A0A087Y2W3_POEFO Loading...

Voltage-dependent L-type calcium channel subunit beta-3

Regulatory subunit of the voltage-gated calcium channel that gives rise to L-type calcium currents. Increases CACNA1B peak calcium current and shifts the voltage dependencies of channel activation and inactivation. Increases CACNA1C peak calcium current and shifts the voltage dependencies of channel activation and inactivation.

AlphaFold DB , UniProt , Accession A0A087Y2W3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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	41.2	Very low	37.8	Very low	237 Å²	237	152.5 Å²	152.5	100%	1.167	83%	0.828	S	S	*	*				0	77.6	0	-68.2	156.3	124.5	0	0	106.8
2	V	33.7	Very low	37.3	Very low	134 Å²	134	151.8 Å²	151.8	81%	0.812	82%	0.823	S	S	*	*				82.2	104.1	93.2	173.3	0	0	0	0	111.6	V4	V2-V4 HydrophobicContact CG1-CG2 4.24Å
3	Q	38.1	Very low	38.9	Very low	190 Å²	190	148.1 Å²	148.1	89%	0.888	81%	0.811	S	S	*	*			trans	-74.5	151.2	160.6	-61.4	173	-64.3	0	0	109.8
4	V	37.2	Very low	38.4	Very low	140 Å²	140	149.6 Å²	149.6	85%	0.848	82%	0.817	S	S	*	*			trans	-134.4	154.9	152.7	-177.2	0	0	0	0	109.2	V2	V2-V4 HydrophobicContact CG1-CG2 4.24Å
5	K	37.7	Very low	38	Very low	169 Å²	169	146.6 Å²	146.6	74%	0.735	81%	0.811	S	S	*	*			trans	-139.2	153.2	-157.4	-151.6	-167.3	-168.7	-178.9	0	108.9
6	M	34.5	Very low	37.6	Very low	159 Å²	159	143.3 Å²	143.3	78%	0.783	81%	0.808	S	S	*	*			trans	67	146.3	164.1	-54.5	-57.5	-177.1	0	0	116.3
7	S	33.8	Very low	37.3	Very low	124 Å²	124	143 Å²	143	87%	0.867	81%	0.81	S	S	*	*				-160.8	-170.3	56.5	55.5	0	0	0	0	113.6
8	K	37.2	Very low	37	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	81%	0.81	S	S	*	*			trans	-153.5	124.4	-152.3	-177.1	-169.8	-175	-173.7	0	113.5
9	S	35.6	Very low	36.8	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	81%	0.813	S	S	*	*			trans	60.5	175.4	162.5	66.3	0	0	0	0	117.1
10	P	52	Low	36.3	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	81%	0.808	S	S	*	*			cis	-143.8	166.7	6	43.9	-24.5	0	0	0	119.6
11	V	34.8	Very low	36	Very low	120 Å²	120	139 Å²	139	73%	0.727	80%	0.804	S	S	*	*			trans	58.4	114.9	132.5	175.3	0	0	0	0	124
12	D	31.8	Very low	35.6	Very low	143 Å²	143	136.5 Å²	136.5	77%	0.765	79%	0.79	S	S	*	*				47.1	176.7	126.7	-57.8	-19	0	0	0	124.2
13	P	58.2	Low	35.4	Very low	104 Å²	104	134.3 Å²	134.3	68%	0.675	78%	0.781	S	S	*	*			cis	-139.5	-168.2	-37.8	32.1	-9.9	0	0	0	116
14	L	32.5	Very low	35	Very low	169 Å²	169	133.6 Å²	133.6	89%	0.885	78%	0.777	S	S	*	*			trans	76.2	152.6	161.4	-55.4	172.6	0	0	0	117.2
15	S	32.4	Very low	34.6	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	77%	0.772	S	S	*	*			cis	-152.7	139.6	9.6	49.4	0	0	0	0	109.6
16	A	31.4	Very low	34.1	Very low	93 Å²	93	138 Å²	138	77%	0.769	78%	0.781	S	S	*	*				77.7	154.4	81.1	0	0	0	0	0	117.5
17	V	32.6	Very low	33.7	Very low	139 Å²	139	137.4 Å²	137.4	84%	0.842	78%	0.776	S	S	*	*			trans	94.2	122.8	-177.5	-174.9	0	0	0	0	114.7
18	E	31.1	Very low	33.4	Very low	172 Å²	172	140.1 Å²	140.1	80%	0.804	78%	0.775	S	S	*	*			cis	138.5	128.4	-11.7	-176.4	175.3	-123.9	0	0	109.7
19	T	32.9	Very low	33.1	Very low	141 Å²	141	136.5 Å²	136.5	87%	0.865	77%	0.774	S	S	*	*			trans	154	125	164.6	31	0	0	0	0	106
20	G	27.9	Very low	32.8	Very low	69 Å²	69	136.2 Å²	136.2	71%	0.711	78%	0.778	S	S	*	*			cis	104.6	119.6	37.3	0	0	0	0	0	107.6
21	S	29.6	Very low	31.8	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	79%	0.787	S	S	*	*			cis	-165.1	154	18.9	-69.1	0	0	0	0	113
22	Q	32.3	Very low	31.4	Very low	186 Å²	186	134.1 Å²	134.1	87%	0.869	79%	0.79	S	S	*	*			trans	55.8	154.9	142.4	-68.3	176.3	0.6	0	0	120.6
23	S	30.1	Very low	31.3	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	80%	0.801	S	S	*	*			cis	-162.2	154.6	-13	44.7	0	0	0	0	106.4
24	H	29.7	Very low	30	Very low	175 Å²	175	136.8 Å²	136.8	81%	0.81	81%	0.809	S	S	*	*				-169.6	146.1	72.2	-113.1	-87.1	0	0	0	111.7
25	Y	28.2	Very low	29.8	Very low	192 Å²	192	137.5 Å²	137.5	75%	0.753	81%	0.808	S	S	*	*			trans	-93.3	153.6	170	-102.9	-107.7	0	0	0	111.5
26	F	27.5	Very low	29.5	Very low	209 Å²	209	141.7 Å²	141.7	92%	0.917	82%	0.818	S	S	*	*			trans	-145.2	142.8	137.5	-117.1	-81.4	0	0	0	110.3
27	Q	25.6	Very low	29.4	Very low	146 Å²	146	145.7 Å²	145.7	68%	0.682	82%	0.818	S	S	*	*			trans	-138.8	174.7	-170.9	179.2	169.9	-23.7	0	0	108.5
28	E	27.7	Very low	29.3	Very low	181 Å²	181	146.5 Å²	146.5	85%	0.846	81%	0.812	S	S	*	*			trans	87.5	143.5	177.2	-60.6	-165.3	137.3	0	0	116.2
29	S	30.1	Very low	29.1	Very low	114 Å²	114	144 Å²	144	80%	0.797	81%	0.809	S	S	*	*			cis	-156.5	166.4	-12	48.5	0	0	0	0	110.8
30	A	30.3	Very low	28.8	Very low	101 Å²	101	143.1 Å²	143.1	84%	0.835	81%	0.809	S	S	*	*			trans	-127.4	124.4	169.3	0	0	0	0	0	110.1
31	A	30.5	Very low	28.8	Very low	107 Å²	107	149 Å²	149	88%	0.884	82%	0.818	S	S	*	*			trans	-166.1	138.4	161.9	0	0	0	0	0	113.2
32	G	26.1	Very low	28.8	Very low	77 Å²	77	151.7 Å²	151.7	79%	0.794	82%	0.823	S	S	*	*			trans	91.5	99.2	138.5	0	0	0	0	0	119.4
33	M	29.9	Very low	29.4	Very low	201 Å²	201	147.9 Å²	147.9	99%	0.99	81%	0.814	S	S	*	*			trans	-139.9	113.3	140.9	-112.9	-171.6	179.9	0	0	110.7
34	A	31.2	Very low	29.5	Very low	103 Å²	103	154.7 Å²	154.7	85%	0.851	83%	0.827	S	S	*	*			trans	-106.3	166.7	178	0	0	0	0	0	111.4
35	Q	28	Very low	29.6	Very low	183 Å²	183	155.8 Å²	155.8	86%	0.855	83%	0.829	S	S	*	*			trans	-72.5	154.4	-175	-57.1	177.7	-3.7	0	0	113.6
36	M	27.4	Very low	29.8	Very low	194 Å²	194	153.4 Å²	153.4	96%	0.956	83%	0.828	S	S	*	*			trans	-151.7	155.1	143.4	-118.4	-176.8	-177.1	0	0	112.6
37	K	29.4	Very low	30.5	Very low	177 Å²	177	149.5 Å²	149.5	77%	0.77	82%	0.824	S	S	*	*			trans	-130.1	163.9	176.8	-69.5	-177.8	176.2	178.4	0	110.5
38	H	29.5	Very low	30.9	Very low	155 Å²	155	151.7 Å²	151.7	72%	0.718	83%	0.831	S	S	*	*			trans	86.9	111.6	155.7	-77.8	-76.5	0	0	0	121.7
39	T	27.5	Very low	31.3	Very low	119 Å²	119	155 Å²	155	73%	0.73	84%	0.836	S	S	*	*			trans	62.4	125.6	130.5	57.4	0	0	0	0	123.1
40	S	27.1	Very low	31.5	Very low	124 Å²	124	159.9 Å²	159.9	87%	0.867	84%	0.843	S	S	*	*				-175.2	-178.3	120.5	43.9	0	0	0	0	111.7
41	Q	27.9	Very low	31.7	Very low	192 Å²	192	160.6 Å²	160.6	90%	0.897	84%	0.842	S	S	*	*			trans	-111.2	168.5	-155.5	-62.9	172.3	-8.5	0	0	115.7
42	L	28	Very low	32	Very low	162 Å²	162	166.9 Å²	166.9	85%	0.848	84%	0.843	S	S	*	*			trans	-40.1	-177.3	165.7	-76.7	166.9	0	0	0	117.9
43	P	46.8	Very low	32.4	Very low	105 Å²	105	171.6 Å²	171.6	68%	0.682	84%	0.842	S	S	*	*			cis	-138.3	177.4	-13	26.7	-3.6	0	0	0	116.3
44	R	31.1	Very low	32.9	Very low	232 Å²	232	171.7 Å²	171.7	88%	0.875	84%	0.837	S	S	*	*			trans	175.3	116.4	134.8	-94.5	157.3	-165.2	-154.8	5.7	111.2
45	K	31.7	Very low	32.9	Very low	197 Å²	197	177 Å²	177	86%	0.857	84%	0.835	S	S	*	*				80.2	97	91.5	-78.2	-167.9	177.2	-176.4	0	117.4
46	L	32.7	Very low	33.5	Very low	142 Å²	142	173.8 Å²	173.8	74%	0.743	83%	0.832	S	S	*	*				32.7	146.8	122.8	-80.7	172.4	0	0	0	121.1	K48	L46-K48 HydrophobicContact CD2-CG 4.17Å
47	P	42	Very low	33.9	Very low	128 Å²	128	172 Å²	172	83%	0.831	83%	0.827	S	S	*	*				-146.1	163.2	58.1	39.4	-19.8	0	0	0	120.1
48	K	34.4	Very low	34.1	Very low	191 Å²	191	167.1 Å²	167.1	83%	0.83	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-85.6	146.1	169.2	-61.9	174.3	175.6	-179.2	0	110.8	L46	L46-K48 HydrophobicContact CD2-CG 4.17Å
49	R	34.9	Very low	34.3	Very low	252 Å²	252	165.3 Å²	165.3	95%	0.951	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-101.8	135.7	165	-81.7	176	67.2	153.2	-4	111.5
50	K	34.9	Very low	34.8	Very low	215 Å²	215	166.3 Å²	166.3	94%	0.935	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-101.4	147.2	167.4	-78	179.1	172	178.8	0	109.7
51	S	34.8	Very low	35.1	Very low	117 Å²	117	165.1 Å²	165.1	82%	0.818	83%	0.829	S	S	*	*			trans	-161.7	90.1	161.3	-177.3	0	0	0	0	107.1
52	R	37.3	Very low	35.6	Very low	239 Å²	239	161.7 Å²	161.7	90%	0.902	83%	0.827	S	S	*	*				62.3	112.5	82.4	-169.9	172.3	-111.6	-178.8	-2.6	113.4
53	F	33.7	Very low	35.9	Very low	175 Å²	175	161 Å²	161	77%	0.768	82%	0.824	S	S	*	*			trans	-40.2	143.7	170.1	-98.1	-111.9	0	0	0	115.4
54	K	39.8	Very low	35.5	Very low	204 Å²	204	162.8 Å²	162.8	89%	0.887	83%	0.833	S	S	*	*			trans	-135	139.8	133.6	-92.3	-164.5	171.5	-171.7	0	109.3
55	R	32.8	Very low	35.8	Very low	214 Å²	214	157.8 Å²	157.8	81%	0.808	83%	0.828	S	S	*	*			trans	-85.9	151.9	163.1	-66.6	177.2	174.2	179.2	-4.2	108.6
56	S	38.9	Very low	36.1	Very low	115 Å²	115	153.8 Å²	153.8	80%	0.804	83%	0.825	S	S	*	*			trans	-152.6	119.8	159.2	49.4	0	0	0	0	108.3
57	D	36.9	Very low	36.1	Very low	157 Å²	157	151.1 Å²	151.1	84%	0.84	82%	0.818	S	S	*	*			trans	-74.2	159.9	179.8	-45.3	-79.7	0	0	0	110.9
58	G	33.6	Very low	35.8	Very low	74 Å²	74	154.4 Å²	154.4	76%	0.763	82%	0.82	S	S	*	*			trans	178.9	58.5	-175.2	0	0	0	0	0	114.5
59	S	33.6	Very low	36.2	Very low	118 Å²	118	153 Å²	153	83%	0.825	82%	0.82	S	S	*	*			trans	-65.1	135.4	172.2	-51.2	0	0	0	0	111.5
60	T	38.3	Very low	36.6	Very low	139 Å²	139	151.1 Å²	151.1	85%	0.853	82%	0.818	S	S	*	*			trans	-129.1	105.1	157.5	33.6	0	0	0	0	109.5
61	S	32.6	Very low	36.7	Very low	99 Å²	99	151.5 Å²	151.5	69%	0.692	81%	0.814	S	S	*	*			trans	-74.4	146.5	170.3	-46.2	0	0	0	0	110.2
62	S	39.5	Very low	36.9	Very low	121 Å²	121	154.4 Å²	154.4	85%	0.846	82%	0.815	S	S	*	*			trans	-140.2	87.6	162.6	-71.6	0	0	0	0	108.6
63	D	32.9	Very low	37	Very low	148 Å²	148	147 Å²	147	79%	0.791	81%	0.813	S	S	*	*			trans	-78.8	137.1	169.7	-64.6	-62	0	0	0	110
64	T	39.6	Very low	37.2	Very low	142 Å²	142	143.4 Å²	143.4	87%	0.871	81%	0.809	S	S	*	*			trans	-137.5	137.1	155.2	-31.7	0	0	0	0	110
65	T	37.6	Very low	37.6	Very low	126 Å²	126	138.4 Å²	138.4	77%	0.773	81%	0.806	S	S	*	*			trans	-96.6	142.1	-158.4	51.2	0	0	0	0	114.5
66	S	36.3	Very low	38	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	80%	0.802	S	S	*	*			trans	161.5	144.2	135.9	55.2	0	0	0	0	110
67	S	34.2	Very low	38.4	Very low	87 Å²	87	134.6 Å²	134.6	61%	0.608	80%	0.801	S	S	*	*			cis	170.2	126.3	-21	50.4	0	0	0	0	105.6
68	F	35	Very low	38.7	Very low	197 Å²	197	137.2 Å²	137.2	86%	0.864	80%	0.801	S	S	*	*			trans	56.5	116.9	166.2	-48.4	-71.4	0	0	0	120.1
69	I	42.6	Very low	39.4	Very low	160 Å²	160	139.5 Å²	139.5	82%	0.821	80%	0.8	S	S	*	*				-177.9	132.2	105.7	-76.2	-129.7	0	0	0	107.3
70	K	43.9	Very low	40.4	Very low	213 Å²	213	138 Å²	138	93%	0.926	79%	0.79	S	S	*	*			trans	-117.8	108.9	166.9	-105.4	-174.7	177.8	178.3	0	108.9
71	R	36.9	Very low	41.3	Very low	223 Å²	223	141.5 Å²	141.5	84%	0.842	79%	0.787	S	S	*	*			trans	-158.1	133.7	157.5	-107.8	179.2	-155.4	-155.2	5	111.7
72	Q	38.8	Very low	42.2	Very low	179 Å²	179	140.8 Å²	140.8	84%	0.836	78%	0.78	S	S	*	*			trans	41.9	109.5	150.2	-114.4	87.7	16.6	0	0	120.2
73	G	39.7	Very low	42.8	Very low	83 Å²	83	138 Å²	138	86%	0.856	76%	0.761	S	S	*	*				71.6	112.5	124.2	0	0	0	0	0	120.2
74	S	37.3	Very low	43.9	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	75%	0.754	S	S	*	*			trans	-151.5	153.4	132.3	-174.4	0	0	0	0	109.3	D76	S74-D76 VanDerWaalsContact CB-OD2 3.24Å; S74-D76 WeakPolarHBondContact CB-OD2 3.3Å; S74-D76 PolarHBondContact OG-OD2 2.62Å
75	A	49.3	Very low	44.6	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	74%	0.74	S	S	*	*			trans	-96.5	112.2	166.5	0	0	0	0	0	107.4
76	D	41.8	Very low	45.5	Very low	138 Å²	138	132.6 Å²	132.6	74%	0.738	73%	0.728	S	S	*	*			trans	-125.3	127.9	178.2	-73.6	-67.3	0	0	0	110.4	S74 Y78	S74-D76 VanDerWaalsContact CB-OD2 3.24Å; S74-D76 WeakPolarHBondContact CB-OD2 3.3Å; S74-D76 PolarHBondContact OG-OD2 2.62Å; D76-Y78 PolarHBondContact O-N 2.87Å
77	S	45.7	Very low	46.5	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	71%	0.714	S	S	*	*			trans	-63.5	126.3	-173.6	-55.8	0	0	0	0	111.5	T79	S77-T79 PolarHBondContact O-N 3.23Å
78	Y	43	Very low	47.9	Very low	212 Å²	212	130.5 Å²	130.5	83%	0.831	71%	0.706	S	S	*	*			trans	-73.2	77	174.3	-158.5	-92.7	0	0	0	110.4	D76 S80	D76-Y78 PolarHBondContact O-N 2.87Å; Y78-S80 WeakPolarHBondContact CD1-OG 3.45Å; Y78-S80 VanDerWaalsContact CE1-OG 3.24Å; Y78-S80 WeakPolarHBondContact CE1-OG 3.43Å; Y78-S80 PolarHBondContact O-N 2.93Å
79	T	50.1	Low	49.4	Very low	122 Å²	122	123.2 Å²	123.2	75%	0.748	68%	0.682	S	S	*	*			trans	-76	99.9	162.6	74.1	0	0	0	0	106.5	S77 R81	S77-T79 PolarHBondContact O-N 3.23Å; T79-R81 PolarHBondContact O-N 3.28Å
80	S	54.1	Low	50.7	Low	88 Å²	88	120.6 Å²	120.6	62%	0.615	67%	0.666	S	S	*	*			trans	-60.8	98.7	175.1	-55.4	0	0	0	0	108.9	Y78 P82	Y78-S80 WeakPolarHBondContact CD1-OG 3.45Å; Y78-S80 VanDerWaalsContact CE1-OG 3.24Å; Y78-S80 WeakPolarHBondContact CE1-OG 3.43Å; Y78-S80 PolarHBondContact O-N 2.93Å; S80-P82 WeakPolarHBondContact O-CD 3.49Å
81	R	55.7	Low	52.1	Low	212 Å²	212	116.6 Å²	116.6	80%	0.8	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-61.1	119.7	167.3	-171.9	175.8	179.2	-171.1	-2.7	106.7	T79 S83	T79-R81 PolarHBondContact O-N 3.28Å; R81-S83 PolarHBondContact O-N 3.29Å
82	P	53	Low	54.2	Low	83 Å²	83	111.1 Å²	111.1	54%	0.539	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-58.6	136.2	177.8	-20.3	31.7	0	0	0	109.1	S80 D84 L87	S80-P82 WeakPolarHBondContact O-CD 3.49Å; P82-D84 PolarHBondContact O-N 3.01Å; P82-L87 HydrophobicContact CB-CD2 4.25Å; P82-L87 HydrophobicContact CB-CG 4.44Å
83	S	51.2	Low	56.4	Low	63 Å²	63	110.1 Å²	110.1	44%	0.441	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-67	131.1	174.4	-42.9	0	0	0	0	108.5	R81 S85 D86	R81-S83 PolarHBondContact O-N 3.29Å; S83-S85 WeakPolarHBondContact CB-OG 3.45Å; S83-S85 PolarHBondContact O-N 3Å; S83-D86 WeakPolarHBondContact CB-OD2 3.27Å; S83-D86 PolarHBondContact O-N 3.17Å; S83-D86 PolarHBondContact OG-OD2 3.36Å
84	D	55.6	Low	58.6	Low	122 Å²	122	110.4 Å²	110.4	65%	0.652	61%	0.606	S	S	*	*	H	α-helix	trans	-57.3	-23.6	-179.3	-63.3	-49.5	0	0	0	112.6	P82 S88	P82-D84 PolarHBondContact O-N 3.01Å; D84-S88 PolarHBondContact O-N 3.1Å
85	S	55.3	Low	61	Low	81 Å²	81	107.8 Å²	107.8	57%	0.566	59%	0.59	S	S	*	*	H	α-helix	trans	-68	-32.1	173.2	53.9	0	0	0	0	114.8	S83 A89	S83-S85 WeakPolarHBondContact CB-OG 3.45Å; S83-S85 PolarHBondContact O-N 3Å; S85-A89 PolarHBondContact O-N 3.17Å
86	D	56.7	Low	62.9	Low	100 Å²	100	111.8 Å²	111.8	54%	0.535	59%	0.586	S	S	.	*	H	α-helix	trans	-77.1	-30.4	179.7	-62.3	-37.5	0	0	0	110.7	S83 E90	S83-D86 WeakPolarHBondContact CB-OD2 3.27Å; S83-D86 PolarHBondContact O-N 3.17Å; S83-D86 PolarHBondContact OG-OD2 3.36Å; D86-E90 PolarHBondContact O-N 3.25Å
87	L	56	Low	65.2	Low	93 Å²	93	113.1 Å²	113.1	49%	0.487	58%	0.58	S	S	.	*	H	α-helix	trans	-67.5	-46.5	175.1	-59.8	179.7	0	0	0	111.3	P82 A89 E90 E91	P82-L87 HydrophobicContact CB-CD2 4.25Å; P82-L87 HydrophobicContact CB-CG 4.44Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 3Å; L87-E90 PolarHBondContact O-N 2.89Å; L87-E91 WeakPolarHBondContact O-CB 3.33Å; L87-E91 PolarHBondContact O-N 2.93Å
88	S	63.7	Low	67.3	Low	62 Å²	62	113.9 Å²	113.9	43%	0.434	57%	0.566	S	S	.	*	H	α-helix	trans	-59.8	-37.8	177.9	179.4	0	0	0	0	113.1	D84 E91 D92	D84-S88 PolarHBondContact O-N 3.1Å; S88-E91 PolarHBondContact O-N 2.85Å; S88-D92 PolarHBondContact O-N 2.93Å
89	A	68	Low	69.8	Low	45 Å²	45	107.2 Å²	107.2	37%	0.372	54%	0.542	S	S	.	.	H	α-helix	trans	-74.5	-28.8	-178.8	0	0	0	0	0	113.4	S85 L87 R93	S85-A89 PolarHBondContact O-N 3.17Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 3Å; A89-R93 WeakPolarHBondContact O-CD 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.29Å; A89-R93 WeakPolarHBondContact O-CG 3.44Å
90	E	68.8	Low	71.9	Confident	104 Å²	104	103.1 Å²	103.1	49%	0.486	52%	0.521	S	S	.	.	H	α-helix	trans	-78.3	-37	169.8	-72.2	-59.3	126.9	0	0	111.6	D86 L87 D92 R93 E94	D86-E90 PolarHBondContact O-N 3.25Å; L87-E90 PolarHBondContact O-N 2.89Å; E90-D92 PolarHBondContact O-N 3.26Å; E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 3.28Å; E90-R93 VanDerWaalsContact O-N 3.16Å; E90-R93 IonicContact OE1-CZ 3.51Å; E90-R93 IonicContact OE1-NE 3.51Å; E90-R93 IonicContact OE1-NH1 2.62Å; E90-R93 PolarHBondContact OE1-NH1 3.31Å; E90-E94 PolarHBondContact O-N 2.73Å
91	E	73.1	Confident	73.9	Confident	130 Å²	130	101.7 Å²	101.7	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-60.7	-43.2	174.7	-172.4	169.1	-166.1	0	0	111.8	L87 S88 R93 E94 A95	L87-E91 WeakPolarHBondContact O-CB 3.33Å; L87-E91 PolarHBondContact O-N 2.93Å; S88-E91 PolarHBondContact O-N 2.85Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.44Å; E91-E94 PolarHBondContact O-N 3.39Å; E91-A95 VanDerWaalsContact O-CB 3.29Å; E91-A95 WeakPolarHBondContact O-CB 3.15Å; E91-A95 PolarHBondContact O-N 2.78Å
92	D	81.8	Confident	75.9	Confident	108 Å²	108	96.5 Å²	96.5	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-60	-39.2	173.2	-80.6	-25.3	0	0	0	112.6	S88 E90 Y96	S88-D92 PolarHBondContact O-N 2.93Å; E90-D92 PolarHBondContact O-N 3.26Å; D92-Y96 WeakPolarHBondContact O-CB 3.35Å; D92-Y96 PolarHBondContact O-N 3.41Å
93	R	84.6	Confident	78	Confident	158 Å²	158	97.5 Å²	97.5	60%	0.596	48%	0.483	S	S	*	.	H	α-helix	trans	-69.1	-39.6	177.4	-72.4	168.7	-178.9	-179.5	2	111.8	A89 E90 E91 R97	A89-R93 WeakPolarHBondContact O-CD 3.43Å; A89-R93 VanDerWaalsContact O-CG 3.29Å; A89-R93 WeakPolarHBondContact O-CG 3.44Å; E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 3.28Å; E90-R93 VanDerWaalsContact O-N 3.16Å; E90-R93 IonicContact OE1-CZ 3.51Å; E90-R93 IonicContact OE1-NE 3.51Å; E90-R93 IonicContact OE1-NH1 2.62Å; E90-R93 PolarHBondContact OE1-NH1 3.31Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.44Å; R93-R97 PolarHBondContact O-N 2.73Å; R93-R97 VanDerWaalsContact O-N 3.12Å
94	E	84.8	Confident	80.2	Confident	89 Å²	89	94.5 Å²	94.5	42%	0.416	46%	0.462	S	S	.	.	H	α-helix	trans	-72.9	-38.2	178	-150.9	-167.9	146.9	0	0	111.4	E90 E91 Y96 R97 R98	E90-E94 PolarHBondContact O-N 2.73Å; E91-E94 PolarHBondContact O-N 3.39Å; E94-Y96 PolarHBondContact O-N 3.43Å; E94-R97 WeakPolarHBondContact O-CB 3.4Å; E94-R97 PolarHBondContact O-N 3.3Å; E94-R97 VanDerWaalsContact O-N 3.16Å; E94-R98 WeakPolarHBondContact O-CG 3.32Å; E94-R98 PolarHBondContact O-N 2.94Å; E94-R98 IonicContact OE1-CZ 3.73Å; E94-R98 IonicContact OE1-NE 3.54Å; E94-R98 PolarHBondContact OE1-NE 2.76Å; E94-R98 IonicContact OE1-NH2 3.49Å; E94-R98 PolarHBondContact OE1-NH2 2.95Å; E94-R98 IonicContact OE2-NH2 2.72Å; E94-R98 PolarHBondContact OE2-NH2 3.49Å; E94-R98 VanDerWaalsContact OE2-NH2 3.17Å
95	A	87.9	Confident	82.2	Confident	44 Å²	44	91.9 Å²	91.9	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-58.4	-46.6	171.7	0	0	0	0	0	111.5	E91 R97 R98 E99	E91-A95 VanDerWaalsContact O-CB 3.29Å; E91-A95 WeakPolarHBondContact O-CB 3.15Å; E91-A95 PolarHBondContact O-N 2.78Å; A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.39Å; A95-R98 PolarHBondContact O-N 2.89Å; A95-E99 WeakPolarHBondContact O-CB 3.31Å; A95-E99 PolarHBondContact O-N 3.4Å
96	Y	90.3	Very high	84.2	Confident	183 Å²	183	91.9 Å²	91.9	72%	0.718	44%	0.437	S	S	*	.	H	α-helix	trans	-59.4	-39.6	174.1	-177	-95.6	0	0	0	112.5	D92 E94 A100	D92-Y96 WeakPolarHBondContact O-CB 3.35Å; D92-Y96 PolarHBondContact O-N 3.41Å; E94-Y96 PolarHBondContact O-N 3.43Å; Y96-A100 WeakPolarHBondContact O-CB 3.33Å; Y96-A100 PolarHBondContact O-N 2.88Å
97	R	89.2	Confident	86.2	Confident	165 Å²	165	89.7 Å²	89.7	62%	0.623	42%	0.423	S	S	*	.	H	α-helix	trans	-64.9	-49.3	177.3	-167.4	-170.8	-54.9	164.8	7.6	112	R93 E94 A95 E99 A100 E101	R93-R97 PolarHBondContact O-N 2.73Å; R93-R97 VanDerWaalsContact O-N 3.12Å; E94-R97 WeakPolarHBondContact O-CB 3.4Å; E94-R97 PolarHBondContact O-N 3.3Å; E94-R97 VanDerWaalsContact O-N 3.16Å; A95-R97 VanDerWaalsContact C-N 3.3Å; A95-R97 PolarHBondContact O-N 3.39Å; R97-E99 VanDerWaalsContact C-N 3.29Å; R97-E99 PolarHBondContact O-N 3.37Å; R97-A100 PolarHBondContact O-N 3.45Å; R97-E101 PolarHBondContact O-N 3.39Å
98	R	91.2	Very high	88.1	Confident	127 Å²	127	85.5 Å²	85.5	48%	0.479	40%	0.401	S	S	.	.	H	α-helix	trans	-62.1	-37.6	178	-65.5	-173.8	-148.2	112.7	-6.7	111.7	E94 A95 E101 R102	E94-R98 WeakPolarHBondContact O-CG 3.32Å; E94-R98 PolarHBondContact O-N 2.94Å; E94-R98 IonicContact OE1-CZ 3.73Å; E94-R98 IonicContact OE1-NE 3.54Å; E94-R98 PolarHBondContact OE1-NE 2.76Å; E94-R98 IonicContact OE1-NH2 3.49Å; E94-R98 PolarHBondContact OE1-NH2 2.95Å; E94-R98 IonicContact OE2-NH2 2.72Å; E94-R98 PolarHBondContact OE2-NH2 3.49Å; E94-R98 VanDerWaalsContact OE2-NH2 3.17Å; A95-R98 PolarHBondContact O-N 2.89Å; R98-E101 PolarHBondContact O-N 3.11Å; R98-R102 VanDerWaalsContact O-CB 3.3Å; R98-R102 WeakPolarHBondContact O-CB 3.31Å; R98-R102 PolarHBondContact O-N 2.85Å
99	E	94.6	Very high	89.6	Confident	72 Å²	72	85.9 Å²	85.9	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-67.2	-40.8	176	174.7	54.5	-158.8	0	0	112	A95 R97 R102 Q103	A95-E99 WeakPolarHBondContact O-CB 3.31Å; A95-E99 PolarHBondContact O-N 3.4Å; R97-E99 VanDerWaalsContact C-N 3.29Å; R97-E99 PolarHBondContact O-N 3.37Å; E99-R102 VanDerWaalsContact CD-NH2 3.28Å; E99-R102 PolarHBondContact O-N 2.98Å; E99-R102 IonicContact OE1-CZ 2.82Å; E99-R102 IonicContact OE1-NE 2.74Å; E99-R102 IonicContact OE1-NH2 3.01Å; E99-R102 PolarHBondContact OE1-NH2 2.96Å; E99-R102 IonicContact OE2-CZ 2.76Å; E99-R102 IonicContact OE2-NE 3.53Å; E99-R102 PolarHBondContact OE2-NE 3.37Å; E99-R102 IonicContact OE2-NH2 3.38Å; E99-R102 PolarHBondContact OE2-NH2 3.12Å; E99-R102 VanDerWaalsContact OE2-NH2 3.13Å; E99-Q103 VanDerWaalsContact O-CG 3.31Å; E99-Q103 WeakPolarHBondContact O-CG 3.42Å; E99-Q103 PolarHBondContact O-N 3.2Å; E99-Q103 PolarHBondContact OE1-NE2 3.27Å
100	A	94.3	Very high	90.9	Very high	37 Å²	37	91.4 Å²	91.4	31%	0.306	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-42.6	173.7	0	0	0	0	0	112.4	Y96 R97 Q103 A104	Y96-A100 WeakPolarHBondContact O-CB 3.33Å; Y96-A100 PolarHBondContact O-N 2.88Å; R97-A100 PolarHBondContact O-N 3.45Å; A100-Q103 PolarHBondContact O-N 3.18Å; A100-A104 WeakPolarHBondContact O-CB 3.32Å; A100-A104 PolarHBondContact O-N 3.3Å
101	E	95.9	Very high	92.3	Very high	57 Å²	57	86.5 Å²	86.5	27%	0.266	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-43.9	174.1	178.8	164.6	-144	0	0	111.6	R97 R98 Q103 A104 Q105 V136 Q137	R97-E101 PolarHBondContact O-N 3.39Å; R98-E101 PolarHBondContact O-N 3.11Å; E101-Q103 VanDerWaalsContact C-N 3.31Å; E101-Q103 PolarHBondContact O-N 3.17Å; E101-A104 WeakPolarHBondContact O-CB 3.24Å; E101-A104 PolarHBondContact O-N 3.25Å; E101-A104 VanDerWaalsContact O-N 3.14Å; E101-Q105 PolarHBondContact O-N 2.78Å; E101-V136 HydrophobicContact CG-CB 4.3Å; E101-V136 HydrophobicContact CG-CG1 4.21Å; E101-V136 HydrophobicContact CG-CG2 4.08Å; E101-V136 WeakPolarHBondContact OE1-CA 3.43Å; E101-Q137 PolarHBondContact OE1-N 3.35Å
102	R	97.1	Very high	93.3	Very high	104 Å²	104	83.3 Å²	83.3	39%	0.392	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-39.4	174.9	-168.3	-163.8	64.8	66.4	-0.9	112.2	R98 E99 Q106	R98-R102 VanDerWaalsContact O-CB 3.3Å; R98-R102 WeakPolarHBondContact O-CB 3.31Å; R98-R102 PolarHBondContact O-N 2.85Å; E99-R102 VanDerWaalsContact CD-NH2 3.28Å; E99-R102 PolarHBondContact O-N 2.98Å; E99-R102 IonicContact OE1-CZ 2.82Å; E99-R102 IonicContact OE1-NE 2.74Å; E99-R102 IonicContact OE1-NH2 3.01Å; E99-R102 PolarHBondContact OE1-NH2 2.96Å; E99-R102 IonicContact OE2-CZ 2.76Å; E99-R102 IonicContact OE2-NE 3.53Å; E99-R102 PolarHBondContact OE2-NE 3.37Å; E99-R102 IonicContact OE2-NH2 3.38Å; E99-R102 PolarHBondContact OE2-NH2 3.12Å; E99-R102 VanDerWaalsContact OE2-NH2 3.13Å; R102-Q106 WeakPolarHBondContact O-CG 3.48Å; R102-Q106 PolarHBondContact O-N 3.34Å; R102-Q106 VanDerWaalsContact O-N 3.1Å
103	Q	97.3	Very high	93.8	Very high	104 Å²	104	82.5 Å²	82.5	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-40.9	174.5	-71.3	175.8	22.6	0	0	111.9	E99 A100 E101 Q106 Q107	E99-Q103 VanDerWaalsContact O-CG 3.31Å; E99-Q103 WeakPolarHBondContact O-CG 3.42Å; E99-Q103 PolarHBondContact O-N 3.2Å; E99-Q103 PolarHBondContact OE1-NE2 3.27Å; A100-Q103 PolarHBondContact O-N 3.18Å; E101-Q103 VanDerWaalsContact C-N 3.31Å; E101-Q103 PolarHBondContact O-N 3.17Å; Q103-Q106 PolarHBondContact O-N 3.31Å; Q103-Q107 PolarHBondContact O-N 3.14Å; Q103-Q107 VanDerWaalsContact O-N 3.1Å
104	A	97.8	Very high	94.3	Very high	0 Å²	0	78 Å²	78	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-44.4	176.2	0	0	0	0	0	111.9	A100 E101 Q107 L108 P135 V136 Y155 F173	A100-A104 WeakPolarHBondContact O-CB 3.32Å; A100-A104 PolarHBondContact O-N 3.3Å; E101-A104 WeakPolarHBondContact O-CB 3.24Å; E101-A104 PolarHBondContact O-N 3.25Å; E101-A104 VanDerWaalsContact O-N 3.14Å; A104-Q107 WeakPolarHBondContact O-CB 3.48Å; A104-Q107 PolarHBondContact O-N 2.9Å; A104-Q107 VanDerWaalsContact O-N 3.09Å; A104-L108 PolarHBondContact O-N 3Å; A104-L108 VanDerWaalsContact O-N 3.09Å; A104-P135 HydrophobicContact CB-CB 3.9Å; A104-V136 HydrophobicContact CB-CG2 3.67Å; A104-Y155 HydrophobicContact CB-CE2 4.14Å; A104-Y155 WeakPolarHBondContact CB-OH 3.47Å; A104-F173 HydrophobicContact CB-CZ 4.02Å
105	Q	97.7	Very high	94.8	Very high	67 Å²	67	78.8 Å²	78.8	31%	0.313	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-46.4	174.3	-179.4	55.6	48.8	0	0	111.7	E101 Q107 L108 D109 V136	E101-Q105 PolarHBondContact O-N 2.78Å; Q105-Q107 PolarHBondContact O-N 2.82Å; Q105-Q107 VanDerWaalsContact O-N 3.17Å; Q105-L108 WeakPolarHBondContact O-CB 3.47Å; Q105-L108 PolarHBondContact O-N 3.15Å; Q105-L108 VanDerWaalsContact O-N 3.07Å; Q105-D109 PolarHBondContact NE2-OD1 3.29Å; Q105-D109 PolarHBondContact NE2-OD2 2.94Å; Q105-D109 PolarHBondContact O-N 3.45Å; Q105-V136 HydrophobicContact CB-CG2 4.03Å
106	Q	97.6	Very high	95.3	Very high	80 Å²	80	77.5 Å²	77.5	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-26.6	175.3	-76.4	-173	-17.9	0	0	113.2	R102 Q103 R110	R102-Q106 WeakPolarHBondContact O-CG 3.48Å; R102-Q106 PolarHBondContact O-N 3.34Å; R102-Q106 VanDerWaalsContact O-N 3.1Å; Q103-Q106 PolarHBondContact O-N 3.31Å; Q106-R110 WeakPolarHBondContact O-CB 3.17Å; Q106-R110 WeakPolarHBondContact O-CD 3.36Å; Q106-R110 WeakPolarHBondContact O-CG 3.42Å; Q106-R110 PolarHBondContact O-N 3.23Å
107	Q	97.7	Very high	95.7	Very high	55 Å²	55	72 Å²	72	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-76.6	-38	173.8	-166.1	173.3	-17.4	0	0	112.6	Q103 A104 Q105 R110 A111 E153 Y155 I161	Q103-Q107 PolarHBondContact O-N 3.14Å; Q103-Q107 VanDerWaalsContact O-N 3.1Å; A104-Q107 WeakPolarHBondContact O-CB 3.48Å; A104-Q107 PolarHBondContact O-N 2.9Å; A104-Q107 VanDerWaalsContact O-N 3.09Å; Q105-Q107 PolarHBondContact O-N 2.82Å; Q105-Q107 VanDerWaalsContact O-N 3.17Å; Q107-R110 PolarHBondContact O-N 3.48Å; Q107-A111 WeakPolarHBondContact O-CB 3.23Å; Q107-A111 PolarHBondContact O-N 3.48Å; Q107-E153 WeakPolarHBondContact CG-OE1 3.45Å; Q107-E153 PolarHBondContact NE2-OE1 3.13Å; Q107-Y155 VanDerWaalsContact OE1-CD2 3.29Å; Q107-I161 HydrophobicContact CB-CD1 4.27Å; Q107-I161 HydrophobicContact CG-CD1 3.72Å
108	L	96.4	Very high	96.1	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-56.4	-49.7	170.8	-69.7	178	0	0	0	111.1	A104 Q105 R110 A111 K112 A139 I161 I171 F173	A104-L108 PolarHBondContact O-N 3Å; A104-L108 VanDerWaalsContact O-N 3.09Å; Q105-L108 WeakPolarHBondContact O-CB 3.47Å; Q105-L108 PolarHBondContact O-N 3.15Å; Q105-L108 VanDerWaalsContact O-N 3.07Å; L108-R110 PolarHBondContact O-N 2.72Å; L108-A111 WeakPolarHBondContact O-CA 3.49Å; L108-A111 WeakPolarHBondContact O-CB 3.36Å; L108-A111 PolarHBondContact O-N 3.42Å; L108-K112 PolarHBondContact O-N 3.3Å; L108-A139 HydrophobicContact CD1-CB 3.93Å; L108-I161 HydrophobicContact CD2-CB 4.48Å; L108-I161 HydrophobicContact CD2-CD1 4.27Å; L108-I161 HydrophobicContact CD2-CG1 3.96Å; L108-I161 HydrophobicContact CD2-CG2 3.82Å; L108-I171 HydrophobicContact CB-CG2 4.46Å; L108-I171 HydrophobicContact CD2-CG2 4.01Å; L108-F173 HydrophobicContact CD1-CD2 3.96Å; L108-F173 HydrophobicContact CD1-CE2 3.48Å; L108-F173 VanDerWaalsContact CD1-CE2 3.48Å; L108-F173 HydrophobicContact CD1-CZ 4.09Å; L108-F173 HydrophobicContact CD2-CD1 4.22Å; L108-F173 HydrophobicContact CD2-CD2 3.99Å; L108-F173 HydrophobicContact CD2-CE1 4.01Å; L108-F173 HydrophobicContact CD2-CE2 3.76Å; L108-F173 HydrophobicContact CD2-CG 4.2Å; L108-F173 HydrophobicContact CD2-CZ 3.76Å; L108-F173 HydrophobicContact CG-CD2 4.28Å; L108-F173 HydrophobicContact CG-CE1 4.43Å; L108-F173 HydrophobicContact CG-CE2 3.64Å; L108-F173 HydrophobicContact CG-CZ 3.71Å
109	D	95.5	Very high	96.5	Very high	71 Å²	71	61.5 Å²	61.5	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-39.8	-178.1	-68.1	-47.6	0	0	0	112.1	Q105 A111 K112	Q105-D109 PolarHBondContact NE2-OD1 3.29Å; Q105-D109 PolarHBondContact NE2-OD2 2.94Å; Q105-D109 PolarHBondContact O-N 3.45Å; D109-A111 PolarHBondContact O-N 3.4Å; D109-K112 WeakPolarHBondContact O-CB 3.41Å; D109-K112 PolarHBondContact O-N 3.47Å; D109-K112 WeakPolarHBondContact OD1-CE 3.13Å; D109-K112 IonicContact OD1-NZ 3.33Å; D109-K112 PolarHBondContact OD1-NZ 3.22Å
