O-N 3.02Å; K333-W335 VanDerWaalsContact C-N 3.29Å; K333-W335 PolarHBondContact O-N 3.39Å; K333-F336 PolarHBondContact O-N 2.83Å; K333-E337 IonicContact NZ-OE1 2.71Å; K333-E337 PolarHBondContact NZ-OE1 3.43Å; K333-E337 IonicContact NZ-OE2 2.73Å; K333-E337 PolarHBondContact NZ-OE2 2.84Å; K333-E337 WeakPolarHBondContact O-CG 3.41Å; K333-E337 PolarHBondContact O-N 3.07Å; K333-E337 VanDerWaalsContact O-N 3.08Å; K333-A346 HydrophobicContact CB-CB 4.48Å; K333-A346 HydrophobicContact CD-CB 4.03Å; K333-A346 HydrophobicContact CG-CB 3.6Å; K333-W348 HydrophobicContact CD-CH2 4.31Å; K333-W348 HydrophobicContact CD-CZ2 3.57Å; K333-L587 HydrophobicContact CB-CD1 3.98Å; K333-L587 HydrophobicContact CB-CD2 3.95Å; K333-L587 HydrophobicContact CD-CD1 4.18Å; K333-L587 HydrophobicContact CG-CD1 4.31Å
334	S	93.5	Very high	90.3	Very high	40 Å²	40	49.4 Å²	49.4	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-35.6	-178.6	-62.5	0	0	0	0	112.8	N330 T331 I332 S338	N330-S334 WeakPolarHBondContact O-CB 3.39Å; N330-S334 PolarHBondContact O-N 3.34Å; N330-S334 PolarHBondContact O-OG 2.9Å; T331-S334 PolarHBondContact O-N 3.41Å; I332-S334 VanDerWaalsContact C-N 3.32Å; I332-S334 PolarHBondContact O-N 3.28Å; S334-S338 PolarHBondContact O-N 3.23Å
335	W	93	Very high	90.1	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-49	175.9	168.7	65.8	0	0	0	111.4	F286 H307 L310 L311 L314 T331 I332 K333 E337 S338 L339	F286-W335 HydrophobicContact CD1-CB 4.18Å; F286-W335 AromaticContact CD1-CD2 3.79Å; F286-W335 HydrophobicContact CD1-CD2 3.79Å; F286-W335 AromaticContact CD1-CE3 3.67Å; F286-W335 HydrophobicContact CD1-CE3 3.67Å; F286-W335 HydrophobicContact CD1-CG 4.01Å; F286-W335 HydrophobicContact CD1-CZ3 4.31Å; F286-W335 HydrophobicContact CE1-CD2 4.01Å; F286-W335 AromaticContact CE1-CE3 3.48Å; F286-W335 HydrophobicContact CE1-CE3 3.48Å; F286-W335 VanDerWaalsContact CE1-CE3 3.48Å; F286-W335 HydrophobicContact CE1-CH2 4.35Å; F286-W335 AromaticContact CE1-CZ3 3.67Å; F286-W335 HydrophobicContact CE1-CZ3 3.67Å; H307-W335 AromaticContact CE1-CZ2 3.88Å; H307-W335 AromaticContact ND1-CH2 3.99Å; H307-W335 AromaticContact ND1-CZ2 3.35Å; H307-W335 WeakPolarHBondContact ND1-CZ2 3.34Å; L310-W335 HydrophobicContact CB-CH2 3.71Å; L310-W335 HydrophobicContact CB-CZ2 3.6Å; L310-W335 HydrophobicContact CB-CZ3 4.36Å; L310-W335 HydrophobicContact CD1-CD2 3.98Å; L310-W335 HydrophobicContact CD1-CG 4.27Å; L310-W335 HydrophobicContact CD1-CH2 4.42Å; L310-W335 HydrophobicContact CD1-CZ2 3.62Å; L310-W335 VanDerWaalsContact CD1-NE1 3.35Å; L310-W335 HydrophobicContact CG-CZ2 4.28Å; L311-W335 HydrophobicContact CD2-CH2 3.79Å; L311-W335 HydrophobicContact CD2-CZ3 4.29Å; L311-W335 HydrophobicContact CG-CH2 4.16Å; L314-W335 HydrophobicContact CD1-CZ3 4.45Å; T331-W335 WeakPolarHBondContact O-CB 3.38Å; T331-W335 PolarHBondContact O-N 3.36Å; I332-W335 PolarHBondContact O-N 3.29Å; K333-W335 VanDerWaalsContact C-N 3.29Å; K333-W335 PolarHBondContact O-N 3.39Å; W335-E337 VanDerWaalsContact C-N 3.28Å; W335-E337 PolarHBondContact O-N 3.26Å; W335-S338 PolarHBondContact O-N 3.41Å; W335-S338 PolarHBondContact O-OG 3.41Å; W335-L339 HydrophobicContact CZ2-CD1 4.47Å; W335-L339 HydrophobicContact CZ2-CD2 4.49Å; W335-L339 WeakPolarHBondContact O-CG 3.2Å; W335-L339 PolarHBondContact O-N 3.15Å
336	F	92.9	Very high	90.1	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-40.8	176.5	-89.3	-87.2	0	0	0	112.3	L311 L314 I332 K333 S338 L339 W344 W567 L589	L311-F336 HydrophobicContact CD2-CZ 4.25Å; L314-F336 HydrophobicContact CD1-CE2 3.78Å; L314-F336 HydrophobicContact CD1-CZ 3.85Å; I332-F336 HydrophobicContact CG2-CD2 3.75Å; I332-F336 HydrophobicContact CG2-CE2 3.77Å; I332-F336 WeakPolarHBondContact O-CD2 3.35Å; I332-F336 PolarHBondContact O-N 2.8Å; K333-F336 PolarHBondContact O-N 2.83Å; F336-S338 VanDerWaalsContact C-N 3.26Å; F336-S338 PolarHBondContact O-N 3.15Å; F336-L339 HydrophobicContact CD1-CD1 4.23Å; F336-L339 PolarHBondContact O-N 2.73Å; F336-W344 HydrophobicContact CB-CB 4.37Å; F336-W344 AromaticContact CD1-CD2 3.71Å; F336-W344 HydrophobicContact CD1-CD2 3.71Å; F336-W344 AromaticContact CD1-CE2 3.94Å; F336-W344 HydrophobicContact CD1-CE3 4.03Å; F336-W344 AromaticContact CD1-CG 3.92Å; F336-W344 HydrophobicContact CD1-CG 3.92Å; F336-W344 HydrophobicContact CD1-CZ2 4.47Å; F336-W344 HydrophobicContact CE1-CD2 4.2Å; F336-W344 HydrophobicContact CE1-CE3 4.36Å; F336-W344 HydrophobicContact CE1-CH2 4.35Å; F336-W344 HydrophobicContact CE1-CZ2 4.17Å; F336-W344 HydrophobicContact CE1-CZ3 4.44Å; F336-W344 WeakPolarHBondContact O-CB 3.44Å; F336-W567 AromaticContact CE1-CD1 3.85Å; F336-W567 HydrophobicContact CE1-CG 4.47Å; F336-W567 AromaticContact CZ-CD1 3.81Å; F336-W567 HydrophobicContact CZ-CD2 4.38Å; F336-W567 HydrophobicContact CZ-CG 4.05Å; F336-L589 HydrophobicContact CB-CD1 4.41Å; F336-L589 HydrophobicContact CB-CD2 3.94Å; F336-L589 HydrophobicContact CD1-CD1 4.15Å; F336-L589 HydrophobicContact CD2-CD1 3.28Å; F336-L589 HydrophobicContact CD2-CD2 4.28Å; F336-L589 HydrophobicContact CD2-CG 4.36Å; F336-L589 HydrophobicContact CE1-CD1 4.19Å; F336-L589 HydrophobicContact CE2-CD1 3.31Å; F336-L589 HydrophobicContact CG-CD1 3.7Å; F336-L589 HydrophobicContact CG-CD2 4.13Å; F336-L589 HydrophobicContact CG-CG 4.41Å; F336-L589 HydrophobicContact CZ-CD1 3.8Å
337	E	90.4	Very high	90.2	Very high	91 Å²	91	47 Å²	47	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-21.7	177.1	-71.9	175.8	148.9	0	0	113.6	K333 W335 A346	K333-E337 IonicContact NZ-OE1 2.71Å; K333-E337 PolarHBondContact NZ-OE1 3.43Å; K333-E337 IonicContact NZ-OE2 2.73Å; K333-E337 PolarHBondContact NZ-OE2 2.84Å; K333-E337 WeakPolarHBondContact O-CG 3.41Å; K333-E337 PolarHBondContact O-N 3.07Å; K333-E337 VanDerWaalsContact O-N 3.08Å; W335-E337 VanDerWaalsContact C-N 3.28Å; W335-E337 PolarHBondContact O-N 3.26Å; E337-A346 HydrophobicContact CG-CB 4.02Å
338	S	87.6	Confident	90.4	Very high	20 Å²	20	45.5 Å²	45.5	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-84.3	-14.7	178.1	80.6	0	0	0	0	113.8	E293 S334 W335 F336 N340	E293-S338 WeakPolarHBondContact OE2-CB 3.31Å; E293-S338 PolarHBondContact OE2-OG 3.08Å; S334-S338 PolarHBondContact O-N 3.23Å; W335-S338 PolarHBondContact O-N 3.41Å; W335-S338 PolarHBondContact O-OG 3.41Å; F336-S338 VanDerWaalsContact C-N 3.26Å; F336-S338 PolarHBondContact O-N 3.15Å; S338-N340 VanDerWaalsContact C-N 3.34Å; S338-N340 PolarHBondContact O-N 3.07Å
339	L	85.9	Confident	90.4	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.084	26%	0.258	C	S	.	.			trans	-65.7	87.4	179.7	-62	175.6	0	0	0	111.9	W335 F336 G341 Q342	W335-L339 HydrophobicContact CZ2-CD1 4.47Å; W335-L339 HydrophobicContact CZ2-CD2 4.49Å; W335-L339 WeakPolarHBondContact O-CG 3.2Å; W335-L339 PolarHBondContact O-N 3.15Å; F336-L339 HydrophobicContact CD1-CD1 4.23Å; F336-L339 PolarHBondContact O-N 2.73Å; L339-G341 PolarHBondContact O-N 3.22Å; L339-Q342 PolarHBondContact O-N 2.98Å
340	N	70.8	Confident	90.3	Very high	146 Å²	146	49.4 Å²	49.4	78%	0.781	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	136.1	177.9	-67.5	-45.8	0	0	0	110.8	S338 Q342	S338-N340 VanDerWaalsContact C-N 3.34Å; S338-N340 PolarHBondContact O-N 3.07Å; N340-Q342 VanDerWaalsContact C-N 3.34Å; N340-Q342 PolarHBondContact O-N 3.48Å
341	G	73.5	Confident	90.2	Very high	84 Å²	84	47.3 Å²	47.3	87%	0.866	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-12.7	179	0	0	0	0	0	115.8	L339	L339-G341 PolarHBondContact O-N 3.22Å
342	Q	76.5	Confident	90.1	Very high	59 Å²	59	48.5 Å²	48.5	28%	0.276	28%	0.279	S	S	.	.	S	Bend	trans	-102	-9.3	178.5	-63.7	-162.4	33	0	0	114.8	L339 N340 W344 K591	L339-Q342 PolarHBondContact O-N 2.98Å; N340-Q342 VanDerWaalsContact C-N 3.34Å; N340-Q342 PolarHBondContact O-N 3.48Å; Q342-W344 VanDerWaalsContact C-N 3.28Å; Q342-W344 PolarHBondContact O-N 3.49Å; Q342-K591 VanDerWaalsContact O-CE 3.31Å; Q342-K591 WeakPolarHBondContact O-CE 3.49Å; Q342-K591 WeakPolarHBondContact O-CG 3.48Å
343	K	85.5	Confident	89.7	Confident	142 Å²	142	54.3 Å²	54.3	62%	0.617	32%	0.317	S	S	*	.			trans	47.7	44.3	177.5	-60.6	-178	-177.1	171	0	114	K592	K343-K592 HydrophobicContact CB-CB 4.29Å; K343-K592 PolarHBondContact O-N 3.25Å
344	W	91.8	Very high	89.4	Confident	24 Å²	24	61.6 Å²	61.6	9%	0.091	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.8	171.3	-74	100.8	0	0	0	110.8	F336 Q342 D565 W567 L589 T590 K591	F336-W344 HydrophobicContact CB-CB 4.37Å; F336-W344 AromaticContact CD1-CD2 3.71Å; F336-W344 HydrophobicContact CD1-CD2 3.71Å; F336-W344 AromaticContact CD1-CE2 3.94Å; F336-W344 HydrophobicContact CD1-CE3 4.03Å; F336-W344 AromaticContact CD1-CG 3.92Å; F336-W344 HydrophobicContact CD1-CG 3.92Å; F336-W344 HydrophobicContact CD1-CZ2 4.47Å; F336-W344 HydrophobicContact CE1-CD2 4.2Å; F336-W344 HydrophobicContact CE1-CE3 4.36Å; F336-W344 HydrophobicContact CE1-CH2 4.35Å; F336-W344 HydrophobicContact CE1-CZ2 4.17Å; F336-W344 HydrophobicContact CE1-CZ3 4.44Å; F336-W344 WeakPolarHBondContact O-CB 3.44Å; Q342-W344 VanDerWaalsContact C-N 3.28Å; Q342-W344 PolarHBondContact O-N 3.49Å; W344-D565 WeakPolarHBondContact CZ3-O 3.33Å; W344-W567 AromaticContact CH2-CD1 3.78Å; W344-L589 HydrophobicContact CE3-CB 4.18Å; W344-L589 HydrophobicContact CZ3-CB 4.29Å; W344-T590 CarbonylContact C-O 3.56Å; W344-T590 WeakPolarHBondContact CA-O 3.4Å; W344-T590 VanDerWaalsContact CE3-C 3.4Å; W344-K591 HydrophobicContact CD2-CB 4.18Å; W344-K591 HydrophobicContact CD2-CG 4.31Å; W344-K591 HydrophobicContact CE3-CB 4.06Å; W344-K591 HydrophobicContact CH2-CB 4.03Å; W344-K591 HydrophobicContact CZ2-CB 4.16Å; W344-K591 HydrophobicContact CZ2-CD 4.04Å; W344-K591 HydrophobicContact CZ2-CG 4.32Å; W344-K591 HydrophobicContact CZ3-CB 3.99Å
345	T	91.8	Very high	89.4	Confident	44 Å²	44	60 Å²	60	27%	0.27	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.4	171.4	59.3	0	0	0	0	109.9	L589 T590 K592	T345-L589 CarbonylContact O-C 3.6Å; T345-L589 WeakPolarHBondContact O-CA 3.19Å; T345-T590 PolarHBondContact N-O 3.46Å; T345-T590 PolarHBondContact O-N 2.89Å; T345-T590 PolarHBondContact OG1-O 3.29Å; T345-T590 PolarHBondContact OG1-OG1 3.16Å; T345-K592 HydrophobicContact CG2-CD 3.79Å; T345-K592 HydrophobicContact CG2-CG 4.09Å
346	A	94.4	Very high	89.5	Confident	20 Å²	20	61 Å²	61	17%	0.165	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.6	-173.8	0	0	0	0	0	111.5	K333 E337 L587 C588 L589	K333-A346 HydrophobicContact CB-CB 4.48Å; K333-A346 HydrophobicContact CD-CB 4.03Å; K333-A346 HydrophobicContact CG-CB 3.6Å; E337-A346 HydrophobicContact CG-CB 4.02Å; A346-L587 HydrophobicContact CB-CD1 4.39Å; A346-C588 CarbonylContact C-O 3.5Å; A346-C588 WeakPolarHBondContact CA-O 3.32Å; A346-L589 HydrophobicContact CB-CD2 3.39Å
347	A	95.9	Very high	89.7	Confident	38 Å²	38	61.1 Å²	61.1	31%	0.314	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.9	177.9	0	0	0	0	0	111.1	C359 C588	A347-C359 HydrophobicContact CB-CB 4.15Å; A347-C588 PolarHBondContact N-O 2.7Å; A347-C588 PolarHBondContact O-N 2.73Å
348	W	97.1	Very high	89.9	Confident	98 Å²	98	59.1 Å²	59.1	37%	0.371	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.2	169.3	-54.9	111.5	0	0	0	109.1	A329 N330 K333 C359 Y571 L587	A329-W348 HydrophobicContact CB-CH2 4.09Å; A329-W348 HydrophobicContact CB-CZ3 4.05Å; N330-W348 WeakPolarHBondContact OD1-CH2 3.49Å; N330-W348 WeakPolarHBondContact OD1-CZ2 3.36Å; K333-W348 HydrophobicContact CD-CH2 4.31Å; K333-W348 HydrophobicContact CD-CZ2 3.57Å; W348-C359 PolarHBondContact O-SG 3.1Å; W348-Y571 HydrophobicContact CE3-CD1 4.28Å; W348-Y571 AromaticContact CE3-CE1 3.45Å; W348-Y571 HydrophobicContact CE3-CE1 3.45Å; W348-Y571 VanDerWaalsContact CE3-CE1 3.45Å; W348-Y571 AromaticContact CE3-CZ 3.7Å; W348-Y571 HydrophobicContact CZ3-CD1 4.02Å; W348-Y571 AromaticContact CZ3-CE1 3.59Å; W348-Y571 HydrophobicContact CZ3-CE1 3.59Å; W348-Y571 HydrophobicContact CZ3-CE2 4.48Å; W348-Y571 AromaticContact CZ3-CZ 3.83Å; W348-L587 HydrophobicContact CD2-CD1 4.46Å; W348-L587 HydrophobicContact CE3-CB 4.22Å; W348-L587 HydrophobicContact CE3-CD1 4Å; W348-L587 HydrophobicContact CH2-CD1 4.16Å; W348-L587 HydrophobicContact CZ3-CB 3.94Å; W348-L587 HydrophobicContact CZ3-CD1 3.87Å; W348-L587 HydrophobicContact CZ3-CG 4.33Å
349	S	95.8	Very high	90.2	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.063	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.9	-171.1	-168.5	0	0	0	0	111.3	C357 G358 C359 W586	S349-C357 PolarHBondContact OG-SG 3.16Å; S349-G358 PolarHBondContact OG-N 2.95Å; S349-C359 WeakPolarHBondContact CB-SG 3.32Å; S349-C359 PolarHBondContact OG-N 3.41Å; S349-C359 VanDerWaalsContact OG-N 3.16Å; S349-W586 PolarHBondContact N-O 2.88Å; S349-W586 PolarHBondContact O-N 2.92Å; S349-W586 VanDerWaalsContact O-O 3.11Å
350	T	95.2	Very high	90.6	Very high	77 Å²	77	62.7 Å²	62.7	47%	0.472	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	164	158.9	56.5	0	0	0	0	109.6	G358 L585	T350-G358 PolarHBondContact O-N 3.43Å; T350-L585 HydrophobicContact CG2-CD2 3.88Å
351	A	94.3	Very high	91.7	Very high	22 Å²	22	58.1 Å²	58.1	18%	0.182	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-87.8	134.2	170.2	0	0	0	0	0	109.8	L364 F556	A351-L364 HydrophobicContact CB-CD1 3.57Å; A351-F556 HydrophobicContact CB-CD1 4.42Å; A351-F556 HydrophobicContact CB-CD2 4.21Å; A351-F556 HydrophobicContact CB-CE1 3.73Å; A351-F556 HydrophobicContact CB-CE2 3.52Å; A351-F556 HydrophobicContact CB-CZ 3.23Å
352	T	93.4	Very high	92.7	Very high	46 Å²	46	56 Å²	56	28%	0.282	34%	0.336	S	S	.	.			trans	-71.7	156.2	174.4	63.7	0	0	0	0	110.5	K354 G355 A356	T352-K354 PolarHBondContact O-N 3.42Å; T352-G355 PolarHBondContact O-N 2.71Å; T352-A356 WeakPolarHBondContact CB-O 3.42Å; T352-A356 WeakPolarHBondContact CG2-O 3.33Å; T352-A356 PolarHBondContact N-O 3.25Å; T352-A356 PolarHBondContact OG1-N 2.93Å; T352-A356 PolarHBondContact OG1-O 3.36Å
353	P	89.1	Confident	93.6	Very high	123 Å²	123	61.5 Å²	61.5	80%	0.799	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.7	175.5	-26.3	35.1	0	0	0	114.6	G355	P353-G355 VanDerWaalsContact C-N 3.32Å
354	K	89.9	Confident	94.1	Very high	193 Å²	193	55.4 Å²	55.4	84%	0.839	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.3	175.9	-65.7	-175.5	179.7	-179.5	0	113.4	T352	T352-K354 PolarHBondContact O-N 3.42Å
355	G	92.6	Very high	94.2	Very high	7 Å²	7	57.2 Å²	57.2	7%	0.072	35%	0.345	C	S	.	.	S	Bend	trans	86.5	25.5	-177.2	0	0	0	0	0	114.8	T352 P353 L364 F556	T352-G355 PolarHBondContact O-N 2.71Å; P353-G355 VanDerWaalsContact C-N 3.32Å; G355-L364 WeakPolarHBondContact O-CB 3.44Å; G355-L364 PolarHBondContact O-N 3.15Å; G355-F556 VanDerWaalsContact CA-CD1 3.49Å
356	A	95.6	Very high	94.4	Very high	21 Å²	21	57.6 Å²	57.6	17%	0.174	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-108.1	150.7	170.9	0	0	0	0	0	111.6	T352 G358 S362	T352-A356 WeakPolarHBondContact CB-O 3.42Å; T352-A356 WeakPolarHBondContact CG2-O 3.33Å; T352-A356 PolarHBondContact N-O 3.25Å; T352-A356 PolarHBondContact OG1-N 2.93Å; T352-A356 PolarHBondContact OG1-O 3.36Å; A356-G358 PolarHBondContact O-N 2.93Å; A356-S362 CarbonylContact C-O 3.54Å; A356-S362 WeakPolarHBondContact CA-O 3.43Å
357	C	96	Very high	94.3	Very high	4 Å²	4	57.2 Å²	57.2	3%	0.027	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-63.6	129.6	172.1	178.7	0	0	0	0	110.8	S349 C359 C360 G361 S362 L364 C588	S349-C357 PolarHBondContact OG-SG 3.16Å; C357-C359 PolarHBondContact O-N 3.19Å; C357-C359 PolarHBondContact SG-N 3.36Å; C357-C359 VanDerWaalsContact SG-N 3.41Å; C357-C360 VanDerWaalsContact CB-SG 3.54Å; C357-C360 VanDerWaalsContact SG-SG 3.63Å; C357-G361 VanDerWaalsContact O-CA 3.23Å; C357-G361 WeakPolarHBondContact O-CA 3.41Å; C357-G361 PolarHBondContact O-N 2.71Å; C357-S362 PolarHBondContact N-O 2.72Å; C357-L364 HydrophobicContact CB-CD2 4.45Å; C357-C588 VanDerWaalsContact SG-SG 3.63Å
358	G	95.1	Very high	94.2	Very high	49 Å²	49	62 Å²	62	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.2	177.1	0	0	0	0	0	114.8	S349 T350 A356	S349-G358 PolarHBondContact OG-N 2.95Å; T350-G358 PolarHBondContact O-N 3.43Å; A356-G358 PolarHBondContact O-N 2.93Å
359	C	94.3	Very high	94.1	Very high	63 Å²	63	57.7 Å²	57.7	43%	0.426	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-58.3	178.4	-72.2	0	0	0	0	113.6	A347 W348 S349 C357 C588	A347-C359 HydrophobicContact CB-CB 4.15Å; W348-C359 PolarHBondContact O-SG 3.1Å; S349-C359 WeakPolarHBondContact CB-SG 3.32Å; S349-C359 PolarHBondContact OG-N 3.41Å; S349-C359 VanDerWaalsContact OG-N 3.16Å; C357-C359 PolarHBondContact O-N 3.19Å; C357-C359 PolarHBondContact SG-N 3.36Å; C357-C359 VanDerWaalsContact SG-N 3.41Å; C359-C588 HydrophobicContact CB-CB 4.06Å
360	C	94.2	Very high	94	Very high	48 Å²	48	59.5 Å²	59.5	32%	0.324	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-10.1	-174.3	68.5	0	0	0	0	113.9	C357 S362 H568 C588 T590	C357-C360 VanDerWaalsContact CB-SG 3.54Å; C357-C360 VanDerWaalsContact SG-SG 3.63Å; C360-S362 PolarHBondContact O-N 3.41Å; C360-S362 VanDerWaalsContact SG-CB 3.58Å; C360-S362 PolarHBondContact SG-N 3.28Å; C360-S362 PolarHBondContact SG-OG 3.21Å; C360-H568 PolarHBondContact SG-NE2 3.4Å; C360-C588 VanDerWaalsContact SG-SG 3.63Å; C360-T590 HydrophobicContact CB-CG2 3.66Å
361	G	93.9	Very high	94	Very high	49 Å²	49	59.1 Å²	59.1	51%	0.505	36%	0.362	S	S	.	.			trans	74.9	-2.9	-177.9	0	0	0	0	0	115.3	C357	C357-G361 VanDerWaalsContact O-CA 3.23Å; C357-G361 WeakPolarHBondContact O-CA 3.41Å; C357-G361 PolarHBondContact O-N 2.71Å
362	S	94.3	Very high	94.1	Very high	41 Å²	41	64.8 Å²	64.8	29%	0.287	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-62.2	140.6	177.8	-58.5	0	0	0	0	111.7	A356 C357 C360 L364	A356-S362 CarbonylContact C-O 3.54Å; A356-S362 WeakPolarHBondContact CA-O 3.43Å; C357-S362 PolarHBondContact N-O 2.72Å; C360-S362 PolarHBondContact O-N 3.41Å; C360-S362 VanDerWaalsContact SG-CB 3.58Å; C360-S362 PolarHBondContact SG-N 3.28Å; C360-S362 PolarHBondContact SG-OG 3.21Å; S362-L364 PolarHBondContact O-N 2.68Å
363	E	95.4	Very high	94.1	Very high	174 Å²	174	65.7 Å²	65.7	81%	0.813	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-67.4	129.3	172.6	-66.5	-172.4	169	0	0	110.2
364	L	95.8	Very high	94.4	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.073	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-79.7	151	172.9	-59.5	176.4	0	0	0	109.1	A351 G355 C357 S362 S366 F556 H568 W586	A351-L364 HydrophobicContact CB-CD1 3.57Å; G355-L364 WeakPolarHBondContact O-CB 3.44Å; G355-L364 PolarHBondContact O-N 3.15Å; C357-L364 HydrophobicContact CB-CD2 4.45Å; S362-L364 PolarHBondContact O-N 2.68Å; L364-S366 PolarHBondContact O-N 3.41Å; L364-F556 HydrophobicContact CB-CB 3.8Å; L364-F556 HydrophobicContact CB-CG 4.39Å; L364-F556 HydrophobicContact CD1-CB 4.36Å; L364-F556 HydrophobicContact CD1-CD2 3.85Å; L364-F556 HydrophobicContact CD1-CE2 4.34Å; L364-F556 HydrophobicContact CD1-CG 4.04Å; L364-H568 HydrophobicContact CD2-CB 4.01Å; L364-W586 HydrophobicContact CD1-CH2 4.37Å; L364-W586 HydrophobicContact CD1-CZ2 4.24Å; L364-W586 HydrophobicContact CD2-CZ3 4.47Å
365	E	95.1	Very high	94.7	Very high	62 Å²	62	55.4 Å²	55.4	29%	0.29	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-54.5	133.3	179	-63.9	175.6	-151.1	0	0	110.9	R318 F556 D557 Q561	R318-E365 IonicContact CZ-OE1 3.66Å; R318-E365 IonicContact CZ-OE2 2.72Å; R318-E365 VanDerWaalsContact NH1-CD 3.34Å; R318-E365 IonicContact NH1-OE1 3.39Å; R318-E365 PolarHBondContact NH1-OE1 2.84Å; R318-E365 IonicContact NH1-OE2 3.15Å; R318-E365 PolarHBondContact NH1-OE2 3.03Å; R318-E365 IonicContact NH2-OE1 3.63Å; R318-E365 PolarHBondContact NH2-OE1 2.95Å; R318-E365 IonicContact NH2-OE2 2.69Å; R318-E365 PolarHBondContact NH2-OE2 3.46Å; E365-F556 CarbonylContact O-C 3.56Å; E365-F556 VanDerWaalsContact O-CA 3.25Å; E365-F556 WeakPolarHBondContact O-CA 3.39Å; E365-D557 PolarHBondContact O-N 3.2Å; E365-Q561 HydrophobicContact CG-CB 4.48Å; E365-Q561 HydrophobicContact CG-CG 4.16Å
366	S	94.3	Very high	94.7	Very high	52 Å²	52	59.4 Å²	59.4	36%	0.364	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-66.4	140.9	179.7	178.7	0	0	0	0	111.4	L364 Q368 K529	L364-S366 PolarHBondContact O-N 3.41Å; S366-Q368 PolarHBondContact O-N 3.12Å; S366-Q368 WeakPolarHBondContact OG-CB 3.32Å; S366-Q368 PolarHBondContact OG-N 3.1Å; S366-Q368 VanDerWaalsContact OG-N 3.1Å; S366-K529 WeakPolarHBondContact O-CE 3.48Å; S366-K529 PolarHBondContact O-NZ 3.15Å
367	I	93.9	Very high	94.5	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.062	34%	0.337	C	S	.	.	S	Bend	trans	-69.8	-23.4	170.9	-165.7	61	0	0	0	111.9	K529 R532 G533 P554 R555 D557	I367-K529 VanDerWaalsContact C-CE 3.45Å; I367-K529 HydrophobicContact CD1-CG 4.32Å; I367-K529 WeakPolarHBondContact O-CE 3.45Å; I367-K529 WeakPolarHBondContact O-CG 3.38Å; I367-R532 HydrophobicContact CD1-CB 3.76Å; I367-G533 VanDerWaalsContact CG1-CA 3.44Å; I367-P554 WeakPolarHBondContact CG2-O 3.42Å; I367-R555 PolarHBondContact N-O 3.39Å; I367-D557 HydrophobicContact CD1-CB 4Å; I367-D557 WeakPolarHBondContact CD1-OD1 3.47Å
368	Q	93.2	Very high	94.4	Very high	138 Å²	138	60.4 Å²	60.4	65%	0.645	35%	0.345	S	S	*	.	S	Bend	trans	-73	136.6	-175.6	-62.5	178.8	-19.6	0	0	110.2	S366 K529	S366-Q368 PolarHBondContact O-N 3.12Å; S366-Q368 WeakPolarHBondContact OG-CB 3.32Å; S366-Q368 PolarHBondContact OG-N 3.1Å; S366-Q368 VanDerWaalsContact OG-N 3.1Å; Q368-K529 WeakPolarHBondContact O-CE 3.47Å; Q368-K529 PolarHBondContact O-NZ 3.27Å
369	L	93.9	Very high	94.2	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.037	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-81.8	138.4	172	-73.5	80	0	0	0	108.8	E373 L377 N501 L526 K529 W530	L369-E373 HydrophobicContact CB-CB 4.18Å; L369-E373 HydrophobicContact CD2-CB 4.35Å; L369-E373 HydrophobicContact CG-CB 4.47Å; L369-L377 HydrophobicContact CD2-CD2 3.91Å; L369-N501 PolarHBondContact O-ND2 3.29Å; L369-L526 HydrophobicContact CD2-CD2 4.39Å; L369-K529 HydrophobicContact CD1-CD 4.37Å; L369-K529 HydrophobicContact CD1-CG 3.99Å; L369-K529 HydrophobicContact CG-CD 4.42Å; L369-W530 HydrophobicContact CD1-CB 3.96Å; L369-W530 HydrophobicContact CD2-CB 4.16Å
370	S	95.4	Very high	93.9	Very high	47 Å²	47	63.6 Å²	63.6	33%	0.329	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61.9	162.4	164.4	58.1	0	0	0	0	110.9	E372 E373 Y374	S370-E372 PolarHBondContact O-N 3.06Å; S370-E373 PolarHBondContact N-OE2 3.05Å; S370-E373 PolarHBondContact O-N 3.05Å; S370-E373 VanDerWaalsContact OG-CB 3.26Å; S370-E373 WeakPolarHBondContact OG-CB 3.48Å; S370-E373 VanDerWaalsContact OG-CD 3.23Å; S370-E373 WeakPolarHBondContact OG-CG 3.2Å; S370-E373 PolarHBondContact OG-N 3.06Å; S370-E373 PolarHBondContact OG-OE2 3.08Å; S370-Y374 WeakPolarHBondContact O-CB 3.05Å; S370-Y374 PolarHBondContact O-N 3.46Å
