A0A096MST9_PAPAN Loading...

E3 ubiquitin-protein ligase HECTD3

AlphaFold DB , UniProt , Accession A0A096MST9, Species PAPAN (Papio anubis, Olive baboon), Gene HECTD3, Length 921 aa.

						>A0A096MST9_PAPAN|A0A096MST9|HECTD3
MFECRSTQCNTVSAGGALSPEHTAKAGQRRGRAWWEAPSAVAPAVHGVGSPLGAHLRHLAMAGPGPGAVLESPRQLLGRVRFLAEAARSLRAGRPLPAALAFVPQEVLYKLYKDPAGPSRVLLPVWEAEGLGLRVGAAGPAPGTGSGPLRAARDSIELRRGACVRTTGEELCNGHGLWVKLTKEQLAEHLGDCGLQEGWLLVCRPAEGGARLVPIDTPNHLQRQQQLFGVDYRPVLRWEQVVDLTYSHRLGSRPQPAEAYAEAVQRLLYVPPTWTYECDEDLIHFLYDHLGKEDENLGSVKQYVESIDVSSYTEEFNVSCLTDSNADTYWESDGSQCQHWVRLTMKKGTIVKKLLLTVDTTDDNFMPKRVVVYGGEGDNLKKLSDVSIDETLIGDVCVLEDMTVHLPIIEIRIVECRDDGIDVRLRGVKIKSSRQRELGLNADLFQPTSLVRYPRLEGTDPEVLYRRAVLLQRFIKILDSVLHHLVPAWDHTLGTFSEIKQVKQFLLLSRQRPGLVAQCLRDSESSKPSFMPRLYINRRLAMEHRACPSRDPACKNAVFTQVYEGLKPSDKYEKPLDYRWPMRYDQWWECKFIAEGIIDQGGGFRDSLADMSEELCPSSADTPVPLPFFVRTANQGNGTGEARDMYVPNPSCRDFAKYEWIGQLMGAALRGKEFLVLALPGFVWKQLSGEEVSWSKDFPAVDSVLVKLLEVMEGMDKETFEFKFGKELTFTTVLSDQQVVELIPGGAGIIVGYGDRSRFIQLVQKARLEESKEQVAAMQAGLLKVVPQAVLDLLTWQELEKKVCGDPEVTVDALRKLTRFEDFEPSDSRVQYFWEALNNFTNEDRSRFLRFVTGRSRLPARIYIYPDKLGYETTDALPESSTCSSTLFLPHYASAKVCEEKLRYAAYNCVAIDTDMSPWEE
					

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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	27.6	Very low	25.6	Very low	237 Å²	237	157.2 Å²	157.2	100%	1.167	83%	0.827	S	S	*	*				0	153	0	-98.9	178.8	-99.4	0	0	108.6
2	F	24.5	Very low	25.6	Very low	184 Å²	184	156.4 Å²	156.4	81%	0.807	83%	0.833	S	S	*	*			trans	-12	146	161.7	-67.3	-85.7	0	0	0	118.4
3	E	24	Very low	25.8	Very low	145 Å²	145	153 Å²	153	68%	0.678	83%	0.829	S	S	*	*			cis	-165	172.8	-13.2	-147.6	-173.1	150.8	0	0	108.9
4	C	23.6	Very low	25.9	Very low	110 Å²	110	149.6 Å²	149.6	74%	0.743	83%	0.832	S	S	*	*			trans	-72.7	152.8	164.7	-67.5	0	0	0	0	111.9
5	R	25.2	Very low	25.9	Very low	228 Å²	228	145.1 Å²	145.1	86%	0.86	83%	0.833	S	S	*	*				-167.4	151.2	122.4	-103	154.9	-153.1	-115.3	3.6	113.5
6	S	27.9	Very low	25.8	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	83%	0.833	S	S	*	*			trans	-99.6	165.8	173.3	51.6	0	0	0	0	111
7	T	24.7	Very low	25.8	Very low	146 Å²	146	138.2 Å²	138.2	90%	0.896	83%	0.829	S	S	*	*			trans	-144.2	156.8	154.3	-11.9	0	0	0	0	110.5
8	Q	26.1	Very low	25.8	Very low	175 Å²	175	140.2 Å²	140.2	82%	0.818	83%	0.833	S	S	*	*			trans	-123.7	166.5	-171.5	-98.6	-175.2	-24.1	0	0	111.7
9	C	25.2	Very low	25.8	Very low	105 Å²	105	138.2 Å²	138.2	71%	0.709	83%	0.827	S	S	*	*			trans	66.8	135.8	158.5	-65.4	0	0	0	0	116.9
10	N	24.6	Very low	26.8	Very low	158 Å²	158	136.1 Å²	136.1	85%	0.845	82%	0.817	S	S	*	*				-154.8	167.5	62.9	-97.7	-40.3	0	0	0	114.6
11	T	28.5	Very low	26.9	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	82%	0.816	S	S	*	*			trans	-98.8	166.2	168.1	50	0	0	0	0	111.4
12	V	26	Very low	27	Very low	148 Å²	148	134.1 Å²	134.1	90%	0.897	80%	0.796	S	S	*	*			trans	-169.9	164.3	144.9	138.4	0	0	0	0	108.8
13	S	27.2	Very low	27	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	79%	0.791	S	S	*	*			trans	-130.6	-174.3	-158.8	59	0	0	0	0	115
14	A	28.1	Very low	27.2	Very low	106 Å²	106	127.1 Å²	127.1	88%	0.876	79%	0.785	S	S	*	*			trans	100.9	147.5	169.8	0	0	0	0	0	117.2
15	G	25.3	Very low	27.3	Very low	81 Å²	81	131.6 Å²	131.6	84%	0.835	79%	0.792	S	S	*	*			cis	156.2	132	-13	0	0	0	0	0	115.8
16	G	23.8	Very low	27.4	Very low	82 Å²	82	125.3 Å²	125.3	85%	0.845	79%	0.789	S	S	*	*			trans	100.7	163.2	169.3	0	0	0	0	0	116.3
17	A	27	Very low	27.2	Very low	91 Å²	91	123.5 Å²	123.5	75%	0.752	79%	0.787	S	S	*	*			cis	-166.2	153.6	-14.3	0	0	0	0	0	113
18	L	25.9	Very low	27.3	Very low	174 Å²	174	124.2 Å²	124.2	91%	0.911	78%	0.781	S	S	*	*			trans	73.5	168.3	155.4	-68.6	162.3	0	0	0	121
19	S	24.7	Very low	27.4	Very low	103 Å²	103	125.4 Å²	125.4	72%	0.72	78%	0.778	S	S	*	*			trans	-145	-159.2	-158	59.6	0	0	0	0	109.2
20	P	46.6	Very low	27.4	Very low	95 Å²	95	131.9 Å²	131.9	62%	0.617	79%	0.787	S	S	*	*			cis	-143.4	-166	6.6	45.6	-25	0	0	0	117
21	E	28.3	Very low	27.4	Very low	173 Å²	173	127.8 Å²	127.8	81%	0.808	78%	0.782	S	S	*	*			trans	69.3	142.7	154.5	-78.3	165.8	-148.5	0	0	119.7
22	H	29.3	Very low	27.2	Very low	159 Å²	159	132.9 Å²	132.9	74%	0.736	79%	0.787	S	S	*	*			cis	-143.9	-163.6	-7.2	-146.9	29	0	0	0	108.8
23	T	25.6	Very low	27.1	Very low	116 Å²	116	130 Å²	130	71%	0.712	78%	0.779	S	S	*	*			cis	-160.9	166.8	24.2	-25.6	0	0	0	0	112.9
24	A	27.9	Very low	26.9	Very low	67 Å²	67	134.1 Å²	134.1	55%	0.554	78%	0.777	S	S	*	*			trans	-16.3	158.8	150.2	0	0	0	0	0	121.3
25	K	25.4	Very low	26.6	Very low	203 Å²	203	139.9 Å²	139.9	88%	0.883	78%	0.776	S	S	*	*			cis	-171.9	-176.8	-2.2	-104	163.8	-167.6	169	0	108.6
26	A	27.6	Very low	26.5	Very low	97 Å²	97	144.9 Å²	144.9	80%	0.802	78%	0.778	S	S	*	*				-179.4	115.7	-68.2	0	0	0	0	0	112
27	G	23.9	Very low	26.6	Very low	71 Å²	71	145.6 Å²	145.6	73%	0.732	78%	0.776	S	S	*	*			trans	-168.5	122.4	169	0	0	0	0	0	112.4
28	Q	27.1	Very low	26.6	Very low	162 Å²	162	147 Å²	147	76%	0.757	78%	0.778	S	S	*	*				81.2	132.6	61.8	-77.8	-154.1	20.2	0	0	113.7
29	R	27	Very low	26.8	Very low	199 Å²	199	144.5 Å²	144.5	75%	0.751	77%	0.774	S	S	*	*			cis	-167.6	167.4	4.4	-140.8	-180	-172.8	161.3	-9.3	114.1
30	R	24.9	Very low	26.8	Very low	241 Å²	241	144.2 Å²	144.2	91%	0.909	78%	0.778	S	S	*	*			trans	87.1	128.4	165	-55.8	176	179.4	-173.2	0.1	116
31	G	25.3	Very low	25.9	Very low	72 Å²	72	146.9 Å²	146.9	74%	0.742	79%	0.793	S	S	*	*			cis	112	117.6	-21.5	0	0	0	0	0	117.7
32	R	24.1	Very low	25.7	Very low	238 Å²	238	142.7 Å²	142.7	90%	0.898	79%	0.788	S	S	*	*			trans	-164.5	145.7	145.9	-131.1	175.5	-68.9	-138.5	6	110.8
33	A	24.3	Very low	25.4	Very low	88 Å²	88	140.9 Å²	140.9	73%	0.727	79%	0.79	S	S	*	*			trans	-140.7	142.4	176.9	0	0	0	0	0	110.5
34	W	22.6	Very low	25.4	Very low	198 Å²	198	139.5 Å²	139.5	75%	0.75	79%	0.79	S	S	*	*			trans	-156.6	146.3	166.2	-64.8	91.9	0	0	0	105.1
35	W	22.9	Very low	25.2	Very low	227 Å²	227	142.8 Å²	142.8	86%	0.86	80%	0.803	S	S	*	*			cis	-141.5	163.6	22.2	-71.5	82.3	0	0	0	112.1
36	E	21.6	Very low	25.3	Very low	186 Å²	186	142.2 Å²	142.2	87%	0.869	80%	0.803	S	S	*	*			trans	-107.9	159.8	165.9	-68.8	-173.4	121.1	0	0	112
37	A	25.8	Very low	25.1	Very low	98 Å²	98	140.5 Å²	140.5	81%	0.81	80%	0.795	S	S	*	*			trans	68.6	162.4	155.7	0	0	0	0	0	118.4
38	P	28.6	Very low	25.2	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	80%	0.803	S	S	*	*			cis	-115.4	167.3	-1.5	40.3	-29.5	0	0	0	114.9
39	S	30.2	Very low	25.3	Very low	120 Å²	120	140 Å²	140	84%	0.839	80%	0.803	S	S	*	*			trans	-73.3	132.8	168.7	55.1	0	0	0	0	112
40	A	24.1	Very low	25.7	Very low	97 Å²	97	133.7 Å²	133.7	80%	0.802	79%	0.789	S	S	*	*			trans	-122.4	131.6	163.3	0	0	0	0	0	109.2
41	V	27.7	Very low	26.4	Very low	152 Å²	152	127.4 Å²	127.4	92%	0.921	78%	0.78	S	S	*	*			trans	-79.9	129.2	-177.3	177.9	0	0	0	0	110.1
42	A	23.3	Very low	27	Very low	85 Å²	85	126.6 Å²	126.6	70%	0.702	76%	0.758	S	S	*	*			trans	-125.4	145	166.1	0	0	0	0	0	108.8
43	P	24.5	Very low	27.4	Very low	120 Å²	120	117.3 Å²	117.3	78%	0.779	74%	0.737	S	S	*	*			trans	-72.3	144.8	-168.5	28.6	-35.4	0	0	0	112.9	V45	P43-V45 PolarHBondContact O-N 3.07Å
44	A	24.1	Very low	28.1	Very low	87 Å²	87	116.2 Å²	116.2	72%	0.719	73%	0.727	S	S	*	*			trans	-72.7	111.7	176	0	0	0	0	0	111.2
45	V	24.5	Very low	29	Very low	136 Å²	136	109.8 Å²	109.8	82%	0.824	71%	0.705	S	S	*	*			trans	-86.2	110.7	161.6	178.8	0	0	0	0	107.5	P43 G47	P43-V45 PolarHBondContact O-N 3.07Å; V45-G47 VanDerWaalsContact C-N 3.29Å; V45-G47 PolarHBondContact O-N 3.25Å
46	H	26.7	Very low	29.9	Very low	192 Å²	192	101.7 Å²	101.7	89%	0.889	68%	0.679	S	S	*	*			trans	-71.4	83.1	173.5	-87.2	-82.2	0	0	0	110.7
47	G	24.6	Very low	30.7	Very low	60 Å²	60	102.1 Å²	102.1	62%	0.619	67%	0.672	S	S	*	*			trans	-96.1	139.8	163.4	0	0	0	0	0	110.9	V45	V45-G47 VanDerWaalsContact C-N 3.29Å; V45-G47 PolarHBondContact O-N 3.25Å
48	V	26.2	Very low	31.4	Very low	150 Å²	150	104.3 Å²	104.3	91%	0.909	67%	0.665	S	S	*	*			trans	-58.7	138.6	174	179.2	0	0	0	0	109.6	S50	V48-S50 PolarHBondContact O-N 2.8Å
49	G	28.2	Very low	31.9	Very low	74 Å²	74	100.8 Å²	100.8	76%	0.763	64%	0.64	S	S	*	*			trans	-61.2	105	-175.9	0	0	0	0	0	112.5
50	S	34.6	Very low	32.2	Very low	65 Å²	65	98.6 Å²	98.6	46%	0.455	63%	0.629	S	S	.	*			trans	-64.8	137.6	176.6	174	0	0	0	0	111.4	V48 L52 G53	V48-S50 PolarHBondContact O-N 2.8Å; S50-L52 PolarHBondContact O-N 2.99Å; S50-L52 VanDerWaalsContact O-N 3.13Å; S50-L52 WeakPolarHBondContact OG-CD1 3.31Å; S50-L52 PolarHBondContact OG-N 3.28Å; S50-G53 PolarHBondContact O-N 2.78Å
51	P	39.5	Very low	32.7	Very low	109 Å²	109	101.9 Å²	101.9	71%	0.708	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-31.7	173.5	-28.9	36.3	0	0	0	114.2	G53 A54 H55	P51-G53 PolarHBondContact O-N 2.86Å; P51-A54 PolarHBondContact O-N 3.18Å; P51-H55 PolarHBondContact O-N 3.12Å
52	L	38.7	Very low	33.1	Very low	56 Å²	56	97.5 Å²	97.5	29%	0.293	61%	0.609	S	S	.	*	H	α-helix	trans	-55.3	-35.5	174.3	-78.6	85.6	0	0	0	111.8	S50 A54 H55 L56 V80 F496	S50-L52 PolarHBondContact O-N 2.99Å; S50-L52 VanDerWaalsContact O-N 3.13Å; S50-L52 WeakPolarHBondContact OG-CD1 3.31Å; S50-L52 PolarHBondContact OG-N 3.28Å; L52-A54 PolarHBondContact O-N 2.86Å; L52-H55 PolarHBondContact O-N 3.28Å; L52-L56 HydrophobicContact CB-CD1 4.2Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 WeakPolarHBondContact O-CD1 3.44Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 2.97Å; L52-V80 HydrophobicContact CD2-CG1 4.43Å; L52-F496 HydrophobicContact CD2-CD2 4.35Å; L52-F496 HydrophobicContact CD2-CE2 4.25Å
53	G	32.6	Very low	33.5	Very low	43 Å²	43	96.6 Å²	96.6	44%	0.443	61%	0.608	S	S	.	*	H	α-helix	trans	-68.5	-18.4	-179	0	0	0	0	0	114.8	S50 P51 R57	S50-G53 PolarHBondContact O-N 2.78Å; P51-G53 PolarHBondContact O-N 2.86Å; G53-R57 WeakPolarHBondContact O-CG 3.37Å; G53-R57 PolarHBondContact O-NE 2.72Å
54	A	38.8	Very low	33.8	Very low	64 Å²	64	95.8 Å²	95.8	53%	0.529	60%	0.603	S	S	.	*	H	α-helix	trans	-93.7	-47.7	170.5	0	0	0	0	0	111	P51 L52 L56 R57 H58	P51-A54 PolarHBondContact O-N 3.18Å; L52-A54 PolarHBondContact O-N 2.86Å; A54-L56 VanDerWaalsContact C-N 3.35Å; A54-L56 PolarHBondContact O-N 3.06Å; A54-R57 WeakPolarHBondContact O-CB 3.41Å; A54-R57 PolarHBondContact O-N 2.95Å; A54-H58 PolarHBondContact O-N 2.72Å
55	H	41.1	Very low	34.2	Very low	64 Å²	64	94 Å²	94	30%	0.296	59%	0.593	S	S	.	*	H	α-helix	trans	-58.7	-42.5	-179.2	-166	85.2	0	0	0	112.3	P51 L52 R57 H58 L59	P51-H55 PolarHBondContact O-N 3.12Å; L52-H55 PolarHBondContact O-N 3.28Å; H55-R57 PolarHBondContact O-N 2.76Å; H55-H58 WeakPolarHBondContact O-CB 3.37Å; H55-H58 PolarHBondContact O-N 3.07Å; H55-H58 VanDerWaalsContact O-N 3.1Å; H55-L59 PolarHBondContact O-N 2.7Å; H55-L59 VanDerWaalsContact O-N 3.1Å
56	L	42.2	Very low	34.4	Very low	57 Å²	57	90.5 Å²	90.5	30%	0.298	57%	0.573	S	S	.	*	H	α-helix	trans	-67.2	-18.7	175.9	-70.2	165.4	0	0	0	114.2	L52 A54 L59 A60 L77	L52-L56 HydrophobicContact CB-CD1 4.2Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 WeakPolarHBondContact O-CD1 3.44Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 2.97Å; A54-L56 VanDerWaalsContact C-N 3.35Å; A54-L56 PolarHBondContact O-N 3.06Å; L56-L59 HydrophobicContact CD2-CD1 4.07Å; L56-A60 PolarHBondContact O-N 2.99Å; L56-L77 HydrophobicContact CD1-CD1 3.6Å; L56-L77 HydrophobicContact CD2-CD1 4.26Å
57	R	37.9	Very low	34.6	Very low	195 Å²	195	83.6 Å²	83.6	74%	0.736	55%	0.554	S	S	*	*	H	α-helix	trans	-77.1	-30	172.1	-66.3	178.8	-173.8	-158.8	-0.6	111.7	G53 A54 H55 M61	G53-R57 WeakPolarHBondContact O-CG 3.37Å; G53-R57 PolarHBondContact O-NE 2.72Å; A54-R57 WeakPolarHBondContact O-CB 3.41Å; A54-R57 PolarHBondContact O-N 2.95Å; H55-R57 PolarHBondContact O-N 2.76Å; R57-M61 VanDerWaalsContact O-CG 3.32Å; R57-M61 WeakPolarHBondContact O-CG 3.37Å
58	H	41.8	Very low	34.8	Very low	143 Å²	143	84.1 Å²	84.1	66%	0.662	55%	0.553	S	S	*	*	H	α-helix	trans	-71.7	-43.2	169.9	-104	-93.7	0	0	0	111.6	A54 H55 A60 M61 A62	A54-H58 PolarHBondContact O-N 2.72Å; H55-H58 WeakPolarHBondContact O-CB 3.37Å; H55-H58 PolarHBondContact O-N 3.07Å; H55-H58 VanDerWaalsContact O-N 3.1Å; H58-A60 PolarHBondContact O-N 2.95Å; H58-A60 VanDerWaalsContact O-N 3.15Å; H58-M61 PolarHBondContact O-N 3.21Å; H58-A62 PolarHBondContact O-N 3.21Å
59	L	39.3	Very low	35.1	Very low	47 Å²	47	83.4 Å²	83.4	25%	0.246	55%	0.548	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.1	174.7	-71	165	0	0	0	114	H55 L56	H55-L59 PolarHBondContact O-N 2.7Å; H55-L59 VanDerWaalsContact O-N 3.1Å; L56-L59 HydrophobicContact CD2-CD1 4.07Å
60	A	36.5	Very low	35.5	Very low	75 Å²	75	86.8 Å²	86.8	62%	0.62	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.9	171.4	0	0	0	0	0	113.9	L56 H58	L56-A60 PolarHBondContact O-N 2.99Å; H58-A60 PolarHBondContact O-N 2.95Å; H58-A60 VanDerWaalsContact O-N 3.15Å
61	M	33.3	Very low	36.5	Very low	166 Å²	166	86.7 Å²	86.7	82%	0.818	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-24.7	-179	-64.8	-73.9	-73.9	0	0	112.3	R57 H58	R57-M61 VanDerWaalsContact O-CG 3.32Å; R57-M61 WeakPolarHBondContact O-CG 3.37Å; H58-M61 PolarHBondContact O-N 3.21Å
62	A	36.5	Very low	37.9	Very low	59 Å²	59	83.7 Å²	83.7	49%	0.488	52%	0.522	S	S	.	.	S	Bend	trans	-73.8	135.8	165.6	0	0	0	0	0	110.4	H58	H58-A62 PolarHBondContact O-N 3.21Å
63	G	31.6	Very low	39.9	Very low	66 Å²	66	85.6 Å²	85.6	68%	0.68	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-70.2	155	171.4	0	0	0	0	0	111.7
64	P	31.5	Very low	42.3	Very low	104 Å²	104	89.2 Å²	89.2	68%	0.675	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-69.9	141.2	172.9	30.5	-34.2	0	0	0	110.8	L70	P64-L70 HydrophobicContact CG-CD2 4.28Å
65	G	32.2	Very low	44.4	Very low	49 Å²	49	87.8 Å²	87.8	51%	0.505	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-63.3	138.6	163.9	0	0	0	0	0	110.4	G67	G65-G67 PolarHBondContact O-N 2.92Å
66	P	29	Very low	46.5	Very low	62 Å²	62	86 Å²	86	40%	0.403	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	110	-171.7	32.1	-34.3	0	0	0	111.4	S387	P66-S387 CarbonylContact O-C 3.33Å
67	G	29.8	Very low	48.7	Very low	47 Å²	47	85.5 Å²	85.5	49%	0.485	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	167.5	-35.6	174.9	0	0	0	0	0	114.2	G65	G65-G67 PolarHBondContact O-N 2.92Å
68	A	30.1	Very low	51.2	Low	72 Å²	72	76.2 Å²	76.2	60%	0.595	48%	0.475	S	S	*	.	S	Bend	trans	-67	139.4	172.4	0	0	0	0	0	111.1	L70	A68-L70 PolarHBondContact O-N 3.3Å; A68-L70 VanDerWaalsContact O-N 3.09Å
69	V	32.6	Very low	53.6	Low	135 Å²	135	70.3 Å²	70.3	82%	0.818	45%	0.447	S	S	*	.			trans	-54.2	119.9	156.5	174	0	0	0	0	106.1	E71	V69-E71 VanDerWaalsContact C-N 3.27Å; V69-E71 WeakPolarHBondContact O-CG 3.32Å; V69-E71 PolarHBondContact O-N 3.47Å
70	L	36.7	Very low	56.1	Low	144 Å²	144	68.7 Å²	68.7	75%	0.754	44%	0.439	S	S	*	.			trans	-56.6	82.1	-167.4	-107.5	156.1	0	0	0	112.9	P64 A68 S72	P64-L70 HydrophobicContact CG-CD2 4.28Å; A68-L70 PolarHBondContact O-N 3.3Å; A68-L70 VanDerWaalsContact O-N 3.09Å; L70-S72 PolarHBondContact O-N 2.72Å; L70-S72 VanDerWaalsContact O-N 3.13Å
71	E	53.8	Low	58.7	Low	64 Å²	64	69.6 Å²	69.6	30%	0.299	43%	0.426	S	S	.	.			trans	-65.2	115.4	173.4	-64.4	-145.8	167.8	0	0	106.9	V69 Q75 R79	V69-E71 VanDerWaalsContact C-N 3.27Å; V69-E71 WeakPolarHBondContact O-CG 3.32Å; V69-E71 PolarHBondContact O-N 3.47Å; E71-Q75 HydrophobicContact CB-CB 4.43Å; E71-Q75 HydrophobicContact CB-CG 4.42Å; E71-R79 IonicContact OE1-CZ 3.67Å; E71-R79 IonicContact OE1-NH1 2.69Å; E71-R79 PolarHBondContact OE1-NH1 2.87Å; E71-R79 IonicContact OE1-NH2 3.92Å; E71-R79 PolarHBondContact OE1-NH2 3.32Å; E71-R79 IonicContact OE2-CZ 3.51Å; E71-R79 IonicContact OE2-NE 3.98Å; E71-R79 IonicContact OE2-NH1 3.34Å; E71-R79 PolarHBondContact OE2-NH1 2.66Å; E71-R79 IonicContact OE2-NH2 2.72Å; E71-R79 PolarHBondContact OE2-NH2 2.67Å
72	S	70.7	Confident	61.6	Low	46 Å²	46	61.7 Å²	61.7	32%	0.322	39%	0.387	S	S	.	.			trans	-54.2	142.9	179.3	67.3	0	0	0	0	108.7	L70 R74 Q75 L76	L70-S72 PolarHBondContact O-N 2.72Å; L70-S72 VanDerWaalsContact O-N 3.13Å; S72-R74 PolarHBondContact O-N 3.43Å; S72-Q75 WeakPolarHBondContact O-CA 3.1Å; S72-Q75 VanDerWaalsContact O-CB 3.28Å; S72-Q75 WeakPolarHBondContact O-CB 3.48Å; S72-Q75 PolarHBondContact O-N 3.28Å; S72-L76 PolarHBondContact O-N 3.3Å
73	P	79.9	Confident	64.3	Low	95 Å²	95	59 Å²	59	62%	0.617	37%	0.365	S	S	*	.	H	α-helix	trans	-55.4	-16.6	-179.1	-30.9	36.5	0	0	0	114.6	L77	P73-L77 WeakPolarHBondContact O-CB 3.25Å; P73-L77 PolarHBondContact O-N 3.01Å
74	R	82.3	Confident	67.1	Low	120 Å²	120	56.7 Å²	56.7	45%	0.453	34%	0.339	S	S	.	.	H	α-helix	trans	-76.6	-27.8	173.4	-45.2	-167.7	-170.9	-173.4	0.7	114.3	S72 G78 S247 H248	S72-R74 PolarHBondContact O-N 3.43Å; R74-G78 PolarHBondContact O-N 2.89Å; R74-S247 WeakPolarHBondContact O-CB 3.44Å; R74-S247 PolarHBondContact O-OG 3.43Å; R74-H248 WeakPolarHBondContact CD-O 3.27Å; R74-H248 PolarHBondContact NH1-O 2.89Å
75	Q	83.6	Confident	70.1	Confident	34 Å²	34	55.3 Å²	55.3	16%	0.159	32%	0.324	C	S	.	.	H	α-helix	trans	-78.1	-49.4	175.8	-173.9	176.1	-0.8	0	0	110.2	E71 S72 L77 G78 R79 D243 S247	E71-Q75 HydrophobicContact CB-CB 4.43Å; E71-Q75 HydrophobicContact CB-CG 4.42Å; S72-Q75 WeakPolarHBondContact O-CA 3.1Å; S72-Q75 VanDerWaalsContact O-CB 3.28Å; S72-Q75 WeakPolarHBondContact O-CB 3.48Å; S72-Q75 PolarHBondContact O-N 3.28Å; Q75-L77 PolarHBondContact O-N 3.06Å; Q75-G78 CarbonylContact O-C 3.54Å; Q75-G78 WeakPolarHBondContact O-CA 3.49Å; Q75-G78 PolarHBondContact O-N 3.33Å; Q75-R79 PolarHBondContact O-N 3.12Å; Q75-D243 HydrophobicContact CG-CB 4.33Å; Q75-D243 PolarHBondContact NE2-OD2 2.97Å; Q75-S247 WeakPolarHBondContact CA-OG 3.47Å
76	L	85.9	Confident	73.1	Confident	27 Å²	27	53 Å²	53	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-50.4	-56.3	167.4	172.8	54	0	0	0	111.1	S72 G78 R79 V80 V481 H484	S72-L76 PolarHBondContact O-N 3.3Å; L76-G78 PolarHBondContact O-N 3.43Å; L76-R79 PolarHBondContact O-N 2.76Å; L76-R79 VanDerWaalsContact O-N 3.12Å; L76-V80 HydrophobicContact CD1-CG2 4.2Å; L76-V80 WeakPolarHBondContact O-CG2 3.41Å; L76-V80 PolarHBondContact O-N 3.39Å; L76-V481 HydrophobicContact CD1-CB 3.8Å; L76-V481 HydrophobicContact CD1-CG1 3.48Å; L76-V481 VanDerWaalsContact CD1-CG1 3.48Å; L76-H484 HydrophobicContact CD1-CB 4.14Å; L76-H484 WeakPolarHBondContact CD1-CD2 3.49Å; L76-H484 HydrophobicContact CD2-CB 4.36Å
77	L	87.5	Confident	76.1	Confident	46 Å²	46	50 Å²	50	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-31.8	177	-178.1	58.2	0	0	0	112.9	L56 P73 Q75 R81	L56-L77 HydrophobicContact CD1-CD1 3.6Å; L56-L77 HydrophobicContact CD2-CD1 4.26Å; P73-L77 WeakPolarHBondContact O-CB 3.25Å; P73-L77 PolarHBondContact O-N 3.01Å; Q75-L77 PolarHBondContact O-N 3.06Å; L77-R81 VanDerWaalsContact O-CD 3.25Å; L77-R81 WeakPolarHBondContact O-CD 3.46Å; L77-R81 WeakPolarHBondContact O-CG 3.25Å; L77-R81 PolarHBondContact O-N 3.13Å; L77-R81 VanDerWaalsContact O-N 3.14Å
78	G	91.4	Very high	79.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-51.2	172.1	0	0	0	0	0	111.9	R74 Q75 L76 V80 R81 F82 Y246	R74-G78 PolarHBondContact O-N 2.89Å; Q75-G78 CarbonylContact O-C 3.54Å; Q75-G78 WeakPolarHBondContact O-CA 3.49Å; Q75-G78 PolarHBondContact O-N 3.33Å; L76-G78 PolarHBondContact O-N 3.43Å; G78-V80 PolarHBondContact O-N 3.29Å; G78-R81 WeakPolarHBondContact O-CB 3.39Å; G78-R81 PolarHBondContact O-N 2.9Å; G78-F82 PolarHBondContact O-N 3.27Å; G78-Y246 WeakPolarHBondContact O-CB 3.48Å
79	R	92.4	Very high	82.1	Confident	18 Å²	18	52.5 Å²	52.5	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-41.6	177.7	-70.9	-176.7	-178.6	163.5	19.7	112.8	E71 Q75 L76 R81 F82 L83 D243 I477 S480 V481	E71-R79 IonicContact OE1-CZ 3.67Å; E71-R79 IonicContact OE1-NH1 2.69Å; E71-R79 PolarHBondContact OE1-NH1 2.87Å; E71-R79 IonicContact OE1-NH2 3.92Å; E71-R79 PolarHBondContact OE1-NH2 3.32Å; E71-R79 IonicContact OE2-CZ 3.51Å; E71-R79 IonicContact OE2-NE 3.98Å; E71-R79 IonicContact OE2-NH1 3.34Å; E71-R79 PolarHBondContact OE2-NH1 2.66Å; E71-R79 IonicContact OE2-NH2 2.72Å; E71-R79 PolarHBondContact OE2-NH2 2.67Å; Q75-R79 PolarHBondContact O-N 3.12Å; L76-R79 PolarHBondContact O-N 2.76Å; L76-R79 VanDerWaalsContact O-N 3.12Å; R79-R81 VanDerWaalsContact C-N 3.3Å; R79-R81 PolarHBondContact O-N 2.99Å; R79-F82 WeakPolarHBondContact O-CB 3.49Å; R79-F82 PolarHBondContact O-N 3.37Å; R79-L83 WeakPolarHBondContact O-CG 3.3Å; R79-L83 PolarHBondContact O-N 2.89Å; R79-D243 WeakPolarHBondContact CG-OD1 3.3Å; R79-D243 IonicContact CZ-OD1 3.4Å; R79-D243 IonicContact CZ-OD2 2.78Å; R79-D243 IonicContact NE-OD1 3.37Å; R79-D243 PolarHBondContact NE-OD1 2.87Å; R79-D243 IonicContact NE-OD2 3.85Å; R79-D243 IonicContact NH2-OD1 3.64Å; R79-D243 PolarHBondContact NH2-OD1 3.42Å; R79-D243 IonicContact NH2-OD2 3.61Å; R79-D243 PolarHBondContact NH2-OD2 2.91Å; R79-I477 HydrophobicContact CB-CG2 3.91Å; R79-I477 HydrophobicContact CG-CG2 3.9Å; R79-S480 WeakPolarHBondContact CD-OG 3.43Å; R79-S480 VanDerWaalsContact NH1-CB 3.29Å; R79-S480 PolarHBondContact NH1-OG 3Å; R79-V481 HydrophobicContact CB-CG1 3.82Å
80	V	90.4	Very high	85.1	Confident	13 Å²	13	46.1 Å²	46.1	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-40.7	174.5	177.8	0	0	0	0	111.7	L52 L76 G78 L83 A84 L485 F496	L52-V80 HydrophobicContact CD2-CG1 4.43Å; L76-V80 HydrophobicContact CD1-CG2 4.2Å; L76-V80 WeakPolarHBondContact O-CG2 3.41Å; L76-V80 PolarHBondContact O-N 3.39Å; G78-V80 PolarHBondContact O-N 3.29Å; V80-L83 PolarHBondContact O-N 3.07Å; V80-A84 PolarHBondContact O-N 2.64Å; V80-L485 HydrophobicContact CG1-CD2 4.12Å; V80-L485 HydrophobicContact CG2-CD2 3.84Å; V80-F496 HydrophobicContact CG1-CD2 4.28Å; V80-F496 HydrophobicContact CG1-CE2 3.63Å; V80-F496 HydrophobicContact CG1-CZ 3.77Å
81	R	91.3	Very high	87.6	Confident	94 Å²	94	43.4 Å²	43.4	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-67.4	-40	174.8	-69.3	160.1	170.2	-167.9	-9.7	112.9	L77 G78 R79 L83 A84 E85 Y246 H248	L77-R81 VanDerWaalsContact O-CD 3.25Å; L77-R81 WeakPolarHBondContact O-CD 3.46Å; L77-R81 WeakPolarHBondContact O-CG 3.25Å; L77-R81 PolarHBondContact O-N 3.13Å; L77-R81 VanDerWaalsContact O-N 3.14Å; G78-R81 WeakPolarHBondContact O-CB 3.39Å; G78-R81 PolarHBondContact O-N 2.9Å; R79-R81 VanDerWaalsContact C-N 3.3Å; R79-R81 PolarHBondContact O-N 2.99Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-A84 PolarHBondContact O-N 3.46Å; R81-E85 PolarHBondContact O-N 3.1Å; R81-E85 VanDerWaalsContact O-N 3.09Å; R81-Y246 HydrophobicContact CB-CD1 4.16Å; R81-Y246 PolarHBondContact NH1-O 2.84Å; R81-H248 PolarHBondContact NH1-CD2 3.4Å; R81-H248 VanDerWaalsContact NH1-CD2 3.35Å; R81-H248 PolarHBondContact NH1-CE1 2.91Å; R81-H248 VanDerWaalsContact NH1-CE1 3.35Å; R81-H248 PolarHBondContact NH1-NE2 3.5Å; R81-H248 PolarHBondContact NH2-NE2 2.95Å
82	F	94.5	Very high	89.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-46.5	172.8	159.8	-96.3	0	0	0	110.9	G78 R79 A84 E85 A86 P97 L100 V242 Y246 F474 I477	G78-F82 PolarHBondContact O-N 3.27Å; R79-F82 WeakPolarHBondContact O-CB 3.49Å; R79-F82 PolarHBondContact O-N 3.37Å; F82-A84 VanDerWaalsContact C-N 3.34Å; F82-A84 PolarHBondContact O-N 3.02Å; F82-E85 PolarHBondContact O-N 2.86Å; F82-A86 HydrophobicContact CE1-CB 4.34Å; F82-A86 HydrophobicContact CE2-CB 4.22Å; F82-A86 HydrophobicContact CZ-CB 3.98Å; F82-A86 WeakPolarHBondContact O-CB 3.32Å; F82-A86 PolarHBondContact O-N 3.42Å; F82-P97 HydrophobicContact CD2-CB 4.26Å; F82-P97 HydrophobicContact CD2-CG 4.13Å; F82-P97 HydrophobicContact CE2-CB 4.07Å; F82-P97 HydrophobicContact CE2-CG 3.9Å; F82-L100 HydrophobicContact CE1-CD1 4.38Å; F82-L100 HydrophobicContact CE2-CB 4.17Å; F82-L100 HydrophobicContact CE2-CD1 4.25Å; F82-L100 HydrophobicContact CZ-CB 4.29Å; F82-L100 HydrophobicContact CZ-CD1 3.63Å; F82-L100 HydrophobicContact CZ-CD2 4.02Å; F82-L100 HydrophobicContact CZ-CG 4.2Å; F82-V242 HydrophobicContact CB-CG1 3.93Å; F82-V242 HydrophobicContact CD1-CG1 4.05Å; F82-V242 HydrophobicContact CD2-CG1 3.94Å; F82-V242 HydrophobicContact CD2-CG2 4.48Å; F82-V242 HydrophobicContact CE2-CG2 4.43Å; F82-V242 HydrophobicContact CG-CG1 3.66Å; F82-Y246 HydrophobicContact CB-CD1 4.05Å; F82-Y246 HydrophobicContact CB-CD2 3.75Å; F82-Y246 HydrophobicContact CB-CE1 4.15Å; F82-Y246 HydrophobicContact CB-CE2 3.87Å; F82-Y246 HydrophobicContact CB-CG 3.86Å; F82-Y246 HydrophobicContact CD2-CD2 4.32Å; F82-Y246 AromaticContact CD2-CE2 3.71Å; F82-Y246 HydrophobicContact CD2-CE2 3.71Å; F82-Y246 HydrophobicContact CG-CD2 4.45Å; F82-Y246 HydrophobicContact CG-CE2 4.24Å; F82-F474 HydrophobicContact CE1-CD2 4.17Å; F82-F474 HydrophobicContact CZ-CD2 4.36Å; F82-I477 HydrophobicContact CD1-CB 4.25Å; F82-I477 HydrophobicContact CD1-CG2 3.58Å; F82-I477 HydrophobicContact CE1-CB 3.95Å; F82-I477 HydrophobicContact CE1-CG1 4.18Å; F82-I477 HydrophobicContact CE1-CG2 3.81Å
83	L	93.4	Very high	90.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-41.7	178.1	-67.2	169.8	0	0	0	111.6	R79 V80 R81 E85 A86 A87 F474 I477 L478 V481 L485 F496	R79-L83 WeakPolarHBondContact O-CG 3.3Å; R79-L83 PolarHBondContact O-N 2.89Å; V80-L83 PolarHBondContact O-N 3.07Å; R81-L83 VanDerWaalsContact C-N 3.35Å; L83-E85 PolarHBondContact O-N 2.81Å; L83-A86 PolarHBondContact O-N 2.89Å; L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 3.48Å; L83-F474 HydrophobicContact CD2-CD2 3.84Å; L83-F474 HydrophobicContact CD2-CE2 3.44Å; L83-F474 VanDerWaalsContact CD2-CE2 3.44Å; L83-F474 HydrophobicContact CD2-CZ 4.12Å; L83-I477 HydrophobicContact CD2-CG2 4.2Å; L83-I477 HydrophobicContact CG-CG2 4.31Å; L83-L478 HydrophobicContact CD1-CD1 3.94Å; L83-L478 HydrophobicContact CD2-CB 3.99Å; L83-L478 HydrophobicContact CD2-CD1 4.37Å; L83-V481 HydrophobicContact CD1-CG2 3.41Å; L83-V481 VanDerWaalsContact CD1-CG2 3.41Å; L83-L485 HydrophobicContact CD1-CD1 4.18Å; L83-F496 HydrophobicContact CB-CE1 4.44Å
84	A	91.1	Very high	91	Very high	16 Å²	16	44.7 Å²	44.7	13%	0.132	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-21.4	174.4	0	0	0	0	0	113.8	V80 R81 F82 R88 F496 E498	V80-A84 PolarHBondContact O-N 2.64Å; R81-A84 PolarHBondContact O-N 3.46Å; F82-A84 VanDerWaalsContact C-N 3.34Å; F82-A84 PolarHBondContact O-N 3.02Å; A84-R88 PolarHBondContact O-NE 3.31Å; A84-R88 PolarHBondContact O-NH2 3.18Å; A84-F496 HydrophobicContact CB-CZ 4.12Å; A84-E498 HydrophobicContact CB-CG 4.3Å
85	E	93.7	Very high	91.7	Very high	75 Å²	75	42 Å²	42	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-84.5	-47.6	169.7	-166.6	-178.7	159.5	0	0	111.8	R81 F82 L83 A87 R88 S89 P97 Y246	R81-E85 PolarHBondContact O-N 3.1Å; R81-E85 VanDerWaalsContact O-N 3.09Å; F82-E85 PolarHBondContact O-N 2.86Å; L83-E85 PolarHBondContact O-N 2.81Å; E85-A87 PolarHBondContact O-N 3.1Å; E85-R88 PolarHBondContact O-N 2.84Å; E85-R88 VanDerWaalsContact O-N 3.12Å; E85-S89 PolarHBondContact O-N 3.29Å; E85-P97 HydrophobicContact CB-CG 4.29Å; E85-P97 HydrophobicContact CG-CG 4.06Å; E85-Y246 VanDerWaalsContact CD-OH 3.28Å; E85-Y246 WeakPolarHBondContact OE2-CE1 3.26Å; E85-Y246 PolarHBondContact OE2-OH 3.09Å
86	A	94.7	Very high	92.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-43.7	178.4	0	0	0	0	0	112.4	F82 L83 R88 S89 L90 L96 P97 F474	F82-A86 HydrophobicContact CE1-CB 4.34Å; F82-A86 HydrophobicContact CE2-CB 4.22Å; F82-A86 HydrophobicContact CZ-CB 3.98Å; F82-A86 WeakPolarHBondContact O-CB 3.32Å; F82-A86 PolarHBondContact O-N 3.42Å; L83-A86 PolarHBondContact O-N 2.89Å; A86-R88 VanDerWaalsContact C-N 3.32Å; A86-R88 PolarHBondContact O-N 3.45Å; A86-S89 WeakPolarHBondContact O-CB 2.77Å; A86-S89 PolarHBondContact O-N 3.33Å; A86-S89 VanDerWaalsContact O-N 3.14Å; A86-L90 WeakPolarHBondContact O-CG 3.44Å; A86-L90 PolarHBondContact O-N 3.43Å; A86-L96 HydrophobicContact CB-CD2 3.72Å; A86-P97 HydrophobicContact CB-CG 4.41Å; A86-F474 HydrophobicContact CB-CD2 3.65Å; A86-F474 HydrophobicContact CB-CE2 3.65Å
87	A	92.6	Very high	92.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-56.8	-43	174.3	0	0	0	0	0	112.3	L83 E85 L90 R91 V502	L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 3.48Å; E85-A87 PolarHBondContact O-N 3.1Å; A87-L90 PolarHBondContact O-N 2.7Å; A87-R91 WeakPolarHBondContact O-CG 3.49Å; A87-R91 PolarHBondContact O-N 3.03Å; A87-V502 HydrophobicContact CB-CG1 3.56Å
88	R	92.6	Very high	93.1	Very high	153 Å²	153	40.3 Å²	40.3	58%	0.577	20%	0.203	S	C	*	.	H	α-helix	trans	-70.2	-33.9	176.2	-72.3	-179.1	-68.5	133.9	5.5	112.5	A84 E85 A86 A92	A84-R88 PolarHBondContact O-NE 3.31Å; A84-R88 PolarHBondContact O-NH2 3.18Å; E85-R88 PolarHBondContact O-N 2.84Å; E85-R88 VanDerWaalsContact O-N 3.12Å; A86-R88 VanDerWaalsContact C-N 3.32Å; A86-R88 PolarHBondContact O-N 3.45Å; R88-A92 WeakPolarHBondContact O-CB 3.39Å; R88-A92 PolarHBondContact O-N 3Å; R88-A92 VanDerWaalsContact O-N 3.16Å
89	S	94	Very high	93.2	Very high	18 Å²	18	40.9 Å²	40.9	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-46.5	170.4	-88.4	0	0	0	0	111.8	E85 A86 A92 G93 R94 P95	E85-S89 PolarHBondContact O-N 3.29Å; A86-S89 WeakPolarHBondContact O-CB 2.77Å; A86-S89 PolarHBondContact O-N 3.33Å; A86-S89 VanDerWaalsContact O-N 3.14Å; S89-A92 PolarHBondContact O-N 3.21Å; S89-G93 PolarHBondContact O-N 2.95Å; S89-R94 PolarHBondContact O-N 2.91Å; S89-P95 VanDerWaalsContact CB-O 3.26Å; S89-P95 WeakPolarHBondContact CB-O 3.27Å; S89-P95 PolarHBondContact OG-O 3.11Å
90	L	93.7	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-56.1	177.6	-68.8	165.9	0	0	0	110.9	A86 A87 A92 G93 L96 Y276 D279 L471 F474 V502 F505	A86-L90 WeakPolarHBondContact O-CG 3.44Å; A86-L90 PolarHBondContact O-N 3.43Å; A87-L90 PolarHBondContact O-N 2.7Å; L90-A92 PolarHBondContact O-N 2.8Å; L90-A92 VanDerWaalsContact O-N 3.09Å; L90-G93 PolarHBondContact O-N 3.18Å; L90-L96 HydrophobicContact CD1-CD2 4.42Å; L90-L96 HydrophobicContact CD2-CD1 4.42Å; L90-L96 HydrophobicContact CD2-CD2 4.15Å; L90-L96 HydrophobicContact CD2-CG 4.45Å; L90-L96 HydrophobicContact CG-CD2 3.98Å; L90-Y276 HydrophobicContact CB-CD2 4.27Å; L90-Y276 HydrophobicContact CB-CE2 4.48Å; L90-D279 HydrophobicContact CD2-CB 4.42Å; L90-L471 HydrophobicContact CD2-CD2 3.82Å; L90-F474 HydrophobicContact CD1-CD1 4.46Å; L90-F474 HydrophobicContact CD1-CE1 4.12Å; L90-F474 HydrophobicContact CD1-CE2 4.38Å; L90-F474 HydrophobicContact CD1-CZ 4.08Å; L90-V502 HydrophobicContact CD1-CG1 4.06Å; L90-F505 HydrophobicContact CB-CZ 4.4Å; L90-F505 HydrophobicContact CD1-CD1 4.13Å; L90-F505 HydrophobicContact CD1-CE1 3.71Å; L90-F505 HydrophobicContact CD1-CZ 3.94Å; L90-F505 HydrophobicContact CD2-CE1 3.81Å; L90-F505 HydrophobicContact CD2-CZ 3.98Å; L90-F505 HydrophobicContact CG-CE1 4.32Å; L90-F505 HydrophobicContact CG-CZ 4.32Å
91	R	90.1	Very high	93.7	Very high	87 Å²	87	39.4 Å²	39.4	33%	0.328	20%	0.201	S	C	.	.	H	α-helix	trans	-58.8	-24.2	179.1	-70	-68.7	-77.2	163.6	-3.9	113.6	A87 Y276 Q501 E691	A87-R91 WeakPolarHBondContact O-CG 3.49Å; A87-R91 PolarHBondContact O-N 3.03Å; R91-Y276 VanDerWaalsContact CD-CE2 3.44Å; R91-Y276 HydrophobicContact CG-CD2 4.21Å; R91-Y276 HydrophobicContact CG-CE2 4.14Å; R91-Q501 WeakPolarHBondContact CD-O 3.36Å; R91-Q501 HydrophobicContact CG-CB 4.16Å; R91-E691 IonicContact CZ-OE2 2.69Å; R91-E691 VanDerWaalsContact NH2-CD 3.27Å; R91-E691 IonicContact NH2-OE1 2.83Å; R91-E691 IonicContact NH2-OE2 3.87Å; R91-E691 PolarHBondContact NH2-OE2 3.29Å
92	A	91.8	Very high	93.9	Very high	53 Å²	53	35.5 Å²	35.5	44%	0.438	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	2.3	177.9	0	0	0	0	0	114.8	R88 S89 L90 R94	R88-A92 WeakPolarHBondContact O-CB 3.39Å; R88-A92 PolarHBondContact O-N 3Å; R88-A92 VanDerWaalsContact O-N 3.16Å; S89-A92 PolarHBondContact O-N 3.21Å; L90-A92 PolarHBondContact O-N 2.8Å; L90-A92 VanDerWaalsContact O-N 3.09Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 HydrophobicContact CB-CG 3.9Å; A92-R94 PolarHBondContact O-N 3.08Å
93	G	90.9	Very high	93.8	Very high	19 Å²	19	35.7 Å²	35.7	20%	0.196	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	32.1	-175.8	0	0	0	0	0	113.5	S89 L90	S89-G93 PolarHBondContact O-N 2.95Å; L90-G93 PolarHBondContact O-N 3.18Å
94	R	93.8	Very high	93.8	Very high	160 Å²	160	36.1 Å²	36.1	60%	0.604	19%	0.191	S	C	*	.			trans	-108.2	163.9	-171.1	-69.1	-179.5	-172.5	-170.2	1.2	113.1	S89 A92 R467	S89-R94 PolarHBondContact O-N 2.91Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 HydrophobicContact CB-CG 3.9Å; A92-R94 PolarHBondContact O-N 3.08Å; R94-R467 PolarHBondContact O-NH1 3.35Å; R94-R467 PolarHBondContact O-NH2 2.91Å
95	P	95.4	Very high	93.8	Very high	63 Å²	63	38.5 Å²	38.5	41%	0.409	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-52.8	140.5	164.7	-26.9	36	0	0	0	111.8	S89 L268 V270	S89-P95 VanDerWaalsContact CB-O 3.26Å; S89-P95 WeakPolarHBondContact CB-O 3.27Å; S89-P95 PolarHBondContact OG-O 3.11Å; P95-L268 HydrophobicContact CB-CB 4.38Å; P95-L268 HydrophobicContact CB-CD2 4.31Å; P95-L268 WeakPolarHBondContact CB-O 3.25Å; P95-L268 WeakPolarHBondContact CG-O 3.41Å; P95-V270 HydrophobicContact CB-CG2 4.47Å; P95-V270 HydrophobicContact CG-CG2 4.09Å
96	L	95.7	Very high	93.5	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-70.8	161.4	172.1	-78.6	161.6	0	0	0	110.5	A86 L90 A98 L100 L268 L470 L471	A86-L96 HydrophobicContact CB-CD2 3.72Å; L90-L96 HydrophobicContact CD1-CD2 4.42Å; L90-L96 HydrophobicContact CD2-CD1 4.42Å; L90-L96 HydrophobicContact CD2-CD2 4.15Å; L90-L96 HydrophobicContact CD2-CG 4.45Å; L90-L96 HydrophobicContact CG-CD2 3.98Å; L96-A98 PolarHBondContact O-N 3.2Å; L96-L100 HydrophobicContact CB-CD2 4.01Å; L96-L100 HydrophobicContact CD1-CD2 3.89Å; L96-L100 HydrophobicContact CG-CD2 4.36Å; L96-L268 WeakPolarHBondContact O-CD2 3.44Å; L96-L470 HydrophobicContact CB-CD1 4.41Å; L96-L470 HydrophobicContact CD1-CB 3.86Å; L96-L470 HydrophobicContact CD1-CD1 4.4Å; L96-L471 HydrophobicContact CD1-CD2 4.13Å
97	P	96.3	Very high	93.2	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.058	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-59	132.9	-177.8	-25.1	34.3	0	0	0	112.7	F82 E85 A86 A99 L100 Y246	F82-P97 HydrophobicContact CD2-CB 4.26Å; F82-P97 HydrophobicContact CD2-CG 4.13Å; F82-P97 HydrophobicContact CE2-CB 4.07Å; F82-P97 HydrophobicContact CE2-CG 3.9Å; E85-P97 HydrophobicContact CB-CG 4.29Å; E85-P97 HydrophobicContact CG-CG 4.06Å; A86-P97 HydrophobicContact CB-CG 4.41Å; P97-A99 PolarHBondContact O-N 3.02Å; P97-L100 VanDerWaalsContact O-CB 3.24Å; P97-L100 WeakPolarHBondContact O-CB 3.42Å; P97-L100 PolarHBondContact O-N 3.45Å; P97-Y246 VanDerWaalsContact CB-OH 3.26Å; P97-Y246 WeakPolarHBondContact CB-OH 3.27Å
98	A	95	Very high	92.9	Very high	60 Å²	60	42.7 Å²	42.7	50%	0.496	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.5	-168.7	0	0	0	0	0	115.1	L96 L100 A101 F102 L268	L96-A98 PolarHBondContact O-N 3.2Å; A98-L100 PolarHBondContact O-N 3.03Å; A98-A101 CarbonylContact O-C 3.55Å; A98-A101 PolarHBondContact O-N 3.27Å; A98-A101 VanDerWaalsContact O-N 3.12Å; A98-F102 PolarHBondContact O-N 2.98Å; A98-L268 HydrophobicContact CB-CD1 3.88Å
99	A	94.4	Very high	92.6	Very high	11 Å²	11	35.8 Å²	35.8	9%	0.091	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.4	172.7	0	0	0	0	0	113	P97 F102 V241 V242	P97-A99 PolarHBondContact O-N 3.02Å; A99-F102 WeakPolarHBondContact O-CB 3.23Å; A99-F102 PolarHBondContact O-N 2.89Å; A99-V241 HydrophobicContact CB-CG1 3.97Å; A99-V242 HydrophobicContact CB-CG2 3.88Å
100	L	95.6	Very high	92.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-34.6	176.5	-165	70.2	0	0	0	112.1	F82 L96 P97 A98 F102 W238 V242 L470 R473 F474	F82-L100 HydrophobicContact CE1-CD1 4.38Å; F82-L100 HydrophobicContact CE2-CB 4.17Å; F82-L100 HydrophobicContact CE2-CD1 4.25Å; F82-L100 HydrophobicContact CZ-CB 4.29Å; F82-L100 HydrophobicContact CZ-CD1 3.63Å; F82-L100 HydrophobicContact CZ-CD2 4.02Å; F82-L100 HydrophobicContact CZ-CG 4.2Å; L96-L100 HydrophobicContact CB-CD2 4.01Å; L96-L100 HydrophobicContact CD1-CD2 3.89Å; L96-L100 HydrophobicContact CG-CD2 4.36Å; P97-L100 VanDerWaalsContact O-CB 3.24Å; P97-L100 WeakPolarHBondContact O-CB 3.42Å; P97-L100 PolarHBondContact O-N 3.45Å; A98-L100 PolarHBondContact O-N 3.03Å; L100-F102 VanDerWaalsContact C-N 3.27Å; L100-F102 PolarHBondContact O-N 3.35Å; L100-W238 HydrophobicContact CD1-CE3 3.79Å; L100-W238 HydrophobicContact CD1-CH2 4.43Å; L100-W238 HydrophobicContact CD1-CZ3 3.53Å; L100-V242 HydrophobicContact CD1-CG2 4.41Å; L100-L470 HydrophobicContact CD2-CB 4.38Å; L100-L470 WeakPolarHBondContact CD2-O 3.39Å; L100-L470 HydrophobicContact CG-CD2 4.43Å; L100-R473 HydrophobicContact CD1-CB 3.6Å; L100-R473 HydrophobicContact CD2-CB 4.42Å; L100-R473 HydrophobicContact CG-CB 3.87Å; L100-R473 WeakPolarHBondContact O-CD 3.16Å; L100-R473 PolarHBondContact O-NH1 3.33Å; L100-F474 HydrophobicContact CD2-CB 4.12Å
101	A	96.4	Very high	91.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	8.1	179.7	0	0	0	0	0	113.6	A98 V103 V264 L267 L268 L470	A98-A101 CarbonylContact O-C 3.55Å; A98-A101 PolarHBondContact O-N 3.27Å; A98-A101 VanDerWaalsContact O-N 3.12Å; A101-V103 PolarHBondContact O-N 3.19Å; A101-V264 HydrophobicContact CB-CG1 4.27Å; A101-L267 HydrophobicContact CB-CB 3.96Å; A101-L267 HydrophobicContact CB-CD1 4.4Å; A101-L268 HydrophobicContact CB-CD1 4.24Å; A101-L268 HydrophobicContact CB-CD2 3.53Å; A101-L268 HydrophobicContact CB-CG 3.59Å; A101-L470 HydrophobicContact CB-CD1 4.29Å; A101-L470 HydrophobicContact CB-CD2 3.98Å
102	F	95.9	Very high	90.5	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.053	22%	0.219	C	C	.	.			trans	-57.7	134.4	178.8	-179.7	-94	0	0	0	111.8	A98 A99 L100 P104 W238 V241 P256 A257 A259 R473	A98-F102 PolarHBondContact O-N 2.98Å; A99-F102 WeakPolarHBondContact O-CB 3.23Å; A99-F102 PolarHBondContact O-N 2.89Å; L100-F102 VanDerWaalsContact C-N 3.27Å; L100-F102 PolarHBondContact O-N 3.35Å; F102-P104 HydrophobicContact CE1-CB 4.12Å; F102-P104 HydrophobicContact CE1-CG 4.43Å; F102-P104 HydrophobicContact CZ-CB 4.25Å; F102-W238 HydrophobicContact CB-CB 3.94Å; F102-W238 HydrophobicContact CD1-CB 4.43Å; F102-V241 HydrophobicContact CB-CB 4.25Å; F102-V241 HydrophobicContact CB-CG1 4.34Å; F102-V241 HydrophobicContact CB-CG2 4.18Å; F102-V241 HydrophobicContact CD1-CG2 3.75Å; F102-V241 HydrophobicContact CD2-CG1 4.34Å; F102-V241 HydrophobicContact CD2-CG2 3.88Å; F102-V241 HydrophobicContact CE1-CG2 4.06Å; F102-V241 HydrophobicContact CE2-CG2 4.17Å; F102-V241 HydrophobicContact CG-CB 4.26Å; F102-V241 HydrophobicContact CG-CG1 4.41Å; F102-V241 HydrophobicContact CG-CG2 3.65Å; F102-V241 HydrophobicContact CZ-CG2 4.25Å; F102-P256 HydrophobicContact CE2-CB 3.97Å; F102-P256 HydrophobicContact CZ-CB 4.29Å; F102-A257 WeakPolarHBondContact CE2-O 3.17Å; F102-A257 HydrophobicContact CZ-CB 4.45Å; F102-A259 HydrophobicContact CD2-CB 3.92Å; F102-A259 HydrophobicContact CE2-CB 3.75Å; F102-R473 PolarHBondContact O-NH1 2.96Å
103	V	93.8	Very high	89.1	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.03	23%	0.229	C	C	.	.			trans	-140	121.3	175.2	171.7	0	0	0	0	106.2	A101 G168 E169 A259 Y260 A263 L267	A101-V103 PolarHBondContact O-N 3.19Å; V103-G168 VanDerWaalsContact CG1-C 3.42Å; V103-E169 HydrophobicContact CG1-CB 4.33Å; V103-A259 CarbonylContact O-C 3.36Å; V103-A259 VanDerWaalsContact O-CA 3.31Å; V103-A259 WeakPolarHBondContact O-CA 3.42Å; V103-Y260 HydrophobicContact CG1-CD1 4.46Å; V103-Y260 PolarHBondContact O-N 3.19Å; V103-A263 HydrophobicContact CB-CB 4.11Å; V103-A263 HydrophobicContact CG1-CB 3.94Å; V103-A263 HydrophobicContact CG2-CB 4.18Å; V103-L267 HydrophobicContact CG2-CD1 3.6Å
104	P	91.5	Very high	87.5	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.084	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-70	144.8	178.3	28.4	-33.9	0	0	0	111.5	F102 E106 V107 G168 L236	F102-P104 HydrophobicContact CE1-CB 4.12Å; F102-P104 HydrophobicContact CE1-CG 4.43Å; F102-P104 HydrophobicContact CZ-CB 4.25Å; P104-E106 VanDerWaalsContact C-N 3.34Å; P104-V107 HydrophobicContact CB-CG2 4.47Å; P104-V107 HydrophobicContact CG-CG2 3.69Å; P104-G168 PolarHBondContact O-N 2.82Å; P104-L236 HydrophobicContact CB-CD2 4.03Å
105	Q	91.1	Very high	85.6	Confident	65 Å²	65	47.1 Å²	47.1	30%	0.304	25%	0.247	S	C	.	.	S	Bend	trans	-68	-31.6	177.8	-177.7	166.9	-32.5	0	0	113.4	T167 Q185 E258	Q105-T167 WeakPolarHBondContact O-CA 3.35Å; Q105-Q185 PolarHBondContact O-NE2 3.39Å; Q105-E258 HydrophobicContact CB-CB 4.42Å; Q105-E258 WeakPolarHBondContact CB-O 3.43Å; Q105-E258 PolarHBondContact N-O 3.28Å
106	E	89.1	Confident	83.8	Confident	96 Å²	96	48.5 Å²	48.5	45%	0.449	26%	0.264	S	S	.	.			trans	-131.6	132.7	178	-58.7	-163.3	139.4	0	0	111.7	P104 R165 T166	P104-E106 VanDerWaalsContact C-N 3.34Å; E106-R165 HydrophobicContact CB-CG 4.33Å; E106-R165 WeakPolarHBondContact OE1-CD 3.17Å; E106-R165 IonicContact OE1-CZ 3.33Å; E106-R165 IonicContact OE1-NE 2.7Å; E106-R165 IonicContact OE1-NH1 3.31Å; E106-R165 PolarHBondContact OE1-NH1 2.8Å; E106-T166 CarbonylContact C-O 3.6Å; E106-T166 WeakPolarHBondContact CA-O 3.42Å
107	V	87.6	Confident	82.2	Confident	27 Å²	27	49.4 Å²	49.4	16%	0.164	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.6	166.6	-176	0	0	0	0	107.6	P104 Y109 T166 P214	P104-V107 HydrophobicContact CB-CG2 4.47Å; P104-V107 HydrophobicContact CG-CG2 3.69Å; V107-Y109 HydrophobicContact CB-CD2 4.33Å; V107-Y109 HydrophobicContact CB-CE2 3.81Å; V107-Y109 HydrophobicContact CG1-CD2 3.9Å; V107-Y109 HydrophobicContact CG1-CE2 3.38Å; V107-T166 PolarHBondContact N-O 2.95Å; V107-T166 PolarHBondContact O-N 2.86Å; V107-P214 HydrophobicContact CG1-CB 4.34Å
108	L	87.4	Confident	80.7	Confident	42 Å²	42	53.2 Å²	53.2	22%	0.22	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.5	171.6	-73.8	-179.5	0	0	0	110	R165 P214 I215 T217	L108-R165 HydrophobicContact CD2-CB 3.98Å; L108-R165 HydrophobicContact CD2-CG 3.91Å; L108-P214 WeakPolarHBondContact O-CA 3.41Å; L108-I215 HydrophobicContact CB-CD1 4.09Å; L108-I215 HydrophobicContact CB-CG1 3.68Å; L108-I215 HydrophobicContact CD1-CD1 4.4Å; L108-I215 WeakPolarHBondContact O-CG1 3.42Å; L108-I215 PolarHBondContact O-N 3.47Å; L108-T217 HydrophobicContact CD1-CG2 3.75Å; L108-T217 HydrophobicContact CG-CG2 4.18Å
109	Y	85.4	Confident	79.5	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129	171.5	-76.2	-95	0	0	0	110.3	V107 C163 V164 T166 E170 V179 V202 L212 V213 P214	V107-Y109 HydrophobicContact CB-CD2 4.33Å; V107-Y109 HydrophobicContact CB-CE2 3.81Å; V107-Y109 HydrophobicContact CG1-CD2 3.9Å; V107-Y109 HydrophobicContact CG1-CE2 3.38Å; Y109-C163 CarbonylContact O-C 3.6Å; Y109-C163 WeakPolarHBondContact O-CA 3.37Å; Y109-V164 PolarHBondContact N-O 2.66Å; Y109-V164 PolarHBondContact O-N 2.97Å; Y109-T166 HydrophobicContact CD2-CG2 4.06Å; Y109-T166 VanDerWaalsContact CD2-OG1 3.28Å; Y109-T166 WeakPolarHBondContact CD2-OG1 3.46Å; Y109-T166 VanDerWaalsContact CE2-OG1 3.22Å; Y109-T166 WeakPolarHBondContact CE2-OG1 3.3Å; Y109-E170 PolarHBondContact OH-OE1 3.07Å; Y109-V179 HydrophobicContact CE1-CG1 4.28Å; Y109-V179 HydrophobicContact CE2-CB 4.4Å; Y109-V179 HydrophobicContact CE2-CG1 3.85Å; Y109-V179 HydrophobicContact CE2-CG2 4.49Å; Y109-V179 WeakPolarHBondContact OH-CG1 3.43Å; Y109-V202 HydrophobicContact CE1-CG1 4.41Å; Y109-V202 HydrophobicContact CE1-CG2 4.47Å; Y109-L212 HydrophobicContact CD1-CB 3.98Å; Y109-L212 HydrophobicContact CG-CB 4.39Å; Y109-V213 CarbonylContact C-O 3.57Å; Y109-V213 WeakPolarHBondContact CA-O 3.49Å; Y109-P214 HydrophobicContact CD1-CB 4.01Å; Y109-P214 HydrophobicContact CE1-CB 3.63Å; Y109-P214 HydrophobicContact CE1-CG 3.98Å
110	K	84.7	Confident	78.5	Confident	82 Å²	82	59.8 Å²	59.8	36%	0.357	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.3	178.4	-170.5	165.6	-168.4	155	0	110.9	Y112 G161 V213 I215	K110-Y112 PolarHBondContact O-N 3.5Å; K110-G161 VanDerWaalsContact CE-O 3.29Å; K110-G161 WeakPolarHBondContact CE-O 3.33Å; K110-V213 PolarHBondContact N-O 3.08Å; K110-V213 PolarHBondContact O-N 3.41Å; K110-I215 HydrophobicContact CB-CD1 4.36Å; K110-I215 HydrophobicContact CB-CG1 4.46Å; K110-I215 HydrophobicContact CB-CG2 3.72Å; K110-I215 HydrophobicContact CD-CG2 4.19Å
111	L	79.6	Confident	77.9	Confident	12 Å²	12	62 Å²	62	6%	0.063	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	126.7	174.1	-175.1	68.7	0	0	0	110.3	V121 L123 L158 A162	L111-V121 HydrophobicContact CD1-CB 4.2Å; L111-V121 HydrophobicContact CD1-CG1 4.22Å; L111-V121 HydrophobicContact CD1-CG2 4.36Å; L111-V121 HydrophobicContact CD2-CB 3.92Å; L111-V121 HydrophobicContact CD2-CG2 3.88Å; L111-L123 HydrophobicContact CD1-CD2 4.43Å; L111-L158 HydrophobicContact CD2-CB 4.15Å; L111-A162 PolarHBondContact N-O 2.84Å; L111-A162 VanDerWaalsContact N-O 3.12Å
112	Y	69.7	Low	77.4	Confident	137 Å²	137	67.1 Å²	67.1	54%	0.537	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-63.8	152.9	-177.1	-177.5	-99.9	0	0	0	112.9	K110 D114 A210 R211 V213	K110-Y112 PolarHBondContact O-N 3.5Å; Y112-D114 PolarHBondContact O-N 2.96Å; Y112-A210 WeakPolarHBondContact CB-O 3.22Å; Y112-R211 PolarHBondContact N-O 3.31Å; Y112-V213 HydrophobicContact CD2-CG2 4.09Å
113	K	62.3	Low	77	Confident	149 Å²	149	66.9 Å²	66.9	65%	0.648	36%	0.362	S	S	*	.			trans	-94.1	83.4	179.3	-70.5	-174.8	176.6	-175.8	0	111.1	P115	K113-P115 WeakPolarHBondContact O-CD 3.36Å
114	D	57.6	Low	76.8	Confident	82 Å²	82	68.6 Å²	68.6	44%	0.439	37%	0.373	S	S	.	.			trans	-70.3	119.8	149.9	180	-9	0	0	0	107.9	Y112 A116 G117 R160	Y112-D114 PolarHBondContact O-N 2.96Å; D114-A116 VanDerWaalsContact C-N 3.35Å; D114-A116 WeakPolarHBondContact OD1-CA 3.33Å; D114-A116 PolarHBondContact OD1-N 3.17Å; D114-G117 PolarHBondContact OD1-N 2.94Å; D114-G117 VanDerWaalsContact OD1-N 3.1Å; D114-G117 PolarHBondContact OD2-N 3.43Å; D114-R160 VanDerWaalsContact O-CZ 3.25Å; D114-R160 PolarHBondContact O-NH1 3.08Å
115	P	53.9	Low	76.8	Confident	113 Å²	113	68 Å²	68	73%	0.734	37%	0.369	S	S	*	.	S	Bend	trans	-66.6	-35.4	175.9	27.3	-33.4	0	0	0	112.6	K113 R160	K113-P115 WeakPolarHBondContact O-CD 3.36Å; P115-R160 PolarHBondContact O-NH1 2.67Å
116	A	56.5	Low	76.8	Confident	92 Å²	92	66.1 Å²	66.1	76%	0.76	36%	0.359	S	S	*	.	S	Bend	trans	-90.4	-15.8	-173.8	0	0	0	0	0	114.2	D114	D114-A116 VanDerWaalsContact C-N 3.35Å; D114-A116 WeakPolarHBondContact OD1-CA 3.33Å; D114-A116 PolarHBondContact OD1-N 3.17Å
117	G	63.3	Low	76.7	Confident	24 Å²	24	64.3 Å²	64.3	25%	0.247	35%	0.351	C	S	.	.	S	Bend	trans	-64.2	-176.2	179.4	0	0	0	0	0	114.9	D114 R160	D114-G117 PolarHBondContact OD1-N 2.94Å; D114-G117 VanDerWaalsContact OD1-N 3.1Å; D114-G117 PolarHBondContact OD2-N 3.43Å; G117-R160 VanDerWaalsContact C-NH2 3.3Å; G117-R160 PolarHBondContact O-NH2 3.32Å
118	P	64.4	Low	76.2	Confident	89 Å²	89	63.5 Å²	63.5	58%	0.578	35%	0.347	S	S	*	.			trans	-70.3	168.6	176.4	29.9	-35.9	0	0	0	113.2	R120 V121 R160	P118-R120 WeakPolarHBondContact CB-O 3.42Å; P118-R120 VanDerWaalsContact CG-O 3.29Å; P118-R120 WeakPolarHBondContact CG-O 3.43Å; P118-V121 HydrophobicContact CG-CG2 4.24Å; P118-R160 PolarHBondContact O-NH2 3.39Å
119	S	68.6	Low	75.4	Confident	90 Å²	90	65.7 Å²	65.7	63%	0.629	36%	0.356	S	S	*	.	S	Bend	trans	-81	-21.9	177.6	59.4	0	0	0	0	113.6	R160	S119-R160 PolarHBondContact O-N 3.34Å
120	R	75	Confident	74.3	Confident	119 Å²	119	65.9 Å²	65.9	45%	0.449	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.6	173	-52.5	-171.4	-173.5	-173.9	3.1	109.6	P118 E157 L158 R159	P118-R120 WeakPolarHBondContact CB-O 3.42Å; P118-R120 VanDerWaalsContact CG-O 3.29Å; P118-R120 WeakPolarHBondContact CG-O 3.43Å; R120-E157 HydrophobicContact CB-CG 4.32Å; R120-E157 WeakPolarHBondContact CD-OE1 3.29Å; R120-E157 IonicContact CZ-OE1 3.65Å; R120-E157 IonicContact CZ-OE2 3.85Å; R120-E157 IonicContact NE-OE1 3.71Å; R120-E157 IonicContact NH1-OE1 2.82Å; R120-E157 PolarHBondContact NH1-OE1 3.34Å; R120-E157 IonicContact NH1-OE2 2.78Å; R120-E157 PolarHBondContact NH1-OE2 2.96Å; R120-L158 CarbonylContact C-O 3.55Å; R120-L158 VanDerWaalsContact CA-O 3.26Å; R120-L158 WeakPolarHBondContact CA-O 3.1Å; R120-R159 HydrophobicContact CG-CG 4.48Å
121	V	81.6	Confident	73.5	Confident	45 Å²	45	62.2 Å²	62.2	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.6	178.9	176.5	0	0	0	0	108.7	L111 P118 L123 L158	L111-V121 HydrophobicContact CD1-CB 4.2Å; L111-V121 HydrophobicContact CD1-CG1 4.22Å; L111-V121 HydrophobicContact CD1-CG2 4.36Å; L111-V121 HydrophobicContact CD2-CB 3.92Å; L111-V121 HydrophobicContact CD2-CG2 3.88Å; P118-V121 HydrophobicContact CG-CG2 4.24Å; V121-L123 HydrophobicContact CG1-CD2 3.89Å; V121-L123 HydrophobicContact CG1-CG 4.46Å; V121-L158 PolarHBondContact N-O 2.88Å; V121-L158 PolarHBondContact O-N 3.47Å
122	L	85.9	Confident	72.7	Confident	109 Å²	109	63.9 Å²	63.9	57%	0.571	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.6	168.2	-67.9	169.4	0	0	0	109	E157	L122-E157 HydrophobicContact CD2-CB 3.83Å; L122-E157 HydrophobicContact CD2-CG 4.02Å
123	L	88.4	Confident	72	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	104.3	173.7	-60.9	-179.4	0	0	0	108	L111 V121 S155 I156 L158 L200 L212	L111-L123 HydrophobicContact CD1-CD2 4.43Å; V121-L123 HydrophobicContact CG1-CD2 3.89Å; V121-L123 HydrophobicContact CG1-CG 4.46Å; L123-S155 CarbonylContact O-C 3.57Å; L123-S155 WeakPolarHBondContact O-CA 3.37Å; L123-I156 PolarHBondContact N-O 2.98Å; L123-I156 PolarHBondContact O-N 3.03Å; L123-L158 HydrophobicContact CD1-CD1 3.53Å; L123-L158 HydrophobicContact CD1-CG 4.07Å; L123-L200 HydrophobicContact CB-CD2 3.95Å; L123-L200 HydrophobicContact CD1-CD1 4.35Å; L123-L212 HydrophobicContact CD1-CD1 4.35Å; L123-L212 HydrophobicContact CD1-CD2 3.91Å; L123-L212 HydrophobicContact CD1-CG 4.38Å
124	P	90.1	Very high	71.5	Confident	42 Å²	42	58 Å²	58	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	148.4	-178.2	-12.5	26.8	0	0	0	111.5	W126 A152 D154 S155 L200	P124-W126 HydrophobicContact CB-CE3 4.2Å; P124-W126 HydrophobicContact CB-CH2 3.71Å; P124-W126 HydrophobicContact CB-CZ2 4.4Å; P124-W126 HydrophobicContact CB-CZ3 3.59Å; P124-W126 HydrophobicContact CG-CH2 4.01Å; P124-W126 HydrophobicContact CG-CZ3 4.15Å; P124-W126 WeakPolarHBondContact O-CZ3 3.43Å; P124-A152 HydrophobicContact CB-CB 3.48Å; P124-A152 VanDerWaalsContact CB-CB 3.48Å; P124-D154 CarbonylContact C-O 3.5Å; P124-D154 WeakPolarHBondContact CA-O 3.34Å; P124-S155 WeakPolarHBondContact CA-OG 3.39Å; P124-L200 VanDerWaalsContact O-CD2 3.26Å; P124-L200 WeakPolarHBondContact O-CD2 3.46Å
125	V	90.8	Very high	70.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.7	-176.4	-175.7	0	0	0	0	109.7	A152 R153 D154 I156 L186 L190 L195 L200	V125-A152 CarbonylContact O-C 3.58Å; V125-A152 WeakPolarHBondContact O-CA 3.32Å; V125-R153 PolarHBondContact O-N 3.01Å; V125-D154 HydrophobicContact CB-CB 4.43Å; V125-D154 PolarHBondContact N-O 2.85Å; V125-I156 HydrophobicContact CG2-CD1 3.97Å; V125-I156 HydrophobicContact CG2-CG1 3.86Å; V125-L186 HydrophobicContact CG1-CD2 3.92Å; V125-L190 HydrophobicContact CG2-CD1 4.35Å; V125-L195 HydrophobicContact CG1-CD1 4.24Å; V125-L200 HydrophobicContact CG2-CD2 3.89Å
126	W	90.5	Very high	70	Confident	25 Å²	25	56.1 Å²	56.1	10%	0.095	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-114	151.1	176.3	-74.3	-97.4	0	0	0	111.8	P124 L131 L149 R150 A152 W178 G198 W199	P124-W126 HydrophobicContact CB-CE3 4.2Å; P124-W126 HydrophobicContact CB-CH2 3.71Å; P124-W126 HydrophobicContact CB-CZ2 4.4Å; P124-W126 HydrophobicContact CB-CZ3 3.59Å; P124-W126 HydrophobicContact CG-CH2 4.01Å; P124-W126 HydrophobicContact CG-CZ3 4.15Å; P124-W126 WeakPolarHBondContact O-CZ3 3.43Å; W126-L131 HydrophobicContact CB-CD2 3.71Å; W126-L131 HydrophobicContact CB-CG 4.19Å; W126-L131 HydrophobicContact CG-CD2 3.92Å; W126-L149 HydrophobicContact CZ2-CD1 4.26Å; W126-R150 PolarHBondContact NE1-O 3.32Å; W126-A152 HydrophobicContact CD2-CB 4.06Å; W126-A152 HydrophobicContact CE3-CB 4.42Å; W126-A152 HydrophobicContact CZ2-CB 4.11Å; W126-W178 HydrophobicContact CD2-CH2 4.08Å; W126-W178 AromaticContact CD2-CZ3 3.84Å; W126-W178 HydrophobicContact CD2-CZ3 3.84Å; W126-W178 HydrophobicContact CE3-CH2 4.01Å; W126-W178 AromaticContact CE3-CZ3 3.44Å; W126-W178 HydrophobicContact CE3-CZ3 3.44Å; W126-W178 VanDerWaalsContact CE3-CZ3 3.44Å; W126-W178 HydrophobicContact CG-CZ3 4.39Å; W126-W178 HydrophobicContact CH2-CH2 4.28Å; W126-W178 HydrophobicContact CH2-CZ3 4.36Å; W126-W178 HydrophobicContact CZ2-CH2 4.4Å; W126-W178 HydrophobicContact CZ3-CH2 4.08Å; W126-W178 AromaticContact CZ3-CZ3 3.71Å; W126-W178 HydrophobicContact CZ3-CZ3 3.71Å; W126-G198 CarbonylContact O-C 3.59Å; W126-G198 WeakPolarHBondContact O-CA 3.37Å; W126-W199 PolarHBondContact N-O 3.33Å; W126-W199 VanDerWaalsContact N-O 3.07Å; W126-W199 PolarHBondContact O-N 2.88Å
127	E	86.7	Confident	68.9	Low	58 Å²	58	56 Å²	56	27%	0.271	34%	0.336	S	S	.	.			trans	-84.9	161	163.8	-66.6	171.1	128.1	0	0	110	E129 G130 R153 L195	E127-E129 PolarHBondContact O-N 3.08Å; E127-G130 WeakPolarHBondContact O-CA 3.45Å; E127-G130 PolarHBondContact O-N 2.89Å; E127-R153 HydrophobicContact CG-CG 4.05Å; E127-R153 IonicContact OE2-CZ 2.73Å; E127-R153 IonicContact OE2-NE 2.79Å; E127-R153 PolarHBondContact OE2-NE 3.18Å; E127-R153 IonicContact OE2-NH2 3.85Å; E127-R153 PolarHBondContact OE2-NH2 3.5Å; E127-L195 HydrophobicContact CG-CD2 3.91Å
128	A	78.1	Confident	67.6	Low	11 Å²	11	60 Å²	60	9%	0.091	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-51.6	-41.1	176.2	0	0	0	0	0	113.4	G130 L131 L133	A128-G130 PolarHBondContact O-N 3.22Å; A128-L131 PolarHBondContact O-N 3.14Å; A128-L133 HydrophobicContact CB-CD1 3.71Å
129	E	71.1	Confident	66.1	Low	87 Å²	87	59.2 Å²	59.2	41%	0.407	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-67.2	-16.7	176.2	-67.7	-177.1	-166.2	0	0	114	E127 R134 R150	E127-E129 PolarHBondContact O-N 3.08Å; E129-R134 HydrophobicContact CG-CB 4.32Å; E129-R134 HydrophobicContact CG-CG 4.39Å; E129-R134 IonicContact OE1-CZ 2.71Å; E129-R134 IonicContact OE1-NH1 2.73Å; E129-R134 PolarHBondContact OE1-NH1 2.83Å; E129-R150 PolarHBondContact O-NH1 2.82Å
130	G	60.9	Low	64.5	Low	11 Å²	11	61.1 Å²	61.1	11%	0.113	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-80.1	-18	171.9	0	0	0	0	0	114	E127 A128	E127-G130 WeakPolarHBondContact O-CA 3.45Å; E127-G130 PolarHBondContact O-N 2.89Å; A128-G130 PolarHBondContact O-N 3.22Å
131	L	69.2	Low	62.4	Low	6 Å²	6	59.3 Å²	59.3	3%	0.031	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	3.7	-175.9	-57.4	-172.7	0	0	0	114.2	W126 A128 L149 L171 N173 W178 W199	W126-L131 HydrophobicContact CB-CD2 3.71Å; W126-L131 HydrophobicContact CB-CG 4.19Å; W126-L131 HydrophobicContact CG-CD2 3.92Å; A128-L131 PolarHBondContact O-N 3.14Å; L131-L149 HydrophobicContact CD2-CD2 3.76Å; L131-L171 HydrophobicContact CB-CD2 4.29Å; L131-L171 HydrophobicContact CD1-CD2 3.84Å; L131-N173 PolarHBondContact O-ND2 3.26Å; L131-W178 HydrophobicContact CD1-CB 4.36Å; L131-W178 HydrophobicContact CD1-CD2 3.93Å; L131-W178 HydrophobicContact CD1-CE3 4.07Å; L131-W178 HydrophobicContact CD1-CG 4.06Å; L131-W178 HydrophobicContact CD2-CD2 3.93Å; L131-W178 HydrophobicContact CD2-CE3 3.81Å; L131-W178 HydrophobicContact CD2-CH2 3.55Å; L131-W178 HydrophobicContact CD2-CZ2 3.67Å; L131-W178 HydrophobicContact CD2-CZ3 3.63Å; L131-W199 HydrophobicContact CD1-CB 3.68Å; L131-W199 HydrophobicContact CD1-CD2 4.02Å; L131-W199 HydrophobicContact CD1-CE3 4.38Å; L131-W199 HydrophobicContact CD1-CG 3.73Å
132	G	61.6	Low	60.1	Low	46 Å²	46	63 Å²	63	47%	0.474	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	2.6	-179.6	0	0	0	0	0	115.3	R134	G132-R134 PolarHBondContact O-N 3.5Å; G132-R134 VanDerWaalsContact O-N 3.12Å