110	R	96.3	Very high	96.7	Very high	161 Å²	161	58.1 Å²	58.1	61%	0.608	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-21.3	171.6	-71.7	171.4	-165.1	-179.5	8.5	113.6	Q106 Q107 L108 S113 K114	Q106-R110 WeakPolarHBondContact O-CB 3.17Å; Q106-R110 WeakPolarHBondContact O-CD 3.36Å; Q106-R110 WeakPolarHBondContact O-CG 3.42Å; Q106-R110 PolarHBondContact O-N 3.23Å; Q107-R110 PolarHBondContact O-N 3.48Å; L108-R110 PolarHBondContact O-N 2.72Å; R110-S113 PolarHBondContact O-OG 2.86Å; R110-K114 WeakPolarHBondContact O-CE 3.22Å
111	A	96.5	Very high	96.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-84.3	-13.6	179.2	0	0	0	0	0	113.6	Q107 L108 D109 S113 K114 K152 I161 I171	Q107-A111 WeakPolarHBondContact O-CB 3.23Å; Q107-A111 PolarHBondContact O-N 3.48Å; L108-A111 WeakPolarHBondContact O-CA 3.49Å; L108-A111 WeakPolarHBondContact O-CB 3.36Å; L108-A111 PolarHBondContact O-N 3.42Å; D109-A111 PolarHBondContact O-N 3.4Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 2.8Å; A111-K114 HydrophobicContact CB-CD 4.31Å; A111-K114 PolarHBondContact O-N 3.1Å; A111-K152 HydrophobicContact CB-CB 4.43Å; A111-I161 HydrophobicContact CB-CB 4.47Å; A111-I161 HydrophobicContact CB-CG2 3.46Å; A111-I161 VanDerWaalsContact CB-CG2 3.46Å; A111-I171 HydrophobicContact CB-CG2 4.26Å
112	K	94.3	Very high	97	Very high	63 Å²	63	55.9 Å²	55.9	27%	0.274	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-44.7	175	-66.6	176.6	177.3	-178.9	0	111.9	L108 D109 D170 I171	L108-K112 PolarHBondContact O-N 3.3Å; D109-K112 WeakPolarHBondContact O-CB 3.41Å; D109-K112 PolarHBondContact O-N 3.47Å; D109-K112 WeakPolarHBondContact OD1-CE 3.13Å; D109-K112 IonicContact OD1-NZ 3.33Å; D109-K112 PolarHBondContact OD1-NZ 3.22Å; K112-D170 WeakPolarHBondContact CE-OD1 3.17Å; K112-D170 WeakPolarHBondContact CE-OD2 3.46Å; K112-D170 IonicContact NZ-OD1 2.69Å; K112-D170 IonicContact NZ-OD2 3.17Å; K112-D170 PolarHBondContact NZ-OD2 2.82Å; K112-I171 HydrophobicContact CB-CG1 4.4Å; K112-I171 HydrophobicContact CG-CB 4.1Å; K112-I171 HydrophobicContact CG-CG1 3.72Å
113	S	93.1	Very high	97	Very high	91 Å²	91	53 Å²	53	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.6	178.9	58.9	0	0	0	0	115.1	R110 A111	R110-S113 PolarHBondContact O-OG 2.86Å; A111-S113 VanDerWaalsContact C-N 3.33Å; A111-S113 PolarHBondContact O-N 2.8Å
114	K	95.6	Very high	96.9	Very high	63 Å²	63	50.6 Å²	50.6	27%	0.274	27%	0.266	S	S	.	.	S	Bend	trans	-70.5	149.3	178.8	-68.5	179	-171.3	174.5	0	111	R110 A111 K152 E153	R110-K114 WeakPolarHBondContact O-CE 3.22Å; A111-K114 HydrophobicContact CB-CD 4.31Å; A111-K114 PolarHBondContact O-N 3.1Å; K114-K152 WeakPolarHBondContact O-CD 3.28Å; K114-K152 WeakPolarHBondContact O-CE 3.3Å; K114-K152 PolarHBondContact O-NZ 2.77Å; K114-E153 IonicContact NZ-OE1 2.71Å; K114-E153 PolarHBondContact NZ-OE1 3.03Å; K114-E153 IonicContact NZ-OE2 2.64Å; K114-E153 PolarHBondContact NZ-OE2 3.03Å
115	P	95.8	Very high	96.8	Very high	107 Å²	107	53.9 Å²	53.9	70%	0.695	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-65.2	163.1	171.3	29.1	-35.4	0	0	0	111.3	A117 K152	P115-A117 PolarHBondContact O-N 2.74Å; P115-K152 VanDerWaalsContact O-CD 3.27Å; P115-K152 WeakPolarHBondContact O-CD 3.35Å
116	V	97.9	Very high	96.8	Very high	17 Å²	17	51.3 Å²	51.3	10%	0.103	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.1	121.6	169.6	178.7	0	0	0	0	108.2	F118 H150 K152 L362	V116-F118 WeakPolarHBondContact CG1-O 3.06Å; V116-H150 HydrophobicContact CG1-CB 3.95Å; V116-H150 HydrophobicContact CG2-CB 3.96Å; V116-K152 HydrophobicContact CG2-CD 4.35Å; V116-L362 HydrophobicContact CG2-CD1 4Å; V116-L362 HydrophobicContact CG2-CD2 4.42Å
117	A	97.8	Very high	96.6	Very high	66 Å²	66	50 Å²	50	55%	0.545	28%	0.275	S	S	.	.			trans	-76.5	-43.3	178.7	0	0	0	0	0	111.6	P115 I151 K152	P115-A117 PolarHBondContact O-N 2.74Å; A117-I151 PolarHBondContact N-O 2.61Å; A117-K152 WeakPolarHBondContact CB-O 3.49Å
118	F	98.4	Very high	96.4	Very high	69 Å²	69	47.8 Å²	47.8	30%	0.303	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	166.3	173.3	60.9	-83.3	0	0	0	110.2	V116 V120 I151 W160	V116-F118 WeakPolarHBondContact CG1-O 3.06Å; F118-V120 HydrophobicContact CD2-CG1 3.92Å; F118-V120 HydrophobicContact CE2-CG1 3.76Å; F118-I151 HydrophobicContact CD1-CB 4.24Å; F118-I151 HydrophobicContact CD1-CG2 4.49Å; F118-I151 HydrophobicContact CD2-CB 4.26Å; F118-I151 HydrophobicContact CD2-CG1 4.01Å; F118-I151 HydrophobicContact CE1-CB 3.93Å; F118-I151 HydrophobicContact CE1-CG1 4.41Å; F118-I151 HydrophobicContact CE1-CG2 3.78Å; F118-I151 HydrophobicContact CE2-CB 3.97Å; F118-I151 HydrophobicContact CE2-CG1 3.54Å; F118-I151 HydrophobicContact CE2-CG2 4.38Å; F118-I151 HydrophobicContact CG-CB 4.39Å; F118-I151 HydrophobicContact CZ-CB 3.79Å; F118-I151 HydrophobicContact CZ-CG1 3.76Å; F118-I151 HydrophobicContact CZ-CG2 3.72Å; F118-I151 PolarHBondContact N-O 2.84Å; F118-I151 PolarHBondContact O-N 3.47Å; F118-W160 HydrophobicContact CE2-CH2 4.34Å; F118-W160 HydrophobicContact CE2-CZ3 4.15Å; F118-W160 HydrophobicContact CZ-CE3 4.39Å; F118-W160 HydrophobicContact CZ-CH2 4.18Å; F118-W160 HydrophobicContact CZ-CZ3 4.13Å
119	A	98.7	Very high	96	Very high	3 Å²	3	51 Å²	51	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.9	170.7	0	0	0	0	0	112.2	L149 V275	A119-L149 VanDerWaalsContact CA-O 3.24Å; A119-L149 WeakPolarHBondContact CA-O 3.12Å; A119-V275 HydrophobicContact CB-CG2 4.02Å; A119-V275 PolarHBondContact O-N 3.42Å
120	V	98.7	Very high	95.6	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148	173.2	-65	0	0	0	0	111.1	F118 F148 L149 I151 Y272 D273 V274	F118-V120 HydrophobicContact CD2-CG1 3.92Å; F118-V120 HydrophobicContact CE2-CG1 3.76Å; V120-F148 WeakPolarHBondContact O-CA 3.49Å; V120-L149 HydrophobicContact CG2-CB 3.79Å; V120-L149 HydrophobicContact CG2-CD1 4.13Å; V120-L149 HydrophobicContact CG2-CG 4.26Å; V120-L149 PolarHBondContact N-O 3.35Å; V120-L149 PolarHBondContact O-N 3Å; V120-I151 HydrophobicContact CG2-CD1 4.31Å; V120-I151 HydrophobicContact CG2-CG1 4.45Å; V120-Y272 HydrophobicContact CB-CD1 4.37Å; V120-Y272 HydrophobicContact CB-CG 4.26Å; V120-Y272 HydrophobicContact CG1-CG 4.47Å; V120-Y272 HydrophobicContact CG2-CD1 3.89Å; V120-Y272 HydrophobicContact CG2-CE1 4.47Å; V120-Y272 HydrophobicContact CG2-CG 4.07Å; V120-D273 CarbonylContact C-O 3.57Å; V120-D273 WeakPolarHBondContact CA-O 3.2Å; V120-V274 HydrophobicContact CG1-CG2 4.34Å
121	K	98.3	Very high	95.2	Very high	48 Å²	48	47.2 Å²	47.2	21%	0.209	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.7	163.4	-177.3	-144.9	70.4	-165.4	0	108.4	N123 D147 F148 Y272 D273 V275	K121-N123 WeakPolarHBondContact CE-OD1 3.38Å; K121-N123 PolarHBondContact NZ-OD1 2.97Å; K121-D147 CarbonylContact C-O 3.54Å; K121-D147 VanDerWaalsContact CA-O 3.3Å; K121-D147 WeakPolarHBondContact CA-O 3.18Å; K121-F148 HydrophobicContact CB-CD1 4.07Å; K121-F148 HydrophobicContact CB-CE1 3.84Å; K121-F148 HydrophobicContact CB-CZ 4.41Å; K121-F148 HydrophobicContact CG-CD1 4.37Å; K121-F148 HydrophobicContact CG-CE1 3.93Å; K121-F148 HydrophobicContact CG-CE2 4.47Å; K121-F148 HydrophobicContact CG-CZ 3.98Å; K121-Y272 WeakPolarHBondContact O-CA 3.23Å; K121-D273 WeakPolarHBondContact CE-OD2 3.34Å; K121-D273 PolarHBondContact N-O 2.91Å; K121-D273 IonicContact NZ-OD2 3.22Å; K121-D273 PolarHBondContact NZ-OD2 2.83Å; K121-D273 PolarHBondContact O-N 2.68Å; K121-V275 HydrophobicContact CB-CG1 3.79Å; K121-V275 HydrophobicContact CB-CG2 4.4Å
122	T	98.3	Very high	94.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	149.4	-178.6	67.6	0	0	0	0	111.2	F143 D144 A145 K146 D147 L149 P271 Y272	T122-F143 HydrophobicContact CG2-CB 4.48Å; T122-F143 HydrophobicContact CG2-CD2 3.57Å; T122-F143 HydrophobicContact CG2-CE2 3.82Å; T122-F143 HydrophobicContact CG2-CG 3.98Å; T122-F143 HydrophobicContact CG2-CZ 4.43Å; T122-D144 PolarHBondContact OG1-O 3.06Å; T122-A145 WeakPolarHBondContact OG1-CA 3.2Å; T122-K146 WeakPolarHBondContact O-CA 3.21Å; T122-K146 PolarHBondContact O-N 3.24Å; T122-K146 PolarHBondContact OG1-N 2.89Å; T122-D147 HydrophobicContact CG2-CB 4.26Å; T122-D147 PolarHBondContact N-O 3.45Å; T122-D147 PolarHBondContact OG1-N 2.89Å; T122-D147 PolarHBondContact OG1-O 2.92Å; T122-L149 HydrophobicContact CG2-CD1 3.9Å; T122-L149 HydrophobicContact CG2-CG 4.02Å; T122-P271 CarbonylContact C-O 3.56Å; T122-P271 WeakPolarHBondContact CA-O 3.31Å; T122-Y272 HydrophobicContact CG2-CD1 4.14Å; T122-Y272 HydrophobicContact CG2-CE1 4Å
123	N	96.8	Very high	94.7	Very high	42 Å²	42	55.6 Å²	55.6	23%	0.225	33%	0.328	C	S	.	.	S	Bend	trans	-118.5	-0.8	172.9	-68.8	-44	0	0	0	112.5	K121 V269 P270 P271 D273	K121-N123 WeakPolarHBondContact CE-OD1 3.38Å; K121-N123 PolarHBondContact NZ-OD1 2.97Å; N123-V269 HydrophobicContact CB-CG1 3.68Å; N123-P270 WeakPolarHBondContact CB-O 3.09Å; N123-P270 PolarHBondContact ND2-O 3.15Å; N123-P271 PolarHBondContact N-O 3.32Å; N123-D273 PolarHBondContact ND2-OD2 3.35Å; N123-D273 PolarHBondContact OD1-OD2 3.19Å
124	V	95.9	Very high	94.8	Very high	55 Å²	55	52 Å²	52	33%	0.333	30%	0.303	S	S	.	.	S	Bend	trans	-138.6	155.8	177.5	-62.1	0	0	0	0	108.8	F143 L180 P271	V124-F143 WeakPolarHBondContact O-CD2 3.44Å; V124-F143 VanDerWaalsContact O-CE2 3.28Å; V124-F143 WeakPolarHBondContact O-CE2 3.28Å; V124-L180 HydrophobicContact CG2-CD1 4.27Å; V124-P271 HydrophobicContact CG2-CB 3.73Å
125	S	96.4	Very high	94.8	Very high	68 Å²	68	50.2 Å²	50.2	48%	0.476	30%	0.298	S	S	.	.			trans	-87.4	154	169	-55.8	0	0	0	0	111.2	F143 D144 A145	S125-F143 CarbonylContact C-O 3.55Å; S125-F143 WeakPolarHBondContact CA-O 3.43Å; S125-D144 VanDerWaalsContact CB-OD1 3.3Å; S125-D144 WeakPolarHBondContact CB-OD1 3.18Å; S125-D144 WeakPolarHBondContact OG-CA 3.31Å; S125-D144 PolarHBondContact OG-OD1 3.42Å; S125-A145 PolarHBondContact OG-N 3.24Å
126	Y	96.6	Very high	94.8	Very high	13 Å²	13	45.8 Å²	45.8	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	135.5	176.2	171.6	-101.5	0	0	0	110.7	D131 A140 V141 F143 W159 P175 L180 M183	Y126-D131 HydrophobicContact CE2-CB 4.28Å; Y126-D131 WeakPolarHBondContact OH-CB 3.33Å; Y126-D131 VanDerWaalsContact OH-CG 3.3Å; Y126-D131 PolarHBondContact OH-OD2 3.14Å; Y126-A140 HydrophobicContact CE1-CB 4.42Å; Y126-V141 HydrophobicContact CD1-CG1 4.18Å; Y126-V141 WeakPolarHBondContact CD1-O 3.36Å; Y126-V141 HydrophobicContact CE1-CG1 4.27Å; Y126-V141 WeakPolarHBondContact CE1-O 3.47Å; Y126-F143 VanDerWaalsContact CB-CE2 3.49Å; Y126-F143 HydrophobicContact CD1-CD1 4.34Å; Y126-F143 AromaticContact CD1-CE1 3.89Å; Y126-F143 HydrophobicContact CD1-CE1 3.89Å; Y126-F143 HydrophobicContact CD1-CZ 4.28Å; Y126-F143 HydrophobicContact CG-CE1 4.17Å; Y126-F143 HydrophobicContact CG-CZ 4.07Å; Y126-F143 PolarHBondContact N-O 2.77Å; Y126-F143 PolarHBondContact O-N 3.34Å; Y126-F143 VanDerWaalsContact O-O 3.13Å; Y126-W159 WeakPolarHBondContact OH-CH2 3.48Å; Y126-W159 WeakPolarHBondContact OH-CZ3 3.42Å; Y126-P175 HydrophobicContact CD1-CG 3.8Å; Y126-P175 HydrophobicContact CD2-CG 3.87Å; Y126-P175 HydrophobicContact CE1-CG 3.71Å; Y126-P175 HydrophobicContact CE2-CB 4.21Å; Y126-P175 HydrophobicContact CE2-CG 3.78Å; Y126-P175 HydrophobicContact CG-CG 3.87Å; Y126-L180 HydrophobicContact CD2-CD2 3.73Å; Y126-L180 HydrophobicContact CE2-CD2 4.37Å; Y126-L180 HydrophobicContact CG-CD2 4.31Å; Y126-M183 HydrophobicContact CD2-CE 3.96Å; Y126-M183 HydrophobicContact CD2-SD 4.35Å; Y126-M183 HydrophobicContact CE2-CE 3.69Å; Y126-M183 HydrophobicContact CE2-SD 3.81Å
127	C	94.5	Very high	94.5	Very high	54 Å²	54	52 Å²	52	37%	0.365	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	98.9	178.4	-172.5	0	0	0	0	109.8	A129 L130 N142	C127-A129 PolarHBondContact O-N 3.09Å; C127-L130 HydrophobicContact CB-CD1 4.16Å; C127-L130 HydrophobicContact CB-CG 4.31Å; C127-L130 PolarHBondContact O-N 3.36Å; C127-N142 PolarHBondContact SG-ND2 3.49Å
128	G	91.9	Very high	94.2	Very high	7 Å²	7	52.9 Å²	52.9	7%	0.072	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-58.7	-27.7	179.9	0	0	0	0	0	114.3	L130 D131 A140 V141	G128-L130 PolarHBondContact O-N 2.69Å; G128-L130 VanDerWaalsContact O-N 3.11Å; G128-D131 PolarHBondContact O-N 3.49Å; G128-A140 VanDerWaalsContact CA-CB 3.45Å; G128-V141 WeakPolarHBondContact CA-O 3.17Å; G128-V141 PolarHBondContact N-O 3.23Å
129	A	89.7	Confident	94.1	Very high	72 Å²	72	50.4 Å²	50.4	60%	0.595	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.9	-3.2	175.3	0	0	0	0	0	114.8	C127	C127-A129 PolarHBondContact O-N 3.09Å
130	L	85.9	Confident	94	Very high	142 Å²	142	50.7 Å²	50.7	74%	0.743	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-111.3	6.3	172.9	-58	177.9	0	0	0	112.4	C127 G128	C127-L130 HydrophobicContact CB-CD1 4.16Å; C127-L130 HydrophobicContact CB-CG 4.31Å; C127-L130 PolarHBondContact O-N 3.36Å; G128-L130 PolarHBondContact O-N 2.69Å; G128-L130 VanDerWaalsContact O-N 3.11Å
131	D	88.2	Confident	94	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.053	31%	0.309	C	S	.	.			trans	-114.2	80.5	-173.4	-162.5	-12.5	0	0	0	111.9	Y126 G128 D133 C134 W159 R179	Y126-D131 HydrophobicContact CE2-CB 4.28Å; Y126-D131 WeakPolarHBondContact OH-CB 3.33Å; Y126-D131 VanDerWaalsContact OH-CG 3.3Å; Y126-D131 PolarHBondContact OH-OD2 3.14Å; G128-D131 PolarHBondContact O-N 3.49Å; D131-D133 PolarHBondContact O-N 3.26Å; D131-D133 VanDerWaalsContact O-N 3.1Å; D131-D133 PolarHBondContact OD1-N 3.27Å; D131-C134 WeakPolarHBondContact O-CB 3.38Å; D131-C134 PolarHBondContact O-N 3.44Å; D131-W159 HydrophobicContact CB-CH2 4.46Å; D131-W159 WeakPolarHBondContact OD2-CH2 3.46Å; D131-R179 IonicContact OD1-CZ 3.59Å; D131-R179 IonicContact OD1-NE 3.13Å; D131-R179 IonicContact OD1-NH2 3.2Å; D131-R179 PolarHBondContact OD1-NH2 2.96Å; D131-R179 IonicContact OD2-CZ 2.73Å; D131-R179 IonicContact OD2-NE 2.67Å; D131-R179 PolarHBondContact OD2-NE 3.32Å; D131-R179 IonicContact OD2-NH2 3.8Å
132	E	89.1	Confident	93.9	Very high	154 Å²	154	52.7 Å²	52.7	72%	0.72	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.8	178.6	-52.4	-59.4	142.1	0	0	114.2	C134	E132-C134 VanDerWaalsContact C-N 3.26Å; E132-C134 PolarHBondContact O-N 3.14Å
133	D	91.9	Very high	93.9	Very high	85 Å²	85	53 Å²	53	46%	0.455	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	13.5	178.1	-53	-39.2	0	0	0	112.3	D131 W159 R179	D131-D133 PolarHBondContact O-N 3.26Å; D131-D133 VanDerWaalsContact O-N 3.1Å; D131-D133 PolarHBondContact OD1-N 3.27Å; D133-W159 PolarHBondContact O-NE1 3.46Å; D133-R179 IonicContact OD2-CZ 3.79Å; D133-R179 IonicContact OD2-NH1 3.21Å; D133-R179 PolarHBondContact OD2-NH1 2.83Å; D133-R179 IonicContact OD2-NH2 3.38Å; D133-R179 PolarHBondContact OD2-NH2 3.26Å
134	C	94.8	Very high	94	Very high	17 Å²	17	56 Å²	56	12%	0.115	34%	0.337	C	S	.	.			trans	-65.7	139.7	175.9	-171	0	0	0	0	111.7	D131 E132 V136 A140 W159	D131-C134 WeakPolarHBondContact O-CB 3.38Å; D131-C134 PolarHBondContact O-N 3.44Å; E132-C134 VanDerWaalsContact C-N 3.26Å; E132-C134 PolarHBondContact O-N 3.14Å; C134-V136 PolarHBondContact O-N 3.02Å; C134-V136 VanDerWaalsContact O-N 3.17Å; C134-V136 PolarHBondContact SG-O 3.4Å; C134-A140 HydrophobicContact CB-CB 4.17Å; C134-W159 VanDerWaalsContact CA-CZ2 3.49Å; C134-W159 HydrophobicContact CB-CH2 4.01Å; C134-W159 HydrophobicContact CB-CZ2 4.1Å
135	P	95.9	Very high	94	Very high	25 Å²	25	55.5 Å²	55.5	16%	0.162	34%	0.338	C	S	.	.	S	Bend	trans	-63.9	-20.1	-178.9	-23.5	35.1	0	0	0	115.4	A104 Y155 W159 F173	A104-P135 HydrophobicContact CB-CB 3.9Å; P135-Y155 HydrophobicContact CB-CD1 4.39Å; P135-Y155 HydrophobicContact CB-CE1 3.64Å; P135-Y155 HydrophobicContact CG-CD1 3.85Å; P135-Y155 HydrophobicContact CG-CE1 3.49Å; P135-Y155 VanDerWaalsContact CG-CE1 3.49Å; P135-W159 HydrophobicContact CG-CB 4.41Å; P135-W159 HydrophobicContact CG-CD2 4.4Å; P135-W159 HydrophobicContact CG-CG 3.93Å; P135-F173 HydrophobicContact CB-CD2 4.43Å; P135-F173 HydrophobicContact CB-CE1 4.12Å; P135-F173 HydrophobicContact CB-CE2 3.96Å; P135-F173 HydrophobicContact CB-CZ 3.8Å; P135-F173 HydrophobicContact CG-CD1 4.05Å; P135-F173 HydrophobicContact CG-CD2 4.43Å; P135-F173 HydrophobicContact CG-CE1 3.98Å; P135-F173 HydrophobicContact CG-CE2 4.36Å; P135-F173 HydrophobicContact CG-CG 4.29Å; P135-F173 HydrophobicContact CG-CZ 4.16Å
136	V	95.9	Very high	94	Very high	13 Å²	13	58.8 Å²	58.8	8%	0.079	34%	0.344	C	S	.	.	S	Bend	trans	-136.1	130.7	169.4	178	0	0	0	0	108	E101 A104 Q105 C134 G138 A139 F173	E101-V136 HydrophobicContact CG-CB 4.3Å; E101-V136 HydrophobicContact CG-CG1 4.21Å; E101-V136 HydrophobicContact CG-CG2 4.08Å; E101-V136 WeakPolarHBondContact OE1-CA 3.43Å; A104-V136 HydrophobicContact CB-CG2 3.67Å; Q105-V136 HydrophobicContact CB-CG2 4.03Å; C134-V136 PolarHBondContact O-N 3.02Å; C134-V136 VanDerWaalsContact O-N 3.17Å; C134-V136 PolarHBondContact SG-O 3.4Å; V136-G138 PolarHBondContact O-N 3.25Å; V136-A139 HydrophobicContact CB-CB 3.81Å; V136-A139 HydrophobicContact CG1-CB 3.95Å; V136-A139 PolarHBondContact O-N 3.18Å; V136-F173 HydrophobicContact CB-CE2 3.95Å; V136-F173 HydrophobicContact CG2-CE2 3.72Å; V136-F173 HydrophobicContact CG2-CZ 4.38Å
137	Q	91.8	Very high	94.1	Very high	149 Å²	149	60.7 Å²	60.7	70%	0.696	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	132.7	-176.9	-65.2	-170	-17.5	0	0	111.5	E101 A139	E101-Q137 PolarHBondContact OE1-N 3.35Å; Q137-A139 PolarHBondContact O-N 3.18Å
138	G	91.4	Very high	94.3	Very high	83 Å²	83	59.9 Å²	59.9	86%	0.856	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	-2.7	-178.2	0	0	0	0	0	116.1	V136	V136-G138 PolarHBondContact O-N 3.25Å
139	A	95.9	Very high	94.6	Very high	18 Å²	18	59.6 Å²	59.6	15%	0.149	34%	0.342	C	S	.	.			trans	-93.9	10.1	-179.2	0	0	0	0	0	114.5	L108 V136 Q137 A172 F173	L108-A139 HydrophobicContact CD1-CB 3.93Å; V136-A139 HydrophobicContact CB-CB 3.81Å; V136-A139 HydrophobicContact CG1-CB 3.95Å; V136-A139 PolarHBondContact O-N 3.18Å; Q137-A139 PolarHBondContact O-N 3.18Å; A139-A172 WeakPolarHBondContact O-CB 3.31Å; A139-F173 HydrophobicContact CB-CD2 4.08Å; A139-F173 HydrophobicContact CB-CE2 4.48Å; A139-F173 PolarHBondContact O-N 3.05Å
140	A	97.2	Very high	95	Very high	9 Å²	9	56.3 Å²	56.3	7%	0.074	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-77.5	139.2	172	0	0	0	0	0	110.6	Y126 G128 C134 W159	Y126-A140 HydrophobicContact CE1-CB 4.42Å; G128-A140 VanDerWaalsContact CA-CB 3.45Å; C134-A140 HydrophobicContact CB-CB 4.17Å; A140-W159 HydrophobicContact CB-CH2 4.28Å; A140-W159 HydrophobicContact CB-CZ3 4.26Å
141	V	97.5	Very high	95.6	Very high	10 Å²	10	49.6 Å²	49.6	6%	0.061	28%	0.28	C	S	.	.			trans	-65.9	152.5	177.3	72	0	0	0	0	111.8	Y126 G128 F143 L149 L164 A172 F173 I174	Y126-V141 HydrophobicContact CD1-CG1 4.18Å; Y126-V141 WeakPolarHBondContact CD1-O 3.36Å; Y126-V141 HydrophobicContact CE1-CG1 4.27Å; Y126-V141 WeakPolarHBondContact CE1-O 3.47Å; G128-V141 WeakPolarHBondContact CA-O 3.17Å; G128-V141 PolarHBondContact N-O 3.23Å; V141-F143 HydrophobicContact CG1-CD1 3.53Å; V141-F143 HydrophobicContact CG1-CE1 3.71Å; V141-F143 HydrophobicContact CG2-CD1 4.37Å; V141-L149 HydrophobicContact CG2-CD2 4.49Å; V141-L164 HydrophobicContact CG2-CB 4.4Å; V141-A172 HydrophobicContact CB-CB 4.13Å; V141-F173 WeakPolarHBondContact CG1-O 3.15Å; V141-F173 PolarHBondContact N-O 3.43Å; V141-I174 HydrophobicContact CB-CG1 4.3Å; V141-I174 HydrophobicContact CG1-CB 4.34Å; V141-I174 HydrophobicContact CG1-CG1 3.94Å
142	N	97.1	Very high	96.1	Very high	81 Å²	81	50 Å²	50	43%	0.433	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133	161.7	-67.9	78.1	0	0	0	108.5	C127	C127-N142 PolarHBondContact SG-ND2 3.49Å
143	F	98	Very high	96.5	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.2	173.5	59	-107.2	0	0	0	111.5	T122 V124 S125 Y126 V141 D147 L149 L164 P175 Y272	T122-F143 HydrophobicContact CG2-CB 4.48Å; T122-F143 HydrophobicContact CG2-CD2 3.57Å; T122-F143 HydrophobicContact CG2-CE2 3.82Å; T122-F143 HydrophobicContact CG2-CG 3.98Å; T122-F143 HydrophobicContact CG2-CZ 4.43Å; V124-F143 WeakPolarHBondContact O-CD2 3.44Å; V124-F143 VanDerWaalsContact O-CE2 3.28Å; V124-F143 WeakPolarHBondContact O-CE2 3.28Å; S125-F143 CarbonylContact C-O 3.55Å; S125-F143 WeakPolarHBondContact CA-O 3.43Å; Y126-F143 VanDerWaalsContact CB-CE2 3.49Å; Y126-F143 HydrophobicContact CD1-CD1 4.34Å; Y126-F143 AromaticContact CD1-CE1 3.89Å; Y126-F143 HydrophobicContact CD1-CE1 3.89Å; Y126-F143 HydrophobicContact CD1-CZ 4.28Å; Y126-F143 HydrophobicContact CG-CE1 4.17Å; Y126-F143 HydrophobicContact CG-CZ 4.07Å; Y126-F143 PolarHBondContact N-O 2.77Å; Y126-F143 PolarHBondContact O-N 3.34Å; Y126-F143 VanDerWaalsContact O-O 3.13Å; V141-F143 HydrophobicContact CG1-CD1 3.53Å; V141-F143 HydrophobicContact CG1-CE1 3.71Å; V141-F143 HydrophobicContact CG2-CD1 4.37Å; F143-D147 VanDerWaalsContact CA-OD2 3.3Å; F143-D147 WeakPolarHBondContact CA-OD2 3.37Å; F143-D147 HydrophobicContact CB-CB 4.06Å; F143-D147 WeakPolarHBondContact CB-OD2 3.49Å; F143-L149 HydrophobicContact CB-CD2 4.25Å; F143-L149 HydrophobicContact CD1-CD1 3.8Å; F143-L149 HydrophobicContact CD1-CD2 4.12Å; F143-L149 HydrophobicContact CE1-CD1 3.85Å; F143-L149 HydrophobicContact CG-CD1 4.44Å; F143-L149 HydrophobicContact CG-CD2 4.45Å; F143-L164 HydrophobicContact CB-CD1 4.39Å; F143-P175 HydrophobicContact CE1-CG 4.28Å; F143-P175 HydrophobicContact CZ-CG 4.37Å; F143-Y272 HydrophobicContact CE1-CE1 4.39Å; F143-Y272 HydrophobicContact CE2-CE1 4.28Å; F143-Y272 AromaticContact CZ-CE1 3.81Å; F143-Y272 HydrophobicContact CZ-CE1 3.81Å; F143-Y272 WeakPolarHBondContact CZ-OH 3.48Å
144	D	97.9	Very high	96.9	Very high	103 Å²	103	46.3 Å²	46.3	55%	0.551	26%	0.259	S	S	*	.			trans	-98.4	169.8	168.9	-86.3	-53.4	0	0	0	112	T122 S125 D147	T122-D144 PolarHBondContact OG1-O 3.06Å; S125-D144 VanDerWaalsContact CB-OD1 3.3Å; S125-D144 WeakPolarHBondContact CB-OD1 3.18Å; S125-D144 WeakPolarHBondContact OG-CA 3.31Å; S125-D144 PolarHBondContact OG-OD1 3.42Å; D144-D147 PolarHBondContact N-OD2 3.22Å; D144-D147 WeakPolarHBondContact O-CB 3.48Å; D144-D147 PolarHBondContact O-N 3.44Å
145	A	96.4	Very high	97	Very high	45 Å²	45	48.7 Å²	48.7	37%	0.372	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	140.2	170.2	0	0	0	0	0	111.1	T122 S125 D147	T122-A145 WeakPolarHBondContact OG1-CA 3.2Å; S125-A145 PolarHBondContact OG-N 3.24Å; A145-D147 VanDerWaalsContact C-N 3.33Å
146	K	96.4	Very high	97.1	Very high	138 Å²	138	50.3 Å²	50.3	60%	0.6	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-2.9	-170.2	-48.6	176.3	-179.2	177.8	0	116	T122 F148 D429	T122-K146 WeakPolarHBondContact O-CA 3.21Å; T122-K146 PolarHBondContact O-N 3.24Å; T122-K146 PolarHBondContact OG1-N 2.89Å; K146-F148 WeakPolarHBondContact O-CE2 3.5Å; K146-D429 IonicContact NZ-OD2 3.72Å
147	D	98.3	Very high	97.2	Very high	52 Å²	52	54.6 Å²	54.6	28%	0.278	30%	0.296	S	S	.	.			trans	-63.6	160.9	170.1	-83.6	-16.4	0	0	0	112.4	K121 T122 F143 D144 A145 L164	K121-D147 CarbonylContact C-O 3.54Å; K121-D147 VanDerWaalsContact CA-O 3.3Å; K121-D147 WeakPolarHBondContact CA-O 3.18Å; T122-D147 HydrophobicContact CG2-CB 4.26Å; T122-D147 PolarHBondContact N-O 3.45Å; T122-D147 PolarHBondContact OG1-N 2.89Å; T122-D147 PolarHBondContact OG1-O 2.92Å; F143-D147 VanDerWaalsContact CA-OD2 3.3Å; F143-D147 WeakPolarHBondContact CA-OD2 3.37Å; F143-D147 HydrophobicContact CB-CB 4.06Å; F143-D147 WeakPolarHBondContact CB-OD2 3.49Å; D144-D147 PolarHBondContact N-OD2 3.22Å; D144-D147 WeakPolarHBondContact O-CB 3.48Å; D144-D147 PolarHBondContact O-N 3.44Å; A145-D147 VanDerWaalsContact C-N 3.33Å; D147-L164 HydrophobicContact CB-CD1 3.87Å
148	F	98.7	Very high	97.5	Very high	38 Å²	38	50.4 Å²	50.4	17%	0.167	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131	179.1	-67.4	-92.6	0	0	0	110.6	V120 K121 K146 V165 V275 R279 A384	V120-F148 WeakPolarHBondContact O-CA 3.49Å; K121-F148 HydrophobicContact CB-CD1 4.07Å; K121-F148 HydrophobicContact CB-CE1 3.84Å; K121-F148 HydrophobicContact CB-CZ 4.41Å; K121-F148 HydrophobicContact CG-CD1 4.37Å; K121-F148 HydrophobicContact CG-CE1 3.93Å; K121-F148 HydrophobicContact CG-CE2 4.47Å; K121-F148 HydrophobicContact CG-CZ 3.98Å; K146-F148 WeakPolarHBondContact O-CE2 3.5Å; F148-V165 HydrophobicContact CB-CB 3.99Å; F148-V165 HydrophobicContact CB-CG2 4.02Å; F148-V165 WeakPolarHBondContact O-CB 3.25Å; F148-V165 WeakPolarHBondContact O-CG2 3.47Å; F148-V165 PolarHBondContact O-N 3.05Å; F148-V275 HydrophobicContact CD1-CG2 4.1Å; F148-V275 HydrophobicContact CE1-CG2 4.27Å; F148-R279 HydrophobicContact CD1-CG 4.2Å; F148-R279 HydrophobicContact CE1-CG 3.88Å; F148-R279 HydrophobicContact CZ-CG 4.25Å; F148-R279 VanDerWaalsContact CZ-NE 3.34Å; F148-A384 HydrophobicContact CE1-CB 3.68Å; F148-A384 HydrophobicContact CZ-CB 3.99Å
149	L	98.8	Very high	97.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.5	178.8	-49	175.6	0	0	0	110.3	A119 V120 T122 V141 F143 I151 R163 L164 I174 Y272	A119-L149 VanDerWaalsContact CA-O 3.24Å; A119-L149 WeakPolarHBondContact CA-O 3.12Å; V120-L149 HydrophobicContact CG2-CB 3.79Å; V120-L149 HydrophobicContact CG2-CD1 4.13Å; V120-L149 HydrophobicContact CG2-CG 4.26Å; V120-L149 PolarHBondContact N-O 3.35Å; V120-L149 PolarHBondContact O-N 3Å; T122-L149 HydrophobicContact CG2-CD1 3.9Å; T122-L149 HydrophobicContact CG2-CG 4.02Å; V141-L149 HydrophobicContact CG2-CD2 4.49Å; F143-L149 HydrophobicContact CB-CD2 4.25Å; F143-L149 HydrophobicContact CD1-CD1 3.8Å; F143-L149 HydrophobicContact CD1-CD2 4.12Å; F143-L149 HydrophobicContact CE1-CD1 3.85Å; F143-L149 HydrophobicContact CG-CD1 4.44Å; F143-L149 HydrophobicContact CG-CD2 4.45Å; L149-I151 HydrophobicContact CB-CD1 4.21Å; L149-R163 CarbonylContact C-O 3.55Å; L149-R163 WeakPolarHBondContact CA-O 3.21Å; L149-L164 HydrophobicContact CD2-CB 4.32Å; L149-L164 HydrophobicContact CD2-CD1 3.8Å; L149-I174 HydrophobicContact CB-CD1 4.16Å; L149-I174 HydrophobicContact CD1-CD1 4.24Å; L149-I174 HydrophobicContact CD1-CG2 3.77Å; L149-Y272 HydrophobicContact CD1-CE1 3.95Å
150	H	98.7	Very high	97.9	Very high	3 Å²	3	48 Å²	48	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.3	168.3	-79.2	178.9	0	0	0	109.5	V116 G162 R163 V165 S277	V116-H150 HydrophobicContact CG1-CB 3.95Å; V116-H150 HydrophobicContact CG2-CB 3.96Å; H150-G162 CarbonylContact O-C 3.4Å; H150-G162 WeakPolarHBondContact O-CA 3.35Å; H150-R163 HydrophobicContact CB-CG 4.03Å; H150-R163 PolarHBondContact N-O 2.92Å; H150-R163 PolarHBondContact O-N 2.91Å; H150-V165 HydrophobicContact CB-CG2 4.42Å; H150-V165 VanDerWaalsContact CD2-CG2 3.4Å; H150-V165 WeakPolarHBondContact CD2-CG2 3.33Å; H150-S277 PolarHBondContact NE2-O 3.34Å
151	I	98.7	Very high	98	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.3	177.2	-48.7	-52.3	0	0	0	109.2	A117 F118 V120 L149 W160 I174	A117-I151 PolarHBondContact N-O 2.61Å; F118-I151 HydrophobicContact CD1-CB 4.24Å; F118-I151 HydrophobicContact CD1-CG2 4.49Å; F118-I151 HydrophobicContact CD2-CB 4.26Å; F118-I151 HydrophobicContact CD2-CG1 4.01Å; F118-I151 HydrophobicContact CE1-CB 3.93Å; F118-I151 HydrophobicContact CE1-CG1 4.41Å; F118-I151 HydrophobicContact CE1-CG2 3.78Å; F118-I151 HydrophobicContact CE2-CB 3.97Å; F118-I151 HydrophobicContact CE2-CG1 3.54Å; F118-I151 HydrophobicContact CE2-CG2 4.38Å; F118-I151 HydrophobicContact CG-CB 4.39Å; F118-I151 HydrophobicContact CZ-CB 3.79Å; F118-I151 HydrophobicContact CZ-CG1 3.76Å; F118-I151 HydrophobicContact CZ-CG2 3.72Å; F118-I151 PolarHBondContact N-O 2.84Å; F118-I151 PolarHBondContact O-N 3.47Å; V120-I151 HydrophobicContact CG2-CD1 4.31Å; V120-I151 HydrophobicContact CG2-CG1 4.45Å; L149-I151 HydrophobicContact CB-CD1 4.21Å; I151-W160 HydrophobicContact CD1-CE3 3.81Å; I151-W160 HydrophobicContact CD1-CZ3 4.4Å; I151-W160 HydrophobicContact CG1-CE3 4.02Å; I151-W160 HydrophobicContact CG1-CZ3 4.36Å; I151-W160 HydrophobicContact CG2-CB 4.14Å; I151-W160 HydrophobicContact CG2-CD2 4.41Å; I151-W160 HydrophobicContact CG2-CE3 4.3Å; I151-W160 HydrophobicContact CG2-CG 4.4Å; I151-I174 HydrophobicContact CD1-CD1 3.43Å; I151-I174 VanDerWaalsContact CD1-CD1 3.43Å; I151-I174 HydrophobicContact CD1-CG2 4.32Å
152	K	98	Very high	98	Very high	19 Å²	19	47 Å²	47	8%	0.083	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-50.8	175.7	-60.8	-68.4	-164.3	169.1	0	110.7	A111 K114 P115 V116 A117 I161 I171	A111-K152 HydrophobicContact CB-CB 4.43Å; K114-K152 WeakPolarHBondContact O-CD 3.28Å; K114-K152 WeakPolarHBondContact O-CE 3.3Å; K114-K152 PolarHBondContact O-NZ 2.77Å; P115-K152 VanDerWaalsContact O-CD 3.27Å; P115-K152 WeakPolarHBondContact O-CD 3.35Å; V116-K152 HydrophobicContact CG2-CD 4.35Å; A117-K152 WeakPolarHBondContact CB-O 3.49Å; K152-I161 WeakPolarHBondContact CB-O 3.41Å; K152-I161 PolarHBondContact N-O 3.16Å; K152-I171 HydrophobicContact CD-CD1 4.39Å; K152-I171 HydrophobicContact CG-CD1 3.8Å
153	E	98.1	Very high	98.1	Very high	45 Å²	45	43.3 Å²	43.3	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	172.4	-179.8	66.6	-178.3	175.7	0	0	113.5	Q107 K114 W160 I161	Q107-E153 WeakPolarHBondContact CG-OE1 3.45Å; Q107-E153 PolarHBondContact NE2-OE1 3.13Å; K114-E153 IonicContact NZ-OE1 2.71Å; K114-E153 PolarHBondContact NZ-OE1 3.03Å; K114-E153 IonicContact NZ-OE2 2.64Å; K114-E153 PolarHBondContact NZ-OE2 3.03Å; E153-W160 WeakPolarHBondContact O-CA 3.47Å; E153-I161 HydrophobicContact CG-CB 4.17Å; E153-I161 HydrophobicContact CG-CD1 4.35Å; E153-I161 PolarHBondContact N-O 3.36Å; E153-I161 PolarHBondContact O-N 3.42Å