371	A	95.1	Very high	93.6	Very high	70 Å²	70	61.3 Å²	61.3	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-60	-38	179.3	0	0	0	0	0	111.5	Q375	A371-Q375 VanDerWaalsContact O-CB 3.31Å; A371-Q375 WeakPolarHBondContact O-CB 3.42Å; A371-Q375 PolarHBondContact O-N 3.21Å
372	E	95.2	Very high	93.3	Very high	141 Å²	141	60 Å²	60	66%	0.659	30%	0.304	S	S	*	.	H	α-helix	trans	-69.5	-45.8	178.8	-59.6	73.6	-160.8	0	0	111.5	S370 Y374 Q375 K376	S370-E372 PolarHBondContact O-N 3.06Å; E372-Y374 VanDerWaalsContact C-N 3.34Å; E372-Q375 PolarHBondContact O-N 3.49Å; E372-K376 WeakPolarHBondContact O-CB 3.5Å; E372-K376 PolarHBondContact O-N 3.09Å
373	E	94.5	Very high	92.8	Very high	64 Å²	64	62 Å²	62	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-44.6	175.1	-76.6	171.8	137.3	0	0	111.5	L369 S370 K376 L377 L526 K529	L369-E373 HydrophobicContact CB-CB 4.18Å; L369-E373 HydrophobicContact CD2-CB 4.35Å; L369-E373 HydrophobicContact CG-CB 4.47Å; S370-E373 PolarHBondContact N-OE2 3.05Å; S370-E373 PolarHBondContact O-N 3.05Å; S370-E373 VanDerWaalsContact OG-CB 3.26Å; S370-E373 WeakPolarHBondContact OG-CB 3.48Å; S370-E373 VanDerWaalsContact OG-CD 3.23Å; S370-E373 WeakPolarHBondContact OG-CG 3.2Å; S370-E373 PolarHBondContact OG-N 3.06Å; S370-E373 PolarHBondContact OG-OE2 3.08Å; E373-K376 PolarHBondContact O-N 2.65Å; E373-L377 WeakPolarHBondContact O-CB 2.9Å; E373-L377 PolarHBondContact O-N 3.11Å; E373-L526 HydrophobicContact CB-CD1 4.28Å; E373-L526 HydrophobicContact CB-CD2 3.85Å; E373-L526 HydrophobicContact CG-CD1 4.47Å; E373-L526 HydrophobicContact CG-CD2 3.79Å; E373-K529 IonicContact OE2-NZ 2.78Å
374	Y	95.4	Very high	92	Very high	15 Å²	15	56.1 Å²	56.1	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-45.6	179.2	-176.9	-93.1	0	0	0	111.4	S370 E372 K376 L377 K378 L497 G500 N501	S370-Y374 WeakPolarHBondContact O-CB 3.05Å; S370-Y374 PolarHBondContact O-N 3.46Å; E372-Y374 VanDerWaalsContact C-N 3.34Å; Y374-K376 PolarHBondContact O-N 2.61Å; Y374-L377 PolarHBondContact O-N 3.5Å; Y374-K378 HydrophobicContact CE1-CD 4.18Å; Y374-K378 VanDerWaalsContact O-CB 3.3Å; Y374-K378 WeakPolarHBondContact O-CB 3.45Å; Y374-K378 PolarHBondContact O-N 3.46Å; Y374-L497 HydrophobicContact CE2-CD2 3.98Å; Y374-L497 VanDerWaalsContact OH-C 3.27Å; Y374-L497 WeakPolarHBondContact OH-CA 3.23Å; Y374-L497 PolarHBondContact OH-O 2.81Å; Y374-G500 VanDerWaalsContact CZ-C 3.44Å; Y374-G500 WeakPolarHBondContact OH-CA 3.36Å; Y374-G500 PolarHBondContact OH-O 3.4Å; Y374-N501 HydrophobicContact CD1-CB 4.19Å; Y374-N501 HydrophobicContact CD2-CB 3.63Å; Y374-N501 VanDerWaalsContact CD2-CG 3.5Å; Y374-N501 WeakPolarHBondContact CD2-OD1 3.41Å; Y374-N501 HydrophobicContact CE1-CB 4.37Å; Y374-N501 HydrophobicContact CE2-CB 3.81Å; Y374-N501 HydrophobicContact CG-CB 3.83Å; Y374-N501 PolarHBondContact OH-N 3.42Å
375	Q	94.6	Very high	91	Very high	85 Å²	85	55.8 Å²	55.8	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-43.7	178.5	-173.7	55.8	45.9	0	0	111.2	A371 E372 L377 K378 D379	A371-Q375 VanDerWaalsContact O-CB 3.31Å; A371-Q375 WeakPolarHBondContact O-CB 3.42Å; A371-Q375 PolarHBondContact O-N 3.21Å; E372-Q375 PolarHBondContact O-N 3.49Å; Q375-L377 PolarHBondContact O-N 3.26Å; Q375-K378 PolarHBondContact O-N 3.47Å; Q375-D379 PolarHBondContact NE2-OD1 3.22Å; Q375-D379 PolarHBondContact NE2-OD2 3.29Å; Q375-D379 VanDerWaalsContact O-CG 3.32Å; Q375-D379 PolarHBondContact O-N 3.4Å
376	K	93.2	Very high	90	Very high	91 Å²	91	52.9 Å²	52.9	40%	0.396	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-45.8	174.8	-178	179.8	177.4	-178.2	0	112.1	E372 E373 Y374 R380 L526	E372-K376 WeakPolarHBondContact O-CB 3.5Å; E372-K376 PolarHBondContact O-N 3.09Å; E373-K376 PolarHBondContact O-N 2.65Å; Y374-K376 PolarHBondContact O-N 2.61Å; K376-R380 VanDerWaalsContact O-CG 3.28Å; K376-R380 WeakPolarHBondContact O-CG 3.38Å; K376-R380 PolarHBondContact O-N 2.84Å; K376-L526 HydrophobicContact CD-CD1 4.34Å
377	L	92.6	Very high	89	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-48.4	176.6	175.1	63.9	0	0	0	110.8	L369 E373 Y374 Q375 D379 R380 V381 L497 T523 L526 F527 W530	L369-L377 HydrophobicContact CD2-CD2 3.91Å; E373-L377 WeakPolarHBondContact O-CB 2.9Å; E373-L377 PolarHBondContact O-N 3.11Å; Y374-L377 PolarHBondContact O-N 3.5Å; Q375-L377 PolarHBondContact O-N 3.26Å; L377-D379 PolarHBondContact O-N 3Å; L377-R380 PolarHBondContact O-N 3.37Å; L377-V381 HydrophobicContact CD1-CG2 3.78Å; L377-V381 HydrophobicContact CG-CG2 4.25Å; L377-V381 WeakPolarHBondContact O-CG2 3.47Å; L377-V381 PolarHBondContact O-N 3.26Å; L377-L497 HydrophobicContact CD2-CD2 4.42Å; L377-T523 HydrophobicContact CD1-CG2 4.29Å; L377-L526 HydrophobicContact CB-CB 4.35Å; L377-L526 HydrophobicContact CD1-CB 4.27Å; L377-F527 HydrophobicContact CD1-CB 3.8Å; L377-F527 HydrophobicContact CD1-CD2 4.18Å; L377-W530 HydrophobicContact CD2-CB 3.38Å; L377-W530 HydrophobicContact CD2-CD2 4.27Å; L377-W530 HydrophobicContact CD2-CG 3.65Å
378	K	92.7	Very high	87.7	Confident	46 Å²	46	55.9 Å²	55.9	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-55.8	-52	179.7	179.4	177.1	177.9	174.4	0	110.8	Y374 Q375 R380 V381 M382 L497	Y374-K378 HydrophobicContact CE1-CD 4.18Å; Y374-K378 VanDerWaalsContact O-CB 3.3Å; Y374-K378 WeakPolarHBondContact O-CB 3.45Å; Y374-K378 PolarHBondContact O-N 3.46Å; Q375-K378 PolarHBondContact O-N 3.47Å; K378-R380 VanDerWaalsContact C-N 3.3Å; K378-R380 PolarHBondContact O-N 3.39Å; K378-V381 PolarHBondContact O-N 3.27Å; K378-M382 HydrophobicContact CG-CE 4.25Å; K378-M382 HydrophobicContact CG-CG 4.2Å; K378-M382 VanDerWaalsContact O-CB 3.32Å; K378-M382 WeakPolarHBondContact O-CB 2.9Å; K378-M382 WeakPolarHBondContact O-CG 3.47Å; K378-M382 PolarHBondContact O-N 2.87Å; K378-L497 HydrophobicContact CG-CB 4.46Å
379	D	90.9	Very high	86	Confident	74 Å²	74	60.6 Å²	60.6	40%	0.396	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-40.2	-177.9	-67.2	-27.2	0	0	0	112.1	Q375 L377 M382 N383	Q375-D379 PolarHBondContact NE2-OD1 3.22Å; Q375-D379 PolarHBondContact NE2-OD2 3.29Å; Q375-D379 VanDerWaalsContact O-CG 3.32Å; Q375-D379 PolarHBondContact O-N 3.4Å; L377-D379 PolarHBondContact O-N 3Å; D379-M382 PolarHBondContact O-N 3.12Å; D379-N383 WeakPolarHBondContact O-CB 3.41Å; D379-N383 VanDerWaalsContact O-CG 3.22Å; D379-N383 PolarHBondContact O-N 3Å; D379-N383 PolarHBondContact O-ND2 3.03Å
380	R	89.3	Confident	84.1	Confident	106 Å²	106	65.5 Å²	65.5	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-66.2	-48.3	176.9	-70.9	-70.6	-177.3	-177.2	0.2	112.6	K376 L377 K378 M382 N383 D384 T523	K376-R380 VanDerWaalsContact O-CG 3.28Å; K376-R380 WeakPolarHBondContact O-CG 3.38Å; K376-R380 PolarHBondContact O-N 2.84Å; L377-R380 PolarHBondContact O-N 3.37Å; K378-R380 VanDerWaalsContact C-N 3.3Å; K378-R380 PolarHBondContact O-N 3.39Å; R380-M382 VanDerWaalsContact C-N 3.29Å; R380-M382 PolarHBondContact O-N 3Å; R380-N383 PolarHBondContact O-N 2.89Å; R380-D384 WeakPolarHBondContact CD-OD2 2.96Å; R380-D384 IonicContact NH1-OD2 3.15Å; R380-D384 WeakPolarHBondContact O-CB 3.41Å; R380-D384 PolarHBondContact O-N 3.23Å; R380-T523 HydrophobicContact CB-CG2 3.57Å; R380-T523 HydrophobicContact CG-CG2 3.87Å
381	V	86.8	Confident	82.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.308	C	S	.	.	I	π-helix	trans	-62.9	-39.2	178	173.5	0	0	0	0	110.8	L377 K378 I385 I386 L493 L497 L518 F527	L377-V381 HydrophobicContact CD1-CG2 3.78Å; L377-V381 HydrophobicContact CG-CG2 4.25Å; L377-V381 WeakPolarHBondContact O-CG2 3.47Å; L377-V381 PolarHBondContact O-N 3.26Å; K378-V381 PolarHBondContact O-N 3.27Å; V381-I385 HydrophobicContact CB-CD1 4.33Å; V381-I385 HydrophobicContact CG1-CB 4.29Å; V381-I385 HydrophobicContact CG1-CD1 3.92Å; V381-I385 HydrophobicContact CG2-CD1 4.14Å; V381-I385 WeakPolarHBondContact O-CA 3.34Å; V381-I385 WeakPolarHBondContact O-CB 3.19Å; V381-I385 PolarHBondContact O-N 3.48Å; V381-I385 VanDerWaalsContact O-N 3.11Å; V381-I386 HydrophobicContact CG1-CD1 4.26Å; V381-I386 PolarHBondContact O-N 3.12Å; V381-L493 HydrophobicContact CG1-CB 4.31Å; V381-L493 HydrophobicContact CG1-CD1 4.27Å; V381-L497 HydrophobicContact CB-CD1 3.62Å; V381-L497 HydrophobicContact CG1-CD1 3.39Å; V381-L497 HydrophobicContact CG2-CD1 3.94Å; V381-L518 HydrophobicContact CG2-CD2 4.42Å; V381-F527 HydrophobicContact CG2-CD2 3.99Å; V381-F527 HydrophobicContact CG2-CE2 4.36Å
382	M	87.1	Confident	80.2	Confident	21 Å²	21	65 Å²	65	10%	0.103	30%	0.3	C	S	.	.	I	π-helix	trans	-64.6	-40.4	178.5	-67.1	-72.7	170	0	0	112.6	K378 D379 R380 I386 Q387 Y494 L497 H498	K378-M382 HydrophobicContact CG-CE 4.25Å; K378-M382 HydrophobicContact CG-CG 4.2Å; K378-M382 VanDerWaalsContact O-CB 3.32Å; K378-M382 WeakPolarHBondContact O-CB 2.9Å; K378-M382 WeakPolarHBondContact O-CG 3.47Å; K378-M382 PolarHBondContact O-N 2.87Å; D379-M382 PolarHBondContact O-N 3.12Å; R380-M382 VanDerWaalsContact C-N 3.29Å; R380-M382 PolarHBondContact O-N 3Å; M382-I386 HydrophobicContact CE-CD1 4.23Å; M382-I386 WeakPolarHBondContact O-CB 3.1Å; M382-I386 HydrophobicContact SD-CD1 3.57Å; M382-I386 VanDerWaalsContact SD-CD1 3.57Å; M382-Q387 WeakPolarHBondContact O-CG 3.2Å; M382-Q387 PolarHBondContact O-N 3.11Å; M382-Q387 VanDerWaalsContact O-N 3.08Å; M382-Y494 HydrophobicContact CE-CD2 3.75Å; M382-Y494 HydrophobicContact CE-CE2 4.13Å; M382-Y494 HydrophobicContact CE-CG 4.41Å; M382-Y494 HydrophobicContact SD-CD2 3.44Å; M382-Y494 WeakPolarHBondContact SD-CD2 3.49Å; M382-Y494 HydrophobicContact SD-CE2 3.74Å; M382-L497 HydrophobicContact CE-CB 3.87Å; M382-H498 HydrophobicContact CE-CB 4.43Å
383	N	84.8	Confident	78.2	Confident	84 Å²	84	63.7 Å²	63.7	45%	0.449	30%	0.298	S	S	.	.	I	π-helix	trans	-84.4	-45	-177.6	-66.6	-23.4	0	0	0	112.8	D379 R380 Q387 G388	D379-N383 WeakPolarHBondContact O-CB 3.41Å; D379-N383 VanDerWaalsContact O-CG 3.22Å; D379-N383 PolarHBondContact O-N 3Å; D379-N383 PolarHBondContact O-ND2 3.03Å; R380-N383 PolarHBondContact O-N 2.89Å; N383-Q387 CarbonylContact O-C 3.54Å; N383-G388 PolarHBondContact O-N 2.97Å
384	D	77.3	Confident	76.5	Confident	50 Å²	50	66.7 Å²	66.7	27%	0.267	31%	0.31	S	S	.	.	I	π-helix	trans	-88.8	-36.8	-168.1	-58.1	-28	0	0	0	111.8	R380 G388 P519	R380-D384 WeakPolarHBondContact CD-OD2 2.96Å; R380-D384 IonicContact NH1-OD2 3.15Å; R380-D384 WeakPolarHBondContact O-CB 3.41Å; R380-D384 PolarHBondContact O-N 3.23Å; D384-G388 WeakPolarHBondContact O-CA 3.05Å; D384-P519 WeakPolarHBondContact OD2-CD 3.27Å
385	I	75	Confident	75.2	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.036	31%	0.308	C	S	.	.	I	π-helix	trans	-92.2	-62.4	177.8	-62.9	164.2	0	0	0	108.9	V381 G388 V391 L493 H514 C517 L518	V381-I385 HydrophobicContact CB-CD1 4.33Å; V381-I385 HydrophobicContact CG1-CB 4.29Å; V381-I385 HydrophobicContact CG1-CD1 3.92Å; V381-I385 HydrophobicContact CG2-CD1 4.14Å; V381-I385 WeakPolarHBondContact O-CA 3.34Å; V381-I385 WeakPolarHBondContact O-CB 3.19Å; V381-I385 PolarHBondContact O-N 3.48Å; V381-I385 VanDerWaalsContact O-N 3.11Å; I385-G388 PolarHBondContact O-N 2.86Å; I385-V391 WeakPolarHBondContact O-CG2 3.44Å; I385-L493 HydrophobicContact CD1-CD1 4.32Å; I385-L493 HydrophobicContact CG2-CD1 4.01Å; I385-H514 HydrophobicContact CD1-CB 4.01Å; I385-C517 HydrophobicContact CG1-CB 4.17Å; I385-L518 HydrophobicContact CD1-CD2 3.81Å; I385-L518 HydrophobicContact CD1-CG 4.14Å; I385-L518 HydrophobicContact CG1-CD2 4.26Å
386	I	75.4	Confident	74.3	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	31%	0.308	C	S	.	.	I	π-helix	trans	-73.2	-37.5	-167.1	-64	162.3	0	0	0	112.9	V381 M382 L400 Y494	V381-I386 HydrophobicContact CG1-CD1 4.26Å; V381-I386 PolarHBondContact O-N 3.12Å; M382-I386 HydrophobicContact CE-CD1 4.23Å; M382-I386 WeakPolarHBondContact O-CB 3.1Å; M382-I386 HydrophobicContact SD-CD1 3.57Å; M382-I386 VanDerWaalsContact SD-CD1 3.57Å; I386-L400 HydrophobicContact CG2-CD1 4.27Å; I386-L400 HydrophobicContact CG2-CD2 4.09Å; I386-Y494 HydrophobicContact CD1-CD2 3.99Å; I386-Y494 HydrophobicContact CD1-CG 4.36Å; I386-Y494 HydrophobicContact CG2-CD2 4.49Å
387	Q	72.3	Confident	73.6	Confident	112 Å²	112	63.6 Å²	63.6	52%	0.523	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	3.1	175.2	-63.2	173.7	29.4	0	0	112.8	M382 N383	M382-Q387 WeakPolarHBondContact O-CG 3.2Å; M382-Q387 PolarHBondContact O-N 3.11Å; M382-Q387 VanDerWaalsContact O-N 3.08Å; N383-Q387 CarbonylContact O-C 3.54Å
388	G	66.6	Low	73.2	Confident	14 Å²	14	70.1 Å²	70.1	14%	0.144	34%	0.337	C	S	.	.	S	Bend	trans	-65	159.5	-179.7	0	0	0	0	0	112.8	N383 D384 I385 D390 V391	N383-G388 PolarHBondContact O-N 2.97Å; D384-G388 WeakPolarHBondContact O-CA 3.05Å; I385-G388 PolarHBondContact O-N 2.86Å; G388-D390 PolarHBondContact O-N 2.64Å; G388-D390 VanDerWaalsContact O-N 3.11Å; G388-V391 PolarHBondContact O-N 3.4Å
389	R	57.8	Low	72.9	Confident	238 Å²	238	68.9 Å²	68.9	90%	0.898	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.4	-177.2	-65.3	-177.3	-176.4	-178.8	0.5	113.6
390	D	55.2	Low	72.7	Confident	110 Å²	110	65.4 Å²	65.4	59%	0.588	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-21.4	-173.2	-74.5	-35.6	0	0	0	115.3	G388 F392 N393	G388-D390 PolarHBondContact O-N 2.64Å; G388-D390 VanDerWaalsContact O-N 3.11Å; D390-F392 PolarHBondContact O-N 3.34Å; D390-N393 WeakPolarHBondContact O-CB 3.04Å; D390-N393 PolarHBondContact O-N 3.39Å; D390-N393 VanDerWaalsContact O-N 3.12Å; D390-N393 PolarHBondContact OD1-ND2 3.01Å
391	V	53.9	Low	72.6	Confident	10 Å²	10	65.2 Å²	65.2	6%	0.061	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-63.3	-31.5	178.4	169.4	0	0	0	0	111.8	I385 G388 N393 T395 L400 P490	I385-V391 WeakPolarHBondContact O-CG2 3.44Å; G388-V391 PolarHBondContact O-N 3.4Å; V391-N393 PolarHBondContact O-N 3.21Å; V391-T395 PolarHBondContact O-N 3.45Å; V391-T395 VanDerWaalsContact O-N 3.17Å; V391-L400 HydrophobicContact CG1-CD2 4.2Å; V391-P490 HydrophobicContact CG1-CB 4.43Å; V391-P490 HydrophobicContact CG1-CG 4.36Å; V391-P490 HydrophobicContact CG2-CB 4.45Å; V391-P490 HydrophobicContact CG2-CG 4.08Å
392	F	52.7	Low	72.9	Confident	96 Å²	96	68.5 Å²	68.5	42%	0.421	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-78.6	-4	179.7	-57.1	-64.6	0	0	0	114.2	D390 K394 P397	D390-F392 PolarHBondContact O-N 3.34Å; F392-K394 VanDerWaalsContact C-N 3.28Å; F392-K394 PolarHBondContact O-N 2.99Å; F392-P397 HydrophobicContact CD1-CB 4.17Å; F392-P397 HydrophobicContact CD1-CG 3.6Å; F392-P397 HydrophobicContact CE1-CB 3.83Å; F392-P397 HydrophobicContact CE1-CG 3.77Å
393	N	53.8	Low	73.1	Confident	114 Å²	114	67.5 Å²	67.5	61%	0.61	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-75.6	-18.7	177.4	-69.6	-27.8	0	0	0	112.4	D390 V391	D390-N393 WeakPolarHBondContact O-CB 3.04Å; D390-N393 PolarHBondContact O-N 3.39Å; D390-N393 VanDerWaalsContact O-N 3.12Å; D390-N393 PolarHBondContact OD1-ND2 3.01Å; V391-N393 PolarHBondContact O-N 3.21Å
394	K	59	Low	73.5	Confident	126 Å²	126	64.5 Å²	64.5	55%	0.548	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-17.1	-178.9	-60.9	-172.5	-157.4	147.4	0	116	F392 E487	F392-K394 VanDerWaalsContact C-N 3.28Å; F392-K394 PolarHBondContact O-N 2.99Å; K394-E487 HydrophobicContact CB-CG 4.06Å; K394-E487 HydrophobicContact CD-CG 4.07Å; K394-E487 WeakPolarHBondContact CD-OE1 3.44Å; K394-E487 WeakPolarHBondContact CE-OE1 3.3Å; K394-E487 IonicContact NZ-OE1 3.01Å; K394-E487 PolarHBondContact NZ-OE1 2.83Å
395	T	68.2	Low	74.3	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.025	32%	0.321	C	S	.	.	S	Bend	trans	-111.3	136.1	175.9	-58.2	0	0	0	0	109.5	V391 E487 F491	V391-T395 PolarHBondContact O-N 3.45Å; V391-T395 VanDerWaalsContact O-N 3.17Å; T395-E487 PolarHBondContact OG1-N 3Å; T395-E487 VanDerWaalsContact OG1-N 3.16Å; T395-F491 HydrophobicContact CG2-CE2 3.75Å; T395-F491 HydrophobicContact CG2-CZ 3.46Å; T395-F491 VanDerWaalsContact CG2-CZ 3.46Å
396	T	75.1	Confident	75.3	Confident	65 Å²	65	65.7 Å²	65.7	40%	0.399	33%	0.328	S	S	.	.			trans	-75.9	139	179.4	63.1	0	0	0	0	110.9	E398 E399 L400	T396-E398 WeakPolarHBondContact CB-OE2 3.47Å; T396-E398 PolarHBondContact O-N 3.14Å; T396-E399 PolarHBondContact O-N 2.72Å; T396-E399 VanDerWaalsContact O-N 3.15Å; T396-E399 VanDerWaalsContact OG1-CB 3.24Å; T396-E399 WeakPolarHBondContact OG1-CB 3.2Å; T396-E399 PolarHBondContact OG1-N 2.97Å; T396-L400 PolarHBondContact O-N 3.36Å; T396-L400 VanDerWaalsContact O-N 3.16Å
397	P	79.4	Confident	76.3	Confident	58 Å²	58	65.8 Å²	65.8	38%	0.377	33%	0.329	S	S	.	.	H	α-helix	trans	-52.8	-37.7	175.6	-21.2	26.9	0	0	0	113	F392 L400 E401	F392-P397 HydrophobicContact CD1-CB 4.17Å; F392-P397 HydrophobicContact CD1-CG 3.6Å; F392-P397 HydrophobicContact CE1-CB 3.83Å; F392-P397 HydrophobicContact CE1-CG 3.77Å; P397-L400 PolarHBondContact O-N 3.15Å; P397-E401 WeakPolarHBondContact O-CG 3.5Å; P397-E401 PolarHBondContact O-N 3.24Å
398	E	84.6	Confident	77.3	Confident	136 Å²	136	67 Å²	67	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-66.6	-40	-178.8	-59.9	73.3	-157.6	0	0	111.9	T396 S402	T396-E398 WeakPolarHBondContact CB-OE2 3.47Å; T396-E398 PolarHBondContact O-N 3.14Å; E398-S402 VanDerWaalsContact O-CB 3.26Å; E398-S402 WeakPolarHBondContact O-CB 3.27Å; E398-S402 PolarHBondContact O-N 3.03Å
399	E	86.4	Confident	78.7	Confident	20 Å²	20	76.5 Å²	76.5	9%	0.093	36%	0.364	C	S	.	.	H	α-helix	trans	-66.1	-42.4	176.4	-177.2	175.9	-128.2	0	0	110.9	T396 S402 F403 T482 E483 S486 F491	T396-E399 PolarHBondContact O-N 2.72Å; T396-E399 VanDerWaalsContact O-N 3.15Å; T396-E399 VanDerWaalsContact OG1-CB 3.24Å; T396-E399 WeakPolarHBondContact OG1-CB 3.2Å; T396-E399 PolarHBondContact OG1-N 2.97Å; E399-S402 PolarHBondContact O-N 2.71Å; E399-F403 WeakPolarHBondContact O-CB 3.27Å; E399-F403 PolarHBondContact O-N 3.16Å; E399-T482 WeakPolarHBondContact OE1-CA 3.46Å; E399-T482 WeakPolarHBondContact OE1-CB 3.39Å; E399-E483 PolarHBondContact OE1-N 3.17Å; E399-S486 WeakPolarHBondContact OE2-CB 3.34Å; E399-S486 PolarHBondContact OE2-OG 2.88Å; E399-F491 HydrophobicContact CG-CE1 4.18Å; E399-F491 HydrophobicContact CG-CZ 3.97Å
400	L	85.3	Confident	80.4	Confident	2 Å²	2	69 Å²	69	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-46	176.8	-178.4	61.8	0	0	0	111.6	I386 V391 T396 P397 F403 K404 F491	I386-L400 HydrophobicContact CG2-CD1 4.27Å; I386-L400 HydrophobicContact CG2-CD2 4.09Å; V391-L400 HydrophobicContact CG1-CD2 4.2Å; T396-L400 PolarHBondContact O-N 3.36Å; T396-L400 VanDerWaalsContact O-N 3.16Å; P397-L400 PolarHBondContact O-N 3.15Å; L400-F403 WeakPolarHBondContact O-CB 3.46Å; L400-F403 PolarHBondContact O-N 3.2Å; L400-K404 WeakPolarHBondContact O-CG 3.45Å; L400-K404 PolarHBondContact O-N 2.74Å; L400-F491 HydrophobicContact CD1-CE1 4.43Å
401	E	88.2	Confident	82.2	Confident	101 Å²	101	67 Å²	67	47%	0.472	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-38.6	178.1	-72.1	-53.3	129.5	0	0	112.5	P397 F403 K404 A405	P397-E401 WeakPolarHBondContact O-CG 3.5Å; P397-E401 PolarHBondContact O-N 3.24Å; E401-F403 VanDerWaalsContact C-N 3.29Å; E401-F403 PolarHBondContact O-N 2.59Å; E401-K404 PolarHBondContact O-N 3.32Å; E401-K404 WeakPolarHBondContact OE1-CD 3.4Å; E401-K404 IonicContact OE1-NZ 3.63Å; E401-K404 PolarHBondContact OE1-NZ 3.45Å; E401-A405 WeakPolarHBondContact O-CB 3.46Å; E401-A405 PolarHBondContact O-N 2.73Å
402	S	92.1	Very high	84.2	Confident	70 Å²	70	68.8 Å²	68.8	49%	0.49	35%	0.347	S	S	.	.	H	α-helix	trans	-57.4	-43.9	171.7	-179.2	0	0	0	0	111.4	E398 E399 A405 F406	E398-S402 VanDerWaalsContact O-CB 3.26Å; E398-S402 WeakPolarHBondContact O-CB 3.27Å; E398-S402 PolarHBondContact O-N 3.03Å; E399-S402 PolarHBondContact O-N 2.71Å; S402-A405 PolarHBondContact O-N 3.06Å; S402-F406 WeakPolarHBondContact O-CB 3.48Å; S402-F406 PolarHBondContact O-N 3.02Å
403	F	92.9	Very high	86.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-45.5	175.9	179.6	-111	0	0	0	113.1	E399 L400 E401 A405 F406 V407 L451 L453 F480 F491 Y494 A495	E399-F403 WeakPolarHBondContact O-CB 3.27Å; E399-F403 PolarHBondContact O-N 3.16Å; L400-F403 WeakPolarHBondContact O-CB 3.46Å; L400-F403 PolarHBondContact O-N 3.2Å; E401-F403 VanDerWaalsContact C-N 3.29Å; E401-F403 PolarHBondContact O-N 2.59Å; F403-A405 VanDerWaalsContact C-N 3.26Å; F403-A405 PolarHBondContact O-N 2.9Å; F403-F406 HydrophobicContact CD2-CD1 4.43Å; F403-F406 HydrophobicContact CE2-CD1 4.47Å; F403-F406 WeakPolarHBondContact O-CB 3.46Å; F403-F406 PolarHBondContact O-N 2.73Å; F403-F406 VanDerWaalsContact O-N 3.08Å; F403-V407 HydrophobicContact CD1-CG2 4.24Å; F403-V407 HydrophobicContact CD2-CG2 4.28Å; F403-V407 HydrophobicContact CE1-CG2 3.84Å; F403-V407 HydrophobicContact CE2-CG2 3.88Å; F403-V407 HydrophobicContact CG-CG2 4.48Å; F403-V407 HydrophobicContact CZ-CG2 3.67Å; F403-V407 WeakPolarHBondContact O-CG2 3.31Å; F403-V407 PolarHBondContact O-N 3Å; F403-L451 HydrophobicContact CE2-CD2 4.29Å; F403-L451 HydrophobicContact CZ-CD2 4.29Å; F403-L453 HydrophobicContact CE2-CD2 3.54Å; F403-L453 HydrophobicContact CZ-CD2 3.76Å; F403-F480 HydrophobicContact CB-CE1 3.92Å; F403-F480 HydrophobicContact CB-CE2 4.21Å; F403-F480 HydrophobicContact CB-CZ 3.7Å; F403-F480 HydrophobicContact CD2-CB 4.17Å; F403-F480 AromaticContact CD2-CD1 3.48Å; F403-F480 HydrophobicContact CD2-CD1 3.48Å; F403-F480 VanDerWaalsContact CD2-CD1 3.48Å; F403-F480 AromaticContact CD2-CD2 3.77Å; F403-F480 HydrophobicContact CD2-CD2 3.77Å; F403-F480 AromaticContact CD2-CE1 3.68Å; F403-F480 HydrophobicContact CD2-CE1 3.68Å; F403-F480 AromaticContact CD2-CE2 3.95Å; F403-F480 HydrophobicContact CD2-CE2 3.95Å; F403-F480 AromaticContact CD2-CG 3.53Å; F403-F480 HydrophobicContact CD2-CG 3.53Å; F403-F480 AromaticContact CD2-CZ 3.91Å; F403-F480 HydrophobicContact CD2-CZ 3.91Å; F403-F480 HydrophobicContact CE2-CB 4.04Å; F403-F480 HydrophobicContact CE2-CD1 4.01Å; F403-F480 HydrophobicContact CE2-CD2 4.44Å; F403-F480 AromaticContact CE2-CG 3.92Å; F403-F480 HydrophobicContact CE2-CG 3.92Å; F403-F480 HydrophobicContact CG-CD1 4.42Å; F403-F480 HydrophobicContact CG-CE1 4.22Å; F403-F480 HydrophobicContact CG-CZ 4.32Å; F403-F491 HydrophobicContact CB-CD1 3.77Å; F403-F491 HydrophobicContact CB-CE1 3.8Å; F403-F491 HydrophobicContact CD1-CB 4.31Å; F403-F491 AromaticContact CD1-CD1 3.49Å; F403-F491 HydrophobicContact CD1-CD1 3.49Å; F403-F491 VanDerWaalsContact CD1-CD1 3.49Å; F403-F491 HydrophobicContact CD1-CE1 4.3Å; F403-F491 HydrophobicContact CD1-CG 4.35Å; F403-F491 HydrophobicContact CD2-CD1 4Å; F403-F491 HydrophobicContact CE1-CB 3.86Å; F403-F491 AromaticContact CE1-CD1 3.93Å; F403-F491 HydrophobicContact CE1-CD1 3.93Å; F403-F491 HydrophobicContact CE1-CG 4.39Å; F403-F491 VanDerWaalsContact CE1-O 3.26Å; F403-F491 WeakPolarHBondContact CE1-O 3.19Å; F403-F491 HydrophobicContact CE2-CD1 4.41Å; F403-F491 AromaticContact CG-CD1 3.48Å; F403-F491 HydrophobicContact CG-CD1 3.48Å; F403-F491 VanDerWaalsContact CG-CD1 3.48Å; F403-F491 HydrophobicContact CG-CE1 4.06Å; F403-F491 HydrophobicContact CZ-CB 3.95Å; F403-F491 HydrophobicContact CZ-CD1 4.34Å; F403-F491 WeakPolarHBondContact CZ-O 3.49Å; F403-Y494 HydrophobicContact CD1-CD1 4.02Å; F403-Y494 AromaticContact CE1-CD1 3.75Å; F403-Y494 HydrophobicContact CE1-CD1 3.75Å; F403-Y494 HydrophobicContact CE1-CG 4.39Å; F403-A495 HydrophobicContact CE1-CB 4.26Å; F403-A495 HydrophobicContact CZ-CB 3.82Å