133	L	54.7	Low	57.7	Low	19 Å²	19	61.7 Å²	61.7	10%	0.099	43%	0.434	C	S	.	.			trans	-65.5	-11.2	-175.7	-74.2	172.3	0	0	0	115.9	A128 L171 E462	A128-L133 HydrophobicContact CB-CD1 3.71Å; L133-L171 HydrophobicContact CD1-CD2 3.82Å; L133-L171 HydrophobicContact CD2-CD1 3.79Å; L133-L171 HydrophobicContact CD2-CD2 3.88Å; L133-L171 HydrophobicContact CD2-CG 4.48Å; L133-L171 HydrophobicContact CG-CD2 3.93Å; L133-E462 HydrophobicContact CD2-CG 4.1Å
134	R	51.8	Low	55	Low	143 Å²	143	67.7 Å²	67.7	54%	0.54	47%	0.471	S	S	.	.	S	Bend	trans	-134.4	129.8	-179.3	-67.6	-173.5	177.8	164.7	-3.7	110.4	E129 G132 G136	E129-R134 HydrophobicContact CG-CB 4.32Å; E129-R134 HydrophobicContact CG-CG 4.39Å; E129-R134 IonicContact OE1-CZ 2.71Å; E129-R134 IonicContact OE1-NH1 2.73Å; E129-R134 PolarHBondContact OE1-NH1 2.83Å; G132-R134 PolarHBondContact O-N 3.5Å; G132-R134 VanDerWaalsContact O-N 3.12Å; R134-G136 VanDerWaalsContact C-N 3.26Å; R134-G136 PolarHBondContact O-N 3.05Å
135	V	42.9	Very low	52.8	Low	108 Å²	108	68.9 Å²	68.9	66%	0.655	49%	0.49	S	S	*	.			trans	-76.7	75.7	-177.1	-173.6	0	0	0	0	110.8	P461	V135-P461 HydrophobicContact CG2-CG 4.33Å
136	G	37.8	Very low	50.9	Low	48 Å²	48	70.8 Å²	70.8	50%	0.495	50%	0.504	S	S	.	.			trans	-98.3	73.7	178.5	0	0	0	0	0	113.3	R134	R134-G136 VanDerWaalsContact C-N 3.26Å; R134-G136 PolarHBondContact O-N 3.05Å
137	A	33	Very low	49.1	Very low	90 Å²	90	72.2 Å²	72.2	74%	0.744	53%	0.526	S	S	*	.	S	Bend	trans	60.4	126.2	170.9	0	0	0	0	0	119
138	A	36.8	Very low	47.8	Very low	108 Å²	108	75.5 Å²	75.5	89%	0.893	55%	0.552	S	S	*	*			trans	57	93.4	163.5	0	0	0	0	0	118.2
139	G	33.4	Very low	47.2	Very low	72 Å²	72	77.2 Å²	77.2	74%	0.742	56%	0.56	S	S	*	*			trans	-106.4	156.7	159.4	0	0	0	0	0	112.1
140	P	35	Very low	47.3	Very low	130 Å²	130	79.4 Å²	79.4	84%	0.844	56%	0.564	S	S	*	*			trans	-86.7	-177.6	-173.9	36	-37.1	0	0	0	114.7
141	A	31.1	Very low	48.1	Very low	81 Å²	81	83.1 Å²	83.1	67%	0.669	59%	0.594	S	S	*	*			trans	-59.4	155.1	-174.4	0	0	0	0	0	115.3
142	P	33.4	Very low	48.7	Very low	124 Å²	124	84.6 Å²	84.6	81%	0.805	61%	0.607	S	S	*	*	S	Bend	trans	-75.1	153.4	-172.7	31.2	-36.9	0	0	0	113.7
143	G	35.4	Very low	49.8	Very low	81 Å²	81	90.3 Å²	90.3	84%	0.835	61%	0.614	S	S	*	*	S	Bend	trans	131	-15.1	169.9	0	0	0	0	0	115.3
144	T	31.5	Very low	51.3	Low	132 Å²	132	92.4 Å²	92.4	81%	0.81	63%	0.626	S	S	*	*	S	Bend	trans	-119.2	148.4	173.8	49.7	0	0	0	0	111.2
145	G	43.3	Very low	53.1	Low	66 Å²	66	87.7 Å²	87.7	68%	0.68	61%	0.614	S	S	*	*	S	Bend	trans	-71	160.6	-176.4	0	0	0	0	0	113.7
146	S	50.7	Low	55.3	Low	41 Å²	41	82.6 Å²	82.6	29%	0.287	58%	0.583	S	S	.	*	S	Bend	trans	14.3	104.4	168.4	64.1	0	0	0	0	116	D443	S146-D443 VanDerWaalsContact CB-OD2 3.31Å; S146-D443 WeakPolarHBondContact CB-OD2 3.44Å
147	G	53.3	Low	57.7	Low	54 Å²	54	85.2 Å²	85.2	56%	0.557	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-50.9	154.3	177.7	0	0	0	0	0	113.4	L149 H175	G147-L149 PolarHBondContact O-N 2.52Å; G147-H175 PolarHBondContact O-CE1 3.23Å; G147-H175 PolarHBondContact O-NE2 3.18Å
148	P	58.2	Low	60.2	Low	127 Å²	127	81.2 Å²	81.2	83%	0.825	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-57.8	129.2	-170.3	23.5	-34	0	0	0	111.6	R150	P148-R150 PolarHBondContact O-N 3.45Å
149	L	66.9	Low	62.3	Low	47 Å²	47	84.4 Å²	84.4	25%	0.246	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-49.2	133.5	171.7	-84.2	165.2	0	0	0	110	W126 L131 G147 H175 W178	W126-L149 HydrophobicContact CZ2-CD1 4.26Å; L131-L149 HydrophobicContact CD2-CD2 3.76Å; G147-L149 PolarHBondContact O-N 2.52Å; L149-H175 HydrophobicContact CD1-CB 3.99Å; L149-H175 HydrophobicContact CG-CB 4.34Å; L149-W178 HydrophobicContact CD1-CH2 3.97Å; L149-W178 HydrophobicContact CD1-CZ2 4.09Å; L149-W178 HydrophobicContact CD2-CH2 3.96Å; L149-W178 HydrophobicContact CD2-CZ2 3.92Å
150	R	73.5	Confident	64.1	Low	133 Å²	133	85.9 Å²	85.9	50%	0.502	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-63.3	156.4	167.3	-63.1	-176.3	173.6	172.9	-5.3	108.9	W126 E129 P148 A152	W126-R150 PolarHBondContact NE1-O 3.32Å; E129-R150 PolarHBondContact O-NH1 2.82Å; P148-R150 PolarHBondContact O-N 3.45Å; R150-A152 PolarHBondContact O-N 3.38Å
151	A	77.4	Confident	65.7	Low	89 Å²	89	80.9 Å²	80.9	74%	0.736	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-56	138.3	177.8	0	0	0	0	0	110.9
152	A	81.6	Confident	68.2	Low	37 Å²	37	78.7 Å²	78.7	31%	0.306	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-60.1	147.1	171.1	0	0	0	0	0	110.1	P124 V125 W126 R150	P124-A152 HydrophobicContact CB-CB 3.48Å; P124-A152 VanDerWaalsContact CB-CB 3.48Å; V125-A152 CarbonylContact O-C 3.58Å; V125-A152 WeakPolarHBondContact O-CA 3.32Å; W126-A152 HydrophobicContact CD2-CB 4.06Å; W126-A152 HydrophobicContact CE3-CB 4.42Å; W126-A152 HydrophobicContact CZ2-CB 4.11Å; R150-A152 PolarHBondContact O-N 3.38Å
153	R	85.1	Confident	70.6	Confident	166 Å²	166	75 Å²	75	63%	0.626	45%	0.452	S	S	*	.	S	Bend	trans	-81	-37.5	179.6	-66.3	-57.9	-162.1	165.1	11.9	112.5	V125 E127 L195	V125-R153 PolarHBondContact O-N 3.01Å; E127-R153 HydrophobicContact CG-CG 4.05Å; E127-R153 IonicContact OE2-CZ 2.73Å; E127-R153 IonicContact OE2-NE 2.79Å; E127-R153 PolarHBondContact OE2-NE 3.18Å; E127-R153 IonicContact OE2-NH2 3.85Å; E127-R153 PolarHBondContact OE2-NH2 3.5Å; R153-L195 HydrophobicContact CB-CD1 4.32Å; R153-L195 HydrophobicContact CB-CD2 4.29Å; R153-L195 HydrophobicContact CG-CD2 4.24Å
154	D	86.1	Confident	73.2	Confident	64 Å²	64	71.2 Å²	71.2	34%	0.342	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	-175.9	-174.6	-147.4	-35.6	0	0	0	110.6	P124 V125 L190	P124-D154 CarbonylContact C-O 3.5Å; P124-D154 WeakPolarHBondContact CA-O 3.34Å; V125-D154 HydrophobicContact CB-CB 4.43Å; V125-D154 PolarHBondContact N-O 2.85Å; D154-L190 HydrophobicContact CB-CD1 3.92Å
155	S	89.5	Confident	76	Confident	43 Å²	43	68.4 Å²	68.4	30%	0.301	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	121.2	175.5	-69.5	0	0	0	0	113.7	L123 P124	L123-S155 CarbonylContact O-C 3.57Å; L123-S155 WeakPolarHBondContact O-CA 3.37Å; P124-S155 WeakPolarHBondContact CA-OG 3.39Å
156	I	89.2	Confident	78.4	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.2	176.3	-65	173.4	0	0	0	109.7	L123 V125 L158 L181 L186 H189 L190 L200	L123-I156 PolarHBondContact N-O 2.98Å; L123-I156 PolarHBondContact O-N 3.03Å; V125-I156 HydrophobicContact CG2-CD1 3.97Å; V125-I156 HydrophobicContact CG2-CG1 3.86Å; I156-L158 HydrophobicContact CG2-CD2 3.81Å; I156-L158 HydrophobicContact CG2-CG 4.1Å; I156-L181 HydrophobicContact CD1-CD2 4.03Å; I156-L186 HydrophobicContact CD1-CD2 4.41Å; I156-H189 HydrophobicContact CB-CB 4.43Å; I156-H189 HydrophobicContact CD1-CB 4.06Å; I156-H189 HydrophobicContact CG1-CB 3.88Å; I156-H189 HydrophobicContact CG2-CB 3.85Å; I156-L190 HydrophobicContact CG1-CD1 4.17Å; I156-L190 HydrophobicContact CG1-CD2 4.08Å; I156-L190 HydrophobicContact CG1-CG 4.08Å; I156-L200 HydrophobicContact CD1-CD1 4.37Å
157	E	87.7	Confident	80.3	Confident	103 Å²	103	63.3 Å²	63.3	48%	0.481	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.1	176.2	-166.8	-169.8	-150.9	0	0	111.6	R120 L122	R120-E157 HydrophobicContact CB-CG 4.32Å; R120-E157 WeakPolarHBondContact CD-OE1 3.29Å; R120-E157 IonicContact CZ-OE1 3.65Å; R120-E157 IonicContact CZ-OE2 3.85Å; R120-E157 IonicContact NE-OE1 3.71Å; R120-E157 IonicContact NH1-OE1 2.82Å; R120-E157 PolarHBondContact NH1-OE1 3.34Å; R120-E157 IonicContact NH1-OE2 2.78Å; R120-E157 PolarHBondContact NH1-OE2 2.96Å; L122-E157 HydrophobicContact CD2-CB 3.83Å; L122-E157 HydrophobicContact CD2-CG 4.02Å
158	L	84.6	Confident	82	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.037	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.1	175.3	-63.1	-171.1	0	0	0	112.4	L111 R120 V121 L123 I156 V164	L111-L158 HydrophobicContact CD2-CB 4.15Å; R120-L158 CarbonylContact C-O 3.55Å; R120-L158 VanDerWaalsContact CA-O 3.26Å; R120-L158 WeakPolarHBondContact CA-O 3.1Å; V121-L158 PolarHBondContact N-O 2.88Å; V121-L158 PolarHBondContact O-N 3.47Å; L123-L158 HydrophobicContact CD1-CD1 3.53Å; L123-L158 HydrophobicContact CD1-CG 4.07Å; I156-L158 HydrophobicContact CG2-CD2 3.81Å; I156-L158 HydrophobicContact CG2-CG 4.1Å; L158-V164 HydrophobicContact CD1-CB 4.05Å; L158-V164 HydrophobicContact CD1-CG1 4.23Å
159	R	80.9	Confident	83.6	Confident	175 Å²	175	56 Å²	56	66%	0.66	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	151.2	169.4	-60.1	-176.1	-174.9	-177.4	3.4	110.7	R120 G161 A162	R120-R159 HydrophobicContact CG-CG 4.48Å; R159-G161 PolarHBondContact O-N 3.44Å; R159-G161 VanDerWaalsContact O-N 3.16Å; R159-A162 WeakPolarHBondContact O-CB 3.35Å; R159-A162 PolarHBondContact O-N 3.44Å
160	R	71.5	Confident	84.8	Confident	102 Å²	102	58.4 Å²	58.4	39%	0.385	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	121.3	177.2	-173.4	179.6	-63.2	-165.8	0.6	111.6	D114 P115 G117 P118 S119 A162	D114-R160 VanDerWaalsContact O-CZ 3.25Å; D114-R160 PolarHBondContact O-NH1 3.08Å; P115-R160 PolarHBondContact O-NH1 2.67Å; G117-R160 VanDerWaalsContact C-NH2 3.3Å; G117-R160 PolarHBondContact O-NH2 3.32Å; P118-R160 PolarHBondContact O-NH2 3.39Å; S119-R160 PolarHBondContact O-N 3.34Å; R160-A162 VanDerWaalsContact C-N 3.33Å
161	G	69.8	Low	85.6	Confident	25 Å²	25	52.3 Å²	52.3	26%	0.258	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	2.3	179.4	0	0	0	0	0	116	K110 R159	K110-G161 VanDerWaalsContact CE-O 3.29Å; K110-G161 WeakPolarHBondContact CE-O 3.33Å; R159-G161 PolarHBondContact O-N 3.44Å; R159-G161 VanDerWaalsContact O-N 3.16Å
162	A	81.8	Confident	86.1	Confident	36 Å²	36	48.4 Å²	48.4	30%	0.298	24%	0.24	S	C	.	.			trans	-65	166.4	163.8	0	0	0	0	0	111.2	L111 R159 R160	L111-A162 PolarHBondContact N-O 2.84Å; L111-A162 VanDerWaalsContact N-O 3.12Å; R159-A162 WeakPolarHBondContact O-CB 3.35Å; R159-A162 PolarHBondContact O-N 3.44Å; R160-A162 VanDerWaalsContact C-N 3.33Å
163	C	85.7	Confident	86.4	Confident	46 Å²	46	46.8 Å²	46.8	31%	0.311	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.7	174.4	-51.1	0	0	0	0	109.3	Y109 I215	Y109-C163 CarbonylContact O-C 3.6Å; Y109-C163 WeakPolarHBondContact O-CA 3.37Å; C163-I215 VanDerWaalsContact SG-CD1 3.56Å
164	V	89	Confident	86.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.8	167.7	56	0	0	0	0	108.2	Y109 L158 T166 L181 L200 L212	Y109-V164 PolarHBondContact N-O 2.66Å; Y109-V164 PolarHBondContact O-N 2.97Å; L158-V164 HydrophobicContact CD1-CB 4.05Å; L158-V164 HydrophobicContact CD1-CG1 4.23Å; V164-T166 HydrophobicContact CG1-CG2 4.41Å; V164-T166 HydrophobicContact CG2-CG2 4.31Å; V164-L181 HydrophobicContact CG2-CD2 4.05Å; V164-L200 HydrophobicContact CG1-CD1 4.31Å; V164-L200 HydrophobicContact CG2-CD1 4.1Å; V164-L212 HydrophobicContact CG1-CD1 4.23Å; V164-L212 HydrophobicContact CG1-CD2 3.94Å
165	R	90.9	Very high	86	Confident	73 Å²	73	39.2 Å²	39.2	28%	0.275	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.7	172.9	-155.5	-174.1	-31.8	155	14.6	109.4	E106 L108 E188	E106-R165 HydrophobicContact CB-CG 4.33Å; E106-R165 WeakPolarHBondContact OE1-CD 3.17Å; E106-R165 IonicContact OE1-CZ 3.33Å; E106-R165 IonicContact OE1-NE 2.7Å; E106-R165 IonicContact OE1-NH1 3.31Å; E106-R165 PolarHBondContact OE1-NH1 2.8Å; L108-R165 HydrophobicContact CD2-CB 3.98Å; L108-R165 HydrophobicContact CD2-CG 3.91Å; R165-E188 IonicContact CZ-OE1 3.81Å; R165-E188 IonicContact CZ-OE2 2.81Å; R165-E188 IonicContact NE-OE2 3.7Å; R165-E188 IonicContact NH1-OE1 2.71Å; R165-E188 IonicContact NH2-OE1 3.16Å; R165-E188 PolarHBondContact NH2-OE1 2.93Å; R165-E188 IonicContact NH2-OE2 3.39Å; R165-E188 PolarHBondContact NH2-OE2 3.27Å
166	T	92.2	Very high	85.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	172.2	178.4	71.7	0	0	0	0	108.6	E106 V107 Y109 V164 V179 K180 L181 Q185	E106-T166 CarbonylContact C-O 3.6Å; E106-T166 WeakPolarHBondContact CA-O 3.42Å; V107-T166 PolarHBondContact N-O 2.95Å; V107-T166 PolarHBondContact O-N 2.86Å; Y109-T166 HydrophobicContact CD2-CG2 4.06Å; Y109-T166 VanDerWaalsContact CD2-OG1 3.28Å; Y109-T166 WeakPolarHBondContact CD2-OG1 3.46Å; Y109-T166 VanDerWaalsContact CE2-OG1 3.22Å; Y109-T166 WeakPolarHBondContact CE2-OG1 3.3Å; V164-T166 HydrophobicContact CG1-CG2 4.41Å; V164-T166 HydrophobicContact CG2-CG2 4.31Å; T166-V179 HydrophobicContact CG2-CB 4.44Å; T166-V179 HydrophobicContact CG2-CG2 3.89Å; T166-K180 WeakPolarHBondContact CB-O 3.27Å; T166-L181 HydrophobicContact CG2-CD1 3.95Å; T166-L181 HydrophobicContact CG2-CG 4.02Å; T166-Q185 VanDerWaalsContact C-OE1 3.26Å; T166-Q185 PolarHBondContact O-NE2 3.3Å
167	T	92.2	Very high	85.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.			trans	-72.8	170.5	158.7	71.9	0	0	0	0	110.3	Q105 E169 K180 T182 Y260	Q105-T167 WeakPolarHBondContact O-CA 3.35Å; T167-E169 VanDerWaalsContact C-N 3.27Å; T167-E169 WeakPolarHBondContact OG1-CB 3.06Å; T167-E169 PolarHBondContact OG1-N 3.28Å; T167-E169 VanDerWaalsContact OG1-N 3.14Å; T167-K180 PolarHBondContact N-O 3.35Å; T167-K180 PolarHBondContact OG1-O 3.02Å; T167-T182 HydrophobicContact CG2-CG2 3.65Å; T167-Y260 HydrophobicContact CG2-CD1 3.78Å; T167-Y260 HydrophobicContact CG2-CE1 3.81Å; T167-Y260 HydrophobicContact CG2-CG 4.31Å
168	G	88.7	Confident	85.9	Confident	14 Å²	14	33 Å²	33	14%	0.144	17%	0.169	C	C	.	.	S	Bend	trans	-84.2	12.5	165.6	0	0	0	0	0	114.7	V103 P104 E170	V103-G168 VanDerWaalsContact CG1-C 3.42Å; P104-G168 PolarHBondContact O-N 2.82Å; G168-E170 PolarHBondContact O-N 3Å
169	E	92.1	Very high	86.3	Confident	15 Å²	15	32.7 Å²	32.7	7%	0.07	17%	0.167	C	C	.	.			trans	-77.8	112.2	175.3	-169.8	179.2	-179.7	0	0	109.5	V103 T167 K180 W199 Y260 A263 R266 R466	V103-E169 HydrophobicContact CG1-CB 4.33Å; T167-E169 VanDerWaalsContact C-N 3.27Å; T167-E169 WeakPolarHBondContact OG1-CB 3.06Å; T167-E169 PolarHBondContact OG1-N 3.28Å; T167-E169 VanDerWaalsContact OG1-N 3.14Å; E169-K180 HydrophobicContact CB-CB 4.13Å; E169-K180 PolarHBondContact O-N 3.18Å; E169-K180 VanDerWaalsContact O-N 3.12Å; E169-K180 WeakPolarHBondContact OE2-CD 3.46Å; E169-K180 IonicContact OE2-NZ 3.59Å; E169-W199 HydrophobicContact CG-CH2 4.01Å; E169-Y260 HydrophobicContact CB-CD1 4.38Å; E169-Y260 HydrophobicContact CB-CE1 4.44Å; E169-Y260 WeakPolarHBondContact OE2-CE1 3.26Å; E169-A263 HydrophobicContact CB-CB 4.23Å; E169-A263 HydrophobicContact CG-CB 4.2Å; E169-R266 IonicContact OE1-CZ 2.79Å; E169-R266 IonicContact OE1-NH1 2.77Å; E169-R266 PolarHBondContact OE1-NH1 3.45Å; E169-R266 IonicContact OE1-NH2 3.32Å; E169-R266 PolarHBondContact OE1-NH2 3.32Å; E169-R266 IonicContact OE2-CZ 2.73Å; E169-R266 IonicContact OE2-NH1 2.76Å; E169-R266 PolarHBondContact OE2-NH1 3.12Å; E169-R266 IonicContact OE2-NH2 2.93Å; E169-R266 PolarHBondContact OE2-NH2 2.82Å; E169-R466 IonicContact OE1-NH2 2.87Å
170	E	90.9	Very high	86.9	Confident	97 Å²	97	24.5 Å²	24.5	45%	0.453	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.7	-179.6	-69.1	-176	141.8	0	0	111.2	Y109 G168 L177 W178 V179	Y109-E170 PolarHBondContact OH-OE1 3.07Å; G168-E170 PolarHBondContact O-N 3Å; E170-L177 HydrophobicContact CB-CD1 4.22Å; E170-W178 WeakPolarHBondContact CA-O 3.38Å; E170-V179 HydrophobicContact CG-CG1 4.01Å
171	L	90.3	Very high	88	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.2	171.1	169.7	71.1	0	0	0	109	L131 L133 L177 W178 W199 A442 Y465	L131-L171 HydrophobicContact CB-CD2 4.29Å; L131-L171 HydrophobicContact CD1-CD2 3.84Å; L133-L171 HydrophobicContact CD1-CD2 3.82Å; L133-L171 HydrophobicContact CD2-CD1 3.79Å; L133-L171 HydrophobicContact CD2-CD2 3.88Å; L133-L171 HydrophobicContact CD2-CG 4.48Å; L133-L171 HydrophobicContact CG-CD2 3.93Å; L171-L177 CarbonylContact O-C 3.49Å; L171-L177 WeakPolarHBondContact O-CA 3.2Å; L171-W178 HydrophobicContact CB-CB 4.25Å; L171-W178 PolarHBondContact N-O 3.4Å; L171-W178 PolarHBondContact O-N 2.88Å; L171-W199 HydrophobicContact CB-CE3 4.3Å; L171-W199 HydrophobicContact CB-CH2 4.06Å; L171-W199 HydrophobicContact CB-CZ3 3.59Å; L171-A442 HydrophobicContact CD1-CB 3.77Å; L171-Y465 HydrophobicContact CD1-CD1 4.18Å; L171-Y465 HydrophobicContact CD1-CE1 3.63Å
172	C	88.6	Confident	89.1	Confident	8 Å²	8	19.7 Å²	19.7	5%	0.054	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.1	169.5	164.4	0	0	0	0	109.7	G176 L177 L438 L440 A442 Y465	C172-G176 WeakPolarHBondContact CA-O 3.36Å; C172-L177 HydrophobicContact CB-CD1 4.3Å; C172-L438 HydrophobicContact CB-CB 4.38Å; C172-L438 VanDerWaalsContact SG-CB 3.56Å; C172-L440 WeakPolarHBondContact CB-O 3.49Å; C172-L440 PolarHBondContact SG-O 2.93Å; C172-L440 VanDerWaalsContact SG-O 3.32Å; C172-A442 WeakPolarHBondContact O-CB 3.4Å; C172-A442 PolarHBondContact O-N 2.98Å; C172-Y465 PolarHBondContact N-OH 2.87Å; C172-Y465 VanDerWaalsContact N-OH 3.17Å
173	N	87.1	Confident	89.5	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	-178.1	171.2	73.5	5.8	0	0	0	110.7	L131 H175 G176 W178 N441	L131-N173 PolarHBondContact O-ND2 3.26Å; N173-H175 PolarHBondContact O-N 3.46Å; N173-H175 VanDerWaalsContact O-N 3.1Å; N173-H175 WeakPolarHBondContact OD1-CB 3.26Å; N173-H175 PolarHBondContact OD1-N 3Å; N173-H175 VanDerWaalsContact OD1-N 3.08Å; N173-G176 PolarHBondContact N-O 2.94Å; N173-G176 PolarHBondContact O-N 2.68Å; N173-G176 PolarHBondContact OD1-N 3.38Å; N173-W178 PolarHBondContact OD1-NE1 2.93Å; N173-N441 WeakPolarHBondContact CA-OD1 3.49Å
174	G	80	Confident	89.8	Confident	27 Å²	27	26.5 Å²	26.5	28%	0.278	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.6	-178.8	0	0	0	0	0	114.8	N441 D443	G174-N441 PolarHBondContact N-OD1 3.39Å; G174-D443 WeakPolarHBondContact CA-OD2 3.46Å; G174-D443 PolarHBondContact N-OD2 3Å
175	H	83.6	Confident	89.9	Confident	44 Å²	44	26.9 Å²	26.9	20%	0.204	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-24.3	175.2	-63.1	-77.3	0	0	0	113.3	G147 L149 N173 W178	G147-H175 PolarHBondContact O-CE1 3.23Å; G147-H175 PolarHBondContact O-NE2 3.18Å; L149-H175 HydrophobicContact CD1-CB 3.99Å; L149-H175 HydrophobicContact CG-CB 4.34Å; N173-H175 PolarHBondContact O-N 3.46Å; N173-H175 VanDerWaalsContact O-N 3.1Å; N173-H175 WeakPolarHBondContact OD1-CB 3.26Å; N173-H175 PolarHBondContact OD1-N 3Å; N173-H175 VanDerWaalsContact OD1-N 3.08Å; H175-W178 HydrophobicContact CB-CZ2 3.87Å
176	G	84.9	Confident	89.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.1	-164	176.9	0	0	0	0	0	115.8	C172 N173 W178 C203	C172-G176 WeakPolarHBondContact CA-O 3.36Å; N173-G176 PolarHBondContact N-O 2.94Å; N173-G176 PolarHBondContact O-N 2.68Å; N173-G176 PolarHBondContact OD1-N 3.38Å; G176-W178 PolarHBondContact O-NE1 2.91Å; G176-C203 VanDerWaalsContact CA-O 3.23Å; G176-C203 WeakPolarHBondContact CA-O 3.46Å
177	L	87.5	Confident	89.8	Confident	16 Å²	16	25.6 Å²	25.6	8%	0.084	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.6	173.7	178.2	64.5	0	0	0	109.2	E170 L171 C172 V202 C203 L438	E170-L177 HydrophobicContact CB-CD1 4.22Å; L171-L177 CarbonylContact O-C 3.49Å; L171-L177 WeakPolarHBondContact O-CA 3.2Å; C172-L177 HydrophobicContact CB-CD1 4.3Å; L177-V202 HydrophobicContact CB-CB 4.28Å; L177-V202 HydrophobicContact CD2-CB 4.26Å; L177-V202 HydrophobicContact CD2-CG1 4.16Å; L177-V202 HydrophobicContact CG-CB 4.14Å; L177-V202 HydrophobicContact CG-CG2 4.27Å; L177-V202 WeakPolarHBondContact O-CB 3.47Å; L177-V202 PolarHBondContact O-N 3.1Å; L177-C203 PolarHBondContact N-O 3.15Å; L177-L438 HydrophobicContact CB-CB 4.27Å; L177-L438 HydrophobicContact CB-CD1 4.28Å; L177-L438 HydrophobicContact CB-CD2 4.22Å
178	W	92.1	Very high	89.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.3	-173.4	-54.7	86.8	0	0	0	110.7	W126 L131 L149 E170 L171 N173 H175 G176 W199 L200 L201	W126-W178 HydrophobicContact CD2-CH2 4.08Å; W126-W178 AromaticContact CD2-CZ3 3.84Å; W126-W178 HydrophobicContact CD2-CZ3 3.84Å; W126-W178 HydrophobicContact CE3-CH2 4.01Å; W126-W178 AromaticContact CE3-CZ3 3.44Å; W126-W178 HydrophobicContact CE3-CZ3 3.44Å; W126-W178 VanDerWaalsContact CE3-CZ3 3.44Å; W126-W178 HydrophobicContact CG-CZ3 4.39Å; W126-W178 HydrophobicContact CH2-CH2 4.28Å; W126-W178 HydrophobicContact CH2-CZ3 4.36Å; W126-W178 HydrophobicContact CZ2-CH2 4.4Å; W126-W178 HydrophobicContact CZ3-CH2 4.08Å; W126-W178 AromaticContact CZ3-CZ3 3.71Å; W126-W178 HydrophobicContact CZ3-CZ3 3.71Å; L131-W178 HydrophobicContact CD1-CB 4.36Å; L131-W178 HydrophobicContact CD1-CD2 3.93Å; L131-W178 HydrophobicContact CD1-CE3 4.07Å; L131-W178 HydrophobicContact CD1-CG 4.06Å; L131-W178 HydrophobicContact CD2-CD2 3.93Å; L131-W178 HydrophobicContact CD2-CE3 3.81Å; L131-W178 HydrophobicContact CD2-CH2 3.55Å; L131-W178 HydrophobicContact CD2-CZ2 3.67Å; L131-W178 HydrophobicContact CD2-CZ3 3.63Å; L149-W178 HydrophobicContact CD1-CH2 3.97Å; L149-W178 HydrophobicContact CD1-CZ2 4.09Å; L149-W178 HydrophobicContact CD2-CH2 3.96Å; L149-W178 HydrophobicContact CD2-CZ2 3.92Å; E170-W178 WeakPolarHBondContact CA-O 3.38Å; L171-W178 HydrophobicContact CB-CB 4.25Å; L171-W178 PolarHBondContact N-O 3.4Å; L171-W178 PolarHBondContact O-N 2.88Å; N173-W178 PolarHBondContact OD1-NE1 2.93Å; H175-W178 HydrophobicContact CB-CZ2 3.87Å; G176-W178 PolarHBondContact O-NE1 2.91Å; W178-W199 HydrophobicContact CB-CE3 3.9Å; W178-W199 HydrophobicContact CB-CZ3 4.49Å; W178-W199 HydrophobicContact CE3-CB 4.49Å; W178-L200 VanDerWaalsContact CA-O 3.29Å; W178-L200 WeakPolarHBondContact CA-O 3.38Å; W178-L201 HydrophobicContact CD2-CB 4.49Å; W178-L201 HydrophobicContact CD2-CD1 4.12Å; W178-L201 HydrophobicContact CE3-CB 3.9Å; W178-L201 HydrophobicContact CE3-CD1 4.36Å; W178-L201 HydrophobicContact CH2-CB 4.04Å; W178-L201 HydrophobicContact CH2-CD1 4.14Å; W178-L201 HydrophobicContact CH2-CG 4.48Å; W178-L201 HydrophobicContact CZ2-CD1 3.87Å; W178-L201 HydrophobicContact CZ3-CB 3.64Å; W178-L201 HydrophobicContact CZ3-CD1 4.36Å
179	V	92.8	Very high	89.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.1	174.6	-73	0	0	0	0	111	Y109 T166 E170 W199 L200 V202	Y109-V179 HydrophobicContact CE1-CG1 4.28Å; Y109-V179 HydrophobicContact CE2-CB 4.4Å; Y109-V179 HydrophobicContact CE2-CG1 3.85Å; Y109-V179 HydrophobicContact CE2-CG2 4.49Å; Y109-V179 WeakPolarHBondContact OH-CG1 3.43Å; T166-V179 HydrophobicContact CG2-CB 4.44Å; T166-V179 HydrophobicContact CG2-CG2 3.89Å; E170-V179 HydrophobicContact CG-CG1 4.01Å; V179-W199 WeakPolarHBondContact O-CA 3.41Å; V179-L200 HydrophobicContact CG2-CB 4.2Å; V179-L200 PolarHBondContact N-O 2.92Å; V179-L200 PolarHBondContact O-N 2.79Å; V179-V202 HydrophobicContact CB-CG2 4.13Å; V179-V202 HydrophobicContact CG1-CG2 3.56Å; V179-V202 HydrophobicContact CG2-CG2 3.64Å
180	K	93.4	Very high	89.5	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.017	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	139.9	-177.1	-171.7	-173.2	-178.2	178.1	0	113.2	T166 T167 E169 E197 G198 W199 Y260	T166-K180 WeakPolarHBondContact CB-O 3.27Å; T167-K180 PolarHBondContact N-O 3.35Å; T167-K180 PolarHBondContact OG1-O 3.02Å; E169-K180 HydrophobicContact CB-CB 4.13Å; E169-K180 PolarHBondContact O-N 3.18Å; E169-K180 VanDerWaalsContact O-N 3.12Å; E169-K180 WeakPolarHBondContact OE2-CD 3.46Å; E169-K180 IonicContact OE2-NZ 3.59Å; K180-E197 VanDerWaalsContact CE-CB 3.41Å; K180-E197 WeakPolarHBondContact CE-OE2 2.84Å; K180-E197 IonicContact NZ-OE2 2.73Å; K180-E197 PolarHBondContact NZ-OE2 2.89Å; K180-G198 CarbonylContact C-O 3.57Å; K180-G198 WeakPolarHBondContact CA-O 3.4Å; K180-W199 HydrophobicContact CB-CD2 3.95Å; K180-W199 HydrophobicContact CB-CE3 3.89Å; K180-W199 HydrophobicContact CB-CH2 3.85Å; K180-W199 HydrophobicContact CB-CZ2 3.87Å; K180-W199 HydrophobicContact CB-CZ3 3.84Å; K180-W199 HydrophobicContact CD-CH2 4.42Å; K180-W199 HydrophobicContact CD-CZ2 3.89Å; K180-W199 HydrophobicContact CG-CD2 4.27Å; K180-W199 HydrophobicContact CG-CH2 4.44Å; K180-W199 HydrophobicContact CG-CZ2 3.97Å; K180-Y260 HydrophobicContact CD-CE1 4.17Å; K180-Y260 PolarHBondContact NZ-OH 3.18Å
181	L	93.9	Very high	89.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.3	167.2	-67	84.4	0	0	0	110.2	I156 V164 T166 Q185 L186 E197 G198 L200	I156-L181 HydrophobicContact CD1-CD2 4.03Å; V164-L181 HydrophobicContact CG2-CD2 4.05Å; T166-L181 HydrophobicContact CG2-CD1 3.95Å; T166-L181 HydrophobicContact CG2-CG 4.02Å; L181-Q185 HydrophobicContact CB-CB 4.02Å; L181-Q185 HydrophobicContact CD2-CB 4.24Å; L181-Q185 HydrophobicContact CG-CB 4.37Å; L181-L186 HydrophobicContact CB-CD2 4.03Å; L181-L186 HydrophobicContact CB-CG 4.04Å; L181-L186 HydrophobicContact CD2-CD2 4.1Å; L181-E197 WeakPolarHBondContact O-CA 3.29Å; L181-G198 PolarHBondContact N-O 2.61Å; L181-G198 PolarHBondContact O-N 3.18Å; L181-G198 VanDerWaalsContact O-N 3.13Å; L181-L200 HydrophobicContact CD1-CB 4.33Å; L181-L200 HydrophobicContact CD1-CD1 3.8Å; L181-L200 HydrophobicContact CD1-CG 3.64Å; L181-L200 HydrophobicContact CD2-CD1 4.49Å
182	T	92.8	Very high	88.8	Confident	26 Å²	26	37.4 Å²	37.4	16%	0.16	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	165.2	167.4	67.8	0	0	0	0	111.2	T167 E184 Q185 L186	T167-T182 HydrophobicContact CG2-CG2 3.65Å; T182-E184 PolarHBondContact O-N 3.4Å; T182-E184 PolarHBondContact OG1-N 3.09Å; T182-Q185 VanDerWaalsContact N-OE1 3.15Å; T182-Q185 PolarHBondContact O-N 3.03Å; T182-Q185 VanDerWaalsContact O-N 3.14Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.49Å; T182-Q185 PolarHBondContact OG1-N 3.36Å; T182-L186 PolarHBondContact O-N 3.44Å
183	K	91.4	Very high	88.5	Confident	76 Å²	76	38.9 Å²	38.9	33%	0.33	22%	0.216	S	C	.	.	H	α-helix	trans	-49.8	-40.8	169.6	-177	170.4	-173.6	-176	0	112.5	L186 A187 D192 L195 Q196	K183-L186 PolarHBondContact O-N 3.45Å; K183-A187 WeakPolarHBondContact O-CB 3.22Å; K183-A187 PolarHBondContact O-N 3.25Å; K183-D192 WeakPolarHBondContact CE-OD1 3.42Å; K183-D192 IonicContact NZ-OD1 3.13Å; K183-D192 PolarHBondContact NZ-OD1 2.95Å; K183-D192 IonicContact NZ-OD2 2.7Å; K183-L195 WeakPolarHBondContact CG-O 3.35Å; K183-Q196 WeakPolarHBondContact CB-O 3.49Å; K183-Q196 PolarHBondContact N-O 3.33Å; K183-Q196 VanDerWaalsContact N-O 3.11Å
184	E	90.9	Very high	88.3	Confident	149 Å²	149	41.1 Å²	41.1	70%	0.696	24%	0.24	S	C	*	.	H	α-helix	trans	-65	-46.8	179.5	-59.1	175.6	155.5	0	0	111.4	T182 L186 A187 E188	T182-E184 PolarHBondContact O-N 3.4Å; T182-E184 PolarHBondContact OG1-N 3.09Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.26Å; E184-A187 WeakPolarHBondContact O-CB 3.21Å; E184-A187 PolarHBondContact O-N 3.04Å; E184-A187 VanDerWaalsContact O-N 3.11Å; E184-E188 WeakPolarHBondContact O-CG 3.47Å; E184-E188 PolarHBondContact O-N 3.11Å
185	Q	91.9	Very high	88.5	Confident	9 Å²	9	40.7 Å²	40.7	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-31.1	178.4	-69.7	168.5	-10.7	0	0	112.7	Q105 T166 L181 T182	Q105-Q185 PolarHBondContact O-NE2 3.39Å; T166-Q185 VanDerWaalsContact C-OE1 3.26Å; T166-Q185 PolarHBondContact O-NE2 3.3Å; L181-Q185 HydrophobicContact CB-CB 4.02Å; L181-Q185 HydrophobicContact CD2-CB 4.24Å; L181-Q185 HydrophobicContact CG-CB 4.37Å; T182-Q185 VanDerWaalsContact N-OE1 3.15Å; T182-Q185 PolarHBondContact O-N 3.03Å; T182-Q185 VanDerWaalsContact O-N 3.14Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.49Å; T182-Q185 PolarHBondContact OG1-N 3.36Å
186	L	91.4	Very high	88.7	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-42	169.2	-70.8	175.4	0	0	0	111.7	V125 I156 L181 T182 K183 E184 E188 H189 L190 L195	V125-L186 HydrophobicContact CG1-CD2 3.92Å; I156-L186 HydrophobicContact CD1-CD2 4.41Å; L181-L186 HydrophobicContact CB-CD2 4.03Å; L181-L186 HydrophobicContact CB-CG 4.04Å; L181-L186 HydrophobicContact CD2-CD2 4.1Å; T182-L186 PolarHBondContact O-N 3.44Å; K183-L186 PolarHBondContact O-N 3.45Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.26Å; L186-E188 PolarHBondContact O-N 3.23Å; L186-H189 PolarHBondContact O-N 3.35Å; L186-L190 HydrophobicContact CD2-CD1 4.27Å; L186-L190 PolarHBondContact O-N 2.85Å; L186-L195 HydrophobicContact CD1-CB 3.77Å; L186-L195 HydrophobicContact CD1-CD1 4.15Å
187	A	90.1	Very high	89	Confident	44 Å²	44	47.5 Å²	47.5	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-64.7	-25.3	-177.8	0	0	0	0	0	113.6	K183 E184 H189 G191	K183-A187 WeakPolarHBondContact O-CB 3.22Å; K183-A187 PolarHBondContact O-N 3.25Å; E184-A187 WeakPolarHBondContact O-CB 3.21Å; E184-A187 PolarHBondContact O-N 3.04Å; E184-A187 VanDerWaalsContact O-N 3.11Å; A187-H189 PolarHBondContact O-N 2.86Å; A187-G191 WeakPolarHBondContact CA-O 3.41Å; A187-G191 PolarHBondContact O-N 2.88Å; A187-G191 VanDerWaalsContact O-N 3.17Å
188	E	89.7	Confident	89.2	Confident	103 Å²	103	46.7 Å²	46.7	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-21.1	171.5	-54.6	-159.9	153.6	0	0	113.6	R165 E184 L186	R165-E188 IonicContact CZ-OE1 3.81Å; R165-E188 IonicContact CZ-OE2 2.81Å; R165-E188 IonicContact NE-OE2 3.7Å; R165-E188 IonicContact NH1-OE1 2.71Å; R165-E188 IonicContact NH2-OE1 3.16Å; R165-E188 PolarHBondContact NH2-OE1 2.93Å; R165-E188 IonicContact NH2-OE2 3.39Å; R165-E188 PolarHBondContact NH2-OE2 3.27Å; E184-E188 WeakPolarHBondContact O-CG 3.47Å; E184-E188 PolarHBondContact O-N 3.11Å; L186-E188 PolarHBondContact O-N 3.23Å
189	H	87.8	Confident	89.2	Confident	70 Å²	70	46.9 Å²	46.9	32%	0.324	26%	0.259	S	S	.	.	H	α-helix	trans	-118.3	-32.4	-176.4	-69.3	-60.5	0	0	0	114.3	I156 L186 A187	I156-H189 HydrophobicContact CB-CB 4.43Å; I156-H189 HydrophobicContact CD1-CB 4.06Å; I156-H189 HydrophobicContact CG1-CB 3.88Å; I156-H189 HydrophobicContact CG2-CB 3.85Å; L186-H189 PolarHBondContact O-N 3.35Å; A187-H189 PolarHBondContact O-N 2.86Å
190	L	87.4	Confident	89.2	Confident	43 Å²	43	47 Å²	47	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-119.7	-8.6	-170.5	-56.3	174.9	0	0	0	113.8	V125 D154 I156 L186 C193	V125-L190 HydrophobicContact CG2-CD1 4.35Å; D154-L190 HydrophobicContact CB-CD1 3.92Å; I156-L190 HydrophobicContact CG1-CD1 4.17Å; I156-L190 HydrophobicContact CG1-CD2 4.08Å; I156-L190 HydrophobicContact CG1-CG 4.08Å; L186-L190 HydrophobicContact CD2-CD1 4.27Å; L186-L190 PolarHBondContact O-N 2.85Å; L190-C193 HydrophobicContact CB-CB 3.94Å; L190-C193 HydrophobicContact CD1-CB 4.46Å
191	G	85.9	Confident	89	Confident	36 Å²	36	47.3 Å²	47.3	37%	0.371	26%	0.262	S	S	.	.	S	Bend	trans	68.8	-155.8	-167.5	0	0	0	0	0	112.4	A187 C193	A187-G191 WeakPolarHBondContact CA-O 3.41Å; A187-G191 PolarHBondContact O-N 2.88Å; A187-G191 VanDerWaalsContact O-N 3.17Å; G191-C193 VanDerWaalsContact C-N 3.27Å; G191-C193 PolarHBondContact O-N 3.26Å
192	D	82.3	Confident	88.7	Confident	126 Å²	126	47.5 Å²	47.5	67%	0.674	26%	0.263	S	S	*	.	S	Bend	trans	-77.9	77.5	176.7	-164.5	10.8	0	0	0	111.1	K183 G194	K183-D192 WeakPolarHBondContact CE-OD1 3.42Å; K183-D192 IonicContact NZ-OD1 3.13Å; K183-D192 PolarHBondContact NZ-OD1 2.95Å; K183-D192 IonicContact NZ-OD2 2.7Å; D192-G194 PolarHBondContact O-N 3.33Å
193	C	80.6	Confident	88.1	Confident	40 Å²	40	46.2 Å²	46.2	27%	0.27	26%	0.255	S	S	.	.			trans	-78	12.7	179.2	67.7	0	0	0	0	113.6	L190 G191 L195	L190-C193 HydrophobicContact CB-CB 3.94Å; L190-C193 HydrophobicContact CD1-CB 4.46Å; G191-C193 VanDerWaalsContact C-N 3.27Å; G191-C193 PolarHBondContact O-N 3.26Å; C193-L195 PolarHBondContact O-N 3.4Å
194	G	82.7	Confident	87.6	Confident	49 Å²	49	47.3 Å²	47.3	51%	0.505	26%	0.257	S	S	.	.	S	Bend	trans	72.9	-20.5	178.4	0	0	0	0	0	116.2	D192 Q196	D192-G194 PolarHBondContact O-N 3.33Å; G194-Q196 PolarHBondContact O-NE2 3Å
195	L	85.9	Confident	86.6	Confident	18 Å²	18	41.7 Å²	41.7	9%	0.094	23%	0.234	C	C	.	.			trans	-65.4	142	177.1	-57.5	177.1	0	0	0	111.4	V125 E127 R153 K183 L186 C193	V125-L195 HydrophobicContact CG1-CD1 4.24Å; E127-L195 HydrophobicContact CG-CD2 3.91Å; R153-L195 HydrophobicContact CB-CD1 4.32Å; R153-L195 HydrophobicContact CB-CD2 4.29Å; R153-L195 HydrophobicContact CG-CD2 4.24Å; K183-L195 WeakPolarHBondContact CG-O 3.35Å; L186-L195 HydrophobicContact CD1-CB 3.77Å; L186-L195 HydrophobicContact CD1-CD1 4.15Å; C193-L195 PolarHBondContact O-N 3.4Å
196	Q	86.9	Confident	85.2	Confident	135 Å²	135	45.3 Å²	45.3	63%	0.631	27%	0.265	S	S	*	.	S	Bend	trans	-91	-26.6	174.2	-52.7	-53.6	-59.1	0	0	112.1	K183 G194	K183-Q196 WeakPolarHBondContact CB-O 3.49Å; K183-Q196 PolarHBondContact N-O 3.33Å; K183-Q196 VanDerWaalsContact N-O 3.11Å; G194-Q196 PolarHBondContact O-NE2 3Å
197	E	90.3	Very high	84.1	Confident	52 Å²	52	48 Å²	48	24%	0.243	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.8	175	56.8	169	-105.5	0	0	109.6	K180 L181 W199	K180-E197 VanDerWaalsContact CE-CB 3.41Å; K180-E197 WeakPolarHBondContact CE-OE2 2.84Å; K180-E197 IonicContact NZ-OE2 2.73Å; K180-E197 PolarHBondContact NZ-OE2 2.89Å; L181-E197 WeakPolarHBondContact O-CA 3.29Å; E197-W199 PolarHBondContact OE1-NE1 3.46Å
198	G	92.1	Very high	82.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.7	174.7	0	0	0	0	0	111.6	W126 K180 L181	W126-G198 CarbonylContact O-C 3.59Å; W126-G198 WeakPolarHBondContact O-CA 3.37Å; K180-G198 CarbonylContact C-O 3.57Å; K180-G198 WeakPolarHBondContact CA-O 3.4Å; L181-G198 PolarHBondContact N-O 2.61Å; L181-G198 PolarHBondContact O-N 3.18Å; L181-G198 VanDerWaalsContact O-N 3.13Å
199	W	93.4	Very high	80.8	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135	-174.5	-66.6	80.7	0	0	0	110.9	W126 L131 E169 L171 W178 V179 K180 E197	W126-W199 PolarHBondContact N-O 3.33Å; W126-W199 VanDerWaalsContact N-O 3.07Å; W126-W199 PolarHBondContact O-N 2.88Å; L131-W199 HydrophobicContact CD1-CB 3.68Å; L131-W199 HydrophobicContact CD1-CD2 4.02Å; L131-W199 HydrophobicContact CD1-CE3 4.38Å; L131-W199 HydrophobicContact CD1-CG 3.73Å; E169-W199 HydrophobicContact CG-CH2 4.01Å; L171-W199 HydrophobicContact CB-CE3 4.3Å; L171-W199 HydrophobicContact CB-CH2 4.06Å; L171-W199 HydrophobicContact CB-CZ3 3.59Å; W178-W199 HydrophobicContact CB-CE3 3.9Å; W178-W199 HydrophobicContact CB-CZ3 4.49Å; W178-W199 HydrophobicContact CE3-CB 4.49Å; V179-W199 WeakPolarHBondContact O-CA 3.41Å; K180-W199 HydrophobicContact CB-CD2 3.95Å; K180-W199 HydrophobicContact CB-CE3 3.89Å; K180-W199 HydrophobicContact CB-CH2 3.85Å; K180-W199 HydrophobicContact CB-CZ2 3.87Å; K180-W199 HydrophobicContact CB-CZ3 3.84Å; K180-W199 HydrophobicContact CD-CH2 4.42Å; K180-W199 HydrophobicContact CD-CZ2 3.89Å; K180-W199 HydrophobicContact CG-CD2 4.27Å; K180-W199 HydrophobicContact CG-CH2 4.44Å; K180-W199 HydrophobicContact CG-CZ2 3.97Å; E197-W199 PolarHBondContact OE1-NE1 3.46Å
200	L	92.8	Very high	79.3	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.5	177.2	-69.3	-177.4	0	0	0	111.5	L123 P124 V125 I156 V164 W178 V179 L181 V202 L212	L123-L200 HydrophobicContact CB-CD2 3.95Å; L123-L200 HydrophobicContact CD1-CD1 4.35Å; P124-L200 VanDerWaalsContact O-CD2 3.26Å; P124-L200 WeakPolarHBondContact O-CD2 3.46Å; V125-L200 HydrophobicContact CG2-CD2 3.89Å; I156-L200 HydrophobicContact CD1-CD1 4.37Å; V164-L200 HydrophobicContact CG1-CD1 4.31Å; V164-L200 HydrophobicContact CG2-CD1 4.1Å; W178-L200 VanDerWaalsContact CA-O 3.29Å; W178-L200 WeakPolarHBondContact CA-O 3.38Å; V179-L200 HydrophobicContact CG2-CB 4.2Å; V179-L200 PolarHBondContact N-O 2.92Å; V179-L200 PolarHBondContact O-N 2.79Å; L181-L200 HydrophobicContact CD1-CB 4.33Å; L181-L200 HydrophobicContact CD1-CD1 3.8Å; L181-L200 HydrophobicContact CD1-CG 3.64Å; L181-L200 HydrophobicContact CD2-CD1 4.49Å; L200-V202 PolarHBondContact O-N 3.49Å; L200-L212 HydrophobicContact CB-CD1 4.23Å; L200-L212 HydrophobicContact CD1-CD1 4.26Å
201	L	89.2	Confident	78.6	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	109.2	174.5	-178.8	64.5	0	0	0	111	W178 R204	W178-L201 HydrophobicContact CD2-CB 4.49Å; W178-L201 HydrophobicContact CD2-CD1 4.12Å; W178-L201 HydrophobicContact CE3-CB 3.9Å; W178-L201 HydrophobicContact CE3-CD1 4.36Å; W178-L201 HydrophobicContact CH2-CB 4.04Å; W178-L201 HydrophobicContact CH2-CD1 4.14Å; W178-L201 HydrophobicContact CH2-CG 4.48Å; W178-L201 HydrophobicContact CZ2-CD1 3.87Å; W178-L201 HydrophobicContact CZ3-CB 3.64Å; W178-L201 HydrophobicContact CZ3-CD1 4.36Å; L201-R204 HydrophobicContact CD1-CG 4.45Å; L201-R204 HydrophobicContact CD2-CG 3.89Å
202	V	86.3	Confident	78.3	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-48.4	177	-178.2	0	0	0	0	111	Y109 L177 V179 L200 R211 L212	Y109-V202 HydrophobicContact CE1-CG1 4.41Å; Y109-V202 HydrophobicContact CE1-CG2 4.47Å; L177-V202 HydrophobicContact CB-CB 4.28Å; L177-V202 HydrophobicContact CD2-CB 4.26Å; L177-V202 HydrophobicContact CD2-CG1 4.16Å; L177-V202 HydrophobicContact CG-CB 4.14Å; L177-V202 HydrophobicContact CG-CG2 4.27Å; L177-V202 WeakPolarHBondContact O-CB 3.47Å; L177-V202 PolarHBondContact O-N 3.1Å; V179-V202 HydrophobicContact CB-CG2 4.13Å; V179-V202 HydrophobicContact CG1-CG2 3.56Å; V179-V202 HydrophobicContact CG2-CG2 3.64Å; L200-V202 PolarHBondContact O-N 3.49Å; V202-R211 WeakPolarHBondContact O-CB 3.14Å; V202-R211 PolarHBondContact O-N 3.42Å; V202-L212 HydrophobicContact CG1-CB 4.14Å; V202-L212 VanDerWaalsContact CG1-O 3.29Å; V202-L212 WeakPolarHBondContact CG1-O 3.26Å; V202-L212 PolarHBondContact O-N 2.8Å
203	C	81.4	Confident	77.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	159	-177.3	59.6	0	0	0	0	112.2	G176 L177 A210 R436 L438	G176-C203 VanDerWaalsContact CA-O 3.23Å; G176-C203 WeakPolarHBondContact CA-O 3.46Å; L177-C203 PolarHBondContact N-O 3.15Å; C203-A210 HydrophobicContact CB-CB 4.04Å; C203-R436 PolarHBondContact SG-NH1 3Å; C203-R436 VanDerWaalsContact SG-NH1 3.37Å; C203-L438 WeakPolarHBondContact SG-CD2 3.36Å
204	R	80.7	Confident	77.7	Confident	99 Å²	99	42.1 Å²	42.1	37%	0.374	26%	0.261	S	S	.	.			trans	-106.7	155.9	176.5	-58.7	-167.8	174.1	139.3	-15	111.6	L201 A206 E207	L201-R204 HydrophobicContact CD1-CG 4.45Å; L201-R204 HydrophobicContact CD2-CG 3.89Å; R204-A206 PolarHBondContact O-N 3.29Å; R204-E207 HydrophobicContact CB-CB 4.2Å; R204-E207 HydrophobicContact CB-CG 3.98Å; R204-E207 WeakPolarHBondContact CD-OE1 3.41Å; R204-E207 HydrophobicContact CG-CG 4.36Å; R204-E207 IonicContact CZ-OE1 3.6Å; R204-E207 IonicContact NE-OE1 3.77Å; R204-E207 IonicContact NH1-OE1 2.74Å; R204-E207 PolarHBondContact NH1-OE1 3.03Å; R204-E207 PolarHBondContact O-N 3.04Å
205	P	68.9	Low	77.4	Confident	31 Å²	31	41.9 Å²	41.9	20%	0.201	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.9	-179.1	-22.6	33	0	0	0	114.3	Q435 R436 L438	P205-Q435 HydrophobicContact CB-CB 4.4Å; P205-Q435 CarbonylContact O-C 3.46Å; P205-Q435 WeakPolarHBondContact O-CA 3.27Å; P205-R436 PolarHBondContact O-N 3.48Å; P205-L438 HydrophobicContact CB-CD1 4.47Å; P205-L438 HydrophobicContact CG-CD1 3.82Å
206	A	64.1	Low	76.2	Confident	84 Å²	84	45.9 Å²	45.9	69%	0.694	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	3.6	-175.8	0	0	0	0	0	114.6	R204	R204-A206 PolarHBondContact O-N 3.29Å
207	E	66.9	Low	74.7	Confident	59 Å²	59	42.2 Å²	42.2	28%	0.276	26%	0.256	S	S	.	.	S	Bend	trans	-90.5	132.3	175.1	-75.9	-179.6	-178.4	0	0	110.4	R204 G209 R211	R204-E207 HydrophobicContact CB-CB 4.2Å; R204-E207 HydrophobicContact CB-CG 3.98Å; R204-E207 WeakPolarHBondContact CD-OE1 3.41Å; R204-E207 HydrophobicContact CG-CG 4.36Å; R204-E207 IonicContact CZ-OE1 3.6Å; R204-E207 IonicContact NE-OE1 3.77Å; R204-E207 IonicContact NH1-OE1 2.74Å; R204-E207 PolarHBondContact NH1-OE1 3.03Å; R204-E207 PolarHBondContact O-N 3.04Å; E207-G209 PolarHBondContact O-N 3.05Å; E207-R211 VanDerWaalsContact CD-NH2 3.33Å; E207-R211 IonicContact OE1-CZ 2.88Å; E207-R211 IonicContact OE1-NE 3.45Å; E207-R211 IonicContact OE1-NH2 2.67Å; E207-R211 PolarHBondContact OE1-NH2 3.06Å; E207-R211 IonicContact OE2-CZ 2.66Å; E207-R211 IonicContact OE2-NE 2.7Å; E207-R211 PolarHBondContact OE2-NE 3.45Å; E207-R211 IonicContact OE2-NH2 3.18Å; E207-R211 PolarHBondContact OE2-NH2 2.67Å; E207-R211 VanDerWaalsContact OE2-NH2 3.13Å
208	G	52.8	Low	72.4	Confident	90 Å²	90	44.1 Å²	44.1	93%	0.928	27%	0.273	S	S	*	.	S	Bend	trans	-72.9	35.6	-174.6	0	0	0	0	0	115.6
209	G	58.5	Low	70	Confident	16 Å²	16	49.1 Å²	49.1	17%	0.165	30%	0.3	C	S	.	.	S	Bend	trans	168.9	164.3	-177.8	0	0	0	0	0	111.7	E207	E207-G209 PolarHBondContact O-N 3.05Å
210	A	56.2	Low	67.4	Low	15 Å²	15	57.6 Å²	57.6	12%	0.124	34%	0.339	C	S	.	.			trans	-87.3	140.5	170.2	0	0	0	0	0	110.5	Y112 C203 L212 V213	Y112-A210 WeakPolarHBondContact CB-O 3.22Å; C203-A210 HydrophobicContact CB-CB 4.04Å; A210-L212 VanDerWaalsContact CB-O 3.23Å; A210-L212 WeakPolarHBondContact CB-O 3.24Å; A210-V213 HydrophobicContact CB-CG2 4.11Å
211	R	73.5	Confident	64.8	Low	85 Å²	85	63 Å²	63	32%	0.321	37%	0.367	S	S	.	.	S	Bend	trans	-74.4	-41.7	173.8	-60.1	173.5	173	-128.8	-7.2	110	Y112 V202 E207	Y112-R211 PolarHBondContact N-O 3.31Å; V202-R211 WeakPolarHBondContact O-CB 3.14Å; V202-R211 PolarHBondContact O-N 3.42Å; E207-R211 VanDerWaalsContact CD-NH2 3.33Å; E207-R211 IonicContact OE1-CZ 2.88Å; E207-R211 IonicContact OE1-NE 3.45Å; E207-R211 IonicContact OE1-NH2 2.67Å; E207-R211 PolarHBondContact OE1-NH2 3.06Å; E207-R211 IonicContact OE2-CZ 2.66Å; E207-R211 IonicContact OE2-NE 2.7Å; E207-R211 PolarHBondContact OE2-NE 3.45Å; E207-R211 IonicContact OE2-NH2 3.18Å; E207-R211 PolarHBondContact OE2-NH2 2.67Å; E207-R211 VanDerWaalsContact OE2-NH2 3.13Å
212	L	78	Confident	62.2	Low	0 Å²	0	68.9 Å²	68.9	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.7	172.7	-69.6	177.6	0	0	0	109.5	Y109 L123 V164 L200 V202 A210	Y109-L212 HydrophobicContact CD1-CB 3.98Å; Y109-L212 HydrophobicContact CG-CB 4.39Å; L123-L212 HydrophobicContact CD1-CD1 4.35Å; L123-L212 HydrophobicContact CD1-CD2 3.91Å; L123-L212 HydrophobicContact CD1-CG 4.38Å; V164-L212 HydrophobicContact CG1-CD1 4.23Å; V164-L212 HydrophobicContact CG1-CD2 3.94Å; L200-L212 HydrophobicContact CB-CD1 4.23Å; L200-L212 HydrophobicContact CD1-CD1 4.26Å; V202-L212 HydrophobicContact CG1-CB 4.14Å; V202-L212 VanDerWaalsContact CG1-O 3.29Å; V202-L212 WeakPolarHBondContact CG1-O 3.26Å; V202-L212 PolarHBondContact O-N 2.8Å; A210-L212 VanDerWaalsContact CB-O 3.23Å; A210-L212 WeakPolarHBondContact CB-O 3.24Å
213	V	75.8	Confident	59.9	Low	57 Å²	57	80.2 Å²	80.2	35%	0.345	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.5	176	179.7	0	0	0	0	108.3	Y109 K110 Y112 A210 I215	Y109-V213 CarbonylContact C-O 3.57Å; Y109-V213 WeakPolarHBondContact CA-O 3.49Å; K110-V213 PolarHBondContact N-O 3.08Å; K110-V213 PolarHBondContact O-N 3.41Å; Y112-V213 HydrophobicContact CD2-CG2 4.09Å; A210-V213 HydrophobicContact CB-CG2 4.11Å; V213-I215 PolarHBondContact O-N 3.4Å
214	P	76.1	Confident	57.8	Low	74 Å²	74	85.9 Å²	85.9	48%	0.481	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.6	176.5	26.5	-32	0	0	0	109.6	V107 L108 Y109	V107-P214 HydrophobicContact CG1-CB 4.34Å; L108-P214 WeakPolarHBondContact O-CA 3.41Å; Y109-P214 HydrophobicContact CD1-CB 4.01Å; Y109-P214 HydrophobicContact CE1-CB 3.63Å; Y109-P214 HydrophobicContact CE1-CG 3.98Å
215	I	75.3	Confident	55.9	Low	45 Å²	45	89.9 Å²	89.9	23%	0.231	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.9	174.6	56.2	164.9	0	0	0	110.2	L108 K110 C163 V213 T217	L108-I215 HydrophobicContact CB-CD1 4.09Å; L108-I215 HydrophobicContact CB-CG1 3.68Å; L108-I215 HydrophobicContact CD1-CD1 4.4Å; L108-I215 WeakPolarHBondContact O-CG1 3.42Å; L108-I215 PolarHBondContact O-N 3.47Å; K110-I215 HydrophobicContact CB-CD1 4.36Å; K110-I215 HydrophobicContact CB-CG1 4.46Å; K110-I215 HydrophobicContact CB-CG2 3.72Å; K110-I215 HydrophobicContact CD-CG2 4.19Å; C163-I215 VanDerWaalsContact SG-CD1 3.56Å; V213-I215 PolarHBondContact O-N 3.4Å; I215-T217 PolarHBondContact O-N 2.9Å
216	D	62.2	Low	54.8	Low	102 Å²	102	94.6 Å²	94.6	55%	0.545	51%	0.506	S	S	.	.			trans	-52.6	129.7	158.3	-76.3	0.7	0	0	0	107.6	P218 R233	D216-P218 WeakPolarHBondContact O-CD 3.49Å; D216-P218 VanDerWaalsContact O-N 3.17Å; D216-R233 IonicContact OD2-NH1 3.34Å; D216-R233 PolarHBondContact OD2-NH1 2.79Å
217	T	53.7	Low	54	Low	57 Å²	57	97.9 Å²	97.9	35%	0.35	51%	0.511	S	S	.	.			trans	-55.3	122.6	177.8	34.4	0	0	0	0	109.6	L108 I215 N219	L108-T217 HydrophobicContact CD1-CG2 3.75Å; L108-T217 HydrophobicContact CG-CG2 4.18Å; I215-T217 PolarHBondContact O-N 2.9Å; T217-N219 PolarHBondContact O-N 2.85Å
218	P	43	Very low	53	Low	93 Å²	93	104.9 Å²	104.9	60%	0.604	54%	0.541	S	S	*	.			trans	-76.4	56.9	169.4	34.3	-35	0	0	0	108.9	D216 H220	D216-P218 WeakPolarHBondContact O-CD 3.49Å; D216-P218 VanDerWaalsContact O-N 3.17Å; P218-H220 VanDerWaalsContact C-N 3.29Å; P218-H220 PolarHBondContact O-N 3.19Å
219	N	42.2	Very low	52.7	Low	104 Å²	104	102.5 Å²	102.5	56%	0.556	52%	0.516	S	S	*	.			trans	-62.1	98.7	166.8	-89.4	4.6	0	0	0	107	T217 L221	T217-N219 PolarHBondContact O-N 2.85Å; N219-L221 HydrophobicContact CB-CD1 4.49Å; N219-L221 HydrophobicContact CB-CG 4.27Å; N219-L221 PolarHBondContact O-N 3.47Å
220	H	38	Very low	52.1	Low	183 Å²	183	106.5 Å²	106.5	85%	0.847	54%	0.537	S	S	*	.			trans	-64.7	57.2	150	-75.3	-93.7	0	0	0	109.3	P218 Q222	P218-H220 VanDerWaalsContact C-N 3.29Å; P218-H220 PolarHBondContact O-N 3.19Å; H220-Q222 PolarHBondContact O-N 3.36Å; H220-Q222 VanDerWaalsContact O-N 3.16Å
221	L	37.6	Very low	51.6	Low	113 Å²	113	110.7 Å²	110.7	59%	0.592	56%	0.557	S	S	*	*			trans	-50.3	121.1	146.6	-81.5	165.7	0	0	0	105.1	N219 R223	N219-L221 HydrophobicContact CB-CD1 4.49Å; N219-L221 HydrophobicContact CB-CG 4.27Å; N219-L221 PolarHBondContact O-N 3.47Å; L221-R223 PolarHBondContact O-N 3.47Å
222	Q	35.7	Very low	50.7	Low	136 Å²	136	111.5 Å²	111.5	64%	0.636	56%	0.561	S	S	*	*			trans	-55.2	131.7	179	-66.5	177.2	-10	0	0	107.6	H220 Q224	H220-Q222 PolarHBondContact O-N 3.36Å; H220-Q222 VanDerWaalsContact O-N 3.16Å; Q222-Q224 HydrophobicContact CB-CG 4.03Å; Q222-Q224 PolarHBondContact O-N 2.84Å
223	R	37.8	Very low	49.9	Very low	242 Å²	242	120.3 Å²	120.3	91%	0.913	60%	0.595	S	S	*	*			trans	-67.9	65.4	162.8	-78.3	-178.6	166.5	-177.4	-4.2	109.2	L221 Q225	L221-R223 PolarHBondContact O-N 3.47Å; R223-Q225 PolarHBondContact O-N 3.37Å; R223-Q225 VanDerWaalsContact O-N 3.17Å
224	Q	36.3	Very low	49.4	Very low	118 Å²	118	120.1 Å²	120.1	55%	0.551	60%	0.595	S	S	*	*			trans	-70.7	107.1	163.1	-71.8	-161.3	9.7	0	0	106.5	Q222 Q226	Q222-Q224 HydrophobicContact CB-CG 4.03Å; Q222-Q224 PolarHBondContact O-N 2.84Å; Q224-Q226 PolarHBondContact O-N 3.17Å
225	Q	41.7	Very low	49.4	Very low	183 Å²	183	117.4 Å²	117.4	86%	0.855	58%	0.577	S	S	*	*			trans	-66.7	81.7	170.3	-69.9	-179.7	-47.1	0	0	109.2	R223 L227	R223-Q225 PolarHBondContact O-N 3.37Å; R223-Q225 VanDerWaalsContact O-N 3.17Å; Q225-L227 PolarHBondContact O-N 2.95Å
226	Q	44.8	Very low	49.6	Very low	130 Å²	130	118 Å²	118	61%	0.607	58%	0.58	S	S	*	*			trans	-64.9	121.3	160.4	-64.1	-162.8	7.4	0	0	107.1	Q224 F228 G229	Q224-Q226 PolarHBondContact O-N 3.17Å; Q226-F228 PolarHBondContact O-N 3.17Å; Q226-G229 PolarHBondContact O-N 3.17Å; Q226-G229 VanDerWaalsContact O-N 3.13Å
227	L	47.6	Very low	50.7	Low	154 Å²	154	120.8 Å²	120.8	81%	0.806	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-17.6	-170.4	-86.9	73.1	0	0	0	114.5	Q225	Q225-L227 PolarHBondContact O-N 2.95Å
228	F	46	Very low	52.5	Low	206 Å²	206	119.4 Å²	119.4	90%	0.904	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	21.1	-178.2	-58.7	-74.6	0	0	0	113.7	Q226	Q226-F228 PolarHBondContact O-N 3.17Å
229	G	46.2	Very low	54.7	Low	40 Å²	40	116.6 Å²	116.6	41%	0.412	55%	0.55	S	S	.	*			trans	-117.5	141.9	-177.9	0	0	0	0	0	113.4	Q226	Q226-G229 PolarHBondContact O-N 3.17Å; Q226-G229 VanDerWaalsContact O-N 3.13Å
230	V	46.9	Very low	56.8	Low	99 Å²	99	115.9 Å²	115.9	60%	0.6	54%	0.543	S	S	*	.			trans	-111.2	117.6	168.5	177.6	0	0	0	0	108.3	Y232	V230-Y232 HydrophobicContact CB-CE1 4.46Å; V230-Y232 HydrophobicContact CG1-CD1 4.29Å; V230-Y232 HydrophobicContact CG1-CE1 3.92Å; V230-Y232 PolarHBondContact O-N 3.23Å; V230-Y232 VanDerWaalsContact O-N 3.16Å
231	D	46.3	Very low	59.4	Low	103 Å²	103	107.7 Å²	107.7	55%	0.551	51%	0.506	S	S	*	.			trans	-68	108.2	171.6	-66.5	-43.6	0	0	0	109.8
232	Y	53.6	Low	62	Low	103 Å²	103	102.3 Å²	102.3	40%	0.404	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-82.8	128	172.4	-65.3	-63.9	0	0	0	110.3	V230 P254	V230-Y232 HydrophobicContact CB-CE1 4.46Å; V230-Y232 HydrophobicContact CG1-CD1 4.29Å; V230-Y232 HydrophobicContact CG1-CE1 3.92Å; V230-Y232 PolarHBondContact O-N 3.23Å; V230-Y232 VanDerWaalsContact O-N 3.16Å; Y232-P254 HydrophobicContact CD1-CB 4.25Å; Y232-P254 HydrophobicContact CD1-CG 3.75Å; Y232-P254 HydrophobicContact CD2-CB 4.47Å; Y232-P254 HydrophobicContact CD2-CG 4.26Å; Y232-P254 HydrophobicContact CE1-CG 4.03Å; Y232-P254 HydrophobicContact CE2-CG 4.49Å; Y232-P254 HydrophobicContact CG-CB 4Å; Y232-P254 HydrophobicContact CG-CG 3.89Å
233	R	60.3	Low	64.5	Low	184 Å²	184	96.2 Å²	96.2	69%	0.694	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-59.7	137.1	160.6	-68.4	-175.6	177	-165.9	-1.6	108.4	D216	D216-R233 IonicContact OD2-NH1 3.34Å; D216-R233 PolarHBondContact OD2-NH1 2.79Å
234	P	66.8	Low	66.8	Low	54 Å²	54	86 Å²	86	35%	0.351	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-62.8	142.2	175.9	27.8	-34.8	0	0	0	109.9	L236 A257	P234-L236 PolarHBondContact O-N 2.8Å; P234-A257 HydrophobicContact CB-CB 4.28Å
235	V	76.4	Confident	69.4	Low	17 Å²	17	84.6 Å²	84.6	10%	0.103	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-78.7	119.6	-179.9	157.8	0	0	0	0	110.4	Q240 V241 L244 Q255 P256 A257	V235-Q240 HydrophobicContact CB-CB 4.4Å; V235-Q240 HydrophobicContact CG1-CB 3.38Å; V235-Q240 HydrophobicContact CG2-CB 4.13Å; V235-V241 HydrophobicContact CG1-CG2 3.63Å; V235-L244 HydrophobicContact CB-CD1 3.87Å; V235-L244 HydrophobicContact CG1-CD1 4.13Å; V235-L244 HydrophobicContact CG2-CD1 3.71Å; V235-Q255 PolarHBondContact N-O 3.23Å; V235-P256 WeakPolarHBondContact O-CA 3.18Å; V235-A257 PolarHBondContact O-N 2.83Å
236	L	78.3	Confident	71.8	Confident	58 Å²	58	77.3 Å²	77.3	30%	0.304	38%	0.378	S	S	.	.			trans	-105.9	-8.9	-175	-70.1	164.8	0	0	0	113.8	P104 P234 A257	P104-L236 HydrophobicContact CB-CD2 4.03Å; P234-L236 PolarHBondContact O-N 2.8Å; L236-A257 HydrophobicContact CD2-CB 3.57Å; L236-A257 HydrophobicContact CG-CB 4.42Å
237	R	84.8	Confident	73.8	Confident	159 Å²	159	71.6 Å²	71.6	60%	0.6	35%	0.352	S	S	*	.	S	Bend	trans	-112.2	136.8	-175.5	-62.4	-170.3	-176	-168.7	1.8	111.7	E239 Q240 V241	R237-E239 VanDerWaalsContact C-N 3.29Å; R237-E239 PolarHBondContact O-N 2.86Å; R237-Q240 HydrophobicContact CB-CG 4.34Å; R237-Q240 WeakPolarHBondContact O-CB 3.48Å; R237-Q240 PolarHBondContact O-N 2.81Å; R237-Q240 VanDerWaalsContact O-N 3.11Å; R237-V241 PolarHBondContact O-N 2.85Å; R237-V241 VanDerWaalsContact O-N 3.14Å
238	W	91.6	Very high	75.2	Confident	29 Å²	29	70 Å²	70	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-63.6	-32.8	-176.2	65.7	-93.9	0	0	0	112.6	L100 F102 Q240 V241 V242 R473 K476 I477	L100-W238 HydrophobicContact CD1-CE3 3.79Å; L100-W238 HydrophobicContact CD1-CH2 4.43Å; L100-W238 HydrophobicContact CD1-CZ3 3.53Å; F102-W238 HydrophobicContact CB-CB 3.94Å; F102-W238 HydrophobicContact CD1-CB 4.43Å; W238-Q240 VanDerWaalsContact C-N 3.27Å; W238-Q240 PolarHBondContact O-N 2.85Å; W238-V241 PolarHBondContact O-N 3.04Å; W238-V241 VanDerWaalsContact O-N 3.07Å; W238-V242 HydrophobicContact CE3-CG2 4.35Å; W238-V242 PolarHBondContact O-N 2.9Å; W238-R473 VanDerWaalsContact CD1-CZ 3.44Å; W238-R473 HydrophobicContact CD2-CB 4.34Å; W238-R473 HydrophobicContact CD2-CG 4.03Å; W238-R473 HydrophobicContact CE3-CB 4.19Å; W238-R473 HydrophobicContact CE3-CG 4.39Å; W238-R473 HydrophobicContact CH2-CB 3.56Å; W238-R473 HydrophobicContact CH2-CG 3.94Å; W238-R473 WeakPolarHBondContact CH2-O 3.23Å; W238-R473 HydrophobicContact CZ2-CB 3.71Å; W238-R473 HydrophobicContact CZ2-CG 3.52Å; W238-R473 HydrophobicContact CZ3-CB 3.81Å; W238-R473 HydrophobicContact CZ3-CG 4.35Å; W238-K476 HydrophobicContact CH2-CB 4.22Å; W238-K476 HydrophobicContact CH2-CD 4.06Å; W238-K476 HydrophobicContact CZ2-CD 3.87Å; W238-I477 HydrophobicContact CH2-CD1 4.24Å; W238-I477 HydrophobicContact CH2-CG1 4.1Å; W238-I477 HydrophobicContact CZ3-CD1 3.86Å; W238-I477 HydrophobicContact CZ3-CG1 3.71Å
239	E	90.4	Very high	76.2	Confident	34 Å²	34	65.5 Å²	65.5	16%	0.159	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-43.9	174.8	-60.3	91.2	150.2	0	0	110.8	R237 V241 V242 D243 K476	R237-E239 VanDerWaalsContact C-N 3.29Å; R237-E239 PolarHBondContact O-N 2.86Å; E239-V241 VanDerWaalsContact C-N 3.33Å; E239-V241 PolarHBondContact O-N 3.37Å; E239-V242 PolarHBondContact O-N 2.98Å; E239-D243 PolarHBondContact O-N 2.62Å; E239-K476 IonicContact OE1-NZ 3.68Å; E239-K476 PolarHBondContact OE1-NZ 3.49Å
240	Q	86.3	Confident	76.9	Confident	88 Å²	88	70.5 Å²	70.5	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-71.7	-27.5	178.7	-66.6	175	-25.6	0	0	111.8	V235 R237 W238 L244	V235-Q240 HydrophobicContact CB-CB 4.4Å; V235-Q240 HydrophobicContact CG1-CB 3.38Å; V235-Q240 HydrophobicContact CG2-CB 4.13Å; R237-Q240 HydrophobicContact CB-CG 4.34Å; R237-Q240 WeakPolarHBondContact O-CB 3.48Å; R237-Q240 PolarHBondContact O-N 2.81Å; R237-Q240 VanDerWaalsContact O-N 3.11Å; W238-Q240 VanDerWaalsContact C-N 3.27Å; W238-Q240 PolarHBondContact O-N 2.85Å; Q240-L244 WeakPolarHBondContact O-CB 3.36Å; Q240-L244 VanDerWaalsContact O-CG 3.27Å; Q240-L244 WeakPolarHBondContact O-CG 3.32Å; Q240-L244 PolarHBondContact O-N 3.17Å
241	V	91.1	Very high	77.7	Confident	12 Å²	12	69 Å²	69	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-72	-39.1	172.4	-177.8	0	0	0	0	111.1	A99 F102 V235 R237 W238 E239 L244 T245 P256	A99-V241 HydrophobicContact CB-CG1 3.97Å; F102-V241 HydrophobicContact CB-CB 4.25Å; F102-V241 HydrophobicContact CB-CG1 4.34Å; F102-V241 HydrophobicContact CB-CG2 4.18Å; F102-V241 HydrophobicContact CD1-CG2 3.75Å; F102-V241 HydrophobicContact CD2-CG1 4.34Å; F102-V241 HydrophobicContact CD2-CG2 3.88Å; F102-V241 HydrophobicContact CE1-CG2 4.06Å; F102-V241 HydrophobicContact CE2-CG2 4.17Å; F102-V241 HydrophobicContact CG-CB 4.26Å; F102-V241 HydrophobicContact CG-CG1 4.41Å; F102-V241 HydrophobicContact CG-CG2 3.65Å; F102-V241 HydrophobicContact CZ-CG2 4.25Å; V235-V241 HydrophobicContact CG1-CG2 3.63Å; R237-V241 PolarHBondContact O-N 2.85Å; R237-V241 VanDerWaalsContact O-N 3.14Å; W238-V241 PolarHBondContact O-N 3.04Å; W238-V241 VanDerWaalsContact O-N 3.07Å; E239-V241 VanDerWaalsContact C-N 3.33Å; E239-V241 PolarHBondContact O-N 3.37Å; V241-L244 PolarHBondContact O-N 3.45Å; V241-T245 WeakPolarHBondContact O-CB 3.43Å; V241-T245 PolarHBondContact O-N 2.76Å; V241-T245 PolarHBondContact O-OG1 2.93Å; V241-P256 HydrophobicContact CG2-CB 4.02Å
242	V	92.4	Very high	78.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-50.3	169	174.7	0	0	0	0	109.8	F82 A99 L100 W238 E239 L244 T245 Y246	F82-V242 HydrophobicContact CB-CG1 3.93Å; F82-V242 HydrophobicContact CD1-CG1 4.05Å; F82-V242 HydrophobicContact CD2-CG1 3.94Å; F82-V242 HydrophobicContact CD2-CG2 4.48Å; F82-V242 HydrophobicContact CE2-CG2 4.43Å; F82-V242 HydrophobicContact CG-CG1 3.66Å; A99-V242 HydrophobicContact CB-CG2 3.88Å; L100-V242 HydrophobicContact CD1-CG2 4.41Å; W238-V242 HydrophobicContact CE3-CG2 4.35Å; W238-V242 PolarHBondContact O-N 2.9Å; E239-V242 PolarHBondContact O-N 2.98Å; V242-L244 VanDerWaalsContact C-N 3.3Å; V242-L244 PolarHBondContact O-N 3.32Å; V242-T245 PolarHBondContact O-N 3Å; V242-Y246 HydrophobicContact CG1-CD2 4.1Å; V242-Y246 WeakPolarHBondContact O-CD2 3.42Å; V242-Y246 PolarHBondContact O-N 3.15Å
243	D	89.2	Confident	79	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.043	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-33.9	178.4	-72.7	-17.9	0	0	0	113.1	Q75 R79 E239 S247	Q75-D243 HydrophobicContact CG-CB 4.33Å; Q75-D243 PolarHBondContact NE2-OD2 2.97Å; R79-D243 WeakPolarHBondContact CG-OD1 3.3Å; R79-D243 IonicContact CZ-OD1 3.4Å; R79-D243 IonicContact CZ-OD2 2.78Å; R79-D243 IonicContact NE-OD1 3.37Å; R79-D243 PolarHBondContact NE-OD1 2.87Å; R79-D243 IonicContact NE-OD2 3.85Å; R79-D243 IonicContact NH2-OD1 3.64Å; R79-D243 PolarHBondContact NH2-OD1 3.42Å; R79-D243 IonicContact NH2-OD2 3.61Å; R79-D243 PolarHBondContact NH2-OD2 2.91Å; E239-D243 PolarHBondContact O-N 2.62Å; D243-S247 WeakPolarHBondContact O-CB 3.17Å; D243-S247 PolarHBondContact O-N 2.56Å; D243-S247 PolarHBondContact O-OG 3.36Å