154	K	98.4	Very high	98.1	Very high	117 Å²	117	44.2 Å²	44.2	51%	0.509	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.7	170.2	-179.5	-178.9	177.8	-174.6	0	109.2	N156 N157	K154-N156 VanDerWaalsContact CE-C 3.42Å; K154-N156 WeakPolarHBondContact CE-O 3.36Å; K154-N156 WeakPolarHBondContact CG-O 3.07Å; K154-N157 PolarHBondContact NZ-OD1 2.97Å
155	Y	98.3	Very high	98.1	Very high	67 Å²	67	40.5 Å²	40.5	26%	0.263	20%	0.199	S	C	.	.			trans	-81.4	-59.1	171.3	175.6	-107.4	0	0	0	110.3	A104 Q107 P135 W159 I161 F173	A104-Y155 HydrophobicContact CB-CE2 4.14Å; A104-Y155 WeakPolarHBondContact CB-OH 3.47Å; Q107-Y155 VanDerWaalsContact OE1-CD2 3.29Å; P135-Y155 HydrophobicContact CB-CD1 4.39Å; P135-Y155 HydrophobicContact CB-CE1 3.64Å; P135-Y155 HydrophobicContact CG-CD1 3.85Å; P135-Y155 HydrophobicContact CG-CE1 3.49Å; P135-Y155 VanDerWaalsContact CG-CE1 3.49Å; Y155-W159 WeakPolarHBondContact CB-O 3.39Å; Y155-W159 HydrophobicContact CD1-CB 4.13Å; Y155-W159 PolarHBondContact N-O 3.14Å; Y155-I161 HydrophobicContact CD2-CD1 4.15Å; Y155-F173 AromaticContact CD1-CE1 4Å; Y155-F173 HydrophobicContact CD1-CE1 4Å; Y155-F173 AromaticContact CD2-CE1 3.95Å; Y155-F173 HydrophobicContact CD2-CE1 3.95Å; Y155-F173 HydrophobicContact CE1-CE1 4.41Å; Y155-F173 HydrophobicContact CE2-CE1 4.38Å; Y155-F173 HydrophobicContact CG-CD1 4.48Å; Y155-F173 AromaticContact CG-CE1 3.75Å; Y155-F173 HydrophobicContact CG-CE1 3.75Å
156	N	97.6	Very high	98	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	21%	0.208	S	C	.	.	S	Bend	trans	-146.2	-163.2	175.3	69.9	18.2	0	0	0	110.3	K154 D158 W159	K154-N156 VanDerWaalsContact CE-C 3.42Å; K154-N156 WeakPolarHBondContact CE-O 3.36Å; K154-N156 WeakPolarHBondContact CG-O 3.07Å; N156-D158 VanDerWaalsContact C-N 3.29Å; N156-D158 PolarHBondContact O-N 3.25Å; N156-D158 PolarHBondContact OD1-N 3.37Å; N156-W159 PolarHBondContact N-O 3.26Å; N156-W159 VanDerWaalsContact O-O 3.14Å; N156-W159 PolarHBondContact OD1-N 3.43Å
157	N	97.7	Very high	97.9	Very high	103 Å²	103	42.8 Å²	42.8	55%	0.551	20%	0.202	S	C	*	.	S	Bend	trans	-69.7	-26	-179	-71.2	-27.5	0	0	0	113.7	K154 S176 L178	K154-N157 PolarHBondContact NZ-OD1 2.97Å; N157-S176 WeakPolarHBondContact O-CB 3.44Å; N157-S176 PolarHBondContact O-OG 3.1Å; N157-L178 HydrophobicContact CB-CD2 4.4Å
158	D	97.6	Very high	97.5	Very high	60 Å²	60	43.8 Å²	43.8	32%	0.321	22%	0.224	S	C	.	.	S	Bend	trans	-100.5	-19.8	-174.4	-61.3	-47.3	0	0	0	112.7	N156 S176 R179	N156-D158 VanDerWaalsContact C-N 3.29Å; N156-D158 PolarHBondContact O-N 3.25Å; N156-D158 PolarHBondContact OD1-N 3.37Å; D158-S176 WeakPolarHBondContact O-CB 3.46Å; D158-S176 PolarHBondContact O-N 3.11Å; D158-R179 HydrophobicContact CB-CB 4.08Å; D158-R179 HydrophobicContact CB-CG 4.46Å; D158-R179 WeakPolarHBondContact O-CB 3.42Å
159	W	98.4	Very high	97.3	Very high	8 Å²	8	43 Å²	43	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.7	-173.9	-60.6	99.5	0	0	0	113.2	Y126 D131 D133 C134 P135 A140 Y155 N156 F173 I174 P175	Y126-W159 WeakPolarHBondContact OH-CH2 3.48Å; Y126-W159 WeakPolarHBondContact OH-CZ3 3.42Å; D131-W159 HydrophobicContact CB-CH2 4.46Å; D131-W159 WeakPolarHBondContact OD2-CH2 3.46Å; D133-W159 PolarHBondContact O-NE1 3.46Å; C134-W159 VanDerWaalsContact CA-CZ2 3.49Å; C134-W159 HydrophobicContact CB-CH2 4.01Å; C134-W159 HydrophobicContact CB-CZ2 4.1Å; P135-W159 HydrophobicContact CG-CB 4.41Å; P135-W159 HydrophobicContact CG-CD2 4.4Å; P135-W159 HydrophobicContact CG-CG 3.93Å; A140-W159 HydrophobicContact CB-CH2 4.28Å; A140-W159 HydrophobicContact CB-CZ3 4.26Å; Y155-W159 WeakPolarHBondContact CB-O 3.39Å; Y155-W159 HydrophobicContact CD1-CB 4.13Å; Y155-W159 PolarHBondContact N-O 3.14Å; N156-W159 PolarHBondContact N-O 3.26Å; N156-W159 VanDerWaalsContact O-O 3.14Å; N156-W159 PolarHBondContact OD1-N 3.43Å; W159-F173 HydrophobicContact CB-CD1 4.21Å; W159-F173 HydrophobicContact CD2-CB 4.39Å; W159-F173 HydrophobicContact CE3-CB 3.68Å; W159-F173 HydrophobicContact CZ3-CB 4.01Å; W159-I174 WeakPolarHBondContact CA-O 3.48Å; W159-P175 HydrophobicContact CE3-CB 4.34Å; W159-P175 HydrophobicContact CZ3-CB 4.16Å
160	W	98.8	Very high	97	Very high	42 Å²	42	46.9 Å²	46.9	16%	0.159	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	164.3	164.7	-61.1	-18.2	0	0	0	109.7	F118 I151 E153 F173 I174 P177 Y272	F118-W160 HydrophobicContact CE2-CH2 4.34Å; F118-W160 HydrophobicContact CE2-CZ3 4.15Å; F118-W160 HydrophobicContact CZ-CE3 4.39Å; F118-W160 HydrophobicContact CZ-CH2 4.18Å; F118-W160 HydrophobicContact CZ-CZ3 4.13Å; I151-W160 HydrophobicContact CD1-CE3 3.81Å; I151-W160 HydrophobicContact CD1-CZ3 4.4Å; I151-W160 HydrophobicContact CG1-CE3 4.02Å; I151-W160 HydrophobicContact CG1-CZ3 4.36Å; I151-W160 HydrophobicContact CG2-CB 4.14Å; I151-W160 HydrophobicContact CG2-CD2 4.41Å; I151-W160 HydrophobicContact CG2-CE3 4.3Å; I151-W160 HydrophobicContact CG2-CG 4.4Å; E153-W160 WeakPolarHBondContact O-CA 3.47Å; W160-F173 WeakPolarHBondContact O-CA 3.41Å; W160-I174 HydrophobicContact CB-CB 4.32Å; W160-I174 PolarHBondContact N-O 2.94Å; W160-I174 PolarHBondContact O-N 3.18Å; W160-P177 HydrophobicContact CH2-CG 4.01Å; W160-P177 HydrophobicContact CZ2-CG 4.29Å; W160-Y272 HydrophobicContact CH2-CD2 4.17Å; W160-Y272 HydrophobicContact CH2-CE2 4.49Å; W160-Y272 AromaticContact CZ3-CD2 3.82Å; W160-Y272 HydrophobicContact CZ3-CD2 3.82Å; W160-Y272 AromaticContact CZ3-CE2 3.93Å; W160-Y272 HydrophobicContact CZ3-CE2 3.93Å
161	I	98.8	Very high	96.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.2	170.6	-64.6	169.7	0	0	0	107.8	Q107 L108 A111 K152 E153 Y155 I171 F173	Q107-I161 HydrophobicContact CB-CD1 4.27Å; Q107-I161 HydrophobicContact CG-CD1 3.72Å; L108-I161 HydrophobicContact CD2-CB 4.48Å; L108-I161 HydrophobicContact CD2-CD1 4.27Å; L108-I161 HydrophobicContact CD2-CG1 3.96Å; L108-I161 HydrophobicContact CD2-CG2 3.82Å; A111-I161 HydrophobicContact CB-CB 4.47Å; A111-I161 HydrophobicContact CB-CG2 3.46Å; A111-I161 VanDerWaalsContact CB-CG2 3.46Å; K152-I161 WeakPolarHBondContact CB-O 3.41Å; K152-I161 PolarHBondContact N-O 3.16Å; E153-I161 HydrophobicContact CG-CB 4.17Å; E153-I161 HydrophobicContact CG-CD1 4.35Å; E153-I161 PolarHBondContact N-O 3.36Å; E153-I161 PolarHBondContact O-N 3.42Å; Y155-I161 HydrophobicContact CD2-CD1 4.15Å; I161-I171 HydrophobicContact CG2-CG2 3.35Å; I161-F173 HydrophobicContact CD1-CE1 4.06Å; I161-F173 HydrophobicContact CG1-CD1 3.97Å; I161-F173 HydrophobicContact CG1-CE1 3.77Å
162	G	98.3	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-160	-177.4	0	0	0	0	0	111.5	H150 I171 A172	H150-G162 CarbonylContact O-C 3.4Å; H150-G162 WeakPolarHBondContact O-CA 3.35Å; G162-I171 CarbonylContact O-C 3.53Å; G162-I171 VanDerWaalsContact O-CA 3.29Å; G162-I171 WeakPolarHBondContact O-CA 3.42Å; G162-A172 PolarHBondContact N-O 2.82Å; G162-A172 VanDerWaalsContact N-O 3.11Å; G162-A172 PolarHBondContact O-N 3.29Å; G162-A172 VanDerWaalsContact O-O 3.09Å
163	R	97.6	Very high	96.9	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.011	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.8	176	56.9	-174.9	-64.5	-89.4	-3.6	112.2	L149 H150 K166 A169 D170 I171 A457	L149-R163 CarbonylContact C-O 3.55Å; L149-R163 WeakPolarHBondContact CA-O 3.21Å; H150-R163 HydrophobicContact CB-CG 4.03Å; H150-R163 PolarHBondContact N-O 2.92Å; H150-R163 PolarHBondContact O-N 2.91Å; R163-K166 PolarHBondContact NH2-O 3.01Å; R163-A169 VanDerWaalsContact CZ-O 3.31Å; R163-A169 PolarHBondContact NE-O 2.96Å; R163-A169 PolarHBondContact NH2-O 3.45Å; R163-D170 VanDerWaalsContact CB-O 3.3Å; R163-D170 WeakPolarHBondContact CB-O 3.3Å; R163-I171 HydrophobicContact CB-CD1 4.1Å; R163-I171 HydrophobicContact CG-CD1 4.15Å; R163-A457 PolarHBondContact NH1-O 3.2Å; R163-A457 PolarHBondContact NH2-O 3.2Å
164	L	98	Very high	97	Very high	26 Å²	26	45 Å²	45	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	137.6	162.5	-176.5	66.9	0	0	0	109.4	V141 F143 D147 L149 K166 A169	V141-L164 HydrophobicContact CG2-CB 4.4Å; F143-L164 HydrophobicContact CB-CD1 4.39Å; D147-L164 HydrophobicContact CB-CD1 3.87Å; L149-L164 HydrophobicContact CD2-CB 4.32Å; L149-L164 HydrophobicContact CD2-CD1 3.8Å; L164-K166 HydrophobicContact CD2-CB 3.96Å; L164-K166 HydrophobicContact CD2-CD 3.94Å; L164-K166 HydrophobicContact CG-CB 3.98Å; L164-K166 PolarHBondContact O-N 2.82Å; L164-A169 HydrophobicContact CB-CB 4.11Å
165	V	97.9	Very high	96.9	Very high	24 Å²	24	39.4 Å²	39.4	15%	0.145	22%	0.216	C	C	.	.	S	Bend	trans	-79.8	78	174.5	-178.2	0	0	0	0	108.7	F148 H150 Y454 A457 T458	F148-V165 HydrophobicContact CB-CB 3.99Å; F148-V165 HydrophobicContact CB-CG2 4.02Å; F148-V165 WeakPolarHBondContact O-CB 3.25Å; F148-V165 WeakPolarHBondContact O-CG2 3.47Å; F148-V165 PolarHBondContact O-N 3.05Å; H150-V165 HydrophobicContact CB-CG2 4.42Å; H150-V165 VanDerWaalsContact CD2-CG2 3.4Å; H150-V165 WeakPolarHBondContact CD2-CG2 3.33Å; V165-Y454 HydrophobicContact CG1-CE2 4.27Å; V165-A457 HydrophobicContact CG1-CB 4.31Å; V165-T458 HydrophobicContact CG1-CG2 3.51Å
166	K	95.8	Very high	96.9	Very high	132 Å²	132	36.4 Å²	36.4	57%	0.574	20%	0.204	S	C	*	.	S	Bend	trans	-147.1	145.2	-179.8	-174	173.3	-178.9	175.4	0	109.4	R163 L164 G168 A169 A457	R163-K166 PolarHBondContact NH2-O 3.01Å; L164-K166 HydrophobicContact CD2-CB 3.96Å; L164-K166 HydrophobicContact CD2-CD 3.94Å; L164-K166 HydrophobicContact CG-CB 3.98Å; L164-K166 PolarHBondContact O-N 2.82Å; K166-G168 PolarHBondContact O-N 2.92Å; K166-A169 HydrophobicContact CB-CB 4.11Å; K166-A169 WeakPolarHBondContact O-CB 3.33Å; K166-A169 PolarHBondContact O-N 2.94Å; K166-A457 PolarHBondContact N-O 3.47Å
167	E	93.1	Very high	96.9	Very high	100 Å²	100	36.1 Å²	36.1	47%	0.467	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	136	175.4	-170.4	167.4	-158.6	0	0	109.9	A169 R456	E167-A169 PolarHBondContact O-N 3.2Å; E167-R456 HydrophobicContact CG-CB 4.21Å; E167-R456 WeakPolarHBondContact OE1-CD 3.5Å; E167-R456 IonicContact OE1-NH1 3.23Å
168	G	90.4	Very high	96.8	Very high	72 Å²	72	36.2 Å²	36.2	74%	0.742	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	-6.3	-175.9	0	0	0	0	0	116.6	K166 D170	K166-G168 PolarHBondContact O-N 2.92Å; G168-D170 PolarHBondContact O-N 2.85Å
169	A	94	Very high	96.7	Very high	23 Å²	23	35 Å²	35	19%	0.19	20%	0.197	C	C	.	.			trans	-77	117.2	177.4	0	0	0	0	0	111.9	R163 L164 K166 E167	R163-A169 VanDerWaalsContact CZ-O 3.31Å; R163-A169 PolarHBondContact NE-O 2.96Å; R163-A169 PolarHBondContact NH2-O 3.45Å; L164-A169 HydrophobicContact CB-CB 4.11Å; K166-A169 HydrophobicContact CB-CB 4.11Å; K166-A169 WeakPolarHBondContact O-CB 3.33Å; K166-A169 PolarHBondContact O-N 2.94Å; E167-A169 PolarHBondContact O-N 3.2Å
170	D	93.9	Very high	96.6	Very high	81 Å²	81	35.7 Å²	35.7	43%	0.433	20%	0.201	S	C	.	.			trans	-82.1	177.1	177.4	-160.3	8.5	0	0	0	112.4	K112 R163 G168	K112-D170 WeakPolarHBondContact CE-OD1 3.17Å; K112-D170 WeakPolarHBondContact CE-OD2 3.46Å; K112-D170 IonicContact NZ-OD1 2.69Å; K112-D170 IonicContact NZ-OD2 3.17Å; K112-D170 PolarHBondContact NZ-OD2 2.82Å; R163-D170 VanDerWaalsContact CB-O 3.3Å; R163-D170 WeakPolarHBondContact CB-O 3.3Å; G168-D170 PolarHBondContact O-N 2.85Å
171	I	96.7	Very high	96.3	Very high	11 Å²	11	36 Å²	36	6%	0.056	20%	0.204	C	C	.	.			trans	-68.2	131	173.4	-64.2	-65.6	0	0	0	111.3	L108 A111 K112 K152 I161 G162 R163 L460	L108-I171 HydrophobicContact CB-CG2 4.46Å; L108-I171 HydrophobicContact CD2-CG2 4.01Å; A111-I171 HydrophobicContact CB-CG2 4.26Å; K112-I171 HydrophobicContact CB-CG1 4.4Å; K112-I171 HydrophobicContact CG-CB 4.1Å; K112-I171 HydrophobicContact CG-CG1 3.72Å; K152-I171 HydrophobicContact CD-CD1 4.39Å; K152-I171 HydrophobicContact CG-CD1 3.8Å; I161-I171 HydrophobicContact CG2-CG2 3.35Å; G162-I171 CarbonylContact O-C 3.53Å; G162-I171 VanDerWaalsContact O-CA 3.29Å; G162-I171 WeakPolarHBondContact O-CA 3.42Å; R163-I171 HydrophobicContact CB-CD1 4.1Å; R163-I171 HydrophobicContact CG-CD1 4.15Å; I171-L460 HydrophobicContact CD1-CD1 4.1Å; I171-L460 HydrophobicContact CG1-CD1 4.08Å
172	A	97.7	Very high	96	Very high	16 Å²	16	38.4 Å²	38.4	13%	0.132	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	167.8	-175.9	0	0	0	0	0	111.4	A139 V141 G162	A139-A172 WeakPolarHBondContact O-CB 3.31Å; V141-A172 HydrophobicContact CB-CB 4.13Å; G162-A172 PolarHBondContact N-O 2.82Å; G162-A172 VanDerWaalsContact N-O 3.11Å; G162-A172 PolarHBondContact O-N 3.29Å; G162-A172 VanDerWaalsContact O-O 3.09Å
173	F	98.6	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.1	169.2	-71.8	-70.8	0	0	0	111.1	A104 L108 P135 V136 A139 V141 Y155 W159 W160 I161	A104-F173 HydrophobicContact CB-CZ 4.02Å; L108-F173 HydrophobicContact CD1-CD2 3.96Å; L108-F173 HydrophobicContact CD1-CE2 3.48Å; L108-F173 VanDerWaalsContact CD1-CE2 3.48Å; L108-F173 HydrophobicContact CD1-CZ 4.09Å; L108-F173 HydrophobicContact CD2-CD1 4.22Å; L108-F173 HydrophobicContact CD2-CD2 3.99Å; L108-F173 HydrophobicContact CD2-CE1 4.01Å; L108-F173 HydrophobicContact CD2-CE2 3.76Å; L108-F173 HydrophobicContact CD2-CG 4.2Å; L108-F173 HydrophobicContact CD2-CZ 3.76Å; L108-F173 HydrophobicContact CG-CD2 4.28Å; L108-F173 HydrophobicContact CG-CE1 4.43Å; L108-F173 HydrophobicContact CG-CE2 3.64Å; L108-F173 HydrophobicContact CG-CZ 3.71Å; P135-F173 HydrophobicContact CB-CD2 4.43Å; P135-F173 HydrophobicContact CB-CE1 4.12Å; P135-F173 HydrophobicContact CB-CE2 3.96Å; P135-F173 HydrophobicContact CB-CZ 3.8Å; P135-F173 HydrophobicContact CG-CD1 4.05Å; P135-F173 HydrophobicContact CG-CD2 4.43Å; P135-F173 HydrophobicContact CG-CE1 3.98Å; P135-F173 HydrophobicContact CG-CE2 4.36Å; P135-F173 HydrophobicContact CG-CG 4.29Å; P135-F173 HydrophobicContact CG-CZ 4.16Å; V136-F173 HydrophobicContact CB-CE2 3.95Å; V136-F173 HydrophobicContact CG2-CE2 3.72Å; V136-F173 HydrophobicContact CG2-CZ 4.38Å; A139-F173 HydrophobicContact CB-CD2 4.08Å; A139-F173 HydrophobicContact CB-CE2 4.48Å; A139-F173 PolarHBondContact O-N 3.05Å; V141-F173 WeakPolarHBondContact CG1-O 3.15Å; V141-F173 PolarHBondContact N-O 3.43Å; Y155-F173 AromaticContact CD1-CE1 4Å; Y155-F173 HydrophobicContact CD1-CE1 4Å; Y155-F173 AromaticContact CD2-CE1 3.95Å; Y155-F173 HydrophobicContact CD2-CE1 3.95Å; Y155-F173 HydrophobicContact CE1-CE1 4.41Å; Y155-F173 HydrophobicContact CE2-CE1 4.38Å; Y155-F173 HydrophobicContact CG-CD1 4.48Å; Y155-F173 AromaticContact CG-CE1 3.75Å; Y155-F173 HydrophobicContact CG-CE1 3.75Å; W159-F173 HydrophobicContact CB-CD1 4.21Å; W159-F173 HydrophobicContact CD2-CB 4.39Å; W159-F173 HydrophobicContact CE3-CB 3.68Å; W159-F173 HydrophobicContact CZ3-CB 4.01Å; W160-F173 WeakPolarHBondContact O-CA 3.41Å; I161-F173 HydrophobicContact CD1-CE1 4.06Å; I161-F173 HydrophobicContact CG1-CD1 3.97Å; I161-F173 HydrophobicContact CG1-CE1 3.77Å
174	I	98.7	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.6	179.4	-60	174.6	0	0	0	108	V141 L149 I151 W159 W160 S176	V141-I174 HydrophobicContact CB-CG1 4.3Å; V141-I174 HydrophobicContact CG1-CB 4.34Å; V141-I174 HydrophobicContact CG1-CG1 3.94Å; L149-I174 HydrophobicContact CB-CD1 4.16Å; L149-I174 HydrophobicContact CD1-CD1 4.24Å; L149-I174 HydrophobicContact CD1-CG2 3.77Å; I151-I174 HydrophobicContact CD1-CD1 3.43Å; I151-I174 VanDerWaalsContact CD1-CD1 3.43Å; I151-I174 HydrophobicContact CD1-CG2 4.32Å; W159-I174 WeakPolarHBondContact CA-O 3.48Å; W160-I174 HydrophobicContact CB-CB 4.32Å; W160-I174 PolarHBondContact N-O 2.94Å; W160-I174 PolarHBondContact O-N 3.18Å; I174-S176 PolarHBondContact O-N 3.1Å
175	P	98.3	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	134.1	179.7	29.6	-37.5	0	0	0	110.3	Y126 F143 W159 R179 L180 Y272	Y126-P175 HydrophobicContact CD1-CG 3.8Å; Y126-P175 HydrophobicContact CD2-CG 3.87Å; Y126-P175 HydrophobicContact CE1-CG 3.71Å; Y126-P175 HydrophobicContact CE2-CB 4.21Å; Y126-P175 HydrophobicContact CE2-CG 3.78Å; Y126-P175 HydrophobicContact CG-CG 3.87Å; F143-P175 HydrophobicContact CE1-CG 4.28Å; F143-P175 HydrophobicContact CZ-CG 4.37Å; W159-P175 HydrophobicContact CE3-CB 4.34Å; W159-P175 HydrophobicContact CZ3-CB 4.16Å; P175-R179 HydrophobicContact CB-CB 4.14Å; P175-R179 HydrophobicContact CB-CG 3.79Å; P175-L180 HydrophobicContact CB-CD2 4.01Å; P175-L180 HydrophobicContact CB-CG 4.04Å; P175-L180 HydrophobicContact CG-CD1 4.4Å; P175-L180 HydrophobicContact CG-CD2 3.73Å; P175-L180 HydrophobicContact CG-CG 4.03Å; P175-Y272 WeakPolarHBondContact O-CE2 3.4Å; P175-Y272 PolarHBondContact O-OH 3.07Å
176	S	98.3	Very high	94.4	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.028	29%	0.285	C	S	.	.			trans	-70.3	163.1	176.4	89.3	0	0	0	0	111	N157 D158 I174 L178 R179 L180	N157-S176 WeakPolarHBondContact O-CB 3.44Å; N157-S176 PolarHBondContact O-OG 3.1Å; D158-S176 WeakPolarHBondContact O-CB 3.46Å; D158-S176 PolarHBondContact O-N 3.11Å; I174-S176 PolarHBondContact O-N 3.1Å; S176-L178 PolarHBondContact O-N 3.32Å; S176-L178 VanDerWaalsContact O-N 3.13Å; S176-L178 WeakPolarHBondContact OG-CB 3.46Å; S176-L178 PolarHBondContact OG-N 3.22Å; S176-R179 PolarHBondContact O-N 3.42Å; S176-R179 VanDerWaalsContact O-N 3.08Å; S176-R179 PolarHBondContact OG-N 3.2Å; S176-L180 PolarHBondContact O-N 3.17Å
177	P	97.3	Very high	94	Very high	54 Å²	54	52 Å²	52	35%	0.351	28%	0.284	S	S	.	.	H	α-helix	trans	-53.8	-31.1	172.1	-26.8	34.5	0	0	0	113.9	W160 E181 P271 Y272	W160-P177 HydrophobicContact CH2-CG 4.01Å; W160-P177 HydrophobicContact CZ2-CG 4.29Å; P177-E181 WeakPolarHBondContact O-CB 3.43Å; P177-E181 PolarHBondContact O-N 2.69Å; P177-E181 VanDerWaalsContact O-N 3.14Å; P177-P271 HydrophobicContact CB-CG 4.01Å; P177-P271 HydrophobicContact CG-CG 4.44Å; P177-Y272 HydrophobicContact CG-CD2 3.93Å; P177-Y272 HydrophobicContact CG-CE2 4.29Å
178	L	95.4	Very high	93.6	Very high	105 Å²	105	49.9 Å²	49.9	55%	0.55	27%	0.274	S	S	.	.	H	α-helix	trans	-70.1	-44	177.4	-178.2	65.2	0	0	0	111.3	N157 S176 E181 A182	N157-L178 HydrophobicContact CB-CD2 4.4Å; S176-L178 PolarHBondContact O-N 3.32Å; S176-L178 VanDerWaalsContact O-N 3.13Å; S176-L178 WeakPolarHBondContact OG-CB 3.46Å; S176-L178 PolarHBondContact OG-N 3.22Å; L178-E181 PolarHBondContact O-N 3.09Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 2.92Å
179	R	95.1	Very high	93.3	Very high	35 Å²	35	52.9 Å²	52.9	13%	0.132	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-47.3	176.7	177.6	67.1	-169	167.9	11.9	111.4	D131 D133 D158 P175 S176 E181 A182 M183	D131-R179 IonicContact OD1-CZ 3.59Å; D131-R179 IonicContact OD1-NE 3.13Å; D131-R179 IonicContact OD1-NH2 3.2Å; D131-R179 PolarHBondContact OD1-NH2 2.96Å; D131-R179 IonicContact OD2-CZ 2.73Å; D131-R179 IonicContact OD2-NE 2.67Å; D131-R179 PolarHBondContact OD2-NE 3.32Å; D131-R179 IonicContact OD2-NH2 3.8Å; D133-R179 IonicContact OD2-CZ 3.79Å; D133-R179 IonicContact OD2-NH1 3.21Å; D133-R179 PolarHBondContact OD2-NH1 2.83Å; D133-R179 IonicContact OD2-NH2 3.38Å; D133-R179 PolarHBondContact OD2-NH2 3.26Å; D158-R179 HydrophobicContact CB-CB 4.08Å; D158-R179 HydrophobicContact CB-CG 4.46Å; D158-R179 WeakPolarHBondContact O-CB 3.42Å; P175-R179 HydrophobicContact CB-CB 4.14Å; P175-R179 HydrophobicContact CB-CG 3.79Å; S176-R179 PolarHBondContact O-N 3.42Å; S176-R179 VanDerWaalsContact O-N 3.08Å; S176-R179 PolarHBondContact OG-N 3.2Å; R179-E181 PolarHBondContact O-N 2.75Å; R179-A182 PolarHBondContact O-N 3.09Å; R179-M183 HydrophobicContact CG-SD 4.21Å; R179-M183 WeakPolarHBondContact O-CG 3.46Å; R179-M183 PolarHBondContact O-N 3.37Å
180	L	95.3	Very high	92.8	Very high	21 Å²	21	58 Å²	58	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-41.9	178	-69	174.8	0	0	0	112.1	V124 Y126 P175 S176 M183 R184 P271 Y272	V124-L180 HydrophobicContact CG2-CD1 4.27Å; Y126-L180 HydrophobicContact CD2-CD2 3.73Å; Y126-L180 HydrophobicContact CE2-CD2 4.37Å; Y126-L180 HydrophobicContact CG-CD2 4.31Å; P175-L180 HydrophobicContact CB-CD2 4.01Å; P175-L180 HydrophobicContact CB-CG 4.04Å; P175-L180 HydrophobicContact CG-CD1 4.4Å; P175-L180 HydrophobicContact CG-CD2 3.73Å; P175-L180 HydrophobicContact CG-CG 4.03Å; S176-L180 PolarHBondContact O-N 3.17Å; L180-M183 HydrophobicContact CD2-SD 4.42Å; L180-M183 PolarHBondContact O-N 2.9Å; L180-R184 WeakPolarHBondContact O-CB 3.34Å; L180-R184 PolarHBondContact O-N 2.94Å; L180-P271 HydrophobicContact CD1-CB 3.52Å; L180-P271 HydrophobicContact CD1-CG 3.97Å; L180-Y272 HydrophobicContact CD1-CE1 4.45Å; L180-Y272 HydrophobicContact CD1-CE2 4.1Å
181	E	92.6	Very high	91.9	Very high	50 Å²	50	59 Å²	59	23%	0.234	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-40.5	175.6	-173.8	59.9	-147.1	0	0	112	P177 L178 R179 R184 L185 H268	P177-E181 WeakPolarHBondContact O-CB 3.43Å; P177-E181 PolarHBondContact O-N 2.69Å; P177-E181 VanDerWaalsContact O-N 3.14Å; L178-E181 PolarHBondContact O-N 3.09Å; R179-E181 PolarHBondContact O-N 2.75Å; E181-R184 WeakPolarHBondContact O-CB 3.46Å; E181-R184 PolarHBondContact O-N 2.84Å; E181-R184 IonicContact OE1-CZ 3.39Å; E181-R184 IonicContact OE1-NE 2.8Å; E181-R184 PolarHBondContact OE1-NE 2.73Å; E181-R184 VanDerWaalsContact OE1-NE 3.14Å; E181-R184 IonicContact OE1-NH2 2.86Å; E181-R184 PolarHBondContact OE1-NH2 2.75Å; E181-R184 IonicContact OE2-NE 3.78Å; E181-R184 PolarHBondContact OE2-NE 3.25Å; E181-R184 VanDerWaalsContact OE2-NE 3.14Å; E181-L185 HydrophobicContact CG-CD1 4.34Å; E181-L185 WeakPolarHBondContact O-CG 3.43Å; E181-L185 PolarHBondContact O-N 3.03Å; E181-H268 IonicContact OE2-CD2 2.72Å; E181-H268 IonicContact OE2-CE1 2.64Å; E181-H268 IonicContact OE2-NE2 3.47Å; E181-H268 PolarHBondContact OE2-NE2 2.9Å
182	A	92.8	Very high	91	Very high	50 Å²	50	66.4 Å²	66.4	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-42.7	176	0	0	0	0	0	112.3	L178 R179 L185 K186	L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 2.92Å; R179-A182 PolarHBondContact O-N 3.09Å; A182-L185 PolarHBondContact O-N 3.33Å; A182-K186 WeakPolarHBondContact O-CB 3.42Å; A182-K186 PolarHBondContact O-N 3.47Å
183	M	91.4	Very high	89.8	Confident	58 Å²	58	68.5 Å²	68.5	29%	0.286	33%	0.33	S	S	.	.	H	α-helix	trans	-60.3	-46.9	173.3	-72.3	171.9	59.7	0	0	111.7	Y126 R179 L180 L185 K186 Q187	Y126-M183 HydrophobicContact CD2-CE 3.96Å; Y126-M183 HydrophobicContact CD2-SD 4.35Å; Y126-M183 HydrophobicContact CE2-CE 3.69Å; Y126-M183 HydrophobicContact CE2-SD 3.81Å; R179-M183 HydrophobicContact CG-SD 4.21Å; R179-M183 WeakPolarHBondContact O-CG 3.46Å; R179-M183 PolarHBondContact O-N 3.37Å; L180-M183 HydrophobicContact CD2-SD 4.42Å; L180-M183 PolarHBondContact O-N 2.9Å; M183-L185 VanDerWaalsContact C-N 3.33Å; M183-L185 PolarHBondContact O-N 3.38Å; M183-K186 WeakPolarHBondContact O-CB 3.33Å; M183-K186 PolarHBondContact O-N 2.86Å; M183-Q187 PolarHBondContact O-N 2.87Å
184	R	90.4	Very high	88.3	Confident	82 Å²	82	73 Å²	73	31%	0.309	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-46.8	178.1	-163.3	-169.7	73	63.4	14.7	111.2	L180 E181 Q187 E188	L180-R184 WeakPolarHBondContact O-CB 3.34Å; L180-R184 PolarHBondContact O-N 2.94Å; E181-R184 WeakPolarHBondContact O-CB 3.46Å; E181-R184 PolarHBondContact O-N 2.84Å; E181-R184 IonicContact OE1-CZ 3.39Å; E181-R184 IonicContact OE1-NE 2.8Å; E181-R184 PolarHBondContact OE1-NE 2.73Å; E181-R184 VanDerWaalsContact OE1-NE 3.14Å; E181-R184 IonicContact OE1-NH2 2.86Å; E181-R184 PolarHBondContact OE1-NH2 2.75Å; E181-R184 IonicContact OE2-NE 3.78Å; E181-R184 PolarHBondContact OE2-NE 3.25Å; E181-R184 VanDerWaalsContact OE2-NE 3.14Å; R184-Q187 PolarHBondContact O-N 3.18Å; R184-E188 IonicContact CZ-OE1 3.08Å; R184-E188 IonicContact NH1-OE1 3.49Å; R184-E188 PolarHBondContact NH1-OE1 2.76Å; R184-E188 IonicContact NH1-OE2 2.67Å; R184-E188 IonicContact NH2-OE1 3.37Å; R184-E188 WeakPolarHBondContact O-CG 3.13Å; R184-E188 PolarHBondContact O-N 3.02Å
185	L	89.8	Confident	86.6	Confident	70 Å²	70	76.8 Å²	76.8	37%	0.366	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-39.7	176.6	-69.3	169.6	0	0	0	112.9	E181 A182 M183 Q187 E188 Q189	E181-L185 HydrophobicContact CG-CD1 4.34Å; E181-L185 WeakPolarHBondContact O-CG 3.43Å; E181-L185 PolarHBondContact O-N 3.03Å; A182-L185 PolarHBondContact O-N 3.33Å; M183-L185 VanDerWaalsContact C-N 3.33Å; M183-L185 PolarHBondContact O-N 3.38Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3Å; L185-E188 PolarHBondContact O-N 3.04Å; L185-Q189 WeakPolarHBondContact O-CG 3.09Å; L185-Q189 PolarHBondContact O-N 3.14Å
186	K	87.9	Confident	84.8	Confident	139 Å²	139	81.2 Å²	81.2	60%	0.604	40%	0.397	S	S	*	.	H	α-helix	trans	-61.9	-40.7	175.2	-171.4	179.3	-179.3	-176.8	0	111	A182 M183 Q189 K190	A182-K186 WeakPolarHBondContact O-CB 3.42Å; A182-K186 PolarHBondContact O-N 3.47Å; M183-K186 WeakPolarHBondContact O-CB 3.33Å; M183-K186 PolarHBondContact O-N 2.86Å; K186-Q189 PolarHBondContact O-N 2.89Å; K186-K190 PolarHBondContact O-N 3.32Å
187	Q	85.7	Confident	82.9	Confident	121 Å²	121	85.2 Å²	85.2	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-67.5	-44.5	176.5	-166.3	179.7	14.8	0	0	112.3	M183 R184 L185 Q189 K190 Q191	M183-Q187 PolarHBondContact O-N 2.87Å; R184-Q187 PolarHBondContact O-N 3.18Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3Å; Q187-Q189 VanDerWaalsContact C-N 3.33Å; Q187-Q189 PolarHBondContact O-N 3.04Å; Q187-K190 PolarHBondContact O-N 3.01Å; Q187-Q191 WeakPolarHBondContact O-CG 3.36Å; Q187-Q191 PolarHBondContact O-N 3.18Å
188	E	86.2	Confident	80.8	Confident	56 Å²	56	86.5 Å²	86.5	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-59.1	-41.7	173.8	-76	-175	167.2	0	0	112.4	R184 L185 R192	R184-E188 IonicContact CZ-OE1 3.08Å; R184-E188 IonicContact NH1-OE1 3.49Å; R184-E188 PolarHBondContact NH1-OE1 2.76Å; R184-E188 IonicContact NH1-OE2 2.67Å; R184-E188 IonicContact NH2-OE1 3.37Å; R184-E188 WeakPolarHBondContact O-CG 3.13Å; R184-E188 PolarHBondContact O-N 3.02Å; L185-E188 PolarHBondContact O-N 3.04Å; E188-R192 WeakPolarHBondContact O-CB 3.4Å; E188-R192 WeakPolarHBondContact O-CG 3.41Å; E188-R192 PolarHBondContact O-N 3.42Å
189	Q	84.3	Confident	78.9	Confident	134 Å²	134	87.8 Å²	87.8	63%	0.626	44%	0.437	S	S	*	.	H	α-helix	trans	-65.3	-43.3	176.8	-73.4	178.6	19.5	0	0	111.5	L185 K186 Q187 R192 S193	L185-Q189 WeakPolarHBondContact O-CG 3.09Å; L185-Q189 PolarHBondContact O-N 3.14Å; K186-Q189 PolarHBondContact O-N 2.89Å; Q187-Q189 VanDerWaalsContact C-N 3.33Å; Q187-Q189 PolarHBondContact O-N 3.04Å; Q189-R192 PolarHBondContact O-N 3.12Å; Q189-S193 PolarHBondContact O-N 2.85Å; Q189-S193 PolarHBondContact O-OG 3.4Å
190	K	82.7	Confident	76.8	Confident	130 Å²	130	93.9 Å²	93.9	57%	0.565	47%	0.465	S	S	*	.	H	α-helix	trans	-59	-51.7	176.5	-161.9	-170.8	-175.1	-153.9	0	111	K186 Q187 R192 S193 E194	K186-K190 PolarHBondContact O-N 3.32Å; Q187-K190 PolarHBondContact O-N 3.01Å; K190-R192 VanDerWaalsContact C-N 3.33Å; K190-R192 PolarHBondContact O-N 2.78Å; K190-S193 PolarHBondContact O-N 2.65Å; K190-S193 PolarHBondContact O-OG 3.28Å; K190-E194 WeakPolarHBondContact CE-OE1 3.35Å; K190-E194 IonicContact NZ-OE1 2.83Å; K190-E194 PolarHBondContact NZ-OE1 2.89Å; K190-E194 WeakPolarHBondContact O-CG 3.3Å; K190-E194 PolarHBondContact O-N 3.2Å
191	Q	75.5	Confident	74.7	Confident	104 Å²	104	98.6 Å²	98.6	49%	0.486	49%	0.494	S	S	.	.	H	α-helix	trans	-57.1	-42.9	177	-70.8	174.9	8.5	0	0	112.4	Q187 S193 E194 V195	Q187-Q191 WeakPolarHBondContact O-CG 3.36Å; Q187-Q191 PolarHBondContact O-N 3.18Å; Q191-S193 PolarHBondContact O-N 3.14Å; Q191-E194 PolarHBondContact O-N 3.46Å; Q191-V195 WeakPolarHBondContact O-CB 3.45Å; Q191-V195 VanDerWaalsContact O-CG2 3.3Å; Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 2.91Å
192	R	77	Confident	72.5	Confident	166 Å²	166	99.8 Å²	99.8	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-63.2	-40.3	175.1	-74.5	177.1	-175.9	170.9	10.2	112.5	E188 Q189 K190 I196	E188-R192 WeakPolarHBondContact O-CB 3.4Å; E188-R192 WeakPolarHBondContact O-CG 3.41Å; E188-R192 PolarHBondContact O-N 3.42Å; Q189-R192 PolarHBondContact O-N 3.12Å; K190-R192 VanDerWaalsContact C-N 3.33Å; K190-R192 PolarHBondContact O-N 2.78Å; R192-I196 WeakPolarHBondContact O-CD1 3.43Å; R192-I196 VanDerWaalsContact O-CG1 3.26Å; R192-I196 WeakPolarHBondContact O-CG1 3.43Å; R192-I196 PolarHBondContact O-N 3.26Å
193	S	72.1	Confident	70.2	Confident	60 Å²	60	99.7 Å²	99.7	42%	0.42	52%	0.524	S	S	.	.	H	α-helix	trans	-68.8	-37.3	177.7	70.6	0	0	0	0	112.6	Q189 K190 Q191 I196 T197	Q189-S193 PolarHBondContact O-N 2.85Å; Q189-S193 PolarHBondContact O-OG 3.4Å; K190-S193 PolarHBondContact O-N 2.65Å; K190-S193 PolarHBondContact O-OG 3.28Å; Q191-S193 PolarHBondContact O-N 3.14Å; S193-I196 PolarHBondContact O-N 3.5Å; S193-T197 WeakPolarHBondContact O-CB 3.42Å; S193-T197 PolarHBondContact O-N 3.04Å; S193-T197 PolarHBondContact O-OG1 3.25Å