404	K	92.1	Very high	88.3	Confident	20 Å²	20	60.7 Å²	60.7	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-42.6	176.2	-70.3	-179.9	-174.5	161.2	0	111	L400 E401 V407 K408 Y494	L400-K404 WeakPolarHBondContact O-CG 3.45Å; L400-K404 PolarHBondContact O-N 2.74Å; E401-K404 PolarHBondContact O-N 3.32Å; E401-K404 WeakPolarHBondContact OE1-CD 3.4Å; E401-K404 IonicContact OE1-NZ 3.63Å; E401-K404 PolarHBondContact OE1-NZ 3.45Å; K404-V407 PolarHBondContact O-N 2.55Å; K404-K408 WeakPolarHBondContact O-CB 3.39Å; K404-K408 VanDerWaalsContact O-CG 3.25Å; K404-K408 WeakPolarHBondContact O-CG 3.32Å; K404-K408 PolarHBondContact O-N 3.43Å; K404-Y494 HydrophobicContact CB-CE1 4.2Å; K404-Y494 HydrophobicContact CD-CE2 4.12Å; K404-Y494 HydrophobicContact CG-CD1 4.38Å; K404-Y494 HydrophobicContact CG-CD2 4.24Å; K404-Y494 HydrophobicContact CG-CE1 3.91Å; K404-Y494 HydrophobicContact CG-CE2 3.75Å
405	A	94.7	Very high	90.2	Very high	38 Å²	38	55 Å²	55	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-39.6	175.7	0	0	0	0	0	112.1	E401 S402 F403 R409	E401-A405 WeakPolarHBondContact O-CB 3.46Å; E401-A405 PolarHBondContact O-N 2.73Å; S402-A405 PolarHBondContact O-N 3.06Å; F403-A405 VanDerWaalsContact C-N 3.26Å; F403-A405 PolarHBondContact O-N 2.9Å; A405-R409 VanDerWaalsContact O-CG 3.29Å; A405-R409 WeakPolarHBondContact O-CG 3.46Å; A405-R409 PolarHBondContact O-N 3.32Å
406	F	95.8	Very high	91.5	Very high	45 Å²	45	54.9 Å²	54.9	20%	0.197	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-52.2	174.3	169.9	-92.3	0	0	0	111.7	S402 F403 K408 R409 K410 F413 L451 H478 F480	S402-F406 WeakPolarHBondContact O-CB 3.48Å; S402-F406 PolarHBondContact O-N 3.02Å; F403-F406 HydrophobicContact CD2-CD1 4.43Å; F403-F406 HydrophobicContact CE2-CD1 4.47Å; F403-F406 WeakPolarHBondContact O-CB 3.46Å; F403-F406 PolarHBondContact O-N 2.73Å; F403-F406 VanDerWaalsContact O-N 3.08Å; F406-K408 PolarHBondContact O-N 3.02Å; F406-R409 PolarHBondContact O-N 3.25Å; F406-K410 HydrophobicContact CZ-CG 4.39Å; F406-K410 WeakPolarHBondContact O-CG 3.07Å; F406-F413 HydrophobicContact CE1-CZ 4.35Å; F406-L451 HydrophobicContact CE1-CD1 3.71Å; F406-L451 HydrophobicContact CZ-CD1 4.16Å; F406-H478 HydrophobicContact CZ-CB 4.37Å; F406-F480 HydrophobicContact CB-CD2 4.09Å; F406-F480 HydrophobicContact CB-CE2 4.06Å; F406-F480 HydrophobicContact CD1-CB 4.46Å; F406-F480 AromaticContact CD1-CD2 3.89Å; F406-F480 HydrophobicContact CD1-CD2 3.89Å; F406-F480 HydrophobicContact CD2-CD2 4.15Å; F406-F480 HydrophobicContact CE1-CB 4.22Å; F406-F480 HydrophobicContact CE1-CD2 4.36Å; F406-F480 AromaticContact CG-CD2 3.78Å; F406-F480 HydrophobicContact CG-CD2 3.78Å; F406-F480 HydrophobicContact CG-CE2 4.25Å
407	V	95.4	Very high	92.5	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-42	-179.2	172.1	0	0	0	0	111.3	F403 K404 R409 K410 F413 Y494 A495 H498	F403-V407 HydrophobicContact CD1-CG2 4.24Å; F403-V407 HydrophobicContact CD2-CG2 4.28Å; F403-V407 HydrophobicContact CE1-CG2 3.84Å; F403-V407 HydrophobicContact CE2-CG2 3.88Å; F403-V407 HydrophobicContact CG-CG2 4.48Å; F403-V407 HydrophobicContact CZ-CG2 3.67Å; F403-V407 WeakPolarHBondContact O-CG2 3.31Å; F403-V407 PolarHBondContact O-N 3Å; K404-V407 PolarHBondContact O-N 2.55Å; V407-R409 PolarHBondContact O-N 2.85Å; V407-K410 PolarHBondContact O-N 3.45Å; V407-K410 VanDerWaalsContact O-N 3.14Å; V407-F413 HydrophobicContact CG1-CE2 4.28Å; V407-F413 HydrophobicContact CG2-CE2 4.44Å; V407-Y494 HydrophobicContact CB-CD1 4.43Å; V407-Y494 HydrophobicContact CB-CE1 3.88Å; V407-Y494 HydrophobicContact CG1-CD1 4.41Å; V407-Y494 HydrophobicContact CG1-CE1 3.9Å; V407-Y494 HydrophobicContact CG2-CD1 4.24Å; V407-Y494 HydrophobicContact CG2-CE1 4.17Å; V407-A495 HydrophobicContact CG2-CB 4.27Å; V407-H498 HydrophobicContact CG1-CB 4.26Å
408	K	94.1	Very high	93.2	Very high	137 Å²	137	49.1 Å²	49.1	60%	0.596	25%	0.247	S	C	*	.	H	α-helix	trans	-64	-24.3	179.2	-75	174.2	-179.5	-179.7	0	114.1	K404 F406 Y494	K404-K408 WeakPolarHBondContact O-CB 3.39Å; K404-K408 VanDerWaalsContact O-CG 3.25Å; K404-K408 WeakPolarHBondContact O-CG 3.32Å; K404-K408 PolarHBondContact O-N 3.43Å; F406-K408 PolarHBondContact O-N 3.02Å; K408-Y494 WeakPolarHBondContact CE-OH 3.35Å
409	R	95.3	Very high	93.6	Very high	214 Å²	214	42.7 Å²	42.7	81%	0.808	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-6.1	178.4	-69.8	175.4	-167.7	-163.7	4.8	113.3	A405 F406 V407	A405-R409 VanDerWaalsContact O-CG 3.29Å; A405-R409 WeakPolarHBondContact O-CG 3.46Å; A405-R409 PolarHBondContact O-N 3.32Å; F406-R409 PolarHBondContact O-N 3.25Å; V407-R409 PolarHBondContact O-N 2.85Å
410	K	93.8	Very high	93.8	Very high	79 Å²	79	42.1 Å²	42.1	34%	0.343	21%	0.214	S	C	.	.	S	Bend	trans	-106.2	156.2	-177.2	-65.7	-64.4	-176.8	-179.7	0	110.3	F406 V407 F413	F406-K410 HydrophobicContact CZ-CG 4.39Å; F406-K410 WeakPolarHBondContact O-CG 3.07Å; V407-K410 PolarHBondContact O-N 3.45Å; V407-K410 VanDerWaalsContact O-N 3.14Å; K410-F413 HydrophobicContact CB-CE1 4.25Å; K410-F413 HydrophobicContact CB-CE2 4.3Å; K410-F413 HydrophobicContact CB-CZ 3.65Å; K410-F413 HydrophobicContact CG-CZ 4.02Å
411	P	93	Very high	94	Very high	70 Å²	70	43.4 Å²	43.4	46%	0.455	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-59	161.6	166.6	28.1	-35.2	0	0	0	110.3	F413 N449	P411-F413 PolarHBondContact O-N 3.47Å; P411-N449 WeakPolarHBondContact CG-OD1 3.42Å
412	A	95.6	Very high	94	Very high	46 Å²	46	38.6 Å²	38.6	38%	0.38	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-56.2	133.7	171	0	0	0	0	0	109.7	N449 S499	A412-N449 WeakPolarHBondContact O-CB 3.21Å; A412-S499 WeakPolarHBondContact CB-O 3.33Å
413	F	97.6	Very high	93.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-82.1	142.2	177.3	-58.4	-72.8	0	0	0	110	F406 V407 K410 P411 V416 N449 L451 H478 S499 C503	F406-F413 HydrophobicContact CE1-CZ 4.35Å; V407-F413 HydrophobicContact CG1-CE2 4.28Å; V407-F413 HydrophobicContact CG2-CE2 4.44Å; K410-F413 HydrophobicContact CB-CE1 4.25Å; K410-F413 HydrophobicContact CB-CE2 4.3Å; K410-F413 HydrophobicContact CB-CZ 3.65Å; K410-F413 HydrophobicContact CG-CZ 4.02Å; P411-F413 PolarHBondContact O-N 3.47Å; F413-V416 HydrophobicContact CB-CG2 4.26Å; F413-N449 HydrophobicContact CD1-CB 4.38Å; F413-L451 HydrophobicContact CD1-CB 3.7Å; F413-L451 HydrophobicContact CD2-CB 4.1Å; F413-L451 HydrophobicContact CD2-CD2 4.08Å; F413-L451 HydrophobicContact CE1-CB 3.76Å; F413-L451 HydrophobicContact CE2-CB 4.17Å; F413-L451 HydrophobicContact CE2-CD2 3.75Å; F413-L451 HydrophobicContact CE2-CG 4.48Å; F413-L451 HydrophobicContact CG-CB 3.87Å; F413-L451 HydrophobicContact CZ-CB 4Å; F413-L451 HydrophobicContact CZ-CD1 4.38Å; F413-L451 HydrophobicContact CZ-CD2 4.06Å; F413-L451 HydrophobicContact CZ-CG 4.38Å; F413-H478 HydrophobicContact CE1-CB 3.95Å; F413-H478 AromaticContact CE1-CD2 3.6Å; F413-S499 WeakPolarHBondContact CD2-OG 3.38Å; F413-S499 PolarHBondContact N-OG 3.41Å; F413-S499 VanDerWaalsContact N-OG 3.16Å; F413-S499 WeakPolarHBondContact O-CB 3.4Å; F413-C503 VanDerWaalsContact O-CB 3.27Å; F413-C503 WeakPolarHBondContact O-CB 2.84Å; F413-C503 PolarHBondContact O-SG 3.31Å
414	D	96.8	Very high	93.7	Very high	41 Å²	41	42.2 Å²	42.2	22%	0.219	20%	0.201	C	C	.	.	S	Bend	trans	-84.2	-34.8	171.9	-58.6	-73.6	0	0	0	110.7	A447 P448 N449 H502 C503 L504	D414-A447 HydrophobicContact CB-CB 3.92Å; D414-P448 WeakPolarHBondContact OD2-CD 3.39Å; D414-P448 VanDerWaalsContact OD2-CG 3.22Å; D414-P448 WeakPolarHBondContact OD2-CG 3.29Å; D414-N449 PolarHBondContact N-O 3.36Å; D414-N449 WeakPolarHBondContact OD2-CB 3.4Å; D414-N449 PolarHBondContact OD2-N 3.29Å; D414-N449 PolarHBondContact OD2-ND2 3.24Å; D414-N449 VanDerWaalsContact OD2-ND2 3.12Å; D414-H502 IonicContact OD1-CD2 2.72Å; D414-C503 WeakPolarHBondContact O-CA 3.43Å; D414-L504 PolarHBondContact O-N 3.5Å
415	V	97	Very high	93.2	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.7	178.7	-173.6	0	0	0	0	111.7	V417 L443 A447 N449 I450 L451 L504 V506 L536	V415-V417 HydrophobicContact CG1-CG2 4.12Å; V415-L443 HydrophobicContact CG1-CD1 4.2Å; V415-L443 HydrophobicContact CG1-CD2 4.35Å; V415-A447 HydrophobicContact CG2-CB 3.75Å; V415-N449 PolarHBondContact N-O 2.93Å; V415-I450 HydrophobicContact CB-CG1 4.47Å; V415-I450 WeakPolarHBondContact O-CA 3.47Å; V415-L451 PolarHBondContact O-N 3.16Å; V415-L504 CarbonylContact C-O 3.57Å; V415-L504 VanDerWaalsContact CA-O 3.27Å; V415-L504 WeakPolarHBondContact CA-O 3.41Å; V415-L504 HydrophobicContact CG2-CB 4.46Å; V415-V506 HydrophobicContact CG1-CG2 3.79Å; V415-L536 HydrophobicContact CG1-CD1 4.45Å
416	V	97.3	Very high	92.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.6	169.5	-171.5	0	0	0	0	110.2	F413 L451 L453 L492 A495 L504 F505 V506	F413-V416 HydrophobicContact CB-CG2 4.26Å; V416-L451 CarbonylContact C-O 3.55Å; V416-L451 WeakPolarHBondContact CA-O 2.98Å; V416-L451 HydrophobicContact CG1-CB 4.38Å; V416-L451 HydrophobicContact CG1-CD2 4.24Å; V416-L451 HydrophobicContact CG1-CG 4.33Å; V416-L451 HydrophobicContact CG2-CB 4.44Å; V416-L453 HydrophobicContact CG1-CD1 3.86Å; V416-L453 HydrophobicContact CG1-CG 4.04Å; V416-L492 HydrophobicContact CB-CD1 4.16Å; V416-L492 HydrophobicContact CG1-CD1 3.64Å; V416-A495 HydrophobicContact CG1-CB 4.15Å; V416-A495 HydrophobicContact CG2-CB 3.95Å; V416-L504 PolarHBondContact N-O 3.18Å; V416-F505 HydrophobicContact CB-CB 4.4Å; V416-F505 CarbonylContact O-C 3.52Å; V416-F505 WeakPolarHBondContact O-CA 3.39Å; V416-F505 WeakPolarHBondContact O-CB 3.4Å; V416-V506 PolarHBondContact O-N 3.3Å
417	V	95.8	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.3	-175.9	-176.8	0	0	0	0	109.8	V415 G419 V422 L436 L443 I450 L451 V452 L453 V506	V415-V417 HydrophobicContact CG1-CG2 4.12Å; V417-G419 PolarHBondContact O-N 3.13Å; V417-G419 VanDerWaalsContact O-N 3.12Å; V417-V422 HydrophobicContact CG1-CB 4.44Å; V417-V422 HydrophobicContact CG1-CG2 3.9Å; V417-L436 HydrophobicContact CG1-CD1 4.18Å; V417-L443 HydrophobicContact CG2-CD1 3.59Å; V417-I450 HydrophobicContact CG2-CG2 4.02Å; V417-L451 PolarHBondContact N-O 2.78Å; V417-V452 HydrophobicContact CB-CG2 4.13Å; V417-V452 HydrophobicContact CG2-CG2 4.5Å; V417-L453 PolarHBondContact O-N 2.88Å; V417-V506 HydrophobicContact CG1-CB 4.42Å; V417-V506 HydrophobicContact CG2-CB 4.46Å; V417-V506 HydrophobicContact CG2-CG2 4.28Å
418	D	93.9	Very high	91.3	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	88.2	168.8	-177	-18.2	0	0	0	109.6	L420 N421 V422 L492 V506 S507	D418-L420 VanDerWaalsContact C-N 3.3Å; D418-L420 PolarHBondContact O-N 2.62Å; D418-N421 HydrophobicContact CB-CB 4.33Å; D418-N421 PolarHBondContact O-N 2.89Å; D418-N421 PolarHBondContact OD1-N 2.76Å; D418-N421 WeakPolarHBondContact OD2-CB 3.23Å; D418-N421 PolarHBondContact OD2-ND2 2.85Å; D418-V422 WeakPolarHBondContact O-CB 3.38Å; D418-V422 VanDerWaalsContact O-CG2 3.24Å; D418-V422 WeakPolarHBondContact O-CG2 3.4Å; D418-V422 PolarHBondContact O-N 2.88Å; D418-L492 HydrophobicContact CB-CD1 4.35Å; D418-L492 HydrophobicContact CB-CD2 4.27Å; D418-V506 VanDerWaalsContact CB-O 3.32Å; D418-V506 WeakPolarHBondContact CB-O 3.36Å; D418-V506 PolarHBondContact N-O 2.95Å; D418-S507 PolarHBondContact OD2-OG 3.11Å
419	G	93.1	Very high	90.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-34.5	-165.8	0	0	0	0	0	113.9	V417 A423 L453	V417-G419 PolarHBondContact O-N 3.13Å; V417-G419 VanDerWaalsContact O-N 3.12Å; G419-A423 VanDerWaalsContact O-CB 3.24Å; G419-A423 WeakPolarHBondContact O-CB 3.38Å; G419-A423 PolarHBondContact O-N 2.68Å; G419-L453 VanDerWaalsContact CA-O 3.28Å; G419-L453 WeakPolarHBondContact CA-O 3.34Å; G419-L453 PolarHBondContact N-O 2.61Å
420	L	89.4	Confident	90.5	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-75.4	-42.9	179.5	-173.4	60.1	0	0	0	111.6	D418 A423 R424 R455 M458 W465	D418-L420 VanDerWaalsContact C-N 3.3Å; D418-L420 PolarHBondContact O-N 2.62Å; L420-A423 PolarHBondContact O-N 2.82Å; L420-R424 VanDerWaalsContact O-CG 3.27Å; L420-R424 WeakPolarHBondContact O-CG 3.45Å; L420-R424 PolarHBondContact O-N 3.01Å; L420-R424 VanDerWaalsContact O-N 3.1Å; L420-R455 HydrophobicContact CD2-CG 3.83Å; L420-M458 HydrophobicContact CB-SD 4.41Å; L420-W465 HydrophobicContact CD1-CH2 4.43Å; L420-W465 HydrophobicContact CD1-CZ2 3.86Å
421	N	89.1	Confident	90.2	Very high	29 Å²	29	41.8 Å²	41.8	16%	0.155	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-37.1	176.6	-81.8	-33.4	0	0	0	112	D418 R424	D418-N421 HydrophobicContact CB-CB 4.33Å; D418-N421 PolarHBondContact O-N 2.89Å; D418-N421 PolarHBondContact OD1-N 2.76Å; D418-N421 WeakPolarHBondContact OD2-CB 3.23Å; D418-N421 PolarHBondContact OD2-ND2 2.85Å; N421-R424 PolarHBondContact O-N 3.1Å
422	V	89.9	Confident	90.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-45.4	172.7	167.4	0	0	0	0	111.7	V417 D418 R424 I425 L436 V439 V506 M538	V417-V422 HydrophobicContact CG1-CB 4.44Å; V417-V422 HydrophobicContact CG1-CG2 3.9Å; D418-V422 WeakPolarHBondContact O-CB 3.38Å; D418-V422 VanDerWaalsContact O-CG2 3.24Å; D418-V422 WeakPolarHBondContact O-CG2 3.4Å; D418-V422 PolarHBondContact O-N 2.88Å; V422-R424 VanDerWaalsContact C-N 3.3Å; V422-R424 PolarHBondContact O-N 3.22Å; V422-I425 VanDerWaalsContact O-CB 3.24Å; V422-I425 WeakPolarHBondContact O-CB 3.33Å; V422-I425 VanDerWaalsContact O-CG1 3.22Å; V422-I425 WeakPolarHBondContact O-CG1 3.42Å; V422-I425 PolarHBondContact O-N 3.31Å; V422-L436 HydrophobicContact CB-CD1 4.32Å; V422-L436 HydrophobicContact CG1-CD1 3.99Å; V422-V439 HydrophobicContact CG1-CB 4.01Å; V422-V439 HydrophobicContact CG1-CG1 4.03Å; V422-V439 HydrophobicContact CG1-CG2 3.84Å; V422-V506 HydrophobicContact CG2-CB 4.3Å; V422-V506 HydrophobicContact CG2-CG1 3.62Å; V422-M538 HydrophobicContact CB-CE 4.22Å; V422-M538 HydrophobicContact CG1-CE 3.88Å; V422-M538 HydrophobicContact CG2-CE 3.74Å
423	A	89.4	Confident	90	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-34.3	179.9	0	0	0	0	0	112.9	G419 L420 I425 Q432 L436 W465	G419-A423 VanDerWaalsContact O-CB 3.24Å; G419-A423 WeakPolarHBondContact O-CB 3.38Å; G419-A423 PolarHBondContact O-N 2.68Å; L420-A423 PolarHBondContact O-N 2.82Å; A423-I425 PolarHBondContact O-N 3.06Å; A423-Q432 HydrophobicContact CB-CB 3.93Å; A423-Q432 HydrophobicContact CB-CG 4.28Å; A423-Q432 WeakPolarHBondContact CB-O 3.17Å; A423-L436 HydrophobicContact CB-CB 4.41Å; A423-W465 HydrophobicContact CB-CH2 3.53Å; A423-W465 HydrophobicContact CB-CZ2 4.29Å; A423-W465 HydrophobicContact CB-CZ3 4.29Å
424	R	87.9	Confident	89.7	Confident	146 Å²	146	40.6 Å²	40.6	55%	0.551	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-5.4	178.9	-75.1	172.7	177.9	177.9	-0.5	114.5	L420 N421 V422 N426	L420-R424 VanDerWaalsContact O-CG 3.27Å; L420-R424 WeakPolarHBondContact O-CG 3.45Å; L420-R424 PolarHBondContact O-N 3.01Å; L420-R424 VanDerWaalsContact O-N 3.1Å; N421-R424 PolarHBondContact O-N 3.1Å; V422-R424 VanDerWaalsContact C-N 3.3Å; V422-R424 PolarHBondContact O-N 3.22Å; R424-N426 PolarHBondContact O-N 3.27Å
425	I	81.9	Confident	89.4	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-35.8	175	-68.3	-174.2	0	0	0	111.6	V422 A423 P427 R508 M538	V422-I425 VanDerWaalsContact O-CB 3.24Å; V422-I425 WeakPolarHBondContact O-CB 3.33Å; V422-I425 VanDerWaalsContact O-CG1 3.22Å; V422-I425 WeakPolarHBondContact O-CG1 3.42Å; V422-I425 PolarHBondContact O-N 3.31Å; A423-I425 PolarHBondContact O-N 3.06Å; I425-P427 WeakPolarHBondContact O-CD 3.31Å; I425-R508 HydrophobicContact CD1-CG 3.95Å; I425-R508 HydrophobicContact CG1-CG 4.13Å; I425-R508 VanDerWaalsContact CG1-CZ 3.47Å; I425-R508 VanDerWaalsContact CG2-CZ 3.45Å; I425-M538 HydrophobicContact CD1-CB 4.45Å; I425-M538 HydrophobicContact CD1-CE 3.01Å; I425-M538 HydrophobicContact CD1-SD 3.64Å; I425-M538 HydrophobicContact CG1-CE 4.43Å
426	N	80.3	Confident	89.3	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.139	19%	0.19	C	C	.	.	S	Bend	trans	-76.7	122.7	177.1	-159.8	-34.1	0	0	0	109.2	R424 D428 T435	R424-N426 PolarHBondContact O-N 3.27Å; N426-D428 PolarHBondContact O-N 2.65Å; N426-D428 WeakPolarHBondContact OD1-CB 3.45Å; N426-D428 PolarHBondContact OD1-N 3.36Å; N426-D428 VanDerWaalsContact OD1-N 3.08Å; N426-T435 HydrophobicContact CB-CG2 4.36Å; N426-T435 WeakPolarHBondContact CB-OG1 3.41Å; N426-T435 PolarHBondContact ND2-OG1 3.17Å; N426-T435 VanDerWaalsContact ND2-OG1 3.1Å
427	P	80.3	Confident	89.1	Confident	114 Å²	114	39.3 Å²	39.3	74%	0.74	19%	0.194	S	C	*	.	S	Bend	trans	-62.9	-27.3	176	25.7	-34.2	0	0	0	111.8	I425 K429	I425-P427 WeakPolarHBondContact O-CD 3.31Å; P427-K429 PolarHBondContact O-N 2.9Å
428	D	85.3	Confident	88.9	Confident	61 Å²	61	40.6 Å²	40.6	33%	0.326	20%	0.202	S	C	.	.			trans	-77.4	102.8	173.4	-174.3	-7.4	0	0	0	110.6	N426 T430 K431	N426-D428 PolarHBondContact O-N 2.65Å; N426-D428 WeakPolarHBondContact OD1-CB 3.45Å; N426-D428 PolarHBondContact OD1-N 3.36Å; N426-D428 VanDerWaalsContact OD1-N 3.08Å; D428-T430 VanDerWaalsContact CG-OG1 3.23Å; D428-T430 PolarHBondContact O-N 3.11Å; D428-T430 VanDerWaalsContact O-N 3.09Å; D428-T430 WeakPolarHBondContact OD1-CB 3.45Å; D428-T430 PolarHBondContact OD1-N 3.25Å; D428-T430 PolarHBondContact OD1-OG1 3.03Å; D428-T430 PolarHBondContact OD2-OG1 3.12Å; D428-K431 HydrophobicContact CB-CD 4.39Å; D428-K431 HydrophobicContact CB-CG 4.38Å; D428-K431 PolarHBondContact O-N 3.4Å; D428-K431 VanDerWaalsContact OD2-CE 3.31Å; D428-K431 WeakPolarHBondContact OD2-CE 3.24Å
429	K	85.2	Confident	88.8	Confident	152 Å²	152	40.5 Å²	40.5	66%	0.661	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-59.4	-20.9	178.6	-66.8	-176.6	-179.4	176.6	0	113.3	P427 K431 Q432 S464	P427-K429 PolarHBondContact O-N 2.9Å; K429-K431 VanDerWaalsContact C-N 3.26Å; K429-K431 PolarHBondContact O-N 2.69Å; K429-Q432 WeakPolarHBondContact O-CG 3.48Å; K429-S464 VanDerWaalsContact O-CA 3.29Å; K429-S464 WeakPolarHBondContact O-CA 3.35Å; K429-S464 WeakPolarHBondContact O-CB 3.26Å; K429-S464 PolarHBondContact O-OG 3.27Å
430	T	87	Confident	88.9	Confident	75 Å²	75	40.5 Å²	40.5	46%	0.46	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-75.5	-18.6	179.3	68.9	0	0	0	0	112.7	D428 K463	D428-T430 VanDerWaalsContact CG-OG1 3.23Å; D428-T430 PolarHBondContact O-N 3.11Å; D428-T430 VanDerWaalsContact O-N 3.09Å; D428-T430 WeakPolarHBondContact OD1-CB 3.45Å; D428-T430 PolarHBondContact OD1-N 3.25Å; D428-T430 PolarHBondContact OD1-OG1 3.03Å; D428-T430 PolarHBondContact OD2-OG1 3.12Å; T430-K463 VanDerWaalsContact CA-O 3.26Å; T430-K463 WeakPolarHBondContact CA-O 3.37Å; T430-K463 VanDerWaalsContact O-O 3.13Å
431	K	87.8	Confident	89	Confident	91 Å²	91	42.9 Å²	42.9	40%	0.396	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-103.1	18.2	-175.6	-61.6	-173.9	-179	-177.7	0	114	D428 K429 E434 T435	D428-K431 HydrophobicContact CB-CD 4.39Å; D428-K431 HydrophobicContact CB-CG 4.38Å; D428-K431 PolarHBondContact O-N 3.4Å; D428-K431 VanDerWaalsContact OD2-CE 3.31Å; D428-K431 WeakPolarHBondContact OD2-CE 3.24Å; K429-K431 VanDerWaalsContact C-N 3.26Å; K429-K431 PolarHBondContact O-N 2.69Å; K431-E434 PolarHBondContact O-N 3.4Å; K431-T435 WeakPolarHBondContact O-CB 3.46Å; K431-T435 PolarHBondContact O-N 3.41Å; K431-T435 PolarHBondContact O-OG1 3.3Å
432	Q	91.3	Very high	89.1	Confident	21 Å²	21	43 Å²	43	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-52.3	-176.1	-79.1	-176.2	-16.8	0	0	112.5	A423 K429 E434 T435 L436 S464 W465	A423-Q432 HydrophobicContact CB-CB 3.93Å; A423-Q432 HydrophobicContact CB-CG 4.28Å; A423-Q432 WeakPolarHBondContact CB-O 3.17Å; K429-Q432 WeakPolarHBondContact O-CG 3.48Å; Q432-E434 VanDerWaalsContact C-N 3.34Å; Q432-E434 PolarHBondContact O-N 3.13Å; Q432-T435 PolarHBondContact O-N 3.4Å; Q432-L436 PolarHBondContact O-N 2.6Å; Q432-S464 VanDerWaalsContact OE1-CB 3.32Å; Q432-W465 HydrophobicContact CB-CH2 4.21Å; Q432-W465 HydrophobicContact CB-CZ2 4.19Å
433	S	92.8	Very high	89.2	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-36.2	176.6	53.7	0	0	0	0	113.6	L437 S464 D466 N469	S433-L437 WeakPolarHBondContact O-CB 3.33Å; S433-L437 PolarHBondContact O-N 2.93Å; S433-S464 WeakPolarHBondContact CB-O 3.48Å; S433-S464 PolarHBondContact N-O 2.92Å; S433-S464 PolarHBondContact OG-O 3.09Å; S433-S464 VanDerWaalsContact OG-O 3.06Å; S433-D466 PolarHBondContact OG-N 2.95Å; S433-N469 PolarHBondContact OG-ND2 3.32Å
434	E	92	Very high	89.3	Confident	68 Å²	68	46.6 Å²	46.6	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-66.5	-42.5	176.3	-179	179.2	-154.6	0	0	111.8	K431 Q432 L437 T438 A544	K431-E434 PolarHBondContact O-N 3.4Å; Q432-E434 VanDerWaalsContact C-N 3.34Å; Q432-E434 PolarHBondContact O-N 3.13Å; E434-L437 PolarHBondContact O-N 2.94Å; E434-T438 WeakPolarHBondContact O-CB 3.43Å; E434-T438 PolarHBondContact O-N 3Å; E434-T438 PolarHBondContact O-OG1 3Å; E434-A544 WeakPolarHBondContact OE1-CB 3.38Å
435	T	91.1	Very high	89.3	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-48.3	176.1	-58.9	0	0	0	0	110.4	N426 K431 Q432 L437 T438 V439 V542	N426-T435 HydrophobicContact CB-CG2 4.36Å; N426-T435 WeakPolarHBondContact CB-OG1 3.41Å; N426-T435 PolarHBondContact ND2-OG1 3.17Å; N426-T435 VanDerWaalsContact ND2-OG1 3.1Å; K431-T435 WeakPolarHBondContact O-CB 3.46Å; K431-T435 PolarHBondContact O-N 3.41Å; K431-T435 PolarHBondContact O-OG1 3.3Å; Q432-T435 PolarHBondContact O-N 3.4Å; T435-L437 PolarHBondContact O-N 3.01Å; T435-T438 PolarHBondContact O-N 2.89Å; T435-V439 WeakPolarHBondContact O-CG2 3.31Å; T435-V439 PolarHBondContact O-N 3.47Å; T435-V439 VanDerWaalsContact O-N 3.1Å; T435-V542 HydrophobicContact CG2-CB 4.05Å; T435-V542 HydrophobicContact CG2-CG1 4.05Å; T435-V542 HydrophobicContact CG2-CG2 4.46Å