244	L	86.8	Confident	79.5	Confident	28 Å²	28	64.2 Å²	64.2	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-72.4	-39.6	174.2	-79.3	177.2	0	0	0	113.1	V235 Q240 V241 V242 P254	V235-L244 HydrophobicContact CB-CD1 3.87Å; V235-L244 HydrophobicContact CG1-CD1 4.13Å; V235-L244 HydrophobicContact CG2-CD1 3.71Å; Q240-L244 WeakPolarHBondContact O-CB 3.36Å; Q240-L244 VanDerWaalsContact O-CG 3.27Å; Q240-L244 WeakPolarHBondContact O-CG 3.32Å; Q240-L244 PolarHBondContact O-N 3.17Å; V241-L244 PolarHBondContact O-N 3.45Å; V242-L244 VanDerWaalsContact C-N 3.3Å; V242-L244 PolarHBondContact O-N 3.32Å; L244-P254 HydrophobicContact CD1-CB 4.35Å; L244-P254 WeakPolarHBondContact CD1-O 3.47Å; L244-P254 HydrophobicContact CD2-CB 4.04Å; L244-P254 HydrophobicContact CD2-CG 3.98Å
245	T	90.7	Very high	79.9	Confident	87 Å²	87	68.9 Å²	68.9	53%	0.534	34%	0.344	S	S	.	.	H	α-helix	trans	-68.9	-42.5	-177.8	-67.6	0	0	0	0	111.7	V241 V242	V241-T245 WeakPolarHBondContact O-CB 3.43Å; V241-T245 PolarHBondContact O-N 2.76Å; V241-T245 PolarHBondContact O-OG1 2.93Å; V242-T245 PolarHBondContact O-N 3Å
246	Y	91.8	Very high	80.1	Confident	30 Å²	30	71 Å²	71	12%	0.118	36%	0.358	C	S	.	.	H	α-helix	trans	-99.7	-17.9	-169.5	-68.9	-88.9	0	0	0	115.4	G78 R81 F82 E85 P97 V242	G78-Y246 WeakPolarHBondContact O-CB 3.48Å; R81-Y246 HydrophobicContact CB-CD1 4.16Å; R81-Y246 PolarHBondContact NH1-O 2.84Å; F82-Y246 HydrophobicContact CB-CD1 4.05Å; F82-Y246 HydrophobicContact CB-CD2 3.75Å; F82-Y246 HydrophobicContact CB-CE1 4.15Å; F82-Y246 HydrophobicContact CB-CE2 3.87Å; F82-Y246 HydrophobicContact CB-CG 3.86Å; F82-Y246 HydrophobicContact CD2-CD2 4.32Å; F82-Y246 AromaticContact CD2-CE2 3.71Å; F82-Y246 HydrophobicContact CD2-CE2 3.71Å; F82-Y246 HydrophobicContact CG-CD2 4.45Å; F82-Y246 HydrophobicContact CG-CE2 4.24Å; E85-Y246 VanDerWaalsContact CD-OH 3.28Å; E85-Y246 WeakPolarHBondContact OE2-CE1 3.26Å; E85-Y246 PolarHBondContact OE2-OH 3.09Å; P97-Y246 VanDerWaalsContact CB-OH 3.26Å; P97-Y246 WeakPolarHBondContact CB-OH 3.27Å; V242-Y246 HydrophobicContact CG1-CD2 4.1Å; V242-Y246 WeakPolarHBondContact O-CD2 3.42Å; V242-Y246 PolarHBondContact O-N 3.15Å
247	S	86.6	Confident	80.5	Confident	10 Å²	10	69.2 Å²	69.2	7%	0.07	35%	0.352	C	S	.	.	S	Bend	trans	-91.3	128.9	-176.7	-47.2	0	0	0	0	113.3	R74 Q75 D243 R249	R74-S247 WeakPolarHBondContact O-CB 3.44Å; R74-S247 PolarHBondContact O-OG 3.43Å; Q75-S247 WeakPolarHBondContact CA-OG 3.47Å; D243-S247 WeakPolarHBondContact O-CB 3.17Å; D243-S247 PolarHBondContact O-N 2.56Å; D243-S247 PolarHBondContact O-OG 3.36Å; S247-R249 PolarHBondContact O-N 2.87Å; S247-R249 VanDerWaalsContact O-N 3.09Å
248	H	76.3	Confident	80.7	Confident	121 Å²	121	68.8 Å²	68.8	56%	0.56	36%	0.356	S	S	*	.			trans	-76.8	96.8	175	-62.8	-35.1	0	0	0	112.5	R74 R81	R74-H248 WeakPolarHBondContact CD-O 3.27Å; R74-H248 PolarHBondContact NH1-O 2.89Å; R81-H248 PolarHBondContact NH1-CD2 3.4Å; R81-H248 VanDerWaalsContact NH1-CD2 3.35Å; R81-H248 PolarHBondContact NH1-CE1 2.91Å; R81-H248 VanDerWaalsContact NH1-CE1 3.35Å; R81-H248 PolarHBondContact NH1-NE2 3.5Å; R81-H248 PolarHBondContact NH2-NE2 2.95Å
249	R	68.3	Low	80.7	Confident	111 Å²	111	69.2 Å²	69.2	42%	0.419	37%	0.367	S	S	.	.			trans	-88.3	147	171.6	-61.3	-176.2	-175.5	-96.9	-4.2	111.4	S247	S247-R249 PolarHBondContact O-N 2.87Å; S247-R249 VanDerWaalsContact O-N 3.09Å
250	L	59.1	Low	80.9	Confident	146 Å²	146	68.4 Å²	68.4	76%	0.764	36%	0.362	S	S	*	.	S	Bend	trans	-100.6	143.3	167.3	-69	167.3	0	0	0	108
251	G	65.7	Low	81.3	Confident	68 Å²	68	66.9 Å²	66.9	70%	0.701	36%	0.364	S	S	*	.	S	Bend	trans	90.6	-169.1	-172.6	0	0	0	0	0	113.4
252	S	61.3	Low	81.3	Confident	77 Å²	77	71.5 Å²	71.5	54%	0.538	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-63.4	139.1	178	27.6	0	0	0	0	111.5
253	R	64.4	Low	81.3	Confident	189 Å²	189	71.6 Å²	71.6	71%	0.713	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-88.6	130.3	177.8	-61.5	-175.2	-174	-175.9	3.3	109.6
254	P	70.4	Confident	81.6	Confident	23 Å²	23	72.3 Å²	72.3	15%	0.149	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-55.8	138.5	159.9	-17.6	29.2	0	0	0	109	Y232 L244	Y232-P254 HydrophobicContact CD1-CB 4.25Å; Y232-P254 HydrophobicContact CD1-CG 3.75Å; Y232-P254 HydrophobicContact CD2-CB 4.47Å; Y232-P254 HydrophobicContact CD2-CG 4.26Å; Y232-P254 HydrophobicContact CE1-CG 4.03Å; Y232-P254 HydrophobicContact CE2-CG 4.49Å; Y232-P254 HydrophobicContact CG-CB 4Å; Y232-P254 HydrophobicContact CG-CG 3.89Å; L244-P254 HydrophobicContact CD1-CB 4.35Å; L244-P254 WeakPolarHBondContact CD1-O 3.47Å; L244-P254 HydrophobicContact CD2-CB 4.04Å; L244-P254 HydrophobicContact CD2-CG 3.98Å
255	Q	76	Confident	82	Confident	151 Å²	151	77.6 Å²	77.6	71%	0.706	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-94.3	145.2	174.5	-69	-176.8	-15	0	0	110.1	V235	V235-Q255 PolarHBondContact N-O 3.23Å
256	P	81.7	Confident	82.2	Confident	63 Å²	63	76.4 Å²	76.4	41%	0.409	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-62.3	155.1	163.2	30.9	-35.1	0	0	0	109.9	F102 V235 V241	F102-P256 HydrophobicContact CE2-CB 3.97Å; F102-P256 HydrophobicContact CZ-CB 4.29Å; V235-P256 WeakPolarHBondContact O-CA 3.18Å; V241-P256 HydrophobicContact CG2-CB 4.02Å
257	A	84.8	Confident	82.3	Confident	20 Å²	20	75.8 Å²	75.8	17%	0.165	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-62.9	164.2	162.6	0	0	0	0	0	110.5	F102 P234 V235 L236 A259	F102-A257 WeakPolarHBondContact CE2-O 3.17Å; F102-A257 HydrophobicContact CZ-CB 4.45Å; P234-A257 HydrophobicContact CB-CB 4.28Å; V235-A257 PolarHBondContact O-N 2.83Å; L236-A257 HydrophobicContact CD2-CB 3.57Å; L236-A257 HydrophobicContact CG-CB 4.42Å; A257-A259 PolarHBondContact O-N 2.92Å
258	E	89.6	Confident	82.8	Confident	149 Å²	149	76.9 Å²	76.9	70%	0.696	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-60.6	136	175	-161	167	-168.3	0	0	110.5	Q105	Q105-E258 HydrophobicContact CB-CB 4.42Å; Q105-E258 WeakPolarHBondContact CB-O 3.43Å; Q105-E258 PolarHBondContact N-O 3.28Å
259	A	92.3	Very high	83.7	Confident	39 Å²	39	77 Å²	77	32%	0.322	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-97.4	133.7	-172.3	0	0	0	0	0	110.5	F102 V103 A257 A261 V264	F102-A259 HydrophobicContact CD2-CB 3.92Å; F102-A259 HydrophobicContact CE2-CB 3.75Å; V103-A259 CarbonylContact O-C 3.36Å; V103-A259 VanDerWaalsContact O-CA 3.31Å; V103-A259 WeakPolarHBondContact O-CA 3.42Å; A257-A259 PolarHBondContact O-N 2.92Å; A259-A261 PolarHBondContact O-N 2.83Å; A259-V264 HydrophobicContact CB-CG2 4.21Å
260	Y	94.1	Very high	85	Confident	16 Å²	16	72.9 Å²	72.9	6%	0.063	39%	0.387	C	S	.	.			trans	-69.9	91.2	176.6	-175.5	-155.9	0	0	0	110.3	V103 T167 E169 K180 E262 A263 V264	V103-Y260 HydrophobicContact CG1-CD1 4.46Å; V103-Y260 PolarHBondContact O-N 3.19Å; T167-Y260 HydrophobicContact CG2-CD1 3.78Å; T167-Y260 HydrophobicContact CG2-CE1 3.81Å; T167-Y260 HydrophobicContact CG2-CG 4.31Å; E169-Y260 HydrophobicContact CB-CD1 4.38Å; E169-Y260 HydrophobicContact CB-CE1 4.44Å; E169-Y260 WeakPolarHBondContact OE2-CE1 3.26Å; K180-Y260 HydrophobicContact CD-CE1 4.17Å; K180-Y260 PolarHBondContact NZ-OH 3.18Å; Y260-E262 HydrophobicContact CD2-CB 4.33Å; Y260-E262 HydrophobicContact CE2-CB 3.7Å; Y260-E262 HydrophobicContact CE2-CG 3.85Å; Y260-E262 WeakPolarHBondContact CE2-OE2 3.38Å; Y260-E262 VanDerWaalsContact CZ-OE2 3.25Å; Y260-E262 PolarHBondContact O-N 2.73Å; Y260-E262 VanDerWaalsContact O-N 3.11Å; Y260-E262 PolarHBondContact OH-OE2 2.85Å; Y260-A263 HydrophobicContact CD1-CB 3.39Å; Y260-A263 HydrophobicContact CE1-CB 3.85Å; Y260-A263 HydrophobicContact CG-CB 4.01Å; Y260-A263 PolarHBondContact O-N 2.93Å; Y260-V264 WeakPolarHBondContact O-CG2 3.41Å; Y260-V264 PolarHBondContact O-N 3.46Å
261	A	93.9	Very high	86.6	Confident	56 Å²	56	66.8 Å²	66.8	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-52.9	-39.1	-169.1	0	0	0	0	0	113.6	A259 A263 V264 Q265	A259-A261 PolarHBondContact O-N 2.83Å; A261-A263 PolarHBondContact O-N 2.69Å; A261-V264 PolarHBondContact O-N 3.26Å; A261-Q265 WeakPolarHBondContact O-CB 3.49Å; A261-Q265 VanDerWaalsContact O-CG 3.26Å; A261-Q265 WeakPolarHBondContact O-CG 3.23Å; A261-Q265 PolarHBondContact O-N 2.82Å
262	E	92.1	Very high	87.8	Confident	110 Å²	110	69.9 Å²	69.9	51%	0.514	36%	0.364	S	S	.	.	H	α-helix	trans	-67.3	-34.3	179.3	-54.5	-178.3	147	0	0	113.1	Y260 R266	Y260-E262 HydrophobicContact CD2-CB 4.33Å; Y260-E262 HydrophobicContact CE2-CB 3.7Å; Y260-E262 HydrophobicContact CE2-CG 3.85Å; Y260-E262 WeakPolarHBondContact CE2-OE2 3.38Å; Y260-E262 VanDerWaalsContact CZ-OE2 3.25Å; Y260-E262 PolarHBondContact O-N 2.73Å; Y260-E262 VanDerWaalsContact O-N 3.11Å; Y260-E262 PolarHBondContact OH-OE2 2.85Å; E262-R266 WeakPolarHBondContact O-CB 3.43Å; E262-R266 WeakPolarHBondContact O-CG 3.45Å; E262-R266 PolarHBondContact O-N 2.9Å; E262-R266 VanDerWaalsContact O-N 3.12Å; E262-R266 PolarHBondContact O-NE 3.32Å
263	A	92.4	Very high	89.2	Confident	1 Å²	1	72 Å²	72	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-76.2	-40.1	175.4	0	0	0	0	0	111.2	V103 E169 Y260 A261 Q265 R266 L267	V103-A263 HydrophobicContact CB-CB 4.11Å; V103-A263 HydrophobicContact CG1-CB 3.94Å; V103-A263 HydrophobicContact CG2-CB 4.18Å; E169-A263 HydrophobicContact CB-CB 4.23Å; E169-A263 HydrophobicContact CG-CB 4.2Å; Y260-A263 HydrophobicContact CD1-CB 3.39Å; Y260-A263 HydrophobicContact CE1-CB 3.85Å; Y260-A263 HydrophobicContact CG-CB 4.01Å; Y260-A263 PolarHBondContact O-N 2.93Å; A261-A263 PolarHBondContact O-N 2.69Å; A263-Q265 PolarHBondContact O-N 3.01Å; A263-R266 PolarHBondContact O-N 2.86Å; A263-L267 WeakPolarHBondContact O-CB 3.33Å; A263-L267 WeakPolarHBondContact O-CG 3.27Å; A263-L267 PolarHBondContact O-N 3.49Å
264	V	95.8	Very high	90.6	Very high	24 Å²	24	63.7 Å²	63.7	15%	0.145	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-46.5	173.2	179.5	0	0	0	0	110.4	A101 A259 Y260 A261 L267 L268	A101-V264 HydrophobicContact CB-CG1 4.27Å; A259-V264 HydrophobicContact CB-CG2 4.21Å; Y260-V264 WeakPolarHBondContact O-CG2 3.41Å; Y260-V264 PolarHBondContact O-N 3.46Å; A261-V264 PolarHBondContact O-N 3.26Å; V264-L267 PolarHBondContact O-N 2.88Å; V264-L268 HydrophobicContact CG1-CD1 3.83Å; V264-L268 HydrophobicContact CG1-CG 4.42Å; V264-L268 WeakPolarHBondContact O-CB 3.35Å; V264-L268 VanDerWaalsContact O-CG 3.27Å; V264-L268 WeakPolarHBondContact O-CG 3.44Å; V264-L268 PolarHBondContact O-N 3.31Å
265	Q	95.8	Very high	91.7	Very high	138 Å²	138	65.3 Å²	65.3	65%	0.645	35%	0.352	S	S	*	.	H	α-helix	trans	-62.4	-43.3	176.8	-75.7	174.7	6.1	0	0	112.5	A261 A263 L268 Y269	A261-Q265 WeakPolarHBondContact O-CB 3.49Å; A261-Q265 VanDerWaalsContact O-CG 3.26Å; A261-Q265 WeakPolarHBondContact O-CG 3.23Å; A261-Q265 PolarHBondContact O-N 2.82Å; A263-Q265 PolarHBondContact O-N 3.01Å; Q265-L268 CarbonylContact O-C 3.59Å; Q265-L268 PolarHBondContact O-N 3.27Å; Q265-Y269 PolarHBondContact O-N 2.85Å
266	R	93.2	Very high	92.4	Very high	62 Å²	62	58.7 Å²	58.7	23%	0.234	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-32.6	178.1	-77.4	177	-71.1	134.4	4.4	113.2	E169 E262 A263 R466	E169-R266 IonicContact OE1-CZ 2.79Å; E169-R266 IonicContact OE1-NH1 2.77Å; E169-R266 PolarHBondContact OE1-NH1 3.45Å; E169-R266 IonicContact OE1-NH2 3.32Å; E169-R266 PolarHBondContact OE1-NH2 3.32Å; E169-R266 IonicContact OE2-CZ 2.73Å; E169-R266 IonicContact OE2-NH1 2.76Å; E169-R266 PolarHBondContact OE2-NH1 3.12Å; E169-R266 IonicContact OE2-NH2 2.93Å; E169-R266 PolarHBondContact OE2-NH2 2.82Å; E262-R266 WeakPolarHBondContact O-CB 3.43Å; E262-R266 WeakPolarHBondContact O-CG 3.45Å; E262-R266 PolarHBondContact O-N 2.9Å; E262-R266 VanDerWaalsContact O-N 3.12Å; E262-R266 PolarHBondContact O-NE 3.32Å; A263-R266 PolarHBondContact O-N 2.86Å; R266-R466 VanDerWaalsContact NH1-NH2 3.11Å; R266-R466 VanDerWaalsContact O-CD 3.28Å; R266-R466 WeakPolarHBondContact O-CD 3.46Å
267	L	95.3	Very high	92.9	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-70	-38.1	171	-76.3	170.1	0	0	0	112.3	A101 V103 A263 V264 Y269 R466 V469 L470	A101-L267 HydrophobicContact CB-CB 3.96Å; A101-L267 HydrophobicContact CB-CD1 4.4Å; V103-L267 HydrophobicContact CG2-CD1 3.6Å; A263-L267 WeakPolarHBondContact O-CB 3.33Å; A263-L267 WeakPolarHBondContact O-CG 3.27Å; A263-L267 PolarHBondContact O-N 3.49Å; V264-L267 PolarHBondContact O-N 2.88Å; L267-Y269 VanDerWaalsContact C-N 3.31Å; L267-R466 HydrophobicContact CD2-CB 4.08Å; L267-R466 HydrophobicContact CD2-CG 4.13Å; L267-V469 HydrophobicContact CD2-CG1 4.47Å; L267-L470 HydrophobicContact CB-CD1 4.29Å; L267-L470 HydrophobicContact CB-CD2 4.24Å; L267-L470 HydrophobicContact CB-CG 4.35Å; L267-L470 HydrophobicContact CD1-CD2 4.46Å; L267-L470 HydrophobicContact CD2-CD2 4.24Å; L267-L470 HydrophobicContact CD2-CG 4.35Å; L267-L470 WeakPolarHBondContact O-CD1 3.47Å
268	L	96.5	Very high	93.3	Very high	33 Å²	33	56.7 Å²	56.7	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-81.2	-4.6	179.6	-68.7	178.5	0	0	0	114.4	P95 L96 A98 A101 V264 Q265 V270 L470	P95-L268 HydrophobicContact CB-CB 4.38Å; P95-L268 HydrophobicContact CB-CD2 4.31Å; P95-L268 WeakPolarHBondContact CB-O 3.25Å; P95-L268 WeakPolarHBondContact CG-O 3.41Å; L96-L268 WeakPolarHBondContact O-CD2 3.44Å; A98-L268 HydrophobicContact CB-CD1 3.88Å; A101-L268 HydrophobicContact CB-CD1 4.24Å; A101-L268 HydrophobicContact CB-CD2 3.53Å; A101-L268 HydrophobicContact CB-CG 3.59Å; V264-L268 HydrophobicContact CG1-CD1 3.83Å; V264-L268 HydrophobicContact CG1-CG 4.42Å; V264-L268 WeakPolarHBondContact O-CB 3.35Å; V264-L268 VanDerWaalsContact O-CG 3.27Å; V264-L268 WeakPolarHBondContact O-CG 3.44Å; V264-L268 PolarHBondContact O-N 3.31Å; Q265-L268 CarbonylContact O-C 3.59Å; Q265-L268 PolarHBondContact O-N 3.27Å; L268-V270 PolarHBondContact O-N 3.05Å; L268-L470 HydrophobicContact CD2-CD1 4.29Å
269	Y	96.1	Very high	93.6	Very high	124 Å²	124	49.6 Å²	49.6	49%	0.486	27%	0.27	S	S	.	.			trans	-63.8	133.4	176.6	179.6	-103.7	0	0	0	111.1	Q265 L267 P271 V463	Q265-Y269 PolarHBondContact O-N 2.85Å; L267-Y269 VanDerWaalsContact C-N 3.31Å; Y269-P271 HydrophobicContact CE1-CG 4.08Å; Y269-V463 HydrophobicContact CD1-CG1 4Å; Y269-V463 HydrophobicContact CD1-CG2 4.06Å; Y269-V463 HydrophobicContact CE1-CG1 4.22Å; Y269-V463 HydrophobicContact CE1-CG2 4.14Å
270	V	94.4	Very high	93.6	Very high	24 Å²	24	49.6 Å²	49.6	15%	0.145	26%	0.263	C	S	.	.			trans	-133.5	123.9	176.1	177.6	0	0	0	0	107.3	P95 L268 W274 R467	P95-V270 HydrophobicContact CB-CG2 4.47Å; P95-V270 HydrophobicContact CG-CG2 4.09Å; L268-V270 PolarHBondContact O-N 3.05Å; V270-W274 HydrophobicContact CG1-CB 3.61Å; V270-W274 HydrophobicContact CG1-CG 3.84Å; V270-R467 VanDerWaalsContact CG2-NH1 3.35Å
271	P	93.8	Very high	93.6	Very high	18 Å²	18	49.5 Å²	49.5	12%	0.117	26%	0.264	C	S	.	.			trans	-57.6	144.8	177.6	-25.4	33.3	0	0	0	112.5	Y269 T273 W274 T459 V463	Y269-P271 HydrophobicContact CE1-CG 4.08Å; P271-T273 PolarHBondContact O-N 3.38Å; P271-W274 HydrophobicContact CB-CB 4.19Å; P271-W274 HydrophobicContact CG-CB 4.41Å; P271-W274 HydrophobicContact CG-CE3 4.14Å; P271-W274 WeakPolarHBondContact O-CB 3.43Å; P271-W274 PolarHBondContact O-N 2.97Å; P271-T459 HydrophobicContact CG-CG2 4.39Å; P271-V463 HydrophobicContact CG-CG1 4.07Å
272	P	91.3	Very high	93.6	Very high	133 Å²	133	46.9 Å²	46.9	86%	0.864	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.4	179.2	-25.8	35.3	0	0	0	115.4
273	T	89.9	Confident	93.8	Very high	121 Å²	121	41.6 Å²	41.6	74%	0.742	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.4	176.9	48.4	0	0	0	0	113.8	P271 T275	P271-T273 PolarHBondContact O-N 3.38Å; T273-T275 PolarHBondContact O-N 2.91Å
274	W	93.9	Very high	93.7	Very high	15 Å²	15	43.4 Å²	43.4	6%	0.057	23%	0.226	C	C	.	.			trans	-73.9	123.1	-175.3	-166.5	-89.9	0	0	0	111	V270 P271 C278 D279 L282 L456 T459 L464 R467	V270-W274 HydrophobicContact CG1-CB 3.61Å; V270-W274 HydrophobicContact CG1-CG 3.84Å; P271-W274 HydrophobicContact CB-CB 4.19Å; P271-W274 HydrophobicContact CG-CB 4.41Å; P271-W274 HydrophobicContact CG-CE3 4.14Å; P271-W274 WeakPolarHBondContact O-CB 3.43Å; P271-W274 PolarHBondContact O-N 2.97Å; W274-C278 HydrophobicContact CD2-CB 3.45Å; W274-C278 VanDerWaalsContact CD2-CB 3.45Å; W274-C278 VanDerWaalsContact CE2-CB 3.41Å; W274-C278 HydrophobicContact CE3-CB 3.7Å; W274-C278 HydrophobicContact CG-CB 3.98Å; W274-C278 HydrophobicContact CH2-CB 3.87Å; W274-C278 HydrophobicContact CZ2-CB 3.64Å; W274-C278 WeakPolarHBondContact CZ2-O 3.36Å; W274-C278 HydrophobicContact CZ3-CB 3.9Å; W274-D279 PolarHBondContact NE1-OD1 3.13Å; W274-D279 PolarHBondContact NE1-OD2 3.03Å; W274-D279 VanDerWaalsContact NE1-OD2 3.15Å; W274-L282 HydrophobicContact CH2-CD2 4.12Å; W274-L282 HydrophobicContact CZ2-CD2 4.03Å; W274-L456 HydrophobicContact CH2-CD2 3.79Å; W274-L456 HydrophobicContact CZ3-CD2 4.18Å; W274-T459 HydrophobicContact CZ3-CG2 4.2Å; W274-L464 HydrophobicContact CH2-CD2 3.71Å; W274-L464 HydrophobicContact CZ3-CD2 3.77Å; W274-R467 HydrophobicContact CZ2-CG 3.91Å
275	T	93.1	Very high	93.5	Very high	57 Å²	57	42.3 Å²	42.3	35%	0.35	22%	0.219	S	C	.	.			trans	-108.8	172	175.7	77.5	0	0	0	0	111.2	T273 E277 C278 D279	T273-T275 PolarHBondContact O-N 2.91Å; T275-E277 WeakPolarHBondContact CB-OE2 3.47Å; T275-E277 PolarHBondContact O-N 3.46Å; T275-E277 PolarHBondContact OG1-N 3.18Å; T275-E277 PolarHBondContact OG1-OE2 2.91Å; T275-C278 PolarHBondContact N-SG 3.26Å; T275-C278 VanDerWaalsContact O-CB 3.31Å; T275-C278 WeakPolarHBondContact O-CB 3.44Å; T275-C278 PolarHBondContact O-N 3.38Å; T275-D279 PolarHBondContact O-N 2.9Å
276	Y	91.7	Very high	93.3	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-55.4	-32.8	170.2	172.3	-101.4	0	0	0	112.1	L90 R91 C278 D279 E280 Q501 F505	L90-Y276 HydrophobicContact CB-CD2 4.27Å; L90-Y276 HydrophobicContact CB-CE2 4.48Å; R91-Y276 VanDerWaalsContact CD-CE2 3.44Å; R91-Y276 HydrophobicContact CG-CD2 4.21Å; R91-Y276 HydrophobicContact CG-CE2 4.14Å; Y276-C278 VanDerWaalsContact C-N 3.31Å; Y276-C278 PolarHBondContact O-N 3.37Å; Y276-D279 PolarHBondContact O-N 3.23Å; Y276-D279 VanDerWaalsContact O-N 3.14Å; Y276-E280 HydrophobicContact CD1-CG 4.23Å; Y276-E280 HydrophobicContact CE1-CG 3.68Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.27Å; Y276-E280 HydrophobicContact CE2-CG 4.46Å; Y276-E280 PolarHBondContact O-N 3.4Å; Y276-E280 PolarHBondContact OH-OE1 2.57Å; Y276-Q501 PolarHBondContact OH-O 2.66Å; Y276-F505 HydrophobicContact CD2-CE2 4.42Å; Y276-F505 AromaticContact CE2-CE2 3.53Å; Y276-F505 HydrophobicContact CE2-CE2 3.53Å; Y276-F505 HydrophobicContact CE2-CZ 4.07Å; Y276-F505 AromaticContact CZ-CE2 3.92Å
277	E	90.4	Very high	93.1	Very high	32 Å²	32	36 Å²	36	15%	0.15	19%	0.19	C	C	.	.	H	α-helix	trans	-71.8	-22.1	176.4	-61	72.4	-147.8	0	0	113.3	T275 D281 K696	T275-E277 WeakPolarHBondContact CB-OE2 3.47Å; T275-E277 PolarHBondContact O-N 3.46Å; T275-E277 PolarHBondContact OG1-N 3.18Å; T275-E277 PolarHBondContact OG1-OE2 2.91Å; E277-D281 WeakPolarHBondContact O-CB 3.49Å; E277-D281 PolarHBondContact O-N 3.22Å; E277-K696 IonicContact OE1-NZ 2.68Å; E277-K696 PolarHBondContact OE1-NZ 2.94Å; E277-K696 IonicContact OE2-NZ 3.28Å; E277-K696 PolarHBondContact OE2-NZ 2.81Å
278	C	94.5	Very high	92.5	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.054	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-35.8	169	-60.7	0	0	0	0	111	W274 T275 Y276 L282	W274-C278 HydrophobicContact CD2-CB 3.45Å; W274-C278 VanDerWaalsContact CD2-CB 3.45Å; W274-C278 VanDerWaalsContact CE2-CB 3.41Å; W274-C278 HydrophobicContact CE3-CB 3.7Å; W274-C278 HydrophobicContact CG-CB 3.98Å; W274-C278 HydrophobicContact CH2-CB 3.87Å; W274-C278 HydrophobicContact CZ2-CB 3.64Å; W274-C278 WeakPolarHBondContact CZ2-O 3.36Å; W274-C278 HydrophobicContact CZ3-CB 3.9Å; T275-C278 PolarHBondContact N-SG 3.26Å; T275-C278 VanDerWaalsContact O-CB 3.31Å; T275-C278 WeakPolarHBondContact O-CB 3.44Å; T275-C278 PolarHBondContact O-N 3.38Å; Y276-C278 VanDerWaalsContact C-N 3.31Å; Y276-C278 PolarHBondContact O-N 3.37Å; C278-L282 VanDerWaalsContact O-CB 3.25Å; C278-L282 WeakPolarHBondContact O-CB 3.37Å; C278-L282 PolarHBondContact O-N 3.26Å
279	D	95.5	Very high	91.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.8	-37.6	170.9	-71.1	-50.9	0	0	0	111.8	L90 W274 T275 Y276 L282 I283 R467 L471 F505	L90-D279 HydrophobicContact CD2-CB 4.42Å; W274-D279 PolarHBondContact NE1-OD1 3.13Å; W274-D279 PolarHBondContact NE1-OD2 3.03Å; W274-D279 VanDerWaalsContact NE1-OD2 3.15Å; T275-D279 PolarHBondContact O-N 2.9Å; Y276-D279 PolarHBondContact O-N 3.23Å; Y276-D279 VanDerWaalsContact O-N 3.14Å; D279-L282 PolarHBondContact O-N 3.35Å; D279-I283 VanDerWaalsContact O-CG1 3.29Å; D279-I283 WeakPolarHBondContact O-CG1 3.21Å; D279-I283 PolarHBondContact O-N 3.06Å; D279-R467 IonicContact OD1-CZ 3.52Å; D279-R467 IonicContact OD1-NE 2.82Å; D279-R467 PolarHBondContact OD1-NE 3.03Å; D279-R467 IonicContact OD1-NH2 2.79Å; D279-R467 PolarHBondContact OD1-NH2 3.35Å; D279-R467 IonicContact OD2-CZ 3.55Å; D279-R467 IonicContact OD2-NE 3.44Å; D279-R467 IonicContact OD2-NH2 2.71Å; D279-R467 PolarHBondContact OD2-NH2 3.1Å; D279-L471 HydrophobicContact CB-CD1 4.48Å; D279-F505 HydrophobicContact CB-CE1 4.06Å; D279-F505 HydrophobicContact CB-CZ 3.66Å
280	E	92.1	Very high	90.8	Very high	39 Å²	39	37.8 Å²	37.8	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-46	174.1	-67.7	-169.6	141.9	0	0	112.1	Y276 L282 I283 H284 Q504 F505	Y276-E280 HydrophobicContact CD1-CG 4.23Å; Y276-E280 HydrophobicContact CE1-CG 3.68Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.27Å; Y276-E280 HydrophobicContact CE2-CG 4.46Å; Y276-E280 PolarHBondContact O-N 3.4Å; Y276-E280 PolarHBondContact OH-OE1 2.57Å; E280-L282 VanDerWaalsContact C-N 3.29Å; E280-L282 PolarHBondContact O-N 3.11Å; E280-I283 WeakPolarHBondContact O-CB 3.39Å; E280-I283 PolarHBondContact O-N 3.2Å; E280-I283 VanDerWaalsContact O-N 3.17Å; E280-H284 PolarHBondContact O-CD2 3.04Å; E280-H284 VanDerWaalsContact O-CD2 3.22Å; E280-H284 PolarHBondContact O-N 3.46Å; E280-Q504 HydrophobicContact CG-CB 4.18Å; E280-Q504 HydrophobicContact CG-CG 4.38Å; E280-Q504 WeakPolarHBondContact OE1-CG 3.27Å; E280-F505 HydrophobicContact CG-CE2 4.31Å
281	D	93.4	Very high	89.1	Confident	15 Å²	15	39.8 Å²	39.8	8%	0.08	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-40.9	173.4	-82.9	3.5	0	0	0	111.8	E277 I283 H284 F285 Y453 R455 L456	E277-D281 WeakPolarHBondContact O-CB 3.49Å; E277-D281 PolarHBondContact O-N 3.22Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 2.64Å; D281-H284 PolarHBondContact O-N 3.18Å; D281-F285 WeakPolarHBondContact O-CB 3.44Å; D281-F285 PolarHBondContact O-N 3.13Å; D281-Y453 HydrophobicContact CB-CD1 3.98Å; D281-R455 VanDerWaalsContact CG-NH2 3.28Å; D281-R455 IonicContact OD1-CZ 3.76Å; D281-R455 IonicContact OD1-NE 2.72Å; D281-R455 IonicContact OD1-NH2 3.21Å; D281-R455 PolarHBondContact OD1-NH2 3.02Å; D281-R455 WeakPolarHBondContact OD2-CB 3.38Å; D281-R455 IonicContact OD2-CZ 3.73Å; D281-R455 VanDerWaalsContact OD2-CZ 3.31Å; D281-R455 IonicContact OD2-NE 2.7Å; D281-R455 PolarHBondContact OD2-NE 2.93Å; D281-R455 IonicContact OD2-NH2 2.67Å; D281-R455 PolarHBondContact OD2-NH2 3.22Å; D281-R455 VanDerWaalsContact OD2-NH2 3.16Å; D281-L456 HydrophobicContact CB-CD1 4.17Å; D281-L456 HydrophobicContact CB-CD2 4.16Å; D281-L456 HydrophobicContact CB-CG 4.06Å
282	L	95.6	Very high	87.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-36.9	177.2	-174.1	59.3	0	0	0	111.5	W274 C278 D279 E280 F285 L286 F445 L456 R467 A468 L471	W274-L282 HydrophobicContact CH2-CD2 4.12Å; W274-L282 HydrophobicContact CZ2-CD2 4.03Å; C278-L282 VanDerWaalsContact O-CB 3.25Å; C278-L282 WeakPolarHBondContact O-CB 3.37Å; C278-L282 PolarHBondContact O-N 3.26Å; D279-L282 PolarHBondContact O-N 3.35Å; E280-L282 VanDerWaalsContact C-N 3.29Å; E280-L282 PolarHBondContact O-N 3.11Å; L282-F285 HydrophobicContact CD1-CD1 4.4Å; L282-L286 HydrophobicContact CG-CD1 4.35Å; L282-L286 WeakPolarHBondContact O-CB 3.44Å; L282-L286 WeakPolarHBondContact O-CD1 3.35Å; L282-L286 WeakPolarHBondContact O-CG 3.15Å; L282-L286 PolarHBondContact O-N 3.28Å; L282-F445 HydrophobicContact CD1-CD1 4.46Å; L282-F445 HydrophobicContact CD1-CE1 3.7Å; L282-L456 HydrophobicContact CB-CD1 4.44Å; L282-L456 HydrophobicContact CB-CD2 4.31Å; L282-L456 HydrophobicContact CD1-CD1 4.35Å; L282-R467 HydrophobicContact CD2-CB 3.89Å; L282-R467 HydrophobicContact CD2-CG 3.67Å; L282-A468 HydrophobicContact CD1-CB 4.32Å; L282-A468 HydrophobicContact CD2-CB 4.27Å; L282-A468 HydrophobicContact CG-CB 4.44Å; L282-L471 HydrophobicContact CB-CD1 4.44Å; L282-L471 HydrophobicContact CD2-CD1 3.87Å; L282-L471 HydrophobicContact CG-CD1 4.17Å
283	I	94.6	Very high	85.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-47.4	172.4	-72.9	-66.3	0	0	0	111.7	D279 E280 D281 L286 Y287 L471 Q504 F505 L507 L508	D279-I283 VanDerWaalsContact O-CG1 3.29Å; D279-I283 WeakPolarHBondContact O-CG1 3.21Å; D279-I283 PolarHBondContact O-N 3.06Å; E280-I283 WeakPolarHBondContact O-CB 3.39Å; E280-I283 PolarHBondContact O-N 3.2Å; E280-I283 VanDerWaalsContact O-N 3.17Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 2.64Å; I283-L286 PolarHBondContact O-N 3.35Å; I283-Y287 WeakPolarHBondContact O-CB 3.27Å; I283-Y287 PolarHBondContact O-N 2.79Å; I283-L471 HydrophobicContact CD1-CB 4.34Å; I283-L471 HydrophobicContact CD1-CD1 3.92Å; I283-L471 HydrophobicContact CG1-CD1 4.07Å; I283-Q504 VanDerWaalsContact CG2-O 3.3Å; I283-Q504 WeakPolarHBondContact CG2-O 3.2Å; I283-F505 HydrophobicContact CD1-CB 4.39Å; I283-F505 HydrophobicContact CD1-CD1 3.66Å; I283-F505 HydrophobicContact CD1-CE1 4.21Å; I283-F505 HydrophobicContact CD1-CG 4.24Å; I283-F505 HydrophobicContact CG1-CD1 3.6Å; I283-F505 HydrophobicContact CG1-CE1 3.82Å; I283-F505 HydrophobicContact CG1-CG 4.02Å; I283-F505 HydrophobicContact CG1-CZ 4.41Å; I283-L507 HydrophobicContact CG2-CB 4.29Å; I283-L507 HydrophobicContact CG2-CD1 4.4Å; I283-L508 HydrophobicContact CD1-CD1 3.49Å; I283-L508 VanDerWaalsContact CD1-CD1 3.49Å; I283-L508 HydrophobicContact CD1-CG 4.08Å; I283-L508 HydrophobicContact CG2-CG 4.39Å
284	H	90.6	Very high	82.9	Confident	39 Å²	39	40.2 Å²	40.2	18%	0.181	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-43.9	178.1	-81.8	-74.6	0	0	0	111.6	E280 D281 L286 Y287 D288 Y453 Q504 L507	E280-H284 PolarHBondContact O-CD2 3.04Å; E280-H284 VanDerWaalsContact O-CD2 3.22Å; E280-H284 PolarHBondContact O-N 3.46Å; D281-H284 PolarHBondContact O-N 3.18Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.49Å; H284-Y287 PolarHBondContact O-N 3.25Å; H284-Y287 VanDerWaalsContact O-N 3.13Å; H284-D288 PolarHBondContact O-N 2.58Å; H284-Y453 HydrophobicContact CB-CE1 3.79Å; H284-Y453 PolarHBondContact O-OH 2.91Å; H284-Q504 PolarHBondContact CE1-OE1 2.89Å; H284-Q504 PolarHBondContact NE2-OE1 3.44Å; H284-L507 WeakPolarHBondContact CE1-CD1 3.33Å
285	F	92.8	Very high	80.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-47.1	173.4	173.6	-102.7	0	0	0	111.7	D281 L282 D288 H289 L444 F445 S449 L450 Y453 L456	D281-F285 WeakPolarHBondContact O-CB 3.44Å; D281-F285 PolarHBondContact O-N 3.13Å; L282-F285 HydrophobicContact CD1-CD1 4.4Å; F285-D288 PolarHBondContact O-N 3.24Å; F285-H289 AromaticContact CD2-CE1 3.43Å; F285-H289 VanDerWaalsContact CD2-CE1 3.43Å; F285-H289 WeakPolarHBondContact CD2-CE1 3.41Å; F285-H289 AromaticContact CD2-ND1 3.39Å; F285-H289 WeakPolarHBondContact CD2-ND1 3.4Å; F285-H289 AromaticContact CE2-CE1 3.39Å; F285-H289 WeakPolarHBondContact CE2-CE1 3.31Å; F285-H289 AromaticContact CE2-CG 3.93Å; F285-H289 AromaticContact CE2-ND1 3.46Å; F285-H289 WeakPolarHBondContact CE2-ND1 3.19Å; F285-H289 AromaticContact CE2-NE2 3.82Å; F285-H289 WeakPolarHBondContact O-CB 3.45Å; F285-H289 PolarHBondContact O-N 2.86Å; F285-H289 VanDerWaalsContact O-N 3.08Å; F285-H289 PolarHBondContact O-ND1 2.87Å; F285-L444 HydrophobicContact CE1-CD1 4.21Å; F285-L444 HydrophobicContact CE1-CD2 3.92Å; F285-L444 HydrophobicContact CE1-CG 3.67Å; F285-L444 HydrophobicContact CZ-CD1 3.73Å; F285-L444 HydrophobicContact CZ-CD2 4.3Å; F285-L444 HydrophobicContact CZ-CG 3.64Å; F285-L444 WeakPolarHBondContact CZ-O 3.32Å; F285-F445 HydrophobicContact CD1-CD1 4.33Å; F285-F445 AromaticContact CD1-CE1 3.92Å; F285-F445 HydrophobicContact CD1-CE1 3.92Å; F285-F445 AromaticContact CE1-CD1 3.64Å; F285-F445 HydrophobicContact CE1-CD1 3.64Å; F285-F445 AromaticContact CE1-CE1 3.5Å; F285-F445 HydrophobicContact CE1-CE1 3.5Å; F285-F445 VanDerWaalsContact CE1-CE1 3.5Å; F285-F445 HydrophobicContact CE1-CZ 4.32Å; F285-F445 HydrophobicContact CZ-CD1 4.44Å; F285-S449 WeakPolarHBondContact CE2-O 3.18Å; F285-L450 HydrophobicContact CD2-CD2 4.12Å; F285-L450 HydrophobicContact CE1-CD2 4.2Å; F285-L450 HydrophobicContact CE2-CD2 3.8Å; F285-L450 HydrophobicContact CG-CD2 4.47Å; F285-L450 HydrophobicContact CZ-CD2 3.83Å; F285-Y453 HydrophobicContact CB-CD1 4.32Å; F285-Y453 HydrophobicContact CB-CD2 3.98Å; F285-Y453 HydrophobicContact CB-CE1 4.19Å; F285-Y453 HydrophobicContact CB-CE2 3.85Å; F285-Y453 HydrophobicContact CB-CG 4.22Å; F285-Y453 AromaticContact CD2-CD2 3.65Å; F285-Y453 HydrophobicContact CD2-CD2 3.65Å; F285-Y453 AromaticContact CD2-CE2 3.69Å; F285-Y453 HydrophobicContact CD2-CE2 3.69Å; F285-Y453 HydrophobicContact CG-CD2 4.26Å; F285-Y453 HydrophobicContact CG-CE2 4.28Å; F285-L456 HydrophobicContact CB-CD1 4.14Å; F285-L456 HydrophobicContact CG-CD1 4.41Å
286	L	91.8	Very high	78.4	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-38.3	174.9	-72.1	168.4	0	0	0	112.1	L282 I283 H284 L290 L440 L444 F445 A468 L508	L282-L286 HydrophobicContact CG-CD1 4.35Å; L282-L286 WeakPolarHBondContact O-CB 3.44Å; L282-L286 WeakPolarHBondContact O-CD1 3.35Å; L282-L286 WeakPolarHBondContact O-CG 3.15Å; L282-L286 PolarHBondContact O-N 3.28Å; I283-L286 PolarHBondContact O-N 3.35Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.49Å; L286-L290 HydrophobicContact CB-CD1 4.13Å; L286-L290 HydrophobicContact CB-CG 4.37Å; L286-L290 HydrophobicContact CD2-CD1 3.96Å; L286-L290 HydrophobicContact CD2-CD2 4.48Å; L286-L290 HydrophobicContact CD2-CG 4.08Å; L286-L290 WeakPolarHBondContact O-CA 3.26Å; L286-L290 WeakPolarHBondContact O-CB 3.42Å; L286-L290 VanDerWaalsContact O-CG 3.26Å; L286-L290 WeakPolarHBondContact O-CG 3.41Å; L286-L290 PolarHBondContact O-N 3.28Å; L286-L440 HydrophobicContact CD2-CD1 3.77Å; L286-L444 HydrophobicContact CD2-CD2 4.34Å; L286-F445 HydrophobicContact CD2-CZ 4.05Å; L286-A468 HydrophobicContact CD1-CB 3.89Å; L286-A468 HydrophobicContact CD2-CB 4.29Å; L286-L508 HydrophobicContact CB-CD1 3.95Å; L286-L508 HydrophobicContact CB-CD2 4.01Å; L286-L508 HydrophobicContact CD1-CD1 3.93Å
287	Y	87.4	Confident	76.8	Confident	67 Å²	67	52 Å²	52	26%	0.263	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-32.1	-179.7	174.1	-114.8	0	0	0	113.5	I283 H284 K292 L507	I283-Y287 WeakPolarHBondContact O-CB 3.27Å; I283-Y287 PolarHBondContact O-N 2.79Å; H284-Y287 PolarHBondContact O-N 3.25Å; H284-Y287 VanDerWaalsContact O-N 3.13Å; Y287-K292 HydrophobicContact CE2-CD 4.45Å; Y287-K292 WeakPolarHBondContact O-CE 3.47Å; Y287-L507 HydrophobicContact CD1-CD2 4.5Å; Y287-L507 HydrophobicContact CD2-CB 4.12Å; Y287-L507 WeakPolarHBondContact CD2-O 3.45Å; Y287-L507 HydrophobicContact CE1-CD2 4.27Å; Y287-L507 HydrophobicContact CG-CB 4.06Å
288	D	83.2	Confident	75.2	Confident	79 Å²	79	51 Å²	51	42%	0.422	27%	0.269	S	S	.	.	H	α-helix	trans	-84.6	-26.2	176.3	-81.1	-19.5	0	0	0	113.5	H284 F285 K292 Y453	H284-D288 PolarHBondContact O-N 2.58Å; F285-D288 PolarHBondContact O-N 3.24Å; D288-K292 IonicContact OD1-NZ 3.53Å; D288-K292 PolarHBondContact OD1-NZ 2.96Å; D288-Y453 PolarHBondContact OD2-OH 3.39Å
289	H	80.9	Confident	74.2	Confident	75 Å²	75	52.1 Å²	52.1	35%	0.347	28%	0.277	S	S	.	.	H	α-helix	trans	-107.4	-29	-175.3	-64	82.7	0	0	0	115.7	F285 G291 L444	F285-H289 AromaticContact CD2-CE1 3.43Å; F285-H289 VanDerWaalsContact CD2-CE1 3.43Å; F285-H289 WeakPolarHBondContact CD2-CE1 3.41Å; F285-H289 AromaticContact CD2-ND1 3.39Å; F285-H289 WeakPolarHBondContact CD2-ND1 3.4Å; F285-H289 AromaticContact CE2-CE1 3.39Å; F285-H289 WeakPolarHBondContact CE2-CE1 3.31Å; F285-H289 AromaticContact CE2-CG 3.93Å; F285-H289 AromaticContact CE2-ND1 3.46Å; F285-H289 WeakPolarHBondContact CE2-ND1 3.19Å; F285-H289 AromaticContact CE2-NE2 3.82Å; F285-H289 WeakPolarHBondContact O-CB 3.45Å; F285-H289 PolarHBondContact O-N 2.86Å; F285-H289 VanDerWaalsContact O-N 3.08Å; F285-H289 PolarHBondContact O-ND1 2.87Å; H289-G291 VanDerWaalsContact C-N 3.34Å; H289-G291 PolarHBondContact O-N 3.29Å; H289-L444 HydrophobicContact CB-CD1 3.53Å; H289-L444 HydrophobicContact CB-CD2 4.08Å; H289-L444 HydrophobicContact CB-CG 4.4Å
290	L	76.4	Confident	73.7	Confident	59 Å²	59	52.1 Å²	52.1	31%	0.309	28%	0.277	S	S	.	.	S	Bend	trans	-71.2	99.7	162.5	-59.7	-179.9	0	0	0	105.9	L286 K292 L440 L444	L286-L290 HydrophobicContact CB-CD1 4.13Å; L286-L290 HydrophobicContact CB-CG 4.37Å; L286-L290 HydrophobicContact CD2-CD1 3.96Å; L286-L290 HydrophobicContact CD2-CD2 4.48Å; L286-L290 HydrophobicContact CD2-CG 4.08Å; L286-L290 WeakPolarHBondContact O-CA 3.26Å; L286-L290 WeakPolarHBondContact O-CB 3.42Å; L286-L290 VanDerWaalsContact O-CG 3.26Å; L286-L290 WeakPolarHBondContact O-CG 3.41Å; L286-L290 PolarHBondContact O-N 3.28Å; L290-K292 PolarHBondContact O-N 3.24Å; L290-K292 VanDerWaalsContact O-N 3.1Å; L290-L440 HydrophobicContact CD2-CD1 3.9Å; L290-L444 HydrophobicContact CD2-CD2 4.33Å
291	G	57.8	Low	73.2	Confident	65 Å²	65	55.5 Å²	55.5	67%	0.67	29%	0.291	S	S	*	.			trans	-47	120	-167.3	0	0	0	0	0	111.8	H289 E293	H289-G291 VanDerWaalsContact C-N 3.34Å; H289-G291 PolarHBondContact O-N 3.29Å; G291-E293 WeakPolarHBondContact O-CA 3.38Å; G291-E293 PolarHBondContact O-N 2.78Å
292	K	55	Low	72.7	Confident	116 Å²	116	60.6 Å²	60.6	50%	0.504	31%	0.314	S	S	.	.			trans	-47.5	107.8	-178.4	-67.5	-179.3	-175.1	172	0	107.9	Y287 D288 L290 D294	Y287-K292 HydrophobicContact CE2-CD 4.45Å; Y287-K292 WeakPolarHBondContact O-CE 3.47Å; D288-K292 IonicContact OD1-NZ 3.53Å; D288-K292 PolarHBondContact OD1-NZ 2.96Å; L290-K292 PolarHBondContact O-N 3.24Å; L290-K292 VanDerWaalsContact O-N 3.1Å; K292-D294 WeakPolarHBondContact O-CA 3.34Å; K292-D294 PolarHBondContact O-N 3.09Å
293	E	49.1	Very low	72.4	Confident	64 Å²	64	63.2 Å²	63.2	30%	0.299	32%	0.324	S	S	.	.			trans	-65.9	98.8	-157.5	-161.6	-154.4	-90.9	0	0	107.1	G291 E295 K353 K431 R510	G291-E293 WeakPolarHBondContact O-CA 3.38Å; G291-E293 PolarHBondContact O-N 2.78Å; E293-E295 PolarHBondContact O-N 2.85Å; E293-K353 IonicContact OE1-NZ 3.04Å; E293-K353 IonicContact OE2-NZ 2.64Å; E293-K353 PolarHBondContact OE2-NZ 3.38Å; E293-K431 PolarHBondContact O-NZ 2.86Å; E293-K431 WeakPolarHBondContact OE2-CE 3.19Å; E293-K431 IonicContact OE2-NZ 2.74Å; E293-K431 PolarHBondContact OE2-NZ 2.97Å; E293-R510 IonicContact OE1-CZ 3.65Å; E293-R510 VanDerWaalsContact OE1-CZ 3.3Å; E293-R510 IonicContact OE1-NE 3.03Å; E293-R510 PolarHBondContact OE1-NE 3.14Å; E293-R510 VanDerWaalsContact OE1-NE 3.09Å; E293-R510 IonicContact OE1-NH2 3.78Å; E293-R510 PolarHBondContact OE1-NH2 2.99Å
294	D	42	Very low	72.1	Confident	102 Å²	102	63.6 Å²	63.6	55%	0.545	33%	0.326	S	S	.	.			trans	-51.1	111.1	-152.8	-154	-25.5	0	0	0	112.3	K292 N296 K431	K292-D294 WeakPolarHBondContact O-CA 3.34Å; K292-D294 PolarHBondContact O-N 3.09Å; D294-N296 PolarHBondContact O-N 2.81Å; D294-N296 VanDerWaalsContact O-N 3.16Å; D294-N296 WeakPolarHBondContact OD1-CB 3.3Å; D294-N296 PolarHBondContact OD1-N 2.92Å; D294-N296 PolarHBondContact OD1-ND2 2.91Å; D294-K431 WeakPolarHBondContact O-CE 3.16Å; D294-K431 PolarHBondContact O-NZ 3.24Å
295	E	45.4	Very low	72.2	Confident	145 Å²	145	68 Å²	68	68%	0.678	35%	0.347	S	S	*	.			trans	-70.5	-9	-174.4	-69.1	-165.3	155.5	0	0	112.2	E293 L297	E293-E295 PolarHBondContact O-N 2.85Å; E295-L297 PolarHBondContact O-N 3.16Å
296	N	47	Very low	72.2	Confident	133 Å²	133	69.8 Å²	69.8	71%	0.711	36%	0.36	S	S	*	.			trans	-64.8	80.1	164.8	-64.1	-69.1	0	0	0	110.9	D294 G298	D294-N296 PolarHBondContact O-N 2.81Å; D294-N296 VanDerWaalsContact O-N 3.16Å; D294-N296 WeakPolarHBondContact OD1-CB 3.3Å; D294-N296 PolarHBondContact OD1-N 2.92Å; D294-N296 PolarHBondContact OD1-ND2 2.91Å; N296-G298 PolarHBondContact O-N 3.49Å; N296-G298 VanDerWaalsContact O-N 3.15Å
297	L	56.6	Low	72.3	Confident	55 Å²	55	71.3 Å²	71.3	29%	0.288	37%	0.368	S	S	.	.			trans	-56.2	114.8	165.7	-66.2	172.9	0	0	0	108.9	E295 L355 K429 K431	E295-L297 PolarHBondContact O-N 3.16Å; L297-L355 HydrophobicContact CD1-CD1 3.92Å; L297-L355 HydrophobicContact CD1-CD2 4.31Å; L297-L355 HydrophobicContact CD2-CD1 3.67Å; L297-L355 HydrophobicContact CG-CD1 4.47Å; L297-K429 HydrophobicContact CB-CB 4.2Å; L297-K429 HydrophobicContact CD1-CB 4.02Å; L297-K429 HydrophobicContact CD1-CD 3.99Å; L297-K431 HydrophobicContact CD2-CB 3.99Å
298	G	57.7	Low	72.6	Confident	11 Å²	11	71.5 Å²	71.5	11%	0.113	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	147.2	-179.3	0	0	0	0	0	111.5	N296 V300 I430	N296-G298 PolarHBondContact O-N 3.49Å; N296-G298 VanDerWaalsContact O-N 3.15Å; G298-V300 PolarHBondContact O-N 3.26Å; G298-I430 PolarHBondContact N-O 2.82Å
299	S	73.7	Confident	73.2	Confident	31 Å²	31	68.8 Å²	68.8	22%	0.217	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	126.6	171.7	178.5	0	0	0	0	109.5	K301 Q302 T322	S299-K301 PolarHBondContact O-N 3.16Å; S299-Q302 WeakPolarHBondContact O-CB 3.47Å; S299-Q302 WeakPolarHBondContact O-CG 3.36Å; S299-Q302 PolarHBondContact O-N 3.23Å; S299-T322 PolarHBondContact OG-O 3.24Å
300	V	83.8	Confident	73.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-55.7	-29.7	-171.6	62.6	0	0	0	0	113.1	G298 Q302 Y303 V304 I307 T322 L343 V428 I430	G298-V300 PolarHBondContact O-N 3.26Å; V300-Q302 PolarHBondContact O-N 2.92Å; V300-Y303 PolarHBondContact O-N 3.44Å; V300-V304 HydrophobicContact CG2-CG1 3.65Å; V300-V304 HydrophobicContact CG2-CG2 4.42Å; V300-V304 WeakPolarHBondContact O-CG2 3.37Å; V300-V304 PolarHBondContact O-N 2.72Å; V300-V304 VanDerWaalsContact O-N 3.16Å; V300-I307 HydrophobicContact CG1-CD1 3.76Å; V300-T322 HydrophobicContact CG1-CG2 3.56Å; V300-L343 HydrophobicContact CG2-CD1 4.21Å; V300-L343 HydrophobicContact CG2-CD2 4.24Å; V300-V428 HydrophobicContact CB-CG1 4.46Å; V300-V428 HydrophobicContact CG1-CB 4.28Å; V300-V428 HydrophobicContact CG1-CG1 4.34Å; V300-V428 WeakPolarHBondContact CG1-O 3.18Å; V300-V428 HydrophobicContact CG2-CG1 4.34Å; V300-I430 HydrophobicContact CB-CB 4.44Å; V300-I430 HydrophobicContact CB-CG2 3.96Å; V300-I430 HydrophobicContact CG2-CB 4.3Å; V300-I430 HydrophobicContact CG2-CG2 3.98Å
301	K	82.9	Confident	74.5	Confident	110 Å²	110	65.4 Å²	65.4	48%	0.478	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-46.5	-32.7	169.4	-79.1	169.8	165.6	158.5	0	114.4	S299 Y303 I307 T322 K346	S299-K301 PolarHBondContact O-N 3.16Å; K301-Y303 VanDerWaalsContact C-N 3.26Å; K301-Y303 PolarHBondContact O-N 3.23Å; K301-I307 HydrophobicContact CG-CD1 4.4Å; K301-T322 HydrophobicContact CD-CG2 4.44Å; K301-T322 WeakPolarHBondContact CE-OG1 3.28Å; K301-T322 HydrophobicContact CG-CG2 4.24Å; K301-T322 PolarHBondContact NZ-OG1 3.25Å; K301-K346 PolarHBondContact O-NZ 3Å
302	Q	83	Confident	76	Confident	122 Å²	122	68.4 Å²	68.4	57%	0.57	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-66	-30.5	178.1	-63.2	-176.3	7.1	0	0	112.2	S299 V300 K346	S299-Q302 WeakPolarHBondContact O-CB 3.47Å; S299-Q302 WeakPolarHBondContact O-CG 3.36Å; S299-Q302 PolarHBondContact O-N 3.23Å; V300-Q302 PolarHBondContact O-N 2.92Å; Q302-K346 WeakPolarHBondContact O-CD 3.36Å; Q302-K346 PolarHBondContact O-NZ 2.82Å
303	Y	87.6	Confident	77.4	Confident	55 Å²	55	64.6 Å²	64.6	22%	0.216	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-8.3	-167.7	-48.5	-80.1	0	0	0	114.8	V300 K301 K346 I430 S432	V300-Y303 PolarHBondContact O-N 3.44Å; K301-Y303 VanDerWaalsContact C-N 3.26Å; K301-Y303 PolarHBondContact O-N 3.23Å; Y303-K346 VanDerWaalsContact O-CB 3.28Å; Y303-K346 WeakPolarHBondContact O-CB 3.34Å; Y303-K346 PolarHBondContact O-N 3.44Å; Y303-I430 HydrophobicContact CD2-CG2 3.22Å; Y303-I430 HydrophobicContact CE2-CG2 3.72Å; Y303-I430 HydrophobicContact CG-CG2 4.02Å; Y303-S432 WeakPolarHBondContact CD1-OG 3.3Å; Y303-S432 WeakPolarHBondContact CE1-OG 3.47Å
304	V	89.6	Confident	78.8	Confident	7 Å²	7	70.2 Å²	70.2	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	156	177	-57	0	0	0	0	112.2	V300 I307 L343 T344 M345 K346	V300-V304 HydrophobicContact CG2-CG1 3.65Å; V300-V304 HydrophobicContact CG2-CG2 4.42Å; V300-V304 WeakPolarHBondContact O-CG2 3.37Å; V300-V304 PolarHBondContact O-N 2.72Å; V300-V304 VanDerWaalsContact O-N 3.16Å; V304-I307 HydrophobicContact CG2-CD1 4.06Å; V304-I307 HydrophobicContact CG2-CG1 3.61Å; V304-L343 HydrophobicContact CG1-CB 4.06Å; V304-L343 HydrophobicContact CG1-CD2 4.39Å; V304-T344 CarbonylContact C-O 3.48Å; V304-T344 VanDerWaalsContact CA-O 3.23Å; V304-T344 WeakPolarHBondContact CA-O 3.47Å; V304-T344 VanDerWaalsContact CB-O 3.3Å; V304-T344 WeakPolarHBondContact CB-O 3.49Å; V304-M345 HydrophobicContact CG1-CE 4.26Å; V304-M345 HydrophobicContact CG1-SD 3.8Å; V304-K346 WeakPolarHBondContact O-CE 3.38Å; V304-K346 PolarHBondContact O-NZ 3.09Å
305	E	91.4	Very high	80.5	Confident	133 Å²	133	72.8 Å²	72.8	62%	0.621	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	-38.6	173.7	-61.2	-178.4	-177	0	0	110.6	T344 K346	E305-T344 HydrophobicContact CB-CG2 4.17Å; E305-T344 PolarHBondContact N-O 2.89Å; E305-K346 HydrophobicContact CG-CB 4.28Å; E305-K346 HydrophobicContact CG-CG 3.47Å; E305-K346 VanDerWaalsContact CG-CG 3.47Å; E305-K346 WeakPolarHBondContact OE1-CA 3.27Å
306	S	93.1	Very high	82.4	Confident	37 Å²	37	68.3 Å²	68.3	26%	0.259	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.6	169.4	74.1	0	0	0	0	111.7	D308 T344	S306-D308 WeakPolarHBondContact CB-OD2 3.2Å; S306-D308 PolarHBondContact OG-OD2 3.37Å; S306-T344 PolarHBondContact O-N 2.92Å; S306-T344 VanDerWaalsContact O-N 3.16Å; S306-T344 VanDerWaalsContact OG-CB 3.23Å; S306-T344 WeakPolarHBondContact OG-CB 3.4Å; S306-T344 PolarHBondContact OG-OG1 3.39Å
307	I	94.8	Very high	84.3	Confident	32 Å²	32	64 Å²	64	16%	0.164	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121	164.6	-54.7	172.4	0	0	0	105.4	V300 K301 V304 V318 L321 T322 V341 R342 L343	V300-I307 HydrophobicContact CG1-CD1 3.76Å; K301-I307 HydrophobicContact CG-CD1 4.4Å; V304-I307 HydrophobicContact CG2-CD1 4.06Å; V304-I307 HydrophobicContact CG2-CG1 3.61Å; I307-V318 HydrophobicContact CB-CG2 4.14Å; I307-V318 HydrophobicContact CG2-CG2 3.62Å; I307-L321 HydrophobicContact CG2-CD1 4.42Å; I307-T322 HydrophobicContact CD1-CG2 3.45Å; I307-T322 VanDerWaalsContact CD1-CG2 3.45Å; I307-V341 HydrophobicContact CG2-CG1 4.06Å; I307-R342 WeakPolarHBondContact CA-O 3.21Å; I307-L343 HydrophobicContact CB-CD2 4.45Å; I307-L343 HydrophobicContact CG1-CD2 4.05Å; I307-L343 HydrophobicContact CG2-CD2 4.01Å
308	D	94.3	Very high	85.9	Confident	71 Å²	71	63.4 Å²	63.4	38%	0.38	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.7	-177	-58.3	-85.9	0	0	0	108.2	S306 W340 V341 R342	S306-D308 WeakPolarHBondContact CB-OD2 3.2Å; S306-D308 PolarHBondContact OG-OD2 3.37Å; D308-W340 HydrophobicContact CB-CZ3 4.09Å; D308-V341 CarbonylContact O-C 3.54Å; D308-R342 HydrophobicContact CB-CB 4.38Å; D308-R342 PolarHBondContact N-O 2.79Å; D308-R342 PolarHBondContact O-N 3Å
309	V	94.7	Very high	87.4	Confident	21 Å²	21	65.4 Å²	65.4	13%	0.127	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.2	-178.2	-63.4	0	0	0	0	111	S311 Y312 V318 L321 W330 W340 V341	V309-S311 VanDerWaalsContact C-N 3.33Å; V309-S311 PolarHBondContact O-N 2.87Å; V309-Y312 HydrophobicContact CG2-CD1 3.69Å; V309-Y312 HydrophobicContact CG2-CE1 4.44Å; V309-V318 HydrophobicContact CG1-CB 4.38Å; V309-V318 HydrophobicContact CG1-CG2 3.82Å; V309-V318 HydrophobicContact CG2-CB 4.32Å; V309-L321 HydrophobicContact CG1-CD1 4.03Å; V309-W330 HydrophobicContact CB-CZ2 3.93Å; V309-W330 HydrophobicContact CG1-CZ2 4.3Å; V309-W340 WeakPolarHBondContact CA-O 3.32Å; V309-V341 HydrophobicContact CG1-CB 4.48Å; V309-V341 HydrophobicContact CG1-CG1 4.22Å; V309-V341 HydrophobicContact CG1-CG2 4.15Å
310	S	93.3	Very high	88.1	Confident	36 Å²	36	64.4 Å²	64.4	25%	0.252	32%	0.321	S	S	.	.	S	Bend	trans	-57.5	-42.6	178.3	47.9	0	0	0	0	113.6	H339 W340	S310-H339 WeakPolarHBondContact OG-CA 3.29Å; S310-W340 PolarHBondContact N-O 2.99Å; S310-W340 PolarHBondContact OG-N 2.76Å
311	S	91.9	Very high	88.4	Confident	27 Å²	27	64.4 Å²	64.4	19%	0.189	32%	0.322	C	S	.	.			trans	-170.1	170.7	-179.9	53.6	0	0	0	0	109.9	V309 W330 D333	V309-S311 VanDerWaalsContact C-N 3.33Å; V309-S311 PolarHBondContact O-N 2.87Å; S311-W330 WeakPolarHBondContact O-CZ2 3.27Å; S311-W330 PolarHBondContact O-NE1 2.99Å; S311-D333 WeakPolarHBondContact CB-O 3.34Å; S311-D333 PolarHBondContact OG-N 3.42Å; S311-D333 VanDerWaalsContact OG-N 3.1Å; S311-D333 PolarHBondContact OG-O 3.22Å
312	Y	89.2	Confident	88.6	Confident	128 Å²	128	59.6 Å²	59.6	50%	0.502	30%	0.301	S	S	.	.			trans	-161.8	154.8	172.9	55	-87	0	0	0	112.3	V309 N317 E331	V309-Y312 HydrophobicContact CG2-CD1 3.69Å; V309-Y312 HydrophobicContact CG2-CE1 4.44Å; Y312-N317 HydrophobicContact CD2-CB 3.5Å; Y312-N317 HydrophobicContact CE2-CB 3.94Å; Y312-N317 HydrophobicContact CG-CB 4.13Å; Y312-E331 VanDerWaalsContact CA-O 3.3Å; Y312-E331 WeakPolarHBondContact CA-O 3.29Å
313	T	84.4	Confident	88.4	Confident	37 Å²	37	57.1 Å²	57.1	23%	0.227	29%	0.292	C	S	.	.			trans	-82.2	151.9	165.4	62.8	0	0	0	0	110.7	E315 F316 E331 D333	T313-E315 VanDerWaalsContact C-N 3.3Å; T313-E315 PolarHBondContact O-N 3.27Å; T313-F316 CarbonylContact O-C 3.56Å; T313-F316 PolarHBondContact O-N 3.25Å; T313-E331 PolarHBondContact N-O 3.29Å; T313-D333 HydrophobicContact CG2-CB 4.17Å
314	E	77.8	Confident	87.6	Confident	181 Å²	181	59.2 Å²	59.2	85%	0.846	32%	0.315	S	S	*	.	S	Bend	trans	-58.7	-39.4	-171.9	-65.3	-167.1	153.7	0	0	113	N317	E314-N317 PolarHBondContact O-ND2 2.88Å
315	E	77.9	Confident	86.8	Confident	156 Å²	156	62.2 Å²	62.2	73%	0.729	33%	0.33	S	S	*	.	S	Bend	trans	-73.7	-40.4	179.2	-61.3	-171.6	159.7	0	0	112.5	T313	T313-E315 VanDerWaalsContact C-N 3.3Å; T313-E315 PolarHBondContact O-N 3.27Å
316	F	86	Confident	85.8	Confident	51 Å²	51	58.9 Å²	58.9	22%	0.224	33%	0.326	C	S	.	.	S	Bend	trans	-108.1	55.4	-172.8	-58.5	-69.6	0	0	0	111.9	T313 Y329 W330 E331	T313-F316 CarbonylContact O-C 3.56Å; T313-F316 PolarHBondContact O-N 3.25Å; F316-Y329 HydrophobicContact CB-CD2 3.99Å; F316-Y329 HydrophobicContact CB-CE2 4.02Å; F316-Y329 WeakPolarHBondContact CB-O 3.39Å; F316-Y329 HydrophobicContact CD1-CD1 4.44Å; F316-Y329 AromaticContact CD1-CD2 3.69Å; F316-Y329 HydrophobicContact CD1-CD2 3.69Å; F316-Y329 HydrophobicContact CD1-CE1 4.2Å; F316-Y329 AromaticContact CD1-CE2 3.42Å; F316-Y329 HydrophobicContact CD1-CE2 3.42Å; F316-Y329 VanDerWaalsContact CD1-CE2 3.42Å; F316-Y329 HydrophobicContact CD1-CG 4.22Å; F316-Y329 AromaticContact CD1-CZ 3.7Å; F316-Y329 AromaticContact CD2-CE2 3.81Å; F316-Y329 HydrophobicContact CD2-CE2 3.81Å; F316-Y329 HydrophobicContact CE1-CD2 4.39Å; F316-Y329 AromaticContact CE1-CE1 3.96Å; F316-Y329 HydrophobicContact CE1-CE1 3.96Å; F316-Y329 AromaticContact CE1-CE2 3.8Å; F316-Y329 HydrophobicContact CE1-CE2 3.8Å; F316-Y329 AromaticContact CE1-CZ 3.55Å; F316-Y329 HydrophobicContact CE2-CE2 4.16Å; F316-Y329 AromaticContact CG-CD2 3.83Å; F316-Y329 HydrophobicContact CG-CD2 3.83Å; F316-Y329 AromaticContact CG-CE2 3.43Å; F316-Y329 HydrophobicContact CG-CE2 3.43Å; F316-Y329 VanDerWaalsContact CG-CE2 3.43Å; F316-Y329 HydrophobicContact CZ-CE2 4.16Å; F316-Y329 AromaticContact CZ-CZ 3.82Å; F316-Y329 WeakPolarHBondContact CZ-OH 3.22Å; F316-W330 WeakPolarHBondContact O-CA 3.49Å; F316-E331 HydrophobicContact CB-CB 3.73Å; F316-E331 HydrophobicContact CG-CB 4.46Å; F316-E331 PolarHBondContact O-N 3.21Å
317	N	87.6	Confident	84.9	Confident	44 Å²	44	63.5 Å²	63.5	24%	0.235	35%	0.348	C	S	.	.			trans	-85.2	176	-173.3	65.7	71.3	0	0	0	114.2	Y312 E314 S319 C320	Y312-N317 HydrophobicContact CD2-CB 3.5Å; Y312-N317 HydrophobicContact CE2-CB 3.94Å; Y312-N317 HydrophobicContact CG-CB 4.13Å; E314-N317 PolarHBondContact O-ND2 2.88Å; N317-S319 PolarHBondContact O-N 3.12Å; N317-S319 WeakPolarHBondContact OD1-CB 3.35Å; N317-S319 PolarHBondContact OD1-N 2.79Å; N317-S319 VanDerWaalsContact OD1-N 3.12Å; N317-S319 PolarHBondContact OD1-OG 3.21Å; N317-C320 PolarHBondContact O-N 2.99Å; N317-C320 VanDerWaalsContact O-N 3.08Å
318	V	89.8	Confident	84.6	Confident	41 Å²	41	63.5 Å²	63.5	25%	0.248	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-51.9	-21.6	-176.5	70	0	0	0	0	115.2	I307 V309 C320 L321	I307-V318 HydrophobicContact CB-CG2 4.14Å; I307-V318 HydrophobicContact CG2-CG2 3.62Å; V309-V318 HydrophobicContact CG1-CB 4.38Å; V309-V318 HydrophobicContact CG1-CG2 3.82Å; V309-V318 HydrophobicContact CG2-CB 4.32Å; V318-C320 VanDerWaalsContact C-N 3.29Å; V318-C320 PolarHBondContact O-N 3.36Å; V318-L321 HydrophobicContact CG2-CD1 4.29Å; V318-L321 PolarHBondContact O-N 3.43Å
319	S	87.7	Confident	84.5	Confident	53 Å²	53	61.9 Å²	61.9	37%	0.371	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-63.5	-34.8	178.2	66.4	0	0	0	0	112.8	N317 L321 T322 D323	N317-S319 PolarHBondContact O-N 3.12Å; N317-S319 WeakPolarHBondContact OD1-CB 3.35Å; N317-S319 PolarHBondContact OD1-N 2.79Å; N317-S319 VanDerWaalsContact OD1-N 3.12Å; N317-S319 PolarHBondContact OD1-OG 3.21Å; S319-L321 PolarHBondContact O-N 2.94Å; S319-T322 PolarHBondContact O-N 3.07Å; S319-T322 PolarHBondContact O-OG1 3.07Å; S319-D323 PolarHBondContact O-N 3.43Å
320	C	88.9	Confident	84.5	Confident	10 Å²	10	60.9 Å²	60.9	7%	0.068	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-65.9	-18.7	179.9	-61.9	0	0	0	0	113.7	N317 V318 T322 Y329	N317-C320 PolarHBondContact O-N 2.99Å; N317-C320 VanDerWaalsContact O-N 3.08Å; V318-C320 VanDerWaalsContact C-N 3.29Å; V318-C320 PolarHBondContact O-N 3.36Å; C320-T322 PolarHBondContact O-N 2.88Å; C320-Y329 WeakPolarHBondContact CB-O 3.42Å
321	L	89.8	Confident	84.6	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-65.9	-6.9	170.8	-65.1	-177.5	0	0	0	113.4	I307 V309 V318 S319 W330 V341 L425 V428	I307-L321 HydrophobicContact CG2-CD1 4.42Å; V309-L321 HydrophobicContact CG1-CD1 4.03Å; V318-L321 HydrophobicContact CG2-CD1 4.29Å; V318-L321 PolarHBondContact O-N 3.43Å; S319-L321 PolarHBondContact O-N 2.94Å; L321-W330 HydrophobicContact CD1-CB 4.42Å; L321-W330 HydrophobicContact CD2-CB 3.47Å; L321-W330 VanDerWaalsContact CD2-CB 3.47Å; L321-W330 HydrophobicContact CD2-CD2 4.44Å; L321-W330 HydrophobicContact CD2-CE3 4.23Å; L321-W330 HydrophobicContact CD2-CG 4.21Å; L321-W330 HydrophobicContact CG-CB 3.72Å; L321-W330 HydrophobicContact CG-CG 4.31Å; L321-V341 HydrophobicContact CD1-CG1 3.83Å; L321-V341 HydrophobicContact CD1-CG2 4.04Å; L321-L425 HydrophobicContact CD2-CB 3.74Å; L321-V428 HydrophobicContact CB-CG2 4.18Å; L321-V428 HydrophobicContact CD1-CG2 4.14Å; L321-V428 HydrophobicContact CD2-CG2 4.15Å; L321-V428 HydrophobicContact CG-CG2 4.4Å; L321-V428 PolarHBondContact O-N 2.78Å
322	T	86.9	Confident	84.6	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.055	32%	0.318	C	S	.	.	S	Bend	trans	-146.5	-3.7	-161.7	66.8	0	0	0	0	116	S299 V300 K301 I307 S319 C320 S324	S299-T322 PolarHBondContact OG-O 3.24Å; V300-T322 HydrophobicContact CG1-CG2 3.56Å; K301-T322 HydrophobicContact CD-CG2 4.44Å; K301-T322 WeakPolarHBondContact CE-OG1 3.28Å; K301-T322 HydrophobicContact CG-CG2 4.24Å; K301-T322 PolarHBondContact NZ-OG1 3.25Å; I307-T322 HydrophobicContact CD1-CG2 3.45Å; I307-T322 VanDerWaalsContact CD1-CG2 3.45Å; S319-T322 PolarHBondContact O-N 3.07Å; S319-T322 PolarHBondContact O-OG1 3.07Å; C320-T322 PolarHBondContact O-N 2.88Å; T322-S324 PolarHBondContact O-N 3.37Å
323	D	79.8	Confident	84.6	Confident	70 Å²	70	58.4 Å²	58.4	37%	0.374	32%	0.321	S	S	.	.	S	Bend	trans	-71.5	-19.4	179.7	60.4	12.5	0	0	0	112.7	S319 N325 T328	S319-D323 PolarHBondContact O-N 3.43Å; D323-N325 VanDerWaalsContact C-N 3.3Å; D323-N325 PolarHBondContact OD1-N 2.8Å; D323-T328 PolarHBondContact OD1-OG1 2.85Å; D323-T328 WeakPolarHBondContact OD2-CB 3.43Å; D323-T328 PolarHBondContact OD2-OG1 3.38Å
324	S	70.9	Confident	84.4	Confident	99 Å²	99	58 Å²	58	69%	0.692	33%	0.325	S	S	*	.			trans	68.3	23.3	-175.6	-42.1	0	0	0	0	114.3	T322	T322-S324 PolarHBondContact O-N 3.37Å
325	N	73.1	Confident	84.4	Confident	69 Å²	69	52.9 Å²	52.9	37%	0.369	31%	0.309	S	S	.	.			trans	-91.9	148.4	168.9	-177.3	14.9	0	0	0	109.9	D323 D327 T328	D323-N325 VanDerWaalsContact C-N 3.3Å; D323-N325 PolarHBondContact OD1-N 2.8Å; N325-D327 PolarHBondContact OD1-N 3.05Å; N325-D327 VanDerWaalsContact OD1-N 3.16Å; N325-T328 WeakPolarHBondContact CB-OG1 3.42Å
326	A	69.6	Low	84.4	Confident	63 Å²	63	49.8 Å²	49.8	52%	0.521	30%	0.295	S	S	.	.	S	Bend	trans	-94.1	-17.8	178.1	0	0	0	0	0	113	R426	A326-R426 PolarHBondContact O-NH1 3.23Å
327	D	75.5	Confident	83.4	Confident	135 Å²	135	51.2 Å²	51.2	72%	0.722	31%	0.31	S	S	*	.	S	Bend	trans	-90	-6.1	-177.3	-58.6	-38.3	0	0	0	113	N325	N325-D327 PolarHBondContact OD1-N 3.05Å; N325-D327 VanDerWaalsContact OD1-N 3.16Å
328	T	87.2	Confident	83.2	Confident	31 Å²	31	55.4 Å²	55.4	19%	0.19	33%	0.328	C	S	.	.			trans	-106.1	159.4	175.6	45.8	0	0	0	0	111.5	D323 N325 R426	D323-T328 PolarHBondContact OD1-OG1 2.85Å; D323-T328 WeakPolarHBondContact OD2-CB 3.43Å; D323-T328 PolarHBondContact OD2-OG1 3.38Å; N325-T328 WeakPolarHBondContact CB-OG1 3.42Å; T328-R426 WeakPolarHBondContact O-CG 3.46Å
329	Y	93.1	Very high	83.3	Confident	37 Å²	37	53.6 Å²	53.6	15%	0.145	32%	0.317	C	S	.	.			trans	-149.2	155.2	176.3	46.7	-90.7	0	0	0	110.8	F316 C320 E331 R424 L425	F316-Y329 HydrophobicContact CB-CD2 3.99Å; F316-Y329 HydrophobicContact CB-CE2 4.02Å; F316-Y329 WeakPolarHBondContact CB-O 3.39Å; F316-Y329 HydrophobicContact CD1-CD1 4.44Å; F316-Y329 AromaticContact CD1-CD2 3.69Å; F316-Y329 HydrophobicContact CD1-CD2 3.69Å; F316-Y329 HydrophobicContact CD1-CE1 4.2Å; F316-Y329 AromaticContact CD1-CE2 3.42Å; F316-Y329 HydrophobicContact CD1-CE2 3.42Å; F316-Y329 VanDerWaalsContact CD1-CE2 3.42Å; F316-Y329 HydrophobicContact CD1-CG 4.22Å; F316-Y329 AromaticContact CD1-CZ 3.7Å; F316-Y329 AromaticContact CD2-CE2 3.81Å; F316-Y329 HydrophobicContact CD2-CE2 3.81Å; F316-Y329 HydrophobicContact CE1-CD2 4.39Å; F316-Y329 AromaticContact CE1-CE1 3.96Å; F316-Y329 HydrophobicContact CE1-CE1 3.96Å; F316-Y329 AromaticContact CE1-CE2 3.8Å; F316-Y329 HydrophobicContact CE1-CE2 3.8Å; F316-Y329 AromaticContact CE1-CZ 3.55Å; F316-Y329 HydrophobicContact CE2-CE2 4.16Å; F316-Y329 AromaticContact CG-CD2 3.83Å; F316-Y329 HydrophobicContact CG-CD2 3.83Å; F316-Y329 AromaticContact CG-CE2 3.43Å; F316-Y329 HydrophobicContact CG-CE2 3.43Å; F316-Y329 VanDerWaalsContact CG-CE2 3.43Å; F316-Y329 HydrophobicContact CZ-CE2 4.16Å; F316-Y329 AromaticContact CZ-CZ 3.82Å; F316-Y329 WeakPolarHBondContact CZ-OH 3.22Å; C320-Y329 WeakPolarHBondContact CB-O 3.42Å; Y329-E331 HydrophobicContact CD2-CB 4Å; Y329-E331 HydrophobicContact CE2-CB 4.08Å; Y329-R424 HydrophobicContact CD2-CB 4.36Å; Y329-R424 HydrophobicContact CD2-CG 3.68Å; Y329-R424 HydrophobicContact CE2-CG 4.05Å; Y329-R424 HydrophobicContact CG-CB 4.49Å; Y329-R424 HydrophobicContact CG-CG 4.23Å; Y329-L425 CarbonylContact C-O 3.5Å; Y329-L425 WeakPolarHBondContact CA-O 3.42Å