194	E	66.8	Low	67.5	Low	93 Å²	93	104.6 Å²	104.6	44%	0.435	55%	0.552	S	S	.	*	H	α-helix	trans	-65.6	-46.1	174.9	-72.2	167.4	171.6	0	0	110.8	K190 Q191 I196 T197 C198	K190-E194 WeakPolarHBondContact CE-OE1 3.35Å; K190-E194 IonicContact NZ-OE1 2.83Å; K190-E194 PolarHBondContact NZ-OE1 2.89Å; K190-E194 WeakPolarHBondContact O-CG 3.3Å; K190-E194 PolarHBondContact O-N 3.2Å; Q191-E194 PolarHBondContact O-N 3.46Å; E194-I196 PolarHBondContact O-N 3.31Å; E194-T197 WeakPolarHBondContact O-CA 3.39Å; E194-T197 WeakPolarHBondContact O-CB 3.18Å; E194-T197 PolarHBondContact O-N 2.76Å; E194-C198 PolarHBondContact O-N 3.42Å; E194-C198 PolarHBondContact O-SG 3.31Å; E194-C198 VanDerWaalsContact O-SG 3.38Å
195	V	63.4	Low	65.1	Low	80 Å²	80	106.6 Å²	106.6	49%	0.485	58%	0.578	S	S	.	*	H	α-helix	trans	-60.3	-42.4	175	170.1	0	0	0	0	112.2	Q191 T197 C198 L199	Q191-V195 WeakPolarHBondContact O-CB 3.45Å; Q191-V195 VanDerWaalsContact O-CG2 3.3Å; Q191-V195 WeakPolarHBondContact O-CG2 3.45Å; Q191-V195 PolarHBondContact O-N 2.91Å; V195-T197 PolarHBondContact O-N 3.42Å; V195-C198 PolarHBondContact O-SG 2.92Å; V195-C198 VanDerWaalsContact O-SG 3.37Å; V195-L199 HydrophobicContact CG1-CD1 3.89Å; V195-L199 WeakPolarHBondContact O-CB 3.33Å; V195-L199 WeakPolarHBondContact O-CD1 3.34Å; V195-L199 VanDerWaalsContact O-CG 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 2.88Å; V195-L199 VanDerWaalsContact O-N 3.1Å
196	I	60.3	Low	62.8	Low	94 Å²	94	108.6 Å²	108.6	48%	0.482	60%	0.598	S	S	.	*	H	α-helix	trans	-64.7	-31.2	174.8	-70.4	164.9	0	0	0	111.5	R192 S193 E194 K200	R192-I196 WeakPolarHBondContact O-CD1 3.43Å; R192-I196 VanDerWaalsContact O-CG1 3.26Å; R192-I196 WeakPolarHBondContact O-CG1 3.43Å; R192-I196 PolarHBondContact O-N 3.26Å; S193-I196 PolarHBondContact O-N 3.5Å; E194-I196 PolarHBondContact O-N 3.31Å; I196-K200 WeakPolarHBondContact O-CG 3.36Å; I196-K200 PolarHBondContact O-N 2.96Å
197	T	58.5	Low	60.4	Low	87 Å²	87	108 Å²	108	53%	0.534	61%	0.611	S	S	.	*	H	α-helix	trans	-74.4	-48.2	-179.2	-57.9	0	0	0	0	111.2	S193 E194 V195 L199 K200 T201	S193-T197 WeakPolarHBondContact O-CB 3.42Å; S193-T197 PolarHBondContact O-N 3.04Å; S193-T197 PolarHBondContact O-OG1 3.25Å; E194-T197 WeakPolarHBondContact O-CA 3.39Å; E194-T197 WeakPolarHBondContact O-CB 3.18Å; E194-T197 PolarHBondContact O-N 2.76Å; V195-T197 PolarHBondContact O-N 3.42Å; T197-L199 PolarHBondContact O-N 3.21Å; T197-K200 WeakPolarHBondContact O-CB 3.4Å; T197-K200 PolarHBondContact O-N 3.04Å; T197-K200 VanDerWaalsContact O-N 3.11Å; T197-T201 PolarHBondContact O-N 2.86Å; T197-T201 PolarHBondContact O-OG1 2.82Å
198	C	53.6	Low	58.3	Low	82 Å²	82	111 Å²	111	55%	0.554	63%	0.63	S	S	*	*	H	α-helix	trans	-69.5	-29.8	178.1	59.1	0	0	0	0	113.4	E194 V195 K200 T201 G202	E194-C198 PolarHBondContact O-N 3.42Å; E194-C198 PolarHBondContact O-SG 3.31Å; E194-C198 VanDerWaalsContact O-SG 3.38Å; V195-C198 PolarHBondContact O-SG 2.92Å; V195-C198 VanDerWaalsContact O-SG 3.37Å; C198-K200 VanDerWaalsContact C-N 3.25Å; C198-K200 PolarHBondContact O-N 3.07Å; C198-T201 PolarHBondContact O-N 2.91Å; C198-G202 PolarHBondContact O-N 2.87Å
199	L	55	Low	56	Low	131 Å²	131	111.3 Å²	111.3	69%	0.686	65%	0.649	S	S	*	*	H	α-helix	trans	-62.8	-28.9	169.7	-77.4	167.6	0	0	0	113.2	V195 T197	V195-L199 HydrophobicContact CG1-CD1 3.89Å; V195-L199 WeakPolarHBondContact O-CB 3.33Å; V195-L199 WeakPolarHBondContact O-CD1 3.34Å; V195-L199 VanDerWaalsContact O-CG 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 2.88Å; V195-L199 VanDerWaalsContact O-N 3.1Å; T197-L199 PolarHBondContact O-N 3.21Å
200	K	52.3	Low	53.6	Low	164 Å²	164	112.1 Å²	112.1	71%	0.713	66%	0.657	S	S	*	*	H	α-helix	trans	-79.1	-22.7	175.4	-74.4	174.1	178.6	-178.5	0	113.5	I196 T197 C198	I196-K200 WeakPolarHBondContact O-CG 3.36Å; I196-K200 PolarHBondContact O-N 2.96Å; T197-K200 WeakPolarHBondContact O-CB 3.4Å; T197-K200 PolarHBondContact O-N 3.04Å; T197-K200 VanDerWaalsContact O-N 3.11Å; C198-K200 VanDerWaalsContact C-N 3.25Å; C198-K200 PolarHBondContact O-N 3.07Å
201	T	49.5	Very low	51.4	Low	119 Å²	119	113.1 Å²	113.1	73%	0.73	67%	0.666	S	S	*	*	H	α-helix	trans	-83.4	-16.5	176	-39.3	0	0	0	0	112.5	T197 C198 G203	T197-T201 PolarHBondContact O-N 2.86Å; T197-T201 PolarHBondContact O-OG1 2.82Å; C198-T201 PolarHBondContact O-N 2.91Å; T201-G203 VanDerWaalsContact C-N 3.28Å; T201-G203 PolarHBondContact O-N 2.91Å
202	G	47	Very low	49.3	Very low	75 Å²	75	115.1 Å²	115.1	77%	0.773	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	5.5	-179	0	0	0	0	0	116.3	C198	C198-G202 PolarHBondContact O-N 2.87Å
203	G	44.7	Very low	47.1	Very low	48 Å²	48	112.6 Å²	112.6	50%	0.495	69%	0.693	S	S	.	*	S	Bend	trans	-160.2	78.9	-174	0	0	0	0	0	114.2	T201	T201-G203 VanDerWaalsContact C-N 3.28Å; T201-G203 PolarHBondContact O-N 2.91Å
204	N	34.6	Very low	45	Very low	162 Å²	162	113.4 Å²	113.4	87%	0.866	71%	0.71	S	S	*	*			trans	178	112.6	132.1	-93.4	0.9	0	0	0	110.8
205	S	40.8	Very low	43.4	Very low	123 Å²	123	113.9 Å²	113.9	86%	0.86	72%	0.724	S	S	*	*			trans	-85.2	103	164.8	51.4	0	0	0	0	110.3
206	S	41.2	Very low	41.8	Very low	112 Å²	112	121.7 Å²	121.7	78%	0.783	75%	0.745	S	S	*	*			trans	179.8	108.8	153.2	42.5	0	0	0	0	114.5
207	S	37.9	Very low	40.4	Very low	127 Å²	127	128.5 Å²	128.5	89%	0.888	76%	0.764	S	S	*	*			trans	-149.6	135.8	135.5	62	0	0	0	0	109.5
208	L	41.2	Very low	39	Very low	183 Å²	183	131.2 Å²	131.2	96%	0.958	78%	0.781	S	S	*	*			trans	-101	140.5	-176.6	-85.7	151.7	0	0	0	110.9
209	G	36.7	Very low	38	Very low	64 Å²	64	133.7 Å²	133.7	66%	0.66	79%	0.794	S	S	*	*			trans	73.9	163.2	165.8	0	0	0	0	0	117.5
210	D	35.3	Very low	37.3	Very low	150 Å²	150	133 Å²	133	80%	0.802	80%	0.798	S	S	*	*			cis	-179.1	162.2	-20.8	-119.9	-57.7	0	0	0	108.2
211	M	36.8	Very low	36.7	Very low	152 Å²	152	131 Å²	131	75%	0.749	80%	0.801	S	S	*	*			cis	-144.8	164.4	1.6	-44.5	176	75	0	0	110.8
212	V	30.4	Very low	35.7	Very low	145 Å²	145	131 Å²	131	88%	0.879	81%	0.806	S	S	*	*			trans	67.2	146.2	149.2	111.4	0	0	0	0	118.1
213	S	30.7	Very low	34.8	Very low	114 Å²	114	132.4 Å²	132.4	80%	0.797	81%	0.81	S	S	*	*			cis	-148.3	168.7	4	73.5	0	0	0	0	110.7
214	G	29.1	Very low	34	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	83%	0.825	S	S	*	*			trans	134	82	162.6	0	0	0	0	0	115.8
215	S	32.9	Very low	33.6	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	82%	0.819	S	S	*	*			trans	-65.1	136.5	168.7	171.5	0	0	0	0	111.8
216	W	29.2	Very low	32.8	Very low	245 Å²	245	134.1 Å²	134.1	93%	0.928	82%	0.821	S	S	*	*				-161.1	131.2	128.4	-82.2	109.6	0	0	0	110
217	R	31.2	Very low	32.1	Very low	236 Å²	236	135.9 Å²	135.9	89%	0.891	81%	0.814	S	S	*	*			trans	-105.4	132.4	165.9	-70.4	-176.2	-177	-128.1	4.4	109.1
218	T	28.7	Very low	31.6	Very low	144 Å²	144	140.8 Å²	140.8	88%	0.883	82%	0.815	S	S	*	*			trans	-146.7	153	153.9	34.7	0	0	0	0	111
219	T	32.4	Very low	30.9	Very low	134 Å²	134	137.9 Å²	137.9	82%	0.822	81%	0.809	S	S	*	*			trans	-84.8	164.2	-166.8	39.8	0	0	0	0	115.2
220	P	41.8	Very low	30.5	Very low	118 Å²	118	140.3 Å²	140.3	77%	0.766	82%	0.816	S	S	*	*			trans	-87.6	160.6	-178.3	36.8	-37.1	0	0	0	114.2
221	P	39.5	Very low	30.5	Very low	120 Å²	120	139.1 Å²	139.1	78%	0.779	82%	0.816	S	S	*	*				-133.3	143.4	115.9	35.5	-25	0	0	0	111.2
222	S	27.7	Very low	30.4	Very low	119 Å²	119	138.4 Å²	138.4	83%	0.832	81%	0.814	S	S	*	*			cis	92.8	134.5	48.7	-164.1	0	0	0	0	114.2
223	A	28.4	Very low	30.3	Very low	105 Å²	105	139.4 Å²	139.4	87%	0.868	81%	0.814	S	S	*	*			trans	73.7	122.1	170.2	0	0	0	0	0	119.5
224	G	27.6	Very low	30.3	Very low	79 Å²	79	143.2 Å²	143.2	81%	0.814	81%	0.812	S	S	*	*			trans	160.9	55.7	175	0	0	0	0	0	113.4
225	E	26.2	Very low	30.3	Very low	156 Å²	156	146.9 Å²	146.9	73%	0.729	81%	0.808	S	S	*	*			trans	-64.2	139.1	177.3	-69.4	-169.3	143	0	0	112.2	K227	E225-K227 WeakPolarHBondContact OE1-CE 3.45Å; E225-K227 IonicContact OE1-NZ 2.62Å; E225-K227 PolarHBondContact OE1-NZ 2.89Å; E225-K227 IonicContact OE2-NZ 3.78Å; E225-K227 PolarHBondContact OE2-NZ 3.06Å
226	C	24	Very low	30.1	Very low	134 Å²	134	152.2 Å²	152.2	91%	0.905	81%	0.813	S	S	*	*			trans	-140.3	119.7	151.4	-157.4	0	0	0	0	109.7
227	K	26.7	Very low	29.9	Very low	149 Å²	149	146.2 Å²	146.2	65%	0.648	80%	0.799	S	S	*	*			trans	-99.6	121.3	-172.3	-71.6	165.6	170.4	131.5	0	110.3	E225	E225-K227 WeakPolarHBondContact OE1-CE 3.45Å; E225-K227 IonicContact OE1-NZ 2.62Å; E225-K227 PolarHBondContact OE1-NZ 2.89Å; E225-K227 IonicContact OE2-NZ 3.78Å; E225-K227 PolarHBondContact OE2-NZ 3.06Å
228	Y	26.4	Very low	30.2	Very low	230 Å²	230	140.5 Å²	140.5	90%	0.902	79%	0.79	S	S	*	*			trans	-175	98.2	130.8	-121.2	-87.4	0	0	0	111.8
229	C	26.6	Very low	30.2	Very low	122 Å²	122	140.6 Å²	140.6	82%	0.824	79%	0.785	S	S	*	*			trans	163.5	98.8	142.3	-99.9	0	0	0	0	109.8
230	S	29.2	Very low	30	Very low	116 Å²	116	140 Å²	140	81%	0.811	78%	0.781	S	S	*	*			trans	-114.7	117.2	168.4	-58.5	0	0	0	0	109.2
231	P	34.9	Very low	29.5	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	79%	0.787	S	S	*	*			trans	-68.9	127.9	161.2	-13.3	29.1	0	0	0	108.7	L233	P231-L233 PolarHBondContact O-N 2.84Å
232	I	34.5	Very low	29.1	Very low	137 Å²	137	140.8 Å²	140.8	70%	0.703	79%	0.787	S	S	*	*			trans	-70.6	111.1	174.2	-62.7	173.2	0	0	0	108.4	Y234	I232-Y234 HydrophobicContact CG2-CD2 3.92Å; I232-Y234 HydrophobicContact CG2-CE2 3.68Å; I232-Y234 HydrophobicContact CG2-CG 4.44Å
233	L	28.3	Very low	29.6	Very low	167 Å²	167	139.5 Å²	139.5	87%	0.874	78%	0.783	S	S	*	*			trans	-105.5	116.5	162	-174.9	64.6	0	0	0	108	P231 H235	P231-L233 PolarHBondContact O-N 2.84Å; L233-H235 PolarHBondContact O-N 2.9Å
234	Y	31.6	Very low	29.8	Very low	194 Å²	194	138.4 Å²	138.4	76%	0.761	77%	0.774	S	S	*	*			trans	-68.1	129.5	-176.9	-79.2	-88.5	0	0	0	111.9	I232	I232-Y234 HydrophobicContact CG2-CD2 3.92Å; I232-Y234 HydrophobicContact CG2-CE2 3.68Å; I232-Y234 HydrophobicContact CG2-CG 4.44Å
235	H	27.8	Very low	30.8	Very low	152 Å²	152	140.4 Å²	140.4	70%	0.704	78%	0.775	S	S	*	*			trans	-63.8	137.2	169.8	-162.3	-101.3	0	0	0	110.6	L233 D237	L233-H235 PolarHBondContact O-N 2.9Å; H235-D237 IonicContact CE1-OD1 2.73Å; H235-D237 PolarHBondContact CE1-OD1 2.86Å; H235-D237 IonicContact CE1-OD2 3.64Å; H235-D237 PolarHBondContact CE1-OD2 2.67Å; H235-D237 IonicContact ND1-OD1 2.73Å; H235-D237 IonicContact ND1-OD2 2.78Å; H235-D237 PolarHBondContact ND1-OD2 3.08Å
236	W	28.9	Very low	31.4	Very low	216 Å²	216	138.4 Å²	138.4	82%	0.818	78%	0.779	S	S	*	*			trans	-140.6	124.1	153.4	68.8	-81.3	0	0	0	109.4
237	D	26.5	Very low	32.2	Very low	119 Å²	119	133.9 Å²	133.9	64%	0.636	76%	0.755	S	S	*	*			trans	-70	137.4	-178.5	-72.4	-77.8	0	0	0	111.7	H235	H235-D237 IonicContact CE1-OD1 2.73Å; H235-D237 PolarHBondContact CE1-OD1 2.86Å; H235-D237 IonicContact CE1-OD2 3.64Å; H235-D237 PolarHBondContact CE1-OD2 2.67Å; H235-D237 IonicContact ND1-OD1 2.73Å; H235-D237 IonicContact ND1-OD2 2.78Å; H235-D237 PolarHBondContact ND1-OD2 3.08Å
238	T	35.7	Very low	32.9	Very low	116 Å²	116	133 Å²	133	71%	0.712	76%	0.756	S	S	*	*			trans	-80.3	117.2	166.6	50	0	0	0	0	110.2
239	N	28.8	Very low	33.7	Very low	145 Å²	145	128.7 Å²	128.7	78%	0.775	75%	0.748	S	S	*	*			trans	-145.1	127.8	153	-100.4	-41.9	0	0	0	111.9
240	T	29.7	Very low	34.3	Very low	121 Å²	121	128.8 Å²	128.8	74%	0.742	74%	0.74	S	S	*	*			trans	44.3	103.7	156.8	57.1	0	0	0	0	118.5
241	V	29.7	Very low	34.7	Very low	144 Å²	144	131.1 Å²	131.1	87%	0.873	74%	0.736	S	S	*	*				-169.1	143.7	87.7	-85.9	0	0	0	0	113.7
242	S	31.8	Very low	35	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	72%	0.722	S	S	*	*			trans	-2.4	135.4	156.9	-158.9	0	0	0	0	121.9
243	A	37.6	Very low	35.4	Very low	92 Å²	92	127 Å²	127	76%	0.76	71%	0.711	S	S	*	*			trans	60.1	97.3	140.6	0	0	0	0	0	120.9
244	A	33.5	Very low	35.9	Very low	81 Å²	81	123.3 Å²	123.3	67%	0.669	70%	0.696	S	S	*	*			trans	-160.4	61	144.1	0	0	0	0	0	112.4	S246	A244-S246 PolarHBondContact O-N 3.49Å
245	S	47.5	Very low	36.3	Very low	121 Å²	121	120.9 Å²	120.9	85%	0.846	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	125.4	168.9	-59.2	0	0	0	0	110
246	S	40.2	Very low	36.9	Very low	115 Å²	115	119.6 Å²	119.6	80%	0.804	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	119.7	-20	174.9	-54	0	0	0	0	115.4	A244	A244-S246 PolarHBondContact O-N 3.49Å
247	G	39.5	Very low	37.2	Very low	39 Å²	39	116.3 Å²	116.3	40%	0.402	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-40.1	-175.4	0	0	0	0	0	116.3	L249	G247-L249 PolarHBondContact O-N 2.9Å
248	L	43.1	Very low	37.6	Very low	129 Å²	129	114.1 Å²	114.1	68%	0.675	67%	0.673	S	S	*	*	H	α-helix	trans	-71.1	-29.5	-166.6	-102.8	71.6	0	0	0	115.1	F251 N252	L248-F251 PolarHBondContact O-N 3.07Å; L248-N252 PolarHBondContact O-N 2.81Å; L248-N252 VanDerWaalsContact O-N 3.07Å
249	L	42.5	Very low	37.5	Very low	140 Å²	140	114.1 Å²	114.1	73%	0.733	67%	0.665	S	S	*	*	H	α-helix	trans	-69.7	-40.7	-177.2	-75.2	170	0	0	0	112.2	G247 V253	G247-L249 PolarHBondContact O-N 2.9Å; L249-V253 VanDerWaalsContact O-CG2 3.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.31Å; L249-V253 PolarHBondContact O-N 2.86Å
250	L	39.3	Very low	38	Very low	125 Å²	125	110.6 Å²	110.6	65%	0.654	66%	0.655	S	S	*	*	H	α-helix	trans	-70.5	-31.8	175.3	-82.8	98.9	0	0	0	112.6	T254	L250-T254 VanDerWaalsContact O-CB 3.24Å; L250-T254 WeakPolarHBondContact O-CB 3.27Å; L250-T254 PolarHBondContact O-N 3.06Å; L250-T254 PolarHBondContact O-OG1 3.3Å
251	F	38.2	Very low	38.3	Very low	164 Å²	164	113.7 Å²	113.7	72%	0.719	66%	0.658	S	S	*	*	H	α-helix	trans	-66.1	-45.9	174.2	-101.1	-89.5	0	0	0	112	L248 T254 F255	L248-F251 PolarHBondContact O-N 3.07Å; F251-T254 PolarHBondContact O-N 2.79Å; F251-F255 VanDerWaalsContact O-CB 3.31Å; F251-F255 WeakPolarHBondContact O-CB 3.5Å; F251-F255 PolarHBondContact O-N 3.33Å
252	N	41	Very low	38.7	Very low	97 Å²	97	113.6 Å²	113.6	52%	0.519	65%	0.649	S	S	.	*	H	α-helix	trans	-67.8	-38.6	177.4	-81.6	-27.3	0	0	0	113.1	L248 F255 L256	L248-N252 PolarHBondContact O-N 2.81Å; L248-N252 VanDerWaalsContact O-N 3.07Å; N252-F255 PolarHBondContact O-N 3.36Å; N252-L256 WeakPolarHBondContact O-CB 3.17Å; N252-L256 VanDerWaalsContact O-CG 3.27Å; N252-L256 WeakPolarHBondContact O-CG 3.2Å; N252-L256 PolarHBondContact O-N 2.93Å
253	V	42.6	Very low	39.1	Very low	79 Å²	79	117.1 Å²	117.1	48%	0.479	65%	0.65	S	S	.	*	H	α-helix	trans	-64.2	-43.3	173.2	173.4	0	0	0	0	110.6	L249 L256 F257	L249-V253 VanDerWaalsContact O-CG2 3.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.31Å; L249-V253 PolarHBondContact O-N 2.86Å; V253-L256 PolarHBondContact O-N 2.59Å; V253-F257 HydrophobicContact CG1-CD2 3.78Å; V253-F257 HydrophobicContact CG1-CE2 4.06Å; V253-F257 WeakPolarHBondContact O-CB 3.33Å; V253-F257 WeakPolarHBondContact O-CD2 3.41Å; V253-F257 PolarHBondContact O-N 2.74Å
254	T	37.9	Very low	39.2	Very low	89 Å²	89	120.2 Å²	120.2	55%	0.546	65%	0.648	S	S	.	*	H	α-helix	trans	-69.1	-35	179.1	-52.1	0	0	0	0	112.1	L250 F251 F257 S258	L250-T254 VanDerWaalsContact O-CB 3.24Å; L250-T254 WeakPolarHBondContact O-CB 3.27Å; L250-T254 PolarHBondContact O-N 3.06Å; L250-T254 PolarHBondContact O-OG1 3.3Å; F251-T254 PolarHBondContact O-N 2.79Å; T254-F257 PolarHBondContact O-N 2.95Å; T254-S258 WeakPolarHBondContact O-CB 3.41Å; T254-S258 PolarHBondContact O-N 2.99Å
255	F	40.7	Very low	39.4	Very low	142 Å²	142	125.8 Å²	125.8	62%	0.623	66%	0.658	S	S	*	*	H	α-helix	trans	-69.6	-40.9	176.2	-158.1	-102.4	0	0	0	111.8	F251 N252 S258 Q259	F251-F255 VanDerWaalsContact O-CB 3.31Å; F251-F255 WeakPolarHBondContact O-CB 3.5Å; F251-F255 PolarHBondContact O-N 3.33Å; N252-F255 PolarHBondContact O-N 3.36Å; F255-S258 PolarHBondContact O-N 3.01Å; F255-Q259 WeakPolarHBondContact O-CG 3.3Å; F255-Q259 PolarHBondContact O-N 3.05Å
256	L	39.8	Very low	39.3	Very low	125 Å²	125	127.3 Å²	127.3	65%	0.654	65%	0.651	S	S	*	*	H	α-helix	trans	-66.3	-39.2	173.2	-70.9	168.5	0	0	0	112.4	N252 V253 A260	N252-L256 WeakPolarHBondContact O-CB 3.17Å; N252-L256 VanDerWaalsContact O-CG 3.27Å; N252-L256 WeakPolarHBondContact O-CG 3.2Å; N252-L256 PolarHBondContact O-N 2.93Å; V253-L256 PolarHBondContact O-N 2.59Å; L256-A260 PolarHBondContact O-N 2.6Å
257	F	35.5	Very low	39.8	Very low	148 Å²	148	129.8 Å²	129.8	65%	0.649	65%	0.65	S	S	*	*	H	α-helix	trans	-74.7	-22.7	173.7	-88.8	-81.6	0	0	0	114	V253 T254 A260 K261	V253-F257 HydrophobicContact CG1-CD2 3.78Å; V253-F257 HydrophobicContact CG1-CE2 4.06Å; V253-F257 WeakPolarHBondContact O-CB 3.33Å; V253-F257 WeakPolarHBondContact O-CD2 3.41Å; V253-F257 PolarHBondContact O-N 2.74Å; T254-F257 PolarHBondContact O-N 2.95Å; F257-A260 PolarHBondContact O-N 3.17Å; F257-K261 PolarHBondContact O-N 3.37Å
258	S	34.8	Very low	41.4	Very low	72 Å²	72	133.8 Å²	133.8	50%	0.503	66%	0.658	S	S	.	*	H	α-helix	trans	-73.4	-41.7	171.2	-167.6	0	0	0	0	111.1	T254 F255 A260 K261 Q262	T254-S258 WeakPolarHBondContact O-CB 3.41Å; T254-S258 PolarHBondContact O-N 2.99Å; F255-S258 PolarHBondContact O-N 3.01Å; S258-A260 VanDerWaalsContact C-N 3.25Å; S258-A260 PolarHBondContact O-N 3.29Å; S258-K261 CarbonylContact O-C 3.52Å; S258-K261 WeakPolarHBondContact O-CA 3.41Å; S258-K261 PolarHBondContact O-N 3.38Å; S258-Q262 PolarHBondContact O-N 3.31Å
259	Q	34.3	Very low	43.3	Very low	117 Å²	117	131.4 Å²	131.4	55%	0.547	65%	0.649	S	S	.	*	H	α-helix	trans	-63.5	-30.3	170.3	-70.2	-71.6	75.3	0	0	112.2	F255 K261 Q262	F255-Q259 WeakPolarHBondContact O-CG 3.3Å; F255-Q259 PolarHBondContact O-N 3.05Å; Q259-K261 PolarHBondContact O-N 2.95Å; Q259-Q262 PolarHBondContact O-N 3.04Å
260	A	39	Very low	45.8	Very low	70 Å²	70	127.5 Å²	127.5	58%	0.579	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-8.2	168.9	0	0	0	0	0	114.5	L256 F257 S258	L256-A260 PolarHBondContact O-N 2.6Å; F257-A260 PolarHBondContact O-N 3.17Å; S258-A260 VanDerWaalsContact C-N 3.25Å; S258-A260 PolarHBondContact O-N 3.29Å
261	K	36.6	Very low	48.5	Very low	186 Å²	186	122.4 Å²	122.4	81%	0.809	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-2.1	174.9	-90.8	-175.3	177	176.8	0	115.1	F257 S258 Q259 K263	F257-K261 PolarHBondContact O-N 3.37Å; S258-K261 CarbonylContact O-C 3.52Å; S258-K261 WeakPolarHBondContact O-CA 3.41Å; S258-K261 PolarHBondContact O-N 3.38Å; Q259-K261 PolarHBondContact O-N 2.95Å; K261-K263 PolarHBondContact O-N 3.23Å; K261-K263 VanDerWaalsContact O-N 3.11Å
262	Q	38.3	Very low	51.3	Low	143 Å²	143	115.5 Å²	115.5	67%	0.668	58%	0.576	S	S	*	*			trans	-81	62.5	145.5	-72	-158.7	1.1	0	0	110	S258 Q259 Q264	S258-Q262 PolarHBondContact O-N 3.31Å; Q259-Q262 PolarHBondContact O-N 3.04Å; Q262-Q264 PolarHBondContact O-N 3.31Å
263	K	40.3	Very low	54	Low	185 Å²	185	111.8 Å²	111.8	80%	0.804	56%	0.556	S	S	*	*			trans	-65.8	82.9	149.1	-169.2	174.4	-172	176.3	0	105.8	K261 K265	K261-K263 PolarHBondContact O-N 3.23Å; K261-K263 VanDerWaalsContact O-N 3.11Å; K263-K265 PolarHBondContact O-N 3.21Å
264	Q	38.6	Very low	56.6	Low	157 Å²	157	111.9 Å²	111.9	73%	0.734	56%	0.556	S	S	*	*			trans	-42.4	121.2	150.9	-75.5	-175	-6.9	0	0	104.5	Q262 Q266	Q262-Q264 PolarHBondContact O-N 3.31Å; Q264-Q266 PolarHBondContact O-N 3.36Å
265	K	37.8	Very low	59.5	Low	199 Å²	199	107.8 Å²	107.8	87%	0.865	53%	0.531	S	S	*	.			trans	-63.7	86.6	154.4	-79.9	176.8	174.4	178.1	0	103.4	K263 E267	K263-K265 PolarHBondContact O-N 3.21Å; K265-E267 PolarHBondContact O-N 3.44Å
266	Q	45.1	Very low	62.2	Low	152 Å²	152	101.2 Å²	101.2	71%	0.71	50%	0.503	S	S	*	.			trans	-53.9	102.8	159.6	-170.8	175.1	18.1	0	0	102.6	Q264 H268	Q264-Q266 PolarHBondContact O-N 3.36Å; Q266-H268 PolarHBondContact O-N 2.97Å; Q266-H268 VanDerWaalsContact O-N 3.09Å
267	E	50	Low	65	Low	168 Å²	168	95.8 Å²	95.8	79%	0.785	48%	0.475	S	S	*	.			trans	-55.4	123.1	-173.1	-170.2	171.8	174.5	0	0	105.2	K265 V269	K265-E267 PolarHBondContact O-N 3.44Å; E267-V269 WeakPolarHBondContact O-CG2 3.4Å; E267-V269 PolarHBondContact O-N 2.98Å
268	H	73.8	Confident	68	Low	123 Å²	123	88.8 Å²	88.8	57%	0.569	44%	0.444	S	S	*	.			trans	-71.7	87.1	-174.1	-175.2	-106.5	0	0	0	107.2	E181 Q266 P270	E181-H268 IonicContact OE2-CD2 2.72Å; E181-H268 IonicContact OE2-CE1 2.64Å; E181-H268 IonicContact OE2-NE2 3.47Å; E181-H268 PolarHBondContact OE2-NE2 2.9Å; Q266-H268 PolarHBondContact O-N 2.97Å; Q266-H268 VanDerWaalsContact O-N 3.09Å; H268-P270 WeakPolarHBondContact O-CD 3.32Å
269	V	83.9	Confident	71	Confident	78 Å²	78	86.7 Å²	86.7	47%	0.473	43%	0.425	S	S	.	.			trans	-70.6	118.3	179	-178.1	0	0	0	0	106.2	N123 E267	N123-V269 HydrophobicContact CB-CG1 3.68Å; E267-V269 WeakPolarHBondContact O-CG2 3.4Å; E267-V269 PolarHBondContact O-N 2.98Å
270	P	93.3	Very high	74.1	Confident	59 Å²	59	81.1 Å²	81.1	38%	0.383	40%	0.399	S	S	.	.			trans	-60.9	135.7	176.2	26.1	-33.6	0	0	0	108.5	N123 H268 Y272	N123-P270 WeakPolarHBondContact CB-O 3.09Å; N123-P270 PolarHBondContact ND2-O 3.15Å; H268-P270 WeakPolarHBondContact O-CD 3.32Å; P270-Y272 PolarHBondContact O-N 3.46Å
271	P	96.2	Very high	76.9	Confident	18 Å²	18	77.9 Å²	77.9	12%	0.117	37%	0.372	C	S	.	.	S	Bend	trans	-63.3	-19.2	-173.4	24.4	-34.1	0	0	0	113.1	T122 N123 V124 P177 L180	T122-P271 CarbonylContact C-O 3.56Å; T122-P271 WeakPolarHBondContact CA-O 3.31Å; N123-P271 PolarHBondContact N-O 3.32Å; V124-P271 HydrophobicContact CG2-CB 3.73Å; P177-P271 HydrophobicContact CB-CG 4.01Å; P177-P271 HydrophobicContact CG-CG 4.44Å; L180-P271 HydrophobicContact CD1-CB 3.52Å; L180-P271 HydrophobicContact CD1-CG 3.97Å
272	Y	98	Very high	79.9	Confident	19 Å²	19	69 Å²	69	8%	0.075	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.3	-179.7	-57.8	-48	0	0	0	110.7	V120 K121 T122 F143 L149 W160 P175 P177 L180 P270	V120-Y272 HydrophobicContact CB-CD1 4.37Å; V120-Y272 HydrophobicContact CB-CG 4.26Å; V120-Y272 HydrophobicContact CG1-CG 4.47Å; V120-Y272 HydrophobicContact CG2-CD1 3.89Å; V120-Y272 HydrophobicContact CG2-CE1 4.47Å; V120-Y272 HydrophobicContact CG2-CG 4.07Å; K121-Y272 WeakPolarHBondContact O-CA 3.23Å; T122-Y272 HydrophobicContact CG2-CD1 4.14Å; T122-Y272 HydrophobicContact CG2-CE1 4Å; F143-Y272 HydrophobicContact CE1-CE1 4.39Å; F143-Y272 HydrophobicContact CE2-CE1 4.28Å; F143-Y272 AromaticContact CZ-CE1 3.81Å; F143-Y272 HydrophobicContact CZ-CE1 3.81Å; F143-Y272 WeakPolarHBondContact CZ-OH 3.48Å; L149-Y272 HydrophobicContact CD1-CE1 3.95Å; W160-Y272 HydrophobicContact CH2-CD2 4.17Å; W160-Y272 HydrophobicContact CH2-CE2 4.49Å; W160-Y272 AromaticContact CZ3-CD2 3.82Å; W160-Y272 HydrophobicContact CZ3-CD2 3.82Å; W160-Y272 AromaticContact CZ3-CE2 3.93Å; W160-Y272 HydrophobicContact CZ3-CE2 3.93Å; P175-Y272 WeakPolarHBondContact O-CE2 3.4Å; P175-Y272 PolarHBondContact O-OH 3.07Å; P177-Y272 HydrophobicContact CG-CD2 3.93Å; P177-Y272 HydrophobicContact CG-CE2 4.29Å; L180-Y272 HydrophobicContact CD1-CE1 4.45Å; L180-Y272 HydrophobicContact CD1-CE2 4.1Å; P270-Y272 PolarHBondContact O-N 3.46Å
273	D	96.8	Very high	82.8	Confident	19 Å²	19	62.3 Å²	62.3	10%	0.102	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.4	158.7	-71.4	-61.4	0	0	0	108.4	V120 K121 N123 R327	V120-D273 CarbonylContact C-O 3.57Å; V120-D273 WeakPolarHBondContact CA-O 3.2Å; K121-D273 WeakPolarHBondContact CE-OD2 3.34Å; K121-D273 PolarHBondContact N-O 2.91Å; K121-D273 IonicContact NZ-OD2 3.22Å; K121-D273 PolarHBondContact NZ-OD2 2.83Å; K121-D273 PolarHBondContact O-N 2.68Å; N123-D273 PolarHBondContact ND2-OD2 3.35Å; N123-D273 PolarHBondContact OD1-OD2 3.19Å; D273-R327 IonicContact OD1-CZ 3.17Å; D273-R327 IonicContact OD1-NH1 3.96Å; D273-R327 PolarHBondContact OD1-NH1 3.04Å; D273-R327 IonicContact OD2-NH1 2.94Å; D273-R327 PolarHBondContact OD2-NH1 3.1Å
274	V	97.8	Very high	85.6	Confident	80 Å²	80	53.5 Å²	53.5	49%	0.485	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132	172.9	178.9	0	0	0	0	109.6	V120 F356	V120-V274 HydrophobicContact CG1-CG2 4.34Å; V274-F356 HydrophobicContact CG1-CE1 4.24Å
275	V	98.4	Very high	88.4	Confident	4 Å²	4	46 Å²	46	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.1	-173.9	-58.1	0	0	0	0	111.2	A119 K121 F148 S382 A384	A119-V275 HydrophobicContact CB-CG2 4.02Å; A119-V275 PolarHBondContact O-N 3.42Å; K121-V275 HydrophobicContact CB-CG1 3.79Å; K121-V275 HydrophobicContact CB-CG2 4.4Å; F148-V275 HydrophobicContact CD1-CG2 4.1Å; F148-V275 HydrophobicContact CE1-CG2 4.27Å; V275-S382 WeakPolarHBondContact CA-O 3.46Å; V275-S382 WeakPolarHBondContact CG1-O 3.47Å; V275-A384 HydrophobicContact CB-CB 4.17Å; V275-A384 HydrophobicContact CG1-CB 3.7Å
276	P	98.5	Very high	91.2	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	19%	0.189	C	C	.	.			trans	-56.8	141	172.7	-25.4	35.8	0	0	0	111.9	M278 F356 A359 S382 L383	P276-M278 WeakPolarHBondContact CB-O 3.43Å; P276-M278 PolarHBondContact O-N 3.43Å; P276-F356 VanDerWaalsContact CD-CZ 3.49Å; P276-F356 HydrophobicContact CG-CD1 4.37Å; P276-F356 HydrophobicContact CG-CD2 3.86Å; P276-F356 HydrophobicContact CG-CE1 4.24Å; P276-F356 HydrophobicContact CG-CE2 3.72Å; P276-F356 HydrophobicContact CG-CG 4.2Å; P276-F356 HydrophobicContact CG-CZ 3.93Å; P276-A359 HydrophobicContact CB-CB 3.61Å; P276-S382 WeakPolarHBondContact CD-O 3.34Å; P276-L383 WeakPolarHBondContact CD-O 3.17Å; P276-L383 HydrophobicContact CG-CD2 4.28Å
277	S	98.1	Very high	93.8	Very high	11 Å²	11	29.5 Å²	29.5	8%	0.077	16%	0.156	C	C	.	.	S	Bend	trans	-63.1	-26.9	-178.6	-56.1	0	0	0	0	113.6	H150	H150-S277 PolarHBondContact NE2-O 3.34Å
278	M	98.5	Very high	96.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-116.8	121.8	164	-68	-68.1	-75.1	0	0	108.2	P276 A359 L362 Q363 L364 Y454 W455 T458	P276-M278 WeakPolarHBondContact CB-O 3.43Å; P276-M278 PolarHBondContact O-N 3.43Å; M278-A359 HydrophobicContact CB-CB 4.22Å; M278-L362 WeakPolarHBondContact CE-O 3.24Å; M278-L362 VanDerWaalsContact CG-CA 3.46Å; M278-L362 HydrophobicContact CG-CB 4.24Å; M278-L362 HydrophobicContact CG-CD2 4.02Å; M278-L362 HydrophobicContact SD-CB 4.35Å; M278-L362 HydrophobicContact SD-CD2 4.25Å; M278-Q363 WeakPolarHBondContact CB-O 3.37Å; M278-Q363 WeakPolarHBondContact CG-O 3.42Å; M278-L364 HydrophobicContact CE-CD2 3.85Å; M278-L364 HydrophobicContact CE-CG 4.5Å; M278-Y454 HydrophobicContact CE-CD1 4.28Å; M278-Y454 HydrophobicContact CE-CE1 3.71Å; M278-Y454 HydrophobicContact SD-CE1 4.23Å; M278-W455 HydrophobicContact CE-CE3 4.33Å; M278-T458 HydrophobicContact CE-CG2 4.29Å; M278-T458 VanDerWaalsContact SD-CB 3.55Å; M278-T458 HydrophobicContact SD-CG2 3.51Å; M278-T458 VanDerWaalsContact SD-CG2 3.51Å; M278-T458 PolarHBondContact SD-OG1 3.36Å; M278-T458 VanDerWaalsContact SD-OG1 3.42Å
279	R	98.6	Very high	97.2	Very high	28 Å²	28	18.4 Å²	18.4	11%	0.106	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-61.4	124.9	177.3	-65.2	174.4	66	-161.8	0.3	108.7	F148 A384 P385 I386 D432 Y454	F148-R279 HydrophobicContact CD1-CG 4.2Å; F148-R279 HydrophobicContact CE1-CG 3.88Å; F148-R279 HydrophobicContact CZ-CG 4.25Å; F148-R279 VanDerWaalsContact CZ-NE 3.34Å; R279-A384 WeakPolarHBondContact CG-O 3.34Å; R279-A384 PolarHBondContact NE-O 2.83Å; R279-P385 PolarHBondContact NH2-O 3.42Å; R279-I386 HydrophobicContact CB-CD1 4.01Å; R279-I386 HydrophobicContact CB-CG1 3.79Å; R279-D432 IonicContact CZ-OD1 2.68Å; R279-D432 IonicContact CZ-OD2 2.7Å; R279-D432 IonicContact NH1-OD1 3.97Å; R279-D432 PolarHBondContact NH1-OD1 3.45Å; R279-D432 IonicContact NH2-OD1 3.94Å; R279-D432 PolarHBondContact NH2-OD1 3.08Å; R279-D432 IonicContact NH2-OD2 3.71Å; R279-D432 PolarHBondContact NH2-OD2 2.95Å; R279-Y454 PolarHBondContact N-OH 3.46Å
280	P	98.7	Very high	97.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-70	132.4	178.4	25.8	-31.6	0	0	0	110.9	I355 V365 L367 L383 P385 I386	P280-I355 HydrophobicContact CB-CG2 4.14Å; P280-I355 HydrophobicContact CG-CG2 4.08Å; P280-V365 CarbonylContact C-O 3.54Å; P280-V365 WeakPolarHBondContact CA-O 3.41Å; P280-V365 HydrophobicContact CB-CB 4.43Å; P280-V365 HydrophobicContact CB-CG1 4.21Å; P280-L367 HydrophobicContact CB-CD1 3.69Å; P280-L367 HydrophobicContact CB-CD2 4.37Å; P280-L367 HydrophobicContact CB-CG 3.83Å; P280-L367 HydrophobicContact CG-CD1 4.21Å; P280-L383 VanDerWaalsContact CD-O 3.31Å; P280-L383 WeakPolarHBondContact CD-O 3.32Å; P280-L383 HydrophobicContact CG-CB 4.24Å; P280-P385 HydrophobicContact CG-CB 4.23Å; P280-P385 CarbonylContact O-C 3.54Å; P280-P385 WeakPolarHBondContact O-CA 3.41Å; P280-P385 WeakPolarHBondContact O-CB 3.32Å; P280-I386 PolarHBondContact O-N 3.37Å
281	V	98.9	Very high	98.1	Very high	2 Å²	2	17 Å²	17	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.7	175.4	-171.7	0	0	0	0	109.8	V365 V366 L367 I386 V388 L451	V281-V365 PolarHBondContact N-O 3.09Å; V281-V366 HydrophobicContact CB-CB 4.44Å; V281-V366 HydrophobicContact CB-CG1 4.35Å; V281-V366 HydrophobicContact CB-CG2 3.99Å; V281-V366 HydrophobicContact CG2-CG2 4.09Å; V281-L367 PolarHBondContact O-N 3.35Å; V281-I386 WeakPolarHBondContact CA-O 3.4Å; V281-I386 HydrophobicContact CG1-CG2 4.43Å; V281-I386 HydrophobicContact CG2-CB 4.32Å; V281-I386 HydrophobicContact CG2-CD1 4.32Å; V281-V388 HydrophobicContact CG1-CG2 3.66Å; V281-L451 HydrophobicContact CG2-CD2 3.77Å