436	L	93.6	Very high	89.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-46	177.5	-179.3	58.7	0	0	0	111.8	V417 V422 A423 Q432 T438 V439 V440 V452 M458 W465 M470 I473	V417-L436 HydrophobicContact CG1-CD1 4.18Å; V422-L436 HydrophobicContact CB-CD1 4.32Å; V422-L436 HydrophobicContact CG1-CD1 3.99Å; A423-L436 HydrophobicContact CB-CB 4.41Å; Q432-L436 PolarHBondContact O-N 2.6Å; L436-T438 VanDerWaalsContact C-N 3.33Å; L436-T438 PolarHBondContact O-N 2.6Å; L436-V439 PolarHBondContact O-N 3Å; L436-V440 HydrophobicContact CD1-CG2 4.19Å; L436-V440 HydrophobicContact CG-CG2 4.47Å; L436-V440 WeakPolarHBondContact O-CG2 3.26Å; L436-V440 PolarHBondContact O-N 3.35Å; L436-V452 HydrophobicContact CD1-CG1 4.48Å; L436-V452 HydrophobicContact CD2-CG1 4.42Å; L436-M458 HydrophobicContact CD2-CE 3.51Å; L436-W465 HydrophobicContact CD2-CZ3 4.19Å; L436-M470 HydrophobicContact CD2-SD 4.33Å; L436-I473 HydrophobicContact CB-CD1 4.38Å; L436-I473 HydrophobicContact CD2-CD1 4Å; L436-I473 HydrophobicContact CG-CD1 3.86Å
437	L	94.2	Very high	90	Very high	17 Å²	17	53.7 Å²	53.7	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-45	177.6	175.2	64.2	0	0	0	111.5	S433 E434 T435 V439 V440 L441 N469 L472 I473	S433-L437 WeakPolarHBondContact O-CB 3.33Å; S433-L437 PolarHBondContact O-N 2.93Å; E434-L437 PolarHBondContact O-N 2.94Å; T435-L437 PolarHBondContact O-N 3.01Å; L437-V439 VanDerWaalsContact C-N 3.31Å; L437-V439 PolarHBondContact O-N 3.34Å; L437-V440 PolarHBondContact O-N 3.48Å; L437-L441 HydrophobicContact CD1-CD1 3.93Å; L437-L441 HydrophobicContact CD1-CD2 4.45Å; L437-L441 HydrophobicContact CD1-CG 3.94Å; L437-L441 HydrophobicContact CG-CD1 3.89Å; L437-L441 HydrophobicContact CG-CG 4.31Å; L437-L441 WeakPolarHBondContact O-CB 3.47Å; L437-L441 VanDerWaalsContact O-CG 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.48Å; L437-L441 PolarHBondContact O-N 3.33Å; L437-N469 HydrophobicContact CD2-CB 4.17Å; L437-N469 WeakPolarHBondContact CD2-OD1 3.46Å; L437-L472 HydrophobicContact CD1-CB 4.34Å; L437-L472 HydrophobicContact CD1-CD2 3.82Å; L437-L472 HydrophobicContact CD1-CG 4.03Å; L437-L472 HydrophobicContact CD2-CD2 4.08Å; L437-I473 HydrophobicContact CB-CD1 4.11Å; L437-I473 HydrophobicContact CB-CG1 4.23Å; L437-I473 HydrophobicContact CD1-CG1 3.74Å
438	T	92.2	Very high	90.4	Very high	28 Å²	28	53.5 Å²	53.5	17%	0.172	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-42.3	180	-55.9	0	0	0	0	111.4	E434 T435 L436 E442 V542 V548	E434-T438 WeakPolarHBondContact O-CB 3.43Å; E434-T438 PolarHBondContact O-N 3Å; E434-T438 PolarHBondContact O-OG1 3Å; T435-T438 PolarHBondContact O-N 2.89Å; L436-T438 VanDerWaalsContact C-N 3.33Å; L436-T438 PolarHBondContact O-N 2.6Å; T438-E442 PolarHBondContact O-N 2.95Å; T438-E442 VanDerWaalsContact O-N 3.15Å; T438-V542 HydrophobicContact CG2-CG1 4.14Å; T438-V548 HydrophobicContact CG2-CG2 3.81Å
439	V	91.8	Very high	90.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-45.3	177.1	173.3	0	0	0	0	111.4	V422 T435 L436 L437 L441 E442 L443 M538 V548 F550	V422-V439 HydrophobicContact CG1-CB 4.01Å; V422-V439 HydrophobicContact CG1-CG1 4.03Å; V422-V439 HydrophobicContact CG1-CG2 3.84Å; T435-V439 WeakPolarHBondContact O-CG2 3.31Å; T435-V439 PolarHBondContact O-N 3.47Å; T435-V439 VanDerWaalsContact O-N 3.1Å; L436-V439 PolarHBondContact O-N 3Å; L437-V439 VanDerWaalsContact C-N 3.31Å; L437-V439 PolarHBondContact O-N 3.34Å; V439-L441 PolarHBondContact O-N 3.31Å; V439-E442 PolarHBondContact O-N 3.48Å; V439-L443 HydrophobicContact CG1-CD1 3.85Å; V439-L443 HydrophobicContact CG1-CG 4.48Å; V439-L443 WeakPolarHBondContact O-CG 2.98Å; V439-L443 PolarHBondContact O-N 3.27Å; V439-M538 HydrophobicContact CG1-SD 4.46Å; V439-M538 HydrophobicContact CG2-CE 4.43Å; V439-M538 HydrophobicContact CG2-SD 3.53Å; V439-M538 VanDerWaalsContact CG2-SD 3.53Å; V439-V548 HydrophobicContact CG2-CG1 4.32Å; V439-V548 HydrophobicContact CG2-CG2 4.19Å; V439-F550 HydrophobicContact CG1-CZ 4.22Å
440	V	93.8	Very high	91.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-43.7	178.6	169.8	0	0	0	0	111.3	L436 L437 E442 L443 E444 V452 I473 V477	L436-V440 HydrophobicContact CD1-CG2 4.19Å; L436-V440 HydrophobicContact CG-CG2 4.47Å; L436-V440 WeakPolarHBondContact O-CG2 3.26Å; L436-V440 PolarHBondContact O-N 3.35Å; L437-V440 PolarHBondContact O-N 3.48Å; V440-E442 VanDerWaalsContact C-N 3.32Å; V440-E442 PolarHBondContact O-N 3.32Å; V440-L443 PolarHBondContact O-N 3.44Å; V440-E444 WeakPolarHBondContact O-CB 2.71Å; V440-E444 PolarHBondContact O-N 3.1Å; V440-V452 HydrophobicContact CG2-CG2 3.7Å; V440-I473 HydrophobicContact CG1-CG2 4.41Å; V440-I473 HydrophobicContact CG2-CG2 4.3Å; V440-V477 HydrophobicContact CG1-CB 4.42Å; V440-V477 HydrophobicContact CG1-CG1 3.69Å; V440-V477 HydrophobicContact CG1-CG2 3.78Å
441	L	92.4	Very high	92	Very high	58 Å²	58	42.1 Å²	42.1	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-34	178.3	-71.2	174.4	0	0	0	112.8	L437 V439 R445 K476	L437-L441 HydrophobicContact CD1-CD1 3.93Å; L437-L441 HydrophobicContact CD1-CD2 4.45Å; L437-L441 HydrophobicContact CD1-CG 3.94Å; L437-L441 HydrophobicContact CG-CD1 3.89Å; L437-L441 HydrophobicContact CG-CG 4.31Å; L437-L441 WeakPolarHBondContact O-CB 3.47Å; L437-L441 VanDerWaalsContact O-CG 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.48Å; L437-L441 PolarHBondContact O-N 3.33Å; V439-L441 PolarHBondContact O-N 3.31Å; L441-R445 WeakPolarHBondContact O-CG 3.36Å; L441-K476 HydrophobicContact CD2-CD 3.51Å
442	E	90.9	Very high	92.4	Very high	32 Å²	32	37.8 Å²	37.8	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-41.6	174.8	-174.8	60.5	-139.4	0	0	111.4	T438 V439 V440 R445 Q446 V548 F550	T438-E442 PolarHBondContact O-N 2.95Å; T438-E442 VanDerWaalsContact O-N 3.15Å; V439-E442 PolarHBondContact O-N 3.48Å; V440-E442 VanDerWaalsContact C-N 3.32Å; V440-E442 PolarHBondContact O-N 3.32Å; E442-R445 WeakPolarHBondContact O-CB 3.18Å; E442-R445 PolarHBondContact O-N 2.99Å; E442-Q446 PolarHBondContact OE1-NE2 3.16Å; E442-V548 HydrophobicContact CB-CB 4.2Å; E442-V548 HydrophobicContact CB-CG2 4.42Å; E442-V548 HydrophobicContact CG-CB 4.11Å; E442-F550 HydrophobicContact CG-CE2 4.5Å
443	L	91.9	Very high	92.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-37.6	178.5	-69.1	167.7	0	0	0	112.4	V415 V417 V439 V440 R445 Q446 A447 I450 V506 L536 F550	V415-L443 HydrophobicContact CG1-CD1 4.2Å; V415-L443 HydrophobicContact CG1-CD2 4.35Å; V417-L443 HydrophobicContact CG2-CD1 3.59Å; V439-L443 HydrophobicContact CG1-CD1 3.85Å; V439-L443 HydrophobicContact CG1-CG 4.48Å; V439-L443 WeakPolarHBondContact O-CG 2.98Å; V439-L443 PolarHBondContact O-N 3.27Å; V440-L443 PolarHBondContact O-N 3.44Å; L443-R445 PolarHBondContact O-N 2.77Å; L443-R445 VanDerWaalsContact O-N 3.11Å; L443-Q446 PolarHBondContact O-N 3.09Å; L443-A447 PolarHBondContact O-N 3.33Å; L443-I450 VanDerWaalsContact C-CD1 3.45Å; L443-I450 HydrophobicContact CB-CD1 3.69Å; L443-V506 HydrophobicContact CD1-CG2 3.98Å; L443-L536 HydrophobicContact CD2-CD1 4.44Å; L443-F550 HydrophobicContact CD1-CZ 4.38Å; L443-F550 HydrophobicContact CD2-CE2 3.76Å; L443-F550 HydrophobicContact CD2-CZ 3.64Å; L443-F550 HydrophobicContact CG-CE2 4.31Å; L443-F550 HydrophobicContact CG-CZ 3.97Å
444	E	91.8	Very high	92.7	Very high	71 Å²	71	37 Å²	37	33%	0.332	18%	0.182	S	C	.	.	H	α-helix	trans	-55.9	-28.4	176.9	-173.5	-169.6	-154.7	0	0	111.9	V440 Q446 I450 K476	V440-E444 WeakPolarHBondContact O-CB 2.71Å; V440-E444 PolarHBondContact O-N 3.1Å; E444-Q446 VanDerWaalsContact C-N 3.29Å; E444-Q446 PolarHBondContact O-N 3.5Å; E444-I450 HydrophobicContact CB-CD1 4.35Å; E444-K476 IonicContact OE1-NZ 2.62Å; E444-K476 PolarHBondContact OE1-NZ 3.5Å; E444-K476 IonicContact OE2-NZ 3.94Å; E444-K476 PolarHBondContact OE2-NZ 3.4Å
445	R	87.7	Confident	92.7	Very high	194 Å²	194	34.8 Å²	34.8	73%	0.732	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.5	176.8	-59.7	176.1	70.9	90.2	7.4	113.5	L441 E442 L443	L441-R445 WeakPolarHBondContact O-CG 3.36Å; E442-R445 WeakPolarHBondContact O-CB 3.18Å; E442-R445 PolarHBondContact O-N 2.99Å; L443-R445 PolarHBondContact O-N 2.77Å; L443-R445 VanDerWaalsContact O-N 3.11Å
446	Q	86.6	Confident	92.7	Very high	125 Å²	125	38.6 Å²	38.6	58%	0.584	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-25.4	-169.4	-58.1	-178.7	38.1	0	0	112.6	E442 L443 E444	E442-Q446 PolarHBondContact OE1-NE2 3.16Å; L443-Q446 PolarHBondContact O-N 3.09Å; E444-Q446 VanDerWaalsContact C-N 3.29Å; E444-Q446 PolarHBondContact O-N 3.5Å
447	A	89.8	Confident	92.7	Very high	11 Å²	11	41.4 Å²	41.4	9%	0.091	20%	0.2	C	C	.	.			trans	-135.3	128.1	-172.6	0	0	0	0	0	111.3	D414 V415 L443 I450	D414-A447 HydrophobicContact CB-CB 3.92Å; V415-A447 HydrophobicContact CG2-CB 3.75Å; L443-A447 PolarHBondContact O-N 3.33Å; A447-I450 HydrophobicContact CB-CD1 4.31Å; A447-I450 HydrophobicContact CB-CG1 4.09Å
448	P	89.8	Confident	92.6	Very high	110 Å²	110	40.6 Å²	40.6	71%	0.714	20%	0.196	S	C	*	.	S	Bend	trans	-76.2	-34.7	-177	25.3	-29.3	0	0	0	113.9	D414	D414-P448 WeakPolarHBondContact OD2-CD 3.39Å; D414-P448 VanDerWaalsContact OD2-CG 3.22Å; D414-P448 WeakPolarHBondContact OD2-CG 3.29Å
449	N	95.3	Very high	92.7	Very high	44 Å²	44	42.6 Å²	42.6	24%	0.235	21%	0.205	C	C	.	.	S	Bend	trans	-115.9	105.5	-177.8	-55.5	-77.1	0	0	0	111.2	P411 A412 F413 D414 V415	P411-N449 WeakPolarHBondContact CG-OD1 3.42Å; A412-N449 WeakPolarHBondContact O-CB 3.21Å; F413-N449 HydrophobicContact CD1-CB 4.38Å; D414-N449 PolarHBondContact N-O 3.36Å; D414-N449 WeakPolarHBondContact OD2-CB 3.4Å; D414-N449 PolarHBondContact OD2-N 3.29Å; D414-N449 PolarHBondContact OD2-ND2 3.24Å; D414-N449 VanDerWaalsContact OD2-ND2 3.12Å; V415-N449 PolarHBondContact N-O 2.93Å
450	I	97.3	Very high	92.7	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.3	-178.4	-58.6	167.9	0	0	0	110	V415 V417 L443 E444 A447 V477 H478	V415-I450 HydrophobicContact CB-CG1 4.47Å; V415-I450 WeakPolarHBondContact O-CA 3.47Å; V417-I450 HydrophobicContact CG2-CG2 4.02Å; L443-I450 VanDerWaalsContact C-CD1 3.45Å; L443-I450 HydrophobicContact CB-CD1 3.69Å; E444-I450 HydrophobicContact CB-CD1 4.35Å; A447-I450 HydrophobicContact CB-CD1 4.31Å; A447-I450 HydrophobicContact CB-CG1 4.09Å; I450-V477 HydrophobicContact CB-CB 4.09Å; I450-V477 HydrophobicContact CB-CG1 3.82Å; I450-V477 HydrophobicContact CD1-CG1 4.14Å; I450-V477 HydrophobicContact CG2-CB 4.25Å; I450-V477 HydrophobicContact CG2-CG1 4.11Å; I450-H478 WeakPolarHBondContact O-CB 3.38Å; I450-H478 PolarHBondContact O-N 3.37Å
451	L	97.8	Very high	92.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.6	169.6	175.9	58.6	0	0	0	110.4	F403 F406 F413 V415 V416 V417 L453 H478 F480 A495	F403-L451 HydrophobicContact CE2-CD2 4.29Å; F403-L451 HydrophobicContact CZ-CD2 4.29Å; F406-L451 HydrophobicContact CE1-CD1 3.71Å; F406-L451 HydrophobicContact CZ-CD1 4.16Å; F413-L451 HydrophobicContact CD1-CB 3.7Å; F413-L451 HydrophobicContact CD2-CB 4.1Å; F413-L451 HydrophobicContact CD2-CD2 4.08Å; F413-L451 HydrophobicContact CE1-CB 3.76Å; F413-L451 HydrophobicContact CE2-CB 4.17Å; F413-L451 HydrophobicContact CE2-CD2 3.75Å; F413-L451 HydrophobicContact CE2-CG 4.48Å; F413-L451 HydrophobicContact CG-CB 3.87Å; F413-L451 HydrophobicContact CZ-CB 4Å; F413-L451 HydrophobicContact CZ-CD1 4.38Å; F413-L451 HydrophobicContact CZ-CD2 4.06Å; F413-L451 HydrophobicContact CZ-CG 4.38Å; V415-L451 PolarHBondContact O-N 3.16Å; V416-L451 CarbonylContact C-O 3.55Å; V416-L451 WeakPolarHBondContact CA-O 2.98Å; V416-L451 HydrophobicContact CG1-CB 4.38Å; V416-L451 HydrophobicContact CG1-CD2 4.24Å; V416-L451 HydrophobicContact CG1-CG 4.33Å; V416-L451 HydrophobicContact CG2-CB 4.44Å; V417-L451 PolarHBondContact N-O 2.78Å; L451-L453 HydrophobicContact CD1-CD2 4.34Å; L451-L453 HydrophobicContact CD2-CD2 3.88Å; L451-L453 HydrophobicContact CD2-CG 4.5Å; L451-L453 HydrophobicContact CG-CD2 4Å; L451-L453 HydrophobicContact CG-CG 4.41Å; L451-H478 CarbonylContact C-O 3.51Å; L451-H478 WeakPolarHBondContact CA-O 3.49Å; L451-H478 HydrophobicContact CD1-CB 4.2Å; L451-F480 HydrophobicContact CD1-CB 4.36Å; L451-A495 HydrophobicContact CD2-CB 3.7Å
452	V	97.3	Very high	92.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.3	167.9	178.2	0	0	0	0	109.4	V417 L436 V440 I473 V477 H478 C479 F480	V417-V452 HydrophobicContact CB-CG2 4.13Å; V417-V452 HydrophobicContact CG2-CG2 4.5Å; L436-V452 HydrophobicContact CD1-CG1 4.48Å; L436-V452 HydrophobicContact CD2-CG1 4.42Å; V440-V452 HydrophobicContact CG2-CG2 3.7Å; V452-I473 HydrophobicContact CG2-CG2 4.2Å; V452-V477 HydrophobicContact CB-CG2 4.47Å; V452-V477 HydrophobicContact CG2-CG2 3.62Å; V452-H478 PolarHBondContact N-O 3.11Å; V452-C479 VanDerWaalsContact O-CA 3.31Å; V452-C479 WeakPolarHBondContact O-CA 3.29Å; V452-F480 PolarHBondContact O-N 3.08Å
453	L	96.1	Very high	92.6	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.5	168.5	-59.9	180	0	0	0	109	F403 V416 V417 G419 L451 F480 F491 L492	F403-L453 HydrophobicContact CE2-CD2 3.54Å; F403-L453 HydrophobicContact CZ-CD2 3.76Å; V416-L453 HydrophobicContact CG1-CD1 3.86Å; V416-L453 HydrophobicContact CG1-CG 4.04Å; V417-L453 PolarHBondContact O-N 2.88Å; G419-L453 VanDerWaalsContact CA-O 3.28Å; G419-L453 WeakPolarHBondContact CA-O 3.34Å; G419-L453 PolarHBondContact N-O 2.61Å; L451-L453 HydrophobicContact CD1-CD2 4.34Å; L451-L453 HydrophobicContact CD2-CD2 3.88Å; L451-L453 HydrophobicContact CD2-CG 4.5Å; L451-L453 HydrophobicContact CG-CD2 4Å; L451-L453 HydrophobicContact CG-CG 4.41Å; L453-F480 WeakPolarHBondContact CA-O 3.35Å; L453-F480 HydrophobicContact CD2-CB 4.11Å; L453-F491 HydrophobicContact CD1-CB 3.95Å; L453-L492 VanDerWaalsContact CD1-CA 3.46Å; L453-L492 HydrophobicContact CD1-CB 3.98Å; L453-L492 HydrophobicContact CD1-CD1 4.18Å
454	G	93.5	Very high	92.6	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-174.7	179.2	0	0	0	0	0	112.2	M458 F480 F481 T482	G454-M458 WeakPolarHBondContact CA-SD 3.44Å; G454-F480 PolarHBondContact N-O 3.1Å; G454-F481 CarbonylContact O-C 3.55Å; G454-F481 VanDerWaalsContact O-CA 3.27Å; G454-F481 WeakPolarHBondContact O-CA 3.48Å; G454-T482 PolarHBondContact O-N 3.11Å; G454-T482 PolarHBondContact O-OG1 3.21Å
455	R	91.7	Very high	92.7	Very high	21 Å²	21	60.8 Å²	60.8	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.6	177.1	-58.5	-55.3	-169.2	115.7	4.7	111.4	L420 H457 M458 F481 T482 E483 N484 S486 D488	L420-R455 HydrophobicContact CD2-CG 3.83Å; R455-H457 VanDerWaalsContact CB-CE1 3.44Å; R455-H457 WeakPolarHBondContact CB-CE1 3.27Å; R455-H457 VanDerWaalsContact CB-ND1 3.28Å; R455-H457 WeakPolarHBondContact CB-ND1 3.15Å; R455-H457 PolarHBondContact O-N 2.91Å; R455-H457 VanDerWaalsContact O-N 3.1Å; R455-M458 HydrophobicContact CB-CG 4.3Å; R455-M458 HydrophobicContact CB-SD 4.27Å; R455-M458 PolarHBondContact N-SD 2.96Å; R455-M458 WeakPolarHBondContact O-CB 3.32Å; R455-M458 WeakPolarHBondContact O-CG 3.33Å; R455-M458 PolarHBondContact O-N 3.24Å; R455-F481 WeakPolarHBondContact O-CD1 3.35Å; R455-T482 CarbonylContact C-O 3.54Å; R455-T482 WeakPolarHBondContact CA-O 3.37Å; R455-T482 WeakPolarHBondContact CD-OG1 3.39Å; R455-E483 PolarHBondContact NH1-O 3.1Å; R455-N484 WeakPolarHBondContact CB-OD1 3.34Å; R455-N484 PolarHBondContact NH1-O 3.22Å; R455-N484 VanDerWaalsContact NH1-O 3.16Å; R455-S486 PolarHBondContact NH1-O 3.31Å; R455-S486 PolarHBondContact NH2-O 2.76Å; R455-D488 IonicContact CZ-OD1 3.66Å; R455-D488 IonicContact CZ-OD2 2.6Å; R455-D488 VanDerWaalsContact NE-CG 3.34Å; R455-D488 IonicContact NE-OD1 2.93Å; R455-D488 PolarHBondContact NE-OD1 3.03Å; R455-D488 IonicContact NE-OD2 3.22Å; R455-D488 PolarHBondContact NE-OD2 3.33Å; R455-D488 IonicContact NH2-OD1 2.6Å; R455-D488 PolarHBondContact NH2-OD1 3.43Å; R455-D488 VanDerWaalsContact NH2-OD1 3.15Å; R455-D488 IonicContact NH2-OD2 3.94Å; R455-D488 PolarHBondContact NH2-OD2 3.18Å
456	K	92.4	Very high	93	Very high	84 Å²	84	54.7 Å²	54.7	37%	0.365	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-56	-30.4	178.6	-72.9	-174.9	-173.9	-176.4	0	113.9	M458 L459 F481 T482 E483	K456-M458 PolarHBondContact O-N 2.91Å; K456-L459 PolarHBondContact O-N 3.46Å; K456-F481 HydrophobicContact CG-CB 4.36Å; K456-T482 WeakPolarHBondContact CG-O 3.48Å; K456-T482 PolarHBondContact N-O 3.49Å; K456-E483 WeakPolarHBondContact CE-OE1 3.21Å; K456-E483 IonicContact NZ-OE1 3.65Å; K456-E483 PolarHBondContact NZ-OE1 3.21Å
457	H	92.3	Very high	93.4	Very high	58 Å²	58	56.6 Å²	56.6	27%	0.269	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65	-24	175	75.3	-92.2	0	0	0	113.6	R455 L459 R460 W465 N484	R455-H457 VanDerWaalsContact CB-CE1 3.44Å; R455-H457 WeakPolarHBondContact CB-CE1 3.27Å; R455-H457 VanDerWaalsContact CB-ND1 3.28Å; R455-H457 WeakPolarHBondContact CB-ND1 3.15Å; R455-H457 PolarHBondContact O-N 2.91Å; R455-H457 VanDerWaalsContact O-N 3.1Å; H457-L459 PolarHBondContact O-N 3.43Å; H457-R460 PolarHBondContact O-N 2.82Å; H457-W465 AromaticContact CD2-CD1 3.99Å; H457-W465 AromaticContact CD2-NE1 3.51Å; H457-W465 AromaticContact NE2-NE1 3.61Å; H457-N484 WeakPolarHBondContact CB-OD1 3.41Å; H457-N484 PolarHBondContact N-OD1 3.3Å; H457-N484 PolarHBondContact ND1-OD1 3.01Å
458	M	93	Very high	93.6	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65.2	-23.4	177.1	-60.2	169.4	55.8	0	0	111.8	L420 L436 G454 R455 K456 R460 W465 M470 F481	L420-M458 HydrophobicContact CB-SD 4.41Å; L436-M458 HydrophobicContact CD2-CE 3.51Å; G454-M458 WeakPolarHBondContact CA-SD 3.44Å; R455-M458 HydrophobicContact CB-CG 4.3Å; R455-M458 HydrophobicContact CB-SD 4.27Å; R455-M458 PolarHBondContact N-SD 2.96Å; R455-M458 WeakPolarHBondContact O-CB 3.32Å; R455-M458 WeakPolarHBondContact O-CG 3.33Å; R455-M458 PolarHBondContact O-N 3.24Å; K456-M458 PolarHBondContact O-N 2.91Å; M458-R460 VanDerWaalsContact C-N 3.34Å; M458-W465 HydrophobicContact CB-CD2 3.92Å; M458-W465 HydrophobicContact CB-CE3 3.88Å; M458-W465 HydrophobicContact CB-CG 4.48Å; M458-W465 HydrophobicContact CB-CH2 4.39Å; M458-W465 HydrophobicContact CB-CZ2 4.4Å; M458-W465 HydrophobicContact CB-CZ3 4.13Å; M458-W465 HydrophobicContact CE-CE3 4.32Å; M458-W465 HydrophobicContact CE-CH2 3.48Å; M458-W465 VanDerWaalsContact CE-CH2 3.48Å; M458-W465 HydrophobicContact CE-CZ2 4.33Å; M458-W465 HydrophobicContact CE-CZ3 3.47Å; M458-W465 VanDerWaalsContact CE-CZ3 3.47Å; M458-W465 HydrophobicContact CG-CD2 4Å; M458-W465 HydrophobicContact CG-CE3 4.09Å; M458-W465 HydrophobicContact CG-CH2 3.72Å; M458-W465 HydrophobicContact CG-CZ2 3.58Å; M458-W465 HydrophobicContact CG-CZ3 3.96Å; M458-W465 WeakPolarHBondContact O-CB 3.36Å; M458-W465 HydrophobicContact SD-CH2 4Å; M458-W465 HydrophobicContact SD-CZ2 4.29Å; M458-W465 HydrophobicContact SD-CZ3 4.38Å; M458-M470 HydrophobicContact CB-CE 4.07Å; M458-M470 HydrophobicContact CE-CE 3.99Å; M458-M470 WeakPolarHBondContact O-CG 3.29Å; M458-F481 HydrophobicContact CB-CE1 4.26Å; M458-F481 HydrophobicContact CE-CE1 4.35Å
459	L	93.3	Very high	93.8	Very high	69 Å²	69	62.4 Å²	62.4	36%	0.361	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-83.6	-11.3	176.4	-60.3	178.1	0	0	0	113	K456 H457 M470 F481	K456-L459 PolarHBondContact O-N 3.46Å; H457-L459 PolarHBondContact O-N 3.43Å; L459-M470 HydrophobicContact CD2-CE 4.43Å; L459-F481 HydrophobicContact CD1-CB 4.31Å; L459-F481 HydrophobicContact CD1-CD1 4.41Å; L459-F481 HydrophobicContact CD1-CD2 3.85Å; L459-F481 HydrophobicContact CD1-CE2 4.25Å; L459-F481 HydrophobicContact CD1-CG 3.93Å; L459-F481 HydrophobicContact CD2-CD1 4.35Å; L459-F481 HydrophobicContact CD2-CD2 4.17Å; L459-F481 HydrophobicContact CD2-CE1 3.95Å; L459-F481 HydrophobicContact CD2-CE2 3.73Å; L459-F481 HydrophobicContact CD2-CG 4.46Å; L459-F481 HydrophobicContact CD2-CZ 3.62Å; L459-F481 HydrophobicContact CG-CD1 4.13Å; L459-F481 HydrophobicContact CG-CD2 4.24Å; L459-F481 HydrophobicContact CG-CE1 4.2Å; L459-F481 HydrophobicContact CG-CE2 4.29Å; L459-F481 HydrophobicContact CG-CG 4.16Å; L459-F481 HydrophobicContact CG-CZ 4.28Å
460	R	92.6	Very high	93.9	Very high	171 Å²	171	60.4 Å²	60.4	65%	0.645	28%	0.277	S	S	*	.	S	Bend	trans	-89.6	122.1	179.2	-62.8	-175.7	-176.9	178.9	0.7	109.1	H457 M458 S462	H457-R460 PolarHBondContact O-N 2.82Å; M458-R460 VanDerWaalsContact C-N 3.34Å; R460-S462 PolarHBondContact O-N 3.32Å
461	P	92	Very high	93.8	Very high	95 Å²	95	63.4 Å²	63.4	62%	0.617	29%	0.294	S	S	*	.			trans	-54.6	128	179.1	-25.4	33.8	0	0	0	111.4	W465 R467	P461-W465 WeakPolarHBondContact CA-O 3.21Å; P461-R467 HydrophobicContact CG-CB 4.31Å
462	S	92.7	Very high	93.7	Very high	63 Å²	63	66.3 Å²	66.3	44%	0.441	31%	0.309	S	S	.	.			trans	-152.9	175.9	178.4	67.8	0	0	0	0	110.3	R460 S464 W465	R460-S462 PolarHBondContact O-N 3.32Å; S462-S464 PolarHBondContact O-N 3.39Å; S462-S464 VanDerWaalsContact O-N 3.11Å; S462-S464 PolarHBondContact OG-N 3.24Å; S462-W465 PolarHBondContact N-O 3.5Å; S462-W465 CarbonylContact O-C 3.56Å; S462-W465 PolarHBondContact O-N 3.32Å; S462-W465 WeakPolarHBondContact OG-CB 3.28Å; S462-W465 PolarHBondContact OG-N 3.09Å; S462-W465 VanDerWaalsContact OG-N 3.12Å
463	K	90.5	Very high	93.6	Very high	186 Å²	186	66.3 Å²	66.3	81%	0.809	31%	0.309	S	S	*	.	S	Bend	trans	-56.6	-25.8	173.8	-67.4	-172.6	178.6	-177.2	0	113.3	T430	T430-K463 VanDerWaalsContact CA-O 3.26Å; T430-K463 WeakPolarHBondContact CA-O 3.37Å; T430-K463 VanDerWaalsContact O-O 3.13Å
464	S	91.2	Very high	93.6	Very high	25 Å²	25	69.9 Å²	69.9	18%	0.175	33%	0.325	C	S	.	.	S	Bend	trans	-95.8	-30.2	-178.6	-62.2	0	0	0	0	113.4	K429 Q432 S433 S462	K429-S464 VanDerWaalsContact O-CA 3.29Å; K429-S464 WeakPolarHBondContact O-CA 3.35Å; K429-S464 WeakPolarHBondContact O-CB 3.26Å; K429-S464 PolarHBondContact O-OG 3.27Å; Q432-S464 VanDerWaalsContact OE1-CB 3.32Å; S433-S464 WeakPolarHBondContact CB-O 3.48Å; S433-S464 PolarHBondContact N-O 2.92Å; S433-S464 PolarHBondContact OG-O 3.09Å; S433-S464 VanDerWaalsContact OG-O 3.06Å; S462-S464 PolarHBondContact O-N 3.39Å; S462-S464 VanDerWaalsContact O-N 3.11Å; S462-S464 PolarHBondContact OG-N 3.24Å