330	W	94.5	Very high	83.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.6	153	164.9	60.6	0	0	0	108.5	V309 S311 F316 L321 H339 V341 I413 V423 R424 L425	V309-W330 HydrophobicContact CB-CZ2 3.93Å; V309-W330 HydrophobicContact CG1-CZ2 4.3Å; S311-W330 WeakPolarHBondContact O-CZ2 3.27Å; S311-W330 PolarHBondContact O-NE1 2.99Å; F316-W330 WeakPolarHBondContact O-CA 3.49Å; L321-W330 HydrophobicContact CD1-CB 4.42Å; L321-W330 HydrophobicContact CD2-CB 3.47Å; L321-W330 VanDerWaalsContact CD2-CB 3.47Å; L321-W330 HydrophobicContact CD2-CD2 4.44Å; L321-W330 HydrophobicContact CD2-CE3 4.23Å; L321-W330 HydrophobicContact CD2-CG 4.21Å; L321-W330 HydrophobicContact CG-CB 3.72Å; L321-W330 HydrophobicContact CG-CG 4.31Å; W330-H339 HydrophobicContact CH2-CB 4.45Å; W330-V341 HydrophobicContact CE3-CG2 4.2Å; W330-V341 HydrophobicContact CH2-CG2 4.15Å; W330-V341 HydrophobicContact CZ3-CG2 3.8Å; W330-I413 HydrophobicContact CH2-CD1 4.47Å; W330-I413 HydrophobicContact CZ3-CD1 4.25Å; W330-V423 HydrophobicContact CH2-CG1 3.86Å; W330-V423 HydrophobicContact CZ3-CG1 3.73Å; W330-R424 VanDerWaalsContact O-CA 3.27Å; W330-R424 WeakPolarHBondContact O-CA 3.44Å; W330-L425 HydrophobicContact CE3-CB 4.07Å; W330-L425 HydrophobicContact CE3-CD1 3.85Å; W330-L425 HydrophobicContact CE3-CG 4.06Å; W330-L425 HydrophobicContact CZ3-CD1 3.76Å; W330-L425 HydrophobicContact CZ3-CG 4.21Å; W330-L425 PolarHBondContact N-O 2.95Å; W330-L425 PolarHBondContact O-N 3.18Å
331	E	94.4	Very high	84	Confident	27 Å²	27	54.2 Å²	54.2	13%	0.126	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133	171.5	-174.1	172.4	74.7	0	0	109.2	Y312 T313 F316 Y329 V423 R424	Y312-E331 VanDerWaalsContact CA-O 3.3Å; Y312-E331 WeakPolarHBondContact CA-O 3.29Å; T313-E331 PolarHBondContact N-O 3.29Å; F316-E331 HydrophobicContact CB-CB 3.73Å; F316-E331 HydrophobicContact CG-CB 4.46Å; F316-E331 PolarHBondContact O-N 3.21Å; Y329-E331 HydrophobicContact CD2-CB 4Å; Y329-E331 HydrophobicContact CE2-CB 4.08Å; E331-V423 WeakPolarHBondContact CA-O 3.38Å; E331-R424 HydrophobicContact CB-CG 4.32Å; E331-R424 HydrophobicContact CG-CG 4.25Å; E331-R424 IonicContact OE2-CZ 2.73Å; E331-R424 IonicContact OE2-NE 2.63Å; E331-R424 PolarHBondContact OE2-NE 3.35Å; E331-R424 IonicContact OE2-NH2 3.53Å; E331-R424 PolarHBondContact OE2-NH2 2.75Å
332	S	93.4	Very high	84.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.021	32%	0.321	C	S	.	.			trans	-76.9	154.9	171.2	68.2	0	0	0	0	112.2	H339 D422 V423	S332-H339 WeakPolarHBondContact CB-ND1 3.43Å; S332-H339 PolarHBondContact OG-CE1 3.35Å; S332-H339 PolarHBondContact OG-NE2 3.19Å; S332-D422 VanDerWaalsContact O-OD1 3.13Å; S332-D422 VanDerWaalsContact OG-CA 3.28Å; S332-D422 WeakPolarHBondContact OG-CA 3.5Å; S332-D422 VanDerWaalsContact OG-CB 3.23Å; S332-D422 WeakPolarHBondContact OG-CB 3.24Å; S332-D422 PolarHBondContact OG-OD1 3Å; S332-V423 PolarHBondContact N-O 2.86Å; S332-V423 PolarHBondContact OG-N 3.44Å
333	D	87.8	Confident	84.8	Confident	109 Å²	109	56.8 Å²	56.8	58%	0.583	32%	0.319	S	S	*	.			trans	-129	95.2	165.3	173.8	11.6	0	0	0	107.3	S311 T313	S311-D333 WeakPolarHBondContact CB-O 3.34Å; S311-D333 PolarHBondContact OG-N 3.42Å; S311-D333 VanDerWaalsContact OG-N 3.1Å; S311-D333 PolarHBondContact OG-O 3.22Å; T313-D333 HydrophobicContact CG2-CB 4.17Å
334	G	80.3	Confident	85.5	Confident	29 Å²	29	55.1 Å²	55.1	30%	0.299	31%	0.311	S	S	.	.	S	Bend	trans	-172	-174.3	-171.6	0	0	0	0	0	117.6	I421 D422	G334-I421 WeakPolarHBondContact O-CG2 3.49Å; G334-D422 PolarHBondContact N-OD1 3.45Å
335	S	78.9	Confident	86.5	Confident	73 Å²	73	50.7 Å²	50.7	51%	0.51	28%	0.279	S	S	.	.			trans	-79.1	137.2	177.7	-68.1	0	0	0	0	111.5	Q338	S335-Q338 WeakPolarHBondContact O-CB 3.37Å; S335-Q338 PolarHBondContact O-N 3.42Å; S335-Q338 VanDerWaalsContact O-N 3.11Å
336	Q	76.4	Confident	87.2	Confident	92 Å²	92	50.9 Å²	50.9	43%	0.43	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	138.7	178.3	-171.2	174.7	46.2	0	0	112.8	Q338 D419 G420 I421	Q336-Q338 PolarHBondContact O-N 2.87Å; Q336-D419 PolarHBondContact NE2-O 3.01Å; Q336-G420 PolarHBondContact NE2-O 3.43Å; Q336-I421 HydrophobicContact CB-CG2 4.36Å
337	C	66.9	Low	87.7	Confident	81 Å²	81	57.2 Å²	57.2	55%	0.547	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	12.9	-177.2	-53.5	0	0	0	0	116.2	V414	C337-V414 PolarHBondContact SG-O 3.14Å
338	Q	81.8	Confident	87.5	Confident	131 Å²	131	52.3 Å²	52.3	61%	0.612	27%	0.274	S	S	*	.			trans	-105.7	7.8	178.4	-55.1	-170.6	23.8	0	0	114.1	S335 Q336 W340	S335-Q338 WeakPolarHBondContact O-CB 3.37Å; S335-Q338 PolarHBondContact O-N 3.42Å; S335-Q338 VanDerWaalsContact O-N 3.11Å; Q336-Q338 PolarHBondContact O-N 2.87Å; Q338-W340 VanDerWaalsContact O-CD1 3.25Å
339	H	93.3	Very high	87.2	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.019	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135.7	-171.7	-55.6	-48.7	0	0	0	113.2	S310 W330 S332 I413 I421 D422 V423	S310-H339 WeakPolarHBondContact OG-CA 3.29Å; W330-H339 HydrophobicContact CH2-CB 4.45Å; S332-H339 WeakPolarHBondContact CB-ND1 3.43Å; S332-H339 PolarHBondContact OG-CE1 3.35Å; S332-H339 PolarHBondContact OG-NE2 3.19Å; H339-I413 HydrophobicContact CB-CB 4.26Å; H339-I413 HydrophobicContact CB-CD1 4.27Å; H339-I413 PolarHBondContact O-N 3.43Å; H339-I421 PolarHBondContact CD2-O 3.28Å; H339-I421 PolarHBondContact NE2-O 2.96Å; H339-D422 IonicContact CE1-OD1 3.39Å; H339-D422 PolarHBondContact CE1-OD1 2.92Å; H339-D422 IonicContact NE2-OD1 3.54Å; H339-V423 HydrophobicContact CB-CG1 3.78Å
340	W	95.1	Very high	86.8	Confident	75 Å²	75	50.4 Å²	50.4	28%	0.284	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.1	179.8	55.2	-95.7	0	0	0	113.6	D308 V309 S310 Q338 R342 E410 I411 R412	D308-W340 HydrophobicContact CB-CZ3 4.09Å; V309-W340 WeakPolarHBondContact CA-O 3.32Å; S310-W340 PolarHBondContact N-O 2.99Å; S310-W340 PolarHBondContact OG-N 2.76Å; Q338-W340 VanDerWaalsContact O-CD1 3.25Å; W340-R342 HydrophobicContact CE3-CB 3.69Å; W340-R342 HydrophobicContact CZ3-CB 3.57Å; W340-E410 HydrophobicContact CB-CG 4.35Å; W340-I411 CarbonylContact C-O 3.36Å; W340-I411 WeakPolarHBondContact CA-O 3.19Å; W340-I411 WeakPolarHBondContact CB-O 3.37Å; W340-R412 HydrophobicContact CB-CG 4.24Å
341	V	96.5	Very high	86.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.9	168.1	-175	0	0	0	0	108	I307 D308 V309 L321 W330 L343 I411 L425 V428	I307-V341 HydrophobicContact CG2-CG1 4.06Å; D308-V341 CarbonylContact O-C 3.54Å; V309-V341 HydrophobicContact CG1-CB 4.48Å; V309-V341 HydrophobicContact CG1-CG1 4.22Å; V309-V341 HydrophobicContact CG1-CG2 4.15Å; L321-V341 HydrophobicContact CD1-CG1 3.83Å; L321-V341 HydrophobicContact CD1-CG2 4.04Å; W330-V341 HydrophobicContact CE3-CG2 4.2Å; W330-V341 HydrophobicContact CH2-CG2 4.15Å; W330-V341 HydrophobicContact CZ3-CG2 3.8Å; V341-L343 HydrophobicContact CG1-CD2 4.26Å; V341-I411 HydrophobicContact CB-CB 4.38Å; V341-I411 PolarHBondContact N-O 3.03Å; V341-I411 PolarHBondContact O-N 3.45Å; V341-L425 HydrophobicContact CG2-CD1 4.1Å; V341-V428 HydrophobicContact CG1-CG2 4.49Å
342	R	96.1	Very high	85.8	Confident	65 Å²	65	49.9 Å²	49.9	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.5	179.3	-175.6	-176.5	-76.7	-161.2	-3.7	109.6	I307 D308 W340 I408 I409 E410	I307-R342 WeakPolarHBondContact CA-O 3.21Å; D308-R342 HydrophobicContact CB-CB 4.38Å; D308-R342 PolarHBondContact N-O 2.79Å; D308-R342 PolarHBondContact O-N 3Å; W340-R342 HydrophobicContact CE3-CB 3.69Å; W340-R342 HydrophobicContact CZ3-CB 3.57Å; R342-I408 HydrophobicContact CG-CG2 3.89Å; R342-I409 WeakPolarHBondContact CA-O 3.49Å; R342-E410 HydrophobicContact CB-CG 4.41Å; R342-E410 IonicContact CZ-OE2 3.85Å; R342-E410 IonicContact NE-OE2 3.93Å; R342-E410 PolarHBondContact NE-OE2 2.93Å; R342-E410 IonicContact NH2-OE2 2.62Å; R342-E410 PolarHBondContact NH2-OE2 2.83Å
343	L	95.9	Very high	85.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.2	179.9	-55.3	179.4	0	0	0	108.6	V300 V304 I307 V341 M345 L354 I409 I411 V428	V300-L343 HydrophobicContact CG2-CD1 4.21Å; V300-L343 HydrophobicContact CG2-CD2 4.24Å; V304-L343 HydrophobicContact CG1-CB 4.06Å; V304-L343 HydrophobicContact CG1-CD2 4.39Å; I307-L343 HydrophobicContact CB-CD2 4.45Å; I307-L343 HydrophobicContact CG1-CD2 4.05Å; I307-L343 HydrophobicContact CG2-CD2 4.01Å; V341-L343 HydrophobicContact CG1-CD2 4.26Å; L343-M345 HydrophobicContact CB-SD 3.77Å; L343-M345 HydrophobicContact CD1-SD 4.45Å; L343-M345 PolarHBondContact O-N 3.5Å; L343-L354 HydrophobicContact CD1-CD1 3.91Å; L343-L354 HydrophobicContact CD1-CD2 4.41Å; L343-I409 HydrophobicContact CB-CB 4.47Å; L343-I409 PolarHBondContact N-O 2.84Å; L343-I409 PolarHBondContact O-N 2.95Å; L343-I411 HydrophobicContact CD1-CD1 4.46Å; L343-V428 HydrophobicContact CD1-CG1 4.36Å
344	T	95.3	Very high	85.7	Confident	34 Å²	34	46.3 Å²	46.3	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.2	168.8	-56.7	0	0	0	0	107.7	V304 E305 S306 I408	V304-T344 CarbonylContact C-O 3.48Å; V304-T344 VanDerWaalsContact CA-O 3.23Å; V304-T344 WeakPolarHBondContact CA-O 3.47Å; V304-T344 VanDerWaalsContact CB-O 3.3Å; V304-T344 WeakPolarHBondContact CB-O 3.49Å; E305-T344 HydrophobicContact CB-CG2 4.17Å; E305-T344 PolarHBondContact N-O 2.89Å; S306-T344 PolarHBondContact O-N 2.92Å; S306-T344 VanDerWaalsContact O-N 3.16Å; S306-T344 VanDerWaalsContact OG-CB 3.23Å; S306-T344 WeakPolarHBondContact OG-CB 3.4Å; S306-T344 PolarHBondContact OG-OG1 3.39Å; T344-I408 HydrophobicContact CG2-CD1 4.18Å
345	M	91.8	Very high	86.3	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.6	-167.9	-59.5	-58	-55.8	0	0	111.8	V304 L343 K347 T349 V351 L406 P407 I409 I430	V304-M345 HydrophobicContact CG1-CE 4.26Å; V304-M345 HydrophobicContact CG1-SD 3.8Å; L343-M345 HydrophobicContact CB-SD 3.77Å; L343-M345 HydrophobicContact CD1-SD 4.45Å; L343-M345 PolarHBondContact O-N 3.5Å; M345-K347 PolarHBondContact O-N 3.05Å; M345-T349 HydrophobicContact CE-CG2 3.63Å; M345-V351 HydrophobicContact CE-CG2 4.04Å; M345-L406 WeakPolarHBondContact CB-O 3.41Å; M345-L406 WeakPolarHBondContact CG-O 3.35Å; M345-P407 PolarHBondContact N-O 3.38Å; M345-I409 HydrophobicContact CG-CD1 4.01Å; M345-I409 HydrophobicContact CG-CG1 4.04Å; M345-I409 HydrophobicContact SD-CD1 4.04Å; M345-I409 HydrophobicContact SD-CG1 4.42Å; M345-I430 HydrophobicContact CE-CD1 3.74Å
346	K	86.8	Confident	86.9	Confident	74 Å²	74	42.4 Å²	42.4	32%	0.322	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-56.8	135.4	174	-75.4	175.7	174.5	115.1	0	110.7	K301 Q302 Y303 V304 E305 G348 T349 H405	K301-K346 PolarHBondContact O-NZ 3Å; Q302-K346 WeakPolarHBondContact O-CD 3.36Å; Q302-K346 PolarHBondContact O-NZ 2.82Å; Y303-K346 VanDerWaalsContact O-CB 3.28Å; Y303-K346 WeakPolarHBondContact O-CB 3.34Å; Y303-K346 PolarHBondContact O-N 3.44Å; V304-K346 WeakPolarHBondContact O-CE 3.38Å; V304-K346 PolarHBondContact O-NZ 3.09Å; E305-K346 HydrophobicContact CG-CB 4.28Å; E305-K346 HydrophobicContact CG-CG 3.47Å; E305-K346 VanDerWaalsContact CG-CG 3.47Å; E305-K346 WeakPolarHBondContact OE1-CA 3.27Å; K346-G348 PolarHBondContact O-N 3.28Å; K346-T349 VanDerWaalsContact O-CB 3.24Å; K346-T349 WeakPolarHBondContact O-CB 3.29Å; K346-T349 PolarHBondContact O-N 3.41Å; K346-T349 PolarHBondContact O-OG1 2.91Å; K346-H405 PolarHBondContact O-CE1 2.69Å
347	K	80.3	Confident	87.6	Confident	195 Å²	195	38.7 Å²	38.7	85%	0.848	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	122.4	-175.5	-174.4	173.9	-178.5	174.3	0	112.6	M345	M345-K347 PolarHBondContact O-N 3.05Å
348	G	71.6	Confident	88.7	Confident	32 Å²	32	34.9 Å²	34.9	33%	0.33	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-0.1	178.3	0	0	0	0	0	115.2	K346 I350 H405	K346-G348 PolarHBondContact O-N 3.28Å; G348-I350 PolarHBondContact O-N 3.38Å; G348-H405 PolarHBondContact N-ND1 3.2Å
349	T	81.6	Confident	89	Confident	13 Å²	13	29.6 Å²	29.6	8%	0.08	14%	0.142	C	C	.	.			trans	-69.5	120.2	168.1	-59.7	0	0	0	0	110.2	M345 K346 H405	M345-T349 HydrophobicContact CE-CG2 3.63Å; K346-T349 VanDerWaalsContact O-CB 3.24Å; K346-T349 WeakPolarHBondContact O-CB 3.29Å; K346-T349 PolarHBondContact O-N 3.41Å; K346-T349 PolarHBondContact O-OG1 2.91Å; T349-H405 PolarHBondContact N-ND1 3.42Å; T349-H405 PolarHBondContact O-ND1 2.71Å
350	I	83.3	Confident	88.6	Confident	15 Å²	15	31.1 Å²	31.1	8%	0.077	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124	172.9	-56.3	-179.6	0	0	0	108.4	G348 K352 M402 H405 S432 S433 R436	G348-I350 PolarHBondContact O-N 3.38Å; I350-K352 PolarHBondContact O-N 3.46Å; I350-M402 HydrophobicContact CG2-CB 4.38Å; I350-M402 WeakPolarHBondContact CG2-O 3.28Å; I350-H405 HydrophobicContact CG1-CB 4.43Å; I350-S432 CarbonylContact O-C 3.5Å; I350-S432 WeakPolarHBondContact O-CA 3.47Å; I350-S432 VanDerWaalsContact O-CB 3.23Å; I350-S432 WeakPolarHBondContact O-CB 3.28Å; I350-S433 PolarHBondContact N-O 2.87Å; I350-S433 PolarHBondContact O-N 3.15Å; I350-R436 HydrophobicContact CD1-CB 4.19Å
351	V	86.8	Confident	88.1	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.4	-174.7	-176.2	0	0	0	0	111.4	M345 L354 M402 I409 I430	M345-V351 HydrophobicContact CE-CG2 4.04Å; V351-L354 HydrophobicContact CG1-CB 3.97Å; V351-M402 HydrophobicContact CB-CB 4.39Å; V351-M402 HydrophobicContact CB-CG 4.25Å; V351-M402 WeakPolarHBondContact O-CB 3.38Å; V351-M402 PolarHBondContact O-N 3.16Å; V351-I409 HydrophobicContact CG2-CD1 3.47Å; V351-I409 VanDerWaalsContact CG2-CD1 3.47Å; V351-I430 HydrophobicContact CG1-CD1 4.2Å; V351-I430 HydrophobicContact CG1-CG1 4.18Å; V351-I430 HydrophobicContact CG2-CD1 4.02Å
352	K	82.8	Confident	87.7	Confident	13 Å²	13	32.5 Å²	32.5	6%	0.057	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-46.7	175.9	-69.7	-72.5	153.1	-158.9	0	112	I350 E400 D401 M402 K431 S433 E437	I350-K352 PolarHBondContact O-N 3.46Å; K352-E400 CarbonylContact O-C 3.54Å; K352-E400 WeakPolarHBondContact O-CA 3.43Å; K352-E400 WeakPolarHBondContact O-CB 3.25Å; K352-D401 PolarHBondContact O-N 3.4Å; K352-M402 PolarHBondContact NZ-O 3.12Å; K352-K431 HydrophobicContact CB-CB 4.11Å; K352-K431 HydrophobicContact CB-CD 4.4Å; K352-K431 HydrophobicContact CB-CG 4.11Å; K352-K431 WeakPolarHBondContact CB-O 3.29Å; K352-K431 PolarHBondContact N-O 2.98Å; K352-S433 WeakPolarHBondContact CE-OG 3.41Å; K352-E437 VanDerWaalsContact CD-OE1 3.27Å; K352-E437 WeakPolarHBondContact CD-OE1 3.35Å; K352-E437 WeakPolarHBondContact CD-OE2 3.37Å; K352-E437 WeakPolarHBondContact CE-OE1 3.26Å; K352-E437 VanDerWaalsContact CE-OE2 3.31Å; K352-E437 WeakPolarHBondContact CE-OE2 3.5Å; K352-E437 IonicContact NZ-OE1 3.84Å; K352-E437 PolarHBondContact NZ-OE1 2.7Å; K352-E437 IonicContact NZ-OE2 2.89Å; K352-E437 PolarHBondContact NZ-OE2 3.46Å
353	K	87.1	Confident	87.5	Confident	37 Å²	37	33.3 Å²	33.3	16%	0.161	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.2	168.9	-66.7	180	175.6	146.4	0	108.5	E293 L355 L399 E400 I430 K431	E293-K353 IonicContact OE1-NZ 3.04Å; E293-K353 IonicContact OE2-NZ 2.64Å; E293-K353 PolarHBondContact OE2-NZ 3.38Å; K353-L355 HydrophobicContact CB-CD1 3.75Å; K353-L399 CarbonylContact C-O 3.57Å; K353-L399 WeakPolarHBondContact CA-O 3.04Å; K353-E400 HydrophobicContact CG-CB 4.08Å; K353-I430 CarbonylContact O-C 3.6Å; K353-I430 WeakPolarHBondContact O-CA 3.49Å; K353-I430 WeakPolarHBondContact O-CG1 3.22Å; K353-K431 HydrophobicContact CB-CB 4.16Å; K353-K431 PolarHBondContact N-O 2.7Å; K353-K431 PolarHBondContact O-N 3.4Å
354	L	91.8	Very high	87.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.3	171	175.5	63.8	0	0	0	106.2	L343 V351 V398 L399 I409 I411 V428 I430	L343-L354 HydrophobicContact CD1-CD1 3.91Å; L343-L354 HydrophobicContact CD1-CD2 4.41Å; V351-L354 HydrophobicContact CG1-CB 3.97Å; L354-V398 HydrophobicContact CB-CG2 4.47Å; L354-V398 HydrophobicContact CD2-CG2 4.23Å; L354-V398 HydrophobicContact CG-CG2 3.97Å; L354-V398 WeakPolarHBondContact O-CG2 3.49Å; L354-V398 PolarHBondContact O-N 3.22Å; L354-L399 HydrophobicContact CB-CB 4.12Å; L354-L399 HydrophobicContact CD2-CB 4.24Å; L354-L399 PolarHBondContact N-O 3.38Å; L354-L399 PolarHBondContact O-N 2.86Å; L354-I409 HydrophobicContact CD2-CG2 3.99Å; L354-I411 HydrophobicContact CD1-CD1 4.37Å; L354-I411 HydrophobicContact CD2-CD1 3.88Å; L354-I411 HydrophobicContact CD2-CG1 4.16Å; L354-I411 HydrophobicContact CG-CD1 4.28Å; L354-V428 HydrophobicContact CD1-CG1 3.74Å; L354-I430 HydrophobicContact CD1-CB 4.42Å; L354-I430 HydrophobicContact CD1-CD1 4.3Å; L354-I430 HydrophobicContact CD1-CG1 4.32Å
355	L	91.3	Very high	87.1	Confident	19 Å²	19	37.2 Å²	37.2	10%	0.099	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.7	-174.4	-51.9	89	0	0	0	110.6	L297 K353 D395 V396 C397 V428 K429	L297-L355 HydrophobicContact CD1-CD1 3.92Å; L297-L355 HydrophobicContact CD1-CD2 4.31Å; L297-L355 HydrophobicContact CD2-CD1 3.67Å; L297-L355 HydrophobicContact CG-CD1 4.47Å; K353-L355 HydrophobicContact CB-CD1 3.75Å; L355-D395 HydrophobicContact CB-CB 4.24Å; L355-D395 HydrophobicContact CD2-CB 3.83Å; L355-V396 CarbonylContact C-O 3.6Å; L355-V396 WeakPolarHBondContact CA-O 3.15Å; L355-C397 HydrophobicContact CD2-CB 4.35Å; L355-C397 HydrophobicContact CG-CB 4.22Å; L355-V428 WeakPolarHBondContact O-CA 3.43Å; L355-K429 HydrophobicContact CB-CB 4.4Å; L355-K429 PolarHBondContact N-O 3.17Å; L355-K429 PolarHBondContact O-N 2.91Å
356	L	92.7	Very high	87.2	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.1	169.6	-60	-176.4	0	0	0	109.2	V370 D395 V396 V398 I411 L425 G427 V428	L356-V370 HydrophobicContact CD1-CG1 4.13Å; L356-V370 HydrophobicContact CD1-CG2 4.03Å; L356-D395 CarbonylContact O-C 3.46Å; L356-D395 WeakPolarHBondContact O-CA 3.29Å; L356-V396 HydrophobicContact CB-CG1 4.07Å; L356-V396 PolarHBondContact N-O 3.41Å; L356-V396 PolarHBondContact O-N 2.87Å; L356-V398 HydrophobicContact CD1-CG1 3.91Å; L356-V398 HydrophobicContact CG-CG1 3.96Å; L356-V398 HydrophobicContact CG-CG2 4.08Å; L356-I411 HydrophobicContact CD1-CG2 4Å; L356-I411 HydrophobicContact CD2-CD1 3.94Å; L356-I411 HydrophobicContact CD2-CG2 4.41Å; L356-L425 HydrophobicContact CB-CD2 4.26Å; L356-L425 HydrophobicContact CD1-CD1 4.35Å; L356-L425 HydrophobicContact CD1-CD2 4.05Å; L356-L425 HydrophobicContact CD2-CD1 4.24Å; L356-G427 WeakPolarHBondContact CA-O 3.37Å; L356-V428 HydrophobicContact CD2-CG2 3.84Å
357	T	90.1	Very high	87.5	Confident	15 Å²	15	33.6 Å²	33.6	9%	0.092	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.1	170.3	-47.7	0	0	0	0	109.4	G394 D395 R426 G427 K429	T357-G394 WeakPolarHBondContact CA-O 3.21Å; T357-D395 WeakPolarHBondContact CB-OD1 3.47Å; T357-D395 PolarHBondContact OG1-OD1 3.07Å; T357-R426 HydrophobicContact CG2-CB 3.94Å; T357-R426 PolarHBondContact O-N 3.46Å; T357-G427 PolarHBondContact N-O 2.67Å; T357-K429 WeakPolarHBondContact OG1-CE 3.28Å; T357-K429 PolarHBondContact OG1-NZ 2.82Å; T357-K429 VanDerWaalsContact OG1-NZ 3.13Å
358	V	91.5	Very high	88.1	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.7	-177.8	-59.8	0	0	0	0	110.6	M366 P367 I388 L392 G394 V396 L425	V358-M366 HydrophobicContact CB-CE 4.35Å; V358-M366 HydrophobicContact CG2-CE 4Å; V358-P367 HydrophobicContact CG1-CG 3.82Å; V358-I388 HydrophobicContact CG2-CG2 4.15Å; V358-L392 HydrophobicContact CG2-CB 4.39Å; V358-L392 HydrophobicContact CG2-CD2 3.77Å; V358-L392 HydrophobicContact CG2-CG 4.04Å; V358-G394 PolarHBondContact N-O 3.28Å; V358-G394 PolarHBondContact O-N 2.96Å; V358-V396 HydrophobicContact CG1-CG1 4.41Å; V358-V396 HydrophobicContact CG2-CG1 4.38Å; V358-L425 HydrophobicContact CG1-CD2 4.01Å
359	D	86.6	Confident	89.2	Confident	20 Å²	20	29.4 Å²	29.4	11%	0.107	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	128.2	-179.4	-167.2	-42.6	0	0	0	110.5	T361 D362 L392 I393 R426	D359-T361 PolarHBondContact O-N 3.04Å; D359-T361 VanDerWaalsContact O-N 3.12Å; D359-T361 VanDerWaalsContact OD1-CB 3.29Å; D359-T361 WeakPolarHBondContact OD1-CB 3.35Å; D359-T361 WeakPolarHBondContact OD1-CG2 3.48Å; D359-T361 PolarHBondContact OD1-N 3.4Å; D359-T361 PolarHBondContact OD1-OG1 3.32Å; D359-T361 PolarHBondContact OD2-OG1 2.85Å; D359-D362 WeakPolarHBondContact O-CB 3.45Å; D359-D362 PolarHBondContact O-N 3.45Å; D359-L392 CarbonylContact C-O 3.46Å; D359-I393 HydrophobicContact CB-CG2 4.44Å; D359-R426 IonicContact OD2-CZ 3.65Å; D359-R426 IonicContact OD2-NH1 2.58Å
360	T	84.8	Confident	89.8	Confident	35 Å²	35	28.8 Å²	28.8	22%	0.215	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-60.9	-16.7	175.4	177.5	0	0	0	0	113.7	D362 D363 E390 L392 I393 R417	T360-D362 PolarHBondContact O-N 2.9Å; T360-D363 PolarHBondContact O-N 3.44Å; T360-E390 WeakPolarHBondContact CB-O 3.47Å; T360-E390 PolarHBondContact OG1-O 3.31Å; T360-E390 VanDerWaalsContact OG1-O 3.09Å; T360-L392 PolarHBondContact N-O 3.07Å; T360-I393 HydrophobicContact CG2-CD1 3.99Å; T360-I393 HydrophobicContact CG2-CG1 3.75Å; T360-R417 PolarHBondContact OG1-NH1 2.77Å
361	T	85.2	Confident	90.4	Very high	99 Å²	99	28.2 Å²	28.2	61%	0.607	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-74	-10.5	174.2	63.8	0	0	0	0	113.5	D359 D363	D359-T361 PolarHBondContact O-N 3.04Å; D359-T361 VanDerWaalsContact O-N 3.12Å; D359-T361 VanDerWaalsContact OD1-CB 3.29Å; D359-T361 WeakPolarHBondContact OD1-CB 3.35Å; D359-T361 WeakPolarHBondContact OD1-CG2 3.48Å; D359-T361 PolarHBondContact OD1-N 3.4Å; D359-T361 PolarHBondContact OD1-OG1 3.32Å; D359-T361 PolarHBondContact OD2-OG1 2.85Å; T361-D363 PolarHBondContact O-N 2.73Å
362	D	88.6	Confident	90.9	Very high	5 Å²	5	28 Å²	28	3%	0.027	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-77.4	-3.3	168.3	-64.8	-41.9	0	0	0	112.9	D359 T360 N364 F365 R424 R426	D359-D362 WeakPolarHBondContact O-CB 3.45Å; D359-D362 PolarHBondContact O-N 3.45Å; T360-D362 PolarHBondContact O-N 2.9Å; D362-N364 PolarHBondContact O-N 2.78Å; D362-F365 HydrophobicContact CB-CB 4.38Å; D362-F365 WeakPolarHBondContact O-CB 3.43Å; D362-F365 PolarHBondContact O-N 3.44Å; D362-R424 HydrophobicContact CB-CB 4.24Å; D362-R424 WeakPolarHBondContact OD1-CD 3.46Å; D362-R424 IonicContact OD1-NH1 3.8Å; D362-R426 VanDerWaalsContact CG-NH2 3.34Å; D362-R426 IonicContact OD1-CZ 3.28Å; D362-R426 IonicContact OD1-NE 2.7Å; D362-R426 IonicContact OD1-NH2 2.89Å; D362-R426 PolarHBondContact OD1-NH2 3.07Å; D362-R426 IonicContact OD2-CZ 2.69Å; D362-R426 IonicContact OD2-NE 3.17Å; D362-R426 PolarHBondContact OD2-NE 3.1Å; D362-R426 IonicContact OD2-NH2 2.84Å; D362-R426 PolarHBondContact OD2-NH2 2.81Å
363	D	90.8	Very high	91.6	Very high	82 Å²	82	30.1 Å²	30.1	44%	0.439	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	49.1	-118.8	173.6	-162.2	36.4	0	0	0	113.2	T360 T361 F365 M366 R417	T360-D363 PolarHBondContact O-N 3.44Å; T361-D363 PolarHBondContact O-N 2.73Å; D363-F365 PolarHBondContact O-N 3.21Å; D363-M366 WeakPolarHBondContact O-CB 3.38Å; D363-M366 PolarHBondContact O-N 3.35Å; D363-R417 WeakPolarHBondContact O-CD 3.43Å; D363-R417 IonicContact OD1-CZ 3.23Å; D363-R417 IonicContact OD1-NE 2.72Å; D363-R417 IonicContact OD1-NH2 3.09Å; D363-R417 PolarHBondContact OD1-NH2 2.84Å
364	N	91.8	Very high	91.9	Very high	62 Å²	62	28.5 Å²	28.5	33%	0.332	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-71.5	-11.9	-179.8	72.9	-29.9	0	0	0	114.4	D362 M366 R417 D418 G420	D362-N364 PolarHBondContact O-N 2.78Å; N364-M366 VanDerWaalsContact C-N 3.27Å; N364-R417 WeakPolarHBondContact CA-O 3.5Å; N364-D418 HydrophobicContact CB-CB 4.41Å; N364-G420 WeakPolarHBondContact O-CA 3.46Å
365	F	92.3	Very high	91.8	Very high	55 Å²	55	29 Å²	29	24%	0.241	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-80.9	-7.4	169.3	-62.2	-103	0	0	0	112.3	D362 D363 D422 V423 R424	D362-F365 HydrophobicContact CB-CB 4.38Å; D362-F365 WeakPolarHBondContact O-CB 3.43Å; D362-F365 PolarHBondContact O-N 3.44Å; D363-F365 PolarHBondContact O-N 3.21Å; F365-D422 HydrophobicContact CD1-CB 3.96Å; F365-D422 HydrophobicContact CE1-CB 3.91Å; F365-V423 CarbonylContact O-C 3.57Å; F365-V423 WeakPolarHBondContact O-CA 3.25Å; F365-R424 HydrophobicContact CB-CB 4.09Å; F365-R424 HydrophobicContact CB-CG 3.81Å; F365-R424 HydrophobicContact CD1-CG 4.18Å; F365-R424 HydrophobicContact CG-CG 4.23Å; F365-R424 PolarHBondContact O-N 3.09Å
366	M	92.9	Very high	91.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	-68.1	128.4	178.5	-169.4	-171	-169.7	0	0	110.5	V358 D363 N364 K368 I388 D389 L392 C416 R417	V358-M366 HydrophobicContact CB-CE 4.35Å; V358-M366 HydrophobicContact CG2-CE 4Å; D363-M366 WeakPolarHBondContact O-CB 3.38Å; D363-M366 PolarHBondContact O-N 3.35Å; N364-M366 VanDerWaalsContact C-N 3.27Å; M366-K368 PolarHBondContact O-N 3.42Å; M366-I388 HydrophobicContact CE-CG2 4.2Å; M366-D389 VanDerWaalsContact CE-O 3.25Å; M366-D389 WeakPolarHBondContact CE-O 3.36Å; M366-L392 HydrophobicContact CE-CB 4.04Å; M366-L392 VanDerWaalsContact CE-O 3.28Å; M366-L392 WeakPolarHBondContact CE-O 3.01Å; M366-C416 CarbonylContact O-C 3.56Å; M366-C416 WeakPolarHBondContact O-CA 3.37Å; M366-R417 HydrophobicContact CB-CB 4.15Å; M366-R417 PolarHBondContact O-N 3.1Å
367	P	93.9	Very high	90.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.3	174.3	11.4	-6.1	0	0	0	110.5	V358 V370 I388 I413 V423 R424 L425	V358-P367 HydrophobicContact CG1-CG 3.82Å; P367-V370 HydrophobicContact CB-CG2 4.28Å; P367-I388 HydrophobicContact CB-CD1 4.19Å; P367-I388 WeakPolarHBondContact O-CB 3.44Å; P367-I388 VanDerWaalsContact O-CD1 3.32Å; P367-I388 WeakPolarHBondContact O-CD1 3.28Å; P367-I413 HydrophobicContact CB-CG1 4.45Å; P367-I413 HydrophobicContact CB-CG2 3.83Å; P367-V423 HydrophobicContact CB-CG2 3.83Å; P367-V423 HydrophobicContact CG-CG2 3.64Å; P367-R424 WeakPolarHBondContact CD-O 3.21Å; P367-L425 HydrophobicContact CG-CD2 3.48Å; P367-L425 VanDerWaalsContact CG-CD2 3.48Å; P367-L425 HydrophobicContact CG-CG 4.49Å
368	K	92.8	Very high	90.1	Very high	72 Å²	72	43.2 Å²	43.2	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-30	-178.7	174.8	172	178.4	155.2	0	112.5	M366 S387 I388 E390 E415	M366-K368 PolarHBondContact O-N 3.42Å; K368-S387 WeakPolarHBondContact O-CA 3.47Å; K368-I388 PolarHBondContact O-N 3Å; K368-E390 VanDerWaalsContact CD-OE1 3.27Å; K368-E390 WeakPolarHBondContact CD-OE1 3.47Å; K368-E390 WeakPolarHBondContact CE-OE1 3.47Å; K368-E390 IonicContact NZ-OE1 3.13Å; K368-E390 PolarHBondContact NZ-OE1 2.8Å; K368-E415 WeakPolarHBondContact CA-O 3.24Å; K368-E415 HydrophobicContact CB-CB 4.45Å; K368-E415 WeakPolarHBondContact CB-O 3.25Å; K368-E415 PolarHBondContact N-O 3.31Å
369	R	94.3	Very high	89.9	Confident	67 Å²	67	49.5 Å²	49.5	25%	0.253	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	129.6	177.4	-167.6	-173.7	168.8	-164.5	-3.2	112.7	D385 V386 V414 E415	R369-D385 IonicContact CZ-OD1 2.82Å; R369-D385 IonicContact CZ-OD2 3.3Å; R369-D385 IonicContact NE-OD1 3.67Å; R369-D385 PolarHBondContact NE-OD1 3.5Å; R369-D385 IonicContact NE-OD2 3.1Å; R369-D385 IonicContact NH2-OD1 3.33Å; R369-D385 PolarHBondContact NH2-OD1 2.75Å; R369-D385 IonicContact NH2-OD2 2.69Å; R369-D385 PolarHBondContact NH2-OD2 2.76Å; R369-V386 WeakPolarHBondContact CA-O 3.47Å; R369-V414 PolarHBondContact O-N 2.92Å; R369-E415 HydrophobicContact CB-CB 3.81Å; R369-E415 HydrophobicContact CB-CG 4.23Å; R369-E415 WeakPolarHBondContact CD-OE1 3.01Å; R369-E415 WeakPolarHBondContact CD-OE2 3.27Å; R369-E415 IonicContact CZ-OE1 3.52Å; R369-E415 PolarHBondContact N-O 3.47Å; R369-E415 IonicContact NE-OE1 3.65Å; R369-E415 IonicContact NH1-OE1 3.92Å; R369-E415 PolarHBondContact NH1-OE1 3.31Å; R369-E415 PolarHBondContact O-N 3.38Å
370	V	95.4	Very high	90	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.1	-176.8	174.8	0	0	0	0	110.5	L356 P367 V372 V386 I388 V398 I411 R412 I413	L356-V370 HydrophobicContact CD1-CG1 4.13Å; L356-V370 HydrophobicContact CD1-CG2 4.03Å; P367-V370 HydrophobicContact CB-CG2 4.28Å; V370-V372 HydrophobicContact CG1-CG2 4.39Å; V370-V386 PolarHBondContact N-O 3.31Å; V370-V386 PolarHBondContact O-N 3.13Å; V370-I388 HydrophobicContact CG2-CD1 3.77Å; V370-V398 HydrophobicContact CB-CG1 4.38Å; V370-V398 HydrophobicContact CG1-CB 4.39Å; V370-V398 HydrophobicContact CG1-CG1 4.06Å; V370-I411 HydrophobicContact CG1-CG2 3.44Å; V370-I411 VanDerWaalsContact CG1-CG2 3.44Å; V370-R412 CarbonylContact C-O 3.52Å; V370-R412 WeakPolarHBondContact CA-O 3.48Å; V370-I413 HydrophobicContact CG2-CG1 4.33Å
371	V	96.1	Very high	90.2	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.6	179.9	-177.1	0	0	0	0	108.8	Y373 K382 S384 D385 R412 V414	V371-Y373 HydrophobicContact CB-CE2 4.06Å; V371-Y373 HydrophobicContact CG1-CD2 4.03Å; V371-Y373 HydrophobicContact CG1-CE2 3.33Å; V371-K382 HydrophobicContact CG1-CD 3.73Å; V371-K382 HydrophobicContact CG1-CG 3.95Å; V371-S384 WeakPolarHBondContact CG1-O 3.24Å; V371-D385 HydrophobicContact CG2-CB 4.49Å; V371-R412 PolarHBondContact N-O 3.45Å; V371-R412 PolarHBondContact O-N 2.98Å; V371-V414 HydrophobicContact CB-CG2 4.01Å; V371-V414 HydrophobicContact CG2-CB 4.42Å; V371-V414 HydrophobicContact CG2-CG2 3.59Å
372	V	97	Very high	90.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.8	179.1	-169.1	0	0	0	0	110.4	V370 L383 S384 V398 L399 I409 E410 I411	V370-V372 HydrophobicContact CG1-CG2 4.39Å; V372-L383 PolarHBondContact O-N 3.24Å; V372-S384 VanDerWaalsContact CB-OG 3.29Å; V372-S384 WeakPolarHBondContact CB-OG 3.38Å; V372-S384 WeakPolarHBondContact CG2-OG 3.44Å; V372-S384 PolarHBondContact N-O 3.12Å; V372-S384 PolarHBondContact O-N 2.87Å; V372-V398 HydrophobicContact CG2-CB 3.83Å; V372-V398 HydrophobicContact CG2-CG2 3.87Å; V372-V398 WeakPolarHBondContact CG2-O 3.41Å; V372-L399 HydrophobicContact CG1-CB 4.41Å; V372-L399 HydrophobicContact CG1-CD2 4.16Å; V372-I409 HydrophobicContact CG1-CG2 3.57Å; V372-E410 CarbonylContact C-O 3.49Å; V372-E410 WeakPolarHBondContact CA-O 3.46Å; V372-I411 HydrophobicContact CG1-CG1 4.45Å; V372-I411 HydrophobicContact CG2-CG1 4.45Å; V372-I411 HydrophobicContact CG2-CG2 4.42Å
373	Y	96.1	Very high	90.4	Very high	57 Å²	57	58.6 Å²	58.6	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.4	173.7	-68	-106.2	0	0	0	110.3	V371 K381 K382 I409 E410 R412	V371-Y373 HydrophobicContact CB-CE2 4.06Å; V371-Y373 HydrophobicContact CG1-CD2 4.03Å; V371-Y373 HydrophobicContact CG1-CE2 3.33Å; Y373-K381 CarbonylContact C-O 3.58Å; Y373-K381 WeakPolarHBondContact CA-O 3.3Å; Y373-K382 HydrophobicContact CD1-CB 4.01Å; Y373-K382 HydrophobicContact CE1-CB 3.76Å; Y373-I409 CarbonylContact O-C 3.53Å; Y373-I409 WeakPolarHBondContact O-CA 3.46Å; Y373-E410 PolarHBondContact N-O 3.01Å; Y373-E410 PolarHBondContact O-N 3.07Å; Y373-R412 HydrophobicContact CD2-CG 4.16Å; Y373-R412 HydrophobicContact CE2-CG 4.27Å
374	G	93.8	Very high	90.4	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	160.1	169.2	0	0	0	0	0	113.8	K381 I408	G374-K381 PolarHBondContact N-O 3.37Å; G374-K381 PolarHBondContact O-N 3.18Å; G374-I408 CarbonylContact C-O 3.54Å; G374-I408 WeakPolarHBondContact CA-O 3.5Å
375	G	89.3	Confident	90.4	Very high	11 Å²	11	56.1 Å²	56.1	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-154.9	-174.7	0	0	0	0	0	114.1	P407 I408	G375-P407 WeakPolarHBondContact O-CD 3.47Å; G375-I408 PolarHBondContact N-O 3.2Å; G375-I408 PolarHBondContact O-N 2.82Å; G375-I408 VanDerWaalsContact O-N 3.1Å
376	E	82.6	Confident	90.1	Very high	149 Å²	149	54.7 Å²	54.7	70%	0.696	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.3	179.3	-62.6	-176.5	156.4	0	0	110	D378 N379 P407	E376-D378 PolarHBondContact O-N 3.14Å; E376-N379 WeakPolarHBondContact O-CB 3.42Å; E376-N379 PolarHBondContact O-N 3.37Å; E376-N379 VanDerWaalsContact O-N 3.13Å; E376-P407 HydrophobicContact CG-CG 4.26Å
377	G	78.9	Confident	89.9	Confident	45 Å²	45	57 Å²	57	46%	0.464	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-135.6	-172.2	0	0	0	0	0	111.2	N379 L380	G377-N379 VanDerWaalsContact C-N 3.27Å; G377-N379 PolarHBondContact O-N 3.48Å; G377-L380 VanDerWaalsContact O-CD2 3.23Å; G377-L380 WeakPolarHBondContact O-CD2 3.39Å
378	D	77.4	Confident	89.5	Confident	138 Å²	138	57 Å²	57	74%	0.738	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-3	179.1	-51.7	-63.9	0	0	0	114.2	E376 L380	E376-D378 PolarHBondContact O-N 3.14Å; D378-L380 PolarHBondContact O-N 2.94Å
379	N	86.8	Confident	88.7	Confident	134 Å²	134	56.4 Å²	56.4	72%	0.717	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	50	179.4	-70.5	-73.2	0	0	0	112.3	E376 G377	E376-N379 WeakPolarHBondContact O-CB 3.42Å; E376-N379 PolarHBondContact O-N 3.37Å; E376-N379 VanDerWaalsContact O-N 3.13Å; G377-N379 VanDerWaalsContact C-N 3.27Å; G377-N379 PolarHBondContact O-N 3.48Å
380	L	89.9	Confident	88	Confident	29 Å²	29	56.2 Å²	56.2	15%	0.152	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134	-177.9	-52.6	-176.5	0	0	0	111.3	G377 D378 I408 E410	G377-L380 VanDerWaalsContact O-CD2 3.23Å; G377-L380 WeakPolarHBondContact O-CD2 3.39Å; D378-L380 PolarHBondContact O-N 2.94Å; L380-I408 HydrophobicContact CD1-CG2 4.31Å; L380-I408 HydrophobicContact CD2-CB 3.8Å; L380-I408 HydrophobicContact CD2-CG2 3.7Å; L380-E410 HydrophobicContact CD1-CB 3.89Å
381	K	89	Confident	87	Confident	158 Å²	158	61.3 Å²	61.3	69%	0.687	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.2	173.6	-66.4	171.3	-172.6	162.1	0	109.5	Y373 G374 L383	Y373-K381 CarbonylContact C-O 3.58Å; Y373-K381 WeakPolarHBondContact CA-O 3.3Å; G374-K381 PolarHBondContact N-O 3.37Å; G374-K381 PolarHBondContact O-N 3.18Å; K381-L383 PolarHBondContact O-N 3.09Å
382	K	91.2	Very high	85.9	Confident	101 Å²	101	63.2 Å²	63.2	44%	0.439	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.5	171.9	179.2	166.8	172.8	159.4	0	110.1	V371 Y373 S384 D385	V371-K382 HydrophobicContact CG1-CD 3.73Å; V371-K382 HydrophobicContact CG1-CG 3.95Å; Y373-K382 HydrophobicContact CD1-CB 4.01Å; Y373-K382 HydrophobicContact CE1-CB 3.76Å; K382-S384 WeakPolarHBondContact CE-O 3.24Å; K382-D385 IonicContact NZ-OD2 3.09Å; K382-D385 PolarHBondContact NZ-OD2 3.06Å
383	L	86.3	Confident	84.9	Confident	62 Å²	62	67.6 Å²	67.6	33%	0.325	36%	0.361	S	S	.	.			trans	-110.9	-41.6	-178.5	-53.9	177.5	0	0	0	111.4	V372 K381 L399 L406	V372-L383 PolarHBondContact O-N 3.24Å; K381-L383 PolarHBondContact O-N 3.09Å; L383-L399 HydrophobicContact CB-CD1 3.66Å; L383-L399 HydrophobicContact CD1-CD1 4.06Å; L383-L399 HydrophobicContact CD1-CD2 3.83Å; L383-L406 HydrophobicContact CD1-CD1 3.59Å
384	S	91.1	Very high	84.1	Confident	23 Å²	23	66 Å²	66	16%	0.161	36%	0.362	C	S	.	.			trans	-141.1	167.9	-179.5	65.7	0	0	0	0	112.4	V371 V372 K382 V398	V371-S384 WeakPolarHBondContact CG1-O 3.24Å; V372-S384 VanDerWaalsContact CB-OG 3.29Å; V372-S384 WeakPolarHBondContact CB-OG 3.38Å; V372-S384 WeakPolarHBondContact CG2-OG 3.44Å; V372-S384 PolarHBondContact N-O 3.12Å; V372-S384 PolarHBondContact O-N 2.87Å; K382-S384 WeakPolarHBondContact CE-O 3.24Å; S384-V398 WeakPolarHBondContact CB-O 3.11Å; S384-V398 PolarHBondContact OG-O 3.33Å
385	D	92.1	Very high	83.6	Confident	68 Å²	68	68.9 Å²	68.9	36%	0.364	38%	0.377	S	S	.	.			trans	-148.3	115.9	170.8	-161.9	-23.9	0	0	0	105.3	R369 V371 K382	R369-D385 IonicContact CZ-OD1 2.82Å; R369-D385 IonicContact CZ-OD2 3.3Å; R369-D385 IonicContact NE-OD1 3.67Å; R369-D385 PolarHBondContact NE-OD1 3.5Å; R369-D385 IonicContact NE-OD2 3.1Å; R369-D385 IonicContact NH2-OD1 3.33Å; R369-D385 PolarHBondContact NH2-OD1 2.75Å; R369-D385 IonicContact NH2-OD2 2.69Å; R369-D385 PolarHBondContact NH2-OD2 2.76Å; V371-D385 HydrophobicContact CG2-CB 4.49Å; K382-D385 IonicContact NZ-OD2 3.09Å; K382-D385 PolarHBondContact NZ-OD2 3.06Å
386	V	86.4	Confident	83.4	Confident	26 Å²	26	69.3 Å²	69.3	16%	0.158	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.8	-168	179	0	0	0	0	108.8	R369 V370 V396	R369-V386 WeakPolarHBondContact CA-O 3.47Å; V370-V386 PolarHBondContact N-O 3.31Å; V370-V386 PolarHBondContact O-N 3.13Å; V386-V396 HydrophobicContact CG1-CG2 4.21Å
387	S	88	Confident	83.5	Confident	50 Å²	50	64.2 Å²	64.2	35%	0.35	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	144.5	164	-58.7	0	0	0	0	109.4	P66 K368	P66-S387 CarbonylContact O-C 3.33Å; K368-S387 WeakPolarHBondContact O-CA 3.47Å
388	I	84.6	Confident	84.2	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	34%	0.336	C	S	.	.			trans	-112.1	139.7	-177.2	-61	174.1	0	0	0	107.5	V358 M366 P367 K368 V370 E390 L392 V396	V358-I388 HydrophobicContact CG2-CG2 4.15Å; M366-I388 HydrophobicContact CE-CG2 4.2Å; P367-I388 HydrophobicContact CB-CD1 4.19Å; P367-I388 WeakPolarHBondContact O-CB 3.44Å; P367-I388 VanDerWaalsContact O-CD1 3.32Å; P367-I388 WeakPolarHBondContact O-CD1 3.28Å; K368-I388 PolarHBondContact O-N 3Å; V370-I388 HydrophobicContact CG2-CD1 3.77Å; I388-E390 PolarHBondContact O-N 3.09Å; I388-L392 HydrophobicContact CG2-CD2 4.3Å; I388-V396 HydrophobicContact CD1-CG1 3.97Å; I388-V396 HydrophobicContact CG1-CG1 4.18Å; I388-V396 HydrophobicContact CG1-CG2 4.3Å
389	D	75.9	Confident	84.8	Confident	59 Å²	59	56 Å²	56	32%	0.316	30%	0.303	S	S	.	.			trans	-71.7	124.8	174.5	-164.8	-56.4	0	0	0	110	M366 T391 L392	M366-D389 VanDerWaalsContact CE-O 3.25Å; M366-D389 WeakPolarHBondContact CE-O 3.36Å; D389-T391 PolarHBondContact O-N 3.03Å; D389-T391 VanDerWaalsContact O-N 3.07Å; D389-T391 WeakPolarHBondContact OD1-CB 3.4Å; D389-T391 PolarHBondContact OD1-N 2.63Å; D389-T391 PolarHBondContact OD1-OG1 3.32Å; D389-L392 HydrophobicContact CB-CB 4.39Å; D389-L392 VanDerWaalsContact O-CB 3.24Å; D389-L392 WeakPolarHBondContact O-CB 3.27Å; D389-L392 PolarHBondContact O-N 3.39Å
390	E	79.3	Confident	84.8	Confident	63 Å²	63	54 Å²	54	29%	0.294	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.3	-177.8	-67.6	171.7	-178.1	0	0	113.4	T360 K368 I388 R417	T360-E390 WeakPolarHBondContact CB-O 3.47Å; T360-E390 PolarHBondContact OG1-O 3.31Å; T360-E390 VanDerWaalsContact OG1-O 3.09Å; K368-E390 VanDerWaalsContact CD-OE1 3.27Å; K368-E390 WeakPolarHBondContact CD-OE1 3.47Å; K368-E390 WeakPolarHBondContact CE-OE1 3.47Å; K368-E390 IonicContact NZ-OE1 3.13Å; K368-E390 PolarHBondContact NZ-OE1 2.8Å; I388-E390 PolarHBondContact O-N 3.09Å; E390-R417 PolarHBondContact O-NH1 2.93Å
391	T	74.8	Confident	84	Confident	106 Å²	106	55.8 Å²	55.8	65%	0.65	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.1	174.6	67.5	0	0	0	0	113.9	D389	D389-T391 PolarHBondContact O-N 3.03Å; D389-T391 VanDerWaalsContact O-N 3.07Å; D389-T391 WeakPolarHBondContact OD1-CB 3.4Å; D389-T391 PolarHBondContact OD1-N 2.63Å; D389-T391 PolarHBondContact OD1-OG1 3.32Å
392	L	73.6	Confident	83.5	Confident	44 Å²	44	50.2 Å²	50.2	23%	0.23	28%	0.276	C	S	.	.			trans	-68.4	135.7	-171.9	-177.5	61.5	0	0	0	113	V358 D359 T360 M366 I388 D389 V396	V358-L392 HydrophobicContact CG2-CB 4.39Å; V358-L392 HydrophobicContact CG2-CD2 3.77Å; V358-L392 HydrophobicContact CG2-CG 4.04Å; D359-L392 CarbonylContact C-O 3.46Å; T360-L392 PolarHBondContact N-O 3.07Å; M366-L392 HydrophobicContact CE-CB 4.04Å; M366-L392 VanDerWaalsContact CE-O 3.28Å; M366-L392 WeakPolarHBondContact CE-O 3.01Å; I388-L392 HydrophobicContact CG2-CD2 4.3Å; D389-L392 HydrophobicContact CB-CB 4.39Å; D389-L392 VanDerWaalsContact O-CB 3.24Å; D389-L392 WeakPolarHBondContact O-CB 3.27Å; D389-L392 PolarHBondContact O-N 3.39Å; L392-V396 HydrophobicContact CD2-CB 3.95Å
393	I	76.9	Confident	82.4	Confident	92 Å²	92	48.3 Å²	48.3	47%	0.472	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117	160.2	-55.3	-178.8	0	0	0	107.7	D359 T360	D359-I393 HydrophobicContact CB-CG2 4.44Å; T360-I393 HydrophobicContact CG2-CD1 3.99Å; T360-I393 HydrophobicContact CG2-CG1 3.75Å
394	G	78	Confident	81.8	Confident	24 Å²	24	48 Å²	48	25%	0.247	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	131.5	-151.2	178.6	0	0	0	0	0	114.2	T357 V358	T357-G394 WeakPolarHBondContact CA-O 3.21Å; V358-G394 PolarHBondContact N-O 3.28Å; V358-G394 PolarHBondContact O-N 2.96Å
395	D	83.8	Confident	81.3	Confident	63 Å²	63	49.4 Å²	49.4	34%	0.337	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.4	-170.4	-67.1	-29.3	0	0	0	112.9	L355 L356 T357 K429	L355-D395 HydrophobicContact CB-CB 4.24Å; L355-D395 HydrophobicContact CD2-CB 3.83Å; L356-D395 CarbonylContact O-C 3.46Å; L356-D395 WeakPolarHBondContact O-CA 3.29Å; T357-D395 WeakPolarHBondContact CB-OD1 3.47Å; T357-D395 PolarHBondContact OG1-OD1 3.07Å; D395-K429 IonicContact OD1-NZ 2.73Å; D395-K429 PolarHBondContact OD1-NZ 3.47Å; D395-K429 VanDerWaalsContact OD2-CD 3.32Å; D395-K429 WeakPolarHBondContact OD2-CD 3.27Å; D395-K429 IonicContact OD2-NZ 3.88Å; D395-K429 PolarHBondContact OD2-NZ 2.8Å
396	V	84.6	Confident	81.1	Confident	20 Å²	20	47.4 Å²	47.4	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.5	168.8	60	0	0	0	0	110.8	L355 L356 V358 V386 I388 L392 V398	L355-V396 CarbonylContact C-O 3.6Å; L355-V396 WeakPolarHBondContact CA-O 3.15Å; L356-V396 HydrophobicContact CB-CG1 4.07Å; L356-V396 PolarHBondContact N-O 3.41Å; L356-V396 PolarHBondContact O-N 2.87Å; V358-V396 HydrophobicContact CG1-CG1 4.41Å; V358-V396 HydrophobicContact CG2-CG1 4.38Å; V386-V396 HydrophobicContact CG1-CG2 4.21Å; I388-V396 HydrophobicContact CD1-CG1 3.97Å; I388-V396 HydrophobicContact CG1-CG1 4.18Å; I388-V396 HydrophobicContact CG1-CG2 4.3Å; L392-V396 HydrophobicContact CD2-CB 3.95Å; V396-V398 HydrophobicContact CG1-CG1 4.37Å
397	C	85.6	Confident	81.2	Confident	41 Å²	41	48.2 Å²	48.2	28%	0.277	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.1	176.3	-164.4	0	0	0	0	110.5	L355	L355-C397 HydrophobicContact CD2-CB 4.35Å; L355-C397 HydrophobicContact CG-CB 4.22Å
398	V	92.4	Very high	81.6	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-16.2	-176.5	-63.3	0	0	0	0	113.9	L354 L356 V370 V372 S384 V396	L354-V398 HydrophobicContact CB-CG2 4.47Å; L354-V398 HydrophobicContact CD2-CG2 4.23Å; L354-V398 HydrophobicContact CG-CG2 3.97Å; L354-V398 WeakPolarHBondContact O-CG2 3.49Å; L354-V398 PolarHBondContact O-N 3.22Å; L356-V398 HydrophobicContact CD1-CG1 3.91Å; L356-V398 HydrophobicContact CG-CG1 3.96Å; L356-V398 HydrophobicContact CG-CG2 4.08Å; V370-V398 HydrophobicContact CB-CG1 4.38Å; V370-V398 HydrophobicContact CG1-CB 4.39Å; V370-V398 HydrophobicContact CG1-CG1 4.06Å; V372-V398 HydrophobicContact CG2-CB 3.83Å; V372-V398 HydrophobicContact CG2-CG2 3.87Å; V372-V398 WeakPolarHBondContact CG2-O 3.41Å; S384-V398 WeakPolarHBondContact CB-O 3.11Å; S384-V398 PolarHBondContact OG-O 3.33Å; V396-V398 HydrophobicContact CG1-CG1 4.37Å
399	L	90.8	Very high	82.1	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	132	171.8	-175.9	70.4	0	0	0	110.3	K353 L354 V372 L383 M402 I409	K353-L399 CarbonylContact C-O 3.57Å; K353-L399 WeakPolarHBondContact CA-O 3.04Å; L354-L399 HydrophobicContact CB-CB 4.12Å; L354-L399 HydrophobicContact CD2-CB 4.24Å; L354-L399 PolarHBondContact N-O 3.38Å; L354-L399 PolarHBondContact O-N 2.86Å; V372-L399 HydrophobicContact CG1-CB 4.41Å; V372-L399 HydrophobicContact CG1-CD2 4.16Å; L383-L399 HydrophobicContact CB-CD1 3.66Å; L383-L399 HydrophobicContact CD1-CD1 4.06Å; L383-L399 HydrophobicContact CD1-CD2 3.83Å; L399-M402 HydrophobicContact CD1-CE 3.79Å; L399-M402 HydrophobicContact CD1-CG 4.44Å; L399-M402 HydrophobicContact CD1-SD 4.04Å; L399-M402 HydrophobicContact CD2-CG 4.05Å; L399-M402 HydrophobicContact CD2-SD 4.35Å; L399-M402 HydrophobicContact CG-CE 4.39Å; L399-M402 HydrophobicContact CG-CG 4.12Å; L399-M402 HydrophobicContact CG-SD 4.36Å; L399-I409 HydrophobicContact CD2-CD1 4.24Å; L399-I409 HydrophobicContact CD2-CG2 4.46Å
400	E	86.1	Confident	83.1	Confident	93 Å²	93	44.2 Å²	44.2	44%	0.435	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	170	179.9	63.6	178.4	-174.9	0	0	114.2	K352 K353 M402	K352-E400 CarbonylContact O-C 3.54Å; K352-E400 WeakPolarHBondContact O-CA 3.43Å; K352-E400 WeakPolarHBondContact O-CB 3.25Å; K353-E400 HydrophobicContact CG-CB 4.08Å; E400-M402 VanDerWaalsContact C-N 3.26Å; E400-M402 WeakPolarHBondContact O-CE 3.44Å; E400-M402 PolarHBondContact O-N 2.87Å; E400-M402 VanDerWaalsContact O-N 3.11Å
401	D	73.1	Confident	84	Confident	66 Å²	66	41.2 Å²	41.2	35%	0.353	23%	0.233	S	C	.	.			trans	48.8	37.3	174.5	-74.8	-19.4	0	0	0	114.7	K352 R510	K352-D401 PolarHBondContact O-N 3.4Å; D401-R510 IonicContact OD1-CZ 3.08Å; D401-R510 IonicContact OD1-NH1 3.43Å; D401-R510 PolarHBondContact OD1-NH1 2.95Å; D401-R510 IonicContact OD1-NH2 3.69Å; D401-R510 PolarHBondContact OD1-NH2 3.09Å; D401-R510 IonicContact OD2-CZ 3.59Å; D401-R510 IonicContact OD2-NH1 3.59Å; D401-R510 PolarHBondContact OD2-NH1 3.02Å
402	M	79.4	Confident	85	Confident	41 Å²	41	40.8 Å²	40.8	20%	0.202	22%	0.219	C	C	.	.			trans	-65.9	145.3	173.8	-62.2	-70.8	98.5	0	0	111.2	I350 V351 K352 L399 E400 L406	I350-M402 HydrophobicContact CG2-CB 4.38Å; I350-M402 WeakPolarHBondContact CG2-O 3.28Å; V351-M402 HydrophobicContact CB-CB 4.39Å; V351-M402 HydrophobicContact CB-CG 4.25Å; V351-M402 WeakPolarHBondContact O-CB 3.38Å; V351-M402 PolarHBondContact O-N 3.16Å; K352-M402 PolarHBondContact NZ-O 3.12Å; L399-M402 HydrophobicContact CD1-CE 3.79Å; L399-M402 HydrophobicContact CD1-CG 4.44Å; L399-M402 HydrophobicContact CD1-SD 4.04Å; L399-M402 HydrophobicContact CD2-CG 4.05Å; L399-M402 HydrophobicContact CD2-SD 4.35Å; L399-M402 HydrophobicContact CG-CE 4.39Å; L399-M402 HydrophobicContact CG-CG 4.12Å; L399-M402 HydrophobicContact CG-SD 4.36Å; E400-M402 VanDerWaalsContact C-N 3.26Å; E400-M402 WeakPolarHBondContact O-CE 3.44Å; E400-M402 PolarHBondContact O-N 2.87Å; E400-M402 VanDerWaalsContact O-N 3.11Å; M402-L406 HydrophobicContact SD-CD1 4.15Å
403	T	68.1	Low	86	Confident	61 Å²	61	38.8 Å²	38.8	37%	0.374	21%	0.209	S	C	.	.			trans	-112.2	-5.3	-175.6	49.3	0	0	0	0	113.2	R436	T403-R436 WeakPolarHBondContact O-CD 3.15Å; T403-R436 VanDerWaalsContact O-CG 3.31Å; T403-R436 WeakPolarHBondContact O-CG 3.31Å
404	V	73.1	Confident	86.8	Confident	56 Å²	56	36.6 Å²	36.6	34%	0.339	20%	0.199	S	C	.	.	S	Bend	trans	-137.2	155.4	-179.9	-66.4	0	0	0	0	110.1	L406	V404-L406 HydrophobicContact CG2-CD2 4.31Å
405	H	81.5	Confident	87.5	Confident	52 Å²	52	38.9 Å²	38.9	24%	0.241	20%	0.204	C	C	.	.			trans	-71.5	135.9	167.6	170.4	62.4	0	0	0	109.4	K346 G348 T349 I350	K346-H405 PolarHBondContact O-CE1 2.69Å; G348-H405 PolarHBondContact N-ND1 3.2Å; T349-H405 PolarHBondContact N-ND1 3.42Å; T349-H405 PolarHBondContact O-ND1 2.71Å; I350-H405 HydrophobicContact CG1-CB 4.43Å
406	L	87.9	Confident	87.9	Confident	26 Å²	26	36.4 Å²	36.4	14%	0.136	19%	0.191	C	C	.	.			trans	-119.1	112.6	175.6	-66.5	169.6	0	0	0	107.1	M345 L383 M402 V404 I408 I409	M345-L406 WeakPolarHBondContact CB-O 3.41Å; M345-L406 WeakPolarHBondContact CG-O 3.35Å; L383-L406 HydrophobicContact CD1-CD1 3.59Å; M402-L406 HydrophobicContact SD-CD1 4.15Å; V404-L406 HydrophobicContact CG2-CD2 4.31Å; L406-I408 VanDerWaalsContact C-N 3.33Å; L406-I408 PolarHBondContact O-N 3.16Å; L406-I409 HydrophobicContact CB-CD1 4.31Å; L406-I409 HydrophobicContact CB-CG1 4Å; L406-I409 HydrophobicContact CD1-CD1 4.36Å; L406-I409 HydrophobicContact CD1-CG1 4.33Å
407	P	87.8	Confident	88.2	Confident	44 Å²	44	37.6 Å²	37.6	29%	0.286	19%	0.194	S	C	.	.	S	Bend	trans	-61.8	-36.6	-176.6	-29.1	37.6	0	0	0	114.2	M345 G375 E376	M345-P407 PolarHBondContact N-O 3.38Å; G375-P407 WeakPolarHBondContact O-CD 3.47Å; E376-P407 HydrophobicContact CG-CG 4.26Å
408	I	95.5	Very high	88.4	Confident	22 Å²	22	40.7 Å²	40.7	11%	0.113	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.2	172.6	-55.5	-63.3	0	0	0	109.2	R342 T344 G374 G375 L380 L406	R342-I408 HydrophobicContact CG-CG2 3.89Å; T344-I408 HydrophobicContact CG2-CD1 4.18Å; G374-I408 CarbonylContact C-O 3.54Å; G374-I408 WeakPolarHBondContact CA-O 3.5Å; G375-I408 PolarHBondContact N-O 3.2Å; G375-I408 PolarHBondContact O-N 2.82Å; G375-I408 VanDerWaalsContact O-N 3.1Å; L380-I408 HydrophobicContact CD1-CG2 4.31Å; L380-I408 HydrophobicContact CD2-CB 3.8Å; L380-I408 HydrophobicContact CD2-CG2 3.7Å; L406-I408 VanDerWaalsContact C-N 3.33Å; L406-I408 PolarHBondContact O-N 3.16Å
409	I	96.9	Very high	88.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.3	165.3	-62.9	177.9	0	0	0	107.8	R342 L343 M345 V351 L354 V372 Y373 L399 L406	R342-I409 WeakPolarHBondContact CA-O 3.49Å; L343-I409 HydrophobicContact CB-CB 4.47Å; L343-I409 PolarHBondContact N-O 2.84Å; L343-I409 PolarHBondContact O-N 2.95Å; M345-I409 HydrophobicContact CG-CD1 4.01Å; M345-I409 HydrophobicContact CG-CG1 4.04Å; M345-I409 HydrophobicContact SD-CD1 4.04Å; M345-I409 HydrophobicContact SD-CG1 4.42Å; V351-I409 HydrophobicContact CG2-CD1 3.47Å; V351-I409 VanDerWaalsContact CG2-CD1 3.47Å; L354-I409 HydrophobicContact CD2-CG2 3.99Å; V372-I409 HydrophobicContact CG1-CG2 3.57Å; Y373-I409 CarbonylContact O-C 3.53Å; Y373-I409 WeakPolarHBondContact O-CA 3.46Å; L399-I409 HydrophobicContact CD2-CD1 4.24Å; L399-I409 HydrophobicContact CD2-CG2 4.46Å; L406-I409 HydrophobicContact CB-CD1 4.31Å; L406-I409 HydrophobicContact CB-CG1 4Å; L406-I409 HydrophobicContact CD1-CD1 4.36Å; L406-I409 HydrophobicContact CD1-CG1 4.33Å
410	E	97.1	Very high	88	Confident	4 Å²	4	47 Å²	47	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	117.2	-177.7	-174.2	177.3	86.6	0	0	110.4	W340 R342 V372 Y373 L380 R412	W340-E410 HydrophobicContact CB-CG 4.35Å; R342-E410 HydrophobicContact CB-CG 4.41Å; R342-E410 IonicContact CZ-OE2 3.85Å; R342-E410 IonicContact NE-OE2 3.93Å; R342-E410 PolarHBondContact NE-OE2 2.93Å; R342-E410 IonicContact NH2-OE2 2.62Å; R342-E410 PolarHBondContact NH2-OE2 2.83Å; V372-E410 CarbonylContact C-O 3.49Å; V372-E410 WeakPolarHBondContact CA-O 3.46Å; Y373-E410 PolarHBondContact N-O 3.01Å; Y373-E410 PolarHBondContact O-N 3.07Å; L380-E410 HydrophobicContact CD1-CB 3.89Å; E410-R412 HydrophobicContact CG-CG 4.27Å; E410-R412 IonicContact OE1-CZ 3.58Å; E410-R412 IonicContact OE1-NE 3.19Å; E410-R412 PolarHBondContact OE1-NE 3.07Å; E410-R412 IonicContact OE1-NH2 3.33Å; E410-R412 PolarHBondContact OE1-NH2 3.01Å
411	I	97.1	Very high	88.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111	-179.3	-50.8	176.6	0	0	0	106.6	W340 V341 L343 L354 L356 V370 V372 V428	W340-I411 CarbonylContact C-O 3.36Å; W340-I411 WeakPolarHBondContact CA-O 3.19Å; W340-I411 WeakPolarHBondContact CB-O 3.37Å; V341-I411 HydrophobicContact CB-CB 4.38Å; V341-I411 PolarHBondContact N-O 3.03Å; V341-I411 PolarHBondContact O-N 3.45Å; L343-I411 HydrophobicContact CD1-CD1 4.46Å; L354-I411 HydrophobicContact CD1-CD1 4.37Å; L354-I411 HydrophobicContact CD2-CD1 3.88Å; L354-I411 HydrophobicContact CD2-CG1 4.16Å; L354-I411 HydrophobicContact CG-CD1 4.28Å; L356-I411 HydrophobicContact CD1-CG2 4Å; L356-I411 HydrophobicContact CD2-CD1 3.94Å; L356-I411 HydrophobicContact CD2-CG2 4.41Å; V370-I411 HydrophobicContact CG1-CG2 3.44Å; V370-I411 VanDerWaalsContact CG1-CG2 3.44Å; V372-I411 HydrophobicContact CG1-CG1 4.45Å; V372-I411 HydrophobicContact CG2-CG1 4.45Å; V372-I411 HydrophobicContact CG2-CG2 4.42Å; I411-V428 HydrophobicContact CD1-CG1 4.47Å
412	R	96.1	Very high	89	Confident	97 Å²	97	45.6 Å²	45.6	37%	0.366	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.3	177.4	-58.6	-170.7	-176.4	-176.5	-2.6	110.4	W340 V370 V371 Y373 E410 V414	W340-R412 HydrophobicContact CB-CG 4.24Å; V370-R412 CarbonylContact C-O 3.52Å; V370-R412 WeakPolarHBondContact CA-O 3.48Å; V371-R412 PolarHBondContact N-O 3.45Å; V371-R412 PolarHBondContact O-N 2.98Å; Y373-R412 HydrophobicContact CD2-CG 4.16Å; Y373-R412 HydrophobicContact CE2-CG 4.27Å; E410-R412 HydrophobicContact CG-CG 4.27Å; E410-R412 IonicContact OE1-CZ 3.58Å; E410-R412 IonicContact OE1-NE 3.19Å; E410-R412 PolarHBondContact OE1-NE 3.07Å; E410-R412 IonicContact OE1-NH2 3.33Å; E410-R412 PolarHBondContact OE1-NH2 3.01Å; R412-V414 HydrophobicContact CB-CG2 4.34Å
413	I	94.9	Very high	89.7	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.8	171.3	-56.7	85.1	0	0	0	106.5	W330 H339 P367 V370 V423 L425	W330-I413 HydrophobicContact CH2-CD1 4.47Å; W330-I413 HydrophobicContact CZ3-CD1 4.25Å; H339-I413 HydrophobicContact CB-CB 4.26Å; H339-I413 HydrophobicContact CB-CD1 4.27Å; H339-I413 PolarHBondContact O-N 3.43Å; P367-I413 HydrophobicContact CB-CG1 4.45Å; P367-I413 HydrophobicContact CB-CG2 3.83Å; V370-I413 HydrophobicContact CG2-CG1 4.33Å; I413-V423 HydrophobicContact CD1-CG1 4.38Å; I413-V423 HydrophobicContact CG1-CG1 4.38Å; I413-V423 HydrophobicContact CG1-CG2 4.22Å; I413-V423 HydrophobicContact CG2-CB 4.4Å; I413-V423 HydrophobicContact CG2-CG2 4.09Å; I413-L425 HydrophobicContact CD1-CD1 4.41Å
414	V	93.3	Very high	90.9	Very high	45 Å²	45	43.1 Å²	43.1	27%	0.273	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-33.5	-170.4	-178.3	0	0	0	0	111.4	C337 R369 V371 R412	C337-V414 PolarHBondContact SG-O 3.14Å; R369-V414 PolarHBondContact O-N 2.92Å; V371-V414 HydrophobicContact CB-CG2 4.01Å; V371-V414 HydrophobicContact CG2-CB 4.42Å; V371-V414 HydrophobicContact CG2-CG2 3.59Å; R412-V414 HydrophobicContact CB-CG2 4.34Å
415	E	92.5	Very high	91.9	Very high	73 Å²	73	40.4 Å²	40.4	34%	0.341	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.8	175.9	-63.3	153.3	-149.7	0	0	108.7	K368 R369	K368-E415 WeakPolarHBondContact CA-O 3.24Å; K368-E415 HydrophobicContact CB-CB 4.45Å; K368-E415 WeakPolarHBondContact CB-O 3.25Å; K368-E415 PolarHBondContact N-O 3.31Å; R369-E415 HydrophobicContact CB-CB 3.81Å; R369-E415 HydrophobicContact CB-CG 4.23Å; R369-E415 WeakPolarHBondContact CD-OE1 3.01Å; R369-E415 WeakPolarHBondContact CD-OE2 3.27Å; R369-E415 IonicContact CZ-OE1 3.52Å; R369-E415 PolarHBondContact N-O 3.47Å; R369-E415 IonicContact NE-OE1 3.65Å; R369-E415 IonicContact NH1-OE1 3.92Å; R369-E415 PolarHBondContact NH1-OE1 3.31Å; R369-E415 PolarHBondContact O-N 3.38Å
416	C	92.2	Very high	92.4	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	167	165.7	-66.8	0	0	0	0	110	M366 D422	M366-C416 CarbonylContact O-C 3.56Å; M366-C416 WeakPolarHBondContact O-CA 3.37Å; C416-D422 PolarHBondContact SG-O 3.2Å
417	R	90.9	Very high	92.5	Very high	45 Å²	45	38.6 Å²	38.6	17%	0.17	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-64.7	146.5	172	169.9	168.8	161.9	-178.7	-21.8	110.6	T360 D363 N364 M366 E390 D419 G420	T360-R417 PolarHBondContact OG1-NH1 2.77Å; D363-R417 WeakPolarHBondContact O-CD 3.43Å; D363-R417 IonicContact OD1-CZ 3.23Å; D363-R417 IonicContact OD1-NE 2.72Å; D363-R417 IonicContact OD1-NH2 3.09Å; D363-R417 PolarHBondContact OD1-NH2 2.84Å; N364-R417 WeakPolarHBondContact CA-O 3.5Å; M366-R417 HydrophobicContact CB-CB 4.15Å; M366-R417 PolarHBondContact O-N 3.1Å; E390-R417 PolarHBondContact O-NH1 2.93Å; R417-D419 PolarHBondContact O-N 3.45Å; R417-G420 PolarHBondContact O-N 3.04Å
418	D	89.9	Confident	92.7	Very high	106 Å²	106	36.7 Å²	36.7	57%	0.567	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	46.9	39.5	177.2	-63.5	-54.4	0	0	0	114.6	N364 G420	N364-D418 HydrophobicContact CB-CB 4.41Å; D418-G420 PolarHBondContact O-N 2.79Å
419	D	87.3	Confident	92.4	Very high	137 Å²	137	38.7 Å²	38.7	73%	0.733	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	51.4	38.7	-176.5	-63.2	-36.3	0	0	0	113.8	Q336 R417	Q336-D419 PolarHBondContact NE2-O 3.01Å; R417-D419 PolarHBondContact O-N 3.45Å
420	G	86.9	Confident	92	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	19%	0.188	C	C	.	.			trans	-54.2	150.5	173.4	0	0	0	0	0	114.2	Q336 N364 R417 D418	Q336-G420 PolarHBondContact NE2-O 3.43Å; N364-G420 WeakPolarHBondContact O-CA 3.46Å; R417-G420 PolarHBondContact O-N 3.04Å; D418-G420 PolarHBondContact O-N 2.79Å
421	I	89.3	Confident	91.3	Very high	98 Å²	98	39.7 Å²	39.7	50%	0.503	19%	0.192	S	C	.	.	S	Bend	trans	-86.7	-50.9	179.6	-63.9	175.6	0	0	0	110.2	G334 Q336 H339	G334-I421 WeakPolarHBondContact O-CG2 3.49Å; Q336-I421 HydrophobicContact CB-CG2 4.36Å; H339-I421 PolarHBondContact CD2-O 3.28Å; H339-I421 PolarHBondContact NE2-O 2.96Å