282	V	98.8	Very high	98.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.9	178.9	-177.1	0	0	0	0	110	L367 I372 L378 P385 I386 I387 V388	V282-L367 HydrophobicContact CG2-CB 4.28Å; V282-L367 HydrophobicContact CG2-CD1 4.15Å; V282-L367 HydrophobicContact CG2-CG 4.49Å; V282-I372 HydrophobicContact CG1-CB 4.4Å; V282-I372 HydrophobicContact CG1-CG2 4.02Å; V282-L378 HydrophobicContact CB-CD1 4.44Å; V282-L378 HydrophobicContact CG1-CD1 4.17Å; V282-L378 HydrophobicContact CG2-CD1 3.94Å; V282-P385 HydrophobicContact CB-CB 4.44Å; V282-P385 HydrophobicContact CG2-CB 3.73Å; V282-I386 PolarHBondContact N-O 3.2Å; V282-I387 HydrophobicContact CB-CD1 4.26Å; V282-V388 PolarHBondContact O-N 2.96Å
283	L	98.8	Very high	98.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128	174.8	-76.5	162.1	0	0	0	111.5	K289 Q298 L301 F302 V388 V390	L283-K289 WeakPolarHBondContact O-CE 3.34Å; L283-K289 PolarHBondContact O-NZ 3.22Å; L283-K289 VanDerWaalsContact O-NZ 3.14Å; L283-Q298 HydrophobicContact CB-CG 4.26Å; L283-Q298 PolarHBondContact O-NE2 2.72Å; L283-L301 HydrophobicContact CD1-CB 4.09Å; L283-L301 HydrophobicContact CD1-CD1 4.34Å; L283-L301 HydrophobicContact CD2-CD1 3.82Å; L283-F302 HydrophobicContact CB-CZ 4.44Å; L283-F302 HydrophobicContact CD1-CD1 4.09Å; L283-F302 HydrophobicContact CD1-CD2 4.46Å; L283-F302 HydrophobicContact CD1-CE1 3.71Å; L283-F302 HydrophobicContact CD1-CE2 4.13Å; L283-F302 HydrophobicContact CD1-CG 4.44Å; L283-F302 HydrophobicContact CD1-CZ 3.74Å; L283-V388 WeakPolarHBondContact CA-O 3.31Å; L283-V388 HydrophobicContact CD2-CB 3.72Å; L283-V388 HydrophobicContact CD2-CG1 3.51Å; L283-V388 HydrophobicContact CG-CB 4.43Å; L283-V390 HydrophobicContact CD2-CG2 3.68Å
284	V	98.6	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.5	171.7	-62.6	0	0	0	0	110.9	I372 I387 V388 Y389 V390 L423 F431	V284-I372 HydrophobicContact CG1-CG2 4.13Å; V284-I387 HydrophobicContact CG2-CG2 3.7Å; V284-V388 PolarHBondContact N-O 3.05Å; V284-Y389 HydrophobicContact CG2-CD2 4.5Å; V284-Y389 WeakPolarHBondContact O-CA 3.3Å; V284-V390 PolarHBondContact O-N 3.35Å; V284-L423 HydrophobicContact CG2-CD2 4.32Å; V284-F431 HydrophobicContact CG2-CE1 4.17Å
285	G	97.8	Very high	98.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	10%	0.098	C	C	.	.			trans	76.2	175.9	-177.4	0	0	0	0	0	114.1	S287 T294 Q298 V390	G285-S287 VanDerWaalsContact C-N 3.32Å; G285-T294 WeakPolarHBondContact O-CG2 3.32Å; G285-Q298 PolarHBondContact O-NE2 3.49Å; G285-V390 CarbonylContact C-O 3.48Å
286	P	97.9	Very high	98.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.013	12%	0.122	C	C	.	.	S	Bend	cis	-78	-9.5	5.9	32.3	-37.4	0	0	0	114.8	M297 V390 V392 A420	P286-M297 HydrophobicContact CG-CE 4.09Å; P286-M297 HydrophobicContact CG-SD 3.79Å; P286-V390 WeakPolarHBondContact CA-O 3.42Å; P286-V390 WeakPolarHBondContact CB-O 3.48Å; P286-V392 HydrophobicContact CB-CB 4.11Å; P286-V392 HydrophobicContact CB-CG2 3.61Å; P286-V392 HydrophobicContact CG-CG2 3.95Å; P286-A420 WeakPolarHBondContact O-CB 3.46Å
287	S	98.4	Very high	98.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	14%	0.136	C	C	.	.	S	Bend	trans	-142.2	-155.3	173.9	-169.7	0	0	0	0	109.7	G285 Q416	G285-S287 VanDerWaalsContact C-N 3.32Å; S287-Q416 WeakPolarHBondContact OG-CA 3.48Å; S287-Q416 WeakPolarHBondContact OG-CB 3.42Å; S287-Q416 PolarHBondContact OG-O 3.17Å
288	L	97.9	Very high	98.3	Very high	40 Å²	40	24.1 Å²	24.1	21%	0.209	13%	0.133	C	C	.	.			trans	-68.3	140.8	172.1	-65.7	178.3	0	0	0	111.4	Y291 T294 N373 V415 A419	L288-Y291 HydrophobicContact CB-CD2 3.64Å; L288-Y291 HydrophobicContact CB-CE2 3.68Å; L288-Y291 HydrophobicContact CD1-CE2 3.86Å; L288-Y291 HydrophobicContact CG-CE2 4.41Å; L288-T294 WeakPolarHBondContact O-CB 3.17Å; L288-T294 PolarHBondContact O-OG1 3.01Å; L288-N373 VanDerWaalsContact CA-OD1 3.28Å; L288-N373 WeakPolarHBondContact CA-OD1 3.47Å; L288-N373 HydrophobicContact CD2-CB 4.05Å; L288-V415 HydrophobicContact CD1-CG2 3.83Å; L288-A419 HydrophobicContact CD1-CB 4.21Å; L288-A419 HydrophobicContact CD2-CB 3.47Å; L288-A419 VanDerWaalsContact CD2-CB 3.47Å; L288-A419 HydrophobicContact CG-CB 3.41Å; L288-A419 VanDerWaalsContact CG-CB 3.41Å
289	K	98.1	Very high	98.3	Very high	19 Å²	19	29.6 Å²	29.6	8%	0.083	16%	0.157	C	C	.	.	S	Bend	trans	-66.9	162.1	162.9	-60.1	-169.2	-179.4	-158.2	0	111.4	L283 Y291 T294 D295 A369 I372 N373	L283-K289 WeakPolarHBondContact O-CE 3.34Å; L283-K289 PolarHBondContact O-NZ 3.22Å; L283-K289 VanDerWaalsContact O-NZ 3.14Å; K289-Y291 VanDerWaalsContact C-N 3.29Å; K289-T294 HydrophobicContact CG-CG2 4.08Å; K289-D295 WeakPolarHBondContact CA-OD1 3.28Å; K289-A369 WeakPolarHBondContact CD-O 3.22Å; K289-A369 WeakPolarHBondContact CE-O 3.42Å; K289-A369 PolarHBondContact NZ-O 3.22Å; K289-I372 VanDerWaalsContact CE-O 3.25Å; K289-I372 WeakPolarHBondContact CE-O 3.39Å; K289-N373 PolarHBondContact N-OD1 3.36Å
290	G	97.3	Very high	98.3	Very high	63 Å²	63	29.7 Å²	29.7	65%	0.649	16%	0.163	S	C	*	.	S	Bend	trans	78.4	15.8	-172.8	0	0	0	0	0	113.1	D295	G290-D295 VanDerWaalsContact C-OD2 3.25Å; G290-D295 WeakPolarHBondContact CA-OD2 3.47Å; G290-D295 PolarHBondContact N-OD1 3.25Å; G290-D295 PolarHBondContact N-OD2 2.9Å
291	Y	98.4	Very high	98.3	Very high	43 Å²	43	29.9 Å²	29.9	17%	0.169	17%	0.165	C	C	.	.	S	Bend	trans	-132.6	138.4	175.4	-64.2	-79.3	0	0	0	109.6	L288 K289 V293 T294 D295 H412 Q416	L288-Y291 HydrophobicContact CB-CD2 3.64Å; L288-Y291 HydrophobicContact CB-CE2 3.68Å; L288-Y291 HydrophobicContact CD1-CE2 3.86Å; L288-Y291 HydrophobicContact CG-CE2 4.41Å; K289-Y291 VanDerWaalsContact C-N 3.29Å; Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 2.85Å; Y291-T294 PolarHBondContact O-N 2.9Å; Y291-T294 VanDerWaalsContact O-N 3.1Å; Y291-D295 PolarHBondContact N-OD2 2.8Å; Y291-D295 VanDerWaalsContact O-CG 3.27Å; Y291-D295 PolarHBondContact O-N 3.41Å; Y291-H412 HydrophobicContact CD1-CB 4.21Å; Y291-H412 HydrophobicContact CE1-CB 3.46Å; Y291-H412 VanDerWaalsContact CE1-CB 3.46Å; Y291-H412 AromaticContact CE1-CD2 3.81Å; Y291-H412 AromaticContact CE1-CG 3.56Å; Y291-Q416 HydrophobicContact CD1-CG 4.24Å; Y291-Q416 HydrophobicContact CD2-CG 3.94Å; Y291-Q416 HydrophobicContact CE1-CG 4.49Å; Y291-Q416 HydrophobicContact CE2-CG 4.21Å; Y291-Q416 HydrophobicContact CG-CG 3.93Å
292	E	98.4	Very high	98.3	Very high	57 Å²	57	30.7 Å²	30.7	27%	0.266	17%	0.168	S	C	.	.	H	α-helix	trans	-53.3	-35.7	-167.9	-71	168	-127.9	0	0	114.5	M296 R405 Q409	E292-M296 WeakPolarHBondContact O-CB 3.45Å; E292-M296 WeakPolarHBondContact O-CG 3.34Å; E292-M296 PolarHBondContact O-N 3.47Å; E292-R405 HydrophobicContact CB-CG 4.26Å; E292-R405 IonicContact OE2-CZ 2.85Å; E292-R405 IonicContact OE2-NE 3.18Å; E292-R405 PolarHBondContact OE2-NE 3.3Å; E292-R405 IonicContact OE2-NH2 3.2Å; E292-R405 PolarHBondContact OE2-NH2 3.42Å; E292-Q409 HydrophobicContact CB-CG 4.26Å; E292-Q409 HydrophobicContact CG-CG 4.28Å; E292-Q409 WeakPolarHBondContact OE1-CG 3.11Å; E292-Q409 PolarHBondContact OE1-NE2 3.1Å
293	V	98.3	Very high	98.3	Very high	10 Å²	10	34 Å²	34	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-51.4	-179.7	179.6	0	0	0	0	111	Y291 M297 L398 L401 V402 R405	Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 2.85Å; V293-M297 HydrophobicContact CG1-SD 4.03Å; V293-M297 WeakPolarHBondContact O-CB 3.49Å; V293-M297 VanDerWaalsContact O-CG 3.22Å; V293-M297 WeakPolarHBondContact O-CG 3.45Å; V293-M297 PolarHBondContact O-N 3.06Å; V293-L398 HydrophobicContact CG1-CD1 4.07Å; V293-L401 HydrophobicContact CG1-CB 4.12Å; V293-L401 HydrophobicContact CG1-CD1 4.49Å; V293-L401 HydrophobicContact CG2-CB 4.31Å; V293-V402 HydrophobicContact CG2-CG2 3.97Å; V293-R405 HydrophobicContact CG2-CG 3.78Å
294	T	98.4	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-49.1	179.5	-52.6	0	0	0	0	110.8	G285 L288 K289 Y291 M296 M297 Q298	G285-T294 WeakPolarHBondContact O-CG2 3.32Å; L288-T294 WeakPolarHBondContact O-CB 3.17Å; L288-T294 PolarHBondContact O-OG1 3.01Å; K289-T294 HydrophobicContact CG-CG2 4.08Å; Y291-T294 PolarHBondContact O-N 2.9Å; Y291-T294 VanDerWaalsContact O-N 3.1Å; T294-M296 PolarHBondContact O-N 3.22Å; T294-M297 PolarHBondContact O-N 2.82Å; T294-Q298 HydrophobicContact CG2-CG 4.42Å; T294-Q298 WeakPolarHBondContact O-CG 3.44Å; T294-Q298 PolarHBondContact O-N 3.23Å
295	D	98.4	Very high	98.3	Very high	64 Å²	64	36.4 Å²	36.4	34%	0.342	20%	0.196	S	C	.	.	H	α-helix	trans	-67.1	-40	-172	-57.9	-12.2	0	0	0	111.1	K289 G290 Y291 K299	K289-D295 WeakPolarHBondContact CA-OD1 3.28Å; G290-D295 VanDerWaalsContact C-OD2 3.25Å; G290-D295 WeakPolarHBondContact CA-OD2 3.47Å; G290-D295 PolarHBondContact N-OD1 3.25Å; G290-D295 PolarHBondContact N-OD2 2.9Å; Y291-D295 PolarHBondContact N-OD2 2.8Å; Y291-D295 VanDerWaalsContact O-CG 3.27Å; Y291-D295 PolarHBondContact O-N 3.41Å; D295-K299 WeakPolarHBondContact O-CB 3.47Å; D295-K299 PolarHBondContact O-N 3.43Å
296	M	97.9	Very high	98.3	Very high	104 Å²	104	42.3 Å²	42.3	51%	0.512	22%	0.222	S	C	.	.	H	α-helix	trans	-69.1	-38.4	176.2	-69.1	-178.6	67	0	0	112.6	E292 T294 A300 R405	E292-M296 WeakPolarHBondContact O-CB 3.45Å; E292-M296 WeakPolarHBondContact O-CG 3.34Å; E292-M296 PolarHBondContact O-N 3.47Å; T294-M296 PolarHBondContact O-N 3.22Å; M296-A300 PolarHBondContact O-N 2.87Å; M296-R405 VanDerWaalsContact SD-CZ 3.51Å; M296-R405 PolarHBondContact SD-NH1 3.47Å; M296-R405 VanDerWaalsContact SD-NH1 3.41Å; M296-R405 PolarHBondContact SD-NH2 3.22Å
297	M	98.1	Very high	98.3	Very high	65 Å²	65	48.4 Å²	48.4	32%	0.32	25%	0.25	S	C	.	.	H	α-helix	trans	-67.2	-45.6	177.2	-72.5	178.3	69.6	0	0	111.5	P286 V293 T294 A300 L301 V390 V392	P286-M297 HydrophobicContact CG-CE 4.09Å; P286-M297 HydrophobicContact CG-SD 3.79Å; V293-M297 HydrophobicContact CG1-SD 4.03Å; V293-M297 WeakPolarHBondContact O-CB 3.49Å; V293-M297 VanDerWaalsContact O-CG 3.22Å; V293-M297 WeakPolarHBondContact O-CG 3.45Å; V293-M297 PolarHBondContact O-N 3.06Å; T294-M297 PolarHBondContact O-N 2.82Å; M297-A300 PolarHBondContact O-N 2.87Å; M297-L301 PolarHBondContact O-N 2.81Å; M297-V390 HydrophobicContact CE-CG1 4.03Å; M297-V392 HydrophobicContact CE-CG2 4.06Å
298	Q	98.6	Very high	98.3	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.019	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-37.1	176.1	-67.2	-164.3	3.5	0	0	112.1	L283 G285 T294 A300 L301 F302	L283-Q298 HydrophobicContact CB-CG 4.26Å; L283-Q298 PolarHBondContact O-NE2 2.72Å; G285-Q298 PolarHBondContact O-NE2 3.49Å; T294-Q298 HydrophobicContact CG2-CG 4.42Å; T294-Q298 WeakPolarHBondContact O-CG 3.44Å; T294-Q298 PolarHBondContact O-N 3.23Å; Q298-A300 VanDerWaalsContact C-N 3.3Å; Q298-A300 PolarHBondContact O-N 2.96Å; Q298-L301 PolarHBondContact O-N 2.98Å; Q298-L301 VanDerWaalsContact O-N 3.16Å; Q298-F302 HydrophobicContact CB-CD2 4.39Å; Q298-F302 HydrophobicContact CB-CE2 4.09Å; Q298-F302 WeakPolarHBondContact O-CD2 3.48Å; Q298-F302 PolarHBondContact O-N 3.11Å
299	K	98.4	Very high	98.3	Very high	117 Å²	117	51.3 Å²	51.3	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-58	-42.1	175.9	-168.4	-166	-178.2	-52.8	0	112	D295 L301 F302 D303	D295-K299 WeakPolarHBondContact O-CB 3.47Å; D295-K299 PolarHBondContact O-N 3.43Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 3.05Å; K299-F302 PolarHBondContact O-N 3.07Å; K299-D303 IonicContact NZ-OD1 2.77Å; K299-D303 PolarHBondContact NZ-OD1 2.88Å; K299-D303 IonicContact NZ-OD2 3.85Å; K299-D303 PolarHBondContact NZ-OD2 3.21Å; K299-D303 WeakPolarHBondContact O-CB 3.3Å; K299-D303 VanDerWaalsContact O-CG 3.23Å; K299-D303 PolarHBondContact O-N 3.21Å
300	A	98.5	Very high	98.2	Very high	29 Å²	29	58 Å²	58	24%	0.24	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-41.2	177.4	0	0	0	0	0	112.2	M296 M297 Q298 D303 F304 L440	M296-A300 PolarHBondContact O-N 2.87Å; M297-A300 PolarHBondContact O-N 2.87Å; Q298-A300 VanDerWaalsContact C-N 3.3Å; Q298-A300 PolarHBondContact O-N 2.96Å; A300-D303 PolarHBondContact O-N 2.87Å; A300-F304 PolarHBondContact O-N 2.9Å; A300-L440 HydrophobicContact CB-CD1 3.82Å; A300-L440 HydrophobicContact CB-CD2 3.97Å
301	L	98.8	Very high	98.1	Very high	5 Å²	5	58 Å²	58	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-43.2	174.9	-63.2	172.4	0	0	0	112.1	L283 M297 Q298 K299 F304 L305 V390 L435 L440	L283-L301 HydrophobicContact CD1-CB 4.09Å; L283-L301 HydrophobicContact CD1-CD1 4.34Å; L283-L301 HydrophobicContact CD2-CD1 3.82Å; M297-L301 PolarHBondContact O-N 2.81Å; Q298-L301 PolarHBondContact O-N 2.98Å; Q298-L301 VanDerWaalsContact O-N 3.16Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 3.05Å; L301-F304 PolarHBondContact O-N 2.86Å; L301-L305 WeakPolarHBondContact O-CB 3.27Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.16Å; L301-L305 PolarHBondContact O-N 3.15Å; L301-V390 HydrophobicContact CD1-CG2 3.54Å; L301-L435 HydrophobicContact CD1-CD1 4.12Å; L301-L435 HydrophobicContact CD2-CD1 4.4Å; L301-L440 HydrophobicContact CD2-CD1 4.18Å
302	F	98.6	Very high	98.1	Very high	19 Å²	19	59.1 Å²	59.1	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-42.1	175.1	-70.2	-57.2	0	0	0	112.4	L283 Q298 K299 F304 L305 K306 I315 V366 D368	L283-F302 HydrophobicContact CB-CZ 4.44Å; L283-F302 HydrophobicContact CD1-CD1 4.09Å; L283-F302 HydrophobicContact CD1-CD2 4.46Å; L283-F302 HydrophobicContact CD1-CE1 3.71Å; L283-F302 HydrophobicContact CD1-CE2 4.13Å; L283-F302 HydrophobicContact CD1-CG 4.44Å; L283-F302 HydrophobicContact CD1-CZ 3.74Å; Q298-F302 HydrophobicContact CB-CD2 4.39Å; Q298-F302 HydrophobicContact CB-CE2 4.09Å; Q298-F302 WeakPolarHBondContact O-CD2 3.48Å; Q298-F302 PolarHBondContact O-N 3.11Å; K299-F302 PolarHBondContact O-N 3.07Å; F302-F304 VanDerWaalsContact C-N 3.34Å; F302-L305 PolarHBondContact O-N 3.32Å; F302-K306 WeakPolarHBondContact O-CB 3.49Å; F302-K306 PolarHBondContact O-N 3.07Å; F302-I315 HydrophobicContact CD1-CG2 4.3Å; F302-V366 HydrophobicContact CD1-CG1 3.91Å; F302-V366 HydrophobicContact CE1-CG1 3.63Å; F302-D368 HydrophobicContact CE1-CB 4.23Å; F302-D368 HydrophobicContact CE2-CB 3.95Å; F302-D368 WeakPolarHBondContact CE2-OD1 3.46Å; F302-D368 HydrophobicContact CZ-CB 3.71Å
303	D	98.4	Very high	98.1	Very high	69 Å²	69	57.7 Å²	57.7	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-42.5	176.4	-70.3	-21.7	0	0	0	110.6	K299 A300 H307	K299-D303 IonicContact NZ-OD1 2.77Å; K299-D303 PolarHBondContact NZ-OD1 2.88Å; K299-D303 IonicContact NZ-OD2 3.85Å; K299-D303 PolarHBondContact NZ-OD2 3.21Å; K299-D303 WeakPolarHBondContact O-CB 3.3Å; K299-D303 VanDerWaalsContact O-CG 3.23Å; K299-D303 PolarHBondContact O-N 3.21Å; A300-D303 PolarHBondContact O-N 2.87Å; D303-H307 PolarHBondContact O-ND1 2.93Å
304	F	98.6	Very high	98.1	Very high	52 Å²	52	58.7 Å²	58.7	23%	0.228	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-53.7	174.2	167.3	-99.3	0	0	0	112.3	A300 L301 F302 K306 H307 R308 C444 A448	A300-F304 PolarHBondContact O-N 2.9Å; L301-F304 PolarHBondContact O-N 2.86Å; F302-F304 VanDerWaalsContact C-N 3.34Å; F304-K306 PolarHBondContact O-N 3.26Å; F304-H307 PolarHBondContact O-N 2.83Å; F304-H307 VanDerWaalsContact O-N 3.09Å; F304-R308 HydrophobicContact CE1-CB 4.13Å; F304-R308 HydrophobicContact CE1-CG 4.22Å; F304-R308 HydrophobicContact CE2-CB 4.11Å; F304-R308 HydrophobicContact CE2-CG 4.35Å; F304-R308 HydrophobicContact CZ-CB 3.89Å; F304-R308 HydrophobicContact CZ-CG 3.8Å; F304-R308 PolarHBondContact O-N 2.92Å; F304-C444 HydrophobicContact CD1-CB 3.67Å; F304-C444 HydrophobicContact CD2-CB 3.83Å; F304-C444 HydrophobicContact CE1-CB 3.64Å; F304-C444 WeakPolarHBondContact CE1-O 3.33Å; F304-C444 HydrophobicContact CE2-CB 3.79Å; F304-C444 HydrophobicContact CG-CB 3.76Å; F304-C444 WeakPolarHBondContact CG-SG 3.17Å; F304-C444 HydrophobicContact CZ-CB 3.7Å; F304-C444 WeakPolarHBondContact CZ-O 3.4Å; F304-A448 HydrophobicContact CE1-CB 4Å; F304-A448 HydrophobicContact CZ-CB 3.96Å
305	L	98.6	Very high	98	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-39	-178	-74.1	177	0	0	0	112.2	L301 F302 H307 F309 I313 V366 L447 L451	L301-L305 WeakPolarHBondContact O-CB 3.27Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.16Å; L301-L305 PolarHBondContact O-N 3.15Å; F302-L305 PolarHBondContact O-N 3.32Å; L305-H307 VanDerWaalsContact C-N 3.3Å; L305-H307 PolarHBondContact O-N 3.27Å; L305-F309 HydrophobicContact CD2-CD2 3.9Å; L305-F309 HydrophobicContact CD2-CE2 3.77Å; L305-F309 PolarHBondContact O-N 3.23Å; L305-F309 VanDerWaalsContact O-N 3.09Å; L305-I313 HydrophobicContact CB-CD1 3.96Å; L305-V366 HydrophobicContact CD1-CG1 4.4Å; L305-L447 HydrophobicContact CD1-CD2 4.02Å; L305-L447 HydrophobicContact CD2-CD2 4.04Å; L305-L447 HydrophobicContact CD2-CG 4.21Å; L305-L447 HydrophobicContact CG-CD2 4.23Å; L305-L451 HydrophobicContact CD2-CD1 3.65Å
306	K	97.7	Very high	98	Very high	126 Å²	126	59.6 Å²	59.6	55%	0.548	30%	0.3	S	S	.	.	H	α-helix	trans	-56.9	-42.2	178.3	-172.1	-174.3	174.2	-169.2	0	112.5	F302 F304 I315	F302-K306 WeakPolarHBondContact O-CB 3.49Å; F302-K306 PolarHBondContact O-N 3.07Å; F304-K306 PolarHBondContact O-N 3.26Å; K306-I315 HydrophobicContact CB-CD1 3.76Å; K306-I315 HydrophobicContact CG-CD1 4.34Å
307	H	98.1	Very high	98	Very high	130 Å²	130	61.7 Å²	61.7	60%	0.602	30%	0.302	S	S	*	.	H	α-helix	trans	-85.2	-42.1	-178.8	-60.8	95.2	0	0	0	111.7	D303 F304 L305 F309 E310	D303-H307 PolarHBondContact O-ND1 2.93Å; F304-H307 PolarHBondContact O-N 2.83Å; F304-H307 VanDerWaalsContact O-N 3.09Å; L305-H307 VanDerWaalsContact C-N 3.3Å; L305-H307 PolarHBondContact O-N 3.27Å; H307-F309 VanDerWaalsContact C-N 3.29Å; H307-F309 PolarHBondContact O-N 2.82Å; H307-E310 PolarHBondContact O-N 3.33Å
308	R	98	Very high	98	Very high	102 Å²	102	58.6 Å²	58.6	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-32.9	-178.5	-178.2	60.4	171.7	-122.6	-12.1	113	F304 E445 A448	F304-R308 HydrophobicContact CE1-CB 4.13Å; F304-R308 HydrophobicContact CE1-CG 4.22Å; F304-R308 HydrophobicContact CE2-CB 4.11Å; F304-R308 HydrophobicContact CE2-CG 4.35Å; F304-R308 HydrophobicContact CZ-CB 3.89Å; F304-R308 HydrophobicContact CZ-CG 3.8Å; F304-R308 PolarHBondContact O-N 2.92Å; R308-E445 IonicContact CZ-OE1 3.95Å; R308-E445 IonicContact CZ-OE2 3.18Å; R308-E445 IonicContact NH1-OE1 3.72Å; R308-E445 IonicContact NH1-OE2 3.47Å; R308-E445 PolarHBondContact NH1-OE2 3.21Å; R308-E445 IonicContact NH2-OE1 2.72Å; R308-E445 PolarHBondContact NH2-OE1 2.76Å; R308-E445 IonicContact NH2-OE2 3.69Å; R308-E445 PolarHBondContact NH2-OE2 2.82Å; R308-A448 HydrophobicContact CG-CB 4.23Å
309	F	98.1	Very high	97.8	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	25.6	-178.2	-63.7	-83.3	0	0	0	113.4	L305 H307 G311 R312 I313 L364 A448 L451 E452	L305-F309 HydrophobicContact CD2-CD2 3.9Å; L305-F309 HydrophobicContact CD2-CE2 3.77Å; L305-F309 PolarHBondContact O-N 3.23Å; L305-F309 VanDerWaalsContact O-N 3.09Å; H307-F309 VanDerWaalsContact C-N 3.29Å; H307-F309 PolarHBondContact O-N 2.82Å; F309-G311 PolarHBondContact O-N 3.42Å; F309-R312 CarbonylContact O-C 3.56Å; F309-R312 WeakPolarHBondContact O-CA 3.41Å; F309-R312 PolarHBondContact O-N 3.27Å; F309-I313 HydrophobicContact CB-CB 3.8Å; F309-I313 HydrophobicContact CB-CD1 4.13Å; F309-I313 HydrophobicContact CB-CG2 4Å; F309-I313 WeakPolarHBondContact O-CG2 3.45Å; F309-I313 PolarHBondContact O-N 3.01Å; F309-I313 VanDerWaalsContact O-N 3.12Å; F309-L364 HydrophobicContact CB-CD1 4.13Å; F309-L364 HydrophobicContact CD1-CD1 3.46Å; F309-L364 VanDerWaalsContact CD1-CD1 3.46Å; F309-L364 HydrophobicContact CD2-CD1 4.4Å; F309-L364 HydrophobicContact CE1-CD1 3.9Å; F309-L364 HydrophobicContact CG-CD1 3.75Å; F309-A448 HydrophobicContact CE2-CB 4.23Å; F309-A448 HydrophobicContact CZ-CB 4.18Å; F309-L451 HydrophobicContact CE1-CB 4.29Å; F309-L451 HydrophobicContact CE2-CB 4.3Å; F309-L451 HydrophobicContact CE2-CD1 4.21Å; F309-L451 HydrophobicContact CZ-CB 3.75Å; F309-L451 HydrophobicContact CZ-CD1 4.48Å; F309-E452 HydrophobicContact CE1-CG 3.96Å; F309-E452 WeakPolarHBondContact CE1-OE1 3.46Å; F309-E452 HydrophobicContact CZ-CG 4.23Å
310	E	96.9	Very high	97.6	Very high	158 Å²	158	58 Å²	58	74%	0.738	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	136.2	178.1	-173.1	166.3	-157.3	0	0	111.8	H307 R312	H307-E310 PolarHBondContact O-N 3.33Å; E310-R312 PolarHBondContact O-N 2.97Å; E310-R312 VanDerWaalsContact O-N 3.14Å
311	G	96	Very high	97.4	Very high	65 Å²	65	59.1 Å²	59.1	67%	0.67	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-15.2	-173.5	0	0	0	0	0	116.1	F309 Q363	F309-G311 PolarHBondContact O-N 3.42Å; G311-Q363 PolarHBondContact O-NE2 3.38Å
312	R	97.4	Very high	97.1	Very high	66 Å²	66	58.9 Å²	58.9	25%	0.249	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-5.8	177.9	-66.7	-172.1	-69.6	153	-0.7	114.3	F309 E310 L364 E452 W455	F309-R312 CarbonylContact O-C 3.56Å; F309-R312 WeakPolarHBondContact O-CA 3.41Å; F309-R312 PolarHBondContact O-N 3.27Å; E310-R312 PolarHBondContact O-N 2.97Å; E310-R312 VanDerWaalsContact O-N 3.14Å; R312-L364 PolarHBondContact O-N 3.43Å; R312-E452 IonicContact CZ-OE1 3.83Å; R312-E452 IonicContact CZ-OE2 2.61Å; R312-E452 IonicContact NH1-OE1 3.33Å; R312-E452 PolarHBondContact NH1-OE1 3.41Å; R312-E452 VanDerWaalsContact NH1-OE1 3.17Å; R312-E452 IonicContact NH1-OE2 2.83Å; R312-E452 PolarHBondContact NH1-OE2 3.16Å; R312-E452 IonicContact NH2-OE1 3.06Å; R312-E452 PolarHBondContact NH2-OE1 2.84Å; R312-E452 IonicContact NH2-OE2 3.8Å; R312-W455 HydrophobicContact CB-CH2 3.84Å; R312-W455 HydrophobicContact CB-CZ2 4.42Å; R312-W455 HydrophobicContact CB-CZ3 3.92Å; R312-W455 VanDerWaalsContact CD-CZ2 3.49Å; R312-W455 HydrophobicContact CG-CH2 3.78Å; R312-W455 HydrophobicContact CG-CZ2 3.94Å; R312-W455 HydrophobicContact CG-CZ3 4.34Å
313	I	97.9	Very high	96.8	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.138	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.1	-172.1	-164	170.6	0	0	0	113.4	L305 F309 I315 L364 V366	L305-I313 HydrophobicContact CB-CD1 3.96Å; F309-I313 HydrophobicContact CB-CB 3.8Å; F309-I313 HydrophobicContact CB-CD1 4.13Å; F309-I313 HydrophobicContact CB-CG2 4Å; F309-I313 WeakPolarHBondContact O-CG2 3.45Å; F309-I313 PolarHBondContact O-N 3.01Å; F309-I313 VanDerWaalsContact O-N 3.12Å; I313-I315 HydrophobicContact CD1-CD1 4.03Å; I313-I315 HydrophobicContact CD1-CG1 3.83Å; I313-I315 HydrophobicContact CG1-CG1 3.92Å; I313-L364 CarbonylContact C-O 3.53Å; I313-L364 WeakPolarHBondContact CA-O 3.44Å; I313-L364 HydrophobicContact CB-CB 4.3Å; I313-L364 HydrophobicContact CG1-CB 4.05Å; I313-V366 HydrophobicContact CD1-CG2 3.69Å; I313-V366 HydrophobicContact CG1-CG2 3.92Å
314	S	97.9	Very high	96.4	Very high	30 Å²	30	59.7 Å²	59.7	21%	0.21	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	107	167.5	-170.5	0	0	0	0	109.2	L364 V366	S314-L364 PolarHBondContact N-O 3.4Å; S314-V366 PolarHBondContact O-N 3.43Å
315	I	98.1	Very high	95.6	Very high	60 Å²	60	57.6 Å²	57.6	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.7	175	-49.5	-174.7	0	0	0	108.4	F302 K306 I313 V366	F302-I315 HydrophobicContact CD1-CG2 4.3Å; K306-I315 HydrophobicContact CB-CD1 3.76Å; K306-I315 HydrophobicContact CG-CD1 4.34Å; I313-I315 HydrophobicContact CD1-CD1 4.03Å; I313-I315 HydrophobicContact CD1-CG1 3.83Å; I313-I315 HydrophobicContact CG1-CG1 3.92Å; I315-V366 WeakPolarHBondContact CA-O 3.29Å; I315-V366 HydrophobicContact CG1-CB 4.19Å; I315-V366 HydrophobicContact CG2-CB 4.45Å; I315-V366 HydrophobicContact CG2-CG1 4.41Å
316	T	97.8	Very high	94.5	Very high	24 Å²	24	64.9 Å²	64.9	15%	0.147	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.7	-179.4	-174.6	0	0	0	0	111.4	R354 L358 V366 L367 D368	T316-R354 PolarHBondContact OG1-NH1 2.88Å; T316-R354 PolarHBondContact OG1-NH2 3.33Å; T316-L358 HydrophobicContact CG2-CD1 4.03Å; T316-V366 PolarHBondContact N-O 2.95Å; T316-L367 HydrophobicContact CG2-CD2 3.5Å; T316-L367 VanDerWaalsContact CG2-CD2 3.5Å; T316-L367 WeakPolarHBondContact O-CA 2.99Å; T316-D368 PolarHBondContact O-N 3.4Å
317	R	97.4	Very high	92.7	Very high	148 Å²	148	65.1 Å²	65.1	56%	0.558	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.2	172.1	-169.1	174.2	176.1	-149.3	0.3	110.3	D368 D370	R317-D368 CarbonylContact C-O 3.45Å; R317-D368 WeakPolarHBondContact CA-O 3.45Å; R317-D368 HydrophobicContact CB-CB 4.34Å; R317-D368 HydrophobicContact CG-CB 4.33Å; R317-D368 WeakPolarHBondContact CG-O 3.33Å; R317-D370 IonicContact CZ-OD1 3.14Å; R317-D370 IonicContact CZ-OD2 2.77Å; R317-D370 IonicContact NE-OD1 3.33Å; R317-D370 PolarHBondContact NE-OD1 2.73Å; R317-D370 IonicContact NE-OD2 2.69Å; R317-D370 PolarHBondContact NE-OD2 3.31Å; R317-D370 IonicContact NH2-OD1 3Å; R317-D370 PolarHBondContact NH2-OD1 2.71Å; R317-D370 VanDerWaalsContact NH2-OD1 3.08Å; R317-D370 IonicContact NH2-OD2 3.94Å; R317-D370 PolarHBondContact NH2-OD2 3.02Å
318	V	97.4	Very high	90.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	113.4	177.5	-175.6	0	0	0	0	109.2	A320 L322 E351 L367 D368 A369 D370	V318-A320 HydrophobicContact CG1-CB 4.42Å; V318-L322 HydrophobicContact CG1-CD1 3.93Å; V318-L322 HydrophobicContact CG1-CD2 4.05Å; V318-L322 HydrophobicContact CG1-CG 3.85Å; V318-E351 HydrophobicContact CG1-CB 4.46Å; V318-E351 HydrophobicContact CG1-CG 4.33Å; V318-L367 HydrophobicContact CG2-CD2 4.29Å; V318-D368 PolarHBondContact N-O 3.46Å; V318-A369 HydrophobicContact CB-CB 4.39Å; V318-A369 WeakPolarHBondContact O-CA 3.45Å; V318-D370 PolarHBondContact O-N 3.36Å
319	T	95.3	Very high	87.7	Confident	96 Å²	96	61.9 Å²	61.9	59%	0.589	33%	0.327	S	S	*	.			trans	-91.4	-24.2	178.4	54.6	0	0	0	0	112.6
320	A	94.5	Very high	85.1	Confident	13 Å²	13	69.6 Å²	69.6	11%	0.107	37%	0.368	C	S	.	.	S	Bend	trans	-67	146.5	178.5	0	0	0	0	0	111.8	V318 L322 V348 E351	V318-A320 HydrophobicContact CG1-CB 4.42Å; A320-L322 PolarHBondContact O-N 3.48Å; A320-V348 HydrophobicContact CB-CG2 3.93Å; A320-E351 HydrophobicContact CB-CG 4.07Å
321	D	93.1	Very high	82	Confident	52 Å²	52	68.7 Å²	68.7	28%	0.278	37%	0.368	S	S	.	.			trans	-78.4	86.6	176.4	-174.8	0.4	0	0	0	111.2	S323 L324 V348 T371	D321-S323 VanDerWaalsContact CG-OG 3.29Å; D321-S323 PolarHBondContact O-N 2.99Å; D321-S323 WeakPolarHBondContact OD1-CB 3.41Å; D321-S323 PolarHBondContact OD1-N 2.74Å; D321-S323 PolarHBondContact OD1-OG 3.05Å; D321-S323 PolarHBondContact OD2-OG 3.38Å; D321-L324 HydrophobicContact CB-CD1 4.11Å; D321-L324 HydrophobicContact CB-CG 4.09Å; D321-L324 WeakPolarHBondContact O-CB 3.05Å; D321-L324 WeakPolarHBondContact O-CG 3.4Å; D321-L324 PolarHBondContact O-N 2.96Å; D321-V348 VanDerWaalsContact O-CG2 3.3Å; D321-V348 WeakPolarHBondContact O-CG2 3.44Å; D321-T371 HydrophobicContact CB-CG2 4.4Å
322	L	93.8	Very high	79.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-57.3	-16.9	176	-63.2	-179.2	0	0	0	113.4	V318 A320 L324 A325 E351 I355 L367 I372 L378 T381 L383	V318-L322 HydrophobicContact CG1-CD1 3.93Å; V318-L322 HydrophobicContact CG1-CD2 4.05Å; V318-L322 HydrophobicContact CG1-CG 3.85Å; A320-L322 PolarHBondContact O-N 3.48Å; L322-L324 PolarHBondContact O-N 2.7Å; L322-A325 WeakPolarHBondContact O-CB 3.3Å; L322-A325 PolarHBondContact O-N 2.76Å; L322-A325 VanDerWaalsContact O-N 3.15Å; L322-E351 HydrophobicContact CD2-CB 4.04Å; L322-I355 HydrophobicContact CD1-CD1 4.11Å; L322-I355 HydrophobicContact CD2-CD1 4.47Å; L322-L367 HydrophobicContact CD1-CD1 4.3Å; L322-I372 HydrophobicContact CB-CD1 4.48Å; L322-L378 HydrophobicContact CB-CD2 3.82Å; L322-T381 WeakPolarHBondContact O-CG2 3.31Å; L322-L383 HydrophobicContact CD1-CD1 3.97Å
323	S	92.2	Very high	76.9	Confident	29 Å²	29	82.3 Å²	82.3	20%	0.203	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-70.6	-17	176.6	82.2	0	0	0	0	113.5	D321 A325 Q377	D321-S323 VanDerWaalsContact CG-OG 3.29Å; D321-S323 PolarHBondContact O-N 2.99Å; D321-S323 WeakPolarHBondContact OD1-CB 3.41Å; D321-S323 PolarHBondContact OD1-N 2.74Å; D321-S323 PolarHBondContact OD1-OG 3.05Å; D321-S323 PolarHBondContact OD2-OG 3.38Å; S323-A325 PolarHBondContact O-N 3.03Å; S323-Q377 WeakPolarHBondContact CA-O 3.46Å; S323-Q377 WeakPolarHBondContact CB-O 3.14Å
324	L	89.9	Confident	74.2	Confident	76 Å²	76	87 Å²	87	40%	0.398	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-73.1	-14.5	172.7	-57.1	-179.1	0	0	0	112.7	D321 L322 K326 L345	D321-L324 HydrophobicContact CB-CD1 4.11Å; D321-L324 HydrophobicContact CB-CG 4.09Å; D321-L324 WeakPolarHBondContact O-CB 3.05Å; D321-L324 WeakPolarHBondContact O-CG 3.4Å; D321-L324 PolarHBondContact O-N 2.96Å; L322-L324 PolarHBondContact O-N 2.7Å; L324-K326 PolarHBondContact O-N 3.44Å; L324-L345 HydrophobicContact CB-CD2 4.11Å
325	A	81.9	Confident	71.8	Confident	7 Å²	7	91.7 Å²	91.7	6%	0.058	46%	0.459	C	S	.	.			trans	-72.9	52	178.7	0	0	0	0	0	114	L322 S323 R327 V348 I352 T381	L322-A325 WeakPolarHBondContact O-CB 3.3Å; L322-A325 PolarHBondContact O-N 2.76Å; L322-A325 VanDerWaalsContact O-N 3.15Å; S323-A325 PolarHBondContact O-N 3.03Å; A325-R327 PolarHBondContact O-N 3.02Å; A325-V348 HydrophobicContact CB-CG1 3.9Å; A325-I352 HydrophobicContact CB-CD1 3.4Å; A325-I352 HydrophobicContact CB-CG1 4.23Å; A325-T381 HydrophobicContact CB-CG2 3.94Å; A325-T381 WeakPolarHBondContact O-CA 3.5Å