465	W	94	Very high	93.7	Very high	7 Å²	7	77.3 Å²	77.3	3%	0.027	36%	0.359	C	S	.	.			trans	-119.2	96.7	-170	-59.5	109	0	0	0	110.2	L420 A423 Q432 L436 H457 M458 P461 S462 M470	L420-W465 HydrophobicContact CD1-CH2 4.43Å; L420-W465 HydrophobicContact CD1-CZ2 3.86Å; A423-W465 HydrophobicContact CB-CH2 3.53Å; A423-W465 HydrophobicContact CB-CZ2 4.29Å; A423-W465 HydrophobicContact CB-CZ3 4.29Å; Q432-W465 HydrophobicContact CB-CH2 4.21Å; Q432-W465 HydrophobicContact CB-CZ2 4.19Å; L436-W465 HydrophobicContact CD2-CZ3 4.19Å; H457-W465 AromaticContact CD2-CD1 3.99Å; H457-W465 AromaticContact CD2-NE1 3.51Å; H457-W465 AromaticContact NE2-NE1 3.61Å; M458-W465 HydrophobicContact CB-CD2 3.92Å; M458-W465 HydrophobicContact CB-CE3 3.88Å; M458-W465 HydrophobicContact CB-CG 4.48Å; M458-W465 HydrophobicContact CB-CH2 4.39Å; M458-W465 HydrophobicContact CB-CZ2 4.4Å; M458-W465 HydrophobicContact CB-CZ3 4.13Å; M458-W465 HydrophobicContact CE-CE3 4.32Å; M458-W465 HydrophobicContact CE-CH2 3.48Å; M458-W465 VanDerWaalsContact CE-CH2 3.48Å; M458-W465 HydrophobicContact CE-CZ2 4.33Å; M458-W465 HydrophobicContact CE-CZ3 3.47Å; M458-W465 VanDerWaalsContact CE-CZ3 3.47Å; M458-W465 HydrophobicContact CG-CD2 4Å; M458-W465 HydrophobicContact CG-CE3 4.09Å; M458-W465 HydrophobicContact CG-CH2 3.72Å; M458-W465 HydrophobicContact CG-CZ2 3.58Å; M458-W465 HydrophobicContact CG-CZ3 3.96Å; M458-W465 WeakPolarHBondContact O-CB 3.36Å; M458-W465 HydrophobicContact SD-CH2 4Å; M458-W465 HydrophobicContact SD-CZ2 4.29Å; M458-W465 HydrophobicContact SD-CZ3 4.38Å; P461-W465 WeakPolarHBondContact CA-O 3.21Å; S462-W465 PolarHBondContact N-O 3.5Å; S462-W465 CarbonylContact O-C 3.56Å; S462-W465 PolarHBondContact O-N 3.32Å; S462-W465 WeakPolarHBondContact OG-CB 3.28Å; S462-W465 PolarHBondContact OG-N 3.09Å; S462-W465 VanDerWaalsContact OG-N 3.12Å; W465-M470 HydrophobicContact CE3-CG 4.34Å; W465-M470 HydrophobicContact CE3-SD 3.74Å; W465-M470 HydrophobicContact CZ3-SD 3.94Å
466	D	94.6	Very high	93.9	Very high	67 Å²	67	80 Å²	80	36%	0.358	37%	0.372	S	S	.	.			trans	-78.4	133.2	172.9	176.1	-95.1	0	0	0	110.8	S433 R468 N469 M470	S433-D466 PolarHBondContact OG-N 2.95Å; D466-R468 PolarHBondContact O-N 2.97Å; D466-R468 VanDerWaalsContact OD1-CA 3.32Å; D466-R468 WeakPolarHBondContact OD1-CA 3.48Å; D466-R468 WeakPolarHBondContact OD1-CB 3.11Å; D466-R468 PolarHBondContact OD1-N 3.37Å; D466-N469 HydrophobicContact CB-CB 4.26Å; D466-N469 PolarHBondContact O-N 3.49Å; D466-N469 PolarHBondContact OD1-N 3.48Å; D466-M470 WeakPolarHBondContact O-CG 3.45Å; D466-M470 PolarHBondContact O-N 3.13Å
467	R	94.1	Very high	94	Very high	164 Å²	164	76.8 Å²	76.8	62%	0.619	36%	0.359	S	S	*	.	H	α-helix	trans	-67.2	-34.8	-176.4	-173.3	176.3	178.8	177.1	-2.1	112.5	P461 N471	P461-R467 HydrophobicContact CG-CB 4.31Å; R467-N471 VanDerWaalsContact O-CB 3.31Å; R467-N471 WeakPolarHBondContact O-CB 3.48Å; R467-N471 PolarHBondContact O-N 3.2Å; R467-N471 PolarHBondContact O-ND2 3.03Å; R467-N471 PolarHBondContact O-OD1 3.36Å
468	R	94.4	Very high	94.3	Very high	206 Å²	206	76.8 Å²	76.8	78%	0.777	36%	0.359	S	S	*	.	H	α-helix	trans	-69.4	-43.6	-178.3	-55.9	175.8	176.9	169.2	-0.9	109.8	D466 N471 L472	D466-R468 PolarHBondContact O-N 2.97Å; D466-R468 VanDerWaalsContact OD1-CA 3.32Å; D466-R468 WeakPolarHBondContact OD1-CA 3.48Å; D466-R468 WeakPolarHBondContact OD1-CB 3.11Å; D466-R468 PolarHBondContact OD1-N 3.37Å; R468-N471 PolarHBondContact O-N 3.39Å; R468-L472 WeakPolarHBondContact O-CB 3.26Å; R468-L472 PolarHBondContact O-N 3.24Å
469	N	94.6	Very high	94.4	Very high	37 Å²	37	77.9 Å²	77.9	20%	0.198	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-49.6	175.9	-69.3	-14.8	0	0	0	111.7	S433 L437 D466 L472 I473	S433-N469 PolarHBondContact OG-ND2 3.32Å; L437-N469 HydrophobicContact CD2-CB 4.17Å; L437-N469 WeakPolarHBondContact CD2-OD1 3.46Å; D466-N469 HydrophobicContact CB-CB 4.26Å; D466-N469 PolarHBondContact O-N 3.49Å; D466-N469 PolarHBondContact OD1-N 3.48Å; N469-L472 PolarHBondContact O-N 3.12Å; N469-I473 WeakPolarHBondContact O-CG1 3.35Å; N469-I473 PolarHBondContact O-N 3.4Å
470	M	96.1	Very high	94.6	Very high	2 Å²	2	75.9 Å²	75.9	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-40.1	-179.1	-67.1	-56.3	-56.9	0	0	112.8	L436 M458 L459 W465 D466 L472 I473 Q474 F481	L436-M470 HydrophobicContact CD2-SD 4.33Å; M458-M470 HydrophobicContact CB-CE 4.07Å; M458-M470 HydrophobicContact CE-CE 3.99Å; M458-M470 WeakPolarHBondContact O-CG 3.29Å; L459-M470 HydrophobicContact CD2-CE 4.43Å; W465-M470 HydrophobicContact CE3-CG 4.34Å; W465-M470 HydrophobicContact CE3-SD 3.74Å; W465-M470 HydrophobicContact CZ3-SD 3.94Å; D466-M470 WeakPolarHBondContact O-CG 3.45Å; D466-M470 PolarHBondContact O-N 3.13Å; M470-L472 VanDerWaalsContact C-N 3.32Å; M470-L472 PolarHBondContact O-N 2.97Å; M470-I473 PolarHBondContact O-N 3.24Å; M470-I473 HydrophobicContact SD-CD1 3.93Å; M470-Q474 WeakPolarHBondContact O-CG 3.41Å; M470-Q474 PolarHBondContact O-N 2.93Å; M470-F481 HydrophobicContact CE-CE1 3.65Å; M470-F481 HydrophobicContact CE-CZ 3.66Å
471	N	95.8	Very high	94.6	Very high	68 Å²	68	69 Å²	69	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-42.5	173.8	-74.6	-10.2	0	0	0	111.7	R467 R468 Q474 Q475	R467-N471 VanDerWaalsContact O-CB 3.31Å; R467-N471 WeakPolarHBondContact O-CB 3.48Å; R467-N471 PolarHBondContact O-N 3.2Å; R467-N471 PolarHBondContact O-ND2 3.03Å; R467-N471 PolarHBondContact O-OD1 3.36Å; R468-N471 PolarHBondContact O-N 3.39Å; N471-Q474 PolarHBondContact O-N 3.05Å; N471-Q475 WeakPolarHBondContact O-CG 3.47Å; N471-Q475 PolarHBondContact O-N 2.65Å
472	L	95.8	Very high	94.6	Very high	60 Å²	60	64.6 Å²	64.6	31%	0.314	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-40.4	179	-177.8	59.3	0	0	0	111.7	L437 R468 N469 M470 Q475 K476	L437-L472 HydrophobicContact CD1-CB 4.34Å; L437-L472 HydrophobicContact CD1-CD2 3.82Å; L437-L472 HydrophobicContact CD1-CG 4.03Å; L437-L472 HydrophobicContact CD2-CD2 4.08Å; R468-L472 WeakPolarHBondContact O-CB 3.26Å; R468-L472 PolarHBondContact O-N 3.24Å; N469-L472 PolarHBondContact O-N 3.12Å; M470-L472 VanDerWaalsContact C-N 3.32Å; M470-L472 PolarHBondContact O-N 2.97Å; L472-Q475 PolarHBondContact O-N 3.12Å; L472-K476 HydrophobicContact CD1-CD 4.04Å; L472-K476 HydrophobicContact CD1-CG 4.36Å; L472-K476 HydrophobicContact CG-CD 4.19Å; L472-K476 WeakPolarHBondContact O-CG 3.3Å; L472-K476 PolarHBondContact O-N 3.44Å
473	I	95.7	Very high	94.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-50	173.1	-66.7	163	0	0	0	109.9	L436 L437 V440 V452 N469 M470 Q475 K476 V477	L436-I473 HydrophobicContact CB-CD1 4.38Å; L436-I473 HydrophobicContact CD2-CD1 4Å; L436-I473 HydrophobicContact CG-CD1 3.86Å; L437-I473 HydrophobicContact CB-CD1 4.11Å; L437-I473 HydrophobicContact CB-CG1 4.23Å; L437-I473 HydrophobicContact CD1-CG1 3.74Å; V440-I473 HydrophobicContact CG1-CG2 4.41Å; V440-I473 HydrophobicContact CG2-CG2 4.3Å; V452-I473 HydrophobicContact CG2-CG2 4.2Å; N469-I473 WeakPolarHBondContact O-CG1 3.35Å; N469-I473 PolarHBondContact O-N 3.4Å; M470-I473 PolarHBondContact O-N 3.24Å; M470-I473 HydrophobicContact SD-CD1 3.93Å; I473-Q475 PolarHBondContact O-N 3.4Å; I473-K476 PolarHBondContact O-N 3.48Å; I473-K476 VanDerWaalsContact O-N 3.08Å; I473-V477 HydrophobicContact CG2-CG2 3.83Å; I473-V477 WeakPolarHBondContact O-CG2 3.46Å; I473-V477 PolarHBondContact O-N 3.41Å
474	Q	96	Very high	93.9	Very high	82 Å²	82	59.8 Å²	59.8	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-25.2	-179.3	-68.7	179.2	-88.7	0	0	114.2	M470 N471 C479 F481	M470-Q474 WeakPolarHBondContact O-CG 3.41Å; M470-Q474 PolarHBondContact O-N 2.93Å; N471-Q474 PolarHBondContact O-N 3.05Å; Q474-C479 HydrophobicContact CG-CB 4.24Å; Q474-F481 HydrophobicContact CG-CE2 4.06Å; Q474-F481 HydrophobicContact CG-CZ 4.35Å
475	Q	95.6	Very high	93	Very high	157 Å²	157	64.9 Å²	64.9	73%	0.734	30%	0.301	S	S	*	.	H	α-helix	trans	-77.7	-27.7	175	-75	173.2	-5.7	0	0	112.8	N471 L472 I473	N471-Q475 WeakPolarHBondContact O-CG 3.47Å; N471-Q475 PolarHBondContact O-N 2.65Å; L472-Q475 PolarHBondContact O-N 3.12Å; I473-Q475 PolarHBondContact O-N 3.4Å
476	K	94.5	Very high	92	Very high	79 Å²	79	64.8 Å²	64.8	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-96	-36.8	-172.9	-73.9	-178.2	152.8	-74.3	0	113.8	L441 E444 L472 I473	L441-K476 HydrophobicContact CD2-CD 3.51Å; E444-K476 IonicContact OE1-NZ 2.62Å; E444-K476 PolarHBondContact OE1-NZ 3.5Å; E444-K476 IonicContact OE2-NZ 3.94Å; E444-K476 PolarHBondContact OE2-NZ 3.4Å; L472-K476 HydrophobicContact CD1-CD 4.04Å; L472-K476 HydrophobicContact CD1-CG 4.36Å; L472-K476 HydrophobicContact CG-CD 4.19Å; L472-K476 WeakPolarHBondContact O-CG 3.3Å; L472-K476 PolarHBondContact O-N 3.44Å; I473-K476 PolarHBondContact O-N 3.48Å; I473-K476 VanDerWaalsContact O-N 3.08Å
477	V	96.2	Very high	90.7	Very high	16 Å²	16	64.4 Å²	64.4	10%	0.097	30%	0.298	C	S	.	.	S	Bend	trans	-132.3	164.6	-173.9	-59	0	0	0	0	111.7	V440 I450 V452 I473	V440-V477 HydrophobicContact CG1-CB 4.42Å; V440-V477 HydrophobicContact CG1-CG1 3.69Å; V440-V477 HydrophobicContact CG1-CG2 3.78Å; I450-V477 HydrophobicContact CB-CB 4.09Å; I450-V477 HydrophobicContact CB-CG1 3.82Å; I450-V477 HydrophobicContact CD1-CG1 4.14Å; I450-V477 HydrophobicContact CG2-CB 4.25Å; I450-V477 HydrophobicContact CG2-CG1 4.11Å; V452-V477 HydrophobicContact CB-CG2 4.47Å; V452-V477 HydrophobicContact CG2-CG2 3.62Å; I473-V477 HydrophobicContact CG2-CG2 3.83Å; I473-V477 WeakPolarHBondContact O-CG2 3.46Å; I473-V477 PolarHBondContact O-N 3.41Å
478	H	97.2	Very high	89.5	Confident	58 Å²	58	57.8 Å²	57.8	27%	0.269	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	135.6	173.1	-61	-54.6	0	0	0	109.6	F406 F413 I450 L451 V452	F406-H478 HydrophobicContact CZ-CB 4.37Å; F413-H478 HydrophobicContact CE1-CB 3.95Å; F413-H478 AromaticContact CE1-CD2 3.6Å; I450-H478 WeakPolarHBondContact O-CB 3.38Å; I450-H478 PolarHBondContact O-N 3.37Å; L451-H478 CarbonylContact C-O 3.51Å; L451-H478 WeakPolarHBondContact CA-O 3.49Å; L451-H478 HydrophobicContact CD1-CB 4.2Å; V452-H478 PolarHBondContact N-O 3.11Å
479	C	96.6	Very high	88.5	Confident	24 Å²	24	49 Å²	49	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141	178.9	-61.7	0	0	0	0	111	V452 Q474 F481	V452-C479 VanDerWaalsContact O-CA 3.31Å; V452-C479 WeakPolarHBondContact O-CA 3.29Å; Q474-C479 HydrophobicContact CG-CB 4.24Å; C479-F481 HydrophobicContact CB-CD2 4.26Å; C479-F481 HydrophobicContact CB-CE2 3.51Å; C479-F481 HydrophobicContact CB-CZ 4.04Å
480	F	95.9	Very high	88	Confident	27 Å²	27	47.2 Å²	47.2	12%	0.118	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.2	168.6	-167.4	-85.6	0	0	0	109.6	F403 F406 L451 V452 L453 G454 T482	F403-F480 HydrophobicContact CB-CE1 3.92Å; F403-F480 HydrophobicContact CB-CE2 4.21Å; F403-F480 HydrophobicContact CB-CZ 3.7Å; F403-F480 HydrophobicContact CD2-CB 4.17Å; F403-F480 AromaticContact CD2-CD1 3.48Å; F403-F480 HydrophobicContact CD2-CD1 3.48Å; F403-F480 VanDerWaalsContact CD2-CD1 3.48Å; F403-F480 AromaticContact CD2-CD2 3.77Å; F403-F480 HydrophobicContact CD2-CD2 3.77Å; F403-F480 AromaticContact CD2-CE1 3.68Å; F403-F480 HydrophobicContact CD2-CE1 3.68Å; F403-F480 AromaticContact CD2-CE2 3.95Å; F403-F480 HydrophobicContact CD2-CE2 3.95Å; F403-F480 AromaticContact CD2-CG 3.53Å; F403-F480 HydrophobicContact CD2-CG 3.53Å; F403-F480 AromaticContact CD2-CZ 3.91Å; F403-F480 HydrophobicContact CD2-CZ 3.91Å; F403-F480 HydrophobicContact CE2-CB 4.04Å; F403-F480 HydrophobicContact CE2-CD1 4.01Å; F403-F480 HydrophobicContact CE2-CD2 4.44Å; F403-F480 AromaticContact CE2-CG 3.92Å; F403-F480 HydrophobicContact CE2-CG 3.92Å; F403-F480 HydrophobicContact CG-CD1 4.42Å; F403-F480 HydrophobicContact CG-CE1 4.22Å; F403-F480 HydrophobicContact CG-CZ 4.32Å; F406-F480 HydrophobicContact CB-CD2 4.09Å; F406-F480 HydrophobicContact CB-CE2 4.06Å; F406-F480 HydrophobicContact CD1-CB 4.46Å; F406-F480 AromaticContact CD1-CD2 3.89Å; F406-F480 HydrophobicContact CD1-CD2 3.89Å; F406-F480 HydrophobicContact CD2-CD2 4.15Å; F406-F480 HydrophobicContact CE1-CB 4.22Å; F406-F480 HydrophobicContact CE1-CD2 4.36Å; F406-F480 AromaticContact CG-CD2 3.78Å; F406-F480 HydrophobicContact CG-CD2 3.78Å; F406-F480 HydrophobicContact CG-CE2 4.25Å; L451-F480 HydrophobicContact CD1-CB 4.36Å; V452-F480 PolarHBondContact O-N 3.08Å; L453-F480 WeakPolarHBondContact CA-O 3.35Å; L453-F480 HydrophobicContact CD2-CB 4.11Å; G454-F480 PolarHBondContact N-O 3.1Å; F480-T482 HydrophobicContact CD1-CG2 3.98Å; F480-T482 HydrophobicContact CE1-CG2 3.91Å
481	F	93.9	Very high	87.7	Confident	25 Å²	25	47.2 Å²	47.2	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	110.2	-176.1	-65.4	-85.1	0	0	0	110.9	G454 R455 K456 M458 L459 M470 Q474 C479	G454-F481 CarbonylContact O-C 3.55Å; G454-F481 VanDerWaalsContact O-CA 3.27Å; G454-F481 WeakPolarHBondContact O-CA 3.48Å; R455-F481 WeakPolarHBondContact O-CD1 3.35Å; K456-F481 HydrophobicContact CG-CB 4.36Å; M458-F481 HydrophobicContact CB-CE1 4.26Å; M458-F481 HydrophobicContact CE-CE1 4.35Å; L459-F481 HydrophobicContact CD1-CB 4.31Å; L459-F481 HydrophobicContact CD1-CD1 4.41Å; L459-F481 HydrophobicContact CD1-CD2 3.85Å; L459-F481 HydrophobicContact CD1-CE2 4.25Å; L459-F481 HydrophobicContact CD1-CG 3.93Å; L459-F481 HydrophobicContact CD2-CD1 4.35Å; L459-F481 HydrophobicContact CD2-CD2 4.17Å; L459-F481 HydrophobicContact CD2-CE1 3.95Å; L459-F481 HydrophobicContact CD2-CE2 3.73Å; L459-F481 HydrophobicContact CD2-CG 4.46Å; L459-F481 HydrophobicContact CD2-CZ 3.62Å; L459-F481 HydrophobicContact CG-CD1 4.13Å; L459-F481 HydrophobicContact CG-CD2 4.24Å; L459-F481 HydrophobicContact CG-CE1 4.2Å; L459-F481 HydrophobicContact CG-CE2 4.29Å; L459-F481 HydrophobicContact CG-CG 4.16Å; L459-F481 HydrophobicContact CG-CZ 4.28Å; M470-F481 HydrophobicContact CE-CE1 3.65Å; M470-F481 HydrophobicContact CE-CZ 3.66Å; Q474-F481 HydrophobicContact CG-CE2 4.06Å; Q474-F481 HydrophobicContact CG-CZ 4.35Å; C479-F481 HydrophobicContact CB-CD2 4.26Å; C479-F481 HydrophobicContact CB-CE2 3.51Å; C479-F481 HydrophobicContact CB-CZ 4.04Å
482	T	90.6	Very high	87.5	Confident	3 Å²	3	44 Å²	44	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	164.3	178	58.9	0	0	0	0	111.7	E399 G454 R455 K456 F480 F491	E399-T482 WeakPolarHBondContact OE1-CA 3.46Å; E399-T482 WeakPolarHBondContact OE1-CB 3.39Å; G454-T482 PolarHBondContact O-N 3.11Å; G454-T482 PolarHBondContact O-OG1 3.21Å; R455-T482 CarbonylContact C-O 3.54Å; R455-T482 WeakPolarHBondContact CA-O 3.37Å; R455-T482 WeakPolarHBondContact CD-OG1 3.39Å; K456-T482 WeakPolarHBondContact CG-O 3.48Å; K456-T482 PolarHBondContact N-O 3.49Å; F480-T482 HydrophobicContact CD1-CG2 3.98Å; F480-T482 HydrophobicContact CE1-CG2 3.91Å; T482-F491 HydrophobicContact CG2-CD1 3.94Å; T482-F491 HydrophobicContact CG2-CD2 3.87Å; T482-F491 HydrophobicContact CG2-CE1 3.82Å; T482-F491 HydrophobicContact CG2-CE2 3.73Å; T482-F491 HydrophobicContact CG2-CG 3.98Å; T482-F491 HydrophobicContact CG2-CZ 3.7Å
483	E	87.7	Confident	87.3	Confident	77 Å²	77	41.2 Å²	41.2	36%	0.36	20%	0.201	S	C	.	.			trans	-58.6	152.4	170.4	-66.7	-62.1	164.4	0	0	111.5	E399 R455 K456 I485 S486	E399-E483 PolarHBondContact OE1-N 3.17Å; R455-E483 PolarHBondContact NH1-O 3.1Å; K456-E483 WeakPolarHBondContact CE-OE1 3.21Å; K456-E483 IonicContact NZ-OE1 3.65Å; K456-E483 PolarHBondContact NZ-OE1 3.21Å; E483-I485 HydrophobicContact CB-CG1 4.16Å; E483-I485 PolarHBondContact O-N 3.31Å; E483-I485 VanDerWaalsContact O-N 3.13Å; E483-S486 WeakPolarHBondContact CB-OG 3.45Å; E483-S486 PolarHBondContact O-N 2.69Å; E483-S486 PolarHBondContact O-OG 2.99Å
484	N	81.9	Confident	87.1	Confident	71 Å²	71	41.7 Å²	41.7	38%	0.38	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.5	-176.5	-61	-40.1	0	0	0	113.7	R455 H457	R455-N484 WeakPolarHBondContact CB-OD1 3.34Å; R455-N484 PolarHBondContact NH1-O 3.22Å; R455-N484 VanDerWaalsContact NH1-O 3.16Å; H457-N484 WeakPolarHBondContact CB-OD1 3.41Å; H457-N484 PolarHBondContact N-OD1 3.3Å; H457-N484 PolarHBondContact ND1-OD1 3.01Å
485	I	72	Confident	87.1	Confident	132 Å²	132	37.8 Å²	37.8	68%	0.677	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-16.7	-178.8	59.1	171	0	0	0	113.2	E483	E483-I485 HydrophobicContact CB-CG1 4.16Å; E483-I485 PolarHBondContact O-N 3.31Å; E483-I485 VanDerWaalsContact O-N 3.13Å
486	S	71.9	Confident	87.1	Confident	5 Å²	5	30.3 Å²	30.3	4%	0.035	15%	0.15	C	C	.	.	S	Bend	trans	-66.6	157.7	-175.9	-46	0	0	0	0	111.6	E399 R455 E483	E399-S486 WeakPolarHBondContact OE2-CB 3.34Å; E399-S486 PolarHBondContact OE2-OG 2.88Å; R455-S486 PolarHBondContact NH1-O 3.31Å; R455-S486 PolarHBondContact NH2-O 2.76Å; E483-S486 WeakPolarHBondContact CB-OG 3.45Å; E483-S486 PolarHBondContact O-N 2.69Å; E483-S486 PolarHBondContact O-OG 2.99Å
487	E	68.9	Low	87.1	Confident	60 Å²	60	26.6 Å²	26.6	28%	0.28	13%	0.134	S	C	.	.			trans	-83	136.3	168.4	-62.9	-158.4	159.3	0	0	109.9	K394 T395 P490 F491	K394-E487 HydrophobicContact CB-CG 4.06Å; K394-E487 HydrophobicContact CD-CG 4.07Å; K394-E487 WeakPolarHBondContact CD-OE1 3.44Å; K394-E487 WeakPolarHBondContact CE-OE1 3.3Å; K394-E487 IonicContact NZ-OE1 3.01Å; K394-E487 PolarHBondContact NZ-OE1 2.83Å; T395-E487 PolarHBondContact OG1-N 3Å; T395-E487 VanDerWaalsContact OG1-N 3.16Å; E487-P490 HydrophobicContact CB-CG 4.38Å; E487-F491 WeakPolarHBondContact O-CD2 3.48Å; E487-F491 WeakPolarHBondContact O-CE2 3.44Å
488	D	67.2	Low	87.1	Confident	24 Å²	24	28.9 Å²	28.9	13%	0.128	14%	0.143	C	C	.	.	S	Bend	trans	-76.8	-34.5	-176.6	-73.7	-43.2	0	0	0	112.4	R455 F491 L492	R455-D488 IonicContact CZ-OD1 3.66Å; R455-D488 IonicContact CZ-OD2 2.6Å; R455-D488 VanDerWaalsContact NE-CG 3.34Å; R455-D488 IonicContact NE-OD1 2.93Å; R455-D488 PolarHBondContact NE-OD1 3.03Å; R455-D488 IonicContact NE-OD2 3.22Å; R455-D488 PolarHBondContact NE-OD2 3.33Å; R455-D488 IonicContact NH2-OD1 2.6Å; R455-D488 PolarHBondContact NH2-OD1 3.43Å; R455-D488 VanDerWaalsContact NH2-OD1 3.15Å; R455-D488 IonicContact NH2-OD2 3.94Å; R455-D488 PolarHBondContact NH2-OD2 3.18Å; D488-F491 PolarHBondContact O-N 3.46Å; D488-L492 PolarHBondContact O-N 3.04Å; D488-L492 VanDerWaalsContact O-N 3.16Å
489	D	74.8	Confident	87	Confident	22 Å²	22	26.6 Å²	26.6	12%	0.118	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-38.9	-168.5	-58.3	-40.4	0	0	0	114.8	F491 L492 L493 H514	D489-F491 VanDerWaalsContact C-N 3.27Å; D489-F491 PolarHBondContact O-N 2.77Å; D489-L492 PolarHBondContact O-N 3.39Å; D489-L493 VanDerWaalsContact O-CB 3.31Å; D489-L493 WeakPolarHBondContact O-CB 3.4Å; D489-L493 VanDerWaalsContact O-CG 3.27Å; D489-L493 WeakPolarHBondContact O-CG 3.43Å; D489-L493 PolarHBondContact O-N 2.85Å; D489-H514 WeakPolarHBondContact CB-CE1 3.26Å; D489-H514 WeakPolarHBondContact CB-NE2 3.45Å; D489-H514 IonicContact OD2-CD2 2.91Å; D489-H514 IonicContact OD2-CE1 2.77Å; D489-H514 IonicContact OD2-NE2 2.72Å; D489-H514 PolarHBondContact OD2-NE2 2.85Å
490	P	83.8	Confident	86.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-36.2	176.8	-24.1	35.3	0	0	0	112.9	V391 E487 Y494	V391-P490 HydrophobicContact CG1-CB 4.43Å; V391-P490 HydrophobicContact CG1-CG 4.36Å; V391-P490 HydrophobicContact CG2-CB 4.45Å; V391-P490 HydrophobicContact CG2-CG 4.08Å; E487-P490 HydrophobicContact CB-CG 4.38Å; P490-Y494 WeakPolarHBondContact O-CB 3.44Å; P490-Y494 PolarHBondContact O-N 3.46Å
491	F	89.3	Confident	86.9	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-71.6	-43.8	178.9	-59.7	-87	0	0	0	111.1	T395 E399 L400 F403 L453 T482 E487 D488 D489 Y494 A495	T395-F491 HydrophobicContact CG2-CE2 3.75Å; T395-F491 HydrophobicContact CG2-CZ 3.46Å; T395-F491 VanDerWaalsContact CG2-CZ 3.46Å; E399-F491 HydrophobicContact CG-CE1 4.18Å; E399-F491 HydrophobicContact CG-CZ 3.97Å; L400-F491 HydrophobicContact CD1-CE1 4.43Å; F403-F491 HydrophobicContact CB-CD1 3.77Å; F403-F491 HydrophobicContact CB-CE1 3.8Å; F403-F491 HydrophobicContact CD1-CB 4.31Å; F403-F491 AromaticContact CD1-CD1 3.49Å; F403-F491 HydrophobicContact CD1-CD1 3.49Å; F403-F491 VanDerWaalsContact CD1-CD1 3.49Å; F403-F491 HydrophobicContact CD1-CE1 4.3Å; F403-F491 HydrophobicContact CD1-CG 4.35Å; F403-F491 HydrophobicContact CD2-CD1 4Å; F403-F491 HydrophobicContact CE1-CB 3.86Å; F403-F491 AromaticContact CE1-CD1 3.93Å; F403-F491 HydrophobicContact CE1-CD1 3.93Å; F403-F491 HydrophobicContact CE1-CG 4.39Å; F403-F491 VanDerWaalsContact CE1-O 3.26Å; F403-F491 WeakPolarHBondContact CE1-O 3.19Å; F403-F491 HydrophobicContact CE2-CD1 4.41Å; F403-F491 AromaticContact CG-CD1 3.48Å; F403-F491 HydrophobicContact CG-CD1 3.48Å; F403-F491 VanDerWaalsContact CG-CD1 3.48Å; F403-F491 HydrophobicContact CG-CE1 4.06Å; F403-F491 HydrophobicContact CZ-CB 3.95Å; F403-F491 HydrophobicContact CZ-CD1 4.34Å; F403-F491 WeakPolarHBondContact CZ-O 3.49Å; L453-F491 HydrophobicContact CD1-CB 3.95Å; T482-F491 HydrophobicContact CG2-CD1 3.94Å; T482-F491 HydrophobicContact CG2-CD2 3.87Å; T482-F491 HydrophobicContact CG2-CE1 3.82Å; T482-F491 HydrophobicContact CG2-CE2 3.73Å; T482-F491 HydrophobicContact CG2-CG 3.98Å; T482-F491 HydrophobicContact CG2-CZ 3.7Å; E487-F491 WeakPolarHBondContact O-CD2 3.48Å; E487-F491 WeakPolarHBondContact O-CE2 3.44Å; D488-F491 PolarHBondContact O-N 3.46Å; D489-F491 VanDerWaalsContact C-N 3.27Å; D489-F491 PolarHBondContact O-N 2.77Å; F491-Y494 PolarHBondContact O-N 3.12Å; F491-A495 WeakPolarHBondContact O-CB 3.47Å; F491-A495 PolarHBondContact O-N 3.06Å
492	L	92.1	Very high	86.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-50.1	176.6	-176.8	65.7	0	0	0	111.3	V416 D418 L453 D488 D489 T496 F505 M511	V416-L492 HydrophobicContact CB-CD1 4.16Å; V416-L492 HydrophobicContact CG1-CD1 3.64Å; D418-L492 HydrophobicContact CB-CD1 4.35Å; D418-L492 HydrophobicContact CB-CD2 4.27Å; L453-L492 VanDerWaalsContact CD1-CA 3.46Å; L453-L492 HydrophobicContact CD1-CB 3.98Å; L453-L492 HydrophobicContact CD1-CD1 4.18Å; D488-L492 PolarHBondContact O-N 3.04Å; D488-L492 VanDerWaalsContact O-N 3.16Å; D489-L492 PolarHBondContact O-N 3.39Å; L492-T496 WeakPolarHBondContact O-CB 3.43Å; L492-T496 PolarHBondContact O-N 3.45Å; L492-T496 VanDerWaalsContact O-N 3.1Å; L492-T496 PolarHBondContact O-OG1 2.72Å; L492-F505 HydrophobicContact CD1-CB 4.08Å; L492-F505 HydrophobicContact CD1-CD2 4.44Å; L492-F505 HydrophobicContact CD2-CD2 3.99Å; L492-F505 HydrophobicContact CD2-CE2 4.4Å; L492-F505 HydrophobicContact CG-CD2 4.39Å; L492-M511 HydrophobicContact CD2-CE 4.44Å
493	L	91.2	Very high	87.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-48.1	177.7	-74.7	175.3	0	0	0	111.6	V381 I385 D489 L497 M511 H514 F527 W530	V381-L493 HydrophobicContact CG1-CB 4.31Å; V381-L493 HydrophobicContact CG1-CD1 4.27Å; I385-L493 HydrophobicContact CD1-CD1 4.32Å; I385-L493 HydrophobicContact CG2-CD1 4.01Å; D489-L493 VanDerWaalsContact O-CB 3.31Å; D489-L493 WeakPolarHBondContact O-CB 3.4Å; D489-L493 VanDerWaalsContact O-CG 3.27Å; D489-L493 WeakPolarHBondContact O-CG 3.43Å; D489-L493 PolarHBondContact O-N 2.85Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.27Å; L493-L497 WeakPolarHBondContact O-CG 3.3Å; L493-L497 PolarHBondContact O-N 2.61Å; L493-M511 HydrophobicContact CD1-CE 3.96Å; L493-M511 HydrophobicContact CD2-CE 3.25Å; L493-M511 HydrophobicContact CD2-SD 4.2Å; L493-M511 HydrophobicContact CG-CE 3.44Å; L493-M511 VanDerWaalsContact CG-CE 3.44Å; L493-H514 HydrophobicContact CD1-CB 4.43Å; L493-F527 HydrophobicContact CD1-CE2 4.5Å; L493-F527 HydrophobicContact CD2-CE2 3.74Å; L493-F527 HydrophobicContact CD2-CZ 4.04Å; L493-W530 HydrophobicContact CD2-CH2 3.57Å; L493-W530 HydrophobicContact CD2-CZ3 3.63Å