422	D	91.6	Very high	90.6	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	20%	0.203	C	C	.	.	S	Bend	trans	-102.4	171.8	-178.5	-72.9	-66.7	0	0	0	112.5	S332 G334 H339 F365 C416	S332-D422 VanDerWaalsContact O-OD1 3.13Å; S332-D422 VanDerWaalsContact OG-CA 3.28Å; S332-D422 WeakPolarHBondContact OG-CA 3.5Å; S332-D422 VanDerWaalsContact OG-CB 3.23Å; S332-D422 WeakPolarHBondContact OG-CB 3.24Å; S332-D422 PolarHBondContact OG-OD1 3Å; G334-D422 PolarHBondContact N-OD1 3.45Å; H339-D422 IonicContact CE1-OD1 3.39Å; H339-D422 PolarHBondContact CE1-OD1 2.92Å; H339-D422 IonicContact NE2-OD1 3.54Å; F365-D422 HydrophobicContact CD1-CB 3.96Å; F365-D422 HydrophobicContact CE1-CB 3.91Å; C416-D422 PolarHBondContact SG-O 3.2Å
423	V	93.5	Very high	89.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.			trans	-133.2	144.5	-177.6	64.3	0	0	0	0	111.9	W330 E331 S332 H339 F365 P367 I413	W330-V423 HydrophobicContact CH2-CG1 3.86Å; W330-V423 HydrophobicContact CZ3-CG1 3.73Å; E331-V423 WeakPolarHBondContact CA-O 3.38Å; S332-V423 PolarHBondContact N-O 2.86Å; S332-V423 PolarHBondContact OG-N 3.44Å; H339-V423 HydrophobicContact CB-CG1 3.78Å; F365-V423 CarbonylContact O-C 3.57Å; F365-V423 WeakPolarHBondContact O-CA 3.25Å; P367-V423 HydrophobicContact CB-CG2 3.83Å; P367-V423 HydrophobicContact CG-CG2 3.64Å; I413-V423 HydrophobicContact CD1-CG1 4.38Å; I413-V423 HydrophobicContact CG1-CG1 4.38Å; I413-V423 HydrophobicContact CG1-CG2 4.22Å; I413-V423 HydrophobicContact CG2-CB 4.4Å; I413-V423 HydrophobicContact CG2-CG2 4.09Å
424	R	94.3	Very high	88.1	Confident	49 Å²	49	48.6 Å²	48.6	19%	0.185	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.8	165.8	-73	176.9	-174.4	158	3.4	111.3	Y329 W330 E331 D362 F365 P367	Y329-R424 HydrophobicContact CD2-CB 4.36Å; Y329-R424 HydrophobicContact CD2-CG 3.68Å; Y329-R424 HydrophobicContact CE2-CG 4.05Å; Y329-R424 HydrophobicContact CG-CB 4.49Å; Y329-R424 HydrophobicContact CG-CG 4.23Å; W330-R424 VanDerWaalsContact O-CA 3.27Å; W330-R424 WeakPolarHBondContact O-CA 3.44Å; E331-R424 HydrophobicContact CB-CG 4.32Å; E331-R424 HydrophobicContact CG-CG 4.25Å; E331-R424 IonicContact OE2-CZ 2.73Å; E331-R424 IonicContact OE2-NE 2.63Å; E331-R424 PolarHBondContact OE2-NE 3.35Å; E331-R424 IonicContact OE2-NH2 3.53Å; E331-R424 PolarHBondContact OE2-NH2 2.75Å; D362-R424 HydrophobicContact CB-CB 4.24Å; D362-R424 WeakPolarHBondContact OD1-CD 3.46Å; D362-R424 IonicContact OD1-NH1 3.8Å; F365-R424 HydrophobicContact CB-CB 4.09Å; F365-R424 HydrophobicContact CB-CG 3.81Å; F365-R424 HydrophobicContact CD1-CG 4.18Å; F365-R424 HydrophobicContact CG-CG 4.23Å; F365-R424 PolarHBondContact O-N 3.09Å; P367-R424 WeakPolarHBondContact CD-O 3.21Å
425	L	93.7	Very high	86.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.7	168.5	-67.1	176.4	0	0	0	110.1	L321 Y329 W330 V341 L356 V358 P367 I413 G427	L321-L425 HydrophobicContact CD2-CB 3.74Å; Y329-L425 CarbonylContact C-O 3.5Å; Y329-L425 WeakPolarHBondContact CA-O 3.42Å; W330-L425 HydrophobicContact CE3-CB 4.07Å; W330-L425 HydrophobicContact CE3-CD1 3.85Å; W330-L425 HydrophobicContact CE3-CG 4.06Å; W330-L425 HydrophobicContact CZ3-CD1 3.76Å; W330-L425 HydrophobicContact CZ3-CG 4.21Å; W330-L425 PolarHBondContact N-O 2.95Å; W330-L425 PolarHBondContact O-N 3.18Å; V341-L425 HydrophobicContact CG2-CD1 4.1Å; L356-L425 HydrophobicContact CB-CD2 4.26Å; L356-L425 HydrophobicContact CD1-CD1 4.35Å; L356-L425 HydrophobicContact CD1-CD2 4.05Å; L356-L425 HydrophobicContact CD2-CD1 4.24Å; V358-L425 HydrophobicContact CG1-CD2 4.01Å; P367-L425 HydrophobicContact CG-CD2 3.48Å; P367-L425 VanDerWaalsContact CG-CD2 3.48Å; P367-L425 HydrophobicContact CG-CG 4.49Å; I413-L425 HydrophobicContact CD1-CD1 4.41Å; L425-G427 VanDerWaalsContact C-N 3.33Å
426	R	91.1	Very high	85.6	Confident	35 Å²	35	50.8 Å²	50.8	13%	0.132	24%	0.239	C	C	.	.	S	Bend	trans	-90.7	6.5	-177.4	-64.5	176.7	-179.7	-125.7	7.4	113.7	A326 T328 T357 D359 D362	A326-R426 PolarHBondContact O-NH1 3.23Å; T328-R426 WeakPolarHBondContact O-CG 3.46Å; T357-R426 HydrophobicContact CG2-CB 3.94Å; T357-R426 PolarHBondContact O-N 3.46Å; D359-R426 IonicContact OD2-CZ 3.65Å; D359-R426 IonicContact OD2-NH1 2.58Å; D362-R426 VanDerWaalsContact CG-NH2 3.34Å; D362-R426 IonicContact OD1-CZ 3.28Å; D362-R426 IonicContact OD1-NE 2.7Å; D362-R426 IonicContact OD1-NH2 2.89Å; D362-R426 PolarHBondContact OD1-NH2 3.07Å; D362-R426 IonicContact OD2-CZ 2.69Å; D362-R426 IonicContact OD2-NE 3.17Å; D362-R426 PolarHBondContact OD2-NE 3.1Å; D362-R426 IonicContact OD2-NH2 2.84Å; D362-R426 PolarHBondContact OD2-NH2 2.81Å
427	G	90.8	Very high	84.4	Confident	5 Å²	5	54.7 Å²	54.7	5%	0.052	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	152.6	179.3	0	0	0	0	0	114.8	L356 T357 L425	L356-G427 WeakPolarHBondContact CA-O 3.37Å; T357-G427 PolarHBondContact N-O 2.67Å; L425-G427 VanDerWaalsContact C-N 3.33Å
428	V	92.9	Very high	83.5	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.2	165	-179.6	0	0	0	0	108.1	V300 L321 V341 L343 L354 L355 L356 I411	V300-V428 HydrophobicContact CB-CG1 4.46Å; V300-V428 HydrophobicContact CG1-CB 4.28Å; V300-V428 HydrophobicContact CG1-CG1 4.34Å; V300-V428 WeakPolarHBondContact CG1-O 3.18Å; V300-V428 HydrophobicContact CG2-CG1 4.34Å; L321-V428 HydrophobicContact CB-CG2 4.18Å; L321-V428 HydrophobicContact CD1-CG2 4.14Å; L321-V428 HydrophobicContact CD2-CG2 4.15Å; L321-V428 HydrophobicContact CG-CG2 4.4Å; L321-V428 PolarHBondContact O-N 2.78Å; V341-V428 HydrophobicContact CG1-CG2 4.49Å; L343-V428 HydrophobicContact CD1-CG1 4.36Å; L354-V428 HydrophobicContact CD1-CG1 3.74Å; L355-V428 WeakPolarHBondContact O-CA 3.43Å; L356-V428 HydrophobicContact CD2-CG2 3.84Å; I411-V428 HydrophobicContact CD1-CG1 4.47Å
429	K	89	Confident	82.9	Confident	64 Å²	64	51.4 Å²	51.4	28%	0.278	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.3	-177.4	-67.3	165.3	-178	163.6	0	109.7	L297 L355 T357 D395	L297-K429 HydrophobicContact CB-CB 4.2Å; L297-K429 HydrophobicContact CD1-CB 4.02Å; L297-K429 HydrophobicContact CD1-CD 3.99Å; L355-K429 HydrophobicContact CB-CB 4.4Å; L355-K429 PolarHBondContact N-O 3.17Å; L355-K429 PolarHBondContact O-N 2.91Å; T357-K429 WeakPolarHBondContact OG1-CE 3.28Å; T357-K429 PolarHBondContact OG1-NZ 2.82Å; T357-K429 VanDerWaalsContact OG1-NZ 3.13Å; D395-K429 IonicContact OD1-NZ 2.73Å; D395-K429 PolarHBondContact OD1-NZ 3.47Å; D395-K429 VanDerWaalsContact OD2-CD 3.32Å; D395-K429 WeakPolarHBondContact OD2-CD 3.27Å; D395-K429 IonicContact OD2-NZ 3.88Å; D395-K429 PolarHBondContact OD2-NZ 2.8Å
430	I	87.4	Confident	82.9	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.8	-178.7	-159.7	170.4	0	0	0	112.4	G298 V300 Y303 M345 V351 K353 L354	G298-I430 PolarHBondContact N-O 2.82Å; V300-I430 HydrophobicContact CB-CB 4.44Å; V300-I430 HydrophobicContact CB-CG2 3.96Å; V300-I430 HydrophobicContact CG2-CB 4.3Å; V300-I430 HydrophobicContact CG2-CG2 3.98Å; Y303-I430 HydrophobicContact CD2-CG2 3.22Å; Y303-I430 HydrophobicContact CE2-CG2 3.72Å; Y303-I430 HydrophobicContact CG-CG2 4.02Å; M345-I430 HydrophobicContact CE-CD1 3.74Å; V351-I430 HydrophobicContact CG1-CD1 4.2Å; V351-I430 HydrophobicContact CG1-CG1 4.18Å; V351-I430 HydrophobicContact CG2-CD1 4.02Å; K353-I430 CarbonylContact O-C 3.6Å; K353-I430 WeakPolarHBondContact O-CA 3.49Å; K353-I430 WeakPolarHBondContact O-CG1 3.22Å; L354-I430 HydrophobicContact CD1-CB 4.42Å; L354-I430 HydrophobicContact CD1-CD1 4.3Å; L354-I430 HydrophobicContact CD1-CG1 4.32Å
431	K	83.4	Confident	82.9	Confident	26 Å²	26	47.7 Å²	47.7	11%	0.113	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.2	167.8	-161.5	176.4	-157.9	158.7	0	107.2	E293 D294 L297 K352 K353	E293-K431 PolarHBondContact O-NZ 2.86Å; E293-K431 WeakPolarHBondContact OE2-CE 3.19Å; E293-K431 IonicContact OE2-NZ 2.74Å; E293-K431 PolarHBondContact OE2-NZ 2.97Å; D294-K431 WeakPolarHBondContact O-CE 3.16Å; D294-K431 PolarHBondContact O-NZ 3.24Å; L297-K431 HydrophobicContact CD2-CB 3.99Å; K352-K431 HydrophobicContact CB-CB 4.11Å; K352-K431 HydrophobicContact CB-CD 4.4Å; K352-K431 HydrophobicContact CB-CG 4.11Å; K352-K431 WeakPolarHBondContact CB-O 3.29Å; K352-K431 PolarHBondContact N-O 2.98Å; K353-K431 HydrophobicContact CB-CB 4.16Å; K353-K431 PolarHBondContact N-O 2.7Å; K353-K431 PolarHBondContact O-N 3.4Å
432	S	81.6	Confident	82.9	Confident	32 Å²	32	43.6 Å²	43.6	22%	0.224	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.4	-179	74.6	0	0	0	0	113.3	Y303 I350	Y303-S432 WeakPolarHBondContact CD1-OG 3.3Å; Y303-S432 WeakPolarHBondContact CE1-OG 3.47Å; I350-S432 CarbonylContact O-C 3.5Å; I350-S432 WeakPolarHBondContact O-CA 3.47Å; I350-S432 VanDerWaalsContact O-CB 3.23Å; I350-S432 WeakPolarHBondContact O-CB 3.28Å
433	S	73.8	Confident	82.6	Confident	23 Å²	23	43.9 Å²	43.9	16%	0.161	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	159.2	171.3	66.3	0	0	0	0	110.6	I350 K352 Q435	I350-S433 PolarHBondContact N-O 2.87Å; I350-S433 PolarHBondContact O-N 3.15Å; K352-S433 WeakPolarHBondContact CE-OG 3.41Å; S433-Q435 WeakPolarHBondContact CB-O 3.05Å; S433-Q435 PolarHBondContact OG-O 3.34Å
434	R	65.9	Low	82.3	Confident	231 Å²	231	45.2 Å²	45.2	87%	0.872	23%	0.225	S	C	*	.	S	Bend	trans	-95.7	-4.5	168.3	-66.3	-172.6	179.5	-166.4	1.1	113.4
435	Q	64.8	Low	82.1	Confident	120 Å²	120	42.9 Å²	42.9	56%	0.561	22%	0.216	S	C	*	.	S	Bend	trans	-127	146.7	178.4	-66.1	-176.3	6.3	0	0	109.3	P205 S433	P205-Q435 HydrophobicContact CB-CB 4.4Å; P205-Q435 CarbonylContact O-C 3.46Å; P205-Q435 WeakPolarHBondContact O-CA 3.27Å; S433-Q435 WeakPolarHBondContact CB-O 3.05Å; S433-Q435 PolarHBondContact OG-O 3.34Å
436	R	66.8	Low	81.6	Confident	44 Å²	44	46 Å²	46	17%	0.166	23%	0.23	C	C	.	.			trans	-74.3	131.6	174.5	177.3	-178.7	172.1	176.4	-3.8	109.6	C203 P205 I350 T403 L438	C203-R436 PolarHBondContact SG-NH1 3Å; C203-R436 VanDerWaalsContact SG-NH1 3.37Å; P205-R436 PolarHBondContact O-N 3.48Å; I350-R436 HydrophobicContact CD1-CB 4.19Å; T403-R436 WeakPolarHBondContact O-CD 3.15Å; T403-R436 VanDerWaalsContact O-CG 3.31Å; T403-R436 WeakPolarHBondContact O-CG 3.31Å; R436-L438 HydrophobicContact CB-CD2 4.48Å; R436-L438 HydrophobicContact CG-CD2 3.72Å; R436-L438 HydrophobicContact CG-CG 4.46Å; R436-L438 VanDerWaalsContact NE-CD2 3.33Å
437	E	67.6	Low	81.1	Confident	94 Å²	94	47.1 Å²	47.1	44%	0.439	24%	0.242	S	C	.	.			trans	-77.4	137.4	164.7	-79.4	150.2	-147.5	0	0	110	K352	K352-E437 VanDerWaalsContact CD-OE1 3.27Å; K352-E437 WeakPolarHBondContact CD-OE1 3.35Å; K352-E437 WeakPolarHBondContact CD-OE2 3.37Å; K352-E437 WeakPolarHBondContact CE-OE1 3.26Å; K352-E437 VanDerWaalsContact CE-OE2 3.31Å; K352-E437 WeakPolarHBondContact CE-OE2 3.5Å; K352-E437 IonicContact NZ-OE1 3.84Å; K352-E437 PolarHBondContact NZ-OE1 2.7Å; K352-E437 IonicContact NZ-OE2 2.89Å; K352-E437 PolarHBondContact NZ-OE2 3.46Å
438	L	72.8	Confident	80.7	Confident	22 Å²	22	52 Å²	52	12%	0.115	27%	0.271	C	S	.	.			trans	-120.7	0.4	-170.5	-64.2	-177.9	0	0	0	113.2	C172 L177 C203 P205 R436	C172-L438 HydrophobicContact CB-CB 4.38Å; C172-L438 VanDerWaalsContact SG-CB 3.56Å; L177-L438 HydrophobicContact CB-CB 4.27Å; L177-L438 HydrophobicContact CB-CD1 4.28Å; L177-L438 HydrophobicContact CB-CD2 4.22Å; C203-L438 WeakPolarHBondContact SG-CD2 3.36Å; P205-L438 HydrophobicContact CB-CD1 4.47Å; P205-L438 HydrophobicContact CG-CD1 3.82Å; R436-L438 HydrophobicContact CB-CD2 4.48Å; R436-L438 HydrophobicContact CG-CD2 3.72Å; R436-L438 HydrophobicContact CG-CG 4.46Å; R436-L438 VanDerWaalsContact NE-CD2 3.33Å
439	G	76.9	Confident	80.2	Confident	59 Å²	59	53.7 Å²	53.7	61%	0.608	28%	0.283	S	S	*	.	S	Bend	trans	114.6	-169.6	-169.3	0	0	0	0	0	111.3
440	L	86.7	Confident	80	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	-59.7	134.6	169.8	178.1	63	0	0	0	110.3	C172 L286 L290 L444 F445 Y465 A468 V469	C172-L440 WeakPolarHBondContact CB-O 3.49Å; C172-L440 PolarHBondContact SG-O 2.93Å; C172-L440 VanDerWaalsContact SG-O 3.32Å; L286-L440 HydrophobicContact CD2-CD1 3.77Å; L290-L440 HydrophobicContact CD2-CD1 3.9Å; L440-L444 HydrophobicContact CD1-CD2 4.27Å; L440-F445 HydrophobicContact CD1-CE2 4.06Å; L440-F445 HydrophobicContact CD1-CZ 4.11Å; L440-F445 HydrophobicContact CD2-CE2 3.82Å; L440-F445 HydrophobicContact CD2-CZ 3.92Å; L440-F445 HydrophobicContact CG-CE2 4.01Å; L440-F445 HydrophobicContact CG-CZ 4.36Å; L440-Y465 HydrophobicContact CB-CE2 4.07Å; L440-Y465 HydrophobicContact CD2-CD2 3.77Å; L440-Y465 HydrophobicContact CD2-CE2 3.98Å; L440-Y465 HydrophobicContact CG-CD2 3.97Å; L440-Y465 HydrophobicContact CG-CE2 3.92Å; L440-Y465 WeakPolarHBondContact O-CE2 3.27Å; L440-A468 HydrophobicContact CD2-CB 3.46Å; L440-A468 VanDerWaalsContact CD2-CB 3.46Å; L440-V469 HydrophobicContact CD2-CG2 4.08Å
441	N	87.4	Confident	79.8	Confident	60 Å²	60	55.5 Å²	55.5	32%	0.321	30%	0.299	S	S	.	.			trans	-87.5	120.3	175	-175.5	-10	0	0	0	110.1	N173 G174 D443 L444	N173-N441 WeakPolarHBondContact CA-OD1 3.49Å; G174-N441 PolarHBondContact N-OD1 3.39Å; N441-D443 VanDerWaalsContact C-N 3.27Å; N441-D443 PolarHBondContact O-N 3.39Å; N441-D443 WeakPolarHBondContact OD1-CB 3.39Å; N441-D443 PolarHBondContact OD1-N 2.95Å; N441-L444 WeakPolarHBondContact O-CB 3.4Å; N441-L444 PolarHBondContact O-N 3.26Å
442	A	88.7	Confident	79.7	Confident	12 Å²	12	62.9 Å²	62.9	10%	0.099	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-64.7	-27.5	177.1	0	0	0	0	0	113.4	L171 C172 L444 F445 Y465	L171-A442 HydrophobicContact CD1-CB 3.77Å; C172-A442 WeakPolarHBondContact O-CB 3.4Å; C172-A442 PolarHBondContact O-N 2.98Å; A442-L444 PolarHBondContact O-N 3.24Å; A442-L444 VanDerWaalsContact O-N 3.07Å; A442-F445 PolarHBondContact O-N 2.82Å; A442-Y465 HydrophobicContact CB-CD1 4.5Å; A442-Y465 HydrophobicContact CB-CD2 3.69Å; A442-Y465 HydrophobicContact CB-CE2 3.98Å; A442-Y465 HydrophobicContact CB-CG 3.97Å
443	D	85.4	Confident	80.1	Confident	39 Å²	39	62.4 Å²	62.4	21%	0.209	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-67.4	-6.2	175.9	-59.3	-28.9	0	0	0	112.8	S146 G174 N441 Q446	S146-D443 VanDerWaalsContact CB-OD2 3.31Å; S146-D443 WeakPolarHBondContact CB-OD2 3.44Å; G174-D443 WeakPolarHBondContact CA-OD2 3.46Å; G174-D443 PolarHBondContact N-OD2 3Å; N441-D443 VanDerWaalsContact C-N 3.27Å; N441-D443 PolarHBondContact O-N 3.39Å; N441-D443 WeakPolarHBondContact OD1-CB 3.39Å; N441-D443 PolarHBondContact OD1-N 2.95Å; D443-Q446 WeakPolarHBondContact O-CG 3.43Å
444	L	86.8	Confident	80.8	Confident	28 Å²	28	65.8 Å²	65.8	15%	0.147	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-68.6	-32.7	172	177.6	57	0	0	0	112.3	F285 L286 H289 L290 L440 N441 A442 Q446 S449	F285-L444 HydrophobicContact CE1-CD1 4.21Å; F285-L444 HydrophobicContact CE1-CD2 3.92Å; F285-L444 HydrophobicContact CE1-CG 3.67Å; F285-L444 HydrophobicContact CZ-CD1 3.73Å; F285-L444 HydrophobicContact CZ-CD2 4.3Å; F285-L444 HydrophobicContact CZ-CG 3.64Å; F285-L444 WeakPolarHBondContact CZ-O 3.32Å; L286-L444 HydrophobicContact CD2-CD2 4.34Å; H289-L444 HydrophobicContact CB-CD1 3.53Å; H289-L444 HydrophobicContact CB-CD2 4.08Å; H289-L444 HydrophobicContact CB-CG 4.4Å; L290-L444 HydrophobicContact CD2-CD2 4.33Å; L440-L444 HydrophobicContact CD1-CD2 4.27Å; N441-L444 WeakPolarHBondContact O-CB 3.4Å; N441-L444 PolarHBondContact O-N 3.26Å; A442-L444 PolarHBondContact O-N 3.24Å; A442-L444 VanDerWaalsContact O-N 3.07Å; L444-Q446 PolarHBondContact O-N 2.93Å; L444-Q446 VanDerWaalsContact O-N 3.12Å; L444-S449 WeakPolarHBondContact O-CB 3.34Å
445	F	89.8	Confident	82.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-85.4	23.6	-171.6	-59	-79.3	0	0	0	114	L282 F285 L286 L440 A442 P461 L464 Y465 A468	L282-F445 HydrophobicContact CD1-CD1 4.46Å; L282-F445 HydrophobicContact CD1-CE1 3.7Å; F285-F445 HydrophobicContact CD1-CD1 4.33Å; F285-F445 AromaticContact CD1-CE1 3.92Å; F285-F445 HydrophobicContact CD1-CE1 3.92Å; F285-F445 AromaticContact CE1-CD1 3.64Å; F285-F445 HydrophobicContact CE1-CD1 3.64Å; F285-F445 AromaticContact CE1-CE1 3.5Å; F285-F445 HydrophobicContact CE1-CE1 3.5Å; F285-F445 VanDerWaalsContact CE1-CE1 3.5Å; F285-F445 HydrophobicContact CE1-CZ 4.32Å; F285-F445 HydrophobicContact CZ-CD1 4.44Å; L286-F445 HydrophobicContact CD2-CZ 4.05Å; L440-F445 HydrophobicContact CD1-CE2 4.06Å; L440-F445 HydrophobicContact CD1-CZ 4.11Å; L440-F445 HydrophobicContact CD2-CE2 3.82Å; L440-F445 HydrophobicContact CD2-CZ 3.92Å; L440-F445 HydrophobicContact CG-CE2 4.01Å; L440-F445 HydrophobicContact CG-CZ 4.36Å; A442-F445 PolarHBondContact O-N 2.82Å; F445-P461 HydrophobicContact CB-CB 3.98Å; F445-P461 WeakPolarHBondContact O-CB 3.42Å; F445-P461 WeakPolarHBondContact O-CG 3.43Å; F445-L464 HydrophobicContact CB-CB 4.21Å; F445-L464 HydrophobicContact CB-CD1 4.41Å; F445-L464 HydrophobicContact CD1-CB 3.57Å; F445-L464 HydrophobicContact CD1-CD1 4.26Å; F445-L464 HydrophobicContact CE1-CB 4.18Å; F445-L464 HydrophobicContact CG-CB 3.94Å; F445-Y465 HydrophobicContact CD2-CD2 4.4Å; F445-Y465 HydrophobicContact CE2-CD2 4.04Å; F445-A468 HydrophobicContact CE1-CB 4.22Å; F445-A468 HydrophobicContact CE2-CB 4.47Å; F445-A468 HydrophobicContact CZ-CB 3.63Å
446	Q	84.3	Confident	83.5	Confident	64 Å²	64	55.6 Å²	55.6	30%	0.299	30%	0.298	S	S	.	.			trans	-71.8	144.6	176.5	-63.7	-64	-25.6	0	0	110.5	D443 L444 T448 S449	D443-Q446 WeakPolarHBondContact O-CG 3.43Å; L444-Q446 PolarHBondContact O-N 2.93Å; L444-Q446 VanDerWaalsContact O-N 3.12Å; Q446-T448 PolarHBondContact O-N 3.33Å; Q446-S449 WeakPolarHBondContact O-CB 3.27Å; Q446-S449 PolarHBondContact O-N 2.79Å
447	P	81.6	Confident	84.5	Confident	60 Å²	60	58.2 Å²	58.2	39%	0.39	31%	0.312	S	S	.	.	H	α-helix	trans	-53.8	-33.4	-174.3	-29.8	36	0	0	0	115	S449 L450	P447-S449 PolarHBondContact O-N 3.05Å; P447-S449 VanDerWaalsContact O-N 3.15Å; P447-L450 PolarHBondContact O-N 2.65Å
448	T	81.2	Confident	85.3	Confident	107 Å²	107	57.7 Å²	57.7	66%	0.656	33%	0.331	S	S	*	.	H	α-helix	trans	-61.5	-20.7	176.6	48.7	0	0	0	0	114.4	Q446	Q446-T448 PolarHBondContact O-N 3.33Å
449	S	81.6	Confident	86.2	Confident	38 Å²	38	57.8 Å²	57.8	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-91.6	-20.5	174.7	-61.8	0	0	0	0	112.5	F285 L444 Q446 P447	F285-S449 WeakPolarHBondContact CE2-O 3.18Å; L444-S449 WeakPolarHBondContact O-CB 3.34Å; Q446-S449 WeakPolarHBondContact O-CB 3.27Å; Q446-S449 PolarHBondContact O-N 2.79Å; P447-S449 PolarHBondContact O-N 3.05Å; P447-S449 VanDerWaalsContact O-N 3.15Å
450	L	86.3	Confident	86.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-88.4	-1.8	-175.1	-59.5	176.6	0	0	0	113.9	F285 P447 R452 Y453 L456 E457 L464	F285-L450 HydrophobicContact CD2-CD2 4.12Å; F285-L450 HydrophobicContact CE1-CD2 4.2Å; F285-L450 HydrophobicContact CE2-CD2 3.8Å; F285-L450 HydrophobicContact CG-CD2 4.47Å; F285-L450 HydrophobicContact CZ-CD2 3.83Å; P447-L450 PolarHBondContact O-N 2.65Å; L450-R452 PolarHBondContact O-N 3.47Å; L450-Y453 CarbonylContact O-C 3.45Å; L450-Y453 WeakPolarHBondContact O-CA 3.37Å; L450-Y453 PolarHBondContact O-N 2.98Å; L450-L456 HydrophobicContact CD1-CB 4.5Å; L450-L456 HydrophobicContact CD2-CB 4.09Å; L450-L456 HydrophobicContact CD2-CD1 4.21Å; L450-E457 HydrophobicContact CB-CB 4.36Å; L450-L464 HydrophobicContact CD1-CD1 3.55Å; L450-L464 HydrophobicContact CD2-CD1 4.29Å
451	V	82.1	Confident	86.9	Confident	101 Å²	101	59.2 Å²	59.2	61%	0.612	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.5	-175.9	-178	0	0	0	0	113.9	Y453	V451-Y453 VanDerWaalsContact C-N 3.35Å
452	R	82.7	Confident	86.9	Confident	182 Å²	182	57.9 Å²	57.9	69%	0.687	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.3	175.2	-70.7	-175.8	172.7	-145.8	-7.5	114.1	L450	L450-R452 PolarHBondContact O-N 3.47Å
453	Y	89.9	Confident	87	Confident	21 Å²	21	58.6 Å²	58.6	8%	0.082	32%	0.323	C	S	.	.			trans	-132.1	69.9	-170.4	-58.7	-83.5	0	0	0	110.5	D281 H284 F285 D288 L450 V451 R455 L456 E457	D281-Y453 HydrophobicContact CB-CD1 3.98Å; H284-Y453 HydrophobicContact CB-CE1 3.79Å; H284-Y453 PolarHBondContact O-OH 2.91Å; F285-Y453 HydrophobicContact CB-CD1 4.32Å; F285-Y453 HydrophobicContact CB-CD2 3.98Å; F285-Y453 HydrophobicContact CB-CE1 4.19Å; F285-Y453 HydrophobicContact CB-CE2 3.85Å; F285-Y453 HydrophobicContact CB-CG 4.22Å; F285-Y453 AromaticContact CD2-CD2 3.65Å; F285-Y453 HydrophobicContact CD2-CD2 3.65Å; F285-Y453 AromaticContact CD2-CE2 3.69Å; F285-Y453 HydrophobicContact CD2-CE2 3.69Å; F285-Y453 HydrophobicContact CG-CD2 4.26Å; F285-Y453 HydrophobicContact CG-CE2 4.28Å; D288-Y453 PolarHBondContact OD2-OH 3.39Å; L450-Y453 CarbonylContact O-C 3.45Å; L450-Y453 WeakPolarHBondContact O-CA 3.37Å; L450-Y453 PolarHBondContact O-N 2.98Å; V451-Y453 VanDerWaalsContact C-N 3.35Å; Y453-R455 PolarHBondContact O-N 2.89Å; Y453-L456 HydrophobicContact CG-CD1 4.25Å; Y453-L456 WeakPolarHBondContact O-CB 3.35Å; Y453-L456 PolarHBondContact O-N 2.89Å; Y453-E457 PolarHBondContact O-N 2.98Å
454	P	88.5	Confident	87.4	Confident	95 Å²	95	56.7 Å²	56.7	62%	0.617	31%	0.313	S	S	*	.	H	α-helix	trans	-63.8	-16.9	-171.7	25	-35.3	0	0	0	114.4	L456	P454-L456 VanDerWaalsContact C-N 3.26Å; P454-L456 PolarHBondContact O-N 3.37Å
455	R	91.8	Very high	87.8	Confident	136 Å²	136	56.4 Å²	56.4	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-72.5	-17.4	170.4	-67.3	-178.5	-78.7	-113.5	1.8	113.3	D281 Y453	D281-R455 VanDerWaalsContact CG-NH2 3.28Å; D281-R455 IonicContact OD1-CZ 3.76Å; D281-R455 IonicContact OD1-NE 2.72Å; D281-R455 IonicContact OD1-NH2 3.21Å; D281-R455 PolarHBondContact OD1-NH2 3.02Å; D281-R455 WeakPolarHBondContact OD2-CB 3.38Å; D281-R455 IonicContact OD2-CZ 3.73Å; D281-R455 VanDerWaalsContact OD2-CZ 3.31Å; D281-R455 IonicContact OD2-NE 2.7Å; D281-R455 PolarHBondContact OD2-NE 2.93Å; D281-R455 IonicContact OD2-NH2 2.67Å; D281-R455 PolarHBondContact OD2-NH2 3.22Å; D281-R455 VanDerWaalsContact OD2-NH2 3.16Å; Y453-R455 PolarHBondContact O-N 2.89Å
456	L	93.8	Very high	88	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-97.9	-34.1	178.8	-54	-176.1	0	0	0	112.6	W274 D281 L282 F285 L450 Y453 P454 G458 T459 L464	W274-L456 HydrophobicContact CH2-CD2 3.79Å; W274-L456 HydrophobicContact CZ3-CD2 4.18Å; D281-L456 HydrophobicContact CB-CD1 4.17Å; D281-L456 HydrophobicContact CB-CD2 4.16Å; D281-L456 HydrophobicContact CB-CG 4.06Å; L282-L456 HydrophobicContact CB-CD1 4.44Å; L282-L456 HydrophobicContact CB-CD2 4.31Å; L282-L456 HydrophobicContact CD1-CD1 4.35Å; F285-L456 HydrophobicContact CB-CD1 4.14Å; F285-L456 HydrophobicContact CG-CD1 4.41Å; L450-L456 HydrophobicContact CD1-CB 4.5Å; L450-L456 HydrophobicContact CD2-CB 4.09Å; L450-L456 HydrophobicContact CD2-CD1 4.21Å; Y453-L456 HydrophobicContact CG-CD1 4.25Å; Y453-L456 WeakPolarHBondContact O-CB 3.35Å; Y453-L456 PolarHBondContact O-N 2.89Å; P454-L456 VanDerWaalsContact C-N 3.26Å; P454-L456 PolarHBondContact O-N 3.37Å; L456-G458 PolarHBondContact O-N 3.46Å; L456-G458 VanDerWaalsContact O-N 3.1Å; L456-T459 VanDerWaalsContact O-CB 3.32Å; L456-T459 WeakPolarHBondContact O-CB 3.5Å; L456-T459 PolarHBondContact O-N 3.33Å; L456-T459 PolarHBondContact O-OG1 2.82Å; L456-L464 HydrophobicContact CB-CD1 4.36Å; L456-L464 HydrophobicContact CB-CD2 4.33Å; L456-L464 HydrophobicContact CD2-CD2 4.05Å
457	E	88.1	Confident	88.5	Confident	100 Å²	100	54.8 Å²	54.8	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-53.5	-33.9	-171.8	-172	178.2	-164.8	0	0	114.4	L450 Y453 T459	L450-E457 HydrophobicContact CB-CB 4.36Å; Y453-E457 PolarHBondContact O-N 2.98Å; E457-T459 VanDerWaalsContact C-N 3.31Å; E457-T459 PolarHBondContact O-N 3.38Å
458	G	85.3	Confident	89.1	Confident	82 Å²	82	51.9 Å²	51.9	85%	0.845	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.7	176.4	0	0	0	0	0	115.9	L456	L456-G458 PolarHBondContact O-N 3.46Å; L456-G458 VanDerWaalsContact O-N 3.1Å
459	T	90.8	Very high	89.8	Confident	24 Å²	24	48 Å²	48	15%	0.147	26%	0.258	C	S	.	.	S	Bend	trans	-102.2	141.9	-178	-53.6	0	0	0	0	111	P271 W274 L456 E457 V463 L464	P271-T459 HydrophobicContact CG-CG2 4.39Å; W274-T459 HydrophobicContact CZ3-CG2 4.2Å; L456-T459 VanDerWaalsContact O-CB 3.32Å; L456-T459 WeakPolarHBondContact O-CB 3.5Å; L456-T459 PolarHBondContact O-N 3.33Å; L456-T459 PolarHBondContact O-OG1 2.82Å; E457-T459 VanDerWaalsContact C-N 3.31Å; E457-T459 PolarHBondContact O-N 3.38Å; T459-V463 HydrophobicContact CG2-CB 4.08Å; T459-V463 HydrophobicContact CG2-CG1 3.97Å; T459-L464 HydrophobicContact CG2-CD2 3.78Å; T459-L464 HydrophobicContact CG2-CG 3.85Å
460	D	88.8	Confident	90.4	Very high	73 Å²	73	46.2 Å²	46.2	39%	0.39	25%	0.246	S	C	.	.			trans	-59.1	130.7	176.4	-173.2	-71.3	0	0	0	111.6	E462 V463 L464	D460-E462 PolarHBondContact O-N 3.48Å; D460-E462 WeakPolarHBondContact OD1-CA 3.41Å; D460-E462 WeakPolarHBondContact OD1-CB 3.39Å; D460-E462 PolarHBondContact OD1-N 3.23Å; D460-V463 HydrophobicContact CB-CB 4.42Å; D460-V463 HydrophobicContact CB-CG2 4.1Å; D460-V463 WeakPolarHBondContact O-CA 3.39Å; D460-V463 WeakPolarHBondContact O-CB 3.09Å; D460-V463 PolarHBondContact O-N 3.25Å; D460-L464 PolarHBondContact O-N 2.96Å
461	P	89.3	Confident	90.9	Very high	21 Å²	21	46.1 Å²	46.1	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-55.4	-31.6	-179.4	-29.3	36.8	0	0	0	114.9	V135 F445 L464 Y465	V135-P461 HydrophobicContact CG2-CG 4.33Å; F445-P461 HydrophobicContact CB-CB 3.98Å; F445-P461 WeakPolarHBondContact O-CB 3.42Å; F445-P461 WeakPolarHBondContact O-CG 3.43Å; P461-L464 PolarHBondContact O-N 3.15Å; P461-Y465 VanDerWaalsContact O-CB 3.32Å; P461-Y465 WeakPolarHBondContact O-CB 3.24Å; P461-Y465 PolarHBondContact O-N 2.91Å
462	E	87.4	Confident	91.4	Very high	32 Å²	32	44.2 Å²	44.2	15%	0.15	23%	0.23	C	C	.	.	H	α-helix	trans	-70	-34.2	176.9	-166.7	-174.7	-141.2	0	0	111.4	L133 D460 R466	L133-E462 HydrophobicContact CD2-CG 4.1Å; D460-E462 PolarHBondContact O-N 3.48Å; D460-E462 WeakPolarHBondContact OD1-CA 3.41Å; D460-E462 WeakPolarHBondContact OD1-CB 3.39Å; D460-E462 PolarHBondContact OD1-N 3.23Å; E462-R466 WeakPolarHBondContact O-CB 3.42Å; E462-R466 VanDerWaalsContact O-CG 3.3Å; E462-R466 WeakPolarHBondContact O-CG 3.44Å; E462-R466 PolarHBondContact O-N 3.22Å; E462-R466 IonicContact OE1-CZ 3.26Å; E462-R466 IonicContact OE1-NH1 2.77Å; E462-R466 IonicContact OE1-NH2 2.76Å; E462-R466 PolarHBondContact OE1-NH2 3.21Å; E462-R466 IonicContact OE2-CZ 3.79Å; E462-R466 IonicContact OE2-NH1 3.74Å; E462-R466 PolarHBondContact OE2-NH1 3.47Å; E462-R466 IonicContact OE2-NH2 2.77Å; E462-R466 PolarHBondContact OE2-NH2 3.12Å
463	V	92.5	Very high	92	Very high	26 Å²	26	37.6 Å²	37.6	16%	0.158	21%	0.205	C	C	.	.	H	α-helix	trans	-70.9	-43.7	174.3	176.3	0	0	0	0	110.6	Y269 P271 T459 D460 R466 R467	Y269-V463 HydrophobicContact CD1-CG1 4Å; Y269-V463 HydrophobicContact CD1-CG2 4.06Å; Y269-V463 HydrophobicContact CE1-CG1 4.22Å; Y269-V463 HydrophobicContact CE1-CG2 4.14Å; P271-V463 HydrophobicContact CG-CG1 4.07Å; T459-V463 HydrophobicContact CG2-CB 4.08Å; T459-V463 HydrophobicContact CG2-CG1 3.97Å; D460-V463 HydrophobicContact CB-CB 4.42Å; D460-V463 HydrophobicContact CB-CG2 4.1Å; D460-V463 WeakPolarHBondContact O-CA 3.39Å; D460-V463 WeakPolarHBondContact O-CB 3.09Å; D460-V463 PolarHBondContact O-N 3.25Å; V463-R466 PolarHBondContact O-N 2.71Å; V463-R467 WeakPolarHBondContact O-CB 3.04Å; V463-R467 PolarHBondContact O-N 2.78Å
464	L	94	Very high	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-46.7	174.6	-66.7	176.8	0	0	0	111.5	W274 F445 L450 L456 T459 D460 P461 R467 A468	W274-L464 HydrophobicContact CH2-CD2 3.71Å; W274-L464 HydrophobicContact CZ3-CD2 3.77Å; F445-L464 HydrophobicContact CB-CB 4.21Å; F445-L464 HydrophobicContact CB-CD1 4.41Å; F445-L464 HydrophobicContact CD1-CB 3.57Å; F445-L464 HydrophobicContact CD1-CD1 4.26Å; F445-L464 HydrophobicContact CE1-CB 4.18Å; F445-L464 HydrophobicContact CG-CB 3.94Å; L450-L464 HydrophobicContact CD1-CD1 3.55Å; L450-L464 HydrophobicContact CD2-CD1 4.29Å; L456-L464 HydrophobicContact CB-CD1 4.36Å; L456-L464 HydrophobicContact CB-CD2 4.33Å; L456-L464 HydrophobicContact CD2-CD2 4.05Å; T459-L464 HydrophobicContact CG2-CD2 3.78Å; T459-L464 HydrophobicContact CG2-CG 3.85Å; D460-L464 PolarHBondContact O-N 2.96Å; P461-L464 PolarHBondContact O-N 3.15Å; L464-R467 PolarHBondContact O-N 3.23Å; L464-A468 VanDerWaalsContact O-CB 3.26Å; L464-A468 WeakPolarHBondContact O-CB 3.43Å; L464-A468 PolarHBondContact O-N 2.98Å
465	Y	93.6	Very high	92.5	Very high	21 Å²	21	32.6 Å²	32.6	8%	0.082	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-51	174.5	173.1	-104.6	0	0	0	112.1	L171 C172 L440 A442 F445 P461 R467 A468 V469	L171-Y465 HydrophobicContact CD1-CD1 4.18Å; L171-Y465 HydrophobicContact CD1-CE1 3.63Å; C172-Y465 PolarHBondContact N-OH 2.87Å; C172-Y465 VanDerWaalsContact N-OH 3.17Å; L440-Y465 HydrophobicContact CB-CE2 4.07Å; L440-Y465 HydrophobicContact CD2-CD2 3.77Å; L440-Y465 HydrophobicContact CD2-CE2 3.98Å; L440-Y465 HydrophobicContact CG-CD2 3.97Å; L440-Y465 HydrophobicContact CG-CE2 3.92Å; L440-Y465 WeakPolarHBondContact O-CE2 3.27Å; A442-Y465 HydrophobicContact CB-CD1 4.5Å; A442-Y465 HydrophobicContact CB-CD2 3.69Å; A442-Y465 HydrophobicContact CB-CE2 3.98Å; A442-Y465 HydrophobicContact CB-CG 3.97Å; F445-Y465 HydrophobicContact CD2-CD2 4.4Å; F445-Y465 HydrophobicContact CE2-CD2 4.04Å; P461-Y465 VanDerWaalsContact O-CB 3.32Å; P461-Y465 WeakPolarHBondContact O-CB 3.24Å; P461-Y465 PolarHBondContact O-N 2.91Å; Y465-R467 PolarHBondContact O-N 3.09Å; Y465-A468 PolarHBondContact O-N 2.86Å; Y465-V469 HydrophobicContact CD2-CG2 4.42Å; Y465-V469 HydrophobicContact CE1-CG2 4.11Å; Y465-V469 HydrophobicContact CE2-CG2 3.99Å; Y465-V469 WeakPolarHBondContact O-CG2 3.1Å; Y465-V469 PolarHBondContact O-N 3.32Å
466	R	93.8	Very high	92.5	Very high	22 Å²	22	31.6 Å²	31.6	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-40.8	179.7	-77.3	-175.7	-177.3	121	9.7	112.6	E169 R266 L267 E462 V463 V469 L470	E169-R466 IonicContact OE1-NH2 2.87Å; R266-R466 VanDerWaalsContact NH1-NH2 3.11Å; R266-R466 VanDerWaalsContact O-CD 3.28Å; R266-R466 WeakPolarHBondContact O-CD 3.46Å; L267-R466 HydrophobicContact CD2-CB 4.08Å; L267-R466 HydrophobicContact CD2-CG 4.13Å; E462-R466 WeakPolarHBondContact O-CB 3.42Å; E462-R466 VanDerWaalsContact O-CG 3.3Å; E462-R466 WeakPolarHBondContact O-CG 3.44Å; E462-R466 PolarHBondContact O-N 3.22Å; E462-R466 IonicContact OE1-CZ 3.26Å; E462-R466 IonicContact OE1-NH1 2.77Å; E462-R466 IonicContact OE1-NH2 2.76Å; E462-R466 PolarHBondContact OE1-NH2 3.21Å; E462-R466 IonicContact OE2-CZ 3.79Å; E462-R466 IonicContact OE2-NH1 3.74Å; E462-R466 PolarHBondContact OE2-NH1 3.47Å; E462-R466 IonicContact OE2-NH2 2.77Å; E462-R466 PolarHBondContact OE2-NH2 3.12Å; V463-R466 PolarHBondContact O-N 2.71Å; R466-V469 PolarHBondContact O-N 3Å; R466-L470 PolarHBondContact O-N 3.27Å
467	R	95.4	Very high	92.4	Very high	8 Å²	8	31.8 Å²	31.8	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-47.3	175.4	-171.6	62.9	175.1	-172.3	-3.3	110.7	R94 V270 W274 D279 L282 V463 L464 Y465 V469 L470 L471	R94-R467 PolarHBondContact O-NH1 3.35Å; R94-R467 PolarHBondContact O-NH2 2.91Å; V270-R467 VanDerWaalsContact CG2-NH1 3.35Å; W274-R467 HydrophobicContact CZ2-CG 3.91Å; D279-R467 IonicContact OD1-CZ 3.52Å; D279-R467 IonicContact OD1-NE 2.82Å; D279-R467 PolarHBondContact OD1-NE 3.03Å; D279-R467 IonicContact OD1-NH2 2.79Å; D279-R467 PolarHBondContact OD1-NH2 3.35Å; D279-R467 IonicContact OD2-CZ 3.55Å; D279-R467 IonicContact OD2-NE 3.44Å; D279-R467 IonicContact OD2-NH2 2.71Å; D279-R467 PolarHBondContact OD2-NH2 3.1Å; L282-R467 HydrophobicContact CD2-CB 3.89Å; L282-R467 HydrophobicContact CD2-CG 3.67Å; V463-R467 WeakPolarHBondContact O-CB 3.04Å; V463-R467 PolarHBondContact O-N 2.78Å; L464-R467 PolarHBondContact O-N 3.23Å; Y465-R467 PolarHBondContact O-N 3.09Å; R467-V469 VanDerWaalsContact C-N 3.34Å; R467-V469 PolarHBondContact O-N 3.36Å; R467-L470 PolarHBondContact O-N 2.96Å; R467-L471 WeakPolarHBondContact O-CG 3.4Å; R467-L471 PolarHBondContact O-N 2.91Å
468	A	95.5	Very high	92.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-37.4	177.4	0	0	0	0	0	113.2	L282 L286 L440 F445 L464 Y465 L471 Q472	L282-A468 HydrophobicContact CD1-CB 4.32Å; L282-A468 HydrophobicContact CD2-CB 4.27Å; L282-A468 HydrophobicContact CG-CB 4.44Å; L286-A468 HydrophobicContact CD1-CB 3.89Å; L286-A468 HydrophobicContact CD2-CB 4.29Å; L440-A468 HydrophobicContact CD2-CB 3.46Å; L440-A468 VanDerWaalsContact CD2-CB 3.46Å; F445-A468 HydrophobicContact CE1-CB 4.22Å; F445-A468 HydrophobicContact CE2-CB 4.47Å; F445-A468 HydrophobicContact CZ-CB 3.63Å; L464-A468 VanDerWaalsContact O-CB 3.26Å; L464-A468 WeakPolarHBondContact O-CB 3.43Å; L464-A468 PolarHBondContact O-N 2.98Å; Y465-A468 PolarHBondContact O-N 2.86Å; A468-L471 PolarHBondContact O-N 3.22Å; A468-Q472 WeakPolarHBondContact O-CG 3.35Å; A468-Q472 PolarHBondContact O-N 3.08Å
469	V	94	Very high	92.7	Very high	25 Å²	25	24 Å²	24	15%	0.152	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-45.5	171	169	0	0	0	0	110.9	L267 L440 Y465 R466 R467 L471 Q472 R473	L267-V469 HydrophobicContact CD2-CG1 4.47Å; L440-V469 HydrophobicContact CD2-CG2 4.08Å; Y465-V469 HydrophobicContact CD2-CG2 4.42Å; Y465-V469 HydrophobicContact CE1-CG2 4.11Å; Y465-V469 HydrophobicContact CE2-CG2 3.99Å; Y465-V469 WeakPolarHBondContact O-CG2 3.1Å; Y465-V469 PolarHBondContact O-N 3.32Å; R466-V469 PolarHBondContact O-N 3Å; R467-V469 VanDerWaalsContact C-N 3.34Å; R467-V469 PolarHBondContact O-N 3.36Å; V469-L471 PolarHBondContact O-N 3.4Å; V469-Q472 PolarHBondContact O-N 3.34Å; V469-R473 WeakPolarHBondContact O-CG 3.32Å; V469-R473 PolarHBondContact O-N 3.08Å
470	L	95.9	Very high	92.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.1	-36.8	175.1	-68.7	-165.8	0	0	0	112.8	L96 L100 A101 L267 L268 R466 R467 R473 F474	L96-L470 HydrophobicContact CB-CD1 4.41Å; L96-L470 HydrophobicContact CD1-CB 3.86Å; L96-L470 HydrophobicContact CD1-CD1 4.4Å; L100-L470 HydrophobicContact CD2-CB 4.38Å; L100-L470 WeakPolarHBondContact CD2-O 3.39Å; L100-L470 HydrophobicContact CG-CD2 4.43Å; A101-L470 HydrophobicContact CB-CD1 4.29Å; A101-L470 HydrophobicContact CB-CD2 3.98Å; L267-L470 HydrophobicContact CB-CD1 4.29Å; L267-L470 HydrophobicContact CB-CD2 4.24Å; L267-L470 HydrophobicContact CB-CG 4.35Å; L267-L470 HydrophobicContact CD1-CD2 4.46Å; L267-L470 HydrophobicContact CD2-CD2 4.24Å; L267-L470 HydrophobicContact CD2-CG 4.35Å; L267-L470 WeakPolarHBondContact O-CD1 3.47Å; L268-L470 HydrophobicContact CD2-CD1 4.29Å; R466-L470 PolarHBondContact O-N 3.27Å; R467-L470 PolarHBondContact O-N 2.96Å; L470-R473 PolarHBondContact O-N 2.81Å; L470-F474 PolarHBondContact O-N 3.31Å
471	L	96	Very high	92.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-45.8	174.4	-62.8	-169.7	0	0	0	111.1	L90 L96 D279 L282 I283 R467 A468 V469 R473 F474 I475 F505	L90-L471 HydrophobicContact CD2-CD2 3.82Å; L96-L471 HydrophobicContact CD1-CD2 4.13Å; D279-L471 HydrophobicContact CB-CD1 4.48Å; L282-L471 HydrophobicContact CB-CD1 4.44Å; L282-L471 HydrophobicContact CD2-CD1 3.87Å; L282-L471 HydrophobicContact CG-CD1 4.17Å; I283-L471 HydrophobicContact CD1-CB 4.34Å; I283-L471 HydrophobicContact CD1-CD1 3.92Å; I283-L471 HydrophobicContact CG1-CD1 4.07Å; R467-L471 WeakPolarHBondContact O-CG 3.4Å; R467-L471 PolarHBondContact O-N 2.91Å; A468-L471 PolarHBondContact O-N 3.22Å; V469-L471 PolarHBondContact O-N 3.4Å; L471-R473 VanDerWaalsContact C-N 3.31Å; L471-R473 PolarHBondContact O-N 3.34Å; L471-F474 WeakPolarHBondContact O-CA 3.34Å; L471-F474 WeakPolarHBondContact O-CB 3.21Å; L471-F474 PolarHBondContact O-N 3.3Å; L471-F474 VanDerWaalsContact O-N 3.08Å; L471-I475 WeakPolarHBondContact O-CG1 3.42Å; L471-I475 PolarHBondContact O-N 3.36Å; L471-F505 HydrophobicContact CD1-CE1 4.28Å; L471-F505 HydrophobicContact CD2-CD1 4.45Å; L471-F505 HydrophobicContact CD2-CE1 3.89Å
472	Q	92.9	Very high	92.2	Very high	61 Å²	61	20.1 Å²	20.1	29%	0.285	10%	0.097	S	C	.	.	H	α-helix	trans	-59.3	-39.3	173.7	-73.4	-175	-19.3	0	0	112.7	A468 V469 I475 K476	A468-Q472 WeakPolarHBondContact O-CG 3.35Å; A468-Q472 PolarHBondContact O-N 3.08Å; V469-Q472 PolarHBondContact O-N 3.34Å; Q472-I475 PolarHBondContact O-N 3.07Å; Q472-K476 PolarHBondContact O-N 2.84Å
473	R	94.9	Very high	91.9	Very high	42 Å²	42	22.2 Å²	22.2	16%	0.158	11%	0.106	C	C	.	.	H	α-helix	trans	-62.5	-41.4	172.9	-68.1	-175.5	-178.2	-162.6	-2.3	111.7	L100 F102 W238 V469 L470 L471 K476 I477	L100-R473 HydrophobicContact CD1-CB 3.6Å; L100-R473 HydrophobicContact CD2-CB 4.42Å; L100-R473 HydrophobicContact CG-CB 3.87Å; L100-R473 WeakPolarHBondContact O-CD 3.16Å; L100-R473 PolarHBondContact O-NH1 3.33Å; F102-R473 PolarHBondContact O-NH1 2.96Å; W238-R473 VanDerWaalsContact CD1-CZ 3.44Å; W238-R473 HydrophobicContact CD2-CB 4.34Å; W238-R473 HydrophobicContact CD2-CG 4.03Å; W238-R473 HydrophobicContact CE3-CB 4.19Å; W238-R473 HydrophobicContact CE3-CG 4.39Å; W238-R473 HydrophobicContact CH2-CB 3.56Å; W238-R473 HydrophobicContact CH2-CG 3.94Å; W238-R473 WeakPolarHBondContact CH2-O 3.23Å; W238-R473 HydrophobicContact CZ2-CB 3.71Å; W238-R473 HydrophobicContact CZ2-CG 3.52Å; W238-R473 HydrophobicContact CZ3-CB 3.81Å; W238-R473 HydrophobicContact CZ3-CG 4.35Å; V469-R473 WeakPolarHBondContact O-CG 3.32Å; V469-R473 PolarHBondContact O-N 3.08Å; L470-R473 PolarHBondContact O-N 2.81Å; L471-R473 VanDerWaalsContact C-N 3.31Å; L471-R473 PolarHBondContact O-N 3.34Å; R473-K476 PolarHBondContact O-N 2.87Å; R473-I477 PolarHBondContact O-N 2.67Å
474	F	95.7	Very high	91.3	Very high	1 Å²	1	24 Å²	24	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-47.2	175	165.5	-98.4	0	0	0	111.9	F82 L83 A86 L90 L100 L470 L471 K476 I477 L478 V502 F505	F82-F474 HydrophobicContact CE1-CD2 4.17Å; F82-F474 HydrophobicContact CZ-CD2 4.36Å; L83-F474 HydrophobicContact CD2-CD2 3.84Å; L83-F474 HydrophobicContact CD2-CE2 3.44Å; L83-F474 VanDerWaalsContact CD2-CE2 3.44Å; L83-F474 HydrophobicContact CD2-CZ 4.12Å; A86-F474 HydrophobicContact CB-CD2 3.65Å; A86-F474 HydrophobicContact CB-CE2 3.65Å; L90-F474 HydrophobicContact CD1-CD1 4.46Å; L90-F474 HydrophobicContact CD1-CE1 4.12Å; L90-F474 HydrophobicContact CD1-CE2 4.38Å; L90-F474 HydrophobicContact CD1-CZ 4.08Å; L100-F474 HydrophobicContact CD2-CB 4.12Å; L470-F474 PolarHBondContact O-N 3.31Å; L471-F474 WeakPolarHBondContact O-CA 3.34Å; L471-F474 WeakPolarHBondContact O-CB 3.21Å; L471-F474 PolarHBondContact O-N 3.3Å; L471-F474 VanDerWaalsContact O-N 3.08Å; F474-K476 VanDerWaalsContact C-N 3.32Å; F474-K476 PolarHBondContact O-N 3.24Å; F474-I477 PolarHBondContact O-N 3.36Å; F474-I477 VanDerWaalsContact O-N 3.13Å; F474-L478 HydrophobicContact CE1-CD2 4.25Å; F474-L478 HydrophobicContact CZ-CD2 4.47Å; F474-L478 PolarHBondContact O-N 3.42Å; F474-V502 HydrophobicContact CZ-CB 4.28Å; F474-V502 HydrophobicContact CZ-CG1 4.07Å; F474-V502 HydrophobicContact CZ-CG2 4.2Å; F474-F505 HydrophobicContact CD1-CD1 4.37Å; F474-F505 HydrophobicContact CE1-CB 4.17Å; F474-F505 HydrophobicContact CE1-CD1 4.14Å; F474-F505 HydrophobicContact CE1-CG 4.33Å
475	I	93.4	Very high	90.7	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.051	12%	0.116	C	C	.	.	H	α-helix	trans	-58.3	-42.4	176.7	-63.7	-62.1	0	0	0	111.5	L471 Q472 I477 L478 D479 F505 L508	L471-I475 WeakPolarHBondContact O-CG1 3.42Å; L471-I475 PolarHBondContact O-N 3.36Å; Q472-I475 PolarHBondContact O-N 3.07Å; I475-I477 VanDerWaalsContact C-N 3.27Å; I475-I477 PolarHBondContact O-N 2.72Å; I475-L478 HydrophobicContact CD1-CD2 4.4Å; I475-L478 WeakPolarHBondContact O-CB 3.4Å; I475-L478 PolarHBondContact O-N 2.75Å; I475-L478 VanDerWaalsContact O-N 3.09Å; I475-D479 PolarHBondContact O-N 3.21Å; I475-F505 HydrophobicContact CD1-CB 4Å; I475-F505 WeakPolarHBondContact CD1-O 3.27Å; I475-L508 HydrophobicContact CD1-CB 4.24Å; I475-L508 HydrophobicContact CG1-CB 4.03Å; I475-L508 HydrophobicContact CG2-CB 4.25Å; I475-L508 WeakPolarHBondContact CG2-O 3.25Å
476	K	91.1	Very high	90.1	Very high	116 Å²	116	23.7 Å²	23.7	50%	0.504	11%	0.112	S	C	.	.	H	α-helix	trans	-59.8	-36.3	177.4	-172.7	-178.4	-174.8	179.9	0	112.9	W238 E239 Q472 R473 F474 S480	W238-K476 HydrophobicContact CH2-CB 4.22Å; W238-K476 HydrophobicContact CH2-CD 4.06Å; W238-K476 HydrophobicContact CZ2-CD 3.87Å; E239-K476 IonicContact OE1-NZ 3.68Å; E239-K476 PolarHBondContact OE1-NZ 3.49Å; Q472-K476 PolarHBondContact O-N 2.84Å; R473-K476 PolarHBondContact O-N 2.87Å; F474-K476 VanDerWaalsContact C-N 3.32Å; F474-K476 PolarHBondContact O-N 3.24Å; K476-S480 PolarHBondContact O-N 3.41Å
477	I	92.9	Very high	88.9	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-74	-38.7	174.4	-60.5	-63.5	0	0	0	111.1	R79 F82 L83 W238 R473 F474 I475 S480	R79-I477 HydrophobicContact CB-CG2 3.91Å; R79-I477 HydrophobicContact CG-CG2 3.9Å; F82-I477 HydrophobicContact CD1-CB 4.25Å; F82-I477 HydrophobicContact CD1-CG2 3.58Å; F82-I477 HydrophobicContact CE1-CB 3.95Å; F82-I477 HydrophobicContact CE1-CG1 4.18Å; F82-I477 HydrophobicContact CE1-CG2 3.81Å; L83-I477 HydrophobicContact CD2-CG2 4.2Å; L83-I477 HydrophobicContact CG-CG2 4.31Å; W238-I477 HydrophobicContact CH2-CD1 4.24Å; W238-I477 HydrophobicContact CH2-CG1 4.1Å; W238-I477 HydrophobicContact CZ3-CD1 3.86Å; W238-I477 HydrophobicContact CZ3-CG1 3.71Å; R473-I477 PolarHBondContact O-N 2.67Å; F474-I477 PolarHBondContact O-N 3.36Å; F474-I477 VanDerWaalsContact O-N 3.13Å; I475-I477 VanDerWaalsContact C-N 3.27Å; I475-I477 PolarHBondContact O-N 2.72Å; I477-S480 PolarHBondContact O-N 3.18Å; I477-S480 PolarHBondContact O-OG 3.21Å
478	L	91.3	Very high	87.3	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-52.1	175.5	-178.8	57	0	0	0	111.6	L83 F474 I475 S480 V481 L482 L485 L506	L83-L478 HydrophobicContact CD1-CD1 3.94Å; L83-L478 HydrophobicContact CD2-CB 3.99Å; L83-L478 HydrophobicContact CD2-CD1 4.37Å; F474-L478 HydrophobicContact CE1-CD2 4.25Å; F474-L478 HydrophobicContact CZ-CD2 4.47Å; F474-L478 PolarHBondContact O-N 3.42Å; I475-L478 HydrophobicContact CD1-CD2 4.4Å; I475-L478 WeakPolarHBondContact O-CB 3.4Å; I475-L478 PolarHBondContact O-N 2.75Å; I475-L478 VanDerWaalsContact O-N 3.09Å; L478-S480 VanDerWaalsContact C-N 3.27Å; L478-S480 PolarHBondContact O-N 3Å; L478-V481 CarbonylContact O-C 3.59Å; L478-V481 WeakPolarHBondContact O-CG2 3.35Å; L478-V481 PolarHBondContact O-N 3.16Å; L478-L482 HydrophobicContact CD1-CD1 4.35Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 2.95Å; L478-L485 HydrophobicContact CD1-CD1 4.11Å; L478-L506 HydrophobicContact CD2-CD2 3.88Å
479	D	87.3	Confident	85.7	Confident	18 Å²	18	31.5 Å²	31.5	10%	0.096	15%	0.148	C	C	.	.	H	α-helix	trans	-55.9	-40.2	177.3	-83.6	9	0	0	0	112.3	I475 V481 L482 S509 R510 Q511	I475-D479 PolarHBondContact O-N 3.21Å; D479-V481 PolarHBondContact O-N 2.59Å; D479-V481 VanDerWaalsContact O-N 3.09Å; D479-L482 PolarHBondContact O-N 3.23Å; D479-S509 VanDerWaalsContact OD1-CA 3.3Å; D479-S509 WeakPolarHBondContact OD1-CA 3.17Å; D479-S509 WeakPolarHBondContact OD1-CB 3.44Å; D479-S509 PolarHBondContact OD1-OG 2.7Å; D479-R510 PolarHBondContact OD2-N 3.38Å; D479-Q511 HydrophobicContact CB-CG 3.88Å
480	S	86.6	Confident	84.6	Confident	36 Å²	36	32.4 Å²	32.4	25%	0.252	15%	0.152	S	C	.	.	H	α-helix	trans	-62.6	-17.1	179.8	78.7	0	0	0	0	114.4	R79 K476 I477 L478	R79-S480 WeakPolarHBondContact CD-OG 3.43Å; R79-S480 VanDerWaalsContact NH1-CB 3.29Å; R79-S480 PolarHBondContact NH1-OG 3Å; K476-S480 PolarHBondContact O-N 3.41Å; I477-S480 PolarHBondContact O-N 3.18Å; I477-S480 PolarHBondContact O-OG 3.21Å; L478-S480 VanDerWaalsContact C-N 3.27Å; L478-S480 PolarHBondContact O-N 3Å
481	V	86.9	Confident	83.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-126.1	-2.9	178.9	-54.1	0	0	0	0	113.9	L76 R79 L83 L478 D479 H483 H484 L485	L76-V481 HydrophobicContact CD1-CB 3.8Å; L76-V481 HydrophobicContact CD1-CG1 3.48Å; L76-V481 VanDerWaalsContact CD1-CG1 3.48Å; R79-V481 HydrophobicContact CB-CG1 3.82Å; L83-V481 HydrophobicContact CD1-CG2 3.41Å; L83-V481 VanDerWaalsContact CD1-CG2 3.41Å; L478-V481 CarbonylContact O-C 3.59Å; L478-V481 WeakPolarHBondContact O-CG2 3.35Å; L478-V481 PolarHBondContact O-N 3.16Å; D479-V481 PolarHBondContact O-N 2.59Å; D479-V481 VanDerWaalsContact O-N 3.09Å; V481-H483 VanDerWaalsContact C-N 3.28Å; V481-H483 PolarHBondContact O-N 2.73Å; V481-H484 WeakPolarHBondContact O-CA 3.04Å; V481-H484 WeakPolarHBondContact O-CB 3.3Å; V481-H484 PolarHBondContact O-N 2.76Å; V481-L485 HydrophobicContact CG2-CD1 3.76Å; V481-L485 HydrophobicContact CG2-CG 4.11Å; V481-L485 WeakPolarHBondContact O-CG 3.42Å; V481-L485 PolarHBondContact O-N 3.19Å
482	L	85.4	Confident	81.7	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-40.1	-170.6	-173.7	61.9	0	0	0	112.6	L478 D479 H484 L485 V486 I499 L506 S509 Q511 R512 L515 L793	L478-L482 HydrophobicContact CD1-CD1 4.35Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 2.95Å; D479-L482 PolarHBondContact O-N 3.23Å; L482-H484 PolarHBondContact O-N 3.04Å; L482-L485 PolarHBondContact O-N 3.14Å; L482-L485 VanDerWaalsContact O-N 3.09Å; L482-V486 HydrophobicContact CD1-CG2 4.3Å; L482-V486 PolarHBondContact O-N 3.23Å; L482-I499 HydrophobicContact CD1-CD1 3.87Å; L482-L506 HydrophobicContact CD1-CD2 4.07Å; L482-L506 HydrophobicContact CD2-CD2 4.48Å; L482-S509 WeakPolarHBondContact CD2-OG 3.12Å; L482-Q511 HydrophobicContact CD2-CB 4.39Å; L482-R512 HydrophobicContact CD2-CB 4.06Å; L482-L515 HydrophobicContact CB-CD1 4.24Å; L482-L515 HydrophobicContact CD2-CD1 3.88Å; L482-L515 HydrophobicContact CG-CD1 3.73Å; L482-L793 HydrophobicContact CD1-CD2 3.99Å; L482-L793 HydrophobicContact CD2-CD2 4.17Å; L482-L793 HydrophobicContact CG-CD2 4.27Å
483	H	81.3	Confident	80.3	Confident	76 Å²	76	38.9 Å²	38.9	35%	0.352	19%	0.19	S	C	.	.	H	α-helix	trans	-68.4	-13.9	176.1	67	-83.5	0	0	0	114.4	V481 L515	V481-H483 VanDerWaalsContact C-N 3.28Å; V481-H483 PolarHBondContact O-N 2.73Å; H483-L515 HydrophobicContact CB-CD1 4.3Å; H483-L515 HydrophobicContact CB-CD2 3.99Å
484	H	80.1	Confident	78.4	Confident	63 Å²	63	39.7 Å²	39.7	29%	0.292	21%	0.212	S	C	.	.	H	α-helix	trans	-94.3	-25.4	168.9	-60.5	-57	0	0	0	112.7	L76 V481 L482	L76-H484 HydrophobicContact CD1-CB 4.14Å; L76-H484 WeakPolarHBondContact CD1-CD2 3.49Å; L76-H484 HydrophobicContact CD2-CB 4.36Å; V481-H484 WeakPolarHBondContact O-CA 3.04Å; V481-H484 WeakPolarHBondContact O-CB 3.3Å; V481-H484 PolarHBondContact O-N 2.76Å; L482-H484 PolarHBondContact O-N 3.04Å
485	L	81.1	Confident	76.8	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.073	22%	0.217	C	C	.	.	H	α-helix	trans	-81.4	-26.4	175.5	-61.7	178.9	0	0	0	112.4	V80 L83 L478 V481 L482 F496 I499	V80-L485 HydrophobicContact CG1-CD2 4.12Å; V80-L485 HydrophobicContact CG2-CD2 3.84Å; L83-L485 HydrophobicContact CD1-CD1 4.18Å; L478-L485 HydrophobicContact CD1-CD1 4.11Å; V481-L485 HydrophobicContact CG2-CD1 3.76Å; V481-L485 HydrophobicContact CG2-CG 4.11Å; V481-L485 WeakPolarHBondContact O-CG 3.42Å; V481-L485 PolarHBondContact O-N 3.19Å; L482-L485 PolarHBondContact O-N 3.14Å; L482-L485 VanDerWaalsContact O-N 3.09Å; L485-F496 HydrophobicContact CB-CB 4.18Å; L485-F496 HydrophobicContact CD1-CD1 3.71Å; L485-F496 HydrophobicContact CD1-CE1 4.05Å; L485-F496 HydrophobicContact CD1-CG 4.48Å; L485-F496 HydrophobicContact CD2-CB 3.84Å; L485-F496 HydrophobicContact CD2-CD1 3.75Å; L485-F496 HydrophobicContact CD2-CD2 4.26Å; L485-F496 HydrophobicContact CD2-CE1 4.24Å; L485-F496 HydrophobicContact CD2-CG 3.73Å; L485-F496 HydrophobicContact CG-CB 4.46Å; L485-F496 HydrophobicContact CG-CD1 4.23Å; L485-I499 HydrophobicContact CB-CD1 3.69Å; L485-I499 HydrophobicContact CD1-CD1 3.96Å; L485-I499 HydrophobicContact CD1-CG1 4.44Å; L485-I499 HydrophobicContact CG-CD1 4.48Å
486	V	79.7	Confident	75.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-132	84.1	176.8	-169	0	0	0	0	108.1	L482 A488 T495 I499 A789 L793	L482-V486 HydrophobicContact CD1-CG2 4.3Å; L482-V486 PolarHBondContact O-N 3.23Å; V486-A488 PolarHBondContact O-N 3.13Å; V486-T495 HydrophobicContact CB-CG2 4.23Å; V486-T495 HydrophobicContact CG1-CG2 3.92Å; V486-T495 HydrophobicContact CG2-CG2 3.8Å; V486-I499 HydrophobicContact CG2-CD1 3.79Å; V486-A789 HydrophobicContact CG1-CB 3.54Å; V486-L793 HydrophobicContact CB-CD1 4.43Å; V486-L793 HydrophobicContact CB-CD2 4.46Å; V486-L793 HydrophobicContact CG1-CD1 3.85Å; V486-L793 HydrophobicContact CG1-CG 4.09Å; V486-L793 HydrophobicContact CG2-CD2 3.94Å; V486-L793 HydrophobicContact CG2-CG 4.26Å
487	P	68.4	Low	74.5	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.026	22%	0.217	C	C	.	.			trans	-74.8	124.2	-174.7	28.2	-33.2	0	0	0	112.2	W489 D490	P487-W489 VanDerWaalsContact C-N 3.26Å; P487-W489 HydrophobicContact CB-CD2 4.05Å; P487-W489 HydrophobicContact CB-CG 4.2Å; P487-W489 HydrophobicContact CB-CZ2 3.89Å; P487-W489 HydrophobicContact CG-CZ2 4.23Å; P487-W489 PolarHBondContact O-N 3.12Å; P487-D490 CarbonylContact O-C 3.55Å; P487-D490 PolarHBondContact O-N 3.45Å
488	A	62.9	Low	73.6	Confident	26 Å²	26	40.2 Å²	40.2	22%	0.215	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-61.6	-34.2	174.4	0	0	0	0	0	112.7	V486 D490 Q518	V486-A488 PolarHBondContact O-N 3.13Å; A488-D490 PolarHBondContact O-N 2.9Å; A488-Q518 HydrophobicContact CB-CG 4.09Å
489	W	62.5	Low	73	Confident	164 Å²	164	40.1 Å²	40.1	62%	0.621	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-67.3	-17.3	-179	60	-101.7	0	0	0	114.6	P487 L493	P487-W489 VanDerWaalsContact C-N 3.26Å; P487-W489 HydrophobicContact CB-CD2 4.05Å; P487-W489 HydrophobicContact CB-CG 4.2Å; P487-W489 HydrophobicContact CB-CZ2 3.89Å; P487-W489 HydrophobicContact CG-CZ2 4.23Å; P487-W489 PolarHBondContact O-N 3.12Å; W489-L493 HydrophobicContact CH2-CD1 4.11Å; W489-L493 HydrophobicContact CZ3-CD1 4.26Å
490	D	69.9	Low	72.6	Confident	45 Å²	45	42.8 Å²	42.8	24%	0.241	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-147.2	82.8	166.6	-171.2	-13.7	0	0	0	110.2	P487 A488 T492 L493	P487-D490 CarbonylContact O-C 3.55Å; P487-D490 PolarHBondContact O-N 3.45Å; A488-D490 PolarHBondContact O-N 2.9Å; D490-T492 PolarHBondContact O-N 2.94Å; D490-T492 VanDerWaalsContact O-N 3.09Å; D490-T492 WeakPolarHBondContact OD1-CB 3.49Å; D490-T492 PolarHBondContact OD1-N 3.4Å; D490-T492 PolarHBondContact OD1-OG1 2.93Å; D490-L493 HydrophobicContact CB-CD1 3.86Å; D490-L493 HydrophobicContact CB-CG 4.12Å; D490-L493 PolarHBondContact O-N 2.95Å; D490-L493 WeakPolarHBondContact OD2-CG 3.36Å
491	H	66.3	Low	72.3	Confident	43 Å²	43	44 Å²	44	20%	0.199	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-0.4	178	60.7	-109.2	0	0	0	114.3	C519 P787 A789	H491-C519 HydrophobicContact CB-CB 4.45Å; H491-P787 HydrophobicContact CB-CB 3.78Å; H491-P787 HydrophobicContact CB-CG 4.24Å; H491-A789 HydrophobicContact CB-CB 4.08Å; H491-A789 PolarHBondContact O-N 3.37Å
492	T	64.3	Low	72.2	Confident	95 Å²	95	44.2 Å²	44.2	58%	0.583	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.1	179	78.1	0	0	0	0	113.2	D490 G494	D490-T492 PolarHBondContact O-N 2.94Å; D490-T492 VanDerWaalsContact O-N 3.09Å; D490-T492 WeakPolarHBondContact OD1-CB 3.49Å; D490-T492 PolarHBondContact OD1-N 3.4Å; D490-T492 PolarHBondContact OD1-OG1 2.93Å; T492-G494 PolarHBondContact O-N 2.86Å
493	L	63.3	Low	72.3	Confident	58 Å²	58	44.4 Å²	44.4	30%	0.304	24%	0.238	S	C	.	.	S	Bend	trans	-69.8	124.8	177.5	-66.3	171.9	0	0	0	110.9	W489 D490 T495	W489-L493 HydrophobicContact CH2-CD1 4.11Å; W489-L493 HydrophobicContact CZ3-CD1 4.26Å; D490-L493 HydrophobicContact CB-CD1 3.86Å; D490-L493 HydrophobicContact CB-CG 4.12Å; D490-L493 PolarHBondContact O-N 2.95Å; D490-L493 WeakPolarHBondContact OD2-CG 3.36Å; L493-T495 PolarHBondContact O-N 2.76Å
494	G	56.8	Low	72.7	Confident	60 Å²	60	41 Å²	41	62%	0.619	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-59.1	123.4	171.3	0	0	0	0	0	110.8	T492	T492-G494 PolarHBondContact O-N 2.86Å
495	T	61.4	Low	73.3	Confident	16 Å²	16	38 Å²	38	10%	0.098	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-74	170.9	-166.4	69.8	0	0	0	0	112.9	V486 L493 S497 D792	V486-T495 HydrophobicContact CB-CG2 4.23Å; V486-T495 HydrophobicContact CG1-CG2 3.92Å; V486-T495 HydrophobicContact CG2-CG2 3.8Å; L493-T495 PolarHBondContact O-N 2.76Å; T495-S497 PolarHBondContact O-N 3.07Å; T495-S497 VanDerWaalsContact O-N 3.13Å; T495-D792 HydrophobicContact CG2-CB 3.92Å; T495-D792 WeakPolarHBondContact OG1-CB 3.21Å; T495-D792 PolarHBondContact OG1-OD2 2.97Å
496	F	67.1	Low	73.7	Confident	23 Å²	23	37.3 Å²	37.3	10%	0.101	21%	0.205	C	C	.	.			trans	-42.9	116.8	170.2	176.5	-124.1	0	0	0	111.9	L52 V80 L83 A84 L485 E498 I499	L52-F496 HydrophobicContact CD2-CD2 4.35Å; L52-F496 HydrophobicContact CD2-CE2 4.25Å; V80-F496 HydrophobicContact CG1-CD2 4.28Å; V80-F496 HydrophobicContact CG1-CE2 3.63Å; V80-F496 HydrophobicContact CG1-CZ 3.77Å; L83-F496 HydrophobicContact CB-CE1 4.44Å; A84-F496 HydrophobicContact CB-CZ 4.12Å; L485-F496 HydrophobicContact CB-CB 4.18Å; L485-F496 HydrophobicContact CD1-CD1 3.71Å; L485-F496 HydrophobicContact CD1-CE1 4.05Å; L485-F496 HydrophobicContact CD1-CG 4.48Å; L485-F496 HydrophobicContact CD2-CB 3.84Å; L485-F496 HydrophobicContact CD2-CD1 3.75Å; L485-F496 HydrophobicContact CD2-CD2 4.26Å; L485-F496 HydrophobicContact CD2-CE1 4.24Å; L485-F496 HydrophobicContact CD2-CG 3.73Å; L485-F496 HydrophobicContact CG-CB 4.46Å; L485-F496 HydrophobicContact CG-CD1 4.23Å; F496-E498 HydrophobicContact CD1-CB 4.11Å; F496-E498 WeakPolarHBondContact CD2-OE2 3.4Å; F496-E498 HydrophobicContact CE1-CB 3.68Å; F496-E498 HydrophobicContact CE2-CB 4.17Å; F496-E498 HydrophobicContact CE2-CG 4.19Å; F496-E498 VanDerWaalsContact CE2-OE1 3.28Å; F496-E498 WeakPolarHBondContact CE2-OE1 3.34Å; F496-E498 WeakPolarHBondContact CE2-OE2 3.41Å; F496-E498 HydrophobicContact CZ-CB 3.72Å; F496-E498 HydrophobicContact CZ-CG 4.09Å; F496-E498 PolarHBondContact O-N 2.63Å; F496-E498 VanDerWaalsContact O-N 3.11Å; F496-I499 HydrophobicContact CB-CD1 4.48Å; F496-I499 HydrophobicContact CD1-CD1 4.39Å; F496-I499 HydrophobicContact CD1-CG1 4.11Å; F496-I499 WeakPolarHBondContact O-CB 3.23Å; F496-I499 PolarHBondContact O-N 3.31Å
497	S	68.6	Low	74.2	Confident	67 Å²	67	37.8 Å²	37.8	47%	0.469	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-63.2	-26.6	-166.4	68.1	0	0	0	0	113.6	T495 I499 K500	T495-S497 PolarHBondContact O-N 3.07Å; T495-S497 VanDerWaalsContact O-N 3.13Å; S497-I499 VanDerWaalsContact C-N 3.31Å; S497-I499 PolarHBondContact O-N 3.2Å; S497-K500 WeakPolarHBondContact O-CB 3.44Å; S497-K500 PolarHBondContact O-N 2.91Å
498	E	74.6	Confident	75.2	Confident	34 Å²	34	39.1 Å²	39.1	16%	0.159	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-73.9	-18.7	-179.6	-59.7	91.5	127.7	0	0	112.5	A84 F496 K500 Q501 V502	A84-E498 HydrophobicContact CB-CG 4.3Å; F496-E498 HydrophobicContact CD1-CB 4.11Å; F496-E498 WeakPolarHBondContact CD2-OE2 3.4Å; F496-E498 HydrophobicContact CE1-CB 3.68Å; F496-E498 HydrophobicContact CE2-CB 4.17Å; F496-E498 HydrophobicContact CE2-CG 4.19Å; F496-E498 VanDerWaalsContact CE2-OE1 3.28Å; F496-E498 WeakPolarHBondContact CE2-OE1 3.34Å; F496-E498 WeakPolarHBondContact CE2-OE2 3.41Å; F496-E498 HydrophobicContact CZ-CB 3.72Å; F496-E498 HydrophobicContact CZ-CG 4.09Å; F496-E498 PolarHBondContact O-N 2.63Å; F496-E498 VanDerWaalsContact O-N 3.11Å; E498-K500 VanDerWaalsContact C-N 3.26Å; E498-K500 PolarHBondContact O-N 3.3Å; E498-Q501 WeakPolarHBondContact O-CB 3.21Å; E498-Q501 PolarHBondContact O-N 3.09Å; E498-Q501 VanDerWaalsContact O-N 3.12Å; E498-V502 PolarHBondContact O-N 2.82Å