326	K	74.8	Confident	69.7	Low	154 Å²	154	98 Å²	98	67%	0.67	49%	0.489	S	S	*	.			trans	-68.5	98.5	175.4	-65.9	174.1	-175.5	167.6	0	110	L324 S328	L324-K326 PolarHBondContact O-N 3.44Å; K326-S328 PolarHBondContact O-N 2.79Å
327	R	60.7	Low	67.2	Low	130 Å²	130	102.8 Å²	102.8	49%	0.491	51%	0.51	S	S	.	.			trans	13.3	64.7	177.3	-87.3	-170.8	-76.8	-170	-0.1	114.4	D273 A325 V329 K380	D273-R327 IonicContact OD1-CZ 3.17Å; D273-R327 IonicContact OD1-NH1 3.96Å; D273-R327 PolarHBondContact OD1-NH1 3.04Å; D273-R327 IonicContact OD2-NH1 2.94Å; D273-R327 PolarHBondContact OD2-NH1 3.1Å; A325-R327 PolarHBondContact O-N 3.02Å; R327-V329 PolarHBondContact O-N 3.46Å; R327-K380 PolarHBondContact N-O 3.03Å
328	S	45.5	Very low	65	Low	75 Å²	75	106.3 Å²	106.3	52%	0.524	52%	0.523	S	S	.	.			trans	-77.2	29.8	176.4	48.9	0	0	0	0	112	K326 L330 Q349	K326-S328 PolarHBondContact O-N 2.79Å; S328-L330 PolarHBondContact O-N 3.11Å; S328-Q349 PolarHBondContact OG-OE1 3.38Å
329	V	44.8	Very low	63	Low	89 Å²	89	111.1 Å²	111.1	54%	0.539	56%	0.557	S	S	.	*			trans	-73.4	103.2	-173.6	-172.3	0	0	0	0	108.7	R327 N331	R327-V329 PolarHBondContact O-N 3.46Å; V329-N331 PolarHBondContact O-N 3.34Å
330	L	43.2	Very low	61.1	Low	163 Å²	163	113 Å²	113	85%	0.853	56%	0.563	S	S	*	*	S	Bend	trans	68.9	8.4	157.6	-80.8	147.1	0	0	0	120.1	S328 K332	S328-L330 PolarHBondContact O-N 3.11Å; L330-K332 PolarHBondContact O-N 3.03Å
331	N	32.9	Very low	59.5	Low	138 Å²	138	115.1 Å²	115.1	74%	0.738	58%	0.575	S	S	*	*			trans	-95.1	93.6	170.3	-94.8	-58.6	0	0	0	113.3	V329 R333	V329-N331 PolarHBondContact O-N 3.34Å; N331-R333 VanDerWaalsContact C-N 3.31Å; N331-R333 PolarHBondContact O-N 3.11Å
332	K	40.7	Very low	58.2	Low	212 Å²	212	121.3 Å²	121.3	92%	0.922	59%	0.594	S	S	*	*			trans	-64.7	82.7	169.8	-69.5	-176.9	179	179.2	0	111.6	L330	L330-K332 PolarHBondContact O-N 3.03Å
333	R	45.1	Very low	57	Low	206 Å²	206	124.2 Å²	124.2	78%	0.777	61%	0.614	S	S	*	*			trans	-119.1	120.2	163	-67.2	-171.5	-176.2	-173.2	1.9	109.1	N331 I335	N331-R333 VanDerWaalsContact C-N 3.31Å; N331-R333 PolarHBondContact O-N 3.11Å; R333-I335 PolarHBondContact O-N 3.45Å
334	P	40.3	Very low	56.6	Low	125 Å²	125	124.6 Å²	124.6	81%	0.812	62%	0.617	S	S	*	*			trans	-72.7	97.9	176.1	29.5	-32.2	0	0	0	109.2	M336	P334-M336 PolarHBondContact O-N 3.39Å
335	I	48.8	Very low	56.5	Low	128 Å²	128	125 Å²	125	66%	0.656	62%	0.619	S	S	*	*			trans	-69.2	118.3	158.7	-81.5	177.5	0	0	0	107	R333 E337	R333-I335 PolarHBondContact O-N 3.45Å; I335-E337 VanDerWaalsContact C-N 3.32Å; I335-E337 HydrophobicContact CG2-CB 3.99Å; I335-E337 HydrophobicContact CG2-CG 3.65Å; I335-E337 PolarHBondContact O-N 3.48Å; I335-E337 VanDerWaalsContact O-N 3.11Å
336	M	52.6	Low	56.8	Low	192 Å²	192	127.6 Å²	127.6	95%	0.946	64%	0.641	S	S	*	*			trans	-83.3	78.5	177.1	-173.5	167.6	71.1	0	0	109.1	P334	P334-M336 PolarHBondContact O-N 3.39Å
337	E	46.1	Very low	57.6	Low	126 Å²	126	125.9 Å²	125.9	59%	0.589	64%	0.635	S	S	*	*			trans	-109.9	159.7	172.6	-87.1	-172	175.2	0	0	112.9	I335	I335-E337 VanDerWaalsContact C-N 3.32Å; I335-E337 HydrophobicContact CG2-CB 3.99Å; I335-E337 HydrophobicContact CG2-CG 3.65Å; I335-E337 PolarHBondContact O-N 3.48Å; I335-E337 VanDerWaalsContact O-N 3.11Å
338	R	51	Low	59.2	Low	222 Å²	222	119.9 Å²	119.9	84%	0.838	61%	0.613	S	S	*	*			trans	-45.5	138.6	-176.1	-103.8	170.7	165.4	152.8	-6.2	112.9	N340 T341	R338-N340 PolarHBondContact O-N 3.05Å; R338-T341 PolarHBondContact O-N 3.37Å; R338-T341 PolarHBondContact O-OG1 3.41Å
339	S	55.7	Low	61.5	Low	100 Å²	100	119.4 Å²	119.4	70%	0.699	60%	0.602	S	S	*	*	H	α-helix	trans	-48.7	-35.3	-174.6	-46.4	0	0	0	0	115.2	R342	S339-R342 PolarHBondContact O-N 3.26Å
340	N	55.1	Low	63.8	Low	137 Å²	137	118.5 Å²	118.5	73%	0.733	60%	0.6	S	S	*	*	H	α-helix	trans	-75.9	-24.5	-177.3	-64.5	31.4	0	0	0	114.7	R338 R342 S343	R338-N340 PolarHBondContact O-N 3.05Å; N340-R342 VanDerWaalsContact C-N 3.34Å; N340-S343 PolarHBondContact O-OG 3.19Å
341	T	61.8	Low	66.4	Low	56 Å²	56	112.3 Å²	112.3	34%	0.344	57%	0.567	S	S	.	*	H	α-helix	trans	-80.1	-24.5	172.9	58	0	0	0	0	111.2	R338 S344 L345	R338-T341 PolarHBondContact O-N 3.37Å; R338-T341 PolarHBondContact O-OG1 3.41Å; T341-S344 PolarHBondContact O-OG 2.87Å; T341-S344 VanDerWaalsContact O-OG 3.05Å; T341-L345 VanDerWaalsContact O-CG 3.3Å; T341-L345 WeakPolarHBondContact O-CG 3.43Å; T341-L345 PolarHBondContact O-N 3.42Å; T341-L345 VanDerWaalsContact O-N 3.14Å
342	R	66.3	Low	69.4	Low	183 Å²	183	106.1 Å²	106.1	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-74.5	-33.1	-177.2	-161.8	172.7	179.9	-173.5	-2.1	113.1	S339 N340 A346	S339-R342 PolarHBondContact O-N 3.26Å; N340-R342 VanDerWaalsContact C-N 3.34Å; R342-A346 PolarHBondContact O-N 3.49Å
343	S	68.2	Low	72	Confident	60 Å²	60	101.4 Å²	101.4	42%	0.42	52%	0.515	S	S	.	.	H	α-helix	trans	-69.8	-47.1	172.3	51.7	0	0	0	0	111.7	N340 L345 A346 E347	N340-S343 PolarHBondContact O-OG 3.19Å; S343-L345 VanDerWaalsContact C-N 3.31Å; S343-L345 PolarHBondContact O-N 2.81Å; S343-A346 WeakPolarHBondContact O-CA 3.45Å; S343-A346 WeakPolarHBondContact O-CB 3.5Å; S343-A346 PolarHBondContact O-N 2.9Å; S343-E347 PolarHBondContact O-N 3.04Å
344	S	83	Confident	74.5	Confident	38 Å²	38	95 Å²	95	27%	0.266	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-35.2	179.7	62.1	0	0	0	0	113	T341 E347 V348	T341-S344 PolarHBondContact O-OG 2.87Å; T341-S344 VanDerWaalsContact O-OG 3.05Å; S344-E347 PolarHBondContact O-N 2.68Å; S344-V348 WeakPolarHBondContact O-CB 3.38Å; S344-V348 VanDerWaalsContact O-CG2 3.27Å; S344-V348 WeakPolarHBondContact O-CG2 3.28Å; S344-V348 PolarHBondContact O-N 3.26Å
345	L	87.4	Confident	77.3	Confident	83 Å²	83	89 Å²	89	44%	0.435	45%	0.452	S	S	.	.	H	α-helix	trans	-68.3	-31.6	172.4	-71.8	173.2	0	0	0	113.2	L324 T341 S343 Q349	L324-L345 HydrophobicContact CB-CD2 4.11Å; T341-L345 VanDerWaalsContact O-CG 3.3Å; T341-L345 WeakPolarHBondContact O-CG 3.43Å; T341-L345 PolarHBondContact O-N 3.42Å; T341-L345 VanDerWaalsContact O-N 3.14Å; S343-L345 VanDerWaalsContact C-N 3.31Å; S343-L345 PolarHBondContact O-N 2.81Å; L345-Q349 WeakPolarHBondContact O-CB 3.49Å; L345-Q349 PolarHBondContact O-N 3.49Å
346	A	88.9	Confident	79.6	Confident	62 Å²	62	85.3 Å²	85.3	51%	0.512	43%	0.431	S	S	.	.	H	α-helix	trans	-72.3	-39.4	174.7	0	0	0	0	0	111.7	R342 S343 Q349 S350	R342-A346 PolarHBondContact O-N 3.49Å; S343-A346 WeakPolarHBondContact O-CA 3.45Å; S343-A346 WeakPolarHBondContact O-CB 3.5Å; S343-A346 PolarHBondContact O-N 2.9Å; A346-Q349 PolarHBondContact O-N 3.01Å; A346-S350 WeakPolarHBondContact O-CB 3.38Å; A346-S350 PolarHBondContact O-N 2.71Å
347	E	91.8	Very high	81.8	Confident	118 Å²	118	81.3 Å²	81.3	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-61.1	-48.6	171.9	-70.6	162.8	-156	0	0	111.1	S343 S344 Q349 S350 E351	S343-E347 PolarHBondContact O-N 3.04Å; S344-E347 PolarHBondContact O-N 2.68Å; E347-Q349 VanDerWaalsContact C-N 3.33Å; E347-Q349 PolarHBondContact O-N 2.91Å; E347-S350 PolarHBondContact O-N 3.28Å; E347-E351 WeakPolarHBondContact O-CG 3.48Å; E347-E351 PolarHBondContact O-N 3.24Å
348	V	93.8	Very high	84.2	Confident	4 Å²	4	77.7 Å²	77.7	2%	0.024	39%	0.394	C	S	.	.	H	α-helix	trans	-58.7	-43.1	175.2	168.6	0	0	0	0	111.5	A320 D321 A325 S344 E351 I352	A320-V348 HydrophobicContact CB-CG2 3.93Å; D321-V348 VanDerWaalsContact O-CG2 3.3Å; D321-V348 WeakPolarHBondContact O-CG2 3.44Å; A325-V348 HydrophobicContact CB-CG1 3.9Å; S344-V348 WeakPolarHBondContact O-CB 3.38Å; S344-V348 VanDerWaalsContact O-CG2 3.27Å; S344-V348 WeakPolarHBondContact O-CG2 3.28Å; S344-V348 PolarHBondContact O-N 3.26Å; V348-E351 PolarHBondContact O-N 3.35Å; V348-I352 HydrophobicContact CG1-CD1 4.3Å; V348-I352 VanDerWaalsContact O-CG1 3.31Å; V348-I352 WeakPolarHBondContact O-CG1 3.39Å; V348-I352 PolarHBondContact O-N 3.43Å; V348-I352 VanDerWaalsContact O-N 3.09Å
349	Q	93.3	Very high	86.4	Confident	65 Å²	65	67.1 Å²	67.1	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-42.8	177.3	-177.3	61.9	39.3	0	0	112.2	S328 L345 A346 E347 E351 I352 E353	S328-Q349 PolarHBondContact OG-OE1 3.38Å; L345-Q349 WeakPolarHBondContact O-CB 3.49Å; L345-Q349 PolarHBondContact O-N 3.49Å; A346-Q349 PolarHBondContact O-N 3.01Å; E347-Q349 VanDerWaalsContact C-N 3.33Å; E347-Q349 PolarHBondContact O-N 2.91Å; Q349-E351 VanDerWaalsContact C-N 3.3Å; Q349-E351 PolarHBondContact O-N 2.87Å; Q349-I352 PolarHBondContact O-N 3.49Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.37Å; Q349-E353 PolarHBondContact NE2-OE1 3.19Å; Q349-E353 PolarHBondContact O-N 3.49Å
350	S	94.8	Very high	88.3	Confident	70 Å²	70	68 Å²	68	49%	0.49	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-39.4	175.1	-176.8	0	0	0	0	111.9	A346 E347 E353 R354	A346-S350 WeakPolarHBondContact O-CB 3.38Å; A346-S350 PolarHBondContact O-N 2.71Å; E347-S350 PolarHBondContact O-N 3.28Å; S350-E353 PolarHBondContact O-N 3.1Å; S350-R354 WeakPolarHBondContact O-CB 3.43Å; S350-R354 PolarHBondContact O-N 3.44Å
351	E	96.3	Very high	90.2	Very high	34 Å²	34	65.9 Å²	65.9	16%	0.159	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-38.7	177	-73.9	-66.1	91.4	0	0	112.1	V318 A320 L322 E347 V348 Q349 R354 I355	V318-E351 HydrophobicContact CG1-CB 4.46Å; V318-E351 HydrophobicContact CG1-CG 4.33Å; A320-E351 HydrophobicContact CB-CG 4.07Å; L322-E351 HydrophobicContact CD2-CB 4.04Å; E347-E351 WeakPolarHBondContact O-CG 3.48Å; E347-E351 PolarHBondContact O-N 3.24Å; V348-E351 PolarHBondContact O-N 3.35Å; Q349-E351 VanDerWaalsContact C-N 3.3Å; Q349-E351 PolarHBondContact O-N 2.87Å; E351-R354 PolarHBondContact O-N 3.17Å; E351-R354 IonicContact OE1-CZ 2.73Å; E351-R354 IonicContact OE1-NE 2.76Å; E351-R354 PolarHBondContact OE1-NE 3.04Å; E351-R354 IonicContact OE1-NH2 2.83Å; E351-R354 PolarHBondContact OE1-NH2 3.11Å; E351-R354 IonicContact OE2-CZ 3.33Å; E351-R354 IonicContact OE2-NE 2.66Å; E351-R354 IonicContact OE2-NH2 3.84Å; E351-R354 PolarHBondContact OE2-NH2 2.8Å; E351-I355 WeakPolarHBondContact O-CD1 3.31Å; E351-I355 WeakPolarHBondContact O-CG1 3.21Å; E351-I355 PolarHBondContact O-N 2.9Å
352	I	95.9	Very high	91.9	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-49.4	172.6	-61.3	159.4	0	0	0	110.4	A325 V348 Q349 R354 I355 F356 L383	A325-I352 HydrophobicContact CB-CD1 3.4Å; A325-I352 HydrophobicContact CB-CG1 4.23Å; V348-I352 HydrophobicContact CG1-CD1 4.3Å; V348-I352 VanDerWaalsContact O-CG1 3.31Å; V348-I352 WeakPolarHBondContact O-CG1 3.39Å; V348-I352 PolarHBondContact O-N 3.43Å; V348-I352 VanDerWaalsContact O-N 3.09Å; Q349-I352 PolarHBondContact O-N 3.49Å; I352-R354 VanDerWaalsContact C-N 3.29Å; I352-R354 PolarHBondContact O-N 3.46Å; I352-I355 PolarHBondContact O-N 2.87Å; I352-I355 VanDerWaalsContact O-N 3.13Å; I352-F356 HydrophobicContact CG2-CD2 3.74Å; I352-F356 HydrophobicContact CG2-CE2 3.81Å; I352-F356 WeakPolarHBondContact O-CD2 3.24Å; I352-F356 PolarHBondContact O-N 3.47Å; I352-L383 HydrophobicContact CG2-CD2 4.15Å
353	E	96.4	Very high	93.3	Very high	113 Å²	113	59.3 Å²	59.3	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-40.3	-178.9	-73.7	171	-160.8	0	0	111.3	Q349 S350 F356 E357	Q349-E353 WeakPolarHBondContact CG-OE1 3.37Å; Q349-E353 PolarHBondContact NE2-OE1 3.19Å; Q349-E353 PolarHBondContact O-N 3.49Å; S350-E353 PolarHBondContact O-N 3.1Å; E353-F356 PolarHBondContact O-N 3.32Å; E353-E357 PolarHBondContact O-N 2.93Å
354	R	97.7	Very high	94.8	Very high	71 Å²	71	56.5 Å²	56.5	27%	0.268	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-41.3	173	-169.9	-178.9	66.6	78.4	-7.4	112.9	T316 S350 E351 I352 E357 L358	T316-R354 PolarHBondContact OG1-NH1 2.88Å; T316-R354 PolarHBondContact OG1-NH2 3.33Å; S350-R354 WeakPolarHBondContact O-CB 3.43Å; S350-R354 PolarHBondContact O-N 3.44Å; E351-R354 PolarHBondContact O-N 3.17Å; E351-R354 IonicContact OE1-CZ 2.73Å; E351-R354 IonicContact OE1-NE 2.76Å; E351-R354 PolarHBondContact OE1-NE 3.04Å; E351-R354 IonicContact OE1-NH2 2.83Å; E351-R354 PolarHBondContact OE1-NH2 3.11Å; E351-R354 IonicContact OE2-CZ 3.33Å; E351-R354 IonicContact OE2-NE 2.66Å; E351-R354 IonicContact OE2-NH2 3.84Å; E351-R354 PolarHBondContact OE2-NH2 2.8Å; I352-R354 VanDerWaalsContact C-N 3.29Å; I352-R354 PolarHBondContact O-N 3.46Å; R354-E357 PolarHBondContact O-N 2.9Å; R354-L358 WeakPolarHBondContact O-CG 3.43Å; R354-L358 PolarHBondContact O-N 2.95Å
355	I	98.1	Very high	95.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-41.8	175.9	-67.1	159.8	0	0	0	110.9	P280 L322 E351 I352 E357 L358 A359 L367 L383	P280-I355 HydrophobicContact CB-CG2 4.14Å; P280-I355 HydrophobicContact CG-CG2 4.08Å; L322-I355 HydrophobicContact CD1-CD1 4.11Å; L322-I355 HydrophobicContact CD2-CD1 4.47Å; E351-I355 WeakPolarHBondContact O-CD1 3.31Å; E351-I355 WeakPolarHBondContact O-CG1 3.21Å; E351-I355 PolarHBondContact O-N 2.9Å; I352-I355 PolarHBondContact O-N 2.87Å; I352-I355 VanDerWaalsContact O-N 3.13Å; I355-E357 VanDerWaalsContact C-N 3.31Å; I355-E357 PolarHBondContact O-N 3.33Å; I355-L358 PolarHBondContact O-N 3.39Å; I355-A359 WeakPolarHBondContact O-CB 3.42Å; I355-A359 PolarHBondContact O-N 3.43Å; I355-A359 VanDerWaalsContact O-N 3.17Å; I355-L367 HydrophobicContact CD1-CD1 3.74Å; I355-L367 HydrophobicContact CD1-CD2 4.11Å; I355-L367 HydrophobicContact CG1-CD1 4.34Å; I355-L367 HydrophobicContact CG1-CD2 3.9Å; I355-L383 HydrophobicContact CB-CD2 4.25Å; I355-L383 HydrophobicContact CD1-CD1 4.34Å; I355-L383 HydrophobicContact CD1-CD2 4.26Å; I355-L383 HydrophobicContact CG2-CD2 3.87Å
356	F	97.9	Very high	96	Very high	51 Å²	51	50.9 Å²	50.9	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-38.8	173.7	-93.8	-100.1	0	0	0	112	V274 P276 I352 E353 A359 K360 L383	V274-F356 HydrophobicContact CG1-CE1 4.24Å; P276-F356 VanDerWaalsContact CD-CZ 3.49Å; P276-F356 HydrophobicContact CG-CD1 4.37Å; P276-F356 HydrophobicContact CG-CD2 3.86Å; P276-F356 HydrophobicContact CG-CE1 4.24Å; P276-F356 HydrophobicContact CG-CE2 3.72Å; P276-F356 HydrophobicContact CG-CG 4.2Å; P276-F356 HydrophobicContact CG-CZ 3.93Å; I352-F356 HydrophobicContact CG2-CD2 3.74Å; I352-F356 HydrophobicContact CG2-CE2 3.81Å; I352-F356 WeakPolarHBondContact O-CD2 3.24Å; I352-F356 PolarHBondContact O-N 3.47Å; E353-F356 PolarHBondContact O-N 3.32Å; F356-A359 PolarHBondContact O-N 2.94Å; F356-K360 PolarHBondContact O-N 3.18Å; F356-L383 HydrophobicContact CD2-CD2 4.44Å; F356-L383 HydrophobicContact CE2-CD2 4.26Å
357	E	97.6	Very high	96.5	Very high	108 Å²	108	47.9 Å²	47.9	51%	0.505	24%	0.235	S	C	.	.	H	α-helix	trans	-64.9	-49.1	176.6	-162.8	63.9	-139.9	0	0	112	E353 R354 I355 A359 K360	E353-E357 PolarHBondContact O-N 2.93Å; R354-E357 PolarHBondContact O-N 2.9Å; I355-E357 VanDerWaalsContact C-N 3.31Å; I355-E357 PolarHBondContact O-N 3.33Å; E357-A359 PolarHBondContact O-N 2.74Å; E357-K360 WeakPolarHBondContact O-CB 3.45Å; E357-K360 PolarHBondContact O-N 2.88Å; E357-K360 VanDerWaalsContact O-N 3.1Å; E357-K360 VanDerWaalsContact OE1-CD 3.3Å; E357-K360 WeakPolarHBondContact OE1-CD 3.38Å; E357-K360 IonicContact OE1-NZ 3.82Å; E357-K360 PolarHBondContact OE1-NZ 3.13Å; E357-K360 WeakPolarHBondContact OE2-CE 3.27Å; E357-K360 IonicContact OE2-NZ 3.55Å; E357-K360 PolarHBondContact OE2-NZ 3.11Å
358	L	97.5	Very high	96.8	Very high	49 Å²	49	44.4 Å²	44.4	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-56.4	-34.3	177.1	-72	176.1	0	0	0	112.5	T316 R354 I355 K360 T361 V365	T316-L358 HydrophobicContact CG2-CD1 4.03Å; R354-L358 WeakPolarHBondContact O-CG 3.43Å; R354-L358 PolarHBondContact O-N 2.95Å; I355-L358 PolarHBondContact O-N 3.39Å; L358-K360 VanDerWaalsContact C-N 3.35Å; L358-K360 PolarHBondContact O-N 3.2Å; L358-T361 PolarHBondContact O-OG1 3.07Å; L358-V365 HydrophobicContact CB-CG1 4.39Å; L358-V365 HydrophobicContact CB-CG2 3.89Å; L358-V365 HydrophobicContact CD1-CG1 4.42Å
359	A	97.8	Very high	96.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-76.6	-14.8	-178.6	0	0	0	0	0	114.6	P276 M278 I355 F356 E357 T361 L362 V365	P276-A359 HydrophobicContact CB-CB 3.61Å; M278-A359 HydrophobicContact CB-CB 4.22Å; I355-A359 WeakPolarHBondContact O-CB 3.42Å; I355-A359 PolarHBondContact O-N 3.43Å; I355-A359 VanDerWaalsContact O-N 3.17Å; F356-A359 PolarHBondContact O-N 2.94Å; E357-A359 PolarHBondContact O-N 2.74Å; A359-T361 VanDerWaalsContact C-N 3.34Å; A359-T361 PolarHBondContact O-N 2.86Å; A359-L362 PolarHBondContact O-N 3.4Å; A359-V365 HydrophobicContact CB-CG2 4.22Å
360	K	95.6	Very high	97	Very high	119 Å²	119	43.7 Å²	43.7	52%	0.517	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-66.4	-31.9	-177.3	-77.2	172.3	176	173.1	0	113.8	F356 E357 L358 L362	F356-K360 PolarHBondContact O-N 3.18Å; E357-K360 WeakPolarHBondContact O-CB 3.45Å; E357-K360 PolarHBondContact O-N 2.88Å; E357-K360 VanDerWaalsContact O-N 3.1Å; E357-K360 VanDerWaalsContact OE1-CD 3.3Å; E357-K360 WeakPolarHBondContact OE1-CD 3.38Å; E357-K360 IonicContact OE1-NZ 3.82Å; E357-K360 PolarHBondContact OE1-NZ 3.13Å; E357-K360 WeakPolarHBondContact OE2-CE 3.27Å; E357-K360 IonicContact OE2-NZ 3.55Å; E357-K360 PolarHBondContact OE2-NZ 3.11Å; L358-K360 VanDerWaalsContact C-N 3.35Å; L358-K360 PolarHBondContact O-N 3.2Å; K360-L362 PolarHBondContact O-N 3.03Å
361	T	94.3	Very high	97	Very high	92 Å²	92	42.4 Å²	42.4	56%	0.564	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-76	0.1	-178.7	57.4	0	0	0	0	113.4	L358 A359 Q363	L358-T361 PolarHBondContact O-OG1 3.07Å; A359-T361 VanDerWaalsContact C-N 3.34Å; A359-T361 PolarHBondContact O-N 2.86Å; T361-Q363 PolarHBondContact O-N 2.85Å
362	L	96.6	Very high	97.1	Very high	28 Å²	28	40.8 Å²	40.8	15%	0.147	20%	0.2	C	C	.	.			trans	59.8	17.8	-171.6	-56.4	-177.8	0	0	0	115.2	V116 M278 A359 K360 W455 H459	V116-L362 HydrophobicContact CG2-CD1 4Å; V116-L362 HydrophobicContact CG2-CD2 4.42Å; M278-L362 WeakPolarHBondContact CE-O 3.24Å; M278-L362 VanDerWaalsContact CG-CA 3.46Å; M278-L362 HydrophobicContact CG-CB 4.24Å; M278-L362 HydrophobicContact CG-CD2 4.02Å; M278-L362 HydrophobicContact SD-CB 4.35Å; M278-L362 HydrophobicContact SD-CD2 4.25Å; A359-L362 PolarHBondContact O-N 3.4Å; K360-L362 PolarHBondContact O-N 3.03Å; L362-W455 WeakPolarHBondContact O-CZ3 3.33Å; L362-H459 PolarHBondContact O-CE1 3.46Å; L362-H459 VanDerWaalsContact O-CE1 3.25Å
363	Q	96.9	Very high	97.2	Very high	72 Å²	72	42 Å²	42	34%	0.336	21%	0.207	S	C	.	.			trans	-73.4	152.9	168.7	-71	-178.1	-24.8	0	0	112	M278 G311 T361 V365	M278-Q363 WeakPolarHBondContact CB-O 3.37Å; M278-Q363 WeakPolarHBondContact CG-O 3.42Å; G311-Q363 PolarHBondContact O-NE2 3.38Å; T361-Q363 PolarHBondContact O-N 2.85Å; Q363-V365 PolarHBondContact O-N 3.26Å
364	L	98.5	Very high	97.3	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	124.1	171.1	-69.3	174.2	0	0	0	109.3	M278 F309 R312 I313 S314 L451 Y454 W455	M278-L364 HydrophobicContact CE-CD2 3.85Å; M278-L364 HydrophobicContact CE-CG 4.5Å; F309-L364 HydrophobicContact CB-CD1 4.13Å; F309-L364 HydrophobicContact CD1-CD1 3.46Å; F309-L364 VanDerWaalsContact CD1-CD1 3.46Å; F309-L364 HydrophobicContact CD2-CD1 4.4Å; F309-L364 HydrophobicContact CE1-CD1 3.9Å; F309-L364 HydrophobicContact CG-CD1 3.75Å; R312-L364 PolarHBondContact O-N 3.43Å; I313-L364 CarbonylContact C-O 3.53Å; I313-L364 WeakPolarHBondContact CA-O 3.44Å; I313-L364 HydrophobicContact CB-CB 4.3Å; I313-L364 HydrophobicContact CG1-CB 4.05Å; S314-L364 PolarHBondContact N-O 3.4Å; L364-L451 HydrophobicContact CD2-CD2 4.48Å; L364-Y454 HydrophobicContact CD2-CD1 4.14Å; L364-W455 HydrophobicContact CD1-CE3 4.47Å; L364-W455 HydrophobicContact CD2-CE3 4.3Å; L364-W455 HydrophobicContact CG-CE3 3.91Å; L364-W455 HydrophobicContact CG-CZ3 4.21Å
365	V	98.6	Very high	97.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.5	174.7	-177.5	0	0	0	0	108.6	P280 V281 L358 A359 Q363 L367	P280-V365 CarbonylContact C-O 3.54Å; P280-V365 WeakPolarHBondContact CA-O 3.41Å; P280-V365 HydrophobicContact CB-CB 4.43Å; P280-V365 HydrophobicContact CB-CG1 4.21Å; V281-V365 PolarHBondContact N-O 3.09Å; L358-V365 HydrophobicContact CB-CG1 4.39Å; L358-V365 HydrophobicContact CB-CG2 3.89Å; L358-V365 HydrophobicContact CD1-CG1 4.42Å; A359-V365 HydrophobicContact CB-CG2 4.22Å; Q363-V365 PolarHBondContact O-N 3.26Å; V365-L367 HydrophobicContact CG1-CD2 3.91Å
366	V	98.8	Very high	97.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.4	-179.4	-179.4	0	0	0	0	109.7	V281 F302 L305 I313 S314 I315 T316	V281-V366 HydrophobicContact CB-CB 4.44Å; V281-V366 HydrophobicContact CB-CG1 4.35Å; V281-V366 HydrophobicContact CB-CG2 3.99Å; V281-V366 HydrophobicContact CG2-CG2 4.09Å; F302-V366 HydrophobicContact CD1-CG1 3.91Å; F302-V366 HydrophobicContact CE1-CG1 3.63Å; L305-V366 HydrophobicContact CD1-CG1 4.4Å; I313-V366 HydrophobicContact CD1-CG2 3.69Å; I313-V366 HydrophobicContact CG1-CG2 3.92Å; S314-V366 PolarHBondContact O-N 3.43Å; I315-V366 WeakPolarHBondContact CA-O 3.29Å; I315-V366 HydrophobicContact CG1-CB 4.19Å; I315-V366 HydrophobicContact CG2-CB 4.45Å; I315-V366 HydrophobicContact CG2-CG1 4.41Å; T316-V366 PolarHBondContact N-O 2.95Å
367	L	98.6	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113	-174.9	-49.3	-178.5	0	0	0	111.1	P280 V281 V282 T316 V318 L322 I355 V365 A369	P280-L367 HydrophobicContact CB-CD1 3.69Å; P280-L367 HydrophobicContact CB-CD2 4.37Å; P280-L367 HydrophobicContact CB-CG 3.83Å; P280-L367 HydrophobicContact CG-CD1 4.21Å; V281-L367 PolarHBondContact O-N 3.35Å; V282-L367 HydrophobicContact CG2-CB 4.28Å; V282-L367 HydrophobicContact CG2-CD1 4.15Å; V282-L367 HydrophobicContact CG2-CG 4.49Å; T316-L367 HydrophobicContact CG2-CD2 3.5Å; T316-L367 VanDerWaalsContact CG2-CD2 3.5Å; T316-L367 WeakPolarHBondContact O-CA 2.99Å; V318-L367 HydrophobicContact CG2-CD2 4.29Å; L322-L367 HydrophobicContact CD1-CD1 4.3Å; I355-L367 HydrophobicContact CD1-CD1 3.74Å; I355-L367 HydrophobicContact CD1-CD2 4.11Å; I355-L367 HydrophobicContact CG1-CD1 4.34Å; I355-L367 HydrophobicContact CG1-CD2 3.9Å; V365-L367 HydrophobicContact CG1-CD2 3.91Å; L367-A369 HydrophobicContact CB-CB 4.5Å; L367-A369 PolarHBondContact O-N 3.25Å
368	D	97.9	Very high	97	Very high	45 Å²	45	33.6 Å²	33.6	24%	0.241	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	78	161.4	-176.5	26.2	0	0	0	108.8	F302 T316 R317 V318	F302-D368 HydrophobicContact CE1-CB 4.23Å; F302-D368 HydrophobicContact CE2-CB 3.95Å; F302-D368 WeakPolarHBondContact CE2-OD1 3.46Å; F302-D368 HydrophobicContact CZ-CB 3.71Å; T316-D368 PolarHBondContact O-N 3.4Å; R317-D368 CarbonylContact C-O 3.45Å; R317-D368 WeakPolarHBondContact CA-O 3.45Å; R317-D368 HydrophobicContact CB-CB 4.34Å; R317-D368 HydrophobicContact CG-CB 4.33Å; R317-D368 WeakPolarHBondContact CG-O 3.33Å; V318-D368 PolarHBondContact N-O 3.46Å
369	A	96.8	Very high	96.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.4	-178	0	0	0	0	0	110.8	K289 V318 L367 T371 I372	K289-A369 WeakPolarHBondContact CD-O 3.22Å; K289-A369 WeakPolarHBondContact CE-O 3.42Å; K289-A369 PolarHBondContact NZ-O 3.22Å; V318-A369 HydrophobicContact CB-CB 4.39Å; V318-A369 WeakPolarHBondContact O-CA 3.45Å; L367-A369 HydrophobicContact CB-CB 4.5Å; L367-A369 PolarHBondContact O-N 3.25Å; A369-T371 VanDerWaalsContact C-N 3.3Å; A369-T371 PolarHBondContact O-N 3.1Å; A369-I372 HydrophobicContact CB-CB 4.21Å; A369-I372 HydrophobicContact CB-CG1 3.85Å
370	D	95	Very high	96.4	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.283	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-36.1	-174.2	-71	-4.8	0	0	0	112.6	R317 V318	R317-D370 IonicContact CZ-OD1 3.14Å; R317-D370 IonicContact CZ-OD2 2.77Å; R317-D370 IonicContact NE-OD1 3.33Å; R317-D370 PolarHBondContact NE-OD1 2.73Å; R317-D370 IonicContact NE-OD2 2.69Å; R317-D370 PolarHBondContact NE-OD2 3.31Å; R317-D370 IonicContact NH2-OD1 3Å; R317-D370 PolarHBondContact NH2-OD1 2.71Å; R317-D370 VanDerWaalsContact NH2-OD1 3.08Å; R317-D370 IonicContact NH2-OD2 3.94Å; R317-D370 PolarHBondContact NH2-OD2 3.02Å; V318-D370 PolarHBondContact O-N 3.36Å
371	T	94.9	Very high	96.4	Very high	43 Å²	43	36.6 Å²	36.6	26%	0.264	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-13.6	-168.4	56.5	0	0	0	0	114.5	D321 A369 N373 Q377	D321-T371 HydrophobicContact CB-CG2 4.4Å; A369-T371 VanDerWaalsContact C-N 3.3Å; A369-T371 PolarHBondContact O-N 3.1Å; T371-N373 PolarHBondContact O-ND2 3.44Å; T371-Q377 PolarHBondContact O-NE2 3.14Å
372	I	97.8	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.			trans	-92.5	115.9	-172.9	-53.6	-57.2	0	0	0	110.6	V282 V284 K289 L322 A369 Q377 L378	V282-I372 HydrophobicContact CG1-CB 4.4Å; V282-I372 HydrophobicContact CG1-CG2 4.02Å; V284-I372 HydrophobicContact CG1-CG2 4.13Å; K289-I372 VanDerWaalsContact CE-O 3.25Å; K289-I372 WeakPolarHBondContact CE-O 3.39Å; L322-I372 HydrophobicContact CB-CD1 4.48Å; A369-I372 HydrophobicContact CB-CB 4.21Å; A369-I372 HydrophobicContact CB-CG1 3.85Å; I372-Q377 HydrophobicContact CD1-CB 4.06Å; I372-L378 HydrophobicContact CD1-CD2 3.68Å; I372-L378 HydrophobicContact CD1-CG 4.03Å; I372-L378 HydrophobicContact CG1-CD1 4.24Å; I372-L378 HydrophobicContact CG1-CD2 4.13Å; I372-L378 HydrophobicContact CG1-CG 4.26Å; I372-L378 HydrophobicContact CG2-CD1 3.9Å; I372-L378 HydrophobicContact CG2-CG 4.04Å
373	N	98	Very high	96.4	Very high	32 Å²	32	31.9 Å²	31.9	17%	0.171	18%	0.179	C	C	.	.			trans	-126	-6.5	-175.3	-68.9	-89.8	0	0	0	112.5	L288 K289 T371 L423	L288-N373 VanDerWaalsContact CA-OD1 3.28Å; L288-N373 WeakPolarHBondContact CA-OD1 3.47Å; L288-N373 HydrophobicContact CD2-CB 4.05Å; K289-N373 PolarHBondContact N-OD1 3.36Å; T371-N373 PolarHBondContact O-ND2 3.44Å; N373-L423 WeakPolarHBondContact O-CD2 3.49Å
374	H	98.1	Very high	96.4	Very high	53 Å²	53	29.3 Å²	29.3	25%	0.245	17%	0.17	C	C	.	.	S	Bend	trans	-154.9	135.4	-173.5	-171.8	-78.5	0	0	0	111.6	A376 Q377 C426	H374-A376 VanDerWaalsContact C-N 3.29Å; H374-A376 VanDerWaalsContact ND1-CB 3.3Å; H374-A376 WeakPolarHBondContact ND1-CB 3.19Å; H374-A376 PolarHBondContact ND1-N 2.95Å; H374-A376 VanDerWaalsContact ND1-N 3.2Å; H374-A376 PolarHBondContact O-N 2.98Å; H374-Q377 HydrophobicContact CB-CG 4.49Å; H374-Q377 WeakPolarHBondContact O-CB 3.47Å; H374-Q377 PolarHBondContact O-N 3.37Å; H374-C426 PolarHBondContact NE2-SG 3.31Å
375	P	97.5	Very high	96.4	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.045	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-56.4	-38.1	-174.4	19.2	-32.2	0	0	0	113.9	Q377 L378 A379 I387 M430 F431	P375-Q377 PolarHBondContact O-N 3.47Å; P375-L378 PolarHBondContact O-N 2.94Å; P375-A379 PolarHBondContact O-N 3.33Å; P375-I387 HydrophobicContact CB-CG1 4.24Å; P375-I387 HydrophobicContact CB-CG2 4.27Å; P375-M430 HydrophobicContact CB-CB 4.34Å; P375-M430 HydrophobicContact CB-CE 4.09Å; P375-M430 HydrophobicContact CG-CB 4.03Å; P375-M430 HydrophobicContact CG-CE 3.92Å; P375-F431 HydrophobicContact CG-CD1 4.29Å; P375-F431 HydrophobicContact CG-CE1 3.72Å; P375-F431 HydrophobicContact CG-CZ 4.22Å
376	A	96.6	Very high	96.4	Very high	49 Å²	49	29.7 Å²	29.7	41%	0.405	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-57.4	-20.7	177.2	0	0	0	0	0	115.1	H374 L378 M430	H374-A376 VanDerWaalsContact C-N 3.29Å; H374-A376 VanDerWaalsContact ND1-CB 3.3Å; H374-A376 WeakPolarHBondContact ND1-CB 3.19Å; H374-A376 PolarHBondContact ND1-N 2.95Å; H374-A376 VanDerWaalsContact ND1-N 3.2Å; H374-A376 PolarHBondContact O-N 2.98Å; A376-L378 VanDerWaalsContact C-N 3.31Å; A376-M430 HydrophobicContact CB-CE 4.1Å
377	Q	95.8	Very high	96.4	Very high	54 Å²	54	30.1 Å²	30.1	25%	0.252	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-65.2	-35.1	174.4	-72	176.9	-88.8	0	0	111.9	S323 T371 I372 H374 P375	S323-Q377 WeakPolarHBondContact CA-O 3.46Å; S323-Q377 WeakPolarHBondContact CB-O 3.14Å; T371-Q377 PolarHBondContact O-NE2 3.14Å; I372-Q377 HydrophobicContact CD1-CB 4.06Å; H374-Q377 HydrophobicContact CB-CG 4.49Å; H374-Q377 WeakPolarHBondContact O-CB 3.47Å; H374-Q377 PolarHBondContact O-N 3.37Å; P375-Q377 PolarHBondContact O-N 3.47Å
378	L	95.7	Very high	96.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-14.2	-179.1	-63.2	-178.1	0	0	0	113.6	V282 L322 I372 P375 A376 K380 T381 P385 I387	V282-L378 HydrophobicContact CB-CD1 4.44Å; V282-L378 HydrophobicContact CG1-CD1 4.17Å; V282-L378 HydrophobicContact CG2-CD1 3.94Å; L322-L378 HydrophobicContact CB-CD2 3.82Å; I372-L378 HydrophobicContact CD1-CD2 3.68Å; I372-L378 HydrophobicContact CD1-CG 4.03Å; I372-L378 HydrophobicContact CG1-CD1 4.24Å; I372-L378 HydrophobicContact CG1-CD2 4.13Å; I372-L378 HydrophobicContact CG1-CG 4.26Å; I372-L378 HydrophobicContact CG2-CD1 3.9Å; I372-L378 HydrophobicContact CG2-CG 4.04Å; P375-L378 PolarHBondContact O-N 2.94Å; A376-L378 VanDerWaalsContact C-N 3.31Å; L378-K380 PolarHBondContact O-N 2.64Å; L378-T381 HydrophobicContact CD2-CG2 4.14Å; L378-T381 WeakPolarHBondContact O-CB 3.37Å; L378-T381 WeakPolarHBondContact O-CG2 3.36Å; L378-T381 PolarHBondContact O-N 2.71Å; L378-T381 PolarHBondContact O-OG1 3.42Å; L378-P385 HydrophobicContact CB-CG 4.04Å; L378-P385 HydrophobicContact CD1-CB 4.42Å; L378-P385 HydrophobicContact CD1-CG 3.86Å; L378-I387 HydrophobicContact CD1-CD1 4.45Å