494	Y	92.6	Very high	87.6	Confident	11 Å²	11	29.8 Å²	29.8	4%	0.043	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-52.1	-179.2	-179.7	-90.4	0	0	0	111.3	M382 I386 F403 K404 V407 K408 P490 F491 T496 H498	M382-Y494 HydrophobicContact CE-CD2 3.75Å; M382-Y494 HydrophobicContact CE-CE2 4.13Å; M382-Y494 HydrophobicContact CE-CG 4.41Å; M382-Y494 HydrophobicContact SD-CD2 3.44Å; M382-Y494 WeakPolarHBondContact SD-CD2 3.49Å; M382-Y494 HydrophobicContact SD-CE2 3.74Å; I386-Y494 HydrophobicContact CD1-CD2 3.99Å; I386-Y494 HydrophobicContact CD1-CG 4.36Å; I386-Y494 HydrophobicContact CG2-CD2 4.49Å; F403-Y494 HydrophobicContact CD1-CD1 4.02Å; F403-Y494 AromaticContact CE1-CD1 3.75Å; F403-Y494 HydrophobicContact CE1-CD1 3.75Å; F403-Y494 HydrophobicContact CE1-CG 4.39Å; K404-Y494 HydrophobicContact CB-CE1 4.2Å; K404-Y494 HydrophobicContact CD-CE2 4.12Å; K404-Y494 HydrophobicContact CG-CD1 4.38Å; K404-Y494 HydrophobicContact CG-CD2 4.24Å; K404-Y494 HydrophobicContact CG-CE1 3.91Å; K404-Y494 HydrophobicContact CG-CE2 3.75Å; V407-Y494 HydrophobicContact CB-CD1 4.43Å; V407-Y494 HydrophobicContact CB-CE1 3.88Å; V407-Y494 HydrophobicContact CG1-CD1 4.41Å; V407-Y494 HydrophobicContact CG1-CE1 3.9Å; V407-Y494 HydrophobicContact CG2-CD1 4.24Å; V407-Y494 HydrophobicContact CG2-CE1 4.17Å; K408-Y494 WeakPolarHBondContact CE-OH 3.35Å; P490-Y494 WeakPolarHBondContact O-CB 3.44Å; P490-Y494 PolarHBondContact O-N 3.46Å; F491-Y494 PolarHBondContact O-N 3.12Å; Y494-T496 VanDerWaalsContact C-N 3.34Å; Y494-T496 PolarHBondContact O-N 2.98Å; Y494-H498 HydrophobicContact CD1-CB 4.47Å; Y494-H498 HydrophobicContact CE1-CB 4.2Å; Y494-H498 AromaticContact CZ-CD2 3.78Å; Y494-H498 WeakPolarHBondContact O-CB 3.16Å; Y494-H498 PolarHBondContact O-N 3.3Å; Y494-H498 PolarHBondContact OH-CD2 2.79Å
495	A	95.2	Very high	88.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-41.9	-176.6	0	0	0	0	0	112.4	F403 V407 V416 L451 F491 S499	F403-A495 HydrophobicContact CE1-CB 4.26Å; F403-A495 HydrophobicContact CZ-CB 3.82Å; V407-A495 HydrophobicContact CG2-CB 4.27Å; V416-A495 HydrophobicContact CG1-CB 4.15Å; V416-A495 HydrophobicContact CG2-CB 3.95Å; L451-A495 HydrophobicContact CD2-CB 3.7Å; F491-A495 WeakPolarHBondContact O-CB 3.47Å; F491-A495 PolarHBondContact O-N 3.06Å; A495-S499 WeakPolarHBondContact O-CB 3.43Å; A495-S499 PolarHBondContact O-N 3.44Å; A495-S499 VanDerWaalsContact O-N 3.1Å; A495-S499 PolarHBondContact O-OG 2.98Å
496	T	95.8	Very high	89.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.9	-51	-179	-46	0	0	0	0	110.6	L492 Y494 H498 S499 G500 C503 F505 W530	L492-T496 WeakPolarHBondContact O-CB 3.43Å; L492-T496 PolarHBondContact O-N 3.45Å; L492-T496 VanDerWaalsContact O-N 3.1Å; L492-T496 PolarHBondContact O-OG1 2.72Å; Y494-T496 VanDerWaalsContact C-N 3.34Å; Y494-T496 PolarHBondContact O-N 2.98Å; T496-H498 PolarHBondContact O-N 2.78Å; T496-S499 PolarHBondContact O-N 3.32Å; T496-G500 PolarHBondContact O-N 2.89Å; T496-C503 HydrophobicContact CG2-CB 4.17Å; T496-C503 WeakPolarHBondContact CG2-O 3.26Å; T496-F505 HydrophobicContact CG2-CB 4.14Å; T496-F505 HydrophobicContact CG2-CD1 4.03Å; T496-W530 HydrophobicContact CG2-CZ2 3.7Å
497	L	94.9	Very high	90	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.4	-32.2	-178.3	-71.1	169.5	0	0	0	113.3	Y374 L377 K378 V381 M382 L493 W530	Y374-L497 HydrophobicContact CE2-CD2 3.98Å; Y374-L497 VanDerWaalsContact OH-C 3.27Å; Y374-L497 WeakPolarHBondContact OH-CA 3.23Å; Y374-L497 PolarHBondContact OH-O 2.81Å; L377-L497 HydrophobicContact CD2-CD2 4.42Å; K378-L497 HydrophobicContact CG-CB 4.46Å; V381-L497 HydrophobicContact CB-CD1 3.62Å; V381-L497 HydrophobicContact CG1-CD1 3.39Å; V381-L497 HydrophobicContact CG2-CD1 3.94Å; M382-L497 HydrophobicContact CE-CB 3.87Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.27Å; L493-L497 WeakPolarHBondContact O-CG 3.3Å; L493-L497 PolarHBondContact O-N 2.61Å; L497-W530 HydrophobicContact CD2-CD2 4.27Å; L497-W530 HydrophobicContact CD2-CZ2 4.05Å; L497-W530 HydrophobicContact CG-CZ2 4.09Å
498	H	94.9	Very high	90.5	Very high	64 Å²	64	20.9 Å²	20.9	30%	0.296	10%	0.103	S	C	.	.	H	α-helix	trans	-68.1	-39.2	175.2	-176.3	-79.5	0	0	0	111.5	M382 V407 Y494 T496	M382-H498 HydrophobicContact CE-CB 4.43Å; V407-H498 HydrophobicContact CG1-CB 4.26Å; Y494-H498 HydrophobicContact CD1-CB 4.47Å; Y494-H498 HydrophobicContact CE1-CB 4.2Å; Y494-H498 AromaticContact CZ-CD2 3.78Å; Y494-H498 WeakPolarHBondContact O-CB 3.16Å; Y494-H498 PolarHBondContact O-N 3.3Å; Y494-H498 PolarHBondContact OH-CD2 2.79Å; T496-H498 PolarHBondContact O-N 2.78Å
499	S	96.3	Very high	90.9	Very high	11 Å²	11	22 Å²	22	8%	0.077	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-35.7	-179.3	-61.1	0	0	0	0	112.5	A412 F413 A495 T496 H502	A412-S499 WeakPolarHBondContact CB-O 3.33Å; F413-S499 WeakPolarHBondContact CD2-OG 3.38Å; F413-S499 PolarHBondContact N-OG 3.41Å; F413-S499 VanDerWaalsContact N-OG 3.16Å; F413-S499 WeakPolarHBondContact O-CB 3.4Å; A495-S499 WeakPolarHBondContact O-CB 3.43Å; A495-S499 PolarHBondContact O-N 3.44Å; A495-S499 VanDerWaalsContact O-N 3.1Å; A495-S499 PolarHBondContact O-OG 2.98Å; T496-S499 PolarHBondContact O-N 3.32Å; S499-H502 PolarHBondContact O-CE1 3.15Å
500	G	94.8	Very high	90.7	Very high	13 Å²	13	22.1 Å²	22.1	13%	0.134	11%	0.109	C	C	.	.			trans	126.8	177.7	170.1	0	0	0	0	0	113.6	Y374 T496 H502 C503	Y374-G500 VanDerWaalsContact CZ-C 3.44Å; Y374-G500 WeakPolarHBondContact OH-CA 3.36Å; Y374-G500 PolarHBondContact OH-O 3.4Å; T496-G500 PolarHBondContact O-N 2.89Å; G500-H502 PolarHBondContact O-N 3.36Å; G500-C503 VanDerWaalsContact O-CB 3.27Å; G500-C503 WeakPolarHBondContact O-CB 2.83Å; G500-C503 PolarHBondContact O-N 2.89Å
501	N	94.7	Very high	90.1	Very high	60 Å²	60	22.2 Å²	22.2	32%	0.321	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-2.5	-174.7	-159.7	29.5	0	0	0	114.4	L369 Y374 H534	L369-N501 PolarHBondContact O-ND2 3.29Å; Y374-N501 HydrophobicContact CD1-CB 4.19Å; Y374-N501 HydrophobicContact CD2-CB 3.63Å; Y374-N501 VanDerWaalsContact CD2-CG 3.5Å; Y374-N501 WeakPolarHBondContact CD2-OD1 3.41Å; Y374-N501 HydrophobicContact CE1-CB 4.37Å; Y374-N501 HydrophobicContact CE2-CB 3.81Å; Y374-N501 HydrophobicContact CG-CB 3.83Å; Y374-N501 PolarHBondContact OH-N 3.42Å; N501-H534 PolarHBondContact O-NE2 2.83Å; N501-H534 VanDerWaalsContact O-NE2 3.09Å; N501-H534 PolarHBondContact OD1-NE2 2.71Å
502	H	94.6	Very high	89.1	Confident	101 Å²	101	25.6 Å²	25.6	47%	0.468	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-17.7	172.9	65.9	-82.2	0	0	0	112.4	D414 S499 G500 L504	D414-H502 IonicContact OD1-CD2 2.72Å; S499-H502 PolarHBondContact O-CE1 3.15Å; G500-H502 PolarHBondContact O-N 3.36Å; H502-L504 PolarHBondContact O-N 3.11Å
503	C	96.4	Very high	87.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.			trans	-77.2	119.7	-170.8	-174.5	0	0	0	0	110.9	F413 D414 T496 G500 H534	F413-C503 VanDerWaalsContact O-CB 3.27Å; F413-C503 WeakPolarHBondContact O-CB 2.84Å; F413-C503 PolarHBondContact O-SG 3.31Å; D414-C503 WeakPolarHBondContact O-CA 3.43Å; T496-C503 HydrophobicContact CG2-CB 4.17Å; T496-C503 WeakPolarHBondContact CG2-O 3.26Å; G500-C503 VanDerWaalsContact O-CB 3.27Å; G500-C503 WeakPolarHBondContact O-CB 2.83Å; G500-C503 PolarHBondContact O-N 2.89Å; C503-H534 PolarHBondContact O-CD2 3.06Å; C503-H534 VanDerWaalsContact O-CD2 3.27Å
504	L	95.7	Very high	86.6	Confident	49 Å²	49	32.2 Å²	32.2	26%	0.257	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	164.2	175.3	-55.7	178	0	0	0	110.5	D414 V415 V416 H502 H534 L536 I553	D414-L504 PolarHBondContact O-N 3.5Å; V415-L504 CarbonylContact C-O 3.57Å; V415-L504 VanDerWaalsContact CA-O 3.27Å; V415-L504 WeakPolarHBondContact CA-O 3.41Å; V415-L504 HydrophobicContact CG2-CB 4.46Å; V416-L504 PolarHBondContact N-O 3.18Å; H502-L504 PolarHBondContact O-N 3.11Å; L504-H534 CarbonylContact C-O 3.59Å; L504-H534 WeakPolarHBondContact CA-O 3.48Å; L504-H534 HydrophobicContact CD2-CB 4.35Å; L504-L536 HydrophobicContact CB-CD1 3.9Å; L504-L536 HydrophobicContact CB-CG 4.11Å; L504-L536 HydrophobicContact CD1-CD1 3.83Å; L504-L536 HydrophobicContact CD1-CD2 4.1Å; L504-L536 HydrophobicContact CD1-CG 4.03Å; L504-I553 HydrophobicContact CD2-CD1 4.24Å
505	F	95.1	Very high	85.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.5	171.8	72.5	-85.6	0	0	0	112.6	V416 L492 T496 M511 W530 Q531 H534 Q535 L536	V416-F505 HydrophobicContact CB-CB 4.4Å; V416-F505 CarbonylContact O-C 3.52Å; V416-F505 WeakPolarHBondContact O-CA 3.39Å; V416-F505 WeakPolarHBondContact O-CB 3.4Å; L492-F505 HydrophobicContact CD1-CB 4.08Å; L492-F505 HydrophobicContact CD1-CD2 4.44Å; L492-F505 HydrophobicContact CD2-CD2 3.99Å; L492-F505 HydrophobicContact CD2-CE2 4.4Å; L492-F505 HydrophobicContact CG-CD2 4.39Å; T496-F505 HydrophobicContact CG2-CB 4.14Å; T496-F505 HydrophobicContact CG2-CD1 4.03Å; F505-M511 HydrophobicContact CE2-SD 4.09Å; F505-M511 HydrophobicContact CZ-SD 3.93Å; F505-W530 HydrophobicContact CD1-CH2 4.02Å; F505-W530 HydrophobicContact CD1-CZ2 4.07Å; F505-W530 AromaticContact CE1-CH2 3.57Å; F505-W530 HydrophobicContact CE1-CH2 3.57Å; F505-W530 AromaticContact CE1-CZ2 3.9Å; F505-W530 HydrophobicContact CE1-CZ2 3.9Å; F505-W530 AromaticContact CE1-CZ3 3.97Å; F505-W530 HydrophobicContact CE1-CZ3 3.97Å; F505-W530 HydrophobicContact CZ-CH2 4.17Å; F505-W530 HydrophobicContact CZ-CZ3 4.31Å; F505-Q531 HydrophobicContact CZ-CG 4.29Å; F505-H534 HydrophobicContact CD1-CB 4.05Å; F505-H534 WeakPolarHBondContact CD1-O 3.04Å; F505-H534 HydrophobicContact CE1-CB 4.05Å; F505-H534 PolarHBondContact N-O 3.37Å; F505-Q535 HydrophobicContact CD2-CG 4.35Å; F505-Q535 HydrophobicContact CE1-CB 3.9Å; F505-Q535 HydrophobicContact CE2-CB 3.86Å; F505-Q535 HydrophobicContact CE2-CG 3.65Å; F505-Q535 HydrophobicContact CZ-CB 3.49Å; F505-Q535 VanDerWaalsContact CZ-CB 3.49Å; F505-Q535 HydrophobicContact CZ-CG 3.82Å; F505-Q535 CarbonylContact O-C 3.52Å; F505-Q535 WeakPolarHBondContact O-CA 3.28Å; F505-L536 PolarHBondContact O-N 3.23Å
506	V	93.1	Very high	83.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	109.9	-180	-172.4	0	0	0	0	108.5	V415 V416 V417 D418 V422 L443 L536 M538 F550	V415-V506 HydrophobicContact CG1-CG2 3.79Å; V416-V506 PolarHBondContact O-N 3.3Å; V417-V506 HydrophobicContact CG1-CB 4.42Å; V417-V506 HydrophobicContact CG2-CB 4.46Å; V417-V506 HydrophobicContact CG2-CG2 4.28Å; D418-V506 VanDerWaalsContact CB-O 3.32Å; D418-V506 WeakPolarHBondContact CB-O 3.36Å; D418-V506 PolarHBondContact N-O 2.95Å; V422-V506 HydrophobicContact CG2-CB 4.3Å; V422-V506 HydrophobicContact CG2-CG1 3.62Å; L443-V506 HydrophobicContact CD1-CG2 3.98Å; V506-L536 HydrophobicContact CG2-CB 3.9Å; V506-L536 HydrophobicContact CG2-CD1 4.05Å; V506-M538 HydrophobicContact CG1-CE 3.66Å; V506-F550 HydrophobicContact CG1-CE1 4.11Å; V506-F550 HydrophobicContact CG2-CE1 4.27Å
507	S	88.6	Confident	82.3	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.014	21%	0.21	C	C	.	.			trans	-153.6	158.5	172	-172.1	0	0	0	0	110.3	D418 D509 Q535	D418-S507 PolarHBondContact OD2-OG 3.11Å; S507-D509 PolarHBondContact OG-N 3.4Å; S507-D509 VanDerWaalsContact OG-N 3.14Å; S507-Q535 PolarHBondContact O-NE2 3.28Å
508	R	78.9	Confident	81.5	Confident	79 Å²	79	39.2 Å²	39.2	30%	0.298	21%	0.211	S	C	.	.	S	Bend	trans	-96.8	-2	167.9	-81.9	-161.1	175.7	166.9	-2.4	112.9	I425	I425-R508 HydrophobicContact CD1-CG 3.95Å; I425-R508 HydrophobicContact CG1-CG 4.13Å; I425-R508 VanDerWaalsContact CG1-CZ 3.47Å; I425-R508 VanDerWaalsContact CG2-CZ 3.45Å
509	D	77.3	Confident	80.2	Confident	47 Å²	47	40.1 Å²	40.1	25%	0.251	22%	0.222	S	C	.	.			trans	-70.4	141.5	176.1	-148.3	-49.3	0	0	0	110.9	S507 M511 Q535	S507-D509 PolarHBondContact OG-N 3.4Å; S507-D509 VanDerWaalsContact OG-N 3.14Å; D509-M511 VanDerWaalsContact C-N 3.32Å; D509-M511 HydrophobicContact CB-CG 4.49Å; D509-M511 PolarHBondContact OD1-N 3.01Å; D509-Q535 PolarHBondContact O-NE2 2.86Å
510	L	68.9	Low	79.6	Confident	24 Å²	24	41.7 Å²	41.7	13%	0.126	23%	0.23	C	C	.	.			trans	-91	-1.9	174	-63.2	176.1	0	0	0	111.7	R512 Q531	L510-R512 VanDerWaalsContact C-N 3.26Å; L510-R512 HydrophobicContact CB-CG 3.93Å; L510-R512 PolarHBondContact O-N 2.69Å; L510-Q531 PolarHBondContact O-NE2 3.28Å
511	M	72.7	Confident	78.8	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	24%	0.238	C	C	.	.			trans	57.4	36.3	174.2	-47.2	-171.7	84.1	0	0	113.1	L492 L493 F505 D509 D513 H514 K515 F527 W530	L492-M511 HydrophobicContact CD2-CE 4.44Å; L493-M511 HydrophobicContact CD1-CE 3.96Å; L493-M511 HydrophobicContact CD2-CE 3.25Å; L493-M511 HydrophobicContact CD2-SD 4.2Å; L493-M511 HydrophobicContact CG-CE 3.44Å; L493-M511 VanDerWaalsContact CG-CE 3.44Å; F505-M511 HydrophobicContact CE2-SD 4.09Å; F505-M511 HydrophobicContact CZ-SD 3.93Å; D509-M511 VanDerWaalsContact C-N 3.32Å; D509-M511 HydrophobicContact CB-CG 4.49Å; D509-M511 PolarHBondContact OD1-N 3.01Å; M511-D513 PolarHBondContact O-N 3.12Å; M511-H514 PolarHBondContact O-N 3.11Å; M511-K515 PolarHBondContact O-N 3.05Å; M511-F527 HydrophobicContact CB-CE1 4.08Å; M511-F527 HydrophobicContact CB-CZ 4.06Å; M511-F527 HydrophobicContact CE-CZ 4.39Å; M511-F527 HydrophobicContact SD-CZ 4.13Å; M511-W530 HydrophobicContact SD-CZ3 4.27Å
512	R	68	Low	78.3	Confident	73 Å²	73	43.8 Å²	43.8	28%	0.275	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-37.1	-170.4	-64.4	179.8	-179.5	-163.4	-5.8	113.2	G82 L510 K515	G82-R512 PolarHBondContact O-NH2 2.86Å; L510-R512 VanDerWaalsContact C-N 3.26Å; L510-R512 HydrophobicContact CB-CG 3.93Å; L510-R512 PolarHBondContact O-N 2.69Å; R512-K515 WeakPolarHBondContact O-CB 3.3Å; R512-K515 PolarHBondContact O-N 3.38Å
513	D	62.8	Low	77.9	Confident	129 Å²	129	39 Å²	39	69%	0.69	22%	0.218	S	C	*	.	H	α-helix	trans	-71.7	-34.8	-176.6	-63.4	-20.8	0	0	0	110.9	M511 K515 A516	M511-D513 PolarHBondContact O-N 3.12Å; D513-K515 VanDerWaalsContact C-N 3.34Å; D513-K515 PolarHBondContact O-N 2.97Å; D513-A516 WeakPolarHBondContact O-CB 3.22Å; D513-A516 PolarHBondContact O-N 3.4Å; D513-A516 VanDerWaalsContact O-N 3.15Å
514	H	67.9	Low	77.3	Confident	11 Å²	11	40.1 Å²	40.1	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-33.4	176.2	-56.7	-67.1	0	0	0	112.9	I385 D489 L493 M511 A516 C517 F527	I385-H514 HydrophobicContact CD1-CB 4.01Å; D489-H514 WeakPolarHBondContact CB-CE1 3.26Å; D489-H514 WeakPolarHBondContact CB-NE2 3.45Å; D489-H514 IonicContact OD2-CD2 2.91Å; D489-H514 IonicContact OD2-CE1 2.77Å; D489-H514 IonicContact OD2-NE2 2.72Å; D489-H514 PolarHBondContact OD2-NE2 2.85Å; L493-H514 HydrophobicContact CD1-CB 4.43Å; M511-H514 PolarHBondContact O-N 3.11Å; H514-A516 PolarHBondContact O-N 3.39Å; H514-C517 PolarHBondContact O-N 3.45Å; H514-F527 HydrophobicContact CB-CZ 4.3Å
515	K	64.1	Low	76.8	Confident	14 Å²	14	41.8 Å²	41.8	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-55.3	-42.7	172.2	-177.9	-157.8	178.1	166.4	0	111.1	F79 M511 R512 D513 C517 L518 R524 F528	F79-K515 HydrophobicContact CB-CD 4.49Å; M511-K515 PolarHBondContact O-N 3.05Å; R512-K515 WeakPolarHBondContact O-CB 3.3Å; R512-K515 PolarHBondContact O-N 3.38Å; D513-K515 VanDerWaalsContact C-N 3.34Å; D513-K515 PolarHBondContact O-N 2.97Å; K515-C517 PolarHBondContact O-N 3.46Å; K515-L518 PolarHBondContact O-N 3.13Å; K515-R524 HydrophobicContact CG-CG 4.4Å; K515-R524 WeakPolarHBondContact O-CD 3.43Å; K515-F528 HydrophobicContact CD-CE1 4.31Å; K515-F528 HydrophobicContact CD-CE2 3.75Å; K515-F528 HydrophobicContact CD-CZ 3.36Å; K515-F528 VanDerWaalsContact CE-CZ 3.41Å; K515-F528 HydrophobicContact CG-CE2 4Å; K515-F528 HydrophobicContact CG-CZ 3.88Å
516	A	60.5	Low	76.6	Confident	84 Å²	84	42.3 Å²	42.3	69%	0.694	23%	0.228	S	C	*	.	H	α-helix	trans	-68.7	-24.8	-176	0	0	0	0	0	112.4	D513 H514 L518	D513-A516 WeakPolarHBondContact O-CB 3.22Å; D513-A516 PolarHBondContact O-N 3.4Å; D513-A516 VanDerWaalsContact O-N 3.15Å; H514-A516 PolarHBondContact O-N 3.39Å; A516-L518 VanDerWaalsContact C-N 3.32Å
517	C	68.8	Low	76.5	Confident	58 Å²	58	42.3 Å²	42.3	39%	0.392	23%	0.228	S	C	.	.	H	α-helix	trans	-77.5	-16.3	177.6	-59.8	0	0	0	0	113.3	I385 H514 K515	I385-C517 HydrophobicContact CG1-CB 4.17Å; H514-C517 PolarHBondContact O-N 3.45Å; K515-C517 PolarHBondContact O-N 3.46Å
518	L	76.5	Confident	76.4	Confident	3 Å²	3	43 Å²	43	2%	0.016	23%	0.231	C	C	.	.			trans	-83.2	120.6	-178.5	-66	174.2	0	0	0	111.3	V381 I385 K515 A516 D520 T523 R524 F527	V381-L518 HydrophobicContact CG2-CD2 4.42Å; I385-L518 HydrophobicContact CD1-CD2 3.81Å; I385-L518 HydrophobicContact CD1-CG 4.14Å; I385-L518 HydrophobicContact CG1-CD2 4.26Å; K515-L518 PolarHBondContact O-N 3.13Å; A516-L518 VanDerWaalsContact C-N 3.32Å; L518-D520 PolarHBondContact O-N 3Å; L518-T523 HydrophobicContact CD1-CG2 4.25Å; L518-T523 HydrophobicContact CD2-CG2 3.89Å; L518-T523 HydrophobicContact CG-CG2 4.45Å; L518-R524 HydrophobicContact CB-CG 3.59Å; L518-R524 HydrophobicContact CD1-CG 4.29Å; L518-R524 WeakPolarHBondContact O-CD 3.04Å; L518-R524 PolarHBondContact O-NE 3.1Å; L518-F527 HydrophobicContact CD1-CB 3.58Å; L518-F527 HydrophobicContact CD1-CD1 4.44Å; L518-F527 HydrophobicContact CD1-CD2 3.95Å; L518-F527 HydrophobicContact CD1-CG 3.73Å
519	P	69.3	Low	77	Confident	82 Å²	82	40.7 Å²	40.7	53%	0.532	22%	0.223	S	C	.	.			trans	-72.1	-36.7	-164.4	26.3	-34.3	0	0	0	113.7	D384 R524	D384-P519 WeakPolarHBondContact OD2-CD 3.27Å; P519-R524 PolarHBondContact O-NH2 2.82Å
520	D	81.8	Confident	77.7	Confident	44 Å²	44	38.5 Å²	38.5	24%	0.235	21%	0.211	C	C	.	.	S	Bend	trans	-114.8	152.9	-171.5	75.3	93.8	0	0	0	114.1	L518 V522 T523 R524	L518-D520 PolarHBondContact O-N 3Å; D520-V522 VanDerWaalsContact C-N 3.28Å; D520-V522 PolarHBondContact O-N 2.87Å; D520-V522 WeakPolarHBondContact OD1-CA 3.23Å; D520-V522 VanDerWaalsContact OD1-CB 3.28Å; D520-V522 WeakPolarHBondContact OD1-CB 3.39Å; D520-V522 PolarHBondContact OD1-N 2.99Å; D520-V522 VanDerWaalsContact OD1-N 3.08Å; D520-T523 PolarHBondContact O-N 2.94Å; D520-T523 PolarHBondContact OD1-N 3.44Å; D520-T523 PolarHBondContact OD1-OG1 2.97Å; D520-T523 VanDerWaalsContact OD1-OG1 3.12Å; D520-T523 VanDerWaalsContact OD2-CB 3.26Å; D520-T523 WeakPolarHBondContact OD2-CB 3.47Å; D520-T523 PolarHBondContact OD2-OG1 3.48Å; D520-R524 PolarHBondContact O-N 3.37Å; D520-R524 VanDerWaalsContact O-N 3.08Å
521	D	78.2	Confident	78.8	Confident	59 Å²	59	38 Å²	38	32%	0.316	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-33.6	-177.2	-68.5	-12.4	0	0	0	112.9	R524 R525	D521-R524 IonicContact OD1-CZ 2.73Å; D521-R524 IonicContact OD1-NH1 3.42Å; D521-R524 PolarHBondContact OD1-NH1 3.24Å; D521-R524 IonicContact OD1-NH2 3.91Å; D521-R524 PolarHBondContact OD1-NH2 3.44Å; D521-R525 WeakPolarHBondContact O-CG 3.44Å; D521-R525 PolarHBondContact O-N 3.4Å
522	V	85	Confident	79.6	Confident	59 Å²	59	39.9 Å²	39.9	36%	0.358	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-49.6	-178.1	-177.1	0	0	0	0	109.3	D520 R524 R525 L526	D520-V522 VanDerWaalsContact C-N 3.28Å; D520-V522 PolarHBondContact O-N 2.87Å; D520-V522 WeakPolarHBondContact OD1-CA 3.23Å; D520-V522 VanDerWaalsContact OD1-CB 3.28Å; D520-V522 WeakPolarHBondContact OD1-CB 3.39Å; D520-V522 PolarHBondContact OD1-N 2.99Å; D520-V522 VanDerWaalsContact OD1-N 3.08Å; V522-R524 VanDerWaalsContact C-N 3.32Å; V522-R524 PolarHBondContact O-N 3.32Å; V522-R525 WeakPolarHBondContact O-CB 3.23Å; V522-R525 PolarHBondContact O-N 3.31Å; V522-L526 HydrophobicContact CG1-CD1 4.41Å; V522-L526 WeakPolarHBondContact O-CG 2.99Å; V522-L526 PolarHBondContact O-N 2.92Å
523	T	86.6	Confident	80.7	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-40.1	178.2	-55.9	0	0	0	0	111.3	L377 R380 L518 D520 R525 L526 F527	L377-T523 HydrophobicContact CD1-CG2 4.29Å; R380-T523 HydrophobicContact CB-CG2 3.57Å; R380-T523 HydrophobicContact CG-CG2 3.87Å; L518-T523 HydrophobicContact CD1-CG2 4.25Å; L518-T523 HydrophobicContact CD2-CG2 3.89Å; L518-T523 HydrophobicContact CG-CG2 4.45Å; D520-T523 PolarHBondContact O-N 2.94Å; D520-T523 PolarHBondContact OD1-N 3.44Å; D520-T523 PolarHBondContact OD1-OG1 2.97Å; D520-T523 VanDerWaalsContact OD1-OG1 3.12Å; D520-T523 VanDerWaalsContact OD2-CB 3.26Å; D520-T523 WeakPolarHBondContact OD2-CB 3.47Å; D520-T523 PolarHBondContact OD2-OG1 3.48Å; T523-R525 PolarHBondContact O-N 3.14Å; T523-L526 PolarHBondContact O-N 2.89Å; T523-F527 WeakPolarHBondContact O-CB 3.36Å; T523-F527 PolarHBondContact O-N 3.19Å
524	R	84.4	Confident	82.1	Confident	23 Å²	23	31.2 Å²	31.2	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-44.2	173.7	-79.1	-176.5	-93.8	106.2	-0.8	112.3	K515 L518 P519 D520 D521 V522 F527 F528	K515-R524 HydrophobicContact CG-CG 4.4Å; K515-R524 WeakPolarHBondContact O-CD 3.43Å; L518-R524 HydrophobicContact CB-CG 3.59Å; L518-R524 HydrophobicContact CD1-CG 4.29Å; L518-R524 WeakPolarHBondContact O-CD 3.04Å; L518-R524 PolarHBondContact O-NE 3.1Å; P519-R524 PolarHBondContact O-NH2 2.82Å; D520-R524 PolarHBondContact O-N 3.37Å; D520-R524 VanDerWaalsContact O-N 3.08Å; D521-R524 IonicContact OD1-CZ 2.73Å; D521-R524 IonicContact OD1-NH1 3.42Å; D521-R524 PolarHBondContact OD1-NH1 3.24Å; D521-R524 IonicContact OD1-NH2 3.91Å; D521-R524 PolarHBondContact OD1-NH2 3.44Å; V522-R524 VanDerWaalsContact C-N 3.32Å; V522-R524 PolarHBondContact O-N 3.32Å; R524-F527 PolarHBondContact O-N 2.95Å; R524-F528 WeakPolarHBondContact O-CD2 3.45Å; R524-F528 PolarHBondContact O-N 2.96Å; R524-F528 VanDerWaalsContact O-N 3.17Å
525	R	85.2	Confident	83.3	Confident	84 Å²	84	31.6 Å²	31.6	32%	0.317	18%	0.178	S	C	.	.	H	α-helix	trans	-61	-45.3	174.7	-77.2	-169.1	-66.2	-90.5	-2.4	112.3	N319 D521 V522 T523 F528 K529	N319-R525 WeakPolarHBondContact OD1-CD 3.32Å; N319-R525 PolarHBondContact OD1-NH1 3.49Å; D521-R525 WeakPolarHBondContact O-CG 3.44Å; D521-R525 PolarHBondContact O-N 3.4Å; V522-R525 WeakPolarHBondContact O-CB 3.23Å; V522-R525 PolarHBondContact O-N 3.31Å; T523-R525 PolarHBondContact O-N 3.14Å; R525-F528 PolarHBondContact O-N 3.47Å; R525-K529 WeakPolarHBondContact O-CB 3.38Å; R525-K529 PolarHBondContact O-N 3.34Å