499	I	78.1	Confident	76.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.3	-41.1	166.7	-90.4	164.6	0	0	0	110.5	L482 L485 V486 F496 S497 Q501 V502 K503 L506	L482-I499 HydrophobicContact CD1-CD1 3.87Å; L485-I499 HydrophobicContact CB-CD1 3.69Å; L485-I499 HydrophobicContact CD1-CD1 3.96Å; L485-I499 HydrophobicContact CD1-CG1 4.44Å; L485-I499 HydrophobicContact CG-CD1 4.48Å; V486-I499 HydrophobicContact CG2-CD1 3.79Å; F496-I499 HydrophobicContact CB-CD1 4.48Å; F496-I499 HydrophobicContact CD1-CD1 4.39Å; F496-I499 HydrophobicContact CD1-CG1 4.11Å; F496-I499 WeakPolarHBondContact O-CB 3.23Å; F496-I499 PolarHBondContact O-N 3.31Å; S497-I499 VanDerWaalsContact C-N 3.31Å; S497-I499 PolarHBondContact O-N 3.2Å; I499-Q501 PolarHBondContact O-N 2.77Å; I499-V502 CarbonylContact O-C 3.59Å; I499-V502 PolarHBondContact O-N 3.44Å; I499-K503 WeakPolarHBondContact O-CA 3.04Å; I499-K503 PolarHBondContact O-N 2.61Å; I499-L506 HydrophobicContact CG2-CD1 4.1Å
500	K	78.4	Confident	77.1	Confident	73 Å²	73	35.6 Å²	35.6	32%	0.317	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-64.3	-24	179	-53.2	-176.5	-170.9	-103.7	0	112.1	S497 E498 D792	S497-K500 WeakPolarHBondContact O-CB 3.44Å; S497-K500 PolarHBondContact O-N 2.91Å; E498-K500 VanDerWaalsContact C-N 3.26Å; E498-K500 PolarHBondContact O-N 3.3Å; K500-D792 WeakPolarHBondContact CE-OD1 3.1Å; K500-D792 IonicContact NZ-OD1 3.22Å; K500-D792 PolarHBondContact NZ-OD1 2.68Å; K500-D792 IonicContact NZ-OD2 2.76Å
501	Q	80.4	Confident	77.4	Confident	62 Å²	62	37.9 Å²	37.9	29%	0.29	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-83.2	-11.9	176.2	-58.3	177.3	26.9	0	0	113.8	R91 Y276 E498 I499	R91-Q501 WeakPolarHBondContact CD-O 3.36Å; R91-Q501 HydrophobicContact CG-CB 4.16Å; Y276-Q501 PolarHBondContact OH-O 2.66Å; E498-Q501 WeakPolarHBondContact O-CB 3.21Å; E498-Q501 PolarHBondContact O-N 3.09Å; E498-Q501 VanDerWaalsContact O-N 3.12Å; I499-Q501 PolarHBondContact O-N 2.77Å
502	V	85.2	Confident	78.3	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.03	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-127.5	25.7	176.3	-61.2	0	0	0	0	111	A87 L90 F474 E498 I499 Q504 F505	A87-V502 HydrophobicContact CB-CG1 3.56Å; L90-V502 HydrophobicContact CD1-CG1 4.06Å; F474-V502 HydrophobicContact CZ-CB 4.28Å; F474-V502 HydrophobicContact CZ-CG1 4.07Å; F474-V502 HydrophobicContact CZ-CG2 4.2Å; E498-V502 PolarHBondContact O-N 2.82Å; I499-V502 CarbonylContact O-C 3.59Å; I499-V502 PolarHBondContact O-N 3.44Å; V502-Q504 VanDerWaalsContact C-N 3.31Å; V502-Q504 PolarHBondContact O-N 3.43Å; V502-F505 HydrophobicContact CB-CB 4.27Å; V502-F505 HydrophobicContact CB-CD2 3.9Å; V502-F505 HydrophobicContact CB-CG 4.21Å; V502-F505 HydrophobicContact CG1-CD2 4.48Å; V502-F505 WeakPolarHBondContact O-CA 3.38Å; V502-F505 WeakPolarHBondContact O-CB 3.26Å; V502-F505 WeakPolarHBondContact O-CD2 3.33Å; V502-F505 PolarHBondContact O-N 2.82Å
503	K	88.4	Confident	79.1	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.013	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.1	-37.4	-165.4	-150.3	-171.6	-170.4	-162.4	0	113.1	I499 F505 L506 S688 E690 L791 D792 L794	I499-K503 WeakPolarHBondContact O-CA 3.04Å; I499-K503 PolarHBondContact O-N 2.61Å; K503-F505 VanDerWaalsContact C-N 3.27Å; K503-F505 PolarHBondContact O-N 3.35Å; K503-L506 HydrophobicContact CG-CD1 4.08Å; K503-L506 WeakPolarHBondContact O-CB 3.44Å; K503-L506 WeakPolarHBondContact O-CG 3.26Å; K503-L506 PolarHBondContact O-N 3.41Å; K503-S688 PolarHBondContact NZ-O 2.82Å; K503-E690 HydrophobicContact CB-CG 4.4Å; K503-E690 HydrophobicContact CD-CG 3.44Å; K503-E690 VanDerWaalsContact CD-CG 3.44Å; K503-E690 IonicContact NZ-OE1 2.93Å; K503-L791 VanDerWaalsContact CE-O 3.22Å; K503-L791 WeakPolarHBondContact CE-O 3.5Å; K503-L791 PolarHBondContact NZ-O 2.72Å; K503-D792 WeakPolarHBondContact CE-O 3.49Å; K503-L794 WeakPolarHBondContact CE-O 3.45Å; K503-L794 PolarHBondContact NZ-O 3.32Å
504	Q	89.4	Confident	79.6	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.019	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-65	-30.2	175.4	-60.1	-71.4	-44.3	0	0	112	E280 I283 H284 V502 L506 L507 E690	E280-Q504 HydrophobicContact CG-CB 4.18Å; E280-Q504 HydrophobicContact CG-CG 4.38Å; E280-Q504 WeakPolarHBondContact OE1-CG 3.27Å; I283-Q504 VanDerWaalsContact CG2-O 3.3Å; I283-Q504 WeakPolarHBondContact CG2-O 3.2Å; H284-Q504 PolarHBondContact CE1-OE1 2.89Å; H284-Q504 PolarHBondContact NE2-OE1 3.44Å; V502-Q504 VanDerWaalsContact C-N 3.31Å; V502-Q504 PolarHBondContact O-N 3.43Å; Q504-L506 PolarHBondContact O-N 2.93Å; Q504-L507 WeakPolarHBondContact O-CB 3.44Å; Q504-L507 WeakPolarHBondContact O-CD1 3.45Å; Q504-L507 WeakPolarHBondContact O-CG 3.45Å; Q504-L507 PolarHBondContact O-N 3.03Å; Q504-L507 VanDerWaalsContact O-N 3.14Å; Q504-E690 PolarHBondContact NE2-OE2 3.44Å
505	F	92.1	Very high	80.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-64.6	-25.3	177.8	-62.8	-110.1	0	0	0	112.1	L90 Y276 D279 E280 I283 L471 F474 I475 V502 K503 L507 L508	L90-F505 HydrophobicContact CB-CZ 4.4Å; L90-F505 HydrophobicContact CD1-CD1 4.13Å; L90-F505 HydrophobicContact CD1-CE1 3.71Å; L90-F505 HydrophobicContact CD1-CZ 3.94Å; L90-F505 HydrophobicContact CD2-CE1 3.81Å; L90-F505 HydrophobicContact CD2-CZ 3.98Å; L90-F505 HydrophobicContact CG-CE1 4.32Å; L90-F505 HydrophobicContact CG-CZ 4.32Å; Y276-F505 HydrophobicContact CD2-CE2 4.42Å; Y276-F505 AromaticContact CE2-CE2 3.53Å; Y276-F505 HydrophobicContact CE2-CE2 3.53Å; Y276-F505 HydrophobicContact CE2-CZ 4.07Å; Y276-F505 AromaticContact CZ-CE2 3.92Å; D279-F505 HydrophobicContact CB-CE1 4.06Å; D279-F505 HydrophobicContact CB-CZ 3.66Å; E280-F505 HydrophobicContact CG-CE2 4.31Å; I283-F505 HydrophobicContact CD1-CB 4.39Å; I283-F505 HydrophobicContact CD1-CD1 3.66Å; I283-F505 HydrophobicContact CD1-CE1 4.21Å; I283-F505 HydrophobicContact CD1-CG 4.24Å; I283-F505 HydrophobicContact CG1-CD1 3.6Å; I283-F505 HydrophobicContact CG1-CE1 3.82Å; I283-F505 HydrophobicContact CG1-CG 4.02Å; I283-F505 HydrophobicContact CG1-CZ 4.41Å; L471-F505 HydrophobicContact CD1-CE1 4.28Å; L471-F505 HydrophobicContact CD2-CD1 4.45Å; L471-F505 HydrophobicContact CD2-CE1 3.89Å; F474-F505 HydrophobicContact CD1-CD1 4.37Å; F474-F505 HydrophobicContact CE1-CB 4.17Å; F474-F505 HydrophobicContact CE1-CD1 4.14Å; F474-F505 HydrophobicContact CE1-CG 4.33Å; I475-F505 HydrophobicContact CD1-CB 4Å; I475-F505 WeakPolarHBondContact CD1-O 3.27Å; V502-F505 HydrophobicContact CB-CB 4.27Å; V502-F505 HydrophobicContact CB-CD2 3.9Å; V502-F505 HydrophobicContact CB-CG 4.21Å; V502-F505 HydrophobicContact CG1-CD2 4.48Å; V502-F505 WeakPolarHBondContact O-CA 3.38Å; V502-F505 WeakPolarHBondContact O-CB 3.26Å; V502-F505 WeakPolarHBondContact O-CD2 3.33Å; V502-F505 PolarHBondContact O-N 2.82Å; K503-F505 VanDerWaalsContact C-N 3.27Å; K503-F505 PolarHBondContact O-N 3.35Å; F505-L507 PolarHBondContact O-N 3.12Å; F505-L507 VanDerWaalsContact O-N 3.08Å; F505-L508 PolarHBondContact O-N 2.94Å
506	L	90.1	Very high	81.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-58	-20.5	174.7	-67.3	177.6	0	0	0	113.4	L478 L482 I499 K503 Q504 L508 S509 R512 L793	L478-L506 HydrophobicContact CD2-CD2 3.88Å; L482-L506 HydrophobicContact CD1-CD2 4.07Å; L482-L506 HydrophobicContact CD2-CD2 4.48Å; I499-L506 HydrophobicContact CG2-CD1 4.1Å; K503-L506 HydrophobicContact CG-CD1 4.08Å; K503-L506 WeakPolarHBondContact O-CB 3.44Å; K503-L506 WeakPolarHBondContact O-CG 3.26Å; K503-L506 PolarHBondContact O-N 3.41Å; Q504-L506 PolarHBondContact O-N 2.93Å; L506-L508 PolarHBondContact O-N 2.77Å; L506-L508 VanDerWaalsContact O-N 3.14Å; L506-S509 WeakPolarHBondContact O-CB 3.46Å; L506-S509 PolarHBondContact O-N 2.7Å; L506-R512 WeakPolarHBondContact O-CD 3.4Å; L506-R512 PolarHBondContact O-NE 2.72Å; L506-L793 HydrophobicContact CD1-CD2 4.45Å
507	L	89.5	Confident	82.7	Confident	10 Å²	10	32 Å²	32	5%	0.052	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.6	176.3	-66.7	168.5	0	0	0	113.3	I283 H284 Y287 Q504 F505 T795 E798	I283-L507 HydrophobicContact CG2-CB 4.29Å; I283-L507 HydrophobicContact CG2-CD1 4.4Å; H284-L507 WeakPolarHBondContact CE1-CD1 3.33Å; Y287-L507 HydrophobicContact CD1-CD2 4.5Å; Y287-L507 HydrophobicContact CD2-CB 4.12Å; Y287-L507 WeakPolarHBondContact CD2-O 3.45Å; Y287-L507 HydrophobicContact CE1-CD2 4.27Å; Y287-L507 HydrophobicContact CG-CB 4.06Å; Q504-L507 WeakPolarHBondContact O-CB 3.44Å; Q504-L507 WeakPolarHBondContact O-CD1 3.45Å; Q504-L507 WeakPolarHBondContact O-CG 3.45Å; Q504-L507 PolarHBondContact O-N 3.03Å; Q504-L507 VanDerWaalsContact O-N 3.14Å; F505-L507 PolarHBondContact O-N 3.12Å; F505-L507 VanDerWaalsContact O-N 3.08Å; L507-T795 HydrophobicContact CD1-CG2 4.25Å; L507-T795 HydrophobicContact CD2-CG2 3.86Å; L507-T795 HydrophobicContact CG-CG2 3.88Å; L507-E798 HydrophobicContact CD2-CG 4.19Å
508	L	89.1	Confident	83.1	Confident	33 Å²	33	31.4 Å²	31.4	17%	0.173	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-90.8	-1.7	175.9	-59.5	-172.4	0	0	0	114.4	I283 L286 I475 F505 L506 R510	I283-L508 HydrophobicContact CD1-CD1 3.49Å; I283-L508 VanDerWaalsContact CD1-CD1 3.49Å; I283-L508 HydrophobicContact CD1-CG 4.08Å; I283-L508 HydrophobicContact CG2-CG 4.39Å; L286-L508 HydrophobicContact CB-CD1 3.95Å; L286-L508 HydrophobicContact CB-CD2 4.01Å; L286-L508 HydrophobicContact CD1-CD1 3.93Å; I475-L508 HydrophobicContact CD1-CB 4.24Å; I475-L508 HydrophobicContact CG1-CB 4.03Å; I475-L508 HydrophobicContact CG2-CB 4.25Å; I475-L508 WeakPolarHBondContact CG2-O 3.25Å; F505-L508 PolarHBondContact O-N 2.94Å; L506-L508 PolarHBondContact O-N 2.77Å; L506-L508 VanDerWaalsContact O-N 3.14Å; L508-R510 PolarHBondContact O-N 2.88Å
509	S	87.4	Confident	83.6	Confident	7 Å²	7	29.8 Å²	29.8	5%	0.049	16%	0.158	C	C	.	.			trans	-68	124.6	178.8	176.2	0	0	0	0	111.5	D479 L482 L506 Q511 R512	D479-S509 VanDerWaalsContact OD1-CA 3.3Å; D479-S509 WeakPolarHBondContact OD1-CA 3.17Å; D479-S509 WeakPolarHBondContact OD1-CB 3.44Å; D479-S509 PolarHBondContact OD1-OG 2.7Å; L482-S509 WeakPolarHBondContact CD2-OG 3.12Å; L506-S509 WeakPolarHBondContact O-CB 3.46Å; L506-S509 PolarHBondContact O-N 2.7Å; S509-Q511 VanDerWaalsContact C-N 3.35Å; S509-Q511 PolarHBondContact OG-N 3.38Å; S509-R512 WeakPolarHBondContact OG-CB 3.37Å; S509-R512 PolarHBondContact OG-N 2.85Å
510	R	77.7	Confident	84.1	Confident	108 Å²	108	30.3 Å²	30.3	41%	0.408	16%	0.161	S	C	.	.	S	Bend	trans	-77.5	-20.7	174.7	-78.6	174.2	148	-172.5	-6	112.6	E293 D401 D479 L508	E293-R510 IonicContact OE1-CZ 3.65Å; E293-R510 VanDerWaalsContact OE1-CZ 3.3Å; E293-R510 IonicContact OE1-NE 3.03Å; E293-R510 PolarHBondContact OE1-NE 3.14Å; E293-R510 VanDerWaalsContact OE1-NE 3.09Å; E293-R510 IonicContact OE1-NH2 3.78Å; E293-R510 PolarHBondContact OE1-NH2 2.99Å; D401-R510 IonicContact OD1-CZ 3.08Å; D401-R510 IonicContact OD1-NH1 3.43Å; D401-R510 PolarHBondContact OD1-NH1 2.95Å; D401-R510 IonicContact OD1-NH2 3.69Å; D401-R510 PolarHBondContact OD1-NH2 3.09Å; D401-R510 IonicContact OD2-CZ 3.59Å; D401-R510 IonicContact OD2-NH1 3.59Å; D401-R510 PolarHBondContact OD2-NH1 3.02Å; D479-R510 PolarHBondContact OD2-N 3.38Å; L508-R510 PolarHBondContact O-N 2.88Å
511	Q	76.2	Confident	84.4	Confident	94 Å²	94	32.5 Å²	32.5	44%	0.439	17%	0.167	S	C	.	.	S	Bend	trans	-89.8	-28.6	-177.2	-63.6	-61.5	-28.9	0	0	113.3	D479 L482 S509 G514 L515	D479-Q511 HydrophobicContact CB-CG 3.88Å; L482-Q511 HydrophobicContact CD2-CB 4.39Å; S509-Q511 VanDerWaalsContact C-N 3.35Å; S509-Q511 PolarHBondContact OG-N 3.38Å; Q511-G514 PolarHBondContact O-N 3.3Å; Q511-L515 PolarHBondContact O-N 3.38Å; Q511-L515 VanDerWaalsContact O-N 3.14Å
512	R	85.9	Confident	84.6	Confident	13 Å²	13	33.1 Å²	33.1	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-44.4	-173	174.6	-175.9	85.2	95	-2.1	116.1	L482 L506 S509 G514 L515 V516 L793 E798	L482-R512 HydrophobicContact CD2-CB 4.06Å; L506-R512 WeakPolarHBondContact O-CD 3.4Å; L506-R512 PolarHBondContact O-NE 2.72Å; S509-R512 WeakPolarHBondContact OG-CB 3.37Å; S509-R512 PolarHBondContact OG-N 2.85Å; R512-G514 VanDerWaalsContact C-N 3.29Å; R512-G514 PolarHBondContact O-N 3.16Å; R512-L515 PolarHBondContact O-N 2.86Å; R512-V516 HydrophobicContact CG-CG2 4.44Å; R512-V516 WeakPolarHBondContact O-CG2 3.48Å; R512-V516 PolarHBondContact O-N 3.06Å; R512-L793 VanDerWaalsContact CD-O 3.31Å; R512-L793 WeakPolarHBondContact CD-O 3.21Å; R512-L793 HydrophobicContact CG-CB 4.27Å; R512-L793 HydrophobicContact CG-CD2 4.23Å; R512-L793 PolarHBondContact NH1-O 2.87Å; R512-E798 IonicContact CZ-OE1 2.84Å; R512-E798 IonicContact CZ-OE2 2.81Å; R512-E798 VanDerWaalsContact NH1-CD 3.27Å; R512-E798 IonicContact NH1-OE1 3.87Å; R512-E798 PolarHBondContact NH1-OE1 3.39Å; R512-E798 IonicContact NH1-OE2 2.78Å; R512-E798 PolarHBondContact NH1-OE2 2.87Å; R512-E798 IonicContact NH2-OE1 3.71Å; R512-E798 PolarHBondContact NH2-OE1 3.24Å; R512-E798 IonicContact NH2-OE2 3.67Å
513	P	80.6	Confident	84.7	Confident	46 Å²	46	33.2 Å²	33.2	30%	0.299	17%	0.174	S	C	.	.	H	α-helix	trans	-60.8	-40.4	179.9	-23.7	35	0	0	0	112	V516 A517	P513-V516 PolarHBondContact O-N 3.32Å; P513-A517 WeakPolarHBondContact O-CB 3.45Å; P513-A517 PolarHBondContact O-N 3.28Å
514	G	75.6	Confident	84.8	Confident	44 Å²	44	36 Å²	36	45%	0.454	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-46.1	174.5	0	0	0	0	0	112.7	Q511 R512 A517 Q518	Q511-G514 PolarHBondContact O-N 3.3Å; R512-G514 VanDerWaalsContact C-N 3.29Å; R512-G514 PolarHBondContact O-N 3.16Å; G514-A517 PolarHBondContact O-N 3.47Å; G514-Q518 VanDerWaalsContact O-CB 3.3Å; G514-Q518 WeakPolarHBondContact O-CB 3.43Å; G514-Q518 PolarHBondContact O-N 3.11Å
515	L	80	Confident	84.8	Confident	21 Å²	21	36.9 Å²	36.9	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-41	176.8	-71.1	171	0	0	0	112.8	L482 H483 Q511 R512 Q518 C519 L793	L482-L515 HydrophobicContact CB-CD1 4.24Å; L482-L515 HydrophobicContact CD2-CD1 3.88Å; L482-L515 HydrophobicContact CG-CD1 3.73Å; H483-L515 HydrophobicContact CB-CD1 4.3Å; H483-L515 HydrophobicContact CB-CD2 3.99Å; Q511-L515 PolarHBondContact O-N 3.38Å; Q511-L515 VanDerWaalsContact O-N 3.14Å; R512-L515 PolarHBondContact O-N 2.86Å; L515-Q518 PolarHBondContact O-N 3.09Å; L515-C519 WeakPolarHBondContact O-CB 3.47Å; L515-C519 PolarHBondContact O-N 2.96Å; L515-C519 PolarHBondContact O-SG 2.87Å; L515-L793 HydrophobicContact CB-CD1 3.78Å
516	V	86.1	Confident	84.3	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-47.9	174.5	167.1	0	0	0	0	110.7	R512 P513 Q518 C519 L520 V790 L793 L794	R512-V516 HydrophobicContact CG-CG2 4.44Å; R512-V516 WeakPolarHBondContact O-CG2 3.48Å; R512-V516 PolarHBondContact O-N 3.06Å; P513-V516 PolarHBondContact O-N 3.32Å; V516-Q518 VanDerWaalsContact C-N 3.35Å; V516-Q518 PolarHBondContact O-N 2.83Å; V516-C519 PolarHBondContact O-N 2.85Å; V516-L520 HydrophobicContact CG1-CD1 4.16Å; V516-L520 WeakPolarHBondContact O-CG 3.4Å; V516-L520 PolarHBondContact O-N 3.4Å; V516-V790 HydrophobicContact CG1-CG1 4.07Å; V516-L793 HydrophobicContact CG2-CB 3.59Å; V516-L793 HydrophobicContact CG2-CD1 3.91Å; V516-L793 HydrophobicContact CG2-CG 4.42Å; V516-L794 HydrophobicContact CG1-CD2 4.5Å; V516-L794 HydrophobicContact CG2-CD2 4.37Å; V516-L794 HydrophobicContact CG2-CG 4.49Å
517	A	82.8	Confident	83.9	Confident	38 Å²	38	46.2 Å²	46.2	31%	0.314	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-39.4	178.9	0	0	0	0	0	112.3	P513 G514 R521	P513-A517 WeakPolarHBondContact O-CB 3.45Å; P513-A517 PolarHBondContact O-N 3.28Å; G514-A517 PolarHBondContact O-N 3.47Å; A517-R521 WeakPolarHBondContact O-CG 3.46Å; A517-R521 PolarHBondContact O-N 3.18Å; A517-R521 VanDerWaalsContact O-N 3.07Å
518	Q	78.6	Confident	83.6	Confident	54 Å²	54	47.6 Å²	47.6	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-51.3	176.4	-174.7	62.3	23.8	0	0	111.6	A488 G514 L515 V516 L520 R521 D522	A488-Q518 HydrophobicContact CB-CG 4.09Å; G514-Q518 VanDerWaalsContact O-CB 3.3Å; G514-Q518 WeakPolarHBondContact O-CB 3.43Å; G514-Q518 PolarHBondContact O-N 3.11Å; L515-Q518 PolarHBondContact O-N 3.09Å; V516-Q518 VanDerWaalsContact C-N 3.35Å; V516-Q518 PolarHBondContact O-N 2.83Å; Q518-L520 PolarHBondContact O-N 3.09Å; Q518-R521 PolarHBondContact O-N 3.44Å; Q518-D522 WeakPolarHBondContact CG-OD2 3.37Å; Q518-D522 PolarHBondContact NE2-OD1 3.31Å; Q518-D522 PolarHBondContact NE2-OD2 2.84Å; Q518-D522 VanDerWaalsContact O-CG 3.3Å; Q518-D522 PolarHBondContact O-N 2.92Å
519	C	85.1	Confident	83.2	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-33.8	178.9	-65.9	0	0	0	0	112.4	H491 L515 V516 S523 V790	H491-C519 HydrophobicContact CB-CB 4.45Å; L515-C519 WeakPolarHBondContact O-CB 3.47Å; L515-C519 PolarHBondContact O-N 2.96Å; L515-C519 PolarHBondContact O-SG 2.87Å; V516-C519 PolarHBondContact O-N 2.85Å; C519-S523 WeakPolarHBondContact O-CB 3.36Å; C519-S523 PolarHBondContact O-N 3.23Å; C519-S523 PolarHBondContact O-OG 2.91Å; C519-V790 HydrophobicContact CB-CG2 3.55Å
520	L	87.6	Confident	83	Confident	12 Å²	12	59 Å²	59	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-46.6	172.8	-73	175.2	0	0	0	111.7	V516 Q518 S523 E524 L669 R670 V786 V790	V516-L520 HydrophobicContact CG1-CD1 4.16Å; V516-L520 WeakPolarHBondContact O-CG 3.4Å; V516-L520 PolarHBondContact O-N 3.4Å; Q518-L520 PolarHBondContact O-N 3.09Å; L520-S523 PolarHBondContact O-N 3.23Å; L520-S523 PolarHBondContact O-OG 3.23Å; L520-S523 VanDerWaalsContact O-OG 3.06Å; L520-E524 WeakPolarHBondContact O-CG 3.37Å; L520-E524 PolarHBondContact O-N 2.52Å; L520-L669 HydrophobicContact CD1-CD2 4.05Å; L520-L669 HydrophobicContact CD2-CD2 3.94Å; L520-R670 HydrophobicContact CD2-CG 4.12Å; L520-R670 PolarHBondContact O-NH1 3.38Å; L520-V786 HydrophobicContact CD2-CG1 4.38Å; L520-V790 HydrophobicContact CD2-CG1 4.26Å; L520-V790 HydrophobicContact CD2-CG2 4.08Å; L520-V790 HydrophobicContact CG-CG1 4.42Å; L520-V790 HydrophobicContact CG-CG2 4.01Å
521	R	85.4	Confident	83.4	Confident	119 Å²	119	56.2 Å²	56.2	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-49.9	176.1	-75.8	-172.3	-63.1	-97.1	6.2	112.7	A517 Q518 S523 E524	A517-R521 WeakPolarHBondContact O-CG 3.46Å; A517-R521 PolarHBondContact O-N 3.18Å; A517-R521 VanDerWaalsContact O-N 3.07Å; Q518-R521 PolarHBondContact O-N 3.44Å; R521-S523 PolarHBondContact O-N 3.38Å; R521-E524 VanDerWaalsContact O-CB 3.28Å; R521-E524 WeakPolarHBondContact O-CB 3.47Å; R521-E524 WeakPolarHBondContact O-CG 3.32Å; R521-E524 PolarHBondContact O-N 3.14Å
522	D	83.3	Confident	84	Confident	76 Å²	76	53.4 Å²	53.4	41%	0.406	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.9	-175.4	-63.6	-18.5	0	0	0	113.4	Q518	Q518-D522 WeakPolarHBondContact CG-OD2 3.37Å; Q518-D522 PolarHBondContact NE2-OD1 3.31Å; Q518-D522 PolarHBondContact NE2-OD2 2.84Å; Q518-D522 VanDerWaalsContact O-CG 3.3Å; Q518-D522 PolarHBondContact O-N 2.92Å
523	S	88.4	Confident	84.2	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.042	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	9.6	175	59.1	0	0	0	0	113.3	C519 L520 R521 R579 R670 P787	C519-S523 WeakPolarHBondContact O-CB 3.36Å; C519-S523 PolarHBondContact O-N 3.23Å; C519-S523 PolarHBondContact O-OG 2.91Å; L520-S523 PolarHBondContact O-N 3.23Å; L520-S523 PolarHBondContact O-OG 3.23Å; L520-S523 VanDerWaalsContact O-OG 3.06Å; R521-S523 PolarHBondContact O-N 3.38Å; S523-R579 WeakPolarHBondContact O-CD 3.5Å; S523-R579 PolarHBondContact O-NH1 2.99Å; S523-R670 PolarHBondContact OG-NH2 2.64Å; S523-P787 WeakPolarHBondContact OG-CG 3.15Å
524	E	90.2	Very high	84.8	Confident	61 Å²	61	57.2 Å²	57.2	29%	0.285	31%	0.31	S	S	.	.			trans	-64.5	157.9	175.4	-76.5	176	-174.7	0	0	112.6	L520 R521 R579 P581	L520-E524 WeakPolarHBondContact O-CG 3.37Å; L520-E524 PolarHBondContact O-N 2.52Å; R521-E524 VanDerWaalsContact O-CB 3.28Å; R521-E524 WeakPolarHBondContact O-CB 3.47Å; R521-E524 WeakPolarHBondContact O-CG 3.32Å; R521-E524 PolarHBondContact O-N 3.14Å; E524-R579 CarbonylContact C-O 3.59Å; E524-R579 WeakPolarHBondContact CA-O 3.17Å; E524-P581 VanDerWaalsContact CD-CA 3.47Å; E524-P581 WeakPolarHBondContact OE1-CA 3.46Å; E524-P581 VanDerWaalsContact OE2-CB 3.25Å; E524-P581 WeakPolarHBondContact OE2-CB 3.2Å; E524-P581 WeakPolarHBondContact OE2-CG 3.2Å
525	S	89.3	Confident	85.5	Confident	23 Å²	23	62.1 Å²	62.1	16%	0.161	32%	0.316	C	S	.	.			trans	-134.2	154.9	169.7	66.1	0	0	0	0	111.7	K527 D577 R579 P581	S525-K527 PolarHBondContact O-N 3.04Å; S525-D577 VanDerWaalsContact CB-OD2 3.27Å; S525-D577 WeakPolarHBondContact CB-OD2 3.21Å; S525-D577 PolarHBondContact OG-OD2 3.35Å; S525-R579 PolarHBondContact N-O 2.64Å; S525-P581 WeakPolarHBondContact O-CD 3.47Å
526	S	82.5	Confident	86.2	Confident	116 Å²	116	61.1 Å²	61.1	81%	0.811	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-63.5	133	177.3	-48.7	0	0	0	0	110.8
527	K	81.8	Confident	86.5	Confident	80 Å²	80	61.9 Å²	61.9	35%	0.348	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-55.3	152.6	169.1	77.8	167.4	-153.8	72.3	0	110.6	S525 W580 Y584	S525-K527 PolarHBondContact O-N 3.04Å; K527-W580 HydrophobicContact CB-CD2 3.87Å; K527-W580 HydrophobicContact CB-CE3 4.05Å; K527-W580 HydrophobicContact CB-CG 4.16Å; K527-Y584 HydrophobicContact CB-CD2 4.4Å; K527-Y584 HydrophobicContact CD-CD1 3.97Å; K527-Y584 HydrophobicContact CD-CD2 4.43Å; K527-Y584 HydrophobicContact CD-CE1 3.84Å; K527-Y584 HydrophobicContact CD-CE2 4.29Å; K527-Y584 HydrophobicContact CD-CG 4.28Å; K527-Y584 HydrophobicContact CG-CE2 4.47Å
528	P	81.5	Confident	86.9	Confident	40 Å²	40	62.1 Å²	62.1	26%	0.26	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.1	156.1	175.2	28.7	-36.5	0	0	0	112.1	F530 L576 W580	P528-F530 WeakPolarHBondContact CB-O 2.97Å; P528-F530 WeakPolarHBondContact CG-O 3.13Å; P528-F530 PolarHBondContact O-N 2.92Å; P528-L576 HydrophobicContact CG-CD1 4.23Å; P528-W580 VanDerWaalsContact CD-CE2 3.45Å; P528-W580 HydrophobicContact CG-CH2 3.96Å; P528-W580 HydrophobicContact CG-CZ2 3.76Å
529	S	81.7	Confident	87.4	Confident	105 Å²	105	66.7 Å²	66.7	73%	0.734	32%	0.322	S	S	*	.	S	Bend	trans	-62.4	-32.2	176.3	-53.9	0	0	0	0	112.5
530	F	82.8	Confident	87.7	Confident	173 Å²	173	69 Å²	69	76%	0.759	33%	0.334	S	S	*	.	S	Bend	trans	-123.1	139.1	179	-21.8	-76.1	0	0	0	108.1	P528	P528-F530 WeakPolarHBondContact CB-O 2.97Å; P528-F530 WeakPolarHBondContact CG-O 3.13Å; P528-F530 PolarHBondContact O-N 2.92Å
531	M	85.6	Confident	87.9	Confident	50 Å²	50	68.8 Å²	68.8	25%	0.246	33%	0.334	C	S	.	.			trans	-80.7	133.3	171.7	-164.4	66.7	81.6	0	0	108.7	R533 W580 Q586 E589	M531-R533 PolarHBondContact O-N 2.76Å; M531-W580 HydrophobicContact CE-CZ3 3.99Å; M531-W580 HydrophobicContact SD-CH2 3.84Å; M531-W580 HydrophobicContact SD-CZ3 3.85Å; M531-Q586 WeakPolarHBondContact CE-O 3.47Å; M531-E589 HydrophobicContact CB-CG 4.18Å; M531-E589 HydrophobicContact CG-CG 4Å
532	P	88.9	Confident	88.1	Confident	35 Å²	35	69.5 Å²	69.5	23%	0.227	34%	0.344	C	S	.	.			trans	-62.8	134.6	171.5	26.1	-33.2	0	0	0	109.6	L566 L576 W588 E589	P532-L566 HydrophobicContact CB-CD2 3.82Å; P532-L566 HydrophobicContact CG-CD2 3.75Å; P532-L576 HydrophobicContact CG-CD1 4.11Å; P532-L576 HydrophobicContact CG-CD2 4.12Å; P532-W588 HydrophobicContact CG-CB 4.12Å; P532-W588 CarbonylContact O-C 3.59Å; P532-W588 WeakPolarHBondContact O-CA 3.33Å; P532-E589 PolarHBondContact O-N 3.34Å
533	R	90.6	Very high	88.4	Confident	133 Å²	133	70.4 Å²	70.4	50%	0.502	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.4	179.9	-178.1	179.4	-66.6	157.1	3.6	110.3	M531 Y535 E589	M531-R533 PolarHBondContact O-N 2.76Å; R533-Y535 WeakPolarHBondContact CD-OH 3.28Å; R533-Y535 HydrophobicContact CG-CE2 4.02Å; R533-E589 WeakPolarHBondContact CA-O 3.23Å; R533-E589 HydrophobicContact CB-CB 4.13Å; R533-E589 HydrophobicContact CG-CB 4.09Å; R533-E589 IonicContact CZ-OE2 3.91Å; R533-E589 IonicContact NE-OE2 3.3Å; R533-E589 PolarHBondContact NE-OE2 3.13Å; R533-E589 IonicContact NH2-OE1 3.69Å; R533-E589 IonicContact NH2-OE2 2.81Å; R533-E589 PolarHBondContact NH2-OE2 3.35Å
534	L	92.6	Very high	88.5	Confident	7 Å²	7	70.3 Å²	70.3	4%	0.037	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.4	-177.7	-57.3	-177.9	0	0	0	111.3	I536 V562 G565 L566 W588 E589 K591	L534-I536 HydrophobicContact CB-CD1 4.48Å; L534-I536 HydrophobicContact CB-CG1 4.23Å; L534-V562 HydrophobicContact CD1-CB 4.2Å; L534-V562 HydrophobicContact CD1-CG1 3.75Å; L534-V562 HydrophobicContact CD1-CG2 4.06Å; L534-G565 VanDerWaalsContact CD2-C 3.46Å; L534-G565 WeakPolarHBondContact CD2-O 3.38Å; L534-L566 HydrophobicContact CD1-CD1 4.41Å; L534-L566 HydrophobicContact CD1-CD2 4.04Å; L534-L566 HydrophobicContact CD1-CG 4Å; L534-L566 HydrophobicContact CD2-CD2 3.87Å; L534-L566 HydrophobicContact CD2-CG 4.08Å; L534-L566 HydrophobicContact CG-CD2 4.21Å; L534-W588 HydrophobicContact CD1-CB 4.09Å; L534-W588 HydrophobicContact CD1-CD2 4.2Å; L534-W588 HydrophobicContact CD1-CG 3.68Å; L534-W588 HydrophobicContact CG-CB 4.26Å; L534-W588 HydrophobicContact CG-CG 4.33Å; L534-E589 PolarHBondContact N-O 2.95Å; L534-K591 PolarHBondContact O-N 3.39Å
535	Y	91.8	Very high	88.3	Confident	146 Å²	146	70.9 Å²	70.9	57%	0.573	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	105	173.7	-67.9	-92.3	0	0	0	108.4	R533 K591	R533-Y535 WeakPolarHBondContact CD-OH 3.28Å; R533-Y535 HydrophobicContact CG-CE2 4.02Å; Y535-K591 CarbonylContact C-O 3.53Å; Y535-K591 VanDerWaalsContact CA-O 3.29Å; Y535-K591 WeakPolarHBondContact CA-O 3.33Å; Y535-K591 HydrophobicContact CD1-CB 3.96Å; Y535-K591 HydrophobicContact CE1-CB 4.07Å; Y535-K591 HydrophobicContact CE1-CG 4.45Å
536	I	93.4	Very high	88.2	Confident	1 Å²	1	74 Å²	74	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.1	-169.2	-57.8	178.3	0	0	0	110	L534 V558 V562 K591 F592 I593	L534-I536 HydrophobicContact CB-CD1 4.48Å; L534-I536 HydrophobicContact CB-CG1 4.23Å; I536-V558 HydrophobicContact CD1-CG1 4.33Å; I536-V558 HydrophobicContact CG2-CG1 4.02Å; I536-V558 HydrophobicContact CG2-CG2 4.15Å; I536-V562 HydrophobicContact CD1-CG2 3.54Å; I536-V562 HydrophobicContact CG1-CG2 4.4Å; I536-K591 PolarHBondContact N-O 2.96Å; I536-F592 HydrophobicContact CB-CD1 3.76Å; I536-F592 HydrophobicContact CB-CE1 3.94Å; I536-F592 HydrophobicContact CD1-CE1 4.1Å; I536-F592 HydrophobicContact CG2-CD1 3.95Å; I536-F592 HydrophobicContact CG2-CE1 3.91Å; I536-F592 CarbonylContact O-C 3.52Å; I536-F592 VanDerWaalsContact O-CA 3.3Å; I536-F592 WeakPolarHBondContact O-CA 3.3Å; I536-I593 PolarHBondContact O-N 2.77Å
537	N	93.4	Very high	88.5	Confident	25 Å²	25	70.5 Å²	70.5	13%	0.134	35%	0.347	C	S	.	.			trans	-101.3	96.2	175.6	-165.2	-45.2	0	0	0	110.7	R539 L540 A541 Q561 I593	N537-R539 PolarHBondContact OD1-N 2.87Å; N537-L540 HydrophobicContact CB-CB 4.22Å; N537-L540 HydrophobicContact CB-CD1 4.01Å; N537-L540 HydrophobicContact CB-CG 4.22Å; N537-L540 PolarHBondContact O-N 3.47Å; N537-L540 PolarHBondContact OD1-N 3.34Å; N537-A541 PolarHBondContact O-N 2.9Å; N537-Q561 PolarHBondContact O-NE2 2.76Å; N537-I593 HydrophobicContact CB-CD1 4.27Å
538	R	90.5	Very high	88.7	Confident	42 Å²	42	68.5 Å²	68.5	16%	0.158	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-34.9	177.1	-78.6	169	150.3	173.7	-4.9	113.2	L540 A541 M542 F592 E595 D606 D610	R538-L540 VanDerWaalsContact C-N 3.31Å; R538-L540 PolarHBondContact O-N 3.37Å; R538-A541 CarbonylContact O-C 3.53Å; R538-A541 WeakPolarHBondContact O-CA 3.41Å; R538-A541 WeakPolarHBondContact O-CB 3.35Å; R538-A541 PolarHBondContact O-N 2.69Å; R538-M542 WeakPolarHBondContact O-CG 3.29Å; R538-M542 PolarHBondContact O-N 3.33Å; R538-F592 HydrophobicContact CG-CD1 3.76Å; R538-F592 HydrophobicContact CG-CE1 3.98Å; R538-F592 HydrophobicContact CG-CG 4.45Å; R538-F592 VanDerWaalsContact NH1-CD2 3.31Å; R538-F592 VanDerWaalsContact NH1-CE2 3.31Å; R538-E595 WeakPolarHBondContact CB-OE1 3.5Å; R538-E595 WeakPolarHBondContact CD-OE1 3.37Å; R538-E595 WeakPolarHBondContact CD-OE2 3.38Å; R538-E595 IonicContact CZ-OE2 2.96Å; R538-E595 IonicContact NE-OE2 3.62Å; R538-E595 IonicContact NH1-OE2 3.55Å; R538-E595 PolarHBondContact NH1-OE2 3.08Å; R538-D606 VanDerWaalsContact NH2-CB 3.32Å; R538-D610 IonicContact CZ-OD2 3.65Å; R538-D610 VanDerWaalsContact CZ-OD2 3.28Å; R538-D610 IonicContact NE-OD2 3.82Å; R538-D610 PolarHBondContact NE-OD2 2.9Å; R538-D610 IonicContact NH2-OD1 2.79Å; R538-D610 IonicContact NH2-OD2 2.86Å; R538-D610 PolarHBondContact NH2-OD2 2.91Å
539	R	89.6	Confident	89	Confident	150 Å²	150	71.2 Å²	71.2	57%	0.566	36%	0.362	S	S	*	.	H	α-helix	trans	-59.1	-42.8	176.7	-177.9	174.1	59.5	78.5	-5.3	111.6	N537 A541 M542 E543	N537-R539 PolarHBondContact OD1-N 2.87Å; R539-A541 VanDerWaalsContact C-N 3.34Å; R539-A541 PolarHBondContact O-N 3.07Å; R539-M542 PolarHBondContact O-N 2.8Å; R539-E543 WeakPolarHBondContact CG-OE1 3.45Å; R539-E543 IonicContact CZ-OE1 2.7Å; R539-E543 IonicContact NH1-OE1 3.18Å; R539-E543 PolarHBondContact NH1-OE1 3.23Å; R539-E543 WeakPolarHBondContact O-CG 3.27Å; R539-E543 PolarHBondContact O-N 3.14Å
540	L	91.8	Very high	89.3	Confident	49 Å²	49	76.6 Å²	76.6	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-35.3	174.2	-69.9	178.6	0	0	0	112.6	N537 R538 E543 H544 N556	N537-L540 HydrophobicContact CB-CB 4.22Å; N537-L540 HydrophobicContact CB-CD1 4.01Å; N537-L540 HydrophobicContact CB-CG 4.22Å; N537-L540 PolarHBondContact O-N 3.47Å; N537-L540 PolarHBondContact OD1-N 3.34Å; R538-L540 VanDerWaalsContact C-N 3.31Å; R538-L540 PolarHBondContact O-N 3.37Å; L540-E543 PolarHBondContact O-N 2.96Å; L540-H544 WeakPolarHBondContact O-CB 3.39Å; L540-H544 PolarHBondContact O-N 2.7Å; L540-N556 HydrophobicContact CB-CB 4.04Å
541	A	91.5	Very high	89.7	Confident	7 Å²	7	69.2 Å²	69.2	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-67.6	-38.8	173.8	0	0	0	0	0	112.5	N537 R538 R539 H544 R545 N556 V558	N537-A541 PolarHBondContact O-N 2.9Å; R538-A541 CarbonylContact O-C 3.53Å; R538-A541 WeakPolarHBondContact O-CA 3.41Å; R538-A541 WeakPolarHBondContact O-CB 3.35Å; R538-A541 PolarHBondContact O-N 2.69Å; R539-A541 VanDerWaalsContact C-N 3.34Å; R539-A541 PolarHBondContact O-N 3.07Å; A541-H544 PolarHBondContact O-N 3Å; A541-R545 WeakPolarHBondContact O-CB 3.47Å; A541-R545 PolarHBondContact O-N 3.45Å; A541-N556 WeakPolarHBondContact CA-O 3.45Å; A541-N556 WeakPolarHBondContact CB-O 3.45Å; A541-N556 PolarHBondContact N-O 3.06Å; A541-V558 HydrophobicContact CB-CG2 3.61Å
542	M	88.6	Confident	89.8	Confident	135 Å²	135	72.2 Å²	72.2	67%	0.665	36%	0.358	S	S	*	.	H	α-helix	trans	-64.8	-43.5	172.6	-67.8	173.3	73.5	0	0	111.8	R538 R539 H544 R545 A546	R538-M542 WeakPolarHBondContact O-CG 3.29Å; R538-M542 PolarHBondContact O-N 3.33Å; R539-M542 PolarHBondContact O-N 2.8Å; M542-H544 VanDerWaalsContact C-N 3.32Å; M542-H544 PolarHBondContact O-N 2.91Å; M542-R545 PolarHBondContact O-N 2.7Å; M542-A546 WeakPolarHBondContact O-CB 3.36Å; M542-A546 PolarHBondContact O-N 2.79Å
543	E	90.1	Very high	89.7	Confident	95 Å²	95	73 Å²	73	44%	0.444	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-39.1	174.5	-74.8	172.6	-150.4	0	0	111.8	R539 L540 C547	R539-E543 WeakPolarHBondContact CG-OE1 3.45Å; R539-E543 IonicContact CZ-OE1 2.7Å; R539-E543 IonicContact NH1-OE1 3.18Å; R539-E543 PolarHBondContact NH1-OE1 3.23Å; R539-E543 WeakPolarHBondContact O-CG 3.27Å; R539-E543 PolarHBondContact O-N 3.14Å; L540-E543 PolarHBondContact O-N 2.96Å; E543-C547 PolarHBondContact O-N 3.04Å
544	H	90.1	Very high	89.8	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-50.5	171.6	168.6	-107	0	0	0	111.9	L540 A541 M542 A546 C547 P548 C554 N556 P625	L540-H544 WeakPolarHBondContact O-CB 3.39Å; L540-H544 PolarHBondContact O-N 2.7Å; A541-H544 PolarHBondContact O-N 3Å; M542-H544 VanDerWaalsContact C-N 3.32Å; M542-H544 PolarHBondContact O-N 2.91Å; H544-A546 VanDerWaalsContact C-N 3.26Å; H544-A546 PolarHBondContact O-N 2.88Å; H544-C547 CarbonylContact O-C 3.06Å; H544-C547 PolarHBondContact O-N 2.91Å; H544-P548 VanDerWaalsContact O-CA 3.27Å; H544-P548 WeakPolarHBondContact O-CA 3.49Å; H544-P548 WeakPolarHBondContact O-CD 3.27Å; H544-P548 WeakPolarHBondContact O-CG 3.17Å; H544-C554 PolarHBondContact NE2-SG 2.81Å; H544-C554 VanDerWaalsContact NE2-SG 3.44Å; H544-N556 HydrophobicContact CB-CB 4.09Å; H544-P625 PolarHBondContact CE1-O 2.73Å; H544-P625 PolarHBondContact NE2-O 2.7Å
545	R	87.1	Confident	89.8	Confident	72 Å²	72	73.6 Å²	73.6	27%	0.272	38%	0.375	S	S	.	.	H	α-helix	trans	-58.9	-36	178.8	-175.9	176.7	179.1	151.7	-0.3	112.6	A541 M542 E613 T622	A541-R545 WeakPolarHBondContact O-CB 3.47Å; A541-R545 PolarHBondContact O-N 3.45Å; M542-R545 PolarHBondContact O-N 2.7Å; R545-E613 IonicContact CZ-OE1 3.45Å; R545-E613 VanDerWaalsContact NH1-CG 3.29Å; R545-E613 IonicContact NH1-OE1 2.69Å; R545-E613 IonicContact NH2-OE1 3.42Å; R545-E613 PolarHBondContact NH2-OE1 3.32Å; R545-T622 VanDerWaalsContact NH2-CG2 3.29Å
546	A	87.3	Confident	89.9	Confident	88 Å²	88	69.3 Å²	69.3	73%	0.727	36%	0.362	S	S	*	.	H	α-helix	trans	-73.9	-25.7	175.8	0	0	0	0	0	113.5	M542 H544	M542-A546 WeakPolarHBondContact O-CB 3.36Å; M542-A546 PolarHBondContact O-N 2.79Å; H544-A546 VanDerWaalsContact C-N 3.26Å; H544-A546 PolarHBondContact O-N 2.88Å
547	C	87.1	Confident	90	Very high	43 Å²	43	69.3 Å²	69.3	29%	0.291	36%	0.362	S	S	.	.			trans	-152.7	73	-179	-161.3	0	0	0	0	112.6	E543 H544 S549 R550	E543-C547 PolarHBondContact O-N 3.04Å; H544-C547 CarbonylContact O-C 3.06Å; H544-C547 PolarHBondContact O-N 2.91Å; C547-S549 PolarHBondContact O-N 2.78Å; C547-S549 VanDerWaalsContact O-N 3.07Å; C547-R550 HydrophobicContact CB-CG 4.35Å; C547-R550 WeakPolarHBondContact O-CB 3.32Å; C547-R550 PolarHBondContact O-N 2.9Å
548	P	87.1	Confident	90.1	Very high	39 Å²	39	68.3 Å²	68.3	25%	0.253	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-60.4	-27.2	-172.4	-26.4	35	0	0	0	113.8	H544 R550 D551 P625	H544-P548 VanDerWaalsContact O-CA 3.27Å; H544-P548 WeakPolarHBondContact O-CA 3.49Å; H544-P548 WeakPolarHBondContact O-CD 3.27Å; H544-P548 WeakPolarHBondContact O-CG 3.17Å; P548-R550 PolarHBondContact O-N 3.49Å; P548-R550 VanDerWaalsContact O-N 3.12Å; P548-D551 CarbonylContact O-C 3.58Å; P548-D551 PolarHBondContact O-N 3.01Å; P548-P625 HydrophobicContact CG-CB 4.48Å
549	S	87.4	Confident	90.4	Very high	97 Å²	97	66.3 Å²	66.3	68%	0.678	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.8	-12.6	176.2	55.5	0	0	0	0	114.9	C547	C547-S549 PolarHBondContact O-N 2.78Å; C547-S549 VanDerWaalsContact O-N 3.07Å
550	R	89.1	Confident	90.7	Very high	217 Å²	217	59.3 Å²	59.3	82%	0.819	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-81.5	-21.7	172	-74.4	-179.8	170.3	-164.5	-3.2	113.9	C547 P548	C547-R550 HydrophobicContact CB-CG 4.35Å; C547-R550 WeakPolarHBondContact O-CB 3.32Å; C547-R550 PolarHBondContact O-N 2.9Å; P548-R550 PolarHBondContact O-N 3.49Å; P548-R550 VanDerWaalsContact O-N 3.12Å
551	D	89.9	Confident	90.9	Very high	18 Å²	18	58.9 Å²	58.9	10%	0.096	32%	0.32	C	S	.	.			trans	-135.6	75.7	172.2	175.4	21	0	0	0	109.9	P548 A553 C554 K555 N556	P548-D551 CarbonylContact O-C 3.58Å; P548-D551 PolarHBondContact O-N 3.01Å; D551-A553 PolarHBondContact O-N 3.18Å; D551-A553 PolarHBondContact OD1-N 2.8Å; D551-C554 PolarHBondContact O-N 3.16Å; D551-C554 PolarHBondContact OD1-N 3.06Å; D551-K555 PolarHBondContact OD1-N 2.93Å; D551-K555 WeakPolarHBondContact OD2-CA 3.48Å; D551-K555 PolarHBondContact OD2-N 3.42Å; D551-N556 WeakPolarHBondContact OD2-CB 3.23Å; D551-N556 PolarHBondContact OD2-N 3.08Å
552	P	87.4	Confident	91.2	Very high	114 Å²	114	58.5 Å²	58.5	74%	0.74	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-2	-179.2	-20.9	34.3	0	0	0	114.7
553	A	87.8	Confident	91.5	Very high	51 Å²	51	53.9 Å²	53.9	42%	0.421	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-1.2	172.4	0	0	0	0	0	112.4	D551 K555	D551-A553 PolarHBondContact O-N 3.18Å; D551-A553 PolarHBondContact OD1-N 2.8Å; A553-K555 HydrophobicContact CB-CD 4.3Å; A553-K555 HydrophobicContact CB-CG 3.94Å; A553-K555 PolarHBondContact O-N 2.92Å; A553-K555 VanDerWaalsContact O-N 3.12Å
554	C	92	Very high	91.7	Very high	13 Å²	13	53.8 Å²	53.8	9%	0.088	29%	0.292	C	S	.	.			trans	51.7	29.6	180	-54.4	0	0	0	0	114	H544 D551 N556 A557 T560 L626	H544-C554 PolarHBondContact NE2-SG 2.81Å; H544-C554 VanDerWaalsContact NE2-SG 3.44Å; D551-C554 PolarHBondContact O-N 3.16Å; D551-C554 PolarHBondContact OD1-N 3.06Å; C554-N556 VanDerWaalsContact C-N 3.28Å; C554-N556 PolarHBondContact O-N 2.88Å; C554-A557 HydrophobicContact CB-CB 4.46Å; C554-A557 WeakPolarHBondContact O-CB 3.4Å; C554-A557 PolarHBondContact O-N 2.73Å; C554-T560 WeakPolarHBondContact O-CB 3.21Å; C554-T560 PolarHBondContact O-OG1 2.81Å; C554-L626 HydrophobicContact CB-CD2 3.7Å
555	K	92.5	Very high	91.8	Very high	140 Å²	140	55.6 Å²	55.6	61%	0.609	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.8	-178.3	-66.2	177.1	179.3	-179.2	0	112.8	D551 A553	D551-K555 PolarHBondContact OD1-N 2.93Å; D551-K555 WeakPolarHBondContact OD2-CA 3.48Å; D551-K555 PolarHBondContact OD2-N 3.42Å; A553-K555 HydrophobicContact CB-CD 4.3Å; A553-K555 HydrophobicContact CB-CG 3.94Å; A553-K555 PolarHBondContact O-N 2.92Å; A553-K555 VanDerWaalsContact O-N 3.12Å
556	N	93.9	Very high	92.1	Very high	56 Å²	56	53.1 Å²	53.1	30%	0.299	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.3	-177.1	-70.6	-18.8	0	0	0	113.3	L540 A541 H544 D551 C554 Q561	L540-N556 HydrophobicContact CB-CB 4.04Å; A541-N556 WeakPolarHBondContact CA-O 3.45Å; A541-N556 WeakPolarHBondContact CB-O 3.45Å; A541-N556 PolarHBondContact N-O 3.06Å; H544-N556 HydrophobicContact CB-CB 4.09Å; D551-N556 WeakPolarHBondContact OD2-CB 3.23Å; D551-N556 PolarHBondContact OD2-N 3.08Å; C554-N556 VanDerWaalsContact C-N 3.28Å; C554-N556 PolarHBondContact O-N 2.88Å; N556-Q561 PolarHBondContact O-NE2 2.85Å
557	A	95.1	Very high	92.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-62.5	143	173.5	0	0	0	0	0	111.1	C554 F559 T560 Q561 E614 L626	C554-A557 HydrophobicContact CB-CB 4.46Å; C554-A557 WeakPolarHBondContact O-CB 3.4Å; C554-A557 PolarHBondContact O-N 2.73Å; A557-F559 PolarHBondContact O-N 3.29Å; A557-T560 PolarHBondContact O-N 3.43Å; A557-T560 VanDerWaalsContact O-N 3.08Å; A557-Q561 WeakPolarHBondContact O-CG 3.42Å; A557-Q561 PolarHBondContact O-N 2.87Å; A557-E614 VanDerWaalsContact CA-OE1 3.26Å; A557-E614 WeakPolarHBondContact CA-OE1 3.23Å; A557-E614 WeakPolarHBondContact CB-OE1 3.38Å; A557-L626 HydrophobicContact CB-CD2 3.67Å
558	V	96.1	Very high	92	Very high	4 Å²	4	53 Å²	53	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-54.8	-42.8	177.5	177.9	0	0	0	0	110.6	I536 A541 T560 Q561 V562 D610 M611 E614	I536-V558 HydrophobicContact CD1-CG1 4.33Å; I536-V558 HydrophobicContact CG2-CG1 4.02Å; I536-V558 HydrophobicContact CG2-CG2 4.15Å; A541-V558 HydrophobicContact CB-CG2 3.61Å; V558-T560 VanDerWaalsContact C-N 3.33Å; V558-T560 PolarHBondContact O-N 3.22Å; V558-Q561 PolarHBondContact O-N 3.08Å; V558-V562 HydrophobicContact CG1-CG2 4.17Å; V558-V562 WeakPolarHBondContact O-CG2 3.15Å; V558-V562 PolarHBondContact O-N 3.01Å; V558-D610 HydrophobicContact CB-CB 4.2Å; V558-D610 HydrophobicContact CG1-CB 3.99Å; V558-D610 HydrophobicContact CG2-CB 4.1Å; V558-M611 HydrophobicContact CG1-CG 4.06Å; V558-E614 VanDerWaalsContact N-CD 3.27Å; V558-E614 PolarHBondContact N-OE1 2.66Å; V558-E614 PolarHBondContact N-OE2 2.91Å
559	F	96.9	Very high	91.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-54.9	-44.3	176.5	179.2	-96.9	0	0	0	113.3	A557 Y563 M611 E614 L615 L626 F628 K657 W660 I661	A557-F559 PolarHBondContact O-N 3.29Å; F559-Y563 VanDerWaalsContact O-CB 3.3Å; F559-Y563 WeakPolarHBondContact O-CB 3.25Å; F559-Y563 PolarHBondContact O-N 3.2Å; F559-M611 HydrophobicContact CB-CG 4.02Å; F559-M611 HydrophobicContact CB-SD 4.39Å; F559-M611 HydrophobicContact CD2-CB 4.36Å; F559-M611 HydrophobicContact CD2-CG 4.25Å; F559-M611 HydrophobicContact CD2-SD 3.92Å; F559-E614 WeakPolarHBondContact CB-OE2 3.44Å; F559-E614 PolarHBondContact N-OE2 3.36Å; F559-L615 HydrophobicContact CD1-CD2 4.48Å; F559-L615 HydrophobicContact CD2-CD1 3.86Å; F559-L615 HydrophobicContact CD2-CD2 4Å; F559-L615 HydrophobicContact CD2-CG 4.07Å; F559-L615 HydrophobicContact CE1-CD2 4.44Å; F559-L615 HydrophobicContact CE2-CD1 3.84Å; F559-L615 HydrophobicContact CE2-CD2 3.98Å; F559-L615 HydrophobicContact CE2-CG 4.31Å; F559-L615 HydrophobicContact CG-CD2 4.26Å; F559-L615 HydrophobicContact CZ-CD2 4.21Å; F559-L626 HydrophobicContact CB-CD1 3.71Å; F559-L626 HydrophobicContact CD1-CD1 4Å; F559-L626 HydrophobicContact CG-CD1 3.94Å; F559-F628 HydrophobicContact CD1-CD2 4.37Å; F559-F628 AromaticContact CD1-CE2 3.63Å; F559-F628 HydrophobicContact CD1-CE2 3.63Å; F559-F628 HydrophobicContact CD1-CZ 4.31Å; F559-F628 AromaticContact CE1-CD2 3.97Å; F559-F628 HydrophobicContact CE1-CD2 3.97Å; F559-F628 AromaticContact CE1-CE2 3.37Å; F559-F628 HydrophobicContact CE1-CE2 3.37Å; F559-F628 AromaticContact CE1-CZ 3.83Å; F559-F628 HydrophobicContact CE1-CZ 3.83Å; F559-F628 HydrophobicContact CZ-CE2 4.34Å; F559-K657 HydrophobicContact CE1-CB 4.1Å; F559-K657 HydrophobicContact CE1-CD 4.04Å; F559-K657 HydrophobicContact CE1-CG 4.3Å; F559-K657 HydrophobicContact CZ-CB 4.3Å; F559-W660 HydrophobicContact CD2-CE3 4.35Å; F559-W660 HydrophobicContact CD2-CH2 4.47Å; F559-W660 AromaticContact CD2-CZ3 3.63Å; F559-W660 HydrophobicContact CD2-CZ3 3.63Å; F559-W660 HydrophobicContact CE1-CE3 4.38Å; F559-W660 HydrophobicContact CE1-CZ3 4.3Å; F559-W660 AromaticContact CE2-CE3 3.59Å; F559-W660 HydrophobicContact CE2-CE3 3.59Å; F559-W660 HydrophobicContact CE2-CH2 4.41Å; F559-W660 AromaticContact CE2-CZ3 3.32Å; F559-W660 HydrophobicContact CE2-CZ3 3.32Å; F559-W660 HydrophobicContact CG-CZ3 4.23Å; F559-W660 AromaticContact CZ-CE3 3.6Å; F559-W660 HydrophobicContact CZ-CE3 3.6Å; F559-W660 AromaticContact CZ-CZ3 3.7Å; F559-W660 HydrophobicContact CZ-CZ3 3.7Å; F559-I661 HydrophobicContact CE2-CD1 4.17Å; F559-I661 HydrophobicContact CE2-CG1 3.66Å; F559-I661 HydrophobicContact CZ-CD1 3.79Å; F559-I661 HydrophobicContact CZ-CG1 3.6Å
560	T	96.1	Very high	91.1	Very high	4 Å²	4	56 Å²	56	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-76.6	-35.7	178.2	-52	0	0	0	0	111.7	C554 A557 V558 V562 Y563 E564	C554-T560 WeakPolarHBondContact O-CB 3.21Å; C554-T560 PolarHBondContact O-OG1 2.81Å; A557-T560 PolarHBondContact O-N 3.43Å; A557-T560 VanDerWaalsContact O-N 3.08Å; V558-T560 VanDerWaalsContact C-N 3.33Å; V558-T560 PolarHBondContact O-N 3.22Å; T560-V562 VanDerWaalsContact C-N 3.33Å; T560-V562 PolarHBondContact O-N 3.23Å; T560-Y563 PolarHBondContact O-N 3.32Å; T560-E564 HydrophobicContact CG2-CG 3.92Å; T560-E564 WeakPolarHBondContact O-CB 3.48Å; T560-E564 VanDerWaalsContact O-CG 3.3Å; T560-E564 WeakPolarHBondContact O-CG 3.02Å; T560-E564 PolarHBondContact O-N 3.14Å
561	Q	96.8	Very high	90.5	Very high	39 Å²	39	53.6 Å²	53.6	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-42.9	174.4	-69.6	-175.5	69.4	0	0	111.6	N537 N556 A557 V558 G565	N537-Q561 PolarHBondContact O-NE2 2.76Å; N556-Q561 PolarHBondContact O-NE2 2.85Å; A557-Q561 WeakPolarHBondContact O-CG 3.42Å; A557-Q561 PolarHBondContact O-N 2.87Å; V558-Q561 PolarHBondContact O-N 3.08Å; Q561-G565 PolarHBondContact O-N 2.83Å
562	V	96.3	Very high	89.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.1	-47.2	174.4	177.3	0	0	0	0	111	L534 I536 V558 T560 E564 G565 L566 W588 M611 W660	L534-V562 HydrophobicContact CD1-CB 4.2Å; L534-V562 HydrophobicContact CD1-CG1 3.75Å; L534-V562 HydrophobicContact CD1-CG2 4.06Å; I536-V562 HydrophobicContact CD1-CG2 3.54Å; I536-V562 HydrophobicContact CG1-CG2 4.4Å; V558-V562 HydrophobicContact CG1-CG2 4.17Å; V558-V562 WeakPolarHBondContact O-CG2 3.15Å; V558-V562 PolarHBondContact O-N 3.01Å; T560-V562 VanDerWaalsContact C-N 3.33Å; T560-V562 PolarHBondContact O-N 3.23Å; V562-E564 PolarHBondContact O-N 3.22Å; V562-G565 PolarHBondContact O-N 3.46Å; V562-L566 HydrophobicContact CG1-CD1 3.68Å; V562-L566 HydrophobicContact CG1-CG 4.28Å; V562-L566 WeakPolarHBondContact O-CB 3.49Å; V562-L566 WeakPolarHBondContact O-CG 3.43Å; V562-L566 PolarHBondContact O-N 3.07Å; V562-W588 HydrophobicContact CG1-CH2 4.35Å; V562-W588 HydrophobicContact CG1-CZ2 4.11Å; V562-M611 HydrophobicContact CB-SD 3.84Å; V562-M611 HydrophobicContact CG1-CE 4.18Å; V562-M611 HydrophobicContact CG1-SD 3.99Å; V562-M611 HydrophobicContact CG2-SD 4.03Å; V562-W660 HydrophobicContact CB-CH2 3.94Å; V562-W660 HydrophobicContact CG1-CH2 3.53Å; V562-W660 HydrophobicContact CG1-CZ2 3.72Å
563	Y	95.6	Very high	89.5	Confident	38 Å²	38	60.8 Å²	60.8	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-47	179.6	177.7	-117	0	0	0	113	F559 T560 K567 A656 K657 W660	F559-Y563 VanDerWaalsContact O-CB 3.3Å; F559-Y563 WeakPolarHBondContact O-CB 3.25Å; F559-Y563 PolarHBondContact O-N 3.2Å; T560-Y563 PolarHBondContact O-N 3.32Å; Y563-K567 VanDerWaalsContact CE1-CE 3.43Å; Y563-K567 WeakPolarHBondContact O-CG 3.31Å; Y563-A656 WeakPolarHBondContact OH-CB 3.34Å; Y563-K657 HydrophobicContact CD1-CD 4.07Å; Y563-K657 VanDerWaalsContact CD1-CE 3.5Å; Y563-K657 HydrophobicContact CD1-CG 3.8Å; Y563-K657 HydrophobicContact CD2-CG 4.43Å; Y563-K657 HydrophobicContact CE1-CD 4.13Å; Y563-K657 HydrophobicContact CE1-CG 3.57Å; Y563-K657 HydrophobicContact CE2-CG 4.26Å; Y563-K657 HydrophobicContact CG-CG 4.21Å; Y563-W660 HydrophobicContact CD2-CB 4.01Å; Y563-W660 AromaticContact CD2-CD2 3.59Å; Y563-W660 HydrophobicContact CD2-CD2 3.59Å; Y563-W660 AromaticContact CD2-CE3 3.55Å; Y563-W660 HydrophobicContact CD2-CE3 3.55Å; Y563-W660 AromaticContact CD2-CG 3.78Å; Y563-W660 HydrophobicContact CD2-CG 3.78Å; Y563-W660 HydrophobicContact CD2-CZ3 4.24Å; Y563-W660 HydrophobicContact CE2-CB 3.88Å; Y563-W660 HydrophobicContact CE2-CD2 4.36Å; Y563-W660 HydrophobicContact CE2-CG 4.08Å; Y563-W660 HydrophobicContact CG-CD2 4.45Å; Y563-W660 HydrophobicContact CG-CE3 4.02Å; Y563-W660 HydrophobicContact CG-CZ3 4.33Å
564	E	94.3	Very high	89.1	Confident	92 Å²	92	67 Å²	67	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-72.1	-37.6	178.9	-61.7	-63.1	139.4	0	0	111.5	T560 V562 L566 K567	T560-E564 HydrophobicContact CG2-CG 3.92Å; T560-E564 WeakPolarHBondContact O-CB 3.48Å; T560-E564 VanDerWaalsContact O-CG 3.3Å; T560-E564 WeakPolarHBondContact O-CG 3.02Å; T560-E564 PolarHBondContact O-N 3.14Å; V562-E564 PolarHBondContact O-N 3.22Å; E564-L566 VanDerWaalsContact C-N 3.32Å; E564-L566 PolarHBondContact O-N 2.98Å; E564-K567 WeakPolarHBondContact O-CB 3.48Å; E564-K567 PolarHBondContact O-N 3.31Å; E564-K567 IonicContact OE1-NZ 2.72Å; E564-K567 PolarHBondContact OE1-NZ 3.13Å; E564-K567 WeakPolarHBondContact OE2-CE 3.49Å; E564-K567 IonicContact OE2-NZ 2.76Å; E564-K567 PolarHBondContact OE2-NZ 2.77Å
565	G	92.9	Very high	88.8	Confident	43 Å²	43	71 Å²	71	44%	0.443	36%	0.358	S	S	.	.	H	α-helix	trans	-71.3	-19.5	179	0	0	0	0	0	115.3	L534 Q561 V562	L534-G565 VanDerWaalsContact CD2-C 3.46Å; L534-G565 WeakPolarHBondContact CD2-O 3.38Å; Q561-G565 PolarHBondContact O-N 2.83Å; V562-G565 PolarHBondContact O-N 3.46Å
566	L	92.9	Very high	88.6	Confident	20 Å²	20	65.7 Å²	65.7	11%	0.105	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.3	173.5	-67.3	177.2	0	0	0	113.9	P532 L534 V562 E564 L576 W588 W660	P532-L566 HydrophobicContact CB-CD2 3.82Å; P532-L566 HydrophobicContact CG-CD2 3.75Å; L534-L566 HydrophobicContact CD1-CD1 4.41Å; L534-L566 HydrophobicContact CD1-CD2 4.04Å; L534-L566 HydrophobicContact CD1-CG 4Å; L534-L566 HydrophobicContact CD2-CD2 3.87Å; L534-L566 HydrophobicContact CD2-CG 4.08Å; L534-L566 HydrophobicContact CG-CD2 4.21Å; V562-L566 HydrophobicContact CG1-CD1 3.68Å; V562-L566 HydrophobicContact CG1-CG 4.28Å; V562-L566 WeakPolarHBondContact O-CB 3.49Å; V562-L566 WeakPolarHBondContact O-CG 3.43Å; V562-L566 PolarHBondContact O-N 3.07Å; E564-L566 VanDerWaalsContact C-N 3.32Å; E564-L566 PolarHBondContact O-N 2.98Å; L566-L576 HydrophobicContact CD2-CD2 4.3Å; L566-W588 HydrophobicContact CD1-CD2 4.18Å; L566-W588 HydrophobicContact CD1-CE3 3.61Å; L566-W588 HydrophobicContact CD1-CZ3 3.95Å; L566-W588 HydrophobicContact CD2-CB 4.08Å; L566-W660 HydrophobicContact CD1-CZ2 4.04Å
567	K	88.7	Confident	88.3	Confident	80 Å²	80	65.5 Å²	65.5	35%	0.348	34%	0.335	S	S	.	.	S	Bend	trans	-73.2	144.6	173.2	-72	178.6	-172.5	174.5	0	111	Y563 E564 S569	Y563-K567 VanDerWaalsContact CE1-CE 3.43Å; Y563-K567 WeakPolarHBondContact O-CG 3.31Å; E564-K567 WeakPolarHBondContact O-CB 3.48Å; E564-K567 PolarHBondContact O-N 3.31Å; E564-K567 IonicContact OE1-NZ 2.72Å; E564-K567 PolarHBondContact OE1-NZ 3.13Å; E564-K567 WeakPolarHBondContact OE2-CE 3.49Å; E564-K567 IonicContact OE2-NZ 2.76Å; E564-K567 PolarHBondContact OE2-NZ 2.77Å; K567-S569 PolarHBondContact O-N 3.16Å
568	P	83.6	Confident	88.2	Confident	48 Å²	48	65.9 Å²	65.9	31%	0.312	34%	0.337	S	S	.	.			trans	-50.7	127.3	167.8	-29.2	37.4	0	0	0	111.7	D570 E573 P575	P568-D570 VanDerWaalsContact C-N 3.32Å; P568-E573 WeakPolarHBondContact CA-OE2 3.21Å; P568-E573 HydrophobicContact CB-CB 3.96Å; P568-E573 HydrophobicContact CB-CG 4.03Å; P568-E573 WeakPolarHBondContact CB-O 3.27Å; P568-P575 HydrophobicContact CG-CB 4.44Å; P568-P575 HydrophobicContact CG-CG 4.14Å
569	S	77.3	Confident	88	Confident	120 Å²	120	69.2 Å²	69.2	84%	0.839	35%	0.349	S	S	*	.	S	Bend	trans	-78.6	-19.9	178.1	-68.1	0	0	0	0	112.3	K567 E573	K567-S569 PolarHBondContact O-N 3.16Å; S569-E573 PolarHBondContact N-OE2 3.02Å
570	D	77.9	Confident	87.5	Confident	79 Å²	79	69.5 Å²	69.5	42%	0.422	35%	0.35	S	S	.	.	S	Bend	trans	-127.9	149.4	170.7	-169	7.8	0	0	0	110.8	P568 Y572 E573	P568-D570 VanDerWaalsContact C-N 3.32Å; D570-Y572 PolarHBondContact O-N 2.86Å; D570-Y572 VanDerWaalsContact O-N 3.07Å; D570-Y572 VanDerWaalsContact OD2-CD2 3.31Å; D570-Y572 WeakPolarHBondContact OD2-CD2 3.49Å; D570-E573 WeakPolarHBondContact O-CB 3.44Å; D570-E573 PolarHBondContact O-N 3.36Å
571	K	77.4	Confident	86.8	Confident	167 Å²	167	69.8 Å²	69.8	73%	0.726	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-11	176.1	46.1	160.8	173.5	166.6	0	114.6
572	Y	75.9	Confident	85.9	Confident	176 Å²	176	72.2 Å²	72.2	69%	0.69	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-14.7	174.2	-53.1	-56.7	0	0	0	113.1	D570	D570-Y572 PolarHBondContact O-N 2.86Å; D570-Y572 VanDerWaalsContact O-N 3.07Å; D570-Y572 VanDerWaalsContact OD2-CD2 3.31Å; D570-Y572 WeakPolarHBondContact OD2-CD2 3.49Å
573	E	79.2	Confident	85	Confident	107 Å²	107	80 Å²	80	50%	0.5	39%	0.394	S	S	.	.	S	Bend	trans	-76.2	137.2	174.1	176.6	170.9	-124	0	0	109.3	P568 S569 D570	P568-E573 WeakPolarHBondContact CA-OE2 3.21Å; P568-E573 HydrophobicContact CB-CB 3.96Å; P568-E573 HydrophobicContact CB-CG 4.03Å; P568-E573 WeakPolarHBondContact CB-O 3.27Å; S569-E573 PolarHBondContact N-OE2 3.02Å; D570-E573 WeakPolarHBondContact O-CB 3.44Å; D570-E573 PolarHBondContact O-N 3.36Å
574	K	80.1	Confident	84.2	Confident	181 Å²	181	82 Å²	82	79%	0.787	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-83.3	143.8	-179.1	-67.5	-177.8	-179.6	178.7	0	109.6
575	P	85.2	Confident	83.3	Confident	96 Å²	96	80.2 Å²	80.2	62%	0.623	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-51.4	146.7	166.5	-25	34.4	0	0	0	111.2	P568 D577	P568-P575 HydrophobicContact CG-CB 4.44Å; P568-P575 HydrophobicContact CG-CG 4.14Å; P575-D577 PolarHBondContact O-N 2.94Å
576	L	88.1	Confident	83	Confident	30 Å²	30	80 Å²	80	16%	0.157	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-57.8	123.3	177.9	-164.3	70	0	0	0	109.9	P528 P532 L566 Y578 W580	P528-L576 HydrophobicContact CG-CD1 4.23Å; P532-L576 HydrophobicContact CG-CD1 4.11Å; P532-L576 HydrophobicContact CG-CD2 4.12Å; L566-L576 HydrophobicContact CD2-CD2 4.3Å; L576-Y578 HydrophobicContact CB-CE2 4.41Å; L576-Y578 HydrophobicContact CD2-CE1 3.86Å; L576-Y578 WeakPolarHBondContact O-CD2 3.36Å; L576-Y578 WeakPolarHBondContact O-CE2 3.12Å; L576-W580 HydrophobicContact CD1-CH2 4.23Å; L576-W580 HydrophobicContact CD1-CZ2 3.79Å; L576-W580 HydrophobicContact CG-CZ2 4.12Å
577	D	88.8	Confident	82.8	Confident	51 Å²	51	79.3 Å²	79.3	27%	0.273	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-83.5	139.2	170.1	-168.5	-10	0	0	0	108.4	S525 P575 R579 W580	S525-D577 VanDerWaalsContact CB-OD2 3.27Å; S525-D577 WeakPolarHBondContact CB-OD2 3.21Å; S525-D577 PolarHBondContact OG-OD2 3.35Å; P575-D577 PolarHBondContact O-N 2.94Å; D577-R579 WeakPolarHBondContact OD1-CB 3.45Å; D577-R579 VanDerWaalsContact OD1-CG 3.27Å; D577-R579 WeakPolarHBondContact OD1-CG 3.2Å; D577-R579 IonicContact OD1-CZ 3.76Å; D577-R579 PolarHBondContact OD1-N 2.93Å; D577-R579 VanDerWaalsContact OD1-N 3.08Å; D577-R579 IonicContact OD1-NE 3.92Å; D577-R579 PolarHBondContact OD1-NE 3.14Å; D577-R579 IonicContact OD2-CZ 2.72Å; D577-R579 VanDerWaalsContact OD2-CZ 3.3Å; D577-R579 IonicContact OD2-NE 3.3Å; D577-R579 PolarHBondContact OD2-NE 3.5Å; D577-R579 IonicContact OD2-NH2 2.64Å; D577-R579 PolarHBondContact OD2-NH2 3.36Å; D577-W580 WeakPolarHBondContact O-CZ2 3.24Å; D577-W580 PolarHBondContact O-NE1 3.36Å
578	Y	91.8	Very high	82.9	Confident	8 Å²	8	75.5 Å²	75.5	3%	0.031	36%	0.362	C	S	.	.			trans	-108.5	4.6	-178.2	-62.6	-89	0	0	0	112.8	L576 W580 W587 W588 W660 Q663 L664 A667 V785	L576-Y578 HydrophobicContact CB-CE2 4.41Å; L576-Y578 HydrophobicContact CD2-CE1 3.86Å; L576-Y578 WeakPolarHBondContact O-CD2 3.36Å; L576-Y578 WeakPolarHBondContact O-CE2 3.12Å; Y578-W580 PolarHBondContact O-N 2.77Å; Y578-W587 HydrophobicContact CD1-CB 4.38Å; Y578-W587 HydrophobicContact CD1-CD2 4.43Å; Y578-W587 HydrophobicContact CD1-CG 4.16Å; Y578-W587 HydrophobicContact CE1-CB 4.36Å; Y578-W588 HydrophobicContact CE1-CZ3 4.36Å; Y578-W660 AromaticContact CZ-NE1 3.85Å; Y578-W660 PolarHBondContact OH-NE1 3.07Å; Y578-Q663 HydrophobicContact CD2-CB 4.11Å; Y578-Q663 HydrophobicContact CE2-CB 4.2Å; Y578-L664 HydrophobicContact CE1-CD2 4.23Å; Y578-A667 HydrophobicContact CD1-CB 3.91Å; Y578-A667 HydrophobicContact CG-CB 4.16Å; Y578-V785 HydrophobicContact CD2-CG2 4.42Å
579	R	92.7	Very high	83.2	Confident	74 Å²	74	75.2 Å²	75.2	28%	0.279	36%	0.356	S	S	.	.			trans	-79.6	33.2	-176.7	-60.9	177	-59.2	129.3	-3.3	113.9	S523 E524 S525 D577 V785	S523-R579 WeakPolarHBondContact O-CD 3.5Å; S523-R579 PolarHBondContact O-NH1 2.99Å; E524-R579 CarbonylContact C-O 3.59Å; E524-R579 WeakPolarHBondContact CA-O 3.17Å; S525-R579 PolarHBondContact N-O 2.64Å; D577-R579 WeakPolarHBondContact OD1-CB 3.45Å; D577-R579 VanDerWaalsContact OD1-CG 3.27Å; D577-R579 WeakPolarHBondContact OD1-CG 3.2Å; D577-R579 IonicContact OD1-CZ 3.76Å; D577-R579 PolarHBondContact OD1-N 2.93Å; D577-R579 VanDerWaalsContact OD1-N 3.08Å; D577-R579 IonicContact OD1-NE 3.92Å; D577-R579 PolarHBondContact OD1-NE 3.14Å; D577-R579 IonicContact OD2-CZ 2.72Å; D577-R579 VanDerWaalsContact OD2-CZ 3.3Å; D577-R579 IonicContact OD2-NE 3.3Å; D577-R579 PolarHBondContact OD2-NE 3.5Å; D577-R579 IonicContact OD2-NH2 2.64Å; D577-R579 PolarHBondContact OD2-NH2 3.36Å; R579-V785 HydrophobicContact CG-CB 4.42Å; R579-V785 HydrophobicContact CG-CG1 4.05Å; R579-V785 WeakPolarHBondContact CG-O 3.4Å
580	W	86.8	Confident	83.8	Confident	6 Å²	6	69.5 Å²	69.5	2%	0.023	32%	0.316	C	S	.	.			trans	-75.2	154.9	-173.7	-56	-10.8	0	0	0	112.1	K527 P528 M531 L576 D577 Y578 Y584 Q586 W587	K527-W580 HydrophobicContact CB-CD2 3.87Å; K527-W580 HydrophobicContact CB-CE3 4.05Å; K527-W580 HydrophobicContact CB-CG 4.16Å; P528-W580 VanDerWaalsContact CD-CE2 3.45Å; P528-W580 HydrophobicContact CG-CH2 3.96Å; P528-W580 HydrophobicContact CG-CZ2 3.76Å; M531-W580 HydrophobicContact CE-CZ3 3.99Å; M531-W580 HydrophobicContact SD-CH2 3.84Å; M531-W580 HydrophobicContact SD-CZ3 3.85Å; L576-W580 HydrophobicContact CD1-CH2 4.23Å; L576-W580 HydrophobicContact CD1-CZ2 3.79Å; L576-W580 HydrophobicContact CG-CZ2 4.12Å; D577-W580 WeakPolarHBondContact O-CZ2 3.24Å; D577-W580 PolarHBondContact O-NE1 3.36Å; Y578-W580 PolarHBondContact O-N 2.77Å; W580-Y584 HydrophobicContact CB-CD2 4.38Å; W580-Q586 WeakPolarHBondContact CZ3-O 3.49Å; W580-W587 AromaticContact CE3-CD1 3.9Å; W580-W587 HydrophobicContact CH2-CB 4.45Å; W580-W587 HydrophobicContact CZ3-CB 4.44Å; W580-W587 AromaticContact CZ3-CD1 3.94Å