379	A	92.6	Very high	96.5	Very high	73 Å²	73	28.5 Å²	28.5	60%	0.603	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-16.4	-176.2	0	0	0	0	0	115.7	P375	P375-A379 PolarHBondContact O-N 3.33Å
380	K	90.3	Very high	96.5	Very high	144 Å²	144	29 Å²	29	63%	0.626	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	5.3	176.9	-63.8	-173.9	180	-178	0	114.1	R327 L378	R327-K380 PolarHBondContact N-O 3.03Å; L378-K380 PolarHBondContact O-N 2.64Å
381	T	94.3	Very high	96.7	Very high	15 Å²	15	29.6 Å²	29.6	9%	0.092	17%	0.169	C	C	.	.	S	Bend	trans	-91	166.9	177.1	74.1	0	0	0	0	110.9	L322 A325 L378 L383	L322-T381 WeakPolarHBondContact O-CG2 3.31Å; A325-T381 HydrophobicContact CB-CG2 3.94Å; A325-T381 WeakPolarHBondContact O-CA 3.5Å; L378-T381 HydrophobicContact CD2-CG2 4.14Å; L378-T381 WeakPolarHBondContact O-CB 3.37Å; L378-T381 WeakPolarHBondContact O-CG2 3.36Å; L378-T381 PolarHBondContact O-N 2.71Å; L378-T381 PolarHBondContact O-OG1 3.42Å; T381-L383 VanDerWaalsContact C-N 3.28Å; T381-L383 PolarHBondContact OG1-N 3.04Å
382	S	94.9	Very high	96.8	Very high	21 Å²	21	29.1 Å²	29.1	15%	0.147	17%	0.165	C	C	.	.	S	Bend	trans	-82.9	2.1	169.8	49	0	0	0	0	113.6	V275 P276	V275-S382 WeakPolarHBondContact CA-O 3.46Å; V275-S382 WeakPolarHBondContact CG1-O 3.47Å; P276-S382 WeakPolarHBondContact CD-O 3.34Å
383	L	96.8	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.			trans	-74.1	-28.7	-173.9	-64.8	176.7	0	0	0	113.6	P276 P280 L322 I352 I355 F356 T381 P385	P276-L383 WeakPolarHBondContact CD-O 3.17Å; P276-L383 HydrophobicContact CG-CD2 4.28Å; P280-L383 VanDerWaalsContact CD-O 3.31Å; P280-L383 WeakPolarHBondContact CD-O 3.32Å; P280-L383 HydrophobicContact CG-CB 4.24Å; L322-L383 HydrophobicContact CD1-CD1 3.97Å; I352-L383 HydrophobicContact CG2-CD2 4.15Å; I355-L383 HydrophobicContact CB-CD2 4.25Å; I355-L383 HydrophobicContact CD1-CD1 4.34Å; I355-L383 HydrophobicContact CD1-CD2 4.26Å; I355-L383 HydrophobicContact CG2-CD2 3.87Å; F356-L383 HydrophobicContact CD2-CD2 4.44Å; F356-L383 HydrophobicContact CE2-CD2 4.26Å; T381-L383 VanDerWaalsContact C-N 3.28Å; T381-L383 PolarHBondContact OG1-N 3.04Å; L383-P385 VanDerWaalsContact C-N 3.3Å
384	A	97.3	Very high	96.7	Very high	19 Å²	19	33.3 Å²	33.3	16%	0.157	20%	0.197	C	C	.	.			trans	40.4	52.3	-175.8	0	0	0	0	0	113.9	F148 V275 R279	F148-A384 HydrophobicContact CE1-CB 3.68Å; F148-A384 HydrophobicContact CZ-CB 3.99Å; V275-A384 HydrophobicContact CB-CB 4.17Å; V275-A384 HydrophobicContact CG1-CB 3.7Å; R279-A384 WeakPolarHBondContact CG-O 3.34Å; R279-A384 PolarHBondContact NE-O 2.83Å
385	P	98.3	Very high	96.7	Very high	11 Å²	11	34.7 Å²	34.7	7%	0.071	21%	0.211	C	C	.	.			trans	-62.1	158.8	-170.6	30.4	-40.1	0	0	0	112.9	R279 P280 V282 L378 L383 I387	R279-P385 PolarHBondContact NH2-O 3.42Å; P280-P385 HydrophobicContact CG-CB 4.23Å; P280-P385 CarbonylContact O-C 3.54Å; P280-P385 WeakPolarHBondContact O-CA 3.41Å; P280-P385 WeakPolarHBondContact O-CB 3.32Å; V282-P385 HydrophobicContact CB-CB 4.44Å; V282-P385 HydrophobicContact CG2-CB 3.73Å; L378-P385 HydrophobicContact CB-CG 4.04Å; L378-P385 HydrophobicContact CD1-CB 4.42Å; L378-P385 HydrophobicContact CD1-CG 3.86Å; L383-P385 VanDerWaalsContact C-N 3.3Å; P385-I387 HydrophobicContact CB-CD1 4.03Å; P385-I387 HydrophobicContact CG-CD1 3.48Å; P385-I387 VanDerWaalsContact CG-CD1 3.48Å; P385-I387 HydrophobicContact CG-CG1 4.21Å
386	I	98.8	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.4	160.2	-68.9	164.1	0	0	0	106.8	R279 P280 V281 V282 V388 D432 Y450 L451 Y454	R279-I386 HydrophobicContact CB-CD1 4.01Å; R279-I386 HydrophobicContact CB-CG1 3.79Å; P280-I386 PolarHBondContact O-N 3.37Å; V281-I386 WeakPolarHBondContact CA-O 3.4Å; V281-I386 HydrophobicContact CG1-CG2 4.43Å; V281-I386 HydrophobicContact CG2-CB 4.32Å; V281-I386 HydrophobicContact CG2-CD1 4.32Å; V282-I386 PolarHBondContact N-O 3.2Å; I386-V388 HydrophobicContact CG2-CG2 4.14Å; I386-D432 WeakPolarHBondContact CA-OD2 3.47Å; I386-D432 HydrophobicContact CG2-CB 3.82Å; I386-Y450 HydrophobicContact CD1-CE1 4.44Å; I386-Y450 HydrophobicContact CG2-CE1 3.9Å; I386-L451 HydrophobicContact CD1-CD2 4.48Å; I386-Y454 HydrophobicContact CD1-CD1 3.63Å; I386-Y454 HydrophobicContact CD1-CD2 4.19Å; I386-Y454 HydrophobicContact CD1-CE1 3.65Å; I386-Y454 HydrophobicContact CD1-CE2 4.23Å; I386-Y454 HydrophobicContact CD1-CG 3.93Å
387	I	98.7	Very high	96.8	Very high	9 Å²	9	42 Å²	42	5%	0.046	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116	177.8	-54	-64	0	0	0	109.6	V282 V284 P375 L378 P385 F431 D432 V433	V282-I387 HydrophobicContact CB-CD1 4.26Å; V284-I387 HydrophobicContact CG2-CG2 3.7Å; P375-I387 HydrophobicContact CB-CG1 4.24Å; P375-I387 HydrophobicContact CB-CG2 4.27Å; L378-I387 HydrophobicContact CD1-CD1 4.45Å; P385-I387 HydrophobicContact CB-CD1 4.03Å; P385-I387 HydrophobicContact CG-CD1 3.48Å; P385-I387 VanDerWaalsContact CG-CD1 3.48Å; P385-I387 HydrophobicContact CG-CG1 4.21Å; I387-F431 HydrophobicContact CG2-CD1 3.75Å; I387-F431 HydrophobicContact CG2-CE1 4.37Å; I387-D432 PolarHBondContact N-OD2 3.42Å; I387-D432 PolarHBondContact O-N 3.23Å; I387-V433 PolarHBondContact O-N 3.13Å
388	V	98.9	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.6	174.2	-177.3	0	0	0	0	108.6	V281 V282 L283 V284 I386 V433 L435 L447	V281-V388 HydrophobicContact CG1-CG2 3.66Å; V282-V388 PolarHBondContact O-N 2.96Å; L283-V388 WeakPolarHBondContact CA-O 3.31Å; L283-V388 HydrophobicContact CD2-CB 3.72Å; L283-V388 HydrophobicContact CD2-CG1 3.51Å; L283-V388 HydrophobicContact CG-CB 4.43Å; V284-V388 PolarHBondContact N-O 3.05Å; I386-V388 HydrophobicContact CG2-CG2 4.14Å; V388-V433 WeakPolarHBondContact CA-O 3.49Å; V388-V433 HydrophobicContact CB-CB 4.46Å; V388-V433 HydrophobicContact CG1-CB 4.2Å; V388-V433 HydrophobicContact CG1-CG1 4.37Å; V388-V433 HydrophobicContact CG2-CB 4.17Å; V388-V433 HydrophobicContact CG2-CG2 4.29Å; V388-L435 HydrophobicContact CG1-CD1 3.69Å; V388-L435 HydrophobicContact CG1-CG 3.97Å; V388-L447 HydrophobicContact CG1-CD1 3.95Å; V388-L447 HydrophobicContact CG2-CD1 3.75Å
389	Y	98.8	Very high	97	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110	177.6	176.6	-152.9	0	0	0	110.8	V284 K391 L423 F431 V433 I434 L435	V284-Y389 HydrophobicContact CG2-CD2 4.5Å; V284-Y389 WeakPolarHBondContact O-CA 3.3Å; Y389-K391 HydrophobicContact CD1-CB 4.1Å; Y389-K391 HydrophobicContact CD1-CD 4.43Å; Y389-K391 HydrophobicContact CD2-CB 4.37Å; Y389-K391 HydrophobicContact CE1-CB 3.79Å; Y389-K391 HydrophobicContact CE1-CD 3.86Å; Y389-K391 HydrophobicContact CE1-CG 3.86Å; Y389-K391 HydrophobicContact CE2-CB 4.06Å; Y389-K391 HydrophobicContact CG-CB 4.37Å; Y389-K391 PolarHBondContact O-N 3.02Å; Y389-L423 HydrophobicContact CD2-CD1 4.43Å; Y389-L423 HydrophobicContact CE2-CB 3.81Å; Y389-L423 HydrophobicContact CE2-CD1 3.95Å; Y389-L423 HydrophobicContact CE2-CG 4.36Å; Y389-F431 HydrophobicContact CD1-CD1 4.38Å; Y389-F431 HydrophobicContact CD1-CD2 4.09Å; Y389-F431 HydrophobicContact CD1-CE1 4.08Å; Y389-F431 AromaticContact CD1-CE2 3.78Å; Y389-F431 HydrophobicContact CD1-CE2 3.78Å; Y389-F431 HydrophobicContact CD1-CG 4.37Å; Y389-F431 AromaticContact CD1-CZ 3.76Å; Y389-F431 HydrophobicContact CD1-CZ 3.76Å; Y389-F431 HydrophobicContact CE1-CE2 4.28Å; Y389-F431 HydrophobicContact CE1-CZ 4.25Å; Y389-F431 HydrophobicContact CG-CD1 4.19Å; Y389-F431 AromaticContact CG-CE1 3.93Å; Y389-F431 HydrophobicContact CG-CE1 3.93Å; Y389-F431 HydrophobicContact CG-CE2 4.45Å; Y389-F431 HydrophobicContact CG-CZ 4.07Å; Y389-V433 PolarHBondContact N-O 3.14Å; Y389-I434 HydrophobicContact CD1-CG1 4.41Å; Y389-I434 HydrophobicContact CD1-CG2 4.11Å; Y389-L435 PolarHBondContact O-N 3.21Å
390	V	98.6	Very high	97.3	Very high	11 Å²	11	47.6 Å²	47.6	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	112.4	168.7	-172.6	0	0	0	0	108	L283 V284 G285 P286 M297 L301	L283-V390 HydrophobicContact CD2-CG2 3.68Å; V284-V390 PolarHBondContact O-N 3.35Å; G285-V390 CarbonylContact C-O 3.48Å; P286-V390 WeakPolarHBondContact CA-O 3.42Å; P286-V390 WeakPolarHBondContact CB-O 3.48Å; M297-V390 HydrophobicContact CE-CG1 4.03Å; L301-V390 HydrophobicContact CD1-CG2 3.54Å
391	K	98.2	Very high	97.7	Very high	66 Å²	66	43.8 Å²	43.8	29%	0.287	23%	0.23	S	C	.	.			trans	-117.5	114.7	-168.2	175.6	-179.3	160.6	-144	0	111.6	Y389 S393 I434 L435 D436	Y389-K391 HydrophobicContact CD1-CB 4.1Å; Y389-K391 HydrophobicContact CD1-CD 4.43Å; Y389-K391 HydrophobicContact CD2-CB 4.37Å; Y389-K391 HydrophobicContact CE1-CB 3.79Å; Y389-K391 HydrophobicContact CE1-CD 3.86Å; Y389-K391 HydrophobicContact CE1-CG 3.86Å; Y389-K391 HydrophobicContact CE2-CB 4.06Å; Y389-K391 HydrophobicContact CG-CB 4.37Å; Y389-K391 PolarHBondContact O-N 3.02Å; K391-S393 WeakPolarHBondContact CE-OG 3.32Å; K391-S393 PolarHBondContact O-N 2.97Å; K391-I434 HydrophobicContact CB-CG2 4.11Å; K391-I434 HydrophobicContact CD-CG2 3.72Å; K391-L435 PolarHBondContact N-O 3.01Å; K391-D436 HydrophobicContact CB-CB 3.96Å; K391-D436 HydrophobicContact CD-CB 3.86Å; K391-D436 HydrophobicContact CG-CB 4.02Å; K391-D436 IonicContact NZ-OD2 3.14Å; K391-D436 PolarHBondContact NZ-OD2 3.39Å
392	V	98	Very high	97.9	Very high	32 Å²	32	43 Å²	43	19%	0.194	23%	0.226	C	C	.	.			trans	-86.3	96.2	166.1	175.9	0	0	0	0	108.7	P286 M297 S394 V397 L398	P286-V392 HydrophobicContact CB-CB 4.11Å; P286-V392 HydrophobicContact CB-CG2 3.61Å; P286-V392 HydrophobicContact CG-CG2 3.95Å; M297-V392 HydrophobicContact CE-CG2 4.06Å; V392-S394 PolarHBondContact O-N 2.91Å; V392-V397 HydrophobicContact CG1-CB 4.06Å; V392-V397 HydrophobicContact CG1-CG1 4.01Å; V392-L398 HydrophobicContact CB-CB 4.39Å; V392-L398 HydrophobicContact CG1-CB 3.95Å
393	S	95.3	Very high	98.1	Very high	72 Å²	72	46.9 Å²	46.9	50%	0.503	24%	0.24	S	C	.	.	S	Bend	trans	-57.5	-18.8	-173.1	-73.7	0	0	0	0	116	K391 D436	K391-S393 WeakPolarHBondContact CE-OG 3.32Å; K391-S393 PolarHBondContact O-N 2.97Å; S393-D436 PolarHBondContact OG-OD2 2.96Å
394	S	97.5	Very high	98.1	Very high	49 Å²	49	51.2 Å²	51.2	34%	0.343	27%	0.27	S	S	.	.			trans	-113	113.4	174.8	-172.9	0	0	0	0	111.9	V392 K396 V397 L398	V392-S394 PolarHBondContact O-N 2.91Å; S394-K396 PolarHBondContact O-N 3.17Å; S394-K396 VanDerWaalsContact O-N 3.1Å; S394-V397 WeakPolarHBondContact O-CA 3.34Å; S394-V397 WeakPolarHBondContact O-CB 3.49Å; S394-V397 PolarHBondContact O-N 3.4Å; S394-L398 PolarHBondContact O-N 3.46Å
395	P	97.4	Very high	98.2	Very high	82 Å²	82	55 Å²	55	53%	0.532	28%	0.281	S	S	.	.	H	α-helix	trans	-56	-29.6	174.4	-28	35.7	0	0	0	113.4	Q399 M417	P395-Q399 WeakPolarHBondContact O-CB 3.46Å; P395-Q399 PolarHBondContact O-N 3.14Å; P395-M417 HydrophobicContact CB-CE 3.73Å; P395-M417 WeakPolarHBondContact O-CE 3.4Å
396	K	98.2	Very high	98.1	Very high	147 Å²	147	55.9 Å²	55.9	64%	0.639	29%	0.292	S	S	*	.	H	α-helix	trans	-69.5	-30.7	175.3	-65.8	-179.8	-178.1	174.6	0	112.6	S394 R400	S394-K396 PolarHBondContact O-N 3.17Å; S394-K396 VanDerWaalsContact O-N 3.1Å; K396-R400 VanDerWaalsContact O-CG 3.3Å; K396-R400 WeakPolarHBondContact O-CG 3.26Å; K396-R400 PolarHBondContact O-N 3.03Å
397	V	98.4	Very high	98	Very high	62 Å²	62	65 Å²	65	38%	0.376	33%	0.331	S	S	.	.	H	α-helix	trans	-71.9	-48.8	173.9	173.5	0	0	0	0	109.6	V392 S394 Q399 R400 L401	V392-V397 HydrophobicContact CG1-CB 4.06Å; V392-V397 HydrophobicContact CG1-CG1 4.01Å; S394-V397 WeakPolarHBondContact O-CA 3.34Å; S394-V397 WeakPolarHBondContact O-CB 3.49Å; S394-V397 PolarHBondContact O-N 3.4Å; V397-Q399 VanDerWaalsContact C-N 3.29Å; V397-Q399 PolarHBondContact O-N 2.83Å; V397-R400 WeakPolarHBondContact O-CB 3.44Å; V397-R400 PolarHBondContact O-N 3.01Å; V397-L401 HydrophobicContact CG1-CD1 4.1Å; V397-L401 HydrophobicContact CG1-CG 4.38Å; V397-L401 WeakPolarHBondContact O-CG 3.37Å; V397-L401 PolarHBondContact O-N 3.49Å
398	L	98.3	Very high	97.9	Very high	3 Å²	3	67.4 Å²	67.4	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-55.7	-44.7	174.6	-176.6	62.5	0	0	0	111.5	V293 V392 S394 R400 L401 V402 M417 A420	V293-L398 HydrophobicContact CG1-CD1 4.07Å; V392-L398 HydrophobicContact CB-CB 4.39Å; V392-L398 HydrophobicContact CG1-CB 3.95Å; S394-L398 PolarHBondContact O-N 3.46Å; L398-R400 VanDerWaalsContact C-N 3.26Å; L398-R400 PolarHBondContact O-N 3.47Å; L398-L401 PolarHBondContact O-N 3.38Å; L398-L401 VanDerWaalsContact O-N 3.17Å; L398-V402 HydrophobicContact CD1-CG2 4.34Å; L398-V402 WeakPolarHBondContact O-CG2 3.42Å; L398-V402 PolarHBondContact O-N 2.68Å; L398-M417 HydrophobicContact CB-CE 4.48Å; L398-M417 HydrophobicContact CB-SD 4.31Å; L398-M417 HydrophobicContact CD2-CE 4.25Å; L398-M417 HydrophobicContact CD2-SD 3.98Å; L398-M417 HydrophobicContact CG-SD 4.01Å; L398-A420 HydrophobicContact CD2-CB 3.38Å
399	Q	98.4	Very high	97.9	Very high	72 Å²	72	68.4 Å²	68.4	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-58.5	-35.6	176.6	-159.3	-158.9	29.7	0	0	113.1	P395 V397 K403 L413 M417	P395-Q399 WeakPolarHBondContact O-CB 3.46Å; P395-Q399 PolarHBondContact O-N 3.14Å; V397-Q399 VanDerWaalsContact C-N 3.29Å; V397-Q399 PolarHBondContact O-N 2.83Å; Q399-K403 WeakPolarHBondContact O-CB 3.32Å; Q399-K403 VanDerWaalsContact O-CG 3.27Å; Q399-K403 WeakPolarHBondContact O-CG 3.5Å; Q399-K403 PolarHBondContact O-N 2.73Å; Q399-L413 HydrophobicContact CB-CD1 4.48Å; Q399-L413 HydrophobicContact CG-CD1 3.79Å; Q399-L413 HydrophobicContact CG-CD2 3.86Å; Q399-L413 HydrophobicContact CG-CG 4.31Å; Q399-M417 HydrophobicContact CB-SD 4.15Å
400	R	98.4	Very high	97.8	Very high	173 Å²	173	69.9 Å²	69.9	65%	0.653	37%	0.366	S	S	*	.	H	α-helix	trans	-74.2	-41.1	176.1	-72.9	168.3	-179.3	163.3	-1.8	111.7	K396 V397 L398 K403 S404	K396-R400 VanDerWaalsContact O-CG 3.3Å; K396-R400 WeakPolarHBondContact O-CG 3.26Å; K396-R400 PolarHBondContact O-N 3.03Å; V397-R400 WeakPolarHBondContact O-CB 3.44Å; V397-R400 PolarHBondContact O-N 3.01Å; L398-R400 VanDerWaalsContact C-N 3.26Å; L398-R400 PolarHBondContact O-N 3.47Å; R400-K403 PolarHBondContact O-N 3.41Å; R400-S404 PolarHBondContact O-N 3Å
401	L	98.4	Very high	97.8	Very high	63 Å²	63	76.7 Å²	76.7	33%	0.33	40%	0.395	S	S	.	.	H	α-helix	trans	-60.5	-45.6	175.7	-67.9	172.1	0	0	0	111.5	V293 V397 L398 K403 S404 R405	V293-L401 HydrophobicContact CG1-CB 4.12Å; V293-L401 HydrophobicContact CG1-CD1 4.49Å; V293-L401 HydrophobicContact CG2-CB 4.31Å; V397-L401 HydrophobicContact CG1-CD1 4.1Å; V397-L401 HydrophobicContact CG1-CG 4.38Å; V397-L401 WeakPolarHBondContact O-CG 3.37Å; V397-L401 PolarHBondContact O-N 3.49Å; L398-L401 PolarHBondContact O-N 3.38Å; L398-L401 VanDerWaalsContact O-N 3.17Å; L401-K403 VanDerWaalsContact C-N 3.31Å; L401-K403 PolarHBondContact O-N 2.99Å; L401-S404 PolarHBondContact O-N 3.41Å; L401-S404 PolarHBondContact O-OG 3.3Å; L401-R405 PolarHBondContact O-N 2.7Å
402	V	98.6	Very high	97.8	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-37.1	176.4	178	0	0	0	0	111.7	V293 L398 Q409 L413	V293-V402 HydrophobicContact CG2-CG2 3.97Å; L398-V402 HydrophobicContact CD1-CG2 4.34Å; L398-V402 WeakPolarHBondContact O-CG2 3.42Å; L398-V402 PolarHBondContact O-N 2.68Å; V402-Q409 HydrophobicContact CG1-CB 4.29Å; V402-L413 HydrophobicContact CB-CD1 3.76Å; V402-L413 HydrophobicContact CG1-CB 4.36Å; V402-L413 HydrophobicContact CG1-CD1 3.72Å; V402-L413 HydrophobicContact CG2-CD1 4.36Å
403	K	98.4	Very high	97.8	Very high	101 Å²	101	76.1 Å²	76.1	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-70.8	-34.5	176.4	-75.6	173.9	-179.9	176.4	0	113.3	Q399 R400 L401 R405 G406	Q399-K403 WeakPolarHBondContact O-CB 3.32Å; Q399-K403 VanDerWaalsContact O-CG 3.27Å; Q399-K403 WeakPolarHBondContact O-CG 3.5Å; Q399-K403 PolarHBondContact O-N 2.73Å; R400-K403 PolarHBondContact O-N 3.41Å; L401-K403 VanDerWaalsContact C-N 3.31Å; L401-K403 PolarHBondContact O-N 2.99Å; K403-R405 PolarHBondContact O-N 3.14Å; K403-G406 PolarHBondContact O-N 3.09Å
404	S	98.2	Very high	97.9	Very high	92 Å²	92	78.6 Å²	78.6	64%	0.643	40%	0.399	S	S	*	.	H	α-helix	trans	-69.8	-20.7	179.8	67.7	0	0	0	0	113.1	R400 L401 G406	R400-S404 PolarHBondContact O-N 3Å; L401-S404 PolarHBondContact O-N 3.41Å; L401-S404 PolarHBondContact O-OG 3.3Å; S404-G406 PolarHBondContact O-N 2.92Å
405	R	98	Very high	97.9	Very high	98 Å²	98	78.8 Å²	78.8	37%	0.37	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	2.2	167.6	-54.7	-50.5	-59	-170.8	-3.4	114.3	E292 V293 M296 L401 K403 Q409	E292-R405 HydrophobicContact CB-CG 4.26Å; E292-R405 IonicContact OE2-CZ 2.85Å; E292-R405 IonicContact OE2-NE 3.18Å; E292-R405 PolarHBondContact OE2-NE 3.3Å; E292-R405 IonicContact OE2-NH2 3.2Å; E292-R405 PolarHBondContact OE2-NH2 3.42Å; V293-R405 HydrophobicContact CG2-CG 3.78Å; M296-R405 VanDerWaalsContact SD-CZ 3.51Å; M296-R405 PolarHBondContact SD-NH1 3.47Å; M296-R405 VanDerWaalsContact SD-NH1 3.41Å; M296-R405 PolarHBondContact SD-NH2 3.22Å; L401-R405 PolarHBondContact O-N 2.7Å; K403-R405 PolarHBondContact O-N 3.14Å; R405-Q409 HydrophobicContact CB-CB 3.75Å; R405-Q409 HydrophobicContact CB-CG 3.47Å; R405-Q409 VanDerWaalsContact CB-CG 3.47Å; R405-Q409 HydrophobicContact CG-CG 4.29Å
406	G	97.6	Very high	98	Very high	30 Å²	30	74.9 Å²	74.9	31%	0.309	37%	0.373	S	S	.	.			trans	85.4	-169.3	172.3	0	0	0	0	0	115.1	K403 S404 S408 Q409 S410	K403-G406 PolarHBondContact O-N 3.09Å; S404-G406 PolarHBondContact O-N 2.92Å; G406-S408 VanDerWaalsContact C-N 3.32Å; G406-S408 PolarHBondContact O-N 3.1Å; G406-Q409 PolarHBondContact O-N 3.07Å; G406-S410 WeakPolarHBondContact O-CB 3.41Å; G406-S410 PolarHBondContact O-N 3.41Å; G406-S410 PolarHBondContact O-OG 2.98Å
407	K	96.4	Very high	98	Very high	190 Å²	190	69.8 Å²	69.8	83%	0.826	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-30.9	-170.8	-66.1	-176.7	-179.2	178.3	0	113.4	Q409 K411	K407-Q409 PolarHBondContact O-N 3.07Å; K407-K411 PolarHBondContact O-N 3.36Å
408	S	96.9	Very high	98	Very high	61 Å²	61	72.3 Å²	72.3	43%	0.427	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-43.1	177.6	45.7	0	0	0	0	112.6	G406 K411	G406-S408 VanDerWaalsContact C-N 3.32Å; G406-S408 PolarHBondContact O-N 3.1Å; S408-K411 WeakPolarHBondContact O-CD 3.41Å; S408-K411 VanDerWaalsContact O-CE 3.23Å; S408-K411 WeakPolarHBondContact O-CE 3.49Å; S408-K411 WeakPolarHBondContact O-CG 3.45Å
409	Q	97.6	Very high	98	Very high	20 Å²	20	72.9 Å²	72.9	9%	0.093	37%	0.366	C	S	.	.	H	α-helix	trans	-86.4	-38.7	177.2	-64.1	-57.8	-34.9	0	0	112	E292 V402 R405 G406 K407 K411 H412	E292-Q409 HydrophobicContact CB-CG 4.26Å; E292-Q409 HydrophobicContact CG-CG 4.28Å; E292-Q409 WeakPolarHBondContact OE1-CG 3.11Å; E292-Q409 PolarHBondContact OE1-NE2 3.1Å; V402-Q409 HydrophobicContact CG1-CB 4.29Å; R405-Q409 HydrophobicContact CB-CB 3.75Å; R405-Q409 HydrophobicContact CB-CG 3.47Å; R405-Q409 VanDerWaalsContact CB-CG 3.47Å; R405-Q409 HydrophobicContact CG-CG 4.29Å; G406-Q409 PolarHBondContact O-N 3.07Å; K407-Q409 PolarHBondContact O-N 3.07Å; Q409-K411 PolarHBondContact O-N 3.17Å; Q409-K411 VanDerWaalsContact O-N 3.11Å; Q409-H412 PolarHBondContact O-N 3.43Å
410	S	97.2	Very high	98	Very high	43 Å²	43	70 Å²	70	30%	0.301	36%	0.355	S	S	.	.	H	α-helix	trans	-56.4	-31.5	-179.5	-63.1	0	0	0	0	113.8	G406 H412 L413	G406-S410 WeakPolarHBondContact O-CB 3.41Å; G406-S410 PolarHBondContact O-N 3.41Å; G406-S410 PolarHBondContact O-OG 2.98Å; S410-H412 PolarHBondContact O-N 3.2Å; S410-L413 VanDerWaalsContact O-CB 3.24Å; S410-L413 WeakPolarHBondContact O-CB 3.48Å; S410-L413 PolarHBondContact O-N 3.1Å
411	K	97.6	Very high	98	Very high	154 Å²	154	65.8 Å²	65.8	67%	0.67	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.5	175.9	79.7	-163.4	-174.1	-178.1	0	113.5	K407 S408 Q409	K407-K411 PolarHBondContact O-N 3.36Å; S408-K411 WeakPolarHBondContact O-CD 3.41Å; S408-K411 VanDerWaalsContact O-CE 3.23Å; S408-K411 WeakPolarHBondContact O-CE 3.49Å; S408-K411 WeakPolarHBondContact O-CG 3.45Å; Q409-K411 PolarHBondContact O-N 3.17Å; Q409-K411 VanDerWaalsContact O-N 3.11Å
412	H	97.9	Very high	98	Very high	68 Å²	68	69.1 Å²	69.1	32%	0.315	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	12.6	177.6	-64	-71.2	0	0	0	113.2	Y291 Q409 S410 N414 V415 Q416	Y291-H412 HydrophobicContact CD1-CB 4.21Å; Y291-H412 HydrophobicContact CE1-CB 3.46Å; Y291-H412 VanDerWaalsContact CE1-CB 3.46Å; Y291-H412 AromaticContact CE1-CD2 3.81Å; Y291-H412 AromaticContact CE1-CG 3.56Å; Q409-H412 PolarHBondContact O-N 3.43Å; S410-H412 PolarHBondContact O-N 3.2Å; H412-N414 VanDerWaalsContact C-N 3.34Å; H412-N414 PolarHBondContact O-N 3.09Å; H412-V415 HydrophobicContact CB-CG1 3.94Å; H412-V415 WeakPolarHBondContact O-CG1 3.43Å; H412-V415 PolarHBondContact O-N 3.02Å; H412-Q416 PolarHBondContact O-N 3Å; H412-Q416 VanDerWaalsContact O-N 3.14Å
413	L	98.3	Very high	97.9	Very high	19 Å²	19	69.2 Å²	69.2	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-53.1	-48.3	-176.6	178.6	64.2	0	0	0	112.8	Q399 V402 S410 V415 Q416 M417	Q399-L413 HydrophobicContact CB-CD1 4.48Å; Q399-L413 HydrophobicContact CG-CD1 3.79Å; Q399-L413 HydrophobicContact CG-CD2 3.86Å; Q399-L413 HydrophobicContact CG-CG 4.31Å; V402-L413 HydrophobicContact CB-CD1 3.76Å; V402-L413 HydrophobicContact CG1-CB 4.36Å; V402-L413 HydrophobicContact CG1-CD1 3.72Å; V402-L413 HydrophobicContact CG2-CD1 4.36Å; S410-L413 VanDerWaalsContact O-CB 3.24Å; S410-L413 WeakPolarHBondContact O-CB 3.48Å; S410-L413 PolarHBondContact O-N 3.1Å; L413-V415 PolarHBondContact O-N 3.09Å; L413-Q416 PolarHBondContact O-N 3.47Å; L413-M417 HydrophobicContact CD1-CG 3.96Å; L413-M417 HydrophobicContact CD1-SD 4.23Å; L413-M417 HydrophobicContact CG-CG 4.24Å; L413-M417 VanDerWaalsContact O-CG 3.31Å; L413-M417 WeakPolarHBondContact O-CG 3.48Å; L413-M417 PolarHBondContact O-N 3.38Å
414	N	98.3	Very high	97.8	Very high	124 Å²	124	67.9 Å²	67.9	66%	0.663	36%	0.361	S	S	*	.	H	α-helix	trans	-63.9	-39.4	-175.3	-66.5	-7.7	0	0	0	112.5	H412 M417 M418	H412-N414 VanDerWaalsContact C-N 3.34Å; H412-N414 PolarHBondContact O-N 3.09Å; N414-M417 PolarHBondContact O-N 2.88Å; N414-M418 WeakPolarHBondContact O-CB 3.3Å; N414-M418 VanDerWaalsContact O-CG 3.32Å; N414-M418 WeakPolarHBondContact O-CG 3.46Å; N414-M418 PolarHBondContact O-N 3.14Å
415	V	98.4	Very high	97.8	Very high	53 Å²	53	69.8 Å²	69.8	32%	0.321	36%	0.359	S	S	.	.	H	α-helix	trans	-72	-34.8	179.6	65.2	0	0	0	0	111.7	L288 H412 L413 M418 A419	L288-V415 HydrophobicContact CD1-CG2 3.83Å; H412-V415 HydrophobicContact CB-CG1 3.94Å; H412-V415 WeakPolarHBondContact O-CG1 3.43Å; H412-V415 PolarHBondContact O-N 3.02Å; L413-V415 PolarHBondContact O-N 3.09Å; V415-M418 HydrophobicContact CB-CE 4.36Å; V415-A419 PolarHBondContact O-N 2.87Å
416	Q	98.4	Very high	97.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-45.3	171.5	-74	-177.4	53.6	0	0	112	S287 Y291 H412 L413 M418 A419 A420	S287-Q416 WeakPolarHBondContact OG-CA 3.48Å; S287-Q416 WeakPolarHBondContact OG-CB 3.42Å; S287-Q416 PolarHBondContact OG-O 3.17Å; Y291-Q416 HydrophobicContact CD1-CG 4.24Å; Y291-Q416 HydrophobicContact CD2-CG 3.94Å; Y291-Q416 HydrophobicContact CE1-CG 4.49Å; Y291-Q416 HydrophobicContact CE2-CG 4.21Å; Y291-Q416 HydrophobicContact CG-CG 3.93Å; H412-Q416 PolarHBondContact O-N 3Å; H412-Q416 VanDerWaalsContact O-N 3.14Å; L413-Q416 PolarHBondContact O-N 3.47Å; Q416-M418 PolarHBondContact O-N 2.69Å; Q416-A419 PolarHBondContact O-N 3.33Å; Q416-A420 PolarHBondContact O-N 2.83Å; Q416-A420 VanDerWaalsContact O-N 3.14Å
417	M	98.4	Very high	97.7	Very high	40 Å²	40	67.5 Å²	67.5	20%	0.197	35%	0.352	C	S	.	.	H	α-helix	trans	-63.2	-42	177.2	-66.7	-50.4	-53.6	0	0	112.2	P395 L398 Q399 L413 N414 A419 A420 D421	P395-M417 HydrophobicContact CB-CE 3.73Å; P395-M417 WeakPolarHBondContact O-CE 3.4Å; L398-M417 HydrophobicContact CB-CE 4.48Å; L398-M417 HydrophobicContact CB-SD 4.31Å; L398-M417 HydrophobicContact CD2-CE 4.25Å; L398-M417 HydrophobicContact CD2-SD 3.98Å; L398-M417 HydrophobicContact CG-SD 4.01Å; Q399-M417 HydrophobicContact CB-SD 4.15Å; L413-M417 HydrophobicContact CD1-CG 3.96Å; L413-M417 HydrophobicContact CD1-SD 4.23Å; L413-M417 HydrophobicContact CG-CG 4.24Å; L413-M417 VanDerWaalsContact O-CG 3.31Å; L413-M417 WeakPolarHBondContact O-CG 3.48Å; L413-M417 PolarHBondContact O-N 3.38Å; N414-M417 PolarHBondContact O-N 2.88Å; M417-A419 VanDerWaalsContact C-N 3.3Å; M417-A419 PolarHBondContact O-N 3.36Å; M417-A420 PolarHBondContact O-N 2.66Å; M417-D421 WeakPolarHBondContact O-CB 3.49Å; M417-D421 PolarHBondContact O-N 2.84Å
418	M	98.3	Very high	97.6	Very high	114 Å²	114	62.9 Å²	62.9	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-63	-32.8	177.6	-76.6	-173.6	-66.5	0	0	113.4	N414 V415 Q416 K422	N414-M418 WeakPolarHBondContact O-CB 3.3Å; N414-M418 VanDerWaalsContact O-CG 3.32Å; N414-M418 WeakPolarHBondContact O-CG 3.46Å; N414-M418 PolarHBondContact O-N 3.14Å; V415-M418 HydrophobicContact CB-CE 4.36Å; Q416-M418 PolarHBondContact O-N 2.69Å; M418-K422 WeakPolarHBondContact O-CG 3.46Å; M418-K422 PolarHBondContact O-N 3.01Å
419	A	98	Very high	97.5	Very high	15 Å²	15	65.4 Å²	65.4	12%	0.124	35%	0.35	C	S	.	.	H	α-helix	trans	-75.4	-39.4	177	0	0	0	0	0	112.6	L288 V415 Q416 M417 D421 K422 L423	L288-A419 HydrophobicContact CD1-CB 4.21Å; L288-A419 HydrophobicContact CD2-CB 3.47Å; L288-A419 VanDerWaalsContact CD2-CB 3.47Å; L288-A419 HydrophobicContact CG-CB 3.41Å; L288-A419 VanDerWaalsContact CG-CB 3.41Å; V415-A419 PolarHBondContact O-N 2.87Å; Q416-A419 PolarHBondContact O-N 3.33Å; M417-A419 VanDerWaalsContact C-N 3.3Å; M417-A419 PolarHBondContact O-N 3.36Å; A419-D421 VanDerWaalsContact C-N 3.31Å; A419-D421 PolarHBondContact O-N 3.2Å; A419-K422 PolarHBondContact O-N 2.83Å; A419-L423 PolarHBondContact O-N 3.49Å; A419-L423 VanDerWaalsContact O-N 3.09Å
420	A	98.4	Very high	97.4	Very high	13 Å²	13	67.3 Å²	67.3	11%	0.107	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-41.8	173.2	0	0	0	0	0	111.4	P286 L398 Q416 M417 L423 S424	P286-A420 WeakPolarHBondContact O-CB 3.46Å; L398-A420 HydrophobicContact CD2-CB 3.38Å; Q416-A420 PolarHBondContact O-N 2.83Å; Q416-A420 VanDerWaalsContact O-N 3.14Å; M417-A420 PolarHBondContact O-N 2.66Å; A420-L423 PolarHBondContact O-N 3.17Å; A420-S424 PolarHBondContact O-N 2.88Å
421	D	98.1	Very high	97.4	Very high	84 Å²	84	66.2 Å²	66.2	45%	0.449	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-43	177.2	-166.3	51.8	0	0	0	111.8	M417 A419 L423 S424 Q425	M417-D421 WeakPolarHBondContact O-CB 3.49Å; M417-D421 PolarHBondContact O-N 2.84Å; A419-D421 VanDerWaalsContact C-N 3.31Å; A419-D421 PolarHBondContact O-N 3.2Å; D421-L423 VanDerWaalsContact C-N 3.34Å; D421-L423 PolarHBondContact O-N 2.77Å; D421-S424 WeakPolarHBondContact CA-OG 3.43Å; D421-S424 PolarHBondContact O-N 2.79Å; D421-S424 PolarHBondContact O-OG 2.71Å; D421-Q425 VanDerWaalsContact O-CG 3.31Å; D421-Q425 WeakPolarHBondContact O-CG 3.46Å; D421-Q425 PolarHBondContact O-N 3.34Å; D421-Q425 PolarHBondContact OD2-NE2 2.8Å
422	K	97.9	Very high	97.5	Very high	132 Å²	132	61.3 Å²	61.3	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-59.7	-39.4	172.4	-76.2	177.5	179.2	-176.2	0	113.6	M418 A419 Q425 C426	M418-K422 WeakPolarHBondContact O-CG 3.46Å; M418-K422 PolarHBondContact O-N 3.01Å; A419-K422 PolarHBondContact O-N 2.83Å; K422-Q425 PolarHBondContact O-N 3.21Å; K422-C426 PolarHBondContact O-N 3.31Å; K422-C426 PolarHBondContact O-SG 3.04Å; K422-C426 VanDerWaalsContact O-SG 3.35Å
423	L	98.2	Very high	97.5	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-67.1	-40.7	175.2	-77.9	170.1	0	0	0	111.6	V284 N373 Y389 A419 A420 D421 Q425 C426 F431	V284-L423 HydrophobicContact CG2-CD2 4.32Å; N373-L423 WeakPolarHBondContact O-CD2 3.49Å; Y389-L423 HydrophobicContact CD2-CD1 4.43Å; Y389-L423 HydrophobicContact CE2-CB 3.81Å; Y389-L423 HydrophobicContact CE2-CD1 3.95Å; Y389-L423 HydrophobicContact CE2-CG 4.36Å; A419-L423 PolarHBondContact O-N 3.49Å; A419-L423 VanDerWaalsContact O-N 3.09Å; A420-L423 PolarHBondContact O-N 3.17Å; D421-L423 VanDerWaalsContact C-N 3.34Å; D421-L423 PolarHBondContact O-N 2.77Å; L423-Q425 VanDerWaalsContact C-N 3.25Å; L423-Q425 PolarHBondContact O-N 2.89Å; L423-C426 VanDerWaalsContact O-CB 3.31Å; L423-C426 WeakPolarHBondContact O-CB 3.44Å; L423-C426 PolarHBondContact O-N 3.38Å; L423-C426 VanDerWaalsContact O-N 3.15Å; L423-F431 HydrophobicContact CD2-CE1 4.26Å; L423-F431 HydrophobicContact CD2-CZ 4.25Å
424	S	96.4	Very high	97.5	Very high	73 Å²	73	59.6 Å²	59.6	51%	0.51	32%	0.324	S	S	.	.	H	α-helix	trans	-68.9	-21.1	177	71.1	0	0	0	0	114.4	A420 D421	A420-S424 PolarHBondContact O-N 2.88Å; D421-S424 WeakPolarHBondContact CA-OG 3.43Å; D421-S424 PolarHBondContact O-N 2.79Å; D421-S424 PolarHBondContact O-OG 2.71Å
425	Q	96.8	Very high	97.5	Very high	131 Å²	131	54 Å²	54	61%	0.612	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.9	173.4	-71	168.2	22.9	0	0	113.4	D421 K422 L423	D421-Q425 VanDerWaalsContact O-CG 3.31Å; D421-Q425 WeakPolarHBondContact O-CG 3.46Å; D421-Q425 PolarHBondContact O-N 3.34Å; D421-Q425 PolarHBondContact OD2-NE2 2.8Å; K422-Q425 PolarHBondContact O-N 3.21Å; L423-Q425 VanDerWaalsContact C-N 3.25Å; L423-Q425 PolarHBondContact O-N 2.89Å