526	L	90.9	Very high	84.6	Confident	11 Å²	11	31.9 Å²	31.9	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-42.6	178	-69.5	179.2	0	0	0	112	L369 E373 K376 L377 V522 T523 F528 K529 W530	L369-L526 HydrophobicContact CD2-CD2 4.39Å; E373-L526 HydrophobicContact CB-CD1 4.28Å; E373-L526 HydrophobicContact CB-CD2 3.85Å; E373-L526 HydrophobicContact CG-CD1 4.47Å; E373-L526 HydrophobicContact CG-CD2 3.79Å; K376-L526 HydrophobicContact CD-CD1 4.34Å; L377-L526 HydrophobicContact CB-CB 4.35Å; L377-L526 HydrophobicContact CD1-CB 4.27Å; V522-L526 HydrophobicContact CG1-CD1 4.41Å; V522-L526 WeakPolarHBondContact O-CG 2.99Å; V522-L526 PolarHBondContact O-N 2.92Å; T523-L526 PolarHBondContact O-N 2.89Å; L526-F528 VanDerWaalsContact C-N 3.28Å; L526-F528 PolarHBondContact O-N 3.25Å; L526-K529 PolarHBondContact O-N 3.32Å; L526-W530 VanDerWaalsContact O-CB 3.31Å; L526-W530 WeakPolarHBondContact O-CB 3.4Å; L526-W530 PolarHBondContact O-N 3.5Å
527	F	89.9	Confident	85.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.2	-43.7	177.5	-177.5	-92	0	0	0	111.4	L377 V381 L493 M511 H514 L518 T523 R524 W530 Q531	L377-F527 HydrophobicContact CD1-CB 3.8Å; L377-F527 HydrophobicContact CD1-CD2 4.18Å; V381-F527 HydrophobicContact CG2-CD2 3.99Å; V381-F527 HydrophobicContact CG2-CE2 4.36Å; L493-F527 HydrophobicContact CD1-CE2 4.5Å; L493-F527 HydrophobicContact CD2-CE2 3.74Å; L493-F527 HydrophobicContact CD2-CZ 4.04Å; M511-F527 HydrophobicContact CB-CE1 4.08Å; M511-F527 HydrophobicContact CB-CZ 4.06Å; M511-F527 HydrophobicContact CE-CZ 4.39Å; M511-F527 HydrophobicContact SD-CZ 4.13Å; H514-F527 HydrophobicContact CB-CZ 4.3Å; L518-F527 HydrophobicContact CD1-CB 3.58Å; L518-F527 HydrophobicContact CD1-CD1 4.44Å; L518-F527 HydrophobicContact CD1-CD2 3.95Å; L518-F527 HydrophobicContact CD1-CG 3.73Å; T523-F527 WeakPolarHBondContact O-CB 3.36Å; T523-F527 PolarHBondContact O-N 3.19Å; R524-F527 PolarHBondContact O-N 2.95Å; F527-W530 HydrophobicContact CD2-CE3 4.25Å; F527-W530 HydrophobicContact CE2-CE3 4.15Å; F527-W530 AromaticContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CZ-CZ3 4.15Å; F527-W530 WeakPolarHBondContact O-CB 3.39Å; F527-W530 PolarHBondContact O-N 2.71Å; F527-Q531 WeakPolarHBondContact O-CB 3.35Å; F527-Q531 PolarHBondContact O-N 3.05Å
528	F	86.5	Confident	86.4	Confident	17 Å²	17	25.7 Å²	25.7	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-72.3	-38.4	178.8	-77.8	-60.9	0	0	0	114.2	Q321 K515 R524 R525 L526 W530 Q531 R532	Q321-F528 VanDerWaalsContact OE1-CG 3.26Å; K515-F528 HydrophobicContact CD-CE1 4.31Å; K515-F528 HydrophobicContact CD-CE2 3.75Å; K515-F528 HydrophobicContact CD-CZ 3.36Å; K515-F528 VanDerWaalsContact CE-CZ 3.41Å; K515-F528 HydrophobicContact CG-CE2 4Å; K515-F528 HydrophobicContact CG-CZ 3.88Å; R524-F528 WeakPolarHBondContact O-CD2 3.45Å; R524-F528 PolarHBondContact O-N 2.96Å; R524-F528 VanDerWaalsContact O-N 3.17Å; R525-F528 PolarHBondContact O-N 3.47Å; L526-F528 VanDerWaalsContact C-N 3.28Å; L526-F528 PolarHBondContact O-N 3.25Å; F528-W530 VanDerWaalsContact C-N 3.27Å; F528-Q531 PolarHBondContact O-N 3.25Å; F528-R532 PolarHBondContact O-N 3.38Å; F528-R532 PolarHBondContact O-NH1 3.3Å; F528-R532 VanDerWaalsContact O-NH1 3.11Å
529	K	91.4	Very high	86.4	Confident	30 Å²	30	27.6 Å²	27.6	13%	0.13	15%	0.148	C	C	.	.	H	α-helix	trans	-58.8	-45	171.7	-179.7	177	170.2	178.9	0	110	S366 I367 Q368 L369 E373 R525 L526 R532 G533	S366-K529 WeakPolarHBondContact O-CE 3.48Å; S366-K529 PolarHBondContact O-NZ 3.15Å; I367-K529 VanDerWaalsContact C-CE 3.45Å; I367-K529 HydrophobicContact CD1-CG 4.32Å; I367-K529 WeakPolarHBondContact O-CE 3.45Å; I367-K529 WeakPolarHBondContact O-CG 3.38Å; Q368-K529 WeakPolarHBondContact O-CE 3.47Å; Q368-K529 PolarHBondContact O-NZ 3.27Å; L369-K529 HydrophobicContact CD1-CD 4.37Å; L369-K529 HydrophobicContact CD1-CG 3.99Å; L369-K529 HydrophobicContact CG-CD 4.42Å; E373-K529 IonicContact OE2-NZ 2.78Å; R525-K529 WeakPolarHBondContact O-CB 3.38Å; R525-K529 PolarHBondContact O-N 3.34Å; L526-K529 PolarHBondContact O-N 3.32Å; K529-R532 PolarHBondContact O-N 3.46Å; K529-G533 PolarHBondContact O-N 3.36Å
530	W	92.9	Very high	86.4	Confident	1 Å²	1	26 Å²	26	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-50.8	173.9	169.8	80.3	0	0	0	111.4	L369 L377 L493 T496 L497 F505 M511 L526 F527 F528 R532 G533 H534	L369-W530 HydrophobicContact CD1-CB 3.96Å; L369-W530 HydrophobicContact CD2-CB 4.16Å; L377-W530 HydrophobicContact CD2-CB 3.38Å; L377-W530 HydrophobicContact CD2-CD2 4.27Å; L377-W530 HydrophobicContact CD2-CG 3.65Å; L493-W530 HydrophobicContact CD2-CH2 3.57Å; L493-W530 HydrophobicContact CD2-CZ3 3.63Å; T496-W530 HydrophobicContact CG2-CZ2 3.7Å; L497-W530 HydrophobicContact CD2-CD2 4.27Å; L497-W530 HydrophobicContact CD2-CZ2 4.05Å; L497-W530 HydrophobicContact CG-CZ2 4.09Å; F505-W530 HydrophobicContact CD1-CH2 4.02Å; F505-W530 HydrophobicContact CD1-CZ2 4.07Å; F505-W530 AromaticContact CE1-CH2 3.57Å; F505-W530 HydrophobicContact CE1-CH2 3.57Å; F505-W530 AromaticContact CE1-CZ2 3.9Å; F505-W530 HydrophobicContact CE1-CZ2 3.9Å; F505-W530 AromaticContact CE1-CZ3 3.97Å; F505-W530 HydrophobicContact CE1-CZ3 3.97Å; F505-W530 HydrophobicContact CZ-CH2 4.17Å; F505-W530 HydrophobicContact CZ-CZ3 4.31Å; M511-W530 HydrophobicContact SD-CZ3 4.27Å; L526-W530 VanDerWaalsContact O-CB 3.31Å; L526-W530 WeakPolarHBondContact O-CB 3.4Å; L526-W530 PolarHBondContact O-N 3.5Å; F527-W530 HydrophobicContact CD2-CE3 4.25Å; F527-W530 HydrophobicContact CE2-CE3 4.15Å; F527-W530 AromaticContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CE2-CZ3 3.95Å; F527-W530 HydrophobicContact CZ-CZ3 4.15Å; F527-W530 WeakPolarHBondContact O-CB 3.39Å; F527-W530 PolarHBondContact O-N 2.71Å; F528-W530 VanDerWaalsContact C-N 3.27Å; W530-R532 PolarHBondContact O-N 2.99Å; W530-G533 CarbonylContact O-C 3.45Å; W530-G533 PolarHBondContact O-N 2.96Å; W530-G533 VanDerWaalsContact O-N 3.1Å; W530-H534 AromaticContact CD1-CD2 3.86Å; W530-H534 AromaticContact CD1-CE1 3.41Å; W530-H534 VanDerWaalsContact CD1-CE1 3.41Å; W530-H534 AromaticContact CD1-CG 3.58Å; W530-H534 AromaticContact CD1-ND1 3.28Å; W530-H534 VanDerWaalsContact CD1-ND1 3.28Å; W530-H534 AromaticContact CD1-NE2 3.73Å; W530-H534 AromaticContact CG-ND1 3.85Å; W530-H534 AromaticContact NE1-CD2 3.69Å; W530-H534 AromaticContact NE1-CG 3.54Å; W530-H534 AromaticContact NE1-ND1 3.76Å; W530-H534 AromaticContact NE1-NE2 3.97Å; W530-H534 VanDerWaalsContact O-CB 3.31Å; W530-H534 WeakPolarHBondContact O-CB 3.35Å; W530-H534 PolarHBondContact O-N 3.11Å; W530-H534 PolarHBondContact O-ND1 2.83Å
531	Q	90.8	Very high	85.7	Confident	14 Å²	14	30.7 Å²	30.7	7%	0.065	17%	0.172	C	C	.	.	H	α-helix	trans	-53.9	-52.6	177.9	-178.8	-175	6.1	0	0	111.7	F505 L510 F527 F528 G533 H534 Q535	F505-Q531 HydrophobicContact CZ-CG 4.29Å; L510-Q531 PolarHBondContact O-NE2 3.28Å; F527-Q531 WeakPolarHBondContact O-CB 3.35Å; F527-Q531 PolarHBondContact O-N 3.05Å; F528-Q531 PolarHBondContact O-N 3.25Å; Q531-G533 VanDerWaalsContact C-N 3.28Å; Q531-G533 PolarHBondContact O-N 3.34Å; Q531-H534 PolarHBondContact O-N 3.34Å; Q531-Q535 HydrophobicContact CG-CB 4.42Å; Q531-Q535 VanDerWaalsContact CG-OE1 3.28Å; Q531-Q535 WeakPolarHBondContact O-CA 3.5Å; Q531-Q535 WeakPolarHBondContact O-CB 3.31Å; Q531-Q535 PolarHBondContact O-N 3Å
532	R	89.1	Confident	85.1	Confident	42 Å²	42	28.8 Å²	28.8	16%	0.158	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-35.8	178.5	-75.2	-171.8	-58.6	-73.3	-0.1	112.9	I367 F528 K529 W530 D557	I367-R532 HydrophobicContact CD1-CB 3.76Å; F528-R532 PolarHBondContact O-N 3.38Å; F528-R532 PolarHBondContact O-NH1 3.3Å; F528-R532 VanDerWaalsContact O-NH1 3.11Å; K529-R532 PolarHBondContact O-N 3.46Å; W530-R532 PolarHBondContact O-N 2.99Å; R532-D557 IonicContact CZ-OD1 3.2Å; R532-D557 IonicContact CZ-OD2 2.72Å; R532-D557 IonicContact NE-OD1 2.68Å; R532-D557 PolarHBondContact NE-OD1 3.15Å; R532-D557 IonicContact NH2-OD1 3.15Å; R532-D557 PolarHBondContact NH2-OD1 3.41Å; R532-D557 IonicContact NH2-OD2 3.21Å; R532-D557 PolarHBondContact NH2-OD2 2.96Å
533	G	91.9	Very high	84	Confident	11 Å²	11	28 Å²	28	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-78.7	-18.1	179.9	0	0	0	0	0	115.1	I367 K529 W530 Q531 I553	I367-G533 VanDerWaalsContact CG1-CA 3.44Å; K529-G533 PolarHBondContact O-N 3.36Å; W530-G533 CarbonylContact O-C 3.45Å; W530-G533 PolarHBondContact O-N 2.96Å; W530-G533 VanDerWaalsContact O-N 3.1Å; Q531-G533 VanDerWaalsContact C-N 3.28Å; Q531-G533 PolarHBondContact O-N 3.34Å; G533-I553 WeakPolarHBondContact O-CD1 3.31Å
534	H	93.1	Very high	82.6	Confident	8 Å²	8	30.9 Å²	30.9	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-124.4	-14.3	-170.9	-59.4	70.4	0	0	0	113.4	N501 C503 L504 F505 W530 Q531 L536	N501-H534 PolarHBondContact O-NE2 2.83Å; N501-H534 VanDerWaalsContact O-NE2 3.09Å; N501-H534 PolarHBondContact OD1-NE2 2.71Å; C503-H534 PolarHBondContact O-CD2 3.06Å; C503-H534 VanDerWaalsContact O-CD2 3.27Å; L504-H534 CarbonylContact C-O 3.59Å; L504-H534 WeakPolarHBondContact CA-O 3.48Å; L504-H534 HydrophobicContact CD2-CB 4.35Å; F505-H534 HydrophobicContact CD1-CB 4.05Å; F505-H534 WeakPolarHBondContact CD1-O 3.04Å; F505-H534 HydrophobicContact CE1-CB 4.05Å; F505-H534 PolarHBondContact N-O 3.37Å; W530-H534 AromaticContact CD1-CD2 3.86Å; W530-H534 AromaticContact CD1-CE1 3.41Å; W530-H534 VanDerWaalsContact CD1-CE1 3.41Å; W530-H534 AromaticContact CD1-CG 3.58Å; W530-H534 AromaticContact CD1-ND1 3.28Å; W530-H534 VanDerWaalsContact CD1-ND1 3.28Å; W530-H534 AromaticContact CD1-NE2 3.73Å; W530-H534 AromaticContact CG-ND1 3.85Å; W530-H534 AromaticContact NE1-CD2 3.69Å; W530-H534 AromaticContact NE1-CG 3.54Å; W530-H534 AromaticContact NE1-ND1 3.76Å; W530-H534 AromaticContact NE1-NE2 3.97Å; W530-H534 VanDerWaalsContact O-CB 3.31Å; W530-H534 WeakPolarHBondContact O-CB 3.35Å; W530-H534 PolarHBondContact O-N 3.11Å; W530-H534 PolarHBondContact O-ND1 2.83Å; Q531-H534 PolarHBondContact O-N 3.34Å; H534-L536 PolarHBondContact O-N 3.01Å
535	Q	92.4	Very high	81.3	Confident	19 Å²	19	33.9 Å²	33.9	9%	0.089	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	112.1	179.2	-171.7	169.5	9.6	0	0	111.5	F505 S507 D509 Q531 V537	F505-Q535 HydrophobicContact CD2-CG 4.35Å; F505-Q535 HydrophobicContact CE1-CB 3.9Å; F505-Q535 HydrophobicContact CE2-CB 3.86Å; F505-Q535 HydrophobicContact CE2-CG 3.65Å; F505-Q535 HydrophobicContact CZ-CB 3.49Å; F505-Q535 VanDerWaalsContact CZ-CB 3.49Å; F505-Q535 HydrophobicContact CZ-CG 3.82Å; F505-Q535 CarbonylContact O-C 3.52Å; F505-Q535 WeakPolarHBondContact O-CA 3.28Å; S507-Q535 PolarHBondContact O-NE2 3.28Å; D509-Q535 PolarHBondContact O-NE2 2.86Å; Q531-Q535 HydrophobicContact CG-CB 4.42Å; Q531-Q535 VanDerWaalsContact CG-OE1 3.28Å; Q531-Q535 WeakPolarHBondContact O-CA 3.5Å; Q531-Q535 WeakPolarHBondContact O-CB 3.31Å; Q531-Q535 PolarHBondContact O-N 3Å; Q535-V537 HydrophobicContact CG-CG2 4.04Å
536	L	90.8	Very high	80.5	Confident	20 Å²	20	39.1 Å²	39.1	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.5	169.8	-71.7	174.9	0	0	0	110.3	V415 L443 L504 F505 V506 H534 F550 I553	V415-L536 HydrophobicContact CG1-CD1 4.45Å; L443-L536 HydrophobicContact CD2-CD1 4.44Å; L504-L536 HydrophobicContact CB-CD1 3.9Å; L504-L536 HydrophobicContact CB-CG 4.11Å; L504-L536 HydrophobicContact CD1-CD1 3.83Å; L504-L536 HydrophobicContact CD1-CD2 4.1Å; L504-L536 HydrophobicContact CD1-CG 4.03Å; F505-L536 PolarHBondContact O-N 3.23Å; V506-L536 HydrophobicContact CG2-CB 3.9Å; V506-L536 HydrophobicContact CG2-CD1 4.05Å; H534-L536 PolarHBondContact O-N 3.01Å; L536-F550 HydrophobicContact CB-CD1 3.96Å; L536-F550 HydrophobicContact CB-CE1 4.42Å; L536-F550 HydrophobicContact CD2-CB 4.32Å; L536-I553 HydrophobicContact CD2-CD1 3.98Å
537	V	84.9	Confident	79.5	Confident	11 Å²	11	48.2 Å²	48.2	7%	0.067	28%	0.277	C	S	.	.			trans	-110.9	130.8	179.2	-175.9	0	0	0	0	109.9	Q535 F550 L551 Y580	Q535-V537 HydrophobicContact CG-CG2 4.04Å; V537-F550 CarbonylContact O-C 3.5Å; V537-F550 VanDerWaalsContact O-CA 3.31Å; V537-F550 WeakPolarHBondContact O-CA 3.46Å; V537-L551 HydrophobicContact CB-CD1 4.1Å; V537-L551 HydrophobicContact CB-CG 4.48Å; V537-L551 HydrophobicContact CG1-CD1 4.11Å; V537-L551 PolarHBondContact O-N 3.45Å; V537-Y580 HydrophobicContact CG1-CD2 3.46Å; V537-Y580 VanDerWaalsContact CG1-CD2 3.46Å; V537-Y580 HydrophobicContact CG1-CE2 3.96Å; V537-Y580 HydrophobicContact CG1-CG 3.83Å
538	M	83.3	Confident	79.2	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-74.5	132.7	177.6	-77.9	166.8	-93.7	0	0	112.1	V422 I425 V439 V506 V542 V548 F550	V422-M538 HydrophobicContact CB-CE 4.22Å; V422-M538 HydrophobicContact CG1-CE 3.88Å; V422-M538 HydrophobicContact CG2-CE 3.74Å; I425-M538 HydrophobicContact CD1-CB 4.45Å; I425-M538 HydrophobicContact CD1-CE 3.01Å; I425-M538 HydrophobicContact CD1-SD 3.64Å; I425-M538 HydrophobicContact CG1-CE 4.43Å; V439-M538 HydrophobicContact CG1-SD 4.46Å; V439-M538 HydrophobicContact CG2-CE 4.43Å; V439-M538 HydrophobicContact CG2-SD 3.53Å; V439-M538 VanDerWaalsContact CG2-SD 3.53Å; V506-M538 HydrophobicContact CG1-CE 3.66Å; M538-V542 HydrophobicContact SD-CG2 3.91Å; M538-V548 HydrophobicContact CG-CG1 3.8Å; M538-V548 HydrophobicContact SD-CG1 4.2Å; M538-F550 HydrophobicContact CG-CD1 3.97Å; M538-F550 HydrophobicContact CG-CE1 3.68Å; M538-F550 HydrophobicContact CG-CZ 4.47Å
539	A	75.3	Confident	79	Confident	43 Å²	43	55.2 Å²	55.2	36%	0.355	31%	0.308	S	S	.	.			trans	-88.8	121.9	175.3	0	0	0	0	0	111.1	K549 L551	A539-K549 HydrophobicContact CB-CB 4.23Å; A539-K549 PolarHBondContact N-O 3.28Å; A539-L551 HydrophobicContact CB-CD2 3.87Å; A539-L551 HydrophobicContact CB-CG 4.38Å
540	G	70.3	Confident	78.8	Confident	49 Å²	49	55.6 Å²	55.6	51%	0.505	31%	0.31	S	S	.	.	S	Bend	trans	73.6	-163.2	175.4	0	0	0	0	0	115.1
541	N	66.9	Low	78.3	Confident	142 Å²	142	58.2 Å²	58.2	76%	0.759	32%	0.324	S	S	*	.			trans	-87.3	132.3	179.7	-71.4	-19.3	0	0	0	111.2	A543	N541-A543 PolarHBondContact O-N 3.26Å
542	V	65	Low	78	Confident	19 Å²	19	62.9 Å²	62.9	12%	0.115	36%	0.358	C	S	.	.			trans	-81.5	113.9	173.4	-177.7	0	0	0	0	108.5	T435 T438 M538 V548	T435-V542 HydrophobicContact CG2-CB 4.05Å; T435-V542 HydrophobicContact CG2-CG1 4.05Å; T435-V542 HydrophobicContact CG2-CG2 4.46Å; T438-V542 HydrophobicContact CG2-CG1 4.14Å; M538-V542 HydrophobicContact SD-CG2 3.91Å; V542-V548 HydrophobicContact CG1-CG2 4.07Å
543	A	61.8	Low	77.9	Confident	43 Å²	43	63 Å²	63	36%	0.355	36%	0.361	S	S	.	.			trans	-116.2	143.2	174	0	0	0	0	0	110	N541 G545 R546	N541-A543 PolarHBondContact O-N 3.26Å; A543-G545 PolarHBondContact O-N 2.96Å; A543-R546 HydrophobicContact CB-CG 4.46Å; A543-R546 PolarHBondContact O-N 3.43Å; A543-R546 VanDerWaalsContact O-N 3.09Å
544	A	57.4	Low	77.8	Confident	59 Å²	59	64 Å²	64	49%	0.488	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	130.7	177.4	0	0	0	0	0	111.5	E434 R546	E434-A544 WeakPolarHBondContact OE1-CB 3.38Å; A544-R546 VanDerWaalsContact C-N 3.27Å; A544-R546 PolarHBondContact O-N 2.85Å
545	G	57.6	Low	77.6	Confident	86 Å²	86	72.3 Å²	72.3	89%	0.887	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-1.9	179.4	0	0	0	0	0	115.8	A543	A543-G545 PolarHBondContact O-N 2.96Å
546	R	67.6	Low	77.7	Confident	194 Å²	194	72.2 Å²	72.2	73%	0.732	40%	0.396	S	S	*	.	S	Bend	trans	-96.2	144.3	169.3	-67.4	-169	178.1	-172	-1.3	110.6	A543 A544 V548	A543-R546 HydrophobicContact CB-CG 4.46Å; A543-R546 PolarHBondContact O-N 3.43Å; A543-R546 VanDerWaalsContact O-N 3.09Å; A544-R546 VanDerWaalsContact C-N 3.27Å; A544-R546 PolarHBondContact O-N 2.85Å; R546-V548 PolarHBondContact O-N 3.46Å
547	R	70.6	Confident	77.8	Confident	202 Å²	202	71.4 Å²	71.4	76%	0.762	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-63.2	130.7	173.4	-70.8	-167.6	-176.7	-174.6	1.8	110.3
548	V	82.6	Confident	78.2	Confident	13 Å²	13	71.1 Å²	71.1	8%	0.079	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-72.9	131.3	171.7	-177.1	0	0	0	0	107.9	T438 V439 E442 M538 V542 R546 F550	T438-V548 HydrophobicContact CG2-CG2 3.81Å; V439-V548 HydrophobicContact CG2-CG1 4.32Å; V439-V548 HydrophobicContact CG2-CG2 4.19Å; E442-V548 HydrophobicContact CB-CB 4.2Å; E442-V548 HydrophobicContact CB-CG2 4.42Å; E442-V548 HydrophobicContact CG-CB 4.11Å; M538-V548 HydrophobicContact CG-CG1 3.8Å; M538-V548 HydrophobicContact SD-CG1 4.2Å; V542-V548 HydrophobicContact CG1-CG2 4.07Å; R546-V548 PolarHBondContact O-N 3.46Å; V548-F550 HydrophobicContact CG1-CE1 4.45Å; V548-F550 HydrophobicContact CG1-CE2 4.16Å; V548-F550 HydrophobicContact CG1-CZ 4.02Å
549	K	83.3	Confident	78.7	Confident	151 Å²	151	71.6 Å²	71.6	66%	0.657	39%	0.393	S	S	*	.			trans	-108.9	134.4	173.7	-67.1	-174.7	-179.8	-177.1	0	108.9	A539	A539-K549 HydrophobicContact CB-CB 4.23Å; A539-K549 PolarHBondContact N-O 3.28Å
550	F	86.2	Confident	79.7	Confident	38 Å²	38	69.6 Å²	69.6	17%	0.167	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-100.2	146.9	169.5	-60.6	-84	0	0	0	109.2	V439 E442 L443 V506 L536 V537 M538 V548	V439-F550 HydrophobicContact CG1-CZ 4.22Å; E442-F550 HydrophobicContact CG-CE2 4.5Å; L443-F550 HydrophobicContact CD1-CZ 4.38Å; L443-F550 HydrophobicContact CD2-CE2 3.76Å; L443-F550 HydrophobicContact CD2-CZ 3.64Å; L443-F550 HydrophobicContact CG-CE2 4.31Å; L443-F550 HydrophobicContact CG-CZ 3.97Å; V506-F550 HydrophobicContact CG1-CE1 4.11Å; V506-F550 HydrophobicContact CG2-CE1 4.27Å; L536-F550 HydrophobicContact CB-CD1 3.96Å; L536-F550 HydrophobicContact CB-CE1 4.42Å; L536-F550 HydrophobicContact CD2-CB 4.32Å; V537-F550 CarbonylContact O-C 3.5Å; V537-F550 VanDerWaalsContact O-CA 3.31Å; V537-F550 WeakPolarHBondContact O-CA 3.46Å; M538-F550 HydrophobicContact CG-CD1 3.97Å; M538-F550 HydrophobicContact CG-CE1 3.68Å; M538-F550 HydrophobicContact CG-CZ 4.47Å; V548-F550 HydrophobicContact CG1-CE1 4.45Å; V548-F550 HydrophobicContact CG1-CE2 4.16Å; V548-F550 HydrophobicContact CG1-CZ 4.02Å
551	L	83.1	Confident	80.9	Confident	56 Å²	56	67.5 Å²	67.5	29%	0.293	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-62.5	136	168.3	-64.6	-179.7	0	0	0	108.7	V537 A539 I553 Y580 E581	V537-L551 HydrophobicContact CB-CD1 4.1Å; V537-L551 HydrophobicContact CB-CG 4.48Å; V537-L551 HydrophobicContact CG1-CD1 4.11Å; V537-L551 PolarHBondContact O-N 3.45Å; A539-L551 HydrophobicContact CB-CD2 3.87Å; A539-L551 HydrophobicContact CB-CG 4.38Å; L551-I553 PolarHBondContact O-N 2.63Å; L551-Y580 HydrophobicContact CD1-CD2 4.13Å; L551-Y580 HydrophobicContact CD1-CE2 4.35Å; L551-E581 HydrophobicContact CD1-CG 3.83Å
552	S	84.3	Confident	82.2	Confident	112 Å²	112	63 Å²	63	78%	0.783	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-69.5	130	177.2	-177.9	0	0	0	0	109.4	P554	S552-P554 WeakPolarHBondContact O-CD 3.45Å
553	I	88.1	Confident	83.5	Confident	45 Å²	45	66.7 Å²	66.7	23%	0.231	35%	0.354	C	S	.	.			trans	-79.2	115.5	171.3	-59.7	176.1	0	0	0	107.3	L504 G533 L536 L551	L504-I553 HydrophobicContact CD2-CD1 4.24Å; G533-I553 WeakPolarHBondContact O-CD1 3.31Å; L536-I553 HydrophobicContact CD2-CD1 3.98Å; L551-I553 PolarHBondContact O-N 2.63Å
554	P	88.9	Confident	84.7	Confident	32 Å²	32	66.9 Å²	66.9	21%	0.208	36%	0.359	C	S	.	.			trans	-64	154.5	178.6	-17.6	31.1	0	0	0	111.1	I367 S552 F556	I367-P554 WeakPolarHBondContact CG2-O 3.42Å; S552-P554 WeakPolarHBondContact O-CD 3.45Å; P554-F556 HydrophobicContact CB-CD1 3.97Å; P554-F556 HydrophobicContact CB-CD2 4.27Å; P554-F556 HydrophobicContact CB-CE1 3.69Å; P554-F556 HydrophobicContact CB-CE2 3.97Å; P554-F556 HydrophobicContact CB-CG 4.27Å; P554-F556 HydrophobicContact CB-CZ 3.67Å; P554-F556 HydrophobicContact CG-CZ 4.4Å; P554-F556 PolarHBondContact O-N 2.8Å
555	R	90.1	Very high	86.3	Confident	182 Å²	182	67.4 Å²	67.4	69%	0.687	35%	0.354	S	S	*	.	S	Bend	trans	-74	-9.5	175.2	-67.4	-175.6	174.2	-173.7	-1.5	113.7	I367	I367-R555 PolarHBondContact N-O 3.39Å
556	F	93.7	Very high	88.1	Confident	18 Å²	18	64 Å²	64	8%	0.079	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-119.2	153.2	-177.1	55	-88.7	0	0	0	110.3	A351 G355 L364 E365 P554 W586	A351-F556 HydrophobicContact CB-CD1 4.42Å; A351-F556 HydrophobicContact CB-CD2 4.21Å; A351-F556 HydrophobicContact CB-CE1 3.73Å; A351-F556 HydrophobicContact CB-CE2 3.52Å; A351-F556 HydrophobicContact CB-CZ 3.23Å; G355-F556 VanDerWaalsContact CA-CD1 3.49Å; L364-F556 HydrophobicContact CB-CB 3.8Å; L364-F556 HydrophobicContact CB-CG 4.39Å; L364-F556 HydrophobicContact CD1-CB 4.36Å; L364-F556 HydrophobicContact CD1-CD2 3.85Å; L364-F556 HydrophobicContact CD1-CE2 4.34Å; L364-F556 HydrophobicContact CD1-CG 4.04Å; E365-F556 CarbonylContact O-C 3.56Å; E365-F556 VanDerWaalsContact O-CA 3.25Å; E365-F556 WeakPolarHBondContact O-CA 3.39Å; P554-F556 HydrophobicContact CB-CD1 3.97Å; P554-F556 HydrophobicContact CB-CD2 4.27Å; P554-F556 HydrophobicContact CB-CE1 3.69Å; P554-F556 HydrophobicContact CB-CE2 3.97Å; P554-F556 HydrophobicContact CB-CG 4.27Å; P554-F556 HydrophobicContact CB-CZ 3.67Å; P554-F556 HydrophobicContact CG-CZ 4.4Å; P554-F556 PolarHBondContact O-N 2.8Å; F556-W586 HydrophobicContact CD2-CZ2 4.05Å; F556-W586 AromaticContact CE2-CZ2 3.94Å; F556-W586 HydrophobicContact CE2-CZ2 3.94Å
557	D	93.4	Very high	89.5	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	29%	0.285	C	S	.	.			trans	-83.7	116.5	-179.5	-163.3	-0.5	0	0	0	111	E365 I367 R532 I559 Q561	E365-D557 PolarHBondContact O-N 3.2Å; I367-D557 HydrophobicContact CD1-CB 4Å; I367-D557 WeakPolarHBondContact CD1-OD1 3.47Å; R532-D557 IonicContact CZ-OD1 3.2Å; R532-D557 IonicContact CZ-OD2 2.72Å; R532-D557 IonicContact NE-OD1 2.68Å; R532-D557 PolarHBondContact NE-OD1 3.15Å; R532-D557 IonicContact NH2-OD1 3.15Å; R532-D557 PolarHBondContact NH2-OD1 3.41Å; R532-D557 IonicContact NH2-OD2 3.21Å; R532-D557 PolarHBondContact NH2-OD2 2.96Å; D557-I559 VanDerWaalsContact C-N 3.32Å; D557-I559 HydrophobicContact CB-CG1 4.35Å; D557-I559 PolarHBondContact O-N 2.96Å; D557-Q561 PolarHBondContact O-NE2 3.01Å
558	T	93.3	Very high	90.8	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.031	25%	0.25	C	C	.	.			trans	-82.6	79.2	-179.7	-52.9	0	0	0	0	110.4	Y323 P570 V582 P583 W586	Y323-T558 VanDerWaalsContact CE1-O 3.31Å; Y323-T558 WeakPolarHBondContact CE1-O 3.31Å; Y323-T558 PolarHBondContact OH-O 3.01Å; T558-P570 HydrophobicContact CG2-CB 3.67Å; T558-P570 HydrophobicContact CG2-CG 3.93Å; T558-V582 HydrophobicContact CG2-CB 3.83Å; T558-V582 HydrophobicContact CG2-CG2 4.15Å; T558-P583 WeakPolarHBondContact CG2-O 3.46Å; T558-W586 HydrophobicContact CG2-CH2 4.34Å; T558-W586 HydrophobicContact CG2-CZ2 3.73Å