581	P	80.6	Confident	84.3	Confident	10 Å²	10	68.1 Å²	68.1	7%	0.065	31%	0.306	C	S	.	.			trans	-57.4	143.6	172.4	-19.7	24.2	0	0	0	113	E524 S525 R583 Y584	E524-P581 VanDerWaalsContact CD-CA 3.47Å; E524-P581 WeakPolarHBondContact OE1-CA 3.46Å; E524-P581 VanDerWaalsContact OE2-CB 3.25Å; E524-P581 WeakPolarHBondContact OE2-CB 3.2Å; E524-P581 WeakPolarHBondContact OE2-CG 3.2Å; S525-P581 WeakPolarHBondContact O-CD 3.47Å; P581-R583 HydrophobicContact CB-CG 4.24Å; P581-R583 PolarHBondContact O-N 2.77Å; P581-Y584 HydrophobicContact CB-CD2 4.26Å; P581-Y584 HydrophobicContact CB-CE2 4.33Å; P581-Y584 HydrophobicContact CG-CD2 4.22Å; P581-Y584 HydrophobicContact CG-CE2 4.07Å; P581-Y584 PolarHBondContact O-N 2.89Å
582	M	78.2	Confident	84.7	Confident	91 Å²	91	60.6 Å²	60.6	45%	0.448	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-6.2	-174.1	-46.6	-168.8	91.1	0	0	115.9	Y584 R670 K672	M582-Y584 VanDerWaalsContact C-N 3.32Å; M582-R670 WeakPolarHBondContact CE-O 3.09Å; M582-R670 WeakPolarHBondContact CG-O 3.49Å; M582-K672 VanDerWaalsContact O-CE 3.23Å; M582-K672 WeakPolarHBondContact O-CE 3.49Å
583	R	76.2	Confident	85.2	Confident	164 Å²	164	56.2 Å²	56.2	62%	0.619	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-8	171.7	68.9	-176.5	177.4	-93.6	-0.7	113.9	P581	P581-R583 HydrophobicContact CB-CG 4.24Å; P581-R583 PolarHBondContact O-N 2.77Å
584	Y	79.7	Confident	85.3	Confident	79 Å²	79	56 Å²	56	31%	0.31	28%	0.278	S	S	.	.			trans	-114.3	96.3	174.6	-51.7	-63.4	0	0	0	109.1	K527 W580 P581 M582	K527-Y584 HydrophobicContact CB-CD2 4.4Å; K527-Y584 HydrophobicContact CD-CD1 3.97Å; K527-Y584 HydrophobicContact CD-CD2 4.43Å; K527-Y584 HydrophobicContact CD-CE1 3.84Å; K527-Y584 HydrophobicContact CD-CE2 4.29Å; K527-Y584 HydrophobicContact CD-CG 4.28Å; K527-Y584 HydrophobicContact CG-CE2 4.47Å; W580-Y584 HydrophobicContact CB-CD2 4.38Å; P581-Y584 HydrophobicContact CB-CD2 4.26Å; P581-Y584 HydrophobicContact CB-CE2 4.33Å; P581-Y584 HydrophobicContact CG-CD2 4.22Å; P581-Y584 HydrophobicContact CG-CE2 4.07Å; P581-Y584 PolarHBondContact O-N 2.89Å; M582-Y584 VanDerWaalsContact C-N 3.32Å
585	D	74.4	Confident	85.2	Confident	54 Å²	54	50.2 Å²	50.2	29%	0.289	25%	0.254	S	S	.	.			trans	-97.7	3.3	-175.2	35.5	21.7	0	0	0	114	F604 K672 E673	D585-F604 WeakPolarHBondContact O-CE1 3.33Å; D585-K672 HydrophobicContact CB-CB 4.47Å; D585-K672 WeakPolarHBondContact OD2-CD 3.31Å; D585-K672 WeakPolarHBondContact OD2-CE 3.33Å; D585-K672 IonicContact OD2-NZ 2.74Å; D585-K672 PolarHBondContact OD2-NZ 2.77Å; D585-E673 HydrophobicContact CB-CG 4.41Å
586	Q	86.8	Confident	84.2	Confident	39 Å²	39	48.3 Å²	48.3	18%	0.182	25%	0.252	C	S	.	.			trans	-119.2	122.8	174.5	174.7	164.6	18.9	0	0	110.7	M531 W580 W588 Q600 F604	M531-Q586 WeakPolarHBondContact CE-O 3.47Å; W580-Q586 WeakPolarHBondContact CZ3-O 3.49Å; Q586-W588 VanDerWaalsContact CG-O 3.26Å; Q586-W588 WeakPolarHBondContact CG-O 3.4Å; Q586-W588 PolarHBondContact NE2-O 3.26Å; Q586-Q600 PolarHBondContact NE2-O 2.64Å; Q586-F604 HydrophobicContact CB-CD1 4.2Å; Q586-F604 HydrophobicContact CB-CE1 4.44Å; Q586-F604 HydrophobicContact CB-CG 4.35Å; Q586-F604 HydrophobicContact CG-CB 4.06Å; Q586-F604 HydrophobicContact CG-CD1 4.15Å; Q586-F604 HydrophobicContact CG-CD2 4.04Å; Q586-F604 HydrophobicContact CG-CG 3.8Å
587	W	89.2	Confident	83	Confident	6 Å²	6	48.7 Å²	48.7	2%	0.023	25%	0.253	C	S	.	.	S	Bend	trans	-97.5	-16.6	-178.8	-52.9	-52.9	0	0	0	114.7	Y578 W580 F604 L608 A667	Y578-W587 HydrophobicContact CD1-CB 4.38Å; Y578-W587 HydrophobicContact CD1-CD2 4.43Å; Y578-W587 HydrophobicContact CD1-CG 4.16Å; Y578-W587 HydrophobicContact CE1-CB 4.36Å; W580-W587 AromaticContact CE3-CD1 3.9Å; W580-W587 HydrophobicContact CH2-CB 4.45Å; W580-W587 HydrophobicContact CZ3-CB 4.44Å; W580-W587 AromaticContact CZ3-CD1 3.94Å; W587-F604 HydrophobicContact CB-CE2 4.02Å; W587-F604 HydrophobicContact CB-CZ 4.43Å; W587-F604 HydrophobicContact CD2-CE2 4.27Å; W587-F604 AromaticContact CD2-CZ 3.89Å; W587-F604 HydrophobicContact CD2-CZ 3.89Å; W587-F604 AromaticContact CE3-CE2 3.84Å; W587-F604 HydrophobicContact CE3-CE2 3.84Å; W587-F604 AromaticContact CE3-CZ 3.47Å; W587-F604 HydrophobicContact CE3-CZ 3.47Å; W587-F604 VanDerWaalsContact CE3-CZ 3.47Å; W587-F604 HydrophobicContact CG-CE2 4.42Å; W587-F604 HydrophobicContact CG-CZ 4.36Å; W587-F604 AromaticContact CZ3-CZ 3.86Å; W587-F604 HydrophobicContact CZ3-CZ 3.86Å; W587-F604 VanDerWaalsContact N-CE2 3.27Å; W587-L608 HydrophobicContact CZ3-CD1 4.03Å; W587-L608 HydrophobicContact CZ3-CD2 4.24Å; W587-A667 HydrophobicContact CD2-CB 4Å; W587-A667 HydrophobicContact CE3-CB 4.03Å; W587-A667 HydrophobicContact CH2-CB 3.71Å; W587-A667 VanDerWaalsContact CZ2-C 3.4Å; W587-A667 HydrophobicContact CZ2-CB 3.61Å; W587-A667 VanDerWaalsContact CZ2-O 3.24Å; W587-A667 WeakPolarHBondContact CZ2-O 3.45Å; W587-A667 HydrophobicContact CZ3-CB 3.89Å
588	W	91.8	Very high	81.5	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-151.8	150.3	174.2	54.4	84.8	0	0	0	111.4	P532 L534 V562 L566 Y578 Q586 F604 S607 L608 M611 L664	P532-W588 HydrophobicContact CG-CB 4.12Å; P532-W588 CarbonylContact O-C 3.59Å; P532-W588 WeakPolarHBondContact O-CA 3.33Å; L534-W588 HydrophobicContact CD1-CB 4.09Å; L534-W588 HydrophobicContact CD1-CD2 4.2Å; L534-W588 HydrophobicContact CD1-CG 3.68Å; L534-W588 HydrophobicContact CG-CB 4.26Å; L534-W588 HydrophobicContact CG-CG 4.33Å; V562-W588 HydrophobicContact CG1-CH2 4.35Å; V562-W588 HydrophobicContact CG1-CZ2 4.11Å; L566-W588 HydrophobicContact CD1-CD2 4.18Å; L566-W588 HydrophobicContact CD1-CE3 3.61Å; L566-W588 HydrophobicContact CD1-CZ3 3.95Å; L566-W588 HydrophobicContact CD2-CB 4.08Å; Y578-W588 HydrophobicContact CE1-CZ3 4.36Å; Q586-W588 VanDerWaalsContact CG-O 3.26Å; Q586-W588 WeakPolarHBondContact CG-O 3.4Å; Q586-W588 PolarHBondContact NE2-O 3.26Å; W588-F604 AromaticContact CD1-CD2 3.78Å; W588-F604 AromaticContact CD2-CD2 3.79Å; W588-F604 HydrophobicContact CD2-CD2 3.79Å; W588-F604 AromaticContact CD2-CE2 3.76Å; W588-F604 HydrophobicContact CD2-CE2 3.76Å; W588-F604 AromaticContact CE2-CD2 3.56Å; W588-F604 AromaticContact CE2-CE2 3.66Å; W588-F604 HydrophobicContact CE3-CD2 4.47Å; W588-F604 AromaticContact CE3-CE2 3.99Å; W588-F604 HydrophobicContact CE3-CE2 3.99Å; W588-F604 AromaticContact CG-CD2 3.93Å; W588-F604 HydrophobicContact CG-CD2 3.93Å; W588-F604 HydrophobicContact CG-CE2 4.32Å; W588-F604 HydrophobicContact CH2-CE2 4.04Å; W588-F604 HydrophobicContact CZ2-CD2 4.06Å; W588-F604 AromaticContact CZ2-CE2 3.8Å; W588-F604 HydrophobicContact CZ2-CE2 3.8Å; W588-F604 HydrophobicContact CZ3-CE2 4.13Å; W588-F604 AromaticContact NE1-CD2 3.56Å; W588-F604 WeakPolarHBondContact O-CD2 3.35Å; W588-S607 PolarHBondContact NE1-OG 2.81Å; W588-L608 HydrophobicContact CH2-CD2 3.7Å; W588-L608 HydrophobicContact CH2-CG 4.41Å; W588-L608 HydrophobicContact CZ2-CD2 3.9Å; W588-L608 HydrophobicContact CZ2-CG 4.18Å; W588-M611 HydrophobicContact CH2-CE 3.85Å; W588-M611 HydrophobicContact CZ2-CE 3.71Å; W588-L664 HydrophobicContact CH2-CD2 3.89Å; W588-L664 HydrophobicContact CZ3-CD2 3.91Å
589	E	89.6	Confident	80	Confident	42 Å²	42	57.7 Å²	57.7	20%	0.196	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140	163.9	-72	179.5	-154.5	0	0	109.5	M531 P532 R533 L534	M531-E589 HydrophobicContact CB-CG 4.18Å; M531-E589 HydrophobicContact CG-CG 4Å; P532-E589 PolarHBondContact O-N 3.34Å; R533-E589 WeakPolarHBondContact CA-O 3.23Å; R533-E589 HydrophobicContact CB-CB 4.13Å; R533-E589 HydrophobicContact CG-CB 4.09Å; R533-E589 IonicContact CZ-OE2 3.91Å; R533-E589 IonicContact NE-OE2 3.3Å; R533-E589 PolarHBondContact NE-OE2 3.13Å; R533-E589 IonicContact NH2-OE1 3.69Å; R533-E589 IonicContact NH2-OE2 2.81Å; R533-E589 PolarHBondContact NH2-OE2 3.35Å; L534-E589 PolarHBondContact N-O 2.95Å
590	C	89.2	Confident	78.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.9	-179.2	-175.8	0	0	0	0	111.1	F592 G603	C590-F592 VanDerWaalsContact SG-CZ 3.56Å; C590-G603 VanDerWaalsContact CB-O 3.31Å; C590-G603 WeakPolarHBondContact CB-O 3.3Å; C590-G603 PolarHBondContact SG-O 3.3Å
591	K	87.8	Confident	77.8	Confident	49 Å²	49	57.9 Å²	57.9	21%	0.213	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	112.8	168.2	-66.4	-65	161.3	-158.2	0	110.1	L534 Y535 I536	L534-K591 PolarHBondContact O-N 3.39Å; Y535-K591 CarbonylContact C-O 3.53Å; Y535-K591 VanDerWaalsContact CA-O 3.29Å; Y535-K591 WeakPolarHBondContact CA-O 3.33Å; Y535-K591 HydrophobicContact CD1-CB 3.96Å; Y535-K591 HydrophobicContact CE1-CB 4.07Å; Y535-K591 HydrophobicContact CE1-CG 4.45Å; I536-K591 PolarHBondContact N-O 2.96Å
592	F	87.6	Confident	77.5	Confident	10 Å²	10	57.6 Å²	57.6	4%	0.044	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.2	174.2	-65	-57.2	0	0	0	109.4	I536 R538 C590 A594 E595 I597 D606	I536-F592 HydrophobicContact CB-CD1 3.76Å; I536-F592 HydrophobicContact CB-CE1 3.94Å; I536-F592 HydrophobicContact CD1-CE1 4.1Å; I536-F592 HydrophobicContact CG2-CD1 3.95Å; I536-F592 HydrophobicContact CG2-CE1 3.91Å; I536-F592 CarbonylContact O-C 3.52Å; I536-F592 VanDerWaalsContact O-CA 3.3Å; I536-F592 WeakPolarHBondContact O-CA 3.3Å; R538-F592 HydrophobicContact CG-CD1 3.76Å; R538-F592 HydrophobicContact CG-CE1 3.98Å; R538-F592 HydrophobicContact CG-CG 4.45Å; R538-F592 VanDerWaalsContact NH1-CD2 3.31Å; R538-F592 VanDerWaalsContact NH1-CE2 3.31Å; C590-F592 VanDerWaalsContact SG-CZ 3.56Å; F592-A594 PolarHBondContact O-N 2.91Å; F592-E595 HydrophobicContact CB-CB 3.72Å; F592-E595 HydrophobicContact CB-CG 4.19Å; F592-E595 PolarHBondContact O-N 3.46Å; F592-I597 HydrophobicContact CB-CD1 4.12Å; F592-I597 HydrophobicContact CD2-CD1 3.41Å; F592-I597 VanDerWaalsContact CD2-CD1 3.41Å; F592-I597 HydrophobicContact CD2-CG1 4.17Å; F592-I597 HydrophobicContact CE2-CD1 4.1Å; F592-I597 HydrophobicContact CG-CD1 4.03Å; F592-D606 HydrophobicContact CE2-CB 4.12Å; F592-D606 HydrophobicContact CZ-CB 4.23Å
593	I	86.6	Confident	77.7	Confident	84 Å²	84	53.3 Å²	53.3	43%	0.431	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	118.2	-171.4	-63.5	177.8	0	0	0	109.6	I536 N537	I536-I593 PolarHBondContact O-N 2.77Å; N537-I593 HydrophobicContact CB-CD1 4.27Å
594	A	80.8	Confident	78.2	Confident	102 Å²	102	45.6 Å²	45.6	84%	0.843	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	27.7	-172.7	0	0	0	0	0	115.1	F592	F592-A594 PolarHBondContact O-N 2.91Å
595	E	77.8	Confident	78.4	Confident	60 Å²	60	44.5 Å²	44.5	28%	0.28	25%	0.251	S	S	.	.	S	Bend	trans	-123.9	136.4	169.7	-74.3	164.8	-120.9	0	0	109.8	R538 F592 I597	R538-E595 WeakPolarHBondContact CB-OE1 3.5Å; R538-E595 WeakPolarHBondContact CD-OE1 3.37Å; R538-E595 WeakPolarHBondContact CD-OE2 3.38Å; R538-E595 IonicContact CZ-OE2 2.96Å; R538-E595 IonicContact NE-OE2 3.62Å; R538-E595 IonicContact NH1-OE2 3.55Å; R538-E595 PolarHBondContact NH1-OE2 3.08Å; F592-E595 HydrophobicContact CB-CB 3.72Å; F592-E595 HydrophobicContact CB-CG 4.19Å; F592-E595 PolarHBondContact O-N 3.46Å; E595-I597 PolarHBondContact O-N 3.47Å
596	G	63.2	Low	78.9	Confident	56 Å²	56	43.1 Å²	43.1	58%	0.577	24%	0.244	S	C	*	.			trans	-77.4	115.2	177.8	0	0	0	0	0	112.1
597	I	63.1	Low	79.1	Confident	38 Å²	38	41.2 Å²	41.2	20%	0.195	24%	0.235	C	C	.	.			trans	-110.8	107.6	176.1	-57.6	-173.4	0	0	0	110.7	F592 E595 D599	F592-I597 HydrophobicContact CB-CD1 4.12Å; F592-I597 HydrophobicContact CD2-CD1 3.41Å; F592-I597 VanDerWaalsContact CD2-CD1 3.41Å; F592-I597 HydrophobicContact CD2-CG1 4.17Å; F592-I597 HydrophobicContact CE2-CD1 4.1Å; F592-I597 HydrophobicContact CG-CD1 4.03Å; E595-I597 PolarHBondContact O-N 3.47Å; I597-D599 WeakPolarHBondContact CG2-O 3.22Å
598	I	56.9	Low	79.1	Confident	182 Å²	182	41.1 Å²	41.1	93%	0.933	24%	0.235	S	C	*	.	S	Bend	trans	-73.7	-41.9	179.8	-52.7	175.1	0	0	0	112
599	D	61.7	Low	78.9	Confident	65 Å²	65	42 Å²	42	35%	0.348	24%	0.243	S	C	.	.			trans	-115.5	136.5	-179.7	170.1	43.1	0	0	0	112.6	I597 G601 G602 R605	I597-D599 WeakPolarHBondContact CG2-O 3.22Å; D599-G601 VanDerWaalsContact C-N 3.32Å; D599-G601 VanDerWaalsContact CG-N 3.29Å; D599-G601 PolarHBondContact O-N 2.71Å; D599-G601 PolarHBondContact OD1-N 3.46Å; D599-G601 VanDerWaalsContact OD1-N 3.12Å; D599-G601 WeakPolarHBondContact OD2-CA 3.38Å; D599-G601 PolarHBondContact OD2-N 2.86Å; D599-G601 VanDerWaalsContact OD2-N 3.13Å; D599-G602 PolarHBondContact OD2-N 3.33Å; D599-R605 IonicContact OD2-NH2 3.27Å
600	Q	64.1	Low	79	Confident	75 Å²	75	41.7 Å²	41.7	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-67.5	-30.2	177.9	-53.9	-69.4	17.9	0	0	112.7	Q586	Q586-Q600 PolarHBondContact NE2-O 2.64Å
601	G	69	Low	79.2	Confident	9 Å²	9	41.7 Å²	41.7	9%	0.093	24%	0.242	C	C	.	.	H	α-helix	trans	-74.5	-35.5	179	0	0	0	0	0	113.3	D599 F604 R605	D599-G601 VanDerWaalsContact C-N 3.32Å; D599-G601 VanDerWaalsContact CG-N 3.29Å; D599-G601 PolarHBondContact O-N 2.71Å; D599-G601 PolarHBondContact OD1-N 3.46Å; D599-G601 VanDerWaalsContact OD1-N 3.12Å; D599-G601 WeakPolarHBondContact OD2-CA 3.38Å; D599-G601 PolarHBondContact OD2-N 2.86Å; D599-G601 VanDerWaalsContact OD2-N 3.13Å; G601-F604 PolarHBondContact O-N 2.83Å; G601-R605 PolarHBondContact O-N 3.15Å
602	G	74.1	Confident	79.5	Confident	4 Å²	4	39.7 Å²	39.7	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-61.5	176.6	0	0	0	0	0	112.7	D599 F604 R605 D606	D599-G602 PolarHBondContact OD2-N 3.33Å; G602-F604 PolarHBondContact O-N 3.01Å; G602-F604 VanDerWaalsContact O-N 3.07Å; G602-R605 WeakPolarHBondContact O-CB 3.29Å; G602-R605 PolarHBondContact O-N 3.14Å; G602-D606 VanDerWaalsContact O-CG 3.24Å; G602-D606 PolarHBondContact O-N 3.43Å
603	G	82.1	Confident	79.6	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-25.3	-176.8	0	0	0	0	0	114.6	C590 S607	C590-G603 VanDerWaalsContact CB-O 3.31Å; C590-G603 WeakPolarHBondContact CB-O 3.3Å; C590-G603 PolarHBondContact SG-O 3.3Å; G603-S607 WeakPolarHBondContact O-CB 3.45Å; G603-S607 PolarHBondContact O-N 2.72Å; G603-S607 VanDerWaalsContact O-N 3.1Å; G603-S607 PolarHBondContact O-OG 3.18Å
604	F	87.1	Confident	79.9	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-52.6	171.2	164.9	-97.5	0	0	0	111.5	D585 Q586 W587 W588 G601 G602 D606 S607 L608 E673	D585-F604 WeakPolarHBondContact O-CE1 3.33Å; Q586-F604 HydrophobicContact CB-CD1 4.2Å; Q586-F604 HydrophobicContact CB-CE1 4.44Å; Q586-F604 HydrophobicContact CB-CG 4.35Å; Q586-F604 HydrophobicContact CG-CB 4.06Å; Q586-F604 HydrophobicContact CG-CD1 4.15Å; Q586-F604 HydrophobicContact CG-CD2 4.04Å; Q586-F604 HydrophobicContact CG-CG 3.8Å; W587-F604 HydrophobicContact CB-CE2 4.02Å; W587-F604 HydrophobicContact CB-CZ 4.43Å; W587-F604 HydrophobicContact CD2-CE2 4.27Å; W587-F604 AromaticContact CD2-CZ 3.89Å; W587-F604 HydrophobicContact CD2-CZ 3.89Å; W587-F604 AromaticContact CE3-CE2 3.84Å; W587-F604 HydrophobicContact CE3-CE2 3.84Å; W587-F604 AromaticContact CE3-CZ 3.47Å; W587-F604 HydrophobicContact CE3-CZ 3.47Å; W587-F604 VanDerWaalsContact CE3-CZ 3.47Å; W587-F604 HydrophobicContact CG-CE2 4.42Å; W587-F604 HydrophobicContact CG-CZ 4.36Å; W587-F604 AromaticContact CZ3-CZ 3.86Å; W587-F604 HydrophobicContact CZ3-CZ 3.86Å; W587-F604 VanDerWaalsContact N-CE2 3.27Å; W588-F604 AromaticContact CD1-CD2 3.78Å; W588-F604 AromaticContact CD2-CD2 3.79Å; W588-F604 HydrophobicContact CD2-CD2 3.79Å; W588-F604 AromaticContact CD2-CE2 3.76Å; W588-F604 HydrophobicContact CD2-CE2 3.76Å; W588-F604 AromaticContact CE2-CD2 3.56Å; W588-F604 AromaticContact CE2-CE2 3.66Å; W588-F604 HydrophobicContact CE3-CD2 4.47Å; W588-F604 AromaticContact CE3-CE2 3.99Å; W588-F604 HydrophobicContact CE3-CE2 3.99Å; W588-F604 AromaticContact CG-CD2 3.93Å; W588-F604 HydrophobicContact CG-CD2 3.93Å; W588-F604 HydrophobicContact CG-CE2 4.32Å; W588-F604 HydrophobicContact CH2-CE2 4.04Å; W588-F604 HydrophobicContact CZ2-CD2 4.06Å; W588-F604 AromaticContact CZ2-CE2 3.8Å; W588-F604 HydrophobicContact CZ2-CE2 3.8Å; W588-F604 HydrophobicContact CZ3-CE2 4.13Å; W588-F604 AromaticContact NE1-CD2 3.56Å; W588-F604 WeakPolarHBondContact O-CD2 3.35Å; G601-F604 PolarHBondContact O-N 2.83Å; G602-F604 PolarHBondContact O-N 3.01Å; G602-F604 VanDerWaalsContact O-N 3.07Å; F604-D606 VanDerWaalsContact C-N 3.29Å; F604-D606 PolarHBondContact O-N 2.88Å; F604-S607 PolarHBondContact O-N 3.42Å; F604-S607 VanDerWaalsContact O-N 3.17Å; F604-S607 PolarHBondContact O-OG 3.01Å; F604-L608 HydrophobicContact CE1-CD1 3.76Å; F604-L608 HydrophobicContact CE2-CD1 4.3Å; F604-L608 HydrophobicContact CZ-CD1 3.63Å; F604-L608 HydrophobicContact CZ-CG 4.35Å; F604-L608 PolarHBondContact O-N 3.25Å; F604-L608 VanDerWaalsContact O-N 3.15Å; F604-E673 HydrophobicContact CE1-CB 4.46Å; F604-E673 HydrophobicContact CE1-CG 4.18Å
605	R	84.8	Confident	80.6	Confident	55 Å²	55	31.9 Å²	31.9	21%	0.208	18%	0.179	C	C	.	.	H	α-helix	trans	-56.8	-44.3	175.6	-73.5	-175.7	-71.4	-85.2	-1.6	111.7	D599 G601 G602 S607 L608 A609 E673	D599-R605 IonicContact OD2-NH2 3.27Å; G601-R605 PolarHBondContact O-N 3.15Å; G602-R605 WeakPolarHBondContact O-CB 3.29Å; G602-R605 PolarHBondContact O-N 3.14Å; R605-S607 VanDerWaalsContact C-N 3.31Å; R605-S607 PolarHBondContact O-N 3.43Å; R605-L608 WeakPolarHBondContact O-CB 3.45Å; R605-L608 PolarHBondContact O-N 3.48Å; R605-L608 VanDerWaalsContact O-N 3.16Å; R605-A609 PolarHBondContact O-N 2.96Å; R605-E673 VanDerWaalsContact CD-OE1 3.3Å; R605-E673 WeakPolarHBondContact CD-OE1 3.43Å; R605-E673 WeakPolarHBondContact CG-OE1 3.48Å; R605-E673 IonicContact NH1-OE1 3.39Å
606	D	83.6	Confident	81.3	Confident	25 Å²	25	29.3 Å²	29.3	13%	0.134	17%	0.167	C	C	.	.	H	α-helix	trans	-66	-36	-179.1	-53.3	-28.3	0	0	0	111.3	R538 F592 G602 F604 L608 A609 D610	R538-D606 VanDerWaalsContact NH2-CB 3.32Å; F592-D606 HydrophobicContact CE2-CB 4.12Å; F592-D606 HydrophobicContact CZ-CB 4.23Å; G602-D606 VanDerWaalsContact O-CG 3.24Å; G602-D606 PolarHBondContact O-N 3.43Å; F604-D606 VanDerWaalsContact C-N 3.29Å; F604-D606 PolarHBondContact O-N 2.88Å; D606-L608 VanDerWaalsContact C-N 3.34Å; D606-L608 PolarHBondContact O-N 3.44Å; D606-A609 PolarHBondContact O-N 3.25Å; D606-A609 VanDerWaalsContact O-N 3.16Å; D606-D610 WeakPolarHBondContact O-CB 3.36Å; D606-D610 VanDerWaalsContact O-CG 3.25Å; D606-D610 PolarHBondContact O-N 3.11Å
607	S	90.4	Very high	82.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-33	174.2	71.9	0	0	0	0	113.2	W588 G603 F604 R605 M611	W588-S607 PolarHBondContact NE1-OG 2.81Å; G603-S607 WeakPolarHBondContact O-CB 3.45Å; G603-S607 PolarHBondContact O-N 2.72Å; G603-S607 VanDerWaalsContact O-N 3.1Å; G603-S607 PolarHBondContact O-OG 3.18Å; F604-S607 PolarHBondContact O-N 3.42Å; F604-S607 VanDerWaalsContact O-N 3.17Å; F604-S607 PolarHBondContact O-OG 3.01Å; R605-S607 VanDerWaalsContact C-N 3.31Å; R605-S607 PolarHBondContact O-N 3.43Å; S607-M611 WeakPolarHBondContact O-CB 3.44Å; S607-M611 VanDerWaalsContact O-CG 3.27Å; S607-M611 WeakPolarHBondContact O-CG 3.19Å; S607-M611 PolarHBondContact O-N 2.85Å; S607-M611 VanDerWaalsContact O-N 3.07Å
608	L	91.1	Very high	83.3	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-39.7	169.9	-72.1	172.3	0	0	0	111.7	W587 W588 F604 R605 D606 M611 S612 E673	W587-L608 HydrophobicContact CZ3-CD1 4.03Å; W587-L608 HydrophobicContact CZ3-CD2 4.24Å; W588-L608 HydrophobicContact CH2-CD2 3.7Å; W588-L608 HydrophobicContact CH2-CG 4.41Å; W588-L608 HydrophobicContact CZ2-CD2 3.9Å; W588-L608 HydrophobicContact CZ2-CG 4.18Å; F604-L608 HydrophobicContact CE1-CD1 3.76Å; F604-L608 HydrophobicContact CE2-CD1 4.3Å; F604-L608 HydrophobicContact CZ-CD1 3.63Å; F604-L608 HydrophobicContact CZ-CG 4.35Å; F604-L608 PolarHBondContact O-N 3.25Å; F604-L608 VanDerWaalsContact O-N 3.15Å; R605-L608 WeakPolarHBondContact O-CB 3.45Å; R605-L608 PolarHBondContact O-N 3.48Å; R605-L608 VanDerWaalsContact O-N 3.16Å; D606-L608 VanDerWaalsContact C-N 3.34Å; D606-L608 PolarHBondContact O-N 3.44Å; L608-M611 HydrophobicContact CD2-CE 3.9Å; L608-S612 WeakPolarHBondContact O-CB 3.36Å; L608-S612 PolarHBondContact O-N 3.42Å; L608-S612 PolarHBondContact O-OG 2.92Å; L608-E673 HydrophobicContact CD1-CB 4.14Å
609	A	86.9	Confident	84.3	Confident	19 Å²	19	23.4 Å²	23.4	16%	0.157	14%	0.137	C	C	.	.	H	α-helix	trans	-67.8	-40.6	178	0	0	0	0	0	112.3	R605 D606 S612 E613	R605-A609 PolarHBondContact O-N 2.96Å; D606-A609 PolarHBondContact O-N 3.25Å; D606-A609 VanDerWaalsContact O-N 3.16Å; A609-S612 PolarHBondContact O-N 2.83Å; A609-E613 WeakPolarHBondContact O-CB 3.44Å; A609-E613 PolarHBondContact O-N 3.22Å
610	D	90.6	Very high	84.9	Confident	35 Å²	35	22.8 Å²	22.8	19%	0.187	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-47.8	174.7	-70.5	-21.5	0	0	0	110.7	R538 V558 D606 S612 E613 E614	R538-D610 IonicContact CZ-OD2 3.65Å; R538-D610 VanDerWaalsContact CZ-OD2 3.28Å; R538-D610 IonicContact NE-OD2 3.82Å; R538-D610 PolarHBondContact NE-OD2 2.9Å; R538-D610 IonicContact NH2-OD1 2.79Å; R538-D610 IonicContact NH2-OD2 2.86Å; R538-D610 PolarHBondContact NH2-OD2 2.91Å; V558-D610 HydrophobicContact CB-CB 4.2Å; V558-D610 HydrophobicContact CG1-CB 3.99Å; V558-D610 HydrophobicContact CG2-CB 4.1Å; D606-D610 WeakPolarHBondContact O-CB 3.36Å; D606-D610 VanDerWaalsContact O-CG 3.25Å; D606-D610 PolarHBondContact O-N 3.11Å; D610-S612 PolarHBondContact O-N 3.21Å; D610-E613 PolarHBondContact O-N 3.17Å; D610-E614 WeakPolarHBondContact O-CG 3.3Å; D610-E614 PolarHBondContact O-N 3.19Å
611	M	94.6	Very high	85.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.1	-72.7	-166.9	-64.1	0	0	112.8	V558 F559 V562 W588 S607 L608 E613 E614 L615 W660 L664	V558-M611 HydrophobicContact CG1-CG 4.06Å; F559-M611 HydrophobicContact CB-CG 4.02Å; F559-M611 HydrophobicContact CB-SD 4.39Å; F559-M611 HydrophobicContact CD2-CB 4.36Å; F559-M611 HydrophobicContact CD2-CG 4.25Å; F559-M611 HydrophobicContact CD2-SD 3.92Å; V562-M611 HydrophobicContact CB-SD 3.84Å; V562-M611 HydrophobicContact CG1-CE 4.18Å; V562-M611 HydrophobicContact CG1-SD 3.99Å; V562-M611 HydrophobicContact CG2-SD 4.03Å; W588-M611 HydrophobicContact CH2-CE 3.85Å; W588-M611 HydrophobicContact CZ2-CE 3.71Å; S607-M611 WeakPolarHBondContact O-CB 3.44Å; S607-M611 VanDerWaalsContact O-CG 3.27Å; S607-M611 WeakPolarHBondContact O-CG 3.19Å; S607-M611 PolarHBondContact O-N 2.85Å; S607-M611 VanDerWaalsContact O-N 3.07Å; L608-M611 HydrophobicContact CD2-CE 3.9Å; M611-E613 VanDerWaalsContact C-N 3.31Å; M611-E613 PolarHBondContact O-N 2.9Å; M611-E614 PolarHBondContact O-N 3.1Å; M611-L615 WeakPolarHBondContact O-CB 3.34Å; M611-L615 WeakPolarHBondContact O-CG 3.38Å; M611-L615 PolarHBondContact O-N 3.16Å; M611-W660 HydrophobicContact CE-CH2 4.37Å; M611-W660 HydrophobicContact SD-CH2 3.65Å; M611-W660 HydrophobicContact SD-CZ3 4.17Å; M611-L664 HydrophobicContact CE-CD1 4.21Å
612	S	92.9	Very high	86.2	Confident	7 Å²	7	27 Å²	27	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-44.6	177.5	-60.3	0	0	0	0	111.1	L608 A609 D610 L615 C616 V676	L608-S612 WeakPolarHBondContact O-CB 3.36Å; L608-S612 PolarHBondContact O-N 3.42Å; L608-S612 PolarHBondContact O-OG 2.92Å; A609-S612 PolarHBondContact O-N 2.83Å; D610-S612 PolarHBondContact O-N 3.21Å; S612-L615 PolarHBondContact O-N 3.08Å; S612-C616 PolarHBondContact O-N 3.14Å; S612-V676 PolarHBondContact OG-N 3.4Å
613	E	89.4	Confident	86.5	Confident	24 Å²	24	30.5 Å²	30.5	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-76.1	-23.7	-179.8	177.5	64.7	-154.6	0	0	113.3	R545 A609 D610 M611 P617 S618	R545-E613 IonicContact CZ-OE1 3.45Å; R545-E613 VanDerWaalsContact NH1-CG 3.29Å; R545-E613 IonicContact NH1-OE1 2.69Å; R545-E613 IonicContact NH2-OE1 3.42Å; R545-E613 PolarHBondContact NH2-OE1 3.32Å; A609-E613 WeakPolarHBondContact O-CB 3.44Å; A609-E613 PolarHBondContact O-N 3.22Å; D610-E613 PolarHBondContact O-N 3.17Å; M611-E613 VanDerWaalsContact C-N 3.31Å; M611-E613 PolarHBondContact O-N 2.9Å; E613-P617 VanDerWaalsContact O-CA 3.27Å; E613-P617 WeakPolarHBondContact O-CA 3.25Å; E613-P617 WeakPolarHBondContact O-CG 3.38Å; E613-S618 PolarHBondContact OE1-N 3.49Å; E613-S618 VanDerWaalsContact OE2-CB 3.23Å; E613-S618 WeakPolarHBondContact OE2-CB 3Å; E613-S618 PolarHBondContact OE2-N 2.9Å; E613-S618 PolarHBondContact OE2-OG 3.34Å
614	E	93.5	Very high	86.8	Confident	7 Å²	7	32.6 Å²	32.6	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-75.9	-33.9	168.1	-74.1	-173.9	149.8	0	0	112.8	A557 V558 F559 D610 M611 P625 L626	A557-E614 VanDerWaalsContact CA-OE1 3.26Å; A557-E614 WeakPolarHBondContact CA-OE1 3.23Å; A557-E614 WeakPolarHBondContact CB-OE1 3.38Å; V558-E614 VanDerWaalsContact N-CD 3.27Å; V558-E614 PolarHBondContact N-OE1 2.66Å; V558-E614 PolarHBondContact N-OE2 2.91Å; F559-E614 WeakPolarHBondContact CB-OE2 3.44Å; F559-E614 PolarHBondContact N-OE2 3.36Å; D610-E614 WeakPolarHBondContact O-CG 3.3Å; D610-E614 PolarHBondContact O-N 3.19Å; M611-E614 PolarHBondContact O-N 3.1Å; E614-P625 HydrophobicContact CB-CG 4.37Å; E614-P625 WeakPolarHBondContact O-CD 3.34Å; E614-P625 WeakPolarHBondContact O-CG 3.37Å; E614-L626 HydrophobicContact CB-CD1 3.67Å; E614-L626 HydrophobicContact CB-CG 4.23Å
615	L	94.9	Very high	86.5	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-79.5	-39.6	179.4	-70.5	171.6	0	0	0	112.7	F559 M611 S612 L626 F628 F629 I661 L677	F559-L615 HydrophobicContact CD1-CD2 4.48Å; F559-L615 HydrophobicContact CD2-CD1 3.86Å; F559-L615 HydrophobicContact CD2-CD2 4Å; F559-L615 HydrophobicContact CD2-CG 4.07Å; F559-L615 HydrophobicContact CE1-CD2 4.44Å; F559-L615 HydrophobicContact CE2-CD1 3.84Å; F559-L615 HydrophobicContact CE2-CD2 3.98Å; F559-L615 HydrophobicContact CE2-CG 4.31Å; F559-L615 HydrophobicContact CG-CD2 4.26Å; F559-L615 HydrophobicContact CZ-CD2 4.21Å; M611-L615 WeakPolarHBondContact O-CB 3.34Å; M611-L615 WeakPolarHBondContact O-CG 3.38Å; M611-L615 PolarHBondContact O-N 3.16Å; S612-L615 PolarHBondContact O-N 3.08Å; L615-L626 HydrophobicContact CD2-CD1 3.69Å; L615-L626 HydrophobicContact CG-CD1 4.15Å; L615-F628 HydrophobicContact CD2-CD2 3.7Å; L615-F628 HydrophobicContact CD2-CE2 4.48Å; L615-F629 HydrophobicContact CB-CD2 4.08Å; L615-F629 HydrophobicContact CB-CE2 4.14Å; L615-F629 HydrophobicContact CD2-CD2 4.15Å; L615-F629 HydrophobicContact CD2-CE2 4.04Å; L615-F629 WeakPolarHBondContact O-CD2 3.43Å; L615-I661 HydrophobicContact CD1-CD1 4.39Å; L615-I661 HydrophobicContact CD1-CG1 4.27Å; L615-I661 HydrophobicContact CD2-CD1 3.92Å; L615-L677 HydrophobicContact CB-CD2 4.17Å; L615-L677 HydrophobicContact CD1-CD2 4Å
616	C	92.8	Very high	87	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.034	19%	0.191	C	C	.	.	S	Bend	trans	-139.1	77	-178.3	-70.9	0	0	0	0	109.9	S612 S618 Y646 A678	S612-C616 PolarHBondContact O-N 3.14Å; C616-S618 PolarHBondContact O-N 2.71Å; C616-Y646 HydrophobicContact CB-CD2 3.75Å; C616-Y646 HydrophobicContact CB-CE2 4Å; C616-Y646 HydrophobicContact CB-CG 4.42Å; C616-A678 HydrophobicContact CB-CB 4.22Å
617	P	88.3	Confident	87.5	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.013	20%	0.202	C	C	.	.			trans	-55.3	130.2	-177.4	-25.3	31.2	0	0	0	113.6	E613 S619 T622 Y646	E613-P617 VanDerWaalsContact O-CA 3.27Å; E613-P617 WeakPolarHBondContact O-CA 3.25Å; E613-P617 WeakPolarHBondContact O-CG 3.38Å; P617-S619 PolarHBondContact O-N 3.04Å; P617-T622 HydrophobicContact CB-CG2 3.9Å; P617-T622 HydrophobicContact CG-CG2 4.31Å; P617-Y646 WeakPolarHBondContact CD-OH 3.25Å; P617-Y646 PolarHBondContact O-OH 2.96Å
618	S	80.4	Confident	87.9	Confident	105 Å²	105	32 Å²	32	73%	0.734	20%	0.202	S	C	*	.	S	Bend	trans	-69.4	-16.6	-175.6	-55.7	0	0	0	0	113.9	E613 C616	E613-S618 PolarHBondContact OE1-N 3.49Å; E613-S618 VanDerWaalsContact OE2-CB 3.23Å; E613-S618 WeakPolarHBondContact OE2-CB 3Å; E613-S618 PolarHBondContact OE2-N 2.9Å; E613-S618 PolarHBondContact OE2-OG 3.34Å; C616-S618 PolarHBondContact O-N 2.71Å
619	S	79.2	Confident	88.1	Confident	46 Å²	46	31.9 Å²	31.9	32%	0.322	20%	0.202	S	C	.	.			trans	-109.5	128.3	-179.7	162.2	0	0	0	0	112	P617 D621 T622	P617-S619 PolarHBondContact O-N 3.04Å; S619-D621 PolarHBondContact O-N 2.82Å; S619-D621 VanDerWaalsContact O-N 3.14Å; S619-D621 PolarHBondContact OG-N 2.86Å; S619-T622 WeakPolarHBondContact O-CB 3.32Å; S619-T622 PolarHBondContact O-N 2.96Å
620	A	73.4	Confident	88.5	Confident	52 Å²	52	32.2 Å²	32.2	43%	0.43	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.2	174.9	0	0	0	0	0	114.1	R631	A620-R631 PolarHBondContact O-NH1 3.26Å; A620-R631 PolarHBondContact O-NH2 3.06Å
621	D	78.3	Confident	88.6	Confident	152 Å²	152	34 Å²	34	81%	0.813	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-13.1	175.8	-57.6	-56.5	0	0	0	112.6	S619	S619-D621 PolarHBondContact O-N 2.82Å; S619-D621 VanDerWaalsContact O-N 3.14Å; S619-D621 PolarHBondContact OG-N 2.86Å
622	T	81.3	Confident	88.4	Confident	21 Å²	21	34.1 Å²	34.1	13%	0.129	21%	0.207	C	C	.	.	S	Bend	trans	-75	125.6	177.5	-61.7	0	0	0	0	110.8	R545 P617 S619 V624 R631	R545-T622 VanDerWaalsContact NH2-CG2 3.29Å; P617-T622 HydrophobicContact CB-CG2 3.9Å; P617-T622 HydrophobicContact CG-CG2 4.31Å; S619-T622 WeakPolarHBondContact O-CB 3.32Å; S619-T622 PolarHBondContact O-N 2.96Å; T622-V624 PolarHBondContact O-N 2.57Å; T622-R631 PolarHBondContact O-NH2 3.13Å
623	P	80.8	Confident	88.3	Confident	77 Å²	77	34.6 Å²	34.6	50%	0.5	21%	0.211	S	C	.	.			trans	-56.7	132.7	170.1	-22.3	33.2	0	0	0	111.1	P625	P623-P625 WeakPolarHBondContact O-CD 3.22Å
624	V	88.6	Confident	88	Confident	45 Å²	45	33.4 Å²	33.4	27%	0.273	21%	0.205	S	C	.	.			trans	-68.6	112.9	175.8	-172.3	0	0	0	0	108.1	T622 R631 Y646	T622-V624 PolarHBondContact O-N 2.57Å; V624-R631 HydrophobicContact CG2-CG 4.1Å; V624-Y646 HydrophobicContact CG2-CE1 3.86Å
625	P	81.9	Confident	87.4	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.032	21%	0.209	C	C	.	.			trans	-89.8	-16.7	-167.1	35.4	-33.7	0	0	0	112.7	H544 P548 E614 P623	H544-P625 PolarHBondContact CE1-O 2.73Å; H544-P625 PolarHBondContact NE2-O 2.7Å; P548-P625 HydrophobicContact CG-CB 4.48Å; E614-P625 HydrophobicContact CB-CG 4.37Å; E614-P625 WeakPolarHBondContact O-CD 3.34Å; E614-P625 WeakPolarHBondContact O-CG 3.37Å; P623-P625 WeakPolarHBondContact O-CD 3.22Å
626	L	94.6	Very high	86.3	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	24%	0.244	C	C	.	.	S	Bend	trans	-115.1	141.4	-177	-67.8	-178.1	0	0	0	111.8	C554 A557 F559 E614 L615 F628	C554-L626 HydrophobicContact CB-CD2 3.7Å; A557-L626 HydrophobicContact CB-CD2 3.67Å; F559-L626 HydrophobicContact CB-CD1 3.71Å; F559-L626 HydrophobicContact CD1-CD1 4Å; F559-L626 HydrophobicContact CG-CD1 3.94Å; E614-L626 HydrophobicContact CB-CD1 3.67Å; E614-L626 HydrophobicContact CB-CG 4.23Å; L615-L626 HydrophobicContact CD2-CD1 3.69Å; L615-L626 HydrophobicContact CG-CD1 4.15Å; L626-F628 VanDerWaalsContact C-N 3.27Å; L626-F628 HydrophobicContact CB-CD2 3.76Å; L626-F628 HydrophobicContact CB-CE2 3.92Å; L626-F628 HydrophobicContact CD1-CD2 4.19Å; L626-F628 HydrophobicContact CD1-CE2 4.07Å; L626-F628 HydrophobicContact CD2-CE2 4.09Å; L626-F628 HydrophobicContact CG-CD2 4.46Å; L626-F628 HydrophobicContact CG-CE2 4.26Å; L626-F628 PolarHBondContact O-N 3.27Å
627	P	94.6	Very high	85.3	Confident	56 Å²	56	41.4 Å²	41.4	36%	0.364	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	1.5	-173	33.2	-37.8	0	0	0	114.6	N649 C652	P627-N649 WeakPolarHBondContact O-CB 3.48Å; P627-N649 PolarHBondContact O-ND2 3.26Å; P627-C652 VanDerWaalsContact O-CB 3.29Å; P627-C652 WeakPolarHBondContact O-CB 3.49Å
628	F	96.9	Very high	84.4	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.009	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.9	-172.5	-44	-64.9	0	0	0	113.7	F559 L615 L626 P648 N649 D654 K657 Y658 I661	F559-F628 HydrophobicContact CD1-CD2 4.37Å; F559-F628 AromaticContact CD1-CE2 3.63Å; F559-F628 HydrophobicContact CD1-CE2 3.63Å; F559-F628 HydrophobicContact CD1-CZ 4.31Å; F559-F628 AromaticContact CE1-CD2 3.97Å; F559-F628 HydrophobicContact CE1-CD2 3.97Å; F559-F628 AromaticContact CE1-CE2 3.37Å; F559-F628 HydrophobicContact CE1-CE2 3.37Å; F559-F628 AromaticContact CE1-CZ 3.83Å; F559-F628 HydrophobicContact CE1-CZ 3.83Å; F559-F628 HydrophobicContact CZ-CE2 4.34Å; L615-F628 HydrophobicContact CD2-CD2 3.7Å; L615-F628 HydrophobicContact CD2-CE2 4.48Å; L626-F628 VanDerWaalsContact C-N 3.27Å; L626-F628 HydrophobicContact CB-CD2 3.76Å; L626-F628 HydrophobicContact CB-CE2 3.92Å; L626-F628 HydrophobicContact CD1-CD2 4.19Å; L626-F628 HydrophobicContact CD1-CE2 4.07Å; L626-F628 HydrophobicContact CD2-CE2 4.09Å; L626-F628 HydrophobicContact CG-CD2 4.46Å; L626-F628 HydrophobicContact CG-CE2 4.26Å; L626-F628 PolarHBondContact O-N 3.27Å; F628-P648 WeakPolarHBondContact O-CA 3.41Å; F628-N649 PolarHBondContact O-N 3.02Å; F628-D654 HydrophobicContact CE1-CB 4.06Å; F628-K657 HydrophobicContact CD1-CB 4.43Å; F628-K657 HydrophobicContact CE1-CB 3.84Å; F628-K657 HydrophobicContact CE1-CD 3.83Å; F628-K657 HydrophobicContact CE1-CG 4.48Å; F628-K657 HydrophobicContact CE2-CD 4.47Å; F628-K657 HydrophobicContact CZ-CB 4.13Å; F628-K657 HydrophobicContact CZ-CD 3.49Å; F628-K657 VanDerWaalsContact CZ-CD 3.49Å; F628-K657 HydrophobicContact CZ-CG 4.45Å; F628-Y658 HydrophobicContact CB-CE1 3.91Å; F628-Y658 VanDerWaalsContact O-CE1 3.27Å; F628-Y658 WeakPolarHBondContact O-CE1 3.42Å; F628-Y658 PolarHBondContact O-OH 3.11Å; F628-I661 HydrophobicContact CB-CD1 4.37Å; F628-I661 HydrophobicContact CG-CD1 4.46Å
629	F	96.6	Very high	83.6	Confident	3 Å²	3	41 Å²	41	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.1	-177.2	-68.8	-71.8	0	0	0	110.6	L615 Y646 V647 P648 I661 L679 M778	L615-F629 HydrophobicContact CB-CD2 4.08Å; L615-F629 HydrophobicContact CB-CE2 4.14Å; L615-F629 HydrophobicContact CD2-CD2 4.15Å; L615-F629 HydrophobicContact CD2-CE2 4.04Å; L615-F629 WeakPolarHBondContact O-CD2 3.43Å; F629-Y646 HydrophobicContact CB-CD1 4.43Å; F629-V647 WeakPolarHBondContact CA-O 3.36Å; F629-P648 HydrophobicContact CD1-CB 4.43Å; F629-P648 HydrophobicContact CD1-CG 4.48Å; F629-P648 HydrophobicContact CE1-CB 4.3Å; F629-P648 HydrophobicContact CE1-CG 4.1Å; F629-I661 HydrophobicContact CE2-CD1 4.08Å; F629-L679 HydrophobicContact CD1-CD2 3.88Å; F629-L679 HydrophobicContact CE1-CD1 4.46Å; F629-L679 HydrophobicContact CE1-CD2 3.61Å; F629-L679 HydrophobicContact CZ-CD2 4.32Å; F629-M778 HydrophobicContact CE1-SD 4.44Å; F629-M778 HydrophobicContact CZ-SD 4.16Å
630	V	95.2	Very high	82.6	Confident	25 Å²	25	40.7 Å²	40.7	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.3	172.1	-65.8	0	0	0	0	109.3	Y646 V647 N649 D736	V630-Y646 CarbonylContact O-C 3.48Å; V630-Y646 VanDerWaalsContact O-CA 3.24Å; V630-Y646 WeakPolarHBondContact O-CA 3.48Å; V630-V647 HydrophobicContact CG2-CG2 3.76Å; V630-V647 PolarHBondContact N-O 3.03Å; V630-V647 PolarHBondContact O-N 3.02Å; V630-N649 HydrophobicContact CG1-CB 3.96Å; V630-D736 HydrophobicContact CG1-CB 4.25Å
631	R	92	Very high	82.1	Confident	74 Å²	74	45.5 Å²	45.5	28%	0.279	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	150.7	-178.9	-65.6	180	171.7	-163	-2.5	111.2	A620 T622 V624 Q635 Y646	A620-R631 PolarHBondContact O-NH1 3.26Å; A620-R631 PolarHBondContact O-NH2 3.06Å; T622-R631 PolarHBondContact O-NH2 3.13Å; V624-R631 HydrophobicContact CG2-CG 4.1Å; R631-Q635 HydrophobicContact CB-CB 4.44Å; R631-Y646 HydrophobicContact CG-CD1 4.1Å; R631-Y646 HydrophobicContact CG-CE1 3.65Å
632	T	91.3	Very high	81.4	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	25%	0.249	C	C	.	.			trans	-61.2	149.9	169.3	56.2	0	0	0	0	111.1	N634 Q635 G636 A642 M645 V647 P680	T632-N634 PolarHBondContact O-N 3.36Å; T632-Q635 WeakPolarHBondContact O-CB 3.42Å; T632-Q635 PolarHBondContact O-N 3.5Å; T632-Q635 VanDerWaalsContact O-N 3.07Å; T632-Q635 PolarHBondContact OG1-N 3.01Å; T632-G636 PolarHBondContact O-N 3.01Å; T632-A642 PolarHBondContact OG1-O 3.48Å; T632-M645 HydrophobicContact CG2-CB 4.3Å; T632-M645 WeakPolarHBondContact CG2-O 3.43Å; T632-M645 PolarHBondContact N-O 2.66Å; T632-M645 VanDerWaalsContact N-O 3.09Å; T632-V647 HydrophobicContact CG2-CG1 4.34Å; T632-P680 HydrophobicContact CG2-CG 4.48Å
633	A	89.5	Confident	81	Confident	16 Å²	16	44.2 Å²	44.2	13%	0.132	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-32	173.2	0	0	0	0	0	111	Q635 G636 N637 V701 D702	A633-Q635 VanDerWaalsContact C-N 3.3Å; A633-Q635 PolarHBondContact O-N 2.68Å; A633-G636 PolarHBondContact O-N 3.41Å; A633-N637 VanDerWaalsContact O-CB 3.27Å; A633-N637 WeakPolarHBondContact O-CB 3.48Å; A633-N637 VanDerWaalsContact O-CG 3.25Å; A633-N637 PolarHBondContact O-N 2.72Å; A633-N637 PolarHBondContact O-ND2 2.92Å; A633-V701 WeakPolarHBondContact CB-O 3.41Å; A633-V701 PolarHBondContact N-O 3.4Å; A633-D702 HydrophobicContact CB-CB 3.83Å
634	N	84.4	Confident	80.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-53.3	-41.1	169.3	-79.4	-8.4	0	0	0	113.6	T632 G638 T639 E641 R643 P699 A700 V701 S703	T632-N634 PolarHBondContact O-N 3.36Å; N634-G638 PolarHBondContact O-N 2.91Å; N634-T639 CarbonylContact C-O 3.57Å; N634-T639 WeakPolarHBondContact CA-O 3.46Å; N634-T639 WeakPolarHBondContact CB-O 3.39Å; N634-T639 VanDerWaalsContact CG-O 3.25Å; N634-T639 PolarHBondContact O-N 3.45Å; N634-T639 VanDerWaalsContact O-N 3.08Å; N634-T639 VanDerWaalsContact O-O 3.1Å; N634-T639 PolarHBondContact OD1-O 2.9Å; N634-E641 WeakPolarHBondContact CB-O 3.35Å; N634-E641 PolarHBondContact ND2-O 3.34Å; N634-R643 HydrophobicContact CB-CG 4.33Å; N634-P699 PolarHBondContact ND2-O 3.12Å; N634-A700 PolarHBondContact ND2-O 3.33Å; N634-V701 PolarHBondContact N-O 3.08Å; N634-V701 VanDerWaalsContact N-O 3.1Å; N634-S703 WeakPolarHBondContact OD1-CB 3.4Å; N634-S703 PolarHBondContact OD1-N 3.24Å; N634-S703 PolarHBondContact OD1-OG 2.66Å
635	Q	79.9	Confident	80.7	Confident	24 Å²	24	45.4 Å²	45.4	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-49.7	176	-176.8	165.7	40.6	0	0	111.4	R631 T632 A633 N637 G638 R643	R631-Q635 HydrophobicContact CB-CB 4.44Å; T632-Q635 WeakPolarHBondContact O-CB 3.42Å; T632-Q635 PolarHBondContact O-N 3.5Å; T632-Q635 VanDerWaalsContact O-N 3.07Å; T632-Q635 PolarHBondContact OG1-N 3.01Å; A633-Q635 VanDerWaalsContact C-N 3.3Å; A633-Q635 PolarHBondContact O-N 2.68Å; Q635-N637 PolarHBondContact O-N 3.23Å; Q635-G638 PolarHBondContact O-N 3.42Å; Q635-R643 VanDerWaalsContact CB-O 3.25Å; Q635-R643 WeakPolarHBondContact CB-O 3.48Å; Q635-R643 WeakPolarHBondContact CG-O 3.14Å; Q635-R643 PolarHBondContact NE2-O 3Å
636	G	72.4	Confident	81.3	Confident	71 Å²	71	45.2 Å²	45.2	73%	0.732	26%	0.264	S	S	*	.	H	α-helix	trans	-63.8	-38.2	178.6	0	0	0	0	0	113.6	T632 A633 G638	T632-G636 PolarHBondContact O-N 3.01Å; A633-G636 PolarHBondContact O-N 3.41Å; G636-G638 VanDerWaalsContact C-N 3.27Å; G636-G638 PolarHBondContact O-N 3.33Å
637	N	72.9	Confident	81.4	Confident	86 Å²	86	45 Å²	45	46%	0.46	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.6	177.9	-66.5	-27.3	0	0	0	113.5	A633 Q635 T639 V704	A633-N637 VanDerWaalsContact O-CB 3.27Å; A633-N637 WeakPolarHBondContact O-CB 3.48Å; A633-N637 VanDerWaalsContact O-CG 3.25Å; A633-N637 PolarHBondContact O-N 2.72Å; A633-N637 PolarHBondContact O-ND2 2.92Å; Q635-N637 PolarHBondContact O-N 3.23Å; N637-T639 WeakPolarHBondContact CB-OG1 3.26Å; N637-T639 WeakPolarHBondContact O-CG2 3.41Å; N637-T639 PolarHBondContact O-N 3.41Å; N637-T639 VanDerWaalsContact O-N 3.08Å; N637-T639 PolarHBondContact O-OG1 3.19Å; N637-V704 HydrophobicContact CB-CG2 4.22Å
638	G	67.9	Low	81.6	Confident	33 Å²	33	42.4 Å²	42.4	34%	0.34	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	20.9	-179.3	0	0	0	0	0	115.2	N634 Q635 G636 R643	N634-G638 PolarHBondContact O-N 2.91Å; Q635-G638 PolarHBondContact O-N 3.42Å; G636-G638 VanDerWaalsContact C-N 3.27Å; G636-G638 PolarHBondContact O-N 3.33Å; G638-R643 VanDerWaalsContact C-CZ 3.43Å; G638-R643 PolarHBondContact O-NE 3.28Å; G638-R643 PolarHBondContact O-NH1 2.95Å; G638-R643 PolarHBondContact O-NH2 2.88Å
639	T	63.4	Low	81.6	Confident	64 Å²	64	43.3 Å²	43.3	39%	0.393	25%	0.251	S	S	.	.			trans	-142.8	156.6	-166.1	42.8	0	0	0	0	112	N634 N637	N634-T639 CarbonylContact C-O 3.57Å; N634-T639 WeakPolarHBondContact CA-O 3.46Å; N634-T639 WeakPolarHBondContact CB-O 3.39Å; N634-T639 VanDerWaalsContact CG-O 3.25Å; N634-T639 PolarHBondContact O-N 3.45Å; N634-T639 VanDerWaalsContact O-N 3.08Å; N634-T639 VanDerWaalsContact O-O 3.1Å; N634-T639 PolarHBondContact OD1-O 2.9Å; N637-T639 WeakPolarHBondContact CB-OG1 3.26Å; N637-T639 WeakPolarHBondContact O-CG2 3.41Å; N637-T639 PolarHBondContact O-N 3.41Å; N637-T639 VanDerWaalsContact O-N 3.08Å; N637-T639 PolarHBondContact O-OG1 3.19Å
640	G	59.3	Low	81.6	Confident	40 Å²	40	43.5 Å²	43.5	41%	0.412	25%	0.253	S	S	.	.	S	Bend	trans	84	-169.6	-177.1	0	0	0	0	0	114.2	R643 S703	G640-R643 VanDerWaalsContact O-CD 3.23Å; G640-R643 WeakPolarHBondContact O-CD 3.37Å; G640-R643 WeakPolarHBondContact O-CG 3.25Å; G640-S703 WeakPolarHBondContact CA-OG 3.18Å
641	E	61.3	Low	81.6	Confident	154 Å²	154	44.4 Å²	44.4	72%	0.72	26%	0.26	S	S	*	.	S	Bend	trans	-90.3	173.9	174.9	-65.1	173.3	-172.5	0	0	110.5	N634 R643	N634-E641 WeakPolarHBondContact CB-O 3.35Å; N634-E641 PolarHBondContact ND2-O 3.34Å; E641-R643 VanDerWaalsContact C-N 3.26Å; E641-R643 PolarHBondContact O-N 2.88Å
642	A	64.6	Low	81.8	Confident	17 Å²	17	41.5 Å²	41.5	14%	0.14	25%	0.252	C	S	.	.			trans	53.1	40.2	174.5	0	0	0	0	0	114.1	T632 D644 M645 P680 A700	T632-A642 PolarHBondContact OG1-O 3.48Å; A642-D644 PolarHBondContact O-N 2.67Å; A642-M645 HydrophobicContact CB-CB 4.06Å; A642-M645 HydrophobicContact CB-CE 4.26Å; A642-M645 HydrophobicContact CB-CG 3.87Å; A642-M645 HydrophobicContact CB-SD 3.45Å; A642-M645 WeakPolarHBondContact CB-SD 3.33Å; A642-M645 PolarHBondContact O-N 2.98Å; A642-P680 HydrophobicContact CB-CB 4.32Å; A642-A700 HydrophobicContact CB-CB 4.13Å; A642-A700 WeakPolarHBondContact CB-O 3.45Å
643	R	72.3	Confident	82.1	Confident	128 Å²	128	47.2 Å²	47.2	48%	0.483	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.9	-178.2	-68	178.6	56.8	-165.1	-4.5	114.1	N634 Q635 G638 G640 E641	N634-R643 HydrophobicContact CB-CG 4.33Å; Q635-R643 VanDerWaalsContact CB-O 3.25Å; Q635-R643 WeakPolarHBondContact CB-O 3.48Å; Q635-R643 WeakPolarHBondContact CG-O 3.14Å; Q635-R643 PolarHBondContact NE2-O 3Å; G638-R643 VanDerWaalsContact C-CZ 3.43Å; G638-R643 PolarHBondContact O-NE 3.28Å; G638-R643 PolarHBondContact O-NH1 2.95Å; G638-R643 PolarHBondContact O-NH2 2.88Å; G640-R643 VanDerWaalsContact O-CD 3.23Å; G640-R643 WeakPolarHBondContact O-CD 3.37Å; G640-R643 WeakPolarHBondContact O-CG 3.25Å; E641-R643 VanDerWaalsContact C-N 3.26Å; E641-R643 PolarHBondContact O-N 2.88Å
644	D	75.9	Confident	82.4	Confident	98 Å²	98	49 Å²	49	52%	0.524	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	3.9	-179	57.3	-39.8	0	0	0	111.6	A642	A642-D644 PolarHBondContact O-N 2.67Å
645	M	88.1	Confident	83	Confident	49 Å²	49	52.4 Å²	52.4	24%	0.241	30%	0.295	C	S	.	.			trans	-110	165.4	-170.6	-58.3	-171.8	-175.2	0	0	113.7	T632 A642 A678 P680	T632-M645 HydrophobicContact CG2-CB 4.3Å; T632-M645 WeakPolarHBondContact CG2-O 3.43Å; T632-M645 PolarHBondContact N-O 2.66Å; T632-M645 VanDerWaalsContact N-O 3.09Å; A642-M645 HydrophobicContact CB-CB 4.06Å; A642-M645 HydrophobicContact CB-CE 4.26Å; A642-M645 HydrophobicContact CB-CG 3.87Å; A642-M645 HydrophobicContact CB-SD 3.45Å; A642-M645 WeakPolarHBondContact CB-SD 3.33Å; A642-M645 PolarHBondContact O-N 2.98Å; M645-A678 CarbonylContact C-O 3.55Å; M645-A678 WeakPolarHBondContact CA-O 3.16Å; M645-A678 WeakPolarHBondContact CB-O 3.44Å; M645-P680 HydrophobicContact SD-CB 4.05Å
646	Y	94.4	Very high	83.8	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.8	-171.6	-62.7	-94.1	0	0	0	111.6	C616 P617 V624 F629 V630 R631 A678 L679 P680	C616-Y646 HydrophobicContact CB-CD2 3.75Å; C616-Y646 HydrophobicContact CB-CE2 4Å; C616-Y646 HydrophobicContact CB-CG 4.42Å; P617-Y646 WeakPolarHBondContact CD-OH 3.25Å; P617-Y646 PolarHBondContact O-OH 2.96Å; V624-Y646 HydrophobicContact CG2-CE1 3.86Å; F629-Y646 HydrophobicContact CB-CD1 4.43Å; V630-Y646 CarbonylContact O-C 3.48Å; V630-Y646 VanDerWaalsContact O-CA 3.24Å; V630-Y646 WeakPolarHBondContact O-CA 3.48Å; R631-Y646 HydrophobicContact CG-CD1 4.1Å; R631-Y646 HydrophobicContact CG-CE1 3.65Å; Y646-A678 HydrophobicContact CD2-CB 4.21Å; Y646-A678 PolarHBondContact N-O 2.79Å; Y646-L679 VanDerWaalsContact O-CD2 3.3Å; Y646-L679 WeakPolarHBondContact O-CD2 3.43Å; Y646-P680 WeakPolarHBondContact O-CD 3.42Å
647	V	96.2	Very high	85	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.2	170.7	-63.4	0	0	0	0	109.9	F629 V630 T632 N649 P680 V683 V701	F629-V647 WeakPolarHBondContact CA-O 3.36Å; V630-V647 HydrophobicContact CG2-CG2 3.76Å; V630-V647 PolarHBondContact N-O 3.03Å; V630-V647 PolarHBondContact O-N 3.02Å; T632-V647 HydrophobicContact CG2-CG1 4.34Å; V647-N649 PolarHBondContact O-N 3.29Å; V647-P680 HydrophobicContact CG1-CG 3.99Å; V647-V683 HydrophobicContact CB-CG2 4.48Å; V647-V683 HydrophobicContact CG1-CG2 4.08Å; V647-V701 HydrophobicContact CG1-CG1 4.1Å; V647-V701 HydrophobicContact CG1-CG2 4Å
648	P	98	Very high	86.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.7	-179.4	-17.9	31.3	0	0	0	110.3	F628 F629 P650 Y658 V683 S771 Q774 V775 M778	F628-P648 WeakPolarHBondContact O-CA 3.41Å; F629-P648 HydrophobicContact CD1-CB 4.43Å; F629-P648 HydrophobicContact CD1-CG 4.48Å; F629-P648 HydrophobicContact CE1-CB 4.3Å; F629-P648 HydrophobicContact CE1-CG 4.1Å; P648-P650 VanDerWaalsContact O-CD 3.27Å; P648-P650 WeakPolarHBondContact O-CD 3.49Å; P648-Y658 HydrophobicContact CB-CE1 4.03Å; P648-V683 HydrophobicContact CG-CG1 4.14Å; P648-S771 WeakPolarHBondContact O-CB 3.46Å; P648-S771 PolarHBondContact O-OG 3.08Å; P648-Q774 HydrophobicContact CB-CB 3.89Å; P648-V775 HydrophobicContact CG-CG2 3.92Å; P648-M778 HydrophobicContact CB-CE 4.13Å; P648-M778 HydrophobicContact CG-CE 3.49Å; P648-M778 VanDerWaalsContact CG-CE 3.49Å
649	N	97.4	Very high	87.7	Confident	21 Å²	21	48.2 Å²	48.2	11%	0.112	25%	0.252	C	S	.	.			trans	-70.3	113.4	-173.9	-179.2	-11.3	0	0	0	111.7	P627 F628 V630 V647 S651 C652 Y658	P627-N649 WeakPolarHBondContact O-CB 3.48Å; P627-N649 PolarHBondContact O-ND2 3.26Å; F628-N649 PolarHBondContact O-N 3.02Å; V630-N649 HydrophobicContact CG1-CB 3.96Å; V647-N649 PolarHBondContact O-N 3.29Å; N649-S651 PolarHBondContact O-N 2.91Å; N649-S651 PolarHBondContact OD1-N 2.69Å; N649-C652 HydrophobicContact CB-CB 3.83Å; N649-C652 PolarHBondContact O-N 2.84Å; N649-C652 PolarHBondContact OD1-N 2.93Å; N649-Y658 PolarHBondContact N-OH 3.32Å; N649-Y658 VanDerWaalsContact N-OH 3.08Å; N649-Y658 PolarHBondContact O-OH 3.46Å; N649-Y658 VanDerWaalsContact O-OH 3.14Å
650	P	97.1	Very high	89.3	Confident	7 Å²	7	45.5 Å²	45.5	5%	0.045	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.9	-177.2	28.7	-36.3	0	0	0	113.9	P648 R653 L734 D736 E770 Q774	P648-P650 VanDerWaalsContact O-CD 3.27Å; P648-P650 WeakPolarHBondContact O-CD 3.49Å; P650-R653 PolarHBondContact O-NH1 3.12Å; P650-R653 PolarHBondContact O-NH2 3.27Å; P650-L734 HydrophobicContact CB-CD1 4.39Å; P650-L734 HydrophobicContact CG-CB 4.32Å; P650-L734 HydrophobicContact CG-CD1 4.42Å; P650-D736 HydrophobicContact CG-CB 4.05Å; P650-E770 HydrophobicContact CB-CB 4.15Å; P650-E770 HydrophobicContact CB-CG 4.26Å; P650-E770 WeakPolarHBondContact CB-O 3.48Å; P650-E770 HydrophobicContact CG-CG 4.47Å; P650-Q774 PolarHBondContact O-NE2 3.11Å
651	S	96.1	Very high	91.1	Very high	44 Å²	44	43.6 Å²	43.6	31%	0.308	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-21.6	170.4	-80.7	0	0	0	0	114.8	N649 R653 D736 Q738	N649-S651 PolarHBondContact O-N 2.91Å; N649-S651 PolarHBondContact OD1-N 2.69Å; S651-R653 VanDerWaalsContact CA-NH1 3.34Å; S651-R653 PolarHBondContact O-N 3.19Å; S651-R653 PolarHBondContact O-NH1 3.11Å; S651-D736 WeakPolarHBondContact CB-OD2 3.24Å; S651-D736 PolarHBondContact N-OD2 3.28Å; S651-D736 PolarHBondContact OG-OD2 3.49Å; S651-Q738 VanDerWaalsContact OG-CD 3.24Å; S651-Q738 PolarHBondContact OG-NE2 3.41Å
652	C	96.1	Very high	92.9	Very high	14 Å²	14	36.3 Å²	36.3	10%	0.095	18%	0.181	C	C	.	.			trans	-73.1	132.2	-177.8	-173.7	0	0	0	0	111.2	P627 N649 Y658 Q774	P627-C652 VanDerWaalsContact O-CB 3.29Å; P627-C652 WeakPolarHBondContact O-CB 3.49Å; N649-C652 HydrophobicContact CB-CB 3.83Å; N649-C652 PolarHBondContact O-N 2.84Å; N649-C652 PolarHBondContact OD1-N 2.93Å; C652-Y658 HydrophobicContact CB-CE2 4Å; C652-Q774 PolarHBondContact O-NE2 3.36Å
653	R	96.1	Very high	94.5	Very high	122 Å²	122	37.1 Å²	37.1	46%	0.46	18%	0.182	S	C	.	.			trans	-118.3	13.2	-177.9	-65.9	-61.2	177	-70.7	24	114.1	P650 S651 F655 E773	P650-R653 PolarHBondContact O-NH1 3.12Å; P650-R653 PolarHBondContact O-NH2 3.27Å; S651-R653 VanDerWaalsContact CA-NH1 3.34Å; S651-R653 PolarHBondContact O-N 3.19Å; S651-R653 PolarHBondContact O-NH1 3.11Å; R653-F655 HydrophobicContact CB-CE2 4.34Å; R653-F655 HydrophobicContact CG-CZ 4.49Å; R653-F655 WeakPolarHBondContact O-CD2 3.24Å; R653-F655 PolarHBondContact O-N 3.49Å; R653-E773 IonicContact CZ-OE2 2.75Å; R653-E773 IonicContact NE-OE2 3.6Å; R653-E773 PolarHBondContact NE-OE2 3.41Å; R653-E773 IonicContact NH2-OE2 3.68Å; R653-E773 PolarHBondContact NH2-OE2 3.03Å
654	D	96.4	Very high	95.6	Very high	54 Å²	54	31.1 Å²	31.1	29%	0.289	16%	0.16	S	C	.	.			trans	-79.2	66.2	172.4	-163	-23.7	0	0	0	110.6	F628 A656 K657 Y658	F628-D654 HydrophobicContact CE1-CB 4.06Å; D654-A656 PolarHBondContact O-N 2.99Å; D654-K657 PolarHBondContact O-N 2.8Å; D654-K657 PolarHBondContact OD1-N 3.11Å; D654-K657 VanDerWaalsContact OD2-CD 3.25Å; D654-K657 WeakPolarHBondContact OD2-CD 3.29Å; D654-K657 VanDerWaalsContact OD2-CE 3.25Å; D654-K657 WeakPolarHBondContact OD2-CE 3.49Å; D654-K657 IonicContact OD2-NZ 2.72Å; D654-K657 PolarHBondContact OD2-NZ 2.73Å; D654-Y658 WeakPolarHBondContact O-CD2 3.46Å; D654-Y658 PolarHBondContact O-N 3.42Å
655	F	98	Very high	96.7	Very high	70 Å²	70	26.4 Å²	26.4	31%	0.307	14%	0.135	S	C	.	.	H	α-helix	trans	-62	-23.9	-176.8	-61.4	-56.5	0	0	0	113.2	R653 Y658 E659 E773 Q774 A777	R653-F655 HydrophobicContact CB-CE2 4.34Å; R653-F655 HydrophobicContact CG-CZ 4.49Å; R653-F655 WeakPolarHBondContact O-CD2 3.24Å; R653-F655 PolarHBondContact O-N 3.49Å; F655-Y658 HydrophobicContact CD1-CD2 4.34Å; F655-Y658 PolarHBondContact O-N 3.44Å; F655-E659 WeakPolarHBondContact O-CB 3.43Å; F655-E659 PolarHBondContact O-N 3.32Å; F655-E773 HydrophobicContact CE1-CB 3.49Å; F655-E773 VanDerWaalsContact CE1-CB 3.49Å; F655-E773 HydrophobicContact CZ-CB 3.6Å; F655-E773 HydrophobicContact CZ-CG 4.39Å; F655-Q774 HydrophobicContact CE1-CG 4.3Å; F655-A777 HydrophobicContact CB-CB 4.08Å; F655-A777 HydrophobicContact CD1-CB 4.02Å; F655-A777 HydrophobicContact CG-CB 4.48Å
656	A	96.6	Very high	97	Very high	47 Å²	47	24.1 Å²	24.1	39%	0.388	12%	0.123	S	C	.	.	H	α-helix	trans	-68.3	-39	176.4	0	0	0	0	0	112	Y563 D654 E659 W660	Y563-A656 WeakPolarHBondContact OH-CB 3.34Å; D654-A656 PolarHBondContact O-N 2.99Å; A656-E659 PolarHBondContact O-N 3.46Å; A656-W660 PolarHBondContact O-N 2.8Å
657	K	96.8	Very high	97	Very high	25 Å²	25	24 Å²	24	11%	0.109	12%	0.123	C	C	.	.	H	α-helix	trans	-75.2	-34	174.2	-70.3	179.5	-164.1	139.3	0	112.8	F559 Y563 F628 D654 E659 W660 I661	F559-K657 HydrophobicContact CE1-CB 4.1Å; F559-K657 HydrophobicContact CE1-CD 4.04Å; F559-K657 HydrophobicContact CE1-CG 4.3Å; F559-K657 HydrophobicContact CZ-CB 4.3Å; Y563-K657 HydrophobicContact CD1-CD 4.07Å; Y563-K657 VanDerWaalsContact CD1-CE 3.5Å; Y563-K657 HydrophobicContact CD1-CG 3.8Å; Y563-K657 HydrophobicContact CD2-CG 4.43Å; Y563-K657 HydrophobicContact CE1-CD 4.13Å; Y563-K657 HydrophobicContact CE1-CG 3.57Å; Y563-K657 HydrophobicContact CE2-CG 4.26Å; Y563-K657 HydrophobicContact CG-CG 4.21Å; F628-K657 HydrophobicContact CD1-CB 4.43Å; F628-K657 HydrophobicContact CE1-CB 3.84Å; F628-K657 HydrophobicContact CE1-CD 3.83Å; F628-K657 HydrophobicContact CE1-CG 4.48Å; F628-K657 HydrophobicContact CE2-CD 4.47Å; F628-K657 HydrophobicContact CZ-CB 4.13Å; F628-K657 HydrophobicContact CZ-CD 3.49Å; F628-K657 VanDerWaalsContact CZ-CD 3.49Å; F628-K657 HydrophobicContact CZ-CG 4.45Å; D654-K657 PolarHBondContact O-N 2.8Å; D654-K657 PolarHBondContact OD1-N 3.11Å; D654-K657 VanDerWaalsContact OD2-CD 3.25Å; D654-K657 WeakPolarHBondContact OD2-CD 3.29Å; D654-K657 VanDerWaalsContact OD2-CE 3.25Å; D654-K657 WeakPolarHBondContact OD2-CE 3.49Å; D654-K657 IonicContact OD2-NZ 2.72Å; D654-K657 PolarHBondContact OD2-NZ 2.73Å; K657-E659 VanDerWaalsContact C-N 3.33Å; K657-W660 PolarHBondContact O-N 3.47Å; K657-I661 WeakPolarHBondContact O-CG1 3.46Å; K657-I661 PolarHBondContact O-N 3.17Å
658	Y	98.4	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-42.3	167.6	-77.1	-65.6	0	0	0	111.8	F628 P648 N649 C652 D654 F655 W660 I661 G662 Q774 M778	F628-Y658 HydrophobicContact CB-CE1 3.91Å; F628-Y658 VanDerWaalsContact O-CE1 3.27Å; F628-Y658 WeakPolarHBondContact O-CE1 3.42Å; F628-Y658 PolarHBondContact O-OH 3.11Å; P648-Y658 HydrophobicContact CB-CE1 4.03Å; N649-Y658 PolarHBondContact N-OH 3.32Å; N649-Y658 VanDerWaalsContact N-OH 3.08Å; N649-Y658 PolarHBondContact O-OH 3.46Å; N649-Y658 VanDerWaalsContact O-OH 3.14Å; C652-Y658 HydrophobicContact CB-CE2 4Å; D654-Y658 WeakPolarHBondContact O-CD2 3.46Å; D654-Y658 PolarHBondContact O-N 3.42Å; F655-Y658 HydrophobicContact CD1-CD2 4.34Å; F655-Y658 PolarHBondContact O-N 3.44Å; Y658-W660 VanDerWaalsContact C-N 3.35Å; Y658-W660 PolarHBondContact O-N 2.7Å; Y658-I661 PolarHBondContact O-N 2.86Å; Y658-G662 PolarHBondContact O-N 2.96Å; Y658-Q774 HydrophobicContact CD1-CB 4.31Å; Y658-Q774 HydrophobicContact CD2-CB 4.2Å; Y658-Q774 HydrophobicContact CD2-CG 4.07Å; Y658-Q774 HydrophobicContact CE1-CB 3.97Å; Y658-Q774 HydrophobicContact CE1-CG 4.27Å; Y658-Q774 HydrophobicContact CE2-CB 3.83Å; Y658-Q774 HydrophobicContact CE2-CG 3.36Å; Y658-Q774 HydrophobicContact CG-CB 4.4Å; Y658-Q774 VanDerWaalsContact CZ-CG 3.45Å; Y658-Q774 WeakPolarHBondContact OH-CG 3.49Å; Y658-M778 HydrophobicContact CD1-CG 3.97Å; Y658-M778 HydrophobicContact CD1-SD 4.16Å; Y658-M778 HydrophobicContact CG-CG 4.48Å; Y658-M778 WeakPolarHBondContact O-CA 3.25Å; Y658-M778 WeakPolarHBondContact O-CG 3.43Å
659	E	98.2	Very high	96.7	Very high	54 Å²	54	24.2 Å²	24.2	25%	0.252	12%	0.124	S	C	.	.	H	α-helix	trans	-63.5	-40.2	175	-165.3	-179.5	-140	0	0	111.6	F655 A656 K657 G662 Q663 A777 G781 K784	F655-E659 WeakPolarHBondContact O-CB 3.43Å; F655-E659 PolarHBondContact O-N 3.32Å; A656-E659 PolarHBondContact O-N 3.46Å; K657-E659 VanDerWaalsContact C-N 3.33Å; E659-G662 WeakPolarHBondContact O-CA 3.17Å; E659-G662 PolarHBondContact O-N 3.12Å; E659-Q663 PolarHBondContact O-N 3.32Å; E659-A777 WeakPolarHBondContact CA-O 3.23Å; E659-G781 VanDerWaalsContact CG-CA 3.47Å; E659-G781 WeakPolarHBondContact O-CA 3.47Å; E659-K784 WeakPolarHBondContact OE1-CE 3.43Å; E659-K784 IonicContact OE1-NZ 3.2Å; E659-K784 PolarHBondContact OE1-NZ 3.49Å; E659-K784 IonicContact OE2-NZ 2.95Å; E659-K784 PolarHBondContact OE2-NZ 3.11Å