426	C	97.3	Very high	97.5	Very high	15 Å²	15	55 Å²	55	10%	0.101	30%	0.298	C	S	.	.	S	Bend	trans	-69.5	136.9	173.5	-66.7	0	0	0	0	110	H374 K422 L423 F431	H374-C426 PolarHBondContact NE2-SG 3.31Å; K422-C426 PolarHBondContact O-N 3.31Å; K422-C426 PolarHBondContact O-SG 3.04Å; K422-C426 VanDerWaalsContact O-SG 3.35Å; L423-C426 VanDerWaalsContact O-CB 3.31Å; L423-C426 WeakPolarHBondContact O-CB 3.44Å; L423-C426 PolarHBondContact O-N 3.38Å; L423-C426 VanDerWaalsContact O-N 3.15Å; C426-F431 HydrophobicContact CB-CE2 3.56Å; C426-F431 HydrophobicContact CB-CZ 3.55Å
427	P	96.7	Very high	97.5	Very high	65 Å²	65	57.9 Å²	57.9	42%	0.422	31%	0.311	S	S	.	.			trans	-66.2	146.5	173.4	29.9	-34.1	0	0	0	109.9	D429 M430	P427-D429 WeakPolarHBondContact CB-OD1 3.43Å; P427-D429 WeakPolarHBondContact CG-OD1 3.17Å; P427-D429 PolarHBondContact O-N 3Å; P427-D429 VanDerWaalsContact O-N 3.1Å; P427-M430 HydrophobicContact CG-CG 3.99Å; P427-M430 HydrophobicContact CG-SD 4.15Å; P427-M430 PolarHBondContact O-N 3.26Å; P427-M430 VanDerWaalsContact O-N 3.1Å
428	P	94.4	Very high	97.3	Very high	94 Å²	94	62.5 Å²	62.5	61%	0.61	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26.1	-174	-28.1	36.2	0	0	0	114.9	M430 F431 I434	P428-M430 PolarHBondContact O-N 2.83Å; P428-F431 PolarHBondContact O-N 2.9Å; P428-I434 HydrophobicContact CB-CD1 4.24Å
429	D	93.8	Very high	97.3	Very high	113 Å²	113	61.9 Å²	61.9	60%	0.604	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.8	-4.3	179.2	77.4	-49	0	0	0	114.4	K146 P427 F431	K146-D429 IonicContact NZ-OD2 3.72Å; P427-D429 WeakPolarHBondContact CB-OD1 3.43Å; P427-D429 WeakPolarHBondContact CG-OD1 3.17Å; P427-D429 PolarHBondContact O-N 3Å; P427-D429 VanDerWaalsContact O-N 3.1Å; D429-F431 VanDerWaalsContact C-N 3.34Å
430	M	95.9	Very high	97.2	Very high	60 Å²	60	64.8 Å²	64.8	30%	0.296	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-85.6	-4.8	168.4	-69	-168.1	76.9	0	0	113.9	P375 A376 P427 P428	P375-M430 HydrophobicContact CB-CB 4.34Å; P375-M430 HydrophobicContact CB-CE 4.09Å; P375-M430 HydrophobicContact CG-CB 4.03Å; P375-M430 HydrophobicContact CG-CE 3.92Å; A376-M430 HydrophobicContact CB-CE 4.1Å; P427-M430 HydrophobicContact CG-CG 3.99Å; P427-M430 HydrophobicContact CG-SD 4.15Å; P427-M430 PolarHBondContact O-N 3.26Å; P427-M430 VanDerWaalsContact O-N 3.1Å; P428-M430 PolarHBondContact O-N 2.83Å
431	F	98.1	Very high	97.2	Very high	20 Å²	20	70.1 Å²	70.1	9%	0.088	37%	0.368	C	S	.	.			trans	-119.7	141.4	179.3	-52.6	-68.7	0	0	0	109.9	V284 P375 I387 Y389 L423 C426 P428 D429 I434	V284-F431 HydrophobicContact CG2-CE1 4.17Å; P375-F431 HydrophobicContact CG-CD1 4.29Å; P375-F431 HydrophobicContact CG-CE1 3.72Å; P375-F431 HydrophobicContact CG-CZ 4.22Å; I387-F431 HydrophobicContact CG2-CD1 3.75Å; I387-F431 HydrophobicContact CG2-CE1 4.37Å; Y389-F431 HydrophobicContact CD1-CD1 4.38Å; Y389-F431 HydrophobicContact CD1-CD2 4.09Å; Y389-F431 HydrophobicContact CD1-CE1 4.08Å; Y389-F431 AromaticContact CD1-CE2 3.78Å; Y389-F431 HydrophobicContact CD1-CE2 3.78Å; Y389-F431 HydrophobicContact CD1-CG 4.37Å; Y389-F431 AromaticContact CD1-CZ 3.76Å; Y389-F431 HydrophobicContact CD1-CZ 3.76Å; Y389-F431 HydrophobicContact CE1-CE2 4.28Å; Y389-F431 HydrophobicContact CE1-CZ 4.25Å; Y389-F431 HydrophobicContact CG-CD1 4.19Å; Y389-F431 AromaticContact CG-CE1 3.93Å; Y389-F431 HydrophobicContact CG-CE1 3.93Å; Y389-F431 HydrophobicContact CG-CE2 4.45Å; Y389-F431 HydrophobicContact CG-CZ 4.07Å; L423-F431 HydrophobicContact CD2-CE1 4.26Å; L423-F431 HydrophobicContact CD2-CZ 4.25Å; C426-F431 HydrophobicContact CB-CE2 3.56Å; C426-F431 HydrophobicContact CB-CZ 3.55Å; P428-F431 PolarHBondContact O-N 2.9Å; D429-F431 VanDerWaalsContact C-N 3.34Å; F431-I434 HydrophobicContact CB-CD1 4.34Å; F431-I434 HydrophobicContact CB-CG1 3.88Å; F431-I434 HydrophobicContact CD2-CD1 4.1Å; F431-I434 HydrophobicContact CD2-CG1 4.3Å; F431-I434 HydrophobicContact CG-CG1 4.33Å
432	D	98.4	Very high	97.2	Very high	51 Å²	51	70.5 Å²	70.5	27%	0.273	37%	0.37	S	S	.	.	S	Bend	trans	-86.1	-35.4	173.5	-69.6	-93	0	0	0	111.3	R279 I386 I387	R279-D432 IonicContact CZ-OD1 2.68Å; R279-D432 IonicContact CZ-OD2 2.7Å; R279-D432 IonicContact NH1-OD1 3.97Å; R279-D432 PolarHBondContact NH1-OD1 3.45Å; R279-D432 IonicContact NH2-OD1 3.94Å; R279-D432 PolarHBondContact NH2-OD1 3.08Å; R279-D432 IonicContact NH2-OD2 3.71Å; R279-D432 PolarHBondContact NH2-OD2 2.95Å; I386-D432 WeakPolarHBondContact CA-OD2 3.47Å; I386-D432 HydrophobicContact CG2-CB 3.82Å; I387-D432 PolarHBondContact N-OD2 3.42Å; I387-D432 PolarHBondContact O-N 3.23Å
433	V	98.7	Very high	97.2	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.1	178.8	-172.6	0	0	0	0	108.6	I387 V388 Y389 L435 Y450	I387-V433 PolarHBondContact O-N 3.13Å; V388-V433 WeakPolarHBondContact CA-O 3.49Å; V388-V433 HydrophobicContact CB-CB 4.46Å; V388-V433 HydrophobicContact CG1-CB 4.2Å; V388-V433 HydrophobicContact CG1-CG1 4.37Å; V388-V433 HydrophobicContact CG2-CB 4.17Å; V388-V433 HydrophobicContact CG2-CG2 4.29Å; Y389-V433 PolarHBondContact N-O 3.14Å; V433-L435 HydrophobicContact CG1-CD2 3.7Å; V433-L435 HydrophobicContact CG1-CG 4.19Å; V433-Y450 HydrophobicContact CG2-CD1 3.42Å; V433-Y450 VanDerWaalsContact CG2-CD1 3.42Å; V433-Y450 HydrophobicContact CG2-CD2 3.63Å; V433-Y450 HydrophobicContact CG2-CE1 3.66Å; V433-Y450 HydrophobicContact CG2-CE2 3.82Å; V433-Y450 HydrophobicContact CG2-CG 3.42Å; V433-Y450 VanDerWaalsContact CG2-CG 3.42Å
434	I	98.6	Very high	97.3	Very high	48 Å²	48	64.9 Å²	64.9	25%	0.246	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.2	172.1	-57.7	177	0	0	0	107	Y389 K391 P428 F431 H446	Y389-I434 HydrophobicContact CD1-CG1 4.41Å; Y389-I434 HydrophobicContact CD1-CG2 4.11Å; K391-I434 HydrophobicContact CB-CG2 4.11Å; K391-I434 HydrophobicContact CD-CG2 3.72Å; P428-I434 HydrophobicContact CB-CD1 4.24Å; F431-I434 HydrophobicContact CB-CD1 4.34Å; F431-I434 HydrophobicContact CB-CG1 3.88Å; F431-I434 HydrophobicContact CD2-CD1 4.1Å; F431-I434 HydrophobicContact CD2-CG1 4.3Å; F431-I434 HydrophobicContact CG-CG1 4.33Å; I434-H446 PolarHBondContact O-CE1 2.93Å; I434-H446 VanDerWaalsContact O-CE1 3.3Å
435	L	98.6	Very high	97.4	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	102.3	176.7	-56.3	178.9	0	0	0	107.9	L301 V388 Y389 K391 V433 E437 A443 H446 L447	L301-L435 HydrophobicContact CD1-CD1 4.12Å; L301-L435 HydrophobicContact CD2-CD1 4.4Å; V388-L435 HydrophobicContact CG1-CD1 3.69Å; V388-L435 HydrophobicContact CG1-CG 3.97Å; Y389-L435 PolarHBondContact O-N 3.21Å; K391-L435 PolarHBondContact N-O 3.01Å; V433-L435 HydrophobicContact CG1-CD2 3.7Å; V433-L435 HydrophobicContact CG1-CG 4.19Å; L435-E437 VanDerWaalsContact C-OE2 3.27Å; L435-E437 WeakPolarHBondContact CA-OE2 3.37Å; L435-E437 WeakPolarHBondContact CB-OE2 3.5Å; L435-A443 HydrophobicContact CB-CB 4.42Å; L435-H446 HydrophobicContact CD2-CB 4.2Å; L435-L447 HydrophobicContact CD1-CB 4.2Å; L435-L447 HydrophobicContact CD1-CD2 4.22Å; L435-L447 HydrophobicContact CD2-CB 4.19Å
436	D	97.7	Very high	97.5	Very high	76 Å²	76	62.7 Å²	62.7	41%	0.406	33%	0.329	S	S	.	.			trans	-120.3	15.1	178.1	80.9	-9.6	0	0	0	114.8	K391 S393	K391-D436 HydrophobicContact CB-CB 3.96Å; K391-D436 HydrophobicContact CD-CB 3.86Å; K391-D436 HydrophobicContact CG-CB 4.02Å; K391-D436 IonicContact NZ-OD2 3.14Å; K391-D436 PolarHBondContact NZ-OD2 3.39Å; S393-D436 PolarHBondContact OG-OD2 2.96Å
437	E	98.3	Very high	97.5	Very high	59 Å²	59	62 Å²	62	28%	0.276	33%	0.325	S	S	.	.			trans	-64.9	153.8	169.3	-50	73.6	-161.4	0	0	111.2	L435 D442 A443 H446	L435-E437 VanDerWaalsContact C-OE2 3.27Å; L435-E437 WeakPolarHBondContact CA-OE2 3.37Å; L435-E437 WeakPolarHBondContact CB-OE2 3.5Å; E437-D442 HydrophobicContact CB-CB 3.87Å; E437-D442 HydrophobicContact CG-CB 3.91Å; E437-A443 HydrophobicContact CB-CB 4.19Å; E437-H446 IonicContact OE1-CE1 3.42Å; E437-H446 IonicContact OE1-CG 3.12Å; E437-H446 IonicContact OE1-ND1 3.9Å; E437-H446 PolarHBondContact OE1-ND1 2.93Å
438	N	95.5	Very high	97.6	Very high	138 Å²	138	58.9 Å²	58.9	74%	0.738	30%	0.304	S	S	*	.	S	Bend	trans	-103	-15.2	-176.7	65.5	29.2	0	0	0	114.3
439	Q	97.6	Very high	97.8	Very high	101 Å²	101	60.7 Å²	60.7	47%	0.472	31%	0.305	S	S	.	.	S	Bend	trans	-96.6	149.7	168.3	-53.6	-47.9	-60.5	0	0	109.8	E441 D442 A443	Q439-E441 VanDerWaalsContact C-N 3.31Å; Q439-D442 HydrophobicContact CB-CB 4.44Å; Q439-A443 PolarHBondContact O-N 3.01Å
440	L	96.1	Very high	98.1	Very high	76 Å²	76	58.6 Å²	58.6	40%	0.398	29%	0.289	S	S	.	.	H	α-helix	trans	-68.5	-38	177.2	174.8	63.2	0	0	0	110.5	A300 L301 A443 C444	A300-L440 HydrophobicContact CB-CD1 3.82Å; A300-L440 HydrophobicContact CB-CD2 3.97Å; L301-L440 HydrophobicContact CD2-CD1 4.18Å; L440-A443 PolarHBondContact O-N 2.82Å; L440-C444 VanDerWaalsContact O-CB 3.23Å; L440-C444 WeakPolarHBondContact O-CB 3.41Å; L440-C444 PolarHBondContact O-N 2.96Å; L440-C444 PolarHBondContact O-SG 2.73Å
441	E	97.8	Very high	98.2	Very high	125 Å²	125	55.8 Å²	55.8	58%	0.584	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-47.5	-176.7	-65.1	68.2	-154.7	0	0	111.2	Q439 C444 E445	Q439-E441 VanDerWaalsContact C-N 3.31Å; E441-C444 WeakPolarHBondContact O-CB 3.43Å; E441-C444 PolarHBondContact O-N 3.44Å; E441-E445 PolarHBondContact O-N 2.64Å
442	D	98.6	Very high	98.2	Very high	92 Å²	92	56.7 Å²	56.7	49%	0.492	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-46.3	178.6	-59.4	-27.4	0	0	0	111.4	E437 Q439 C444 E445 H446	E437-D442 HydrophobicContact CB-CB 3.87Å; E437-D442 HydrophobicContact CG-CB 3.91Å; Q439-D442 HydrophobicContact CB-CB 4.44Å; D442-C444 VanDerWaalsContact C-N 3.31Å; D442-C444 PolarHBondContact O-N 3.11Å; D442-E445 PolarHBondContact O-N 2.72Å; D442-H446 WeakPolarHBondContact O-CB 3.3Å; D442-H446 PolarHBondContact O-N 3.38Å
443	A	98.6	Very high	98.1	Very high	11 Å²	11	57.4 Å²	57.4	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-36.5	176.4	0	0	0	0	0	112.5	L435 E437 Q439 L440 L447	L435-A443 HydrophobicContact CB-CB 4.42Å; E437-A443 HydrophobicContact CB-CB 4.19Å; Q439-A443 PolarHBondContact O-N 3.01Å; L440-A443 PolarHBondContact O-N 2.82Å; A443-L447 WeakPolarHBondContact O-CB 3.43Å; A443-L447 PolarHBondContact O-N 3.39Å; A443-L447 VanDerWaalsContact O-N 3.13Å
444	C	98.6	Very high	98.1	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.034	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-44.9	175.5	-79.3	0	0	0	0	112	F304 L440 E441 D442 L447 A448	F304-C444 HydrophobicContact CD1-CB 3.67Å; F304-C444 HydrophobicContact CD2-CB 3.83Å; F304-C444 HydrophobicContact CE1-CB 3.64Å; F304-C444 WeakPolarHBondContact CE1-O 3.33Å; F304-C444 HydrophobicContact CE2-CB 3.79Å; F304-C444 HydrophobicContact CG-CB 3.76Å; F304-C444 WeakPolarHBondContact CG-SG 3.17Å; F304-C444 HydrophobicContact CZ-CB 3.7Å; F304-C444 WeakPolarHBondContact CZ-O 3.4Å; L440-C444 VanDerWaalsContact O-CB 3.23Å; L440-C444 WeakPolarHBondContact O-CB 3.41Å; L440-C444 PolarHBondContact O-N 2.96Å; L440-C444 PolarHBondContact O-SG 2.73Å; E441-C444 WeakPolarHBondContact O-CB 3.43Å; E441-C444 PolarHBondContact O-N 3.44Å; D442-C444 VanDerWaalsContact C-N 3.31Å; D442-C444 PolarHBondContact O-N 3.11Å; C444-L447 PolarHBondContact O-N 3.13Å; C444-A448 WeakPolarHBondContact O-CB 3.43Å; C444-A448 PolarHBondContact O-N 2.67Å
445	E	98.6	Very high	98.1	Very high	91 Å²	91	57.8 Å²	57.8	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-70.9	-39.7	-179.2	-163.9	65	-160	0	0	111.6	R308 E441 D442 L447 A448 E449	R308-E445 IonicContact CZ-OE1 3.95Å; R308-E445 IonicContact CZ-OE2 3.18Å; R308-E445 IonicContact NH1-OE1 3.72Å; R308-E445 IonicContact NH1-OE2 3.47Å; R308-E445 PolarHBondContact NH1-OE2 3.21Å; R308-E445 IonicContact NH2-OE1 2.72Å; R308-E445 PolarHBondContact NH2-OE1 2.76Å; R308-E445 IonicContact NH2-OE2 3.69Å; R308-E445 PolarHBondContact NH2-OE2 2.82Å; E441-E445 PolarHBondContact O-N 2.64Å; D442-E445 PolarHBondContact O-N 2.72Å; E445-L447 PolarHBondContact O-N 2.96Å; E445-A448 PolarHBondContact O-N 3.41Å; E445-A448 VanDerWaalsContact O-N 3.15Å; E445-E449 WeakPolarHBondContact O-CB 3.41Å; E445-E449 PolarHBondContact O-N 3.47Å
446	H	98.8	Very high	98	Very high	67 Å²	67	64 Å²	64	31%	0.31	31%	0.307	S	S	.	.	H	α-helix	trans	-57.9	-47	171.6	176.1	-169.4	0	0	0	111.4	I434 L435 E437 D442 A448 E449 Y450	I434-H446 PolarHBondContact O-CE1 2.93Å; I434-H446 VanDerWaalsContact O-CE1 3.3Å; L435-H446 HydrophobicContact CD2-CB 4.2Å; E437-H446 IonicContact OE1-CE1 3.42Å; E437-H446 IonicContact OE1-CG 3.12Å; E437-H446 IonicContact OE1-ND1 3.9Å; E437-H446 PolarHBondContact OE1-ND1 2.93Å; D442-H446 WeakPolarHBondContact O-CB 3.3Å; D442-H446 PolarHBondContact O-N 3.38Å; H446-A448 VanDerWaalsContact C-N 3.32Å; H446-A448 PolarHBondContact O-N 2.98Å; H446-E449 PolarHBondContact O-N 3.23Å; H446-Y450 PolarHBondContact O-N 2.88Å; H446-Y450 VanDerWaalsContact O-N 3.11Å
447	L	98.8	Very high	97.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-37.5	176	-177	57.4	0	0	0	112.3	L305 V388 L435 A443 C444 E445 L451	L305-L447 HydrophobicContact CD1-CD2 4.02Å; L305-L447 HydrophobicContact CD2-CD2 4.04Å; L305-L447 HydrophobicContact CD2-CG 4.21Å; L305-L447 HydrophobicContact CG-CD2 4.23Å; V388-L447 HydrophobicContact CG1-CD1 3.95Å; V388-L447 HydrophobicContact CG2-CD1 3.75Å; L435-L447 HydrophobicContact CD1-CB 4.2Å; L435-L447 HydrophobicContact CD1-CD2 4.22Å; L435-L447 HydrophobicContact CD2-CB 4.19Å; A443-L447 WeakPolarHBondContact O-CB 3.43Å; A443-L447 PolarHBondContact O-N 3.39Å; A443-L447 VanDerWaalsContact O-N 3.13Å; C444-L447 PolarHBondContact O-N 3.13Å; E445-L447 PolarHBondContact O-N 2.96Å; L447-L451 HydrophobicContact CD1-CD1 4.12Å; L447-L451 HydrophobicContact CD1-CG 4.3Å; L447-L451 HydrophobicContact CG-CD1 4.15Å; L447-L451 WeakPolarHBondContact O-CB 3.34Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.31Å; L447-L451 PolarHBondContact O-N 3.31Å; L447-L451 VanDerWaalsContact O-N 3.14Å
448	A	98.7	Very high	97.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.2	-44.5	177	0	0	0	0	0	112.3	F304 R308 F309 C444 E445 H446 L451 E452	F304-A448 HydrophobicContact CE1-CB 4Å; F304-A448 HydrophobicContact CZ-CB 3.96Å; R308-A448 HydrophobicContact CG-CB 4.23Å; F309-A448 HydrophobicContact CE2-CB 4.23Å; F309-A448 HydrophobicContact CZ-CB 4.18Å; C444-A448 WeakPolarHBondContact O-CB 3.43Å; C444-A448 PolarHBondContact O-N 2.67Å; E445-A448 PolarHBondContact O-N 3.41Å; E445-A448 VanDerWaalsContact O-N 3.15Å; H446-A448 VanDerWaalsContact C-N 3.32Å; H446-A448 PolarHBondContact O-N 2.98Å; A448-L451 PolarHBondContact O-N 2.96Å; A448-E452 WeakPolarHBondContact O-CG 3.36Å; A448-E452 PolarHBondContact O-N 2.95Å
449	E	98.5	Very high	97.8	Very high	133 Å²	133	53.1 Å²	53.1	62%	0.621	25%	0.251	S	S	*	.	H	α-helix	trans	-59.5	-48.1	177.9	-176.6	173.1	-156.1	0	0	110.9	E445 H446 L451 E452 V453	E445-E449 WeakPolarHBondContact O-CB 3.41Å; E445-E449 PolarHBondContact O-N 3.47Å; H446-E449 PolarHBondContact O-N 3.23Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 2.97Å; E449-E452 PolarHBondContact O-N 2.86Å; E449-V453 WeakPolarHBondContact O-CG2 3.18Å; E449-V453 PolarHBondContact O-N 3.45Å
450	Y	98.8	Very high	97.1	Very high	68 Å²	68	49 Å²	49	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-57.4	-44.8	175.7	-177.3	-85.6	0	0	0	112.2	I386 V433 H446 V453 Y454	I386-Y450 HydrophobicContact CD1-CE1 4.44Å; I386-Y450 HydrophobicContact CG2-CE1 3.9Å; V433-Y450 HydrophobicContact CG2-CD1 3.42Å; V433-Y450 VanDerWaalsContact CG2-CD1 3.42Å; V433-Y450 HydrophobicContact CG2-CD2 3.63Å; V433-Y450 HydrophobicContact CG2-CE1 3.66Å; V433-Y450 HydrophobicContact CG2-CE2 3.82Å; V433-Y450 HydrophobicContact CG2-CG 3.42Å; V433-Y450 VanDerWaalsContact CG2-CG 3.42Å; H446-Y450 PolarHBondContact O-N 2.88Å; H446-Y450 VanDerWaalsContact O-N 3.11Å; Y450-V453 PolarHBondContact O-N 3.48Å; Y450-Y454 WeakPolarHBondContact O-CB 3.37Å; Y450-Y454 PolarHBondContact O-N 2.91Å
451	L	98.6	Very high	95.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-71.8	-28.7	-179.2	-69.5	176.1	0	0	0	113.2	V281 L305 F309 L364 I386 L447 A448 E449 W455	V281-L451 HydrophobicContact CG2-CD2 3.77Å; L305-L451 HydrophobicContact CD2-CD1 3.65Å; F309-L451 HydrophobicContact CE1-CB 4.29Å; F309-L451 HydrophobicContact CE2-CB 4.3Å; F309-L451 HydrophobicContact CE2-CD1 4.21Å; F309-L451 HydrophobicContact CZ-CB 3.75Å; F309-L451 HydrophobicContact CZ-CD1 4.48Å; L364-L451 HydrophobicContact CD2-CD2 4.48Å; I386-L451 HydrophobicContact CD1-CD2 4.48Å; L447-L451 HydrophobicContact CD1-CD1 4.12Å; L447-L451 HydrophobicContact CD1-CG 4.3Å; L447-L451 HydrophobicContact CG-CD1 4.15Å; L447-L451 WeakPolarHBondContact O-CB 3.34Å; L447-L451 VanDerWaalsContact O-CG 3.28Å; L447-L451 WeakPolarHBondContact O-CG 3.31Å; L447-L451 PolarHBondContact O-N 3.31Å; L447-L451 VanDerWaalsContact O-N 3.14Å; A448-L451 PolarHBondContact O-N 2.96Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 2.97Å; L451-W455 VanDerWaalsContact O-CB 3.31Å; L451-W455 WeakPolarHBondContact O-CB 2.86Å; L451-W455 PolarHBondContact O-N 2.82Å
452	E	98	Very high	94	Very high	39 Å²	39	48.4 Å²	48.4	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-71.7	-39.5	170.7	-71.2	-69.1	-176.6	0	0	112	F309 R312 A448 E449 Y454 W455 R456	F309-E452 HydrophobicContact CE1-CG 3.96Å; F309-E452 WeakPolarHBondContact CE1-OE1 3.46Å; F309-E452 HydrophobicContact CZ-CG 4.23Å; R312-E452 IonicContact CZ-OE1 3.83Å; R312-E452 IonicContact CZ-OE2 2.61Å; R312-E452 IonicContact NH1-OE1 3.33Å; R312-E452 PolarHBondContact NH1-OE1 3.41Å; R312-E452 VanDerWaalsContact NH1-OE1 3.17Å; R312-E452 IonicContact NH1-OE2 2.83Å; R312-E452 PolarHBondContact NH1-OE2 3.16Å; R312-E452 IonicContact NH2-OE1 3.06Å; R312-E452 PolarHBondContact NH2-OE1 2.84Å; R312-E452 IonicContact NH2-OE2 3.8Å; A448-E452 WeakPolarHBondContact O-CG 3.36Å; A448-E452 PolarHBondContact O-N 2.95Å; E449-E452 PolarHBondContact O-N 2.86Å; E452-Y454 VanDerWaalsContact C-N 3.33Å; E452-W455 WeakPolarHBondContact O-CB 3.45Å; E452-W455 PolarHBondContact O-N 3.28Å; E452-R456 WeakPolarHBondContact O-CG 3.29Å; E452-R456 PolarHBondContact O-N 2.92Å
453	V	97.6	Very high	91.9	Very high	67 Å²	67	47.7 Å²	47.7	41%	0.406	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-44.2	171.3	173	0	0	0	0	110.2	E449 Y450 W455 R456 A457	E449-V453 WeakPolarHBondContact O-CG2 3.18Å; E449-V453 PolarHBondContact O-N 3.45Å; Y450-V453 PolarHBondContact O-N 3.48Å; V453-W455 PolarHBondContact O-N 3.16Å; V453-R456 PolarHBondContact O-N 3.12Å; V453-A457 WeakPolarHBondContact O-CB 3.43Å; V453-A457 PolarHBondContact O-N 3.49Å
454	Y	98.4	Very high	89.4	Confident	22 Å²	22	50.5 Å²	50.5	9%	0.086	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-40.2	174.7	-178.2	-113.2	0	0	0	112.5	V165 M278 R279 L364 I386 Y450 E452 A457 T458	V165-Y454 HydrophobicContact CG1-CE2 4.27Å; M278-Y454 HydrophobicContact CE-CD1 4.28Å; M278-Y454 HydrophobicContact CE-CE1 3.71Å; M278-Y454 HydrophobicContact SD-CE1 4.23Å; R279-Y454 PolarHBondContact N-OH 3.46Å; L364-Y454 HydrophobicContact CD2-CD1 4.14Å; I386-Y454 HydrophobicContact CD1-CD1 3.63Å; I386-Y454 HydrophobicContact CD1-CD2 4.19Å; I386-Y454 HydrophobicContact CD1-CE1 3.65Å; I386-Y454 HydrophobicContact CD1-CE2 4.23Å; I386-Y454 HydrophobicContact CD1-CG 3.93Å; Y450-Y454 WeakPolarHBondContact O-CB 3.37Å; Y450-Y454 PolarHBondContact O-N 2.91Å; E452-Y454 VanDerWaalsContact C-N 3.33Å; Y454-A457 WeakPolarHBondContact O-CB 3.5Å; Y454-A457 PolarHBondContact O-N 2.84Å; Y454-T458 HydrophobicContact CD2-CG2 4.28Å; Y454-T458 HydrophobicContact CE1-CG2 4.04Å; Y454-T458 HydrophobicContact CE2-CG2 3.7Å; Y454-T458 WeakPolarHBondContact O-CG2 3.4Å; Y454-T458 PolarHBondContact O-N 3.43Å; Y454-T458 PolarHBondContact O-OG1 2.76Å
455	W	97.4	Very high	86.7	Confident	38 Å²	38	56.5 Å²	56.5	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-44.7	174.9	-178.9	-91.6	0	0	0	112.3	M278 R312 L362 L364 L451 E452 V453 A457 T458 H459	M278-W455 HydrophobicContact CE-CE3 4.33Å; R312-W455 HydrophobicContact CB-CH2 3.84Å; R312-W455 HydrophobicContact CB-CZ2 4.42Å; R312-W455 HydrophobicContact CB-CZ3 3.92Å; R312-W455 VanDerWaalsContact CD-CZ2 3.49Å; R312-W455 HydrophobicContact CG-CH2 3.78Å; R312-W455 HydrophobicContact CG-CZ2 3.94Å; R312-W455 HydrophobicContact CG-CZ3 4.34Å; L362-W455 WeakPolarHBondContact O-CZ3 3.33Å; L364-W455 HydrophobicContact CD1-CE3 4.47Å; L364-W455 HydrophobicContact CD2-CE3 4.3Å; L364-W455 HydrophobicContact CG-CE3 3.91Å; L364-W455 HydrophobicContact CG-CZ3 4.21Å; L451-W455 VanDerWaalsContact O-CB 3.31Å; L451-W455 WeakPolarHBondContact O-CB 2.86Å; L451-W455 PolarHBondContact O-N 2.82Å; E452-W455 WeakPolarHBondContact O-CB 3.45Å; E452-W455 PolarHBondContact O-N 3.28Å; V453-W455 PolarHBondContact O-N 3.16Å; W455-A457 VanDerWaalsContact C-N 3.33Å; W455-T458 PolarHBondContact O-N 2.99Å; W455-T458 PolarHBondContact O-OG1 3.34Å; W455-H459 AromaticContact CD2-CE1 3.57Å; W455-H459 AromaticContact CD2-ND1 3.66Å; W455-H459 AromaticContact CE2-CE1 3.46Å; W455-H459 VanDerWaalsContact CE2-CE1 3.46Å; W455-H459 AromaticContact CE2-ND1 3.61Å; W455-H459 AromaticContact CE2-NE2 3.93Å; W455-H459 AromaticContact CE3-CE1 3.61Å; W455-H459 AromaticContact CG-ND1 3.98Å; W455-H459 AromaticContact CH2-CE1 3.48Å; W455-H459 VanDerWaalsContact CH2-CE1 3.48Å; W455-H459 WeakPolarHBondContact CH2-CE1 3.24Å; W455-H459 AromaticContact CH2-NE2 3.64Å; W455-H459 AromaticContact CZ2-CE1 3.42Å; W455-H459 VanDerWaalsContact CZ2-CE1 3.42Å; W455-H459 WeakPolarHBondContact CZ2-CE1 3.24Å; W455-H459 AromaticContact CZ2-NE2 3.5Å; W455-H459 AromaticContact CZ3-CE1 3.58Å; W455-H459 AromaticContact NE1-ND1 3.88Å; W455-H459 WeakPolarHBondContact O-CB 3.42Å; W455-H459 PolarHBondContact O-N 2.79Å; W455-H459 PolarHBondContact O-ND1 3.34Å
456	R	96.4	Very high	84	Confident	135 Å²	135	58.3 Å²	58.3	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-31.9	174.6	-64.9	176.5	-158.6	165.7	5.4	112.5	E167 E452 V453 T458 H459	E167-R456 HydrophobicContact CG-CB 4.21Å; E167-R456 WeakPolarHBondContact OE1-CD 3.5Å; E167-R456 IonicContact OE1-NH1 3.23Å; E452-R456 WeakPolarHBondContact O-CG 3.29Å; E452-R456 PolarHBondContact O-N 2.92Å; V453-R456 PolarHBondContact O-N 3.12Å; R456-T458 VanDerWaalsContact C-N 3.32Å; R456-T458 PolarHBondContact O-N 2.85Å; R456-H459 VanDerWaalsContact O-O 3.08Å
457	A	97	Very high	81.2	Confident	9 Å²	9	60.1 Å²	60.1	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-67.8	-30.9	174.5	0	0	0	0	0	112.8	R163 V165 K166 V453 Y454 W455	R163-A457 PolarHBondContact NH1-O 3.2Å; R163-A457 PolarHBondContact NH2-O 3.2Å; V165-A457 HydrophobicContact CG1-CB 4.31Å; K166-A457 PolarHBondContact N-O 3.47Å; V453-A457 WeakPolarHBondContact O-CB 3.43Å; V453-A457 PolarHBondContact O-N 3.49Å; Y454-A457 WeakPolarHBondContact O-CB 3.5Å; Y454-A457 PolarHBondContact O-N 2.84Å; W455-A457 VanDerWaalsContact C-N 3.33Å
458	T	96.6	Very high	78.6	Confident	3 Å²	3	65 Å²	65	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-90.6	-23.8	-179.2	57.4	0	0	0	0	114.2	V165 M278 Y454 W455 R456	V165-T458 HydrophobicContact CG1-CG2 3.51Å; M278-T458 HydrophobicContact CE-CG2 4.29Å; M278-T458 VanDerWaalsContact SD-CB 3.55Å; M278-T458 HydrophobicContact SD-CG2 3.51Å; M278-T458 VanDerWaalsContact SD-CG2 3.51Å; M278-T458 PolarHBondContact SD-OG1 3.36Å; M278-T458 VanDerWaalsContact SD-OG1 3.42Å; Y454-T458 HydrophobicContact CD2-CG2 4.28Å; Y454-T458 HydrophobicContact CE1-CG2 4.04Å; Y454-T458 HydrophobicContact CE2-CG2 3.7Å; Y454-T458 WeakPolarHBondContact O-CG2 3.4Å; Y454-T458 PolarHBondContact O-N 3.43Å; Y454-T458 PolarHBondContact O-OG1 2.76Å; W455-T458 PolarHBondContact O-N 2.99Å; W455-T458 PolarHBondContact O-OG1 3.34Å; R456-T458 VanDerWaalsContact C-N 3.32Å; R456-T458 PolarHBondContact O-N 2.85Å
459	H	93.6	Very high	75.9	Confident	33 Å²	33	71.7 Å²	71.7	15%	0.153	40%	0.398	C	S	.	.	S	Bend	trans	-102.3	128.1	-179.9	-67	77.6	0	0	0	112.1	L362 W455 R456	L362-H459 PolarHBondContact O-CE1 3.46Å; L362-H459 VanDerWaalsContact O-CE1 3.25Å; W455-H459 AromaticContact CD2-CE1 3.57Å; W455-H459 AromaticContact CD2-ND1 3.66Å; W455-H459 AromaticContact CE2-CE1 3.46Å; W455-H459 VanDerWaalsContact CE2-CE1 3.46Å; W455-H459 AromaticContact CE2-ND1 3.61Å; W455-H459 AromaticContact CE2-NE2 3.93Å; W455-H459 AromaticContact CE3-CE1 3.61Å; W455-H459 AromaticContact CG-ND1 3.98Å; W455-H459 AromaticContact CH2-CE1 3.48Å; W455-H459 VanDerWaalsContact CH2-CE1 3.48Å; W455-H459 WeakPolarHBondContact CH2-CE1 3.24Å; W455-H459 AromaticContact CH2-NE2 3.64Å; W455-H459 AromaticContact CZ2-CE1 3.42Å; W455-H459 VanDerWaalsContact CZ2-CE1 3.42Å; W455-H459 WeakPolarHBondContact CZ2-CE1 3.24Å; W455-H459 AromaticContact CZ2-NE2 3.5Å; W455-H459 AromaticContact CZ3-CE1 3.58Å; W455-H459 AromaticContact NE1-ND1 3.88Å; W455-H459 WeakPolarHBondContact O-CB 3.42Å; W455-H459 PolarHBondContact O-N 2.79Å; W455-H459 PolarHBondContact O-ND1 3.34Å; R456-H459 VanDerWaalsContact O-O 3.08Å
460	L	83.9	Confident	73.3	Confident	14 Å²	14	71 Å²	71	7%	0.073	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-68.9	136.6	171.4	-80.2	167.4	0	0	0	110.4	I171 G462 N463	I171-L460 HydrophobicContact CD1-CD1 4.1Å; I171-L460 HydrophobicContact CG1-CD1 4.08Å; L460-G462 PolarHBondContact O-N 2.99Å; L460-N463 HydrophobicContact CB-CB 4.36Å; L460-N463 PolarHBondContact O-N 3.29Å
461	P	67.9	Low	70.5	Confident	121 Å²	121	74.6 Å²	74.6	79%	0.786	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	122.5	172	25.6	-32.6	0	0	0	109.4
462	G	60.7	Low	67.8	Low	67 Å²	67	82.4 Å²	82.4	69%	0.691	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	105	-15.4	-172.6	0	0	0	0	0	115.3	L460	L460-G462 PolarHBondContact O-N 2.99Å
463	N	54.1	Low	65.1	Low	78 Å²	78	85 Å²	85	42%	0.417	48%	0.475	S	S	.	.			trans	-93	-1.3	175	-98.7	53.9	0	0	0	114	L460	L460-N463 HydrophobicContact CB-CB 4.36Å; L460-N463 PolarHBondContact O-N 3.29Å
464	T	47.1	Very low	62.5	Low	69 Å²	69	89.1 Å²	89.1	42%	0.423	50%	0.495	S	S	.	.	S	Bend	trans	-65.4	123	166.1	41.5	0	0	0	0	109.1	L466	T464-L466 PolarHBondContact O-N 3.02Å
465	P	41.2	Very low	59.8	Low	131 Å²	131	96.7 Å²	96.7	85%	0.851	53%	0.533	S	S	*	.			trans	-63.9	103.7	173.4	26.1	-32.5	0	0	0	108.7
466	L	42	Very low	56.9	Low	129 Å²	129	103.9 Å²	103.9	68%	0.675	58%	0.581	S	S	*	*			trans	-65.1	136.6	172.6	-69.7	174.5	0	0	0	108.5	T464 P468	T464-L466 PolarHBondContact O-N 3.02Å; L466-P468 WeakPolarHBondContact O-CD 3.29Å
467	N	39.1	Very low	54.9	Low	106 Å²	106	102.4 Å²	102.4	57%	0.567	59%	0.585	S	S	*	*			trans	-65.4	119.9	178.9	-159.3	-10.6	0	0	0	108.2	L469 L470	N467-L469 PolarHBondContact O-N 3.46Å; N467-L470 PolarHBondContact O-N 3.4Å; N467-L470 VanDerWaalsContact O-N 3.1Å
468	P	44.7	Very low	52.7	Low	103 Å²	103	107.3 Å²	107.3	67%	0.669	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-13.4	-168.4	-28.4	35.9	0	0	0	115.9	L466 L470	L466-P468 WeakPolarHBondContact O-CD 3.29Å; P468-L470 VanDerWaalsContact C-N 3.31Å; P468-L470 PolarHBondContact O-N 2.89Å
469	L	42.3	Very low	50.3	Low	140 Å²	140	113.1 Å²	113.1	73%	0.733	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-10	178.7	-64.1	173.8	0	0	0	114.4	N467	N467-L469 PolarHBondContact O-N 3.46Å
470	L	43.8	Very low	47.7	Very low	118 Å²	118	117.8 Å²	117.8	62%	0.618	67%	0.674	S	S	*	*	S	Bend	trans	-93.7	-20.3	-179.3	-72.8	172.1	0	0	0	114.6	N467 P468 Q472 S473	N467-L470 PolarHBondContact O-N 3.4Å; N467-L470 VanDerWaalsContact O-N 3.1Å; P468-L470 VanDerWaalsContact C-N 3.31Å; P468-L470 PolarHBondContact O-N 2.89Å; L470-Q472 VanDerWaalsContact C-N 3.28Å; L470-Q472 PolarHBondContact O-N 3Å; L470-S473 PolarHBondContact O-N 3.36Å
471	E	40.3	Very low	45.5	Very low	144 Å²	144	124.3 Å²	124.3	67%	0.673	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-66.3	-29.1	178.3	-75	-169.5	142.9	0	0	112.9	S473 L474	E471-S473 PolarHBondContact O-N 2.62Å; E471-L474 PolarHBondContact O-N 3.36Å
472	Q	42	Very low	44	Very low	165 Å²	165	124.5 Å²	124.5	77%	0.771	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-67.8	-13.8	176.8	-76.1	-173.2	-8.6	0	0	114.1	L470	L470-Q472 VanDerWaalsContact C-N 3.28Å; L470-Q472 PolarHBondContact O-N 3Å
473	S	40.8	Very low	42.8	Very low	92 Å²	92	128.6 Å²	128.6	64%	0.643	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-94.4	0.6	-180	-167.2	0	0	0	0	114.4	L470 E471	L470-S473 PolarHBondContact O-N 3.36Å; E471-S473 PolarHBondContact O-N 2.62Å
474	L	42.5	Very low	41.9	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	73%	0.73	S	S	*	*	S	Bend	trans	-119.3	10.5	-178.8	-74.8	168.1	0	0	0	113.5	E471	E471-L474 PolarHBondContact O-N 3.36Å
475	M	41.9	Very low	41.5	Very low	181 Å²	181	137.8 Å²	137.8	89%	0.892	76%	0.755	S	S	*	*			trans	-122.8	24.9	174.5	-73.7	-166.9	161.6	0	0	112.8
476	T	37.4	Very low	41.5	Very low	189 Å²	189	138.4 Å²	138.4	100%	1.16	75%	0.747	S	S	*	*			trans	-132.5	0	168	-45.6	0	0	0	0	109.1

Retrieved 476 of 476 residues in 349.4 ms (Link to these results)

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