559	I	93.5	Very high	91.5	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.056	25%	0.246	C	C	.	.	S	Bend	trans	-136.3	168.7	175.3	57.7	174.6	0	0	0	109.4	R318 Q321 D557 Q561 P570 W586	R318-I559 HydrophobicContact CG-CD1 4.34Å; R318-I559 VanDerWaalsContact NH1-CD1 3.29Å; Q321-I559 HydrophobicContact CG-CG2 3.9Å; D557-I559 VanDerWaalsContact C-N 3.32Å; D557-I559 HydrophobicContact CB-CG1 4.35Å; D557-I559 PolarHBondContact O-N 2.96Å; I559-Q561 HydrophobicContact CG1-CG 4.03Å; I559-Q561 WeakPolarHBondContact O-CG 3.22Å; I559-Q561 PolarHBondContact O-N 3.17Å; I559-P570 VanDerWaalsContact C-CD 3.49Å; I559-P570 VanDerWaalsContact C-CG 3.47Å; I559-P570 WeakPolarHBondContact O-CD 3.33Å; I559-P570 WeakPolarHBondContact O-CG 3.38Å; I559-W586 WeakPolarHBondContact O-CZ3 3.49Å
560	V	95.7	Very high	92.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	22%	0.215	C	C	.	.			trans	-63.4	124.4	167.3	172.3	0	0	0	0	108.8	L314 M317 R318 W567 H568 L569	L314-V560 HydrophobicContact CB-CG1 4.42Å; M317-V560 HydrophobicContact CB-CG2 4.12Å; R318-V560 HydrophobicContact CB-CB 4Å; R318-V560 HydrophobicContact CB-CG1 4.44Å; R318-V560 VanDerWaalsContact CD-O 3.23Å; R318-V560 WeakPolarHBondContact CD-O 3.24Å; R318-V560 WeakPolarHBondContact CG-O 3.37Å; R318-V560 PolarHBondContact NH1-O 3.1Å; V560-W567 HydrophobicContact CG1-CE3 3.82Å; V560-W567 HydrophobicContact CG1-CZ3 3.73Å; V560-H568 WeakPolarHBondContact CA-O 3.31Å; V560-L569 HydrophobicContact CG1-CG 4.13Å; V560-L569 HydrophobicContact CG2-CB 4.49Å; V560-L569 HydrophobicContact CG2-CG 4.27Å
561	Q	94.9	Very high	92.5	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.023	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.2	-176.7	-52	-179.7	-2.5	0	0	111.8	E365 D557 I559 W567 H568	E365-Q561 HydrophobicContact CG-CB 4.48Å; E365-Q561 HydrophobicContact CG-CG 4.16Å; D557-Q561 PolarHBondContact O-NE2 3.01Å; I559-Q561 HydrophobicContact CG1-CG 4.03Å; I559-Q561 WeakPolarHBondContact O-CG 3.22Å; I559-Q561 PolarHBondContact O-N 3.17Å; Q561-W567 CarbonylContact O-C 3.46Å; Q561-W567 VanDerWaalsContact O-CA 3.31Å; Q561-W567 WeakPolarHBondContact O-CA 3.45Å; Q561-H568 HydrophobicContact CB-CB 4.38Å; Q561-H568 PolarHBondContact N-O 3.22Å; Q561-H568 PolarHBondContact O-N 3.11Å
562	T	94.9	Very high	92.9	Very high	48 Å²	48	35.5 Å²	35.5	29%	0.294	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144	173.5	-176.5	0	0	0	0	112.5	G564 T566 W567	T562-G564 PolarHBondContact OG1-N 3.33Å; T562-T566 WeakPolarHBondContact CA-O 3.48Å; T562-T566 WeakPolarHBondContact CB-O 3.28Å; T562-T566 PolarHBondContact OG1-O 3.49Å; T562-W567 HydrophobicContact CG2-CD2 4.41Å; T562-W567 HydrophobicContact CG2-CE3 4.34Å; T562-W567 HydrophobicContact CG2-CH2 3.86Å; T562-W567 HydrophobicContact CG2-CZ2 3.92Å; T562-W567 HydrophobicContact CG2-CZ3 4.07Å; T562-W567 PolarHBondContact OG1-NE1 3.26Å
563	T	92.3	Very high	92.9	Very high	97 Å²	97	34.4 Å²	34.4	60%	0.595	19%	0.185	S	C	*	.			trans	-107.7	14.2	168.8	65.1	0	0	0	0	112	D565 T566	T563-D565 VanDerWaalsContact C-N 3.28Å; T563-D565 PolarHBondContact O-N 3.27Å; T563-T566 PolarHBondContact N-O 3.33Å; T563-T566 VanDerWaalsContact N-O 3.1Å; T563-T566 PolarHBondContact OG1-N 2.94Å; T563-T566 PolarHBondContact OG1-OG1 2.96Å
564	G	87.8	Confident	91.8	Very high	46 Å²	46	35.9 Å²	35.9	47%	0.474	20%	0.196	S	C	.	.	S	Bend	trans	86	-63.5	-167	0	0	0	0	0	111.5	T562 T566	T562-G564 PolarHBondContact OG1-N 3.33Å; G564-T566 VanDerWaalsContact C-N 3.35Å
565	D	90.4	Very high	90.5	Very high	71 Å²	71	37.5 Å²	37.5	38%	0.38	22%	0.219	S	C	.	.	S	Bend	trans	-85.4	-6.4	-179	-66.2	-42.5	0	0	0	114.1	W344 T563 K591 H593	W344-D565 WeakPolarHBondContact CZ3-O 3.33Å; T563-D565 VanDerWaalsContact C-N 3.28Å; T563-D565 PolarHBondContact O-N 3.27Å; D565-K591 WeakPolarHBondContact O-CB 3.11Å; D565-K591 HydrophobicContact CB-CB 4.33Å; D565-K591 PolarHBondContact O-N 3.44Å; D565-H593 IonicContact OD2-CE1 3.76Å
566	T	94.6	Very high	89.4	Confident	15 Å²	15	34.6 Å²	34.6	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.8	173.1	72.7	0	0	0	0	111.2	T562 T563 G564 L589 T590	T562-T566 WeakPolarHBondContact CA-O 3.48Å; T562-T566 WeakPolarHBondContact CB-O 3.28Å; T562-T566 PolarHBondContact OG1-O 3.49Å; T563-T566 PolarHBondContact N-O 3.33Å; T563-T566 VanDerWaalsContact N-O 3.1Å; T563-T566 PolarHBondContact OG1-N 2.94Å; T563-T566 PolarHBondContact OG1-OG1 2.96Å; G564-T566 VanDerWaalsContact C-N 3.35Å; T566-L589 CarbonylContact C-O 3.53Å; T566-L589 VanDerWaalsContact CA-O 3.23Å; T566-L589 WeakPolarHBondContact CA-O 3.38Å; T566-T590 HydrophobicContact CG2-CG2 3.99Å
567	W	97.3	Very high	88.8	Confident	19 Å²	19	35.3 Å²	35.3	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.7	165.7	-72.2	80.2	0	0	0	110.1	L311 L314 V315 F336 W344 V560 Q561 T562 L569 L589	L311-W567 HydrophobicContact CD2-CZ2 3.91Å; L314-W567 HydrophobicContact CB-CE3 4.22Å; L314-W567 HydrophobicContact CB-CH2 3.82Å; L314-W567 HydrophobicContact CB-CZ3 3.48Å; L314-W567 VanDerWaalsContact CB-CZ3 3.48Å; L314-W567 HydrophobicContact CD1-CD2 4.15Å; L314-W567 HydrophobicContact CD1-CE3 3.86Å; L314-W567 HydrophobicContact CD1-CH2 4.13Å; L314-W567 HydrophobicContact CD1-CZ2 4.4Å; L314-W567 HydrophobicContact CD1-CZ3 3.86Å; L314-W567 HydrophobicContact CG-CZ3 4.33Å; V315-W567 HydrophobicContact CG2-CH2 4.34Å; F336-W567 AromaticContact CE1-CD1 3.85Å; F336-W567 HydrophobicContact CE1-CG 4.47Å; F336-W567 AromaticContact CZ-CD1 3.81Å; F336-W567 HydrophobicContact CZ-CD2 4.38Å; F336-W567 HydrophobicContact CZ-CG 4.05Å; W344-W567 AromaticContact CH2-CD1 3.78Å; V560-W567 HydrophobicContact CG1-CE3 3.82Å; V560-W567 HydrophobicContact CG1-CZ3 3.73Å; Q561-W567 CarbonylContact O-C 3.46Å; Q561-W567 VanDerWaalsContact O-CA 3.31Å; Q561-W567 WeakPolarHBondContact O-CA 3.45Å; T562-W567 HydrophobicContact CG2-CD2 4.41Å; T562-W567 HydrophobicContact CG2-CE3 4.34Å; T562-W567 HydrophobicContact CG2-CH2 3.86Å; T562-W567 HydrophobicContact CG2-CZ2 3.92Å; T562-W567 HydrophobicContact CG2-CZ3 4.07Å; T562-W567 PolarHBondContact OG1-NE1 3.26Å; W567-L569 HydrophobicContact CB-CD1 3.74Å; W567-L589 HydrophobicContact CB-CG 4.47Å; W567-L589 PolarHBondContact O-N 2.83Å; W567-L589 PolarHBondContact N-O 3.47Å; W567-L589 HydrophobicContact CB-CD1 3.91Å; W567-L589 HydrophobicContact CB-CB 4.04Å
568	H	97.9	Very high	87.7	Confident	4 Å²	4	36 Å²	36	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113	174	-61.1	100.3	0	0	0	108.3	C360 L364 V560 Q561 W586 L587	C360-H568 PolarHBondContact SG-NE2 3.4Å; L364-H568 HydrophobicContact CD2-CB 4.01Å; V560-H568 WeakPolarHBondContact CA-O 3.31Å; Q561-H568 HydrophobicContact CB-CB 4.38Å; Q561-H568 PolarHBondContact N-O 3.22Å; Q561-H568 PolarHBondContact O-N 3.11Å; H568-W586 HydrophobicContact CB-CE3 3.76Å; H568-W586 HydrophobicContact CB-CZ3 3.85Å; H568-L587 WeakPolarHBondContact CA-O 3.39Å
569	L	97.6	Very high	86.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.9	-177.3	-66.2	77.9	0	0	0	109.3	L314 I332 V560 W567 W586 L587 L589	L314-L569 HydrophobicContact CD2-CD2 3.79Å; I332-L569 HydrophobicContact CD1-CD2 3.91Å; I332-L569 HydrophobicContact CG2-CD2 3.9Å; V560-L569 HydrophobicContact CG1-CG 4.13Å; V560-L569 HydrophobicContact CG2-CB 4.49Å; V560-L569 HydrophobicContact CG2-CG 4.27Å; W567-L569 HydrophobicContact CB-CD1 3.74Å; L569-W586 CarbonylContact O-C 3.51Å; L569-W586 WeakPolarHBondContact O-CA 3.42Å; L569-L587 PolarHBondContact O-N 3.37Å; L569-L587 PolarHBondContact N-O 3Å; L569-L587 HydrophobicContact CB-CB 4.27Å; L569-L589 HydrophobicContact CD1-CD1 3.71Å
570	P	96.2	Very high	85.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.7	168.1	18.6	-14.6	0	0	0	109.1	Y323 P324 T558 I559 P583 L585 W586	Y323-P570 HydrophobicContact CD1-CB 4.09Å; Y323-P570 HydrophobicContact CD1-CG 3.79Å; Y323-P570 HydrophobicContact CE1-CB 4.38Å; Y323-P570 HydrophobicContact CE1-CG 3.87Å; P324-P570 WeakPolarHBondContact CD-O 3.31Å; T558-P570 HydrophobicContact CG2-CB 3.67Å; T558-P570 HydrophobicContact CG2-CG 3.93Å; I559-P570 VanDerWaalsContact C-CD 3.49Å; I559-P570 VanDerWaalsContact C-CG 3.47Å; I559-P570 WeakPolarHBondContact O-CD 3.33Å; I559-P570 WeakPolarHBondContact O-CG 3.38Å; P570-P583 HydrophobicContact CB-CB 4.03Å; P570-P583 HydrophobicContact CB-CG 4.16Å; P570-L585 WeakPolarHBondContact CA-O 3.23Å; P570-W586 HydrophobicContact CB-CZ3 4.17Å; P570-W586 HydrophobicContact CG-CZ3 3.73Å; P570-W586 HydrophobicContact CG-CZ2 4.21Å; P570-W586 HydrophobicContact CG-CH2 3.83Å; P570-W586 HydrophobicContact CG-CE3 4.05Å; P570-W586 HydrophobicContact CG-CD2 4.47Å; P570-W586 VanDerWaalsContact CD-CZ3 3.48Å; P570-W586 HydrophobicContact CB-CZ2 4.11Å; P570-W586 HydrophobicContact CB-CH2 4.21Å; P570-W586 HydrophobicContact CB-CE3 4.05Å; P570-W586 HydrophobicContact CB-CD2 4Å
571	Y	94.9	Very high	84.6	Confident	12 Å²	12	43.7 Å²	43.7	5%	0.047	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.3	-175.1	75.2	-91.8	0	0	0	112.2	P324 Q326 A329 W348 D573 P583 L585 L587	P324-Y571 VanDerWaalsContact O-CA 3.27Å; P324-Y571 WeakPolarHBondContact O-CA 3.5Å; P324-Y571 VanDerWaalsContact O-CB 3.3Å; P324-Y571 WeakPolarHBondContact O-CB 3.5Å; Q326-Y571 HydrophobicContact CB-CD2 4.47Å; Q326-Y571 PolarHBondContact OE1-OH 3.46Å; A329-Y571 HydrophobicContact CB-CD1 4.47Å; A329-Y571 HydrophobicContact CB-CD2 4.32Å; A329-Y571 HydrophobicContact CB-CG 3.94Å; W348-Y571 HydrophobicContact CE3-CD1 4.28Å; W348-Y571 AromaticContact CE3-CE1 3.45Å; W348-Y571 HydrophobicContact CE3-CE1 3.45Å; W348-Y571 VanDerWaalsContact CE3-CE1 3.45Å; W348-Y571 AromaticContact CE3-CZ 3.7Å; W348-Y571 HydrophobicContact CZ3-CD1 4.02Å; W348-Y571 AromaticContact CZ3-CE1 3.59Å; W348-Y571 HydrophobicContact CZ3-CE1 3.59Å; W348-Y571 HydrophobicContact CZ3-CE2 4.48Å; W348-Y571 AromaticContact CZ3-CZ 3.83Å; Y571-D573 HydrophobicContact CE2-CB 4.11Å; Y571-P583 WeakPolarHBondContact O-CB 3.46Å; Y571-L585 PolarHBondContact N-O 2.88Å; Y571-L585 VanDerWaalsContact N-O 3.07Å; Y571-L585 WeakPolarHBondContact OH-CD1 3.33Å; Y571-L585 HydrophobicContact CD1-CB 4.22Å; Y571-L585 HydrophobicContact CE2-CD1 4.08Å; Y571-L585 VanDerWaalsContact CZ-CB 3.45Å; Y571-L585 HydrophobicContact CE1-CB 3.56Å; Y571-L585 HydrophobicContact CE2-CB 4Å; Y571-L587 HydrophobicContact CD1-CB 4.4Å
572	D	91.4	Very high	84.2	Confident	19 Å²	19	45 Å²	45	10%	0.102	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-90.8	115.9	179.8	-71.8	-38.9	0	0	0	111	P324 Q325 Q326 R577 P583	P324-D572 PolarHBondContact O-N 3.43Å; Q325-D572 CarbonylContact C-O 3.54Å; Q326-D572 PolarHBondContact N-O 2.98Å; D572-R577 IonicContact OD1-CZ 2.61Å; D572-R577 IonicContact OD1-NE 2.71Å; D572-R577 PolarHBondContact OD1-NE 3.29Å; D572-R577 IonicContact OD1-NH2 2.84Å; D572-R577 PolarHBondContact OD1-NH2 3.18Å; D572-R577 IonicContact OD2-CZ 2.61Å; D572-R577 IonicContact OD2-NE 3.4Å; D572-R577 IonicContact OD2-NH2 2.68Å; D572-R577 PolarHBondContact OD2-NH2 3.21Å; D572-P583 WeakPolarHBondContact OD1-CG 3.5Å
573	D	83.3	Confident	83.9	Confident	90 Å²	90	43 Å²	43	48%	0.481	26%	0.255	S	S	.	.	S	Bend	trans	-86.4	-24.2	174.3	63.6	-17.5	0	0	0	113.4	Y571 L585	Y571-D573 HydrophobicContact CE2-CB 4.11Å; D573-L585 HydrophobicContact CB-CD1 3.74Å; D573-L585 VanDerWaalsContact OD2-CD1 3.29Å; D573-L585 WeakPolarHBondContact OD2-CD1 3.47Å
574	T	65.9	Low	83.8	Confident	75 Å²	75	44.5 Å²	44.5	46%	0.46	26%	0.256	S	S	.	.	S	Bend	trans	-122.8	138.2	-177.3	51.7	0	0	0	0	109.9	D576	T574-D576 PolarHBondContact O-N 3.36Å; T574-D576 VanDerWaalsContact O-N 3.17Å
575	G	61.8	Low	84.1	Confident	67 Å²	67	44.5 Å²	44.5	69%	0.691	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-5.7	176.2	0	0	0	0	0	114.1
576	D	66.3	Low	84.4	Confident	121 Å²	121	41.3 Å²	41.3	65%	0.647	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.1	-165.7	-75.6	-42.4	0	0	0	115.4	K85 T574 S578	K85-D576 PolarHBondContact NZ-O 3.01Å; K85-D576 VanDerWaalsContact NZ-O 3.1Å; T574-D576 PolarHBondContact O-N 3.36Å; T574-D576 VanDerWaalsContact O-N 3.17Å; D576-S578 PolarHBondContact O-N 2.72Å
577	R	80.6	Confident	84.6	Confident	32 Å²	32	40.6 Å²	40.6	12%	0.121	22%	0.223	C	C	.	.			trans	-53.6	127.9	-178.7	-174.4	177.6	56.9	80.8	5.6	110.6	D572 E581	D572-R577 IonicContact OD1-CZ 2.61Å; D572-R577 IonicContact OD1-NE 2.71Å; D572-R577 PolarHBondContact OD1-NE 3.29Å; D572-R577 IonicContact OD1-NH2 2.84Å; D572-R577 PolarHBondContact OD1-NH2 3.18Å; D572-R577 IonicContact OD2-CZ 2.61Å; D572-R577 IonicContact OD2-NE 3.4Å; D572-R577 IonicContact OD2-NH2 2.68Å; D572-R577 PolarHBondContact OD2-NH2 3.21Å; R577-E581 HydrophobicContact CG-CB 3.64Å; R577-E581 PolarHBondContact NH1-O 3.27Å
578	S	72.1	Confident	84.6	Confident	19 Å²	19	39.9 Å²	39.9	13%	0.133	22%	0.221	C	C	.	.			trans	-68.8	149.7	176.2	-62.7	0	0	0	0	110.4	D576 Y580 E581	D576-S578 PolarHBondContact O-N 2.72Å; S578-Y580 PolarHBondContact O-N 3.1Å; S578-Y580 PolarHBondContact OG-OH 3.03Å; S578-E581 PolarHBondContact O-N 3.28Å; S578-E581 PolarHBondContact N-OE2 3.49Å; S578-E581 WeakPolarHBondContact CB-OE2 3.44Å
579	T	68.6	Low	84.6	Confident	34 Å²	34	39.7 Å²	39.7	21%	0.209	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.4	-175.9	52.8	0	0	0	0	114.8	K85 R86	K85-T579 HydrophobicContact CB-CG2 4.25Å; R86-T579 HydrophobicContact CB-CG2 4.01Å
580	Y	70.7	Confident	84.4	Confident	75 Å²	75	41.1 Å²	41.1	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-8.9	179.1	51.7	-105.6	0	0	0	113.6	V537 L551 S578	V537-Y580 HydrophobicContact CG1-CD2 3.46Å; V537-Y580 VanDerWaalsContact CG1-CD2 3.46Å; V537-Y580 HydrophobicContact CG1-CE2 3.96Å; V537-Y580 HydrophobicContact CG1-CG 3.83Å; L551-Y580 HydrophobicContact CD1-CD2 4.13Å; L551-Y580 HydrophobicContact CD1-CE2 4.35Å; S578-Y580 PolarHBondContact O-N 3.1Å; S578-Y580 PolarHBondContact OG-OH 3.03Å
581	E	78.4	Confident	84.1	Confident	68 Å²	68	44.3 Å²	44.3	32%	0.318	24%	0.243	S	C	.	.	S	Bend	trans	-86.1	158.2	172.6	-73	162.6	171.6	0	0	109.2	L551 R577 S578	L551-E581 HydrophobicContact CD1-CG 3.83Å; R577-E581 HydrophobicContact CG-CB 3.64Å; R577-E581 PolarHBondContact NH1-O 3.27Å; S578-E581 PolarHBondContact O-N 3.28Å; S578-E581 PolarHBondContact N-OE2 3.49Å; S578-E581 WeakPolarHBondContact CB-OE2 3.44Å
582	V	85.1	Confident	83.4	Confident	34 Å²	34	50 Å²	50	21%	0.206	27%	0.268	C	S	.	.			trans	-112	151	172.8	-62.7	0	0	0	0	110.3	T558 Q584	T558-V582 HydrophobicContact CG2-CB 3.83Å; T558-V582 HydrophobicContact CG2-CG2 4.15Å; V582-Q584 PolarHBondContact O-NE2 2.89Å
583	P	89.6	Confident	81.9	Confident	4 Å²	4	59 Å²	59	3%	0.026	31%	0.309	C	S	.	.			trans	-59	142.5	177.1	-18.5	28.2	0	0	0	112.1	Y323 T558 P570 Y571 D572	Y323-P583 HydrophobicContact CD1-CG 3.81Å; Y323-P583 HydrophobicContact CD2-CG 3.78Å; Y323-P583 HydrophobicContact CE1-CG 4.22Å; Y323-P583 HydrophobicContact CE2-CG 4.19Å; Y323-P583 HydrophobicContact CG-CG 3.56Å; T558-P583 WeakPolarHBondContact CG2-O 3.46Å; P570-P583 HydrophobicContact CB-CB 4.03Å; P570-P583 HydrophobicContact CB-CG 4.16Å; Y571-P583 WeakPolarHBondContact O-CB 3.46Å; D572-P583 WeakPolarHBondContact OD1-CG 3.5Å
584	Q	89.8	Confident	81.8	Confident	130 Å²	130	57.5 Å²	57.5	61%	0.607	30%	0.3	S	S	*	.			trans	-99.3	-19.7	179	-59.4	-56.9	-57.9	0	0	112.7	V582	V582-Q584 PolarHBondContact O-NE2 2.89Å
585	L	94.4	Very high	82.7	Confident	45 Å²	45	56.5 Å²	56.5	24%	0.236	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.1	179.9	-56.6	-174.3	0	0	0	111.1	T350 P570 Y571 D573	T350-L585 HydrophobicContact CG2-CD2 3.88Å; P570-L585 WeakPolarHBondContact CA-O 3.23Å; Y571-L585 PolarHBondContact N-O 2.88Å; Y571-L585 VanDerWaalsContact N-O 3.07Å; Y571-L585 WeakPolarHBondContact OH-CD1 3.33Å; Y571-L585 HydrophobicContact CD1-CB 4.22Å; Y571-L585 HydrophobicContact CE2-CD1 4.08Å; Y571-L585 VanDerWaalsContact CZ-CB 3.45Å; Y571-L585 HydrophobicContact CE1-CB 3.56Å; Y571-L585 HydrophobicContact CE2-CB 4Å; D573-L585 HydrophobicContact CB-CD1 3.74Å; D573-L585 VanDerWaalsContact OD2-CD1 3.29Å; D573-L585 WeakPolarHBondContact OD2-CD1 3.47Å
586	W	96.9	Very high	83.9	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.019	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.1	-173.7	-67.8	75.1	0	0	0	110.7	S349 L364 F556 T558 I559 H568 L569 P570	S349-W586 PolarHBondContact N-O 2.88Å; S349-W586 PolarHBondContact O-N 2.92Å; S349-W586 VanDerWaalsContact O-O 3.11Å; L364-W586 HydrophobicContact CD1-CH2 4.37Å; L364-W586 HydrophobicContact CD1-CZ2 4.24Å; L364-W586 HydrophobicContact CD2-CZ3 4.47Å; F556-W586 HydrophobicContact CD2-CZ2 4.05Å; F556-W586 AromaticContact CE2-CZ2 3.94Å; F556-W586 HydrophobicContact CE2-CZ2 3.94Å; T558-W586 HydrophobicContact CG2-CH2 4.34Å; T558-W586 HydrophobicContact CG2-CZ2 3.73Å; I559-W586 WeakPolarHBondContact O-CZ3 3.49Å; H568-W586 HydrophobicContact CB-CE3 3.76Å; H568-W586 HydrophobicContact CB-CZ3 3.85Å; L569-W586 CarbonylContact O-C 3.51Å; L569-W586 WeakPolarHBondContact O-CA 3.42Å; P570-W586 HydrophobicContact CB-CZ3 4.17Å; P570-W586 HydrophobicContact CG-CZ3 3.73Å; P570-W586 HydrophobicContact CG-CZ2 4.21Å; P570-W586 HydrophobicContact CG-CH2 3.83Å; P570-W586 HydrophobicContact CG-CE3 4.05Å; P570-W586 HydrophobicContact CG-CD2 4.47Å; P570-W586 VanDerWaalsContact CD-CZ3 3.48Å; P570-W586 HydrophobicContact CB-CZ2 4.11Å; P570-W586 HydrophobicContact CB-CH2 4.21Å; P570-W586 HydrophobicContact CB-CE3 4.05Å; P570-W586 HydrophobicContact CB-CD2 4Å
587	L	98	Very high	84.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.7	163.1	173.5	64	0	0	0	107.8	A329 I332 K333 A346 W348 H568 L569 Y571 L589	A329-L587 WeakPolarHBondContact O-CD2 3.07Å; I332-L587 HydrophobicContact CG2-CD2 4.29Å; K333-L587 HydrophobicContact CB-CD1 3.98Å; K333-L587 HydrophobicContact CB-CD2 3.95Å; K333-L587 HydrophobicContact CD-CD1 4.18Å; K333-L587 HydrophobicContact CG-CD1 4.31Å; A346-L587 HydrophobicContact CB-CD1 4.39Å; W348-L587 HydrophobicContact CD2-CD1 4.46Å; W348-L587 HydrophobicContact CE3-CB 4.22Å; W348-L587 HydrophobicContact CE3-CD1 4Å; W348-L587 HydrophobicContact CH2-CD1 4.16Å; W348-L587 HydrophobicContact CZ3-CB 3.94Å; W348-L587 HydrophobicContact CZ3-CD1 3.87Å; W348-L587 HydrophobicContact CZ3-CG 4.33Å; H568-L587 WeakPolarHBondContact CA-O 3.39Å; L569-L587 PolarHBondContact O-N 3.37Å; L569-L587 PolarHBondContact N-O 3Å; L569-L587 HydrophobicContact CB-CB 4.27Å; Y571-L587 HydrophobicContact CD1-CB 4.4Å; L587-L589 HydrophobicContact CD1-CD2 4.19Å; L587-L589 HydrophobicContact CD2-CD1 4.28Å; L587-L589 HydrophobicContact CD2-CD2 4.25Å; L587-L589 HydrophobicContact CD2-CG 4.32Å; L587-L589 HydrophobicContact CG-CD1 4.48Å; L587-L589 HydrophobicContact CG-CD2 4.13Å; L587-L589 HydrophobicContact CG-CG 4.07Å
588	C	97.7	Very high	85.2	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124	174.4	179.5	0	0	0	0	109.1	A346 A347 C357 C359 C360	A346-C588 CarbonylContact C-O 3.5Å; A346-C588 WeakPolarHBondContact CA-O 3.32Å; A347-C588 PolarHBondContact N-O 2.7Å; A347-C588 PolarHBondContact O-N 2.73Å; C357-C588 VanDerWaalsContact SG-SG 3.63Å; C359-C588 HydrophobicContact CB-CB 4.06Å; C360-C588 VanDerWaalsContact SG-SG 3.63Å
589	L	96.7	Very high	86	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.5	176.3	-57.8	164.7	0	0	0	107.6	I332 F336 W344 T345 A346 T566 W567 L569 L587	I332-L589 HydrophobicContact CG2-CD1 4.44Å; F336-L589 HydrophobicContact CB-CD1 4.41Å; F336-L589 HydrophobicContact CB-CD2 3.94Å; F336-L589 HydrophobicContact CD1-CD1 4.15Å; F336-L589 HydrophobicContact CD2-CD1 3.28Å; F336-L589 HydrophobicContact CD2-CD2 4.28Å; F336-L589 HydrophobicContact CD2-CG 4.36Å; F336-L589 HydrophobicContact CE1-CD1 4.19Å; F336-L589 HydrophobicContact CE2-CD1 3.31Å; F336-L589 HydrophobicContact CG-CD1 3.7Å; F336-L589 HydrophobicContact CG-CD2 4.13Å; F336-L589 HydrophobicContact CG-CG 4.41Å; F336-L589 HydrophobicContact CZ-CD1 3.8Å; W344-L589 HydrophobicContact CE3-CB 4.18Å; W344-L589 HydrophobicContact CZ3-CB 4.29Å; T345-L589 CarbonylContact O-C 3.6Å; T345-L589 WeakPolarHBondContact O-CA 3.19Å; A346-L589 HydrophobicContact CB-CD2 3.39Å; T566-L589 CarbonylContact C-O 3.53Å; T566-L589 VanDerWaalsContact CA-O 3.23Å; T566-L589 WeakPolarHBondContact CA-O 3.38Å; W567-L589 HydrophobicContact CB-CG 4.47Å; W567-L589 PolarHBondContact O-N 2.83Å; W567-L589 PolarHBondContact N-O 3.47Å; W567-L589 HydrophobicContact CB-CD1 3.91Å; W567-L589 HydrophobicContact CB-CB 4.04Å; L569-L589 HydrophobicContact CD1-CD1 3.71Å; L587-L589 HydrophobicContact CD1-CD2 4.19Å; L587-L589 HydrophobicContact CD2-CD1 4.28Å; L587-L589 HydrophobicContact CD2-CD2 4.25Å; L587-L589 HydrophobicContact CD2-CG 4.32Å; L587-L589 HydrophobicContact CG-CD1 4.48Å; L587-L589 HydrophobicContact CG-CD2 4.13Å; L587-L589 HydrophobicContact CG-CG 4.07Å
590	T	94.6	Very high	87.3	Confident	31 Å²	31	57.2 Å²	57.2	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.9	-178.6	56.9	0	0	0	0	110.6	W344 T345 C360 T566	W344-T590 CarbonylContact C-O 3.56Å; W344-T590 WeakPolarHBondContact CA-O 3.4Å; W344-T590 VanDerWaalsContact CE3-C 3.4Å; T345-T590 PolarHBondContact N-O 3.46Å; T345-T590 PolarHBondContact O-N 2.89Å; T345-T590 PolarHBondContact OG1-O 3.29Å; T345-T590 PolarHBondContact OG1-OG1 3.16Å; C360-T590 HydrophobicContact CB-CG2 3.66Å; T566-T590 HydrophobicContact CG2-CG2 3.99Å
591	K	89.8	Confident	88.5	Confident	66 Å²	66	55.8 Å²	55.8	29%	0.287	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.2	174.7	-157	174.3	179.9	165.4	0	109	Q342 W344 D565	Q342-K591 VanDerWaalsContact O-CE 3.31Å; Q342-K591 WeakPolarHBondContact O-CE 3.49Å; Q342-K591 WeakPolarHBondContact O-CG 3.48Å; W344-K591 HydrophobicContact CD2-CB 4.18Å; W344-K591 HydrophobicContact CD2-CG 4.31Å; W344-K591 HydrophobicContact CE3-CB 4.06Å; W344-K591 HydrophobicContact CH2-CB 4.03Å; W344-K591 HydrophobicContact CZ2-CB 4.16Å; W344-K591 HydrophobicContact CZ2-CD 4.04Å; W344-K591 HydrophobicContact CZ2-CG 4.32Å; W344-K591 HydrophobicContact CZ3-CB 3.99Å; D565-K591 WeakPolarHBondContact O-CB 3.11Å; D565-K591 HydrophobicContact CB-CB 4.33Å; D565-K591 PolarHBondContact O-N 3.44Å
592	K	78.9	Confident	89.4	Confident	132 Å²	132	54.8 Å²	54.8	57%	0.574	26%	0.261	S	S	*	.			trans	-78.7	123.9	172.1	-73.8	-175.9	173.9	176.4	0	109.2	K343 T345	K343-K592 HydrophobicContact CB-CB 4.29Å; K343-K592 PolarHBondContact O-N 3.25Å; T345-K592 HydrophobicContact CG2-CD 3.79Å; T345-K592 HydrophobicContact CG2-CG 4.09Å
593	H	61.2	Low	89.8	Confident	208 Å²	208	56.7 Å²	56.7	96%	0.963	27%	0.266	S	S	*	.			trans	-66.6	0	170.1	-65.6	-61.9	0	0	0	111.4	D565	D565-H593 IonicContact OD2-CE1 3.76Å

Retrieved 593 of 593 residues in 992.2 ms (Link to these results)

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