660	W	97.7	Very high	96.4	Very high	8 Å²	8	23.5 Å²	23.5	3%	0.03	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-37	174.6	-176.3	58.6	0	0	0	113.3	F559 V562 Y563 L566 Y578 M611 A656 K657 Y658 G662 Q663 L664	F559-W660 HydrophobicContact CD2-CE3 4.35Å; F559-W660 HydrophobicContact CD2-CH2 4.47Å; F559-W660 AromaticContact CD2-CZ3 3.63Å; F559-W660 HydrophobicContact CD2-CZ3 3.63Å; F559-W660 HydrophobicContact CE1-CE3 4.38Å; F559-W660 HydrophobicContact CE1-CZ3 4.3Å; F559-W660 AromaticContact CE2-CE3 3.59Å; F559-W660 HydrophobicContact CE2-CE3 3.59Å; F559-W660 HydrophobicContact CE2-CH2 4.41Å; F559-W660 AromaticContact CE2-CZ3 3.32Å; F559-W660 HydrophobicContact CE2-CZ3 3.32Å; F559-W660 HydrophobicContact CG-CZ3 4.23Å; F559-W660 AromaticContact CZ-CE3 3.6Å; F559-W660 HydrophobicContact CZ-CE3 3.6Å; F559-W660 AromaticContact CZ-CZ3 3.7Å; F559-W660 HydrophobicContact CZ-CZ3 3.7Å; V562-W660 HydrophobicContact CB-CH2 3.94Å; V562-W660 HydrophobicContact CG1-CH2 3.53Å; V562-W660 HydrophobicContact CG1-CZ2 3.72Å; Y563-W660 HydrophobicContact CD2-CB 4.01Å; Y563-W660 AromaticContact CD2-CD2 3.59Å; Y563-W660 HydrophobicContact CD2-CD2 3.59Å; Y563-W660 AromaticContact CD2-CE3 3.55Å; Y563-W660 HydrophobicContact CD2-CE3 3.55Å; Y563-W660 AromaticContact CD2-CG 3.78Å; Y563-W660 HydrophobicContact CD2-CG 3.78Å; Y563-W660 HydrophobicContact CD2-CZ3 4.24Å; Y563-W660 HydrophobicContact CE2-CB 3.88Å; Y563-W660 HydrophobicContact CE2-CD2 4.36Å; Y563-W660 HydrophobicContact CE2-CG 4.08Å; Y563-W660 HydrophobicContact CG-CD2 4.45Å; Y563-W660 HydrophobicContact CG-CE3 4.02Å; Y563-W660 HydrophobicContact CG-CZ3 4.33Å; L566-W660 HydrophobicContact CD1-CZ2 4.04Å; Y578-W660 AromaticContact CZ-NE1 3.85Å; Y578-W660 PolarHBondContact OH-NE1 3.07Å; M611-W660 HydrophobicContact CE-CH2 4.37Å; M611-W660 HydrophobicContact SD-CH2 3.65Å; M611-W660 HydrophobicContact SD-CZ3 4.17Å; A656-W660 PolarHBondContact O-N 2.8Å; K657-W660 PolarHBondContact O-N 3.47Å; Y658-W660 VanDerWaalsContact C-N 3.35Å; Y658-W660 PolarHBondContact O-N 2.7Å; W660-G662 VanDerWaalsContact C-N 3.27Å; W660-G662 PolarHBondContact O-N 3.29Å; W660-Q663 WeakPolarHBondContact O-CB 3.4Å; W660-Q663 PolarHBondContact O-N 3.25Å; W660-Q663 VanDerWaalsContact O-N 3.09Å; W660-L664 HydrophobicContact CD2-CD1 4.17Å; W660-L664 HydrophobicContact CD2-CG 4.36Å; W660-L664 HydrophobicContact CE3-CD1 4.24Å; W660-L664 HydrophobicContact CH2-CD1 3.84Å; W660-L664 HydrophobicContact CZ2-CD1 3.73Å; W660-L664 HydrophobicContact CZ2-CD2 4Å; W660-L664 HydrophobicContact CZ2-CG 4.11Å; W660-L664 HydrophobicContact CZ3-CD1 4.09Å; W660-L664 WeakPolarHBondContact O-CG 3.42Å; W660-L664 PolarHBondContact O-N 3.06Å
661	I	98.4	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.6	-46.9	168.6	-70.3	161.3	0	0	0	109.6	F559 L615 F628 F629 K657 Y658 Q663 L664 M665 L675 L677 M778	F559-I661 HydrophobicContact CE2-CD1 4.17Å; F559-I661 HydrophobicContact CE2-CG1 3.66Å; F559-I661 HydrophobicContact CZ-CD1 3.79Å; F559-I661 HydrophobicContact CZ-CG1 3.6Å; L615-I661 HydrophobicContact CD1-CD1 4.39Å; L615-I661 HydrophobicContact CD1-CG1 4.27Å; L615-I661 HydrophobicContact CD2-CD1 3.92Å; F628-I661 HydrophobicContact CB-CD1 4.37Å; F628-I661 HydrophobicContact CG-CD1 4.46Å; F629-I661 HydrophobicContact CE2-CD1 4.08Å; K657-I661 WeakPolarHBondContact O-CG1 3.46Å; K657-I661 PolarHBondContact O-N 3.17Å; Y658-I661 PolarHBondContact O-N 2.86Å; I661-Q663 VanDerWaalsContact C-N 3.32Å; I661-Q663 PolarHBondContact O-N 2.91Å; I661-L664 PolarHBondContact O-N 3.38Å; I661-L664 VanDerWaalsContact O-N 3.15Å; I661-M665 HydrophobicContact CG2-CG 4.41Å; I661-M665 HydrophobicContact CG2-SD 4.05Å; I661-M665 VanDerWaalsContact O-CG 3.27Å; I661-M665 WeakPolarHBondContact O-CG 3.27Å; I661-M665 PolarHBondContact O-N 2.99Å; I661-L675 HydrophobicContact CG2-CD2 4.44Å; I661-L677 HydrophobicContact CG2-CD1 4.1Å; I661-M778 HydrophobicContact CG2-SD 4.21Å
662	G	98.1	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.4	-43.3	173.6	0	0	0	0	0	113.7	Y658 E659 W660 M665 G666 M778 G781 L782	Y658-G662 PolarHBondContact O-N 2.96Å; E659-G662 WeakPolarHBondContact O-CA 3.17Å; E659-G662 PolarHBondContact O-N 3.12Å; W660-G662 VanDerWaalsContact C-N 3.27Å; W660-G662 PolarHBondContact O-N 3.29Å; G662-M665 WeakPolarHBondContact O-CB 3.13Å; G662-M665 PolarHBondContact O-N 3.36Å; G662-G666 PolarHBondContact O-N 3.5Å; G662-M778 VanDerWaalsContact CA-O 3.23Å; G662-M778 WeakPolarHBondContact CA-O 3.39Å; G662-G781 VanDerWaalsContact C-C 3.42Å; G662-L782 VanDerWaalsContact C-N 3.34Å; G662-L782 VanDerWaalsContact O-CA 3.26Å; G662-L782 WeakPolarHBondContact O-CA 3.21Å; G662-L782 PolarHBondContact O-N 2.64Å
663	Q	97.4	Very high	94.9	Very high	35 Å²	35	26.5 Å²	26.5	16%	0.164	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-42.6	175.8	-68.8	-178.2	-37.2	0	0	112.1	Y578 E659 W660 I661 G666 A667 G781 K784 V785	Y578-Q663 HydrophobicContact CD2-CB 4.11Å; Y578-Q663 HydrophobicContact CE2-CB 4.2Å; E659-Q663 PolarHBondContact O-N 3.32Å; W660-Q663 WeakPolarHBondContact O-CB 3.4Å; W660-Q663 PolarHBondContact O-N 3.25Å; W660-Q663 VanDerWaalsContact O-N 3.09Å; I661-Q663 VanDerWaalsContact C-N 3.32Å; I661-Q663 PolarHBondContact O-N 2.91Å; Q663-G666 CarbonylContact O-C 3.55Å; Q663-G666 PolarHBondContact O-N 2.75Å; Q663-A667 WeakPolarHBondContact O-CB 3.38Å; Q663-A667 PolarHBondContact O-N 3.2Å; Q663-G781 WeakPolarHBondContact CG-O 3.2Å; Q663-K784 HydrophobicContact CG-CB 4.46Å; Q663-V785 HydrophobicContact CB-CG2 4.05Å; Q663-V785 HydrophobicContact CG-CG2 4.13Å
664	L	96.9	Very high	94.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.2	-37.6	175.1	-67	179.1	0	0	0	112.2	Y578 W588 M611 W660 I661 G666 A667 A668 L675	Y578-L664 HydrophobicContact CE1-CD2 4.23Å; W588-L664 HydrophobicContact CH2-CD2 3.89Å; W588-L664 HydrophobicContact CZ3-CD2 3.91Å; M611-L664 HydrophobicContact CE-CD1 4.21Å; W660-L664 HydrophobicContact CD2-CD1 4.17Å; W660-L664 HydrophobicContact CD2-CG 4.36Å; W660-L664 HydrophobicContact CE3-CD1 4.24Å; W660-L664 HydrophobicContact CH2-CD1 3.84Å; W660-L664 HydrophobicContact CZ2-CD1 3.73Å; W660-L664 HydrophobicContact CZ2-CD2 4Å; W660-L664 HydrophobicContact CZ2-CG 4.11Å; W660-L664 HydrophobicContact CZ3-CD1 4.09Å; W660-L664 WeakPolarHBondContact O-CG 3.42Å; W660-L664 PolarHBondContact O-N 3.06Å; I661-L664 PolarHBondContact O-N 3.38Å; I661-L664 VanDerWaalsContact O-N 3.15Å; L664-G666 VanDerWaalsContact C-N 3.33Å; L664-A667 WeakPolarHBondContact O-CB 3.34Å; L664-A667 PolarHBondContact O-N 3.05Å; L664-A668 WeakPolarHBondContact O-CB 3.33Å; L664-A668 PolarHBondContact O-N 3.48Å; L664-L675 HydrophobicContact CB-CD2 3.88Å; L664-L675 HydrophobicContact CD1-CD1 4.45Å
665	M	97.7	Very high	94.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-42.7	172.1	-62.9	171.2	84.1	0	0	110.9	I661 G662 A667 A668 L669 L675 L677 W684 L687 L782 V803	I661-M665 HydrophobicContact CG2-CG 4.41Å; I661-M665 HydrophobicContact CG2-SD 4.05Å; I661-M665 VanDerWaalsContact O-CG 3.27Å; I661-M665 WeakPolarHBondContact O-CG 3.27Å; I661-M665 PolarHBondContact O-N 2.99Å; G662-M665 WeakPolarHBondContact O-CB 3.13Å; G662-M665 PolarHBondContact O-N 3.36Å; M665-A667 VanDerWaalsContact C-N 3.34Å; M665-A667 PolarHBondContact O-N 2.74Å; M665-A668 PolarHBondContact O-N 2.96Å; M665-L669 WeakPolarHBondContact O-CB 3.32Å; M665-L669 PolarHBondContact O-N 3.39Å; M665-L675 HydrophobicContact CG-CD2 3.8Å; M665-L677 HydrophobicContact CE-CD1 4.11Å; M665-L677 HydrophobicContact CG-CD1 4.2Å; M665-L677 HydrophobicContact SD-CD1 4.02Å; M665-W684 HydrophobicContact CE-CE3 4.24Å; M665-W684 HydrophobicContact CE-CH2 3.54Å; M665-W684 HydrophobicContact CE-CZ3 3.3Å; M665-L687 HydrophobicContact CE-CD1 3.76Å; M665-L782 HydrophobicContact CB-CD1 4.32Å; M665-V803 HydrophobicContact CB-CG1 3.88Å; M665-V803 HydrophobicContact CB-CG2 4.01Å; M665-V803 HydrophobicContact CE-CG1 4.12Å; M665-V803 HydrophobicContact CG-CG1 3.79Å
666	G	95.9	Very high	94.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.3	-32.5	175.5	0	0	0	0	0	114.1	G662 Q663 L664 R670 L782 V785 V786	G662-G666 PolarHBondContact O-N 3.5Å; Q663-G666 CarbonylContact O-C 3.55Å; Q663-G666 PolarHBondContact O-N 2.75Å; L664-G666 VanDerWaalsContact C-N 3.33Å; G666-R670 PolarHBondContact O-N 2.95Å; G666-L782 VanDerWaalsContact CA-CD1 3.47Å; G666-V785 VanDerWaalsContact C-CG1 3.47Å; G666-V786 VanDerWaalsContact CA-CG2 3.49Å
667	A	94.3	Very high	94	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-48.6	173	0	0	0	0	0	110.7	Y578 W587 Q663 L664 M665 L669 R670 G671	Y578-A667 HydrophobicContact CD1-CB 3.91Å; Y578-A667 HydrophobicContact CG-CB 4.16Å; W587-A667 HydrophobicContact CD2-CB 4Å; W587-A667 HydrophobicContact CE3-CB 4.03Å; W587-A667 HydrophobicContact CH2-CB 3.71Å; W587-A667 VanDerWaalsContact CZ2-C 3.4Å; W587-A667 HydrophobicContact CZ2-CB 3.61Å; W587-A667 VanDerWaalsContact CZ2-O 3.24Å; W587-A667 WeakPolarHBondContact CZ2-O 3.45Å; W587-A667 HydrophobicContact CZ3-CB 3.89Å; Q663-A667 WeakPolarHBondContact O-CB 3.38Å; Q663-A667 PolarHBondContact O-N 3.2Å; L664-A667 WeakPolarHBondContact O-CB 3.34Å; L664-A667 PolarHBondContact O-N 3.05Å; M665-A667 VanDerWaalsContact C-N 3.34Å; M665-A667 PolarHBondContact O-N 2.74Å; A667-L669 VanDerWaalsContact C-N 3.33Å; A667-L669 PolarHBondContact O-N 2.8Å; A667-R670 CarbonylContact O-C 3.1Å; A667-R670 PolarHBondContact O-N 2.66Å; A667-R670 VanDerWaalsContact O-N 3.12Å; A667-G671 PolarHBondContact O-N 3.27Å
668	A	93.6	Very high	93.7	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.017	8%	0.081	C	C	.	.	H	α-helix	trans	-57.5	-43.2	175.1	0	0	0	0	0	112.3	L664 M665 R670 G671 E673 K802 V803	L664-A668 WeakPolarHBondContact O-CB 3.33Å; L664-A668 PolarHBondContact O-N 3.48Å; M665-A668 PolarHBondContact O-N 2.96Å; A668-R670 PolarHBondContact O-N 2.81Å; A668-G671 PolarHBondContact O-N 2.89Å; A668-E673 WeakPolarHBondContact CA-O 3.2Å; A668-E673 WeakPolarHBondContact CB-O 3.39Å; A668-K802 CarbonylContact C-O 3.59Å; A668-V803 WeakPolarHBondContact CB-O 3.29Å
669	L	93.9	Very high	93.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-31	177	-172.7	149.1	0	0	0	113.7	L520 M665 A667 V786 V790 L794 L799 K802	L520-L669 HydrophobicContact CD1-CD2 4.05Å; L520-L669 HydrophobicContact CD2-CD2 3.94Å; M665-L669 WeakPolarHBondContact O-CB 3.32Å; M665-L669 PolarHBondContact O-N 3.39Å; A667-L669 VanDerWaalsContact C-N 3.33Å; A667-L669 PolarHBondContact O-N 2.8Å; L669-V786 HydrophobicContact CB-CG2 4.26Å; L669-V786 HydrophobicContact CD1-CG1 4.32Å; L669-V786 HydrophobicContact CD1-CG2 4.35Å; L669-V786 HydrophobicContact CD2-CG1 3.94Å; L669-V786 HydrophobicContact CD2-CG2 3.82Å; L669-V786 HydrophobicContact CG-CG2 4.36Å; L669-V790 HydrophobicContact CD2-CG1 4.21Å; L669-L794 HydrophobicContact CD1-CD1 3.91Å; L669-L799 HydrophobicContact CD1-CD1 3.67Å; L669-K802 HydrophobicContact CB-CB 4.46Å; L669-K802 HydrophobicContact CD1-CB 4.38Å; L669-K802 HydrophobicContact CG-CB 4.03Å; L669-K802 HydrophobicContact CG-CD 4.2Å
670	R	91.1	Very high	93.1	Very high	7 Å²	7	13.3 Å²	13.3	3%	0.026	7%	0.071	C	C	.	.	H	α-helix	trans	-87.4	-21.3	173	-72.5	-178.5	175.6	-88	-3.6	114	L520 S523 M582 G666 A667 A668 V785	L520-R670 HydrophobicContact CD2-CG 4.12Å; L520-R670 PolarHBondContact O-NH1 3.38Å; S523-R670 PolarHBondContact OG-NH2 2.64Å; M582-R670 WeakPolarHBondContact CE-O 3.09Å; M582-R670 WeakPolarHBondContact CG-O 3.49Å; G666-R670 PolarHBondContact O-N 2.95Å; A667-R670 CarbonylContact O-C 3.1Å; A667-R670 PolarHBondContact O-N 2.66Å; A667-R670 VanDerWaalsContact O-N 3.12Å; A668-R670 PolarHBondContact O-N 2.81Å; R670-V785 VanDerWaalsContact CZ-O 3.3Å; R670-V785 PolarHBondContact NE-O 3.49Å; R670-V785 PolarHBondContact NH2-O 2.81Å
671	G	87.5	Confident	92.8	Very high	16 Å²	16	13.7 Å²	13.7	17%	0.165	8%	0.078	C	C	.	.	S	Bend	trans	-89.9	-161.8	-170.5	0	0	0	0	0	114.1	A667 A668	A667-G671 PolarHBondContact O-N 3.27Å; A668-G671 PolarHBondContact O-N 2.89Å
672	K	83	Confident	92.5	Very high	101 Å²	101	14.1 Å²	14.1	44%	0.439	8%	0.08	S	C	.	.	S	Bend	trans	-120	9.1	168.2	-51.7	176.7	-156.9	144.1	0	111.6	M582 D585 R855	M582-K672 VanDerWaalsContact O-CE 3.23Å; M582-K672 WeakPolarHBondContact O-CE 3.49Å; D585-K672 HydrophobicContact CB-CB 4.47Å; D585-K672 WeakPolarHBondContact OD2-CD 3.31Å; D585-K672 WeakPolarHBondContact OD2-CE 3.33Å; D585-K672 IonicContact OD2-NZ 2.74Å; D585-K672 PolarHBondContact OD2-NZ 2.77Å; K672-R855 PolarHBondContact O-NH1 2.62Å; K672-R855 PolarHBondContact O-NH2 3.43Å
673	E	86.8	Confident	92.5	Very high	11 Å²	11	14.1 Å²	14.1	5%	0.051	8%	0.08	C	C	.	.	S	Bend	trans	-128.6	145.5	-167.3	-63.6	-69.4	175.2	0	0	108.4	D585 F604 R605 L608 A668 R855	D585-E673 HydrophobicContact CB-CG 4.41Å; F604-E673 HydrophobicContact CE1-CB 4.46Å; F604-E673 HydrophobicContact CE1-CG 4.18Å; R605-E673 VanDerWaalsContact CD-OE1 3.3Å; R605-E673 WeakPolarHBondContact CD-OE1 3.43Å; R605-E673 WeakPolarHBondContact CG-OE1 3.48Å; R605-E673 IonicContact NH1-OE1 3.39Å; L608-E673 HydrophobicContact CD1-CB 4.14Å; A668-E673 WeakPolarHBondContact CA-O 3.2Å; A668-E673 WeakPolarHBondContact CB-O 3.39Å; E673-R855 IonicContact OE1-CZ 2.98Å; E673-R855 IonicContact OE1-NH2 3.18Å; E673-R855 PolarHBondContact OE1-NH2 3.11Å; E673-R855 IonicContact OE2-CZ 3.67Å; E673-R855 VanDerWaalsContact OE2-CZ 3.26Å; E673-R855 IonicContact OE2-NE 2.64Å; E673-R855 PolarHBondContact OE2-NE 3.04Å; E673-R855 IonicContact OE2-NH2 2.7Å; E673-R855 PolarHBondContact OE2-NH2 3.45Å
674	F	89.6	Confident	92.4	Very high	28 Å²	28	12.4 Å²	12.4	12%	0.123	7%	0.072	C	C	.	.			trans	-115.7	144	-162.6	-54.9	-52.7	0	0	0	113.2	V676 V803 C804 P859	F674-V676 HydrophobicContact CB-CG2 4.11Å; F674-V803 CarbonylContact C-O 3.59Å; F674-V803 VanDerWaalsContact CA-O 3.32Å; F674-V803 WeakPolarHBondContact CA-O 3.06Å; F674-C804 WeakPolarHBondContact CB-O 3.49Å; F674-C804 WeakPolarHBondContact CG-O 3.42Å; F674-P859 HydrophobicContact CZ-CG 4.44Å
675	L	93.4	Very high	92.2	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	8%	0.078	C	C	.	.			trans	-102	101.1	164.2	-175.8	74.5	0	0	0	107.2	I661 L664 M665 L677 V803 C804	I661-L675 HydrophobicContact CG2-CD2 4.44Å; L664-L675 HydrophobicContact CB-CD2 3.88Å; L664-L675 HydrophobicContact CD1-CD1 4.45Å; M665-L675 HydrophobicContact CG-CD2 3.8Å; L675-L677 HydrophobicContact CD2-CD1 3.91Å; L675-L677 HydrophobicContact CD2-CD2 4.27Å; L675-L677 HydrophobicContact CD2-CG 4.1Å; L675-L677 HydrophobicContact CG-CD1 4.41Å; L675-L677 HydrophobicContact CG-CD2 4.07Å; L675-L677 HydrophobicContact CG-CG 4.04Å; L675-L677 PolarHBondContact O-N 2.89Å; L675-L677 VanDerWaalsContact O-N 3.08Å; L675-V803 HydrophobicContact CB-CG1 4.4Å; L675-V803 PolarHBondContact N-O 3.5Å; L675-C804 PolarHBondContact O-SG 3.16Å
676	V	91	Very high	92.1	Very high	34 Å²	34	15.7 Å²	15.7	21%	0.206	9%	0.087	C	C	.	.			trans	-85.3	89.7	-168.2	-174.9	0	0	0	0	110.3	S612 F674	S612-V676 PolarHBondContact OG-N 3.4Å; F674-V676 HydrophobicContact CB-CG2 4.11Å
677	L	93.4	Very high	92.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.			trans	-99.5	121.9	177.5	-54.4	-179.3	0	0	0	110.8	L615 I661 M665 L675 L679 C804	L615-L677 HydrophobicContact CB-CD2 4.17Å; L615-L677 HydrophobicContact CD1-CD2 4Å; I661-L677 HydrophobicContact CG2-CD1 4.1Å; M665-L677 HydrophobicContact CE-CD1 4.11Å; M665-L677 HydrophobicContact CG-CD1 4.2Å; M665-L677 HydrophobicContact SD-CD1 4.02Å; L675-L677 HydrophobicContact CD2-CD1 3.91Å; L675-L677 HydrophobicContact CD2-CD2 4.27Å; L675-L677 HydrophobicContact CD2-CG 4.1Å; L675-L677 HydrophobicContact CG-CD1 4.41Å; L675-L677 HydrophobicContact CG-CD2 4.07Å; L675-L677 HydrophobicContact CG-CG 4.04Å; L675-L677 PolarHBondContact O-N 2.89Å; L675-L677 VanDerWaalsContact O-N 3.08Å; L677-L679 VanDerWaalsContact C-N 3.32Å; L677-L679 HydrophobicContact CB-CD1 4.01Å; L677-L679 HydrophobicContact CB-CG 3.86Å; L677-L679 HydrophobicContact CD1-CD1 4.16Å; L677-L679 PolarHBondContact O-N 2.81Å; L677-L679 VanDerWaalsContact O-N 3.08Å; L677-C804 PolarHBondContact N-SG 2.92Å; L677-C804 VanDerWaalsContact N-SG 3.4Å
678	A	90.7	Very high	91.9	Very high	24 Å²	24	15.9 Å²	15.9	20%	0.198	9%	0.088	C	C	.	.			trans	-84	72.7	176.7	0	0	0	0	0	110.5	C616 M645 Y646	C616-A678 HydrophobicContact CB-CB 4.22Å; M645-A678 CarbonylContact C-O 3.55Å; M645-A678 WeakPolarHBondContact CA-O 3.16Å; M645-A678 WeakPolarHBondContact CB-O 3.44Å; Y646-A678 HydrophobicContact CD2-CB 4.21Å; Y646-A678 PolarHBondContact N-O 2.79Å
679	L	93.6	Very high	91.6	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	10%	0.103	C	C	.	.			trans	-107.8	141.8	-179.8	-49.1	175	0	0	0	110.6	F629 Y646 L677 V683 W684	F629-L679 HydrophobicContact CD1-CD2 3.88Å; F629-L679 HydrophobicContact CE1-CD1 4.46Å; F629-L679 HydrophobicContact CE1-CD2 3.61Å; F629-L679 HydrophobicContact CZ-CD2 4.32Å; Y646-L679 VanDerWaalsContact O-CD2 3.3Å; Y646-L679 WeakPolarHBondContact O-CD2 3.43Å; L677-L679 VanDerWaalsContact C-N 3.32Å; L677-L679 HydrophobicContact CB-CD1 4.01Å; L677-L679 HydrophobicContact CB-CG 3.86Å; L677-L679 HydrophobicContact CD1-CD1 4.16Å; L677-L679 PolarHBondContact O-N 2.81Å; L677-L679 VanDerWaalsContact O-N 3.08Å; L679-V683 HydrophobicContact CB-CB 4.26Å; L679-V683 HydrophobicContact CD1-CG1 4.11Å; L679-W684 HydrophobicContact CB-CZ2 4.32Å; L679-W684 HydrophobicContact CD1-CZ2 4.18Å; L679-W684 HydrophobicContact CG-CZ2 4.43Å; L679-W684 VanDerWaalsContact O-CD1 3.3Å; L679-W684 PolarHBondContact O-NE1 2.99Å
680	P	91.5	Very high	91.4	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.013	11%	0.107	C	C	.	.			trans	-72.9	155.9	177.1	31.1	-33.7	0	0	0	111.3	T632 A642 M645 Y646 V647 F682 V683 W684 A700 V701	T632-P680 HydrophobicContact CG2-CG 4.48Å; A642-P680 HydrophobicContact CB-CB 4.32Å; M645-P680 HydrophobicContact SD-CB 4.05Å; Y646-P680 WeakPolarHBondContact O-CD 3.42Å; V647-P680 HydrophobicContact CG1-CG 3.99Å; P680-F682 PolarHBondContact O-N 3.42Å; P680-V683 HydrophobicContact CG-CG2 4.11Å; P680-V683 PolarHBondContact O-N 2.76Å; P680-W684 PolarHBondContact O-N 3.09Å; P680-A700 HydrophobicContact CB-CB 4.02Å; P680-V701 HydrophobicContact CG-CG2 4.22Å
681	G	89.9	Confident	91.2	Very high	17 Å²	17	24.4 Å²	24.4	18%	0.175	14%	0.136	C	C	.	.	H	α-helix	trans	-52.7	-26.8	-179.5	0	0	0	0	0	114.7	V683 W684 K685	G681-V683 PolarHBondContact O-N 3.22Å; G681-W684 PolarHBondContact O-N 3.47Å; G681-K685 WeakPolarHBondContact O-CB 3.42Å; G681-K685 WeakPolarHBondContact O-CG 3.39Å; G681-K685 PolarHBondContact O-N 3.04Å
682	F	93.8	Very high	91.4	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.035	14%	0.139	C	C	.	.	H	α-helix	trans	-50.3	-49.4	168.3	172.3	-111.2	0	0	0	113.2	P680 Q686 V692 D697 F698 V701 L768	P680-F682 PolarHBondContact O-N 3.42Å; F682-Q686 VanDerWaalsContact CZ-NE2 3.3Å; F682-Q686 WeakPolarHBondContact O-CG 3.35Å; F682-Q686 PolarHBondContact O-N 3.06Å; F682-V692 HydrophobicContact CD2-CB 3.98Å; F682-V692 HydrophobicContact CD2-CG1 3.79Å; F682-V692 HydrophobicContact CD2-CG2 4.46Å; F682-V692 HydrophobicContact CE2-CB 4.03Å; F682-V692 HydrophobicContact CE2-CG1 4.14Å; F682-V692 HydrophobicContact CE2-CG2 4.01Å; F682-D697 HydrophobicContact CB-CB 4.3Å; F682-D697 HydrophobicContact CD2-CB 4.19Å; F682-F698 HydrophobicContact CD2-CD2 4.42Å; F682-F698 HydrophobicContact CE1-CD2 4.33Å; F682-F698 HydrophobicContact CE1-CE2 4.23Å; F682-F698 HydrophobicContact CE2-CD2 4.07Å; F682-F698 HydrophobicContact CZ-CD2 4.02Å; F682-F698 HydrophobicContact CZ-CE2 4.12Å; F682-V701 HydrophobicContact CB-CG2 4.28Å; F682-V701 HydrophobicContact CD1-CG2 3.68Å; F682-V701 HydrophobicContact CE1-CG2 4.31Å; F682-V701 HydrophobicContact CG-CG2 4.14Å; F682-L768 HydrophobicContact CD2-CD2 4.5Å; F682-L768 HydrophobicContact CE2-CD2 3.6Å; F682-L768 HydrophobicContact CZ-CD2 4.2Å
683	V	96.4	Very high	91.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-73.3	-40.8	-178.8	-176.8	0	0	0	0	110.6	V647 P648 L679 P680 G681 K685 Q686 L687 V775	V647-V683 HydrophobicContact CB-CG2 4.48Å; V647-V683 HydrophobicContact CG1-CG2 4.08Å; P648-V683 HydrophobicContact CG-CG1 4.14Å; L679-V683 HydrophobicContact CB-CB 4.26Å; L679-V683 HydrophobicContact CD1-CG1 4.11Å; P680-V683 HydrophobicContact CG-CG2 4.11Å; P680-V683 PolarHBondContact O-N 2.76Å; G681-V683 PolarHBondContact O-N 3.22Å; V683-K685 VanDerWaalsContact C-N 3.33Å; V683-K685 PolarHBondContact O-N 3.23Å; V683-Q686 PolarHBondContact O-N 3.18Å; V683-L687 HydrophobicContact CG1-CD1 4.22Å; V683-L687 WeakPolarHBondContact O-CG 3.12Å; V683-L687 PolarHBondContact O-N 2.98Å; V683-V775 HydrophobicContact CG1-CG2 4.43Å
684	W	95.9	Very high	92	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-38	176.9	-66.5	110.3	0	0	0	112.8	M665 L679 P680 G681 L687 S688 W796 L799 E800 V803 C804	M665-W684 HydrophobicContact CE-CE3 4.24Å; M665-W684 HydrophobicContact CE-CH2 3.54Å; M665-W684 HydrophobicContact CE-CZ3 3.3Å; L679-W684 HydrophobicContact CB-CZ2 4.32Å; L679-W684 HydrophobicContact CD1-CZ2 4.18Å; L679-W684 HydrophobicContact CG-CZ2 4.43Å; L679-W684 VanDerWaalsContact O-CD1 3.3Å; L679-W684 PolarHBondContact O-NE1 2.99Å; P680-W684 PolarHBondContact O-N 3.09Å; G681-W684 PolarHBondContact O-N 3.47Å; W684-L687 HydrophobicContact CE3-CD1 4.31Å; W684-L687 PolarHBondContact O-N 2.91Å; W684-S688 WeakPolarHBondContact O-CB 3.2Å; W684-S688 PolarHBondContact O-N 2.87Å; W684-S688 PolarHBondContact O-OG 2.86Å; W684-W796 HydrophobicContact CB-CB 3.94Å; W684-W796 HydrophobicContact CB-CD2 4.26Å; W684-W796 HydrophobicContact CB-CE3 3.62Å; W684-W796 HydrophobicContact CB-CG 4.44Å; W684-W796 HydrophobicContact CG-CE3 4.16Å; W684-L799 HydrophobicContact CE3-CD2 4.37Å; W684-L799 HydrophobicContact CE3-CG 4.08Å; W684-L799 HydrophobicContact CZ3-CG 4.26Å; W684-E800 HydrophobicContact CD2-CB 3.89Å; W684-E800 HydrophobicContact CD2-CG 4.27Å; W684-E800 HydrophobicContact CE3-CB 4.2Å; W684-E800 HydrophobicContact CG-CB 4.31Å; W684-E800 HydrophobicContact CH2-CB 4.45Å; W684-E800 HydrophobicContact CH2-CG 4.35Å; W684-E800 HydrophobicContact CZ2-CB 4.17Å; W684-E800 HydrophobicContact CZ2-CG 3.76Å; W684-E800 HydrophobicContact CZ3-CB 4.45Å; W684-V803 HydrophobicContact CH2-CB 4.08Å; W684-V803 HydrophobicContact CH2-CG1 3.96Å; W684-V803 HydrophobicContact CZ3-CB 4.18Å; W684-V803 HydrophobicContact CZ3-CG1 4.34Å; W684-V803 HydrophobicContact CZ3-CG2 4.28Å; W684-C804 VanDerWaalsContact CH2-SG 3.6Å
685	K	93.8	Very high	91.9	Very high	32 Å²	32	24.9 Å²	24.9	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-45.5	172.6	-80.6	-179.5	167	-174.3	0	112.3	G681 V683 L687 S688 G689 E690 V692 D697 W796	G681-K685 WeakPolarHBondContact O-CB 3.42Å; G681-K685 WeakPolarHBondContact O-CG 3.39Å; G681-K685 PolarHBondContact O-N 3.04Å; V683-K685 VanDerWaalsContact C-N 3.33Å; V683-K685 PolarHBondContact O-N 3.23Å; K685-L687 VanDerWaalsContact C-N 3.3Å; K685-L687 PolarHBondContact O-N 2.82Å; K685-S688 PolarHBondContact O-N 3.33Å; K685-S688 PolarHBondContact O-OG 2.72Å; K685-G689 PolarHBondContact O-N 2.79Å; K685-E690 HydrophobicContact CB-CB 4.04Å; K685-E690 HydrophobicContact CG-CB 4.01Å; K685-E690 PolarHBondContact O-N 2.81Å; K685-V692 HydrophobicContact CB-CG1 3.61Å; K685-V692 HydrophobicContact CD-CG1 4.08Å; K685-D697 WeakPolarHBondContact CE-OD1 3.4Å; K685-D697 IonicContact NZ-OD1 2.69Å; K685-D697 PolarHBondContact NZ-OD1 2.7Å; K685-D697 IonicContact NZ-OD2 3.13Å; K685-D697 PolarHBondContact NZ-OD2 3.02Å; K685-W796 HydrophobicContact CG-CB 4.07Å; K685-W796 VanDerWaalsContact CG-CD1 3.46Å; K685-W796 HydrophobicContact CG-CD2 4.36Å; K685-W796 HydrophobicContact CG-CG 3.7Å
686	Q	94.8	Very high	91.4	Very high	38 Å²	38	30 Å²	30	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-40.9	176.7	-65.7	174.8	-35.1	0	0	111.4	F682 V683 G689 V692 L768 V775 Q779	F682-Q686 VanDerWaalsContact CZ-NE2 3.3Å; F682-Q686 WeakPolarHBondContact O-CG 3.35Å; F682-Q686 PolarHBondContact O-N 3.06Å; V683-Q686 PolarHBondContact O-N 3.18Å; Q686-G689 PolarHBondContact O-N 3.13Å; Q686-V692 HydrophobicContact CG-CG1 3.96Å; Q686-V692 HydrophobicContact CG-CG2 4.41Å; Q686-L768 PolarHBondContact NE2-O 2.89Å; Q686-V775 HydrophobicContact CB-CG1 3.74Å; Q686-Q779 PolarHBondContact O-NE2 3.4Å
687	L	95.3	Very high	91.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-39.2	175	-72.2	169.8	0	0	0	113.2	M665 V683 W684 K685 G689 V775 M778 Q779 L799	M665-L687 HydrophobicContact CE-CD1 3.76Å; V683-L687 HydrophobicContact CG1-CD1 4.22Å; V683-L687 WeakPolarHBondContact O-CG 3.12Å; V683-L687 PolarHBondContact O-N 2.98Å; W684-L687 HydrophobicContact CE3-CD1 4.31Å; W684-L687 PolarHBondContact O-N 2.91Å; K685-L687 VanDerWaalsContact C-N 3.3Å; K685-L687 PolarHBondContact O-N 2.82Å; L687-G689 VanDerWaalsContact C-N 3.26Å; L687-G689 PolarHBondContact O-N 2.85Å; L687-V775 HydrophobicContact CD2-CG1 3.9Å; L687-V775 HydrophobicContact CG-CG1 4.11Å; L687-M778 HydrophobicContact CD2-CB 3.8Å; L687-M778 HydrophobicContact CD2-CE 4.36Å; L687-Q779 HydrophobicContact CD2-CB 4.31Å; L687-Q779 PolarHBondContact O-NE2 2.96Å; L687-L799 HydrophobicContact CB-CD2 4.17Å
688	S	91.1	Very high	91.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-78.4	-6.4	177.5	83.4	0	0	0	0	113.5	K503 W684 K685 E690	K503-S688 PolarHBondContact NZ-O 2.82Å; W684-S688 WeakPolarHBondContact O-CB 3.2Å; W684-S688 PolarHBondContact O-N 2.87Å; W684-S688 PolarHBondContact O-OG 2.86Å; K685-S688 PolarHBondContact O-N 3.33Å; K685-S688 PolarHBondContact O-OG 2.72Å; S688-E690 VanDerWaalsContact C-N 3.34Å; S688-E690 WeakPolarHBondContact OG-CG 3.25Å; S688-E690 PolarHBondContact OG-OE1 2.98Å
689	G	87.6	Confident	91.3	Very high	33 Å²	33	29.9 Å²	29.9	34%	0.34	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	24	-175.8	0	0	0	0	0	114.3	K685 Q686 L687	K685-G689 PolarHBondContact O-N 2.79Å; Q686-G689 PolarHBondContact O-N 3.13Å; L687-G689 VanDerWaalsContact C-N 3.26Å; L687-G689 PolarHBondContact O-N 2.85Å
690	E	88.9	Confident	90.9	Very high	21 Å²	21	30.5 Å²	30.5	10%	0.098	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-86.4	156	172.9	-78.3	170.3	-104.4	0	0	112.3	K503 Q504 K685 S688 W796	K503-E690 HydrophobicContact CB-CG 4.4Å; K503-E690 HydrophobicContact CD-CG 3.44Å; K503-E690 VanDerWaalsContact CD-CG 3.44Å; K503-E690 IonicContact NZ-OE1 2.93Å; Q504-E690 PolarHBondContact NE2-OE2 3.44Å; K685-E690 HydrophobicContact CB-CB 4.04Å; K685-E690 HydrophobicContact CG-CB 4.01Å; K685-E690 PolarHBondContact O-N 2.81Å; S688-E690 VanDerWaalsContact C-N 3.34Å; S688-E690 WeakPolarHBondContact OG-CG 3.25Å; S688-E690 PolarHBondContact OG-OE1 2.98Å; E690-W796 WeakPolarHBondContact OE1-CB 3.18Å; E690-W796 PolarHBondContact OE1-N 3.49Å
691	E	86.8	Confident	90.8	Very high	139 Å²	139	30.4 Å²	30.4	65%	0.65	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-75.9	126.3	-179.5	-163.4	-179	152	0	0	111	R91	R91-E691 IonicContact CZ-OE2 2.69Å; R91-E691 VanDerWaalsContact NH2-CD 3.27Å; R91-E691 IonicContact NH2-OE1 2.83Å; R91-E691 IonicContact NH2-OE2 3.87Å; R91-E691 PolarHBondContact NH2-OE2 3.29Å
692	V	91.5	Very high	91	Very high	37 Å²	37	30.5 Å²	30.5	22%	0.224	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-97	140	175.6	-70.6	0	0	0	0	111.6	F682 K685 Q686 D697	F682-V692 HydrophobicContact CD2-CB 3.98Å; F682-V692 HydrophobicContact CD2-CG1 3.79Å; F682-V692 HydrophobicContact CD2-CG2 4.46Å; F682-V692 HydrophobicContact CE2-CB 4.03Å; F682-V692 HydrophobicContact CE2-CG1 4.14Å; F682-V692 HydrophobicContact CE2-CG2 4.01Å; K685-V692 HydrophobicContact CB-CG1 3.61Å; K685-V692 HydrophobicContact CD-CG1 4.08Å; Q686-V692 HydrophobicContact CG-CG1 3.96Å; Q686-V692 HydrophobicContact CG-CG2 4.41Å; V692-D697 WeakPolarHBondContact CA-OD2 3.48Å
693	S	89.3	Confident	90.8	Very high	40 Å²	40	30.4 Å²	30.4	28%	0.28	17%	0.171	S	C	.	.			trans	-122	131.7	-175.2	-179.7	0	0	0	0	112.2	S695 K696 D697	S693-S695 PolarHBondContact O-N 3.48Å; S693-K696 PolarHBondContact O-N 3.38Å; S693-D697 PolarHBondContact N-OD2 3.16Å; S693-D697 PolarHBondContact O-N 2.8Å
694	W	93.4	Very high	90.5	Very high	22 Å²	22	33.5 Å²	33.5	8%	0.083	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-49.8	-177.9	176.9	-102.5	0	0	0	113.7	K696 F698 P699 L705 V706 L709 Q764 R767 L768	W694-K696 VanDerWaalsContact C-N 3.34Å; W694-K696 PolarHBondContact O-N 3.42Å; W694-F698 HydrophobicContact CD2-CB 4.44Å; W694-F698 HydrophobicContact CE3-CB 3.95Å; W694-F698 AromaticContact CE3-CD1 3.88Å; W694-F698 HydrophobicContact CE3-CD1 3.88Å; W694-F698 AromaticContact CE3-CG 3.89Å; W694-F698 HydrophobicContact CE3-CG 3.89Å; W694-F698 AromaticContact CH2-CD1 3.58Å; W694-F698 HydrophobicContact CH2-CD1 3.58Å; W694-F698 AromaticContact CH2-CE1 3.84Å; W694-F698 HydrophobicContact CH2-CE1 3.84Å; W694-F698 HydrophobicContact CH2-CG 4.41Å; W694-F698 HydrophobicContact CZ2-CD1 4.38Å; W694-F698 HydrophobicContact CZ3-CB 4.24Å; W694-F698 AromaticContact CZ3-CD1 3.27Å; W694-F698 HydrophobicContact CZ3-CD1 3.27Å; W694-F698 HydrophobicContact CZ3-CD2 4.37Å; W694-F698 AromaticContact CZ3-CE1 3.65Å; W694-F698 HydrophobicContact CZ3-CE1 3.65Å; W694-F698 AromaticContact CZ3-CG 3.69Å; W694-F698 HydrophobicContact CZ3-CG 3.69Å; W694-F698 HydrophobicContact CZ3-CZ 4.36Å; W694-F698 VanDerWaalsContact O-CB 3.32Å; W694-F698 WeakPolarHBondContact O-CB 3.44Å; W694-P699 WeakPolarHBondContact O-CD 3.34Å; W694-L705 HydrophobicContact CH2-CD2 4.07Å; W694-L705 HydrophobicContact CH2-CG 4.08Å; W694-L705 HydrophobicContact CZ2-CG 4.3Å; W694-V706 HydrophobicContact CD2-CG2 4.4Å; W694-V706 HydrophobicContact CH2-CG2 4.39Å; W694-V706 HydrophobicContact CZ2-CB 4.38Å; W694-V706 HydrophobicContact CZ2-CG2 3.79Å; W694-L709 HydrophobicContact CH2-CD1 4.2Å; W694-L709 HydrophobicContact CZ2-CD1 3.6Å; W694-L709 HydrophobicContact CZ2-CG 4.27Å; W694-Q764 HydrophobicContact CD2-CB 4.19Å; W694-Q764 HydrophobicContact CD2-CG 3.59Å; W694-Q764 HydrophobicContact CE3-CB 4.1Å; W694-Q764 HydrophobicContact CE3-CG 3.96Å; W694-Q764 HydrophobicContact CG-CG 3.88Å; W694-Q764 HydrophobicContact CH2-CG 4.47Å; W694-Q764 HydrophobicContact CZ2-CG 4.16Å; W694-Q764 HydrophobicContact CZ3-CB 4.5Å; W694-Q764 HydrophobicContact CZ3-CG 4.38Å; W694-R767 HydrophobicContact CH2-CB 4.43Å; W694-R767 HydrophobicContact CZ3-CB 4Å; W694-L768 HydrophobicContact CB-CD1 4.36Å; W694-L768 HydrophobicContact CE3-CD1 4.23Å; W694-L768 HydrophobicContact CE3-CD2 4.27Å; W694-L768 HydrophobicContact CE3-CG 3.99Å
695	S	87.7	Confident	90.5	Very high	67 Å²	67	34.6 Å²	34.6	47%	0.469	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2	-174.1	52.5	0	0	0	0	114.4	S693	S693-S695 PolarHBondContact O-N 3.48Å
696	K	82.9	Confident	90.5	Very high	109 Å²	109	33.2 Å²	33.2	47%	0.474	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-43.9	-176.1	-65	168.5	174.3	164.3	0	112.8	E277 S693 W694	E277-K696 IonicContact OE1-NZ 2.68Å; E277-K696 PolarHBondContact OE1-NZ 2.94Å; E277-K696 IonicContact OE2-NZ 3.28Å; E277-K696 PolarHBondContact OE2-NZ 2.81Å; S693-K696 PolarHBondContact O-N 3.38Å; W694-K696 VanDerWaalsContact C-N 3.34Å; W694-K696 PolarHBondContact O-N 3.42Å
697	D	89.9	Confident	90.4	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.107	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-37.9	-174	-59	-58.1	0	0	0	112.7	F682 K685 V692 S693 A700	F682-D697 HydrophobicContact CB-CB 4.3Å; F682-D697 HydrophobicContact CD2-CB 4.19Å; K685-D697 WeakPolarHBondContact CE-OD1 3.4Å; K685-D697 IonicContact NZ-OD1 2.69Å; K685-D697 PolarHBondContact NZ-OD1 2.7Å; K685-D697 IonicContact NZ-OD2 3.13Å; K685-D697 PolarHBondContact NZ-OD2 3.02Å; V692-D697 WeakPolarHBondContact CA-OD2 3.48Å; S693-D697 PolarHBondContact N-OD2 3.16Å; S693-D697 PolarHBondContact O-N 2.8Å; D697-A700 PolarHBondContact O-N 3.03Å
698	F	94.1	Very high	90.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.3	178.8	-149.4	-101.9	0	0	0	115.9	F682 W694 A700 V701 D702 V706 R767 L768	F682-F698 HydrophobicContact CD2-CD2 4.42Å; F682-F698 HydrophobicContact CE1-CD2 4.33Å; F682-F698 HydrophobicContact CE1-CE2 4.23Å; F682-F698 HydrophobicContact CE2-CD2 4.07Å; F682-F698 HydrophobicContact CZ-CD2 4.02Å; F682-F698 HydrophobicContact CZ-CE2 4.12Å; W694-F698 HydrophobicContact CD2-CB 4.44Å; W694-F698 HydrophobicContact CE3-CB 3.95Å; W694-F698 AromaticContact CE3-CD1 3.88Å; W694-F698 HydrophobicContact CE3-CD1 3.88Å; W694-F698 AromaticContact CE3-CG 3.89Å; W694-F698 HydrophobicContact CE3-CG 3.89Å; W694-F698 AromaticContact CH2-CD1 3.58Å; W694-F698 HydrophobicContact CH2-CD1 3.58Å; W694-F698 AromaticContact CH2-CE1 3.84Å; W694-F698 HydrophobicContact CH2-CE1 3.84Å; W694-F698 HydrophobicContact CH2-CG 4.41Å; W694-F698 HydrophobicContact CZ2-CD1 4.38Å; W694-F698 HydrophobicContact CZ3-CB 4.24Å; W694-F698 AromaticContact CZ3-CD1 3.27Å; W694-F698 HydrophobicContact CZ3-CD1 3.27Å; W694-F698 HydrophobicContact CZ3-CD2 4.37Å; W694-F698 AromaticContact CZ3-CE1 3.65Å; W694-F698 HydrophobicContact CZ3-CE1 3.65Å; W694-F698 AromaticContact CZ3-CG 3.69Å; W694-F698 HydrophobicContact CZ3-CG 3.69Å; W694-F698 HydrophobicContact CZ3-CZ 4.36Å; W694-F698 VanDerWaalsContact O-CB 3.32Å; W694-F698 WeakPolarHBondContact O-CB 3.44Å; F698-A700 PolarHBondContact O-N 2.84Å; F698-A700 VanDerWaalsContact O-N 3.15Å; F698-V701 HydrophobicContact CD2-CB 4.21Å; F698-V701 HydrophobicContact CD2-CG2 4.25Å; F698-V701 HydrophobicContact CE1-CB 4.4Å; F698-V701 HydrophobicContact CE2-CB 3.98Å; F698-V701 HydrophobicContact CE2-CG1 4.06Å; F698-V701 HydrophobicContact CE2-CG2 4.21Å; F698-V701 HydrophobicContact CZ-CB 4.06Å; F698-V701 HydrophobicContact CZ-CG1 3.91Å; F698-V701 PolarHBondContact O-N 2.96Å; F698-D702 HydrophobicContact CD1-CB 4.35Å; F698-D702 HydrophobicContact CE1-CB 3.81Å; F698-D702 PolarHBondContact O-N 2.91Å; F698-V706 HydrophobicContact CB-CG2 4.29Å; F698-V706 HydrophobicContact CD1-CG2 4.1Å; F698-R767 HydrophobicContact CE1-CB 4.05Å; F698-R767 HydrophobicContact CE2-CB 4.29Å; F698-R767 HydrophobicContact CZ-CB 3.68Å; F698-L768 HydrophobicContact CB-CD2 4.31Å; F698-L768 HydrophobicContact CD2-CD2 3.86Å; F698-L768 HydrophobicContact CG-CD2 4.33Å
699	P	89.2	Confident	90.6	Very high	35 Å²	35	41 Å²	41	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-20.3	171.9	-23.5	34.9	0	0	0	114.1	N634 W694 V701 S703 V706	N634-P699 PolarHBondContact ND2-O 3.12Å; W694-P699 WeakPolarHBondContact O-CD 3.34Å; P699-V701 VanDerWaalsContact C-N 3.29Å; P699-S703 WeakPolarHBondContact O-CB 3.48Å; P699-S703 PolarHBondContact O-N 3.37Å; P699-V706 HydrophobicContact CG-CG1 4.3Å; P699-V706 HydrophobicContact CG-CG2 4.2Å
700	A	85	Confident	90.9	Very high	18 Å²	18	44.3 Å²	44.3	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-75.9	-15.6	172.2	0	0	0	0	0	113.2	N634 A642 P680 D697 F698	N634-A700 PolarHBondContact ND2-O 3.33Å; A642-A700 HydrophobicContact CB-CB 4.13Å; A642-A700 WeakPolarHBondContact CB-O 3.45Å; P680-A700 HydrophobicContact CB-CB 4.02Å; D697-A700 PolarHBondContact O-N 3.03Å; F698-A700 PolarHBondContact O-N 2.84Å; F698-A700 VanDerWaalsContact O-N 3.15Å
701	V	90.4	Very high	91.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-98.5	-50.8	174.8	-175.8	0	0	0	0	110.3	A633 N634 V647 P680 F682 F698 P699	A633-V701 WeakPolarHBondContact CB-O 3.41Å; A633-V701 PolarHBondContact N-O 3.4Å; N634-V701 PolarHBondContact N-O 3.08Å; N634-V701 VanDerWaalsContact N-O 3.1Å; V647-V701 HydrophobicContact CG1-CG1 4.1Å; V647-V701 HydrophobicContact CG1-CG2 4Å; P680-V701 HydrophobicContact CG-CG2 4.22Å; F682-V701 HydrophobicContact CB-CG2 4.28Å; F682-V701 HydrophobicContact CD1-CG2 3.68Å; F682-V701 HydrophobicContact CE1-CG2 4.31Å; F682-V701 HydrophobicContact CG-CG2 4.14Å; F698-V701 HydrophobicContact CD2-CB 4.21Å; F698-V701 HydrophobicContact CD2-CG2 4.25Å; F698-V701 HydrophobicContact CE1-CB 4.4Å; F698-V701 HydrophobicContact CE2-CB 3.98Å; F698-V701 HydrophobicContact CE2-CG1 4.06Å; F698-V701 HydrophobicContact CE2-CG2 4.21Å; F698-V701 HydrophobicContact CZ-CB 4.06Å; F698-V701 HydrophobicContact CZ-CG1 3.91Å; F698-V701 PolarHBondContact O-N 2.96Å; P699-V701 VanDerWaalsContact C-N 3.29Å
702	D	92.9	Very high	91.5	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	22%	0.222	C	C	.	.	H	α-helix	trans	-147.9	81.5	-176.2	-164.9	-19	0	0	0	112	A633 F698 V704 L705 V706 R767	A633-D702 HydrophobicContact CB-CB 3.83Å; F698-D702 HydrophobicContact CD1-CB 4.35Å; F698-D702 HydrophobicContact CE1-CB 3.81Å; F698-D702 PolarHBondContact O-N 2.91Å; D702-V704 PolarHBondContact O-N 2.75Å; D702-V704 PolarHBondContact OD1-N 3.15Å; D702-L705 HydrophobicContact CB-CB 4.1Å; D702-L705 PolarHBondContact O-N 2.74Å; D702-L705 WeakPolarHBondContact OD1-CB 3.11Å; D702-L705 PolarHBondContact OD1-N 2.74Å; D702-L705 VanDerWaalsContact OD2-CB 3.28Å; D702-L705 WeakPolarHBondContact OD2-CB 3.46Å; D702-V706 WeakPolarHBondContact O-CG2 2.98Å; D702-V706 PolarHBondContact O-N 3.07Å; D702-R767 IonicContact OD2-NH2 2.8Å
703	S	89.3	Confident	91.7	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.049	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-13.6	176.7	69.4	0	0	0	0	114	N634 G640 P699 K707	N634-S703 WeakPolarHBondContact OD1-CB 3.4Å; N634-S703 PolarHBondContact OD1-N 3.24Å; N634-S703 PolarHBondContact OD1-OG 2.66Å; G640-S703 WeakPolarHBondContact CA-OG 3.18Å; P699-S703 WeakPolarHBondContact O-CB 3.48Å; P699-S703 PolarHBondContact O-N 3.37Å; S703-K707 WeakPolarHBondContact O-CD 3.02Å; S703-K707 WeakPolarHBondContact O-CE 3.45Å; S703-K707 VanDerWaalsContact O-CG 3.27Å; S703-K707 WeakPolarHBondContact O-CG 3.43Å
704	V	91.6	Very high	91.8	Very high	65 Å²	65	44 Å²	44	39%	0.394	25%	0.249	S	C	.	.	H	α-helix	trans	-84.6	-47.2	178.1	179.3	0	0	0	0	109.4	N637 D702 K707 L708	N637-V704 HydrophobicContact CB-CG2 4.22Å; D702-V704 PolarHBondContact O-N 2.75Å; D702-V704 PolarHBondContact OD1-N 3.15Å; V704-K707 PolarHBondContact O-N 3.04Å; V704-L708 WeakPolarHBondContact O-CB 3.4Å; V704-L708 PolarHBondContact O-N 2.9Å
705	L	94.5	Very high	91.8	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-40.8	177.1	-177.9	57.6	0	0	0	112.4	W694 D702 K707 L708 L709 V763 R767	W694-L705 HydrophobicContact CH2-CD2 4.07Å; W694-L705 HydrophobicContact CH2-CG 4.08Å; W694-L705 HydrophobicContact CZ2-CG 4.3Å; D702-L705 HydrophobicContact CB-CB 4.1Å; D702-L705 PolarHBondContact O-N 2.74Å; D702-L705 WeakPolarHBondContact OD1-CB 3.11Å; D702-L705 PolarHBondContact OD1-N 2.74Å; D702-L705 VanDerWaalsContact OD2-CB 3.28Å; D702-L705 WeakPolarHBondContact OD2-CB 3.46Å; L705-K707 PolarHBondContact O-N 2.88Å; L705-L708 HydrophobicContact CD1-CD2 4.38Å; L705-L708 PolarHBondContact O-N 3.39Å; L705-L709 HydrophobicContact CD1-CD2 4.12Å; L705-L709 HydrophobicContact CD1-CG 4.12Å; L705-L709 WeakPolarHBondContact O-CG 3.32Å; L705-L709 PolarHBondContact O-N 3.26Å; L705-V763 HydrophobicContact CD1-CG1 4.33Å; L705-V763 HydrophobicContact CD2-CG1 4.12Å; L705-R767 HydrophobicContact CD2-CG 3.86Å
706	V	93.8	Very high	92.2	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-56.2	-52.5	175.8	174	0	0	0	0	110.6	W694 F698 P699 D702 L708 L709 E710	W694-V706 HydrophobicContact CD2-CG2 4.4Å; W694-V706 HydrophobicContact CH2-CG2 4.39Å; W694-V706 HydrophobicContact CZ2-CB 4.38Å; W694-V706 HydrophobicContact CZ2-CG2 3.79Å; F698-V706 HydrophobicContact CB-CG2 4.29Å; F698-V706 HydrophobicContact CD1-CG2 4.1Å; P699-V706 HydrophobicContact CG-CG1 4.3Å; P699-V706 HydrophobicContact CG-CG2 4.2Å; D702-V706 WeakPolarHBondContact O-CG2 2.98Å; D702-V706 PolarHBondContact O-N 3.07Å; V706-L708 VanDerWaalsContact C-N 3.32Å; V706-L708 PolarHBondContact O-N 3.44Å; V706-L709 PolarHBondContact O-N 2.69Å; V706-E710 HydrophobicContact CG1-CG 4.48Å; V706-E710 WeakPolarHBondContact O-CG 3.33Å; V706-E710 PolarHBondContact O-N 3.31Å
707	K	92.8	Very high	92.8	Very high	120 Å²	120	42.9 Å²	42.9	52%	0.522	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-36.3	178.6	-68.1	168.7	-167.6	153.2	0	112.6	S703 V704 L705 V711	S703-K707 WeakPolarHBondContact O-CD 3.02Å; S703-K707 WeakPolarHBondContact O-CE 3.45Å; S703-K707 VanDerWaalsContact O-CG 3.27Å; S703-K707 WeakPolarHBondContact O-CG 3.43Å; V704-K707 PolarHBondContact O-N 3.04Å; L705-K707 PolarHBondContact O-N 2.88Å; K707-V711 WeakPolarHBondContact O-CB 3.28Å; K707-V711 VanDerWaalsContact O-CG2 3.29Å; K707-V711 WeakPolarHBondContact O-CG2 3.45Å; K707-V711 PolarHBondContact O-N 2.68Å
708	L	94.2	Very high	93	Very high	80 Å²	80	48.3 Å²	48.3	42%	0.419	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-45.9	176.5	179.2	62.2	0	0	0	111.4	V704 L705 V706 M712 F724	V704-L708 WeakPolarHBondContact O-CB 3.4Å; V704-L708 PolarHBondContact O-N 2.9Å; L705-L708 HydrophobicContact CD1-CD2 4.38Å; L705-L708 PolarHBondContact O-N 3.39Å; V706-L708 VanDerWaalsContact C-N 3.32Å; V706-L708 PolarHBondContact O-N 3.44Å; L708-M712 VanDerWaalsContact O-CB 3.27Å; L708-M712 WeakPolarHBondContact O-CB 3.37Å; L708-M712 PolarHBondContact O-N 2.98Å; L708-F724 HydrophobicContact CD1-CE1 4.45Å; L708-F724 HydrophobicContact CD1-CZ 4.03Å
709	L	96.4	Very high	93	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-70.7	-37.3	178.6	-59.7	-166.3	0	0	0	112.3	W694 L705 V706 M712 E713 F759 I760 V763 Q764	W694-L709 HydrophobicContact CH2-CD1 4.2Å; W694-L709 HydrophobicContact CZ2-CD1 3.6Å; W694-L709 HydrophobicContact CZ2-CG 4.27Å; L705-L709 HydrophobicContact CD1-CD2 4.12Å; L705-L709 HydrophobicContact CD1-CG 4.12Å; L705-L709 WeakPolarHBondContact O-CG 3.32Å; L705-L709 PolarHBondContact O-N 3.26Å; V706-L709 PolarHBondContact O-N 2.69Å; L709-M712 HydrophobicContact CD2-SD 4.48Å; L709-M712 PolarHBondContact O-N 2.99Å; L709-E713 PolarHBondContact O-N 3.27Å; L709-F759 HydrophobicContact CD2-CE1 4.32Å; L709-I760 HydrophobicContact CB-CG1 4.24Å; L709-I760 HydrophobicContact CB-CG2 4.27Å; L709-I760 HydrophobicContact CD1-CG2 4.23Å; L709-I760 HydrophobicContact CD2-CG1 4.15Å; L709-V763 HydrophobicContact CD1-CB 4Å; L709-V763 HydrophobicContact CD1-CG1 3.81Å; L709-Q764 HydrophobicContact CD1-CG 3.99Å
710	E	94.3	Very high	93.3	Very high	102 Å²	102	48.9 Å²	48.9	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-60.5	-45.9	173.9	-72.8	171.2	163.8	0	0	111.8	V706 M712 G714	V706-E710 HydrophobicContact CG1-CG 4.48Å; V706-E710 WeakPolarHBondContact O-CG 3.33Å; V706-E710 PolarHBondContact O-N 3.31Å; E710-M712 VanDerWaalsContact C-N 3.31Å; E710-M712 PolarHBondContact O-N 3.27Å; E710-G714 PolarHBondContact O-N 3.1Å
711	V	94.8	Very high	93.6	Very high	84 Å²	84	52.5 Å²	52.5	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-30	175.2	169.2	0	0	0	0	112	K707 M715	K707-V711 WeakPolarHBondContact O-CB 3.28Å; K707-V711 VanDerWaalsContact O-CG2 3.29Å; K707-V711 WeakPolarHBondContact O-CG2 3.45Å; K707-V711 PolarHBondContact O-N 2.68Å; V711-M715 HydrophobicContact CG1-CE 3.69Å; V711-M715 WeakPolarHBondContact O-CB 3.5Å; V711-M715 WeakPolarHBondContact O-CE 3.3Å; V711-M715 PolarHBondContact O-N 3.29Å
712	M	94.8	Very high	93.8	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-74.6	-37.8	177	-177.9	177.2	155.1	0	0	113	L708 L709 E710 M715 F720 L728 V751 R756 F759 I760	L708-M712 VanDerWaalsContact O-CB 3.27Å; L708-M712 WeakPolarHBondContact O-CB 3.37Å; L708-M712 PolarHBondContact O-N 2.98Å; L709-M712 HydrophobicContact CD2-SD 4.48Å; L709-M712 PolarHBondContact O-N 2.99Å; E710-M712 VanDerWaalsContact C-N 3.31Å; E710-M712 PolarHBondContact O-N 3.27Å; M712-M715 WeakPolarHBondContact O-CB 3.34Å; M712-M715 PolarHBondContact O-N 2.99Å; M712-F720 HydrophobicContact CE-CE2 3.65Å; M712-F720 HydrophobicContact CE-CZ 4.09Å; M712-F720 HydrophobicContact CG-CD2 4.16Å; M712-F720 HydrophobicContact CG-CE2 3.86Å; M712-F720 HydrophobicContact SD-CE2 4.07Å; M712-L728 HydrophobicContact CE-CD2 3.78Å; M712-L728 HydrophobicContact SD-CD2 4.1Å; M712-V751 HydrophobicContact CE-CG1 4.39Å; M712-R756 HydrophobicContact CE-CB 3.6Å; M712-R756 WeakPolarHBondContact O-CD 3.21Å; M712-R756 PolarHBondContact O-NE 3.48Å; M712-F759 HydrophobicContact CE-CB 4.31Å; M712-F759 HydrophobicContact CE-CD1 3.39Å; M712-F759 HydrophobicContact CE-CE1 4.03Å; M712-F759 HydrophobicContact CE-CG 4.14Å; M712-F759 HydrophobicContact SD-CD1 4.1Å; M712-F759 HydrophobicContact SD-CE1 4.22Å; M712-I760 HydrophobicContact CB-CD1 4.1Å; M712-I760 HydrophobicContact CE-CD1 4.3Å; M712-I760 HydrophobicContact CE-CG1 4.13Å; M712-I760 HydrophobicContact CG-CD1 3.95Å; M712-I760 HydrophobicContact CG-CG1 4.48Å; M712-I760 HydrophobicContact SD-CD1 4.3Å; M712-I760 HydrophobicContact SD-CG1 4.19Å
713	E	94	Very high	93.7	Very high	72 Å²	72	65.3 Å²	65.3	34%	0.336	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-48	177.8	-167.5	63.5	-117.6	0	0	110.7	L709 M715 R756 S757 I760	L709-E713 PolarHBondContact O-N 3.27Å; E713-M715 VanDerWaalsContact C-N 3.3Å; E713-M715 PolarHBondContact O-N 3.27Å; E713-R756 PolarHBondContact O-NE 3.05Å; E713-R756 VanDerWaalsContact O-NE 3.13Å; E713-R756 PolarHBondContact O-NH2 2.78Å; E713-S757 VanDerWaalsContact OE1-CB 3.29Å; E713-S757 WeakPolarHBondContact OE1-CB 3.31Å; E713-S757 PolarHBondContact OE1-OG 2.84Å; E713-I760 HydrophobicContact CB-CD1 3.89Å; E713-I760 VanDerWaalsContact OE2-CD1 3.27Å; E713-I760 WeakPolarHBondContact OE2-CD1 3.4Å
714	G	92.3	Very high	93.8	Very high	71 Å²	71	66.6 Å²	66.6	73%	0.732	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	2.9	179	0	0	0	0	0	115.9	E710	E710-G714 PolarHBondContact O-N 3.1Å
715	M	93.6	Very high	93.3	Very high	14 Å²	14	64.8 Å²	64.8	7%	0.069	34%	0.336	C	S	.	.			trans	-71.5	146.4	-178.3	-156.5	163.3	-67	0	0	112	V711 M712 E713 T719 F720 K723 F724 Y753	V711-M715 HydrophobicContact CG1-CE 3.69Å; V711-M715 WeakPolarHBondContact O-CB 3.5Å; V711-M715 WeakPolarHBondContact O-CE 3.3Å; V711-M715 PolarHBondContact O-N 3.29Å; M712-M715 WeakPolarHBondContact O-CB 3.34Å; M712-M715 PolarHBondContact O-N 2.99Å; E713-M715 VanDerWaalsContact C-N 3.3Å; E713-M715 PolarHBondContact O-N 3.27Å; M715-T719 HydrophobicContact CG-CG2 3.95Å; M715-T719 HydrophobicContact SD-CG2 3.77Å; M715-F720 HydrophobicContact CG-CB 4.2Å; M715-F720 HydrophobicContact SD-CB 4.01Å; M715-F720 HydrophobicContact SD-CD2 4.34Å; M715-K723 HydrophobicContact CE-CD 4.07Å; M715-K723 HydrophobicContact SD-CD 4.03Å; M715-F724 HydrophobicContact CE-CE2 3.92Å; M715-F724 HydrophobicContact SD-CD2 4.33Å; M715-F724 HydrophobicContact SD-CE2 3.91Å; M715-Y753 WeakPolarHBondContact O-CE2 3.32Å; M715-Y753 PolarHBondContact O-OH 3.11Å
716	D	95.5	Very high	92.8	Very high	71 Å²	71	72.5 Å²	72.5	38%	0.38	37%	0.368	S	S	.	.			trans	-73.8	167	165.4	60.3	96.8	0	0	0	112.1	E718 T719 F720	D716-E718 PolarHBondContact OD1-N 2.7Å; D716-T719 VanDerWaalsContact CG-OG1 3.23Å; D716-T719 WeakPolarHBondContact OD1-CB 3.48Å; D716-T719 PolarHBondContact OD1-N 2.83Å; D716-T719 PolarHBondContact OD1-OG1 3.03Å; D716-T719 VanDerWaalsContact OD2-CB 3.27Å; D716-T719 WeakPolarHBondContact OD2-CB 3.35Å; D716-T719 PolarHBondContact OD2-OG1 2.86Å; D716-F720 VanDerWaalsContact O-CB 3.29Å; D716-F720 WeakPolarHBondContact O-CB 3.25Å; D716-F720 PolarHBondContact O-N 2.94Å; D716-F720 VanDerWaalsContact O-N 3.1Å
717	K	95.5	Very high	92.4	Very high	89 Å²	89	80.3 Å²	80.3	39%	0.387	40%	0.404	S	S	.	.	H	α-helix	trans	-67.4	-47.7	-174.4	-176	-174	174.7	-152	0	111.6	F720 E721 Y753	K717-F720 PolarHBondContact O-N 2.85Å; K717-E721 WeakPolarHBondContact CE-OE1 3.28Å; K717-E721 VanDerWaalsContact CE-OE2 3.29Å; K717-E721 WeakPolarHBondContact CE-OE2 3.3Å; K717-E721 HydrophobicContact CG-CG 4.42Å; K717-E721 IonicContact NZ-OE1 2.74Å; K717-E721 PolarHBondContact NZ-OE1 3.02Å; K717-E721 IonicContact NZ-OE2 2.68Å; K717-E721 PolarHBondContact O-N 3.49Å; K717-Y753 HydrophobicContact CB-CD1 3.74Å; K717-Y753 HydrophobicContact CB-CD2 4.27Å; K717-Y753 HydrophobicContact CB-CE1 3.69Å; K717-Y753 HydrophobicContact CB-CE2 4.24Å; K717-Y753 HydrophobicContact CB-CG 4.02Å; K717-Y753 HydrophobicContact CD-CD1 4.25Å; K717-Y753 HydrophobicContact CG-CD1 3.64Å; K717-Y753 HydrophobicContact CG-CD2 4.43Å; K717-Y753 HydrophobicContact CG-CE1 4.13Å; K717-Y753 HydrophobicContact CG-CG 3.79Å
718	E	94.9	Very high	92.5	Very high	134 Å²	134	76.2 Å²	76.2	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-63	-45.5	-174.5	-69.4	68.4	-158.6	0	0	111	D716 F722	D716-E718 PolarHBondContact OD1-N 2.7Å; E718-F722 VanDerWaalsContact O-CB 3.29Å; E718-F722 WeakPolarHBondContact O-CB 3.31Å; E718-F722 PolarHBondContact O-N 2.87Å
719	T	93.5	Very high	92.6	Very high	47 Å²	47	73.8 Å²	73.8	29%	0.288	38%	0.377	S	S	.	.	H	α-helix	trans	-67.2	-36.1	175.5	-57.3	0	0	0	0	111.9	M715 D716 K723	M715-T719 HydrophobicContact CG-CG2 3.95Å; M715-T719 HydrophobicContact SD-CG2 3.77Å; D716-T719 VanDerWaalsContact CG-OG1 3.23Å; D716-T719 WeakPolarHBondContact OD1-CB 3.48Å; D716-T719 PolarHBondContact OD1-N 2.83Å; D716-T719 PolarHBondContact OD1-OG1 3.03Å; D716-T719 VanDerWaalsContact OD2-CB 3.27Å; D716-T719 WeakPolarHBondContact OD2-CB 3.35Å; D716-T719 PolarHBondContact OD2-OG1 2.86Å; T719-K723 HydrophobicContact CG2-CD 3.96Å; T719-K723 HydrophobicContact CG2-CG 4.41Å; T719-K723 WeakPolarHBondContact O-CB 3.25Å; T719-K723 WeakPolarHBondContact O-CG 3.29Å; T719-K723 PolarHBondContact O-N 3.4Å
720	F	94.6	Very high	92.7	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-67.2	-48.8	175.9	-178.3	-90.9	0	0	0	112.1	M712 M715 D716 K717 F722 K723 F724 G725 L728 V751 Y753 R756	M712-F720 HydrophobicContact CE-CE2 3.65Å; M712-F720 HydrophobicContact CE-CZ 4.09Å; M712-F720 HydrophobicContact CG-CD2 4.16Å; M712-F720 HydrophobicContact CG-CE2 3.86Å; M712-F720 HydrophobicContact SD-CE2 4.07Å; M715-F720 HydrophobicContact CG-CB 4.2Å; M715-F720 HydrophobicContact SD-CB 4.01Å; M715-F720 HydrophobicContact SD-CD2 4.34Å; D716-F720 VanDerWaalsContact O-CB 3.29Å; D716-F720 WeakPolarHBondContact O-CB 3.25Å; D716-F720 PolarHBondContact O-N 2.94Å; D716-F720 VanDerWaalsContact O-N 3.1Å; K717-F720 PolarHBondContact O-N 2.85Å; F720-F722 VanDerWaalsContact C-N 3.26Å; F720-F722 PolarHBondContact O-N 2.82Å; F720-K723 PolarHBondContact O-N 2.98Å; F720-F724 HydrophobicContact CD2-CB 4.34Å; F720-F724 AromaticContact CD2-CD2 3.46Å; F720-F724 HydrophobicContact CD2-CD2 3.46Å; F720-F724 VanDerWaalsContact CD2-CD2 3.46Å; F720-F724 HydrophobicContact CD2-CE2 4.16Å; F720-F724 HydrophobicContact CD2-CG 4.28Å; F720-F724 HydrophobicContact CE1-CB 4.29Å; F720-F724 HydrophobicContact CE2-CB 3.85Å; F720-F724 AromaticContact CE2-CD2 3.49Å; F720-F724 HydrophobicContact CE2-CD2 3.49Å; F720-F724 VanDerWaalsContact CE2-CD2 3.49Å; F720-F724 HydrophobicContact CE2-CE2 4.29Å; F720-F724 AromaticContact CE2-CG 3.92Å; F720-F724 HydrophobicContact CE2-CG 3.92Å; F720-F724 HydrophobicContact CG-CD2 4.25Å; F720-F724 HydrophobicContact CZ-CB 3.83Å; F720-F724 HydrophobicContact CZ-CD2 4.34Å; F720-F724 HydrophobicContact CZ-CG 4.4Å; F720-F724 PolarHBondContact O-N 3.27Å; F720-G725 PolarHBondContact O-N 3.44Å; F720-L728 HydrophobicContact CE2-CD2 4.34Å; F720-L728 HydrophobicContact CZ-CD2 4.17Å; F720-V751 HydrophobicContact CZ-CG1 4.19Å; F720-Y753 HydrophobicContact CB-CD2 3.66Å; F720-Y753 HydrophobicContact CB-CE2 4.26Å; F720-Y753 AromaticContact CD1-CD2 3.98Å; F720-Y753 HydrophobicContact CD1-CD2 3.98Å; F720-Y753 HydrophobicContact CD1-CG 4.4Å; F720-Y753 AromaticContact CG-CD2 3.82Å; F720-Y753 HydrophobicContact CG-CD2 3.82Å; F720-R756 HydrophobicContact CE2-CB 4.2Å; F720-R756 HydrophobicContact CZ-CB 4.32Å
721	E	92.9	Very high	92.8	Very high	94 Å²	94	70.2 Å²	70.2	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-32.9	178.3	-72.5	-177	163.7	0	0	111.7	K717 G725	K717-E721 WeakPolarHBondContact CE-OE1 3.28Å; K717-E721 VanDerWaalsContact CE-OE2 3.29Å; K717-E721 WeakPolarHBondContact CE-OE2 3.3Å; K717-E721 HydrophobicContact CG-CG 4.42Å; K717-E721 IonicContact NZ-OE1 2.74Å; K717-E721 PolarHBondContact NZ-OE1 3.02Å; K717-E721 IonicContact NZ-OE2 2.68Å; K717-E721 PolarHBondContact O-N 3.49Å; E721-G725 PolarHBondContact O-N 2.83Å
722	F	92.9	Very high	92.9	Very high	181 Å²	181	67 Å²	67	79%	0.794	34%	0.342	S	S	*	.	H	α-helix	trans	-68.1	-43.4	172.3	178.1	-99	0	0	0	113.7	E718 F720	E718-F722 VanDerWaalsContact O-CB 3.29Å; E718-F722 WeakPolarHBondContact O-CB 3.31Å; E718-F722 PolarHBondContact O-N 2.87Å; F720-F722 VanDerWaalsContact C-N 3.26Å; F720-F722 PolarHBondContact O-N 2.82Å
723	K	91	Very high	93	Very high	106 Å²	106	70 Å²	70	46%	0.461	36%	0.361	S	S	.	.	H	α-helix	trans	-83.4	-32.6	-175.6	-74.3	-179.5	-178.7	172	0	114.7	M715 T719 F720	M715-K723 HydrophobicContact CE-CD 4.07Å; M715-K723 HydrophobicContact SD-CD 4.03Å; T719-K723 HydrophobicContact CG2-CD 3.96Å; T719-K723 HydrophobicContact CG2-CG 4.41Å; T719-K723 WeakPolarHBondContact O-CB 3.25Å; T719-K723 WeakPolarHBondContact O-CG 3.29Å; T719-K723 PolarHBondContact O-N 3.4Å; F720-K723 PolarHBondContact O-N 2.98Å
724	F	92.9	Very high	93	Very high	35 Å²	35	67.6 Å²	67.6	15%	0.154	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-22.8	-165.1	-59.9	-68.3	0	0	0	114.4	L708 M715 F720 K726 E727 L728	L708-F724 HydrophobicContact CD1-CE1 4.45Å; L708-F724 HydrophobicContact CD1-CZ 4.03Å; M715-F724 HydrophobicContact CE-CE2 3.92Å; M715-F724 HydrophobicContact SD-CD2 4.33Å; M715-F724 HydrophobicContact SD-CE2 3.91Å; F720-F724 HydrophobicContact CD2-CB 4.34Å; F720-F724 AromaticContact CD2-CD2 3.46Å; F720-F724 HydrophobicContact CD2-CD2 3.46Å; F720-F724 VanDerWaalsContact CD2-CD2 3.46Å; F720-F724 HydrophobicContact CD2-CE2 4.16Å; F720-F724 HydrophobicContact CD2-CG 4.28Å; F720-F724 HydrophobicContact CE1-CB 4.29Å; F720-F724 HydrophobicContact CE2-CB 3.85Å; F720-F724 AromaticContact CE2-CD2 3.49Å; F720-F724 HydrophobicContact CE2-CD2 3.49Å; F720-F724 VanDerWaalsContact CE2-CD2 3.49Å; F720-F724 HydrophobicContact CE2-CE2 4.29Å; F720-F724 AromaticContact CE2-CG 3.92Å; F720-F724 HydrophobicContact CE2-CG 3.92Å; F720-F724 HydrophobicContact CG-CD2 4.25Å; F720-F724 HydrophobicContact CZ-CB 3.83Å; F720-F724 HydrophobicContact CZ-CD2 4.34Å; F720-F724 HydrophobicContact CZ-CG 4.4Å; F720-F724 PolarHBondContact O-N 3.27Å; F724-K726 PolarHBondContact O-N 2.85Å; F724-E727 PolarHBondContact O-N 3.16Å; F724-L728 HydrophobicContact CB-CB 3.87Å; F724-L728 HydrophobicContact CB-CD2 4.1Å; F724-L728 HydrophobicContact CD1-CB 4.32Å; F724-L728 HydrophobicContact CD1-CD2 4.16Å; F724-L728 HydrophobicContact CG-CD2 4.21Å; F724-L728 PolarHBondContact O-N 2.86Å
725	G	80.4	Confident	93.1	Very high	27 Å²	27	64.6 Å²	64.6	28%	0.278	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	9.3	-163.5	0	0	0	0	0	117.9	F720 E721	F720-G725 PolarHBondContact O-N 3.44Å; E721-G725 PolarHBondContact O-N 2.83Å
726	K	83.8	Confident	93.1	Very high	184 Å²	184	65.3 Å²	65.3	80%	0.8	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	-8.8	174.5	-64.2	-177.7	-176.9	172.9	0	114.4	F724	F724-K726 PolarHBondContact O-N 2.85Å
727	E	85.8	Confident	93.1	Very high	167 Å²	167	68.6 Å²	68.6	78%	0.78	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-33	-168.6	-64.8	-178.6	-171.2	0	0	112.3	F724 T729	F724-E727 PolarHBondContact O-N 3.16Å; E727-T729 PolarHBondContact O-N 2.93Å
728	L	94.3	Very high	93	Very high	34 Å²	34	69.3 Å²	69.3	18%	0.178	34%	0.34	C	S	.	.			trans	-76.4	114.1	179.2	-170.1	66.9	0	0	0	110.3	M712 F720 F724 I750 V751 F759	M712-L728 HydrophobicContact CE-CD2 3.78Å; M712-L728 HydrophobicContact SD-CD2 4.1Å; F720-L728 HydrophobicContact CE2-CD2 4.34Å; F720-L728 HydrophobicContact CZ-CD2 4.17Å; F724-L728 HydrophobicContact CB-CB 3.87Å; F724-L728 HydrophobicContact CB-CD2 4.1Å; F724-L728 HydrophobicContact CD1-CB 4.32Å; F724-L728 HydrophobicContact CD1-CD2 4.16Å; F724-L728 HydrophobicContact CG-CD2 4.21Å; F724-L728 PolarHBondContact O-N 2.86Å; L728-I750 WeakPolarHBondContact O-CA 3.19Å; L728-V751 HydrophobicContact CB-CB 4.48Å; L728-V751 HydrophobicContact CD2-CB 4.06Å; L728-V751 HydrophobicContact CD2-CG1 4.23Å; L728-V751 HydrophobicContact CD2-CG2 4.31Å; L728-V751 HydrophobicContact CG-CB 4.13Å; L728-V751 HydrophobicContact CG-CG2 4.03Å; L728-V751 PolarHBondContact O-N 2.79Å; L728-F759 HydrophobicContact CD1-CE1 4.18Å; L728-F759 HydrophobicContact CD1-CE2 4.21Å; L728-F759 HydrophobicContact CD1-CZ 3.67Å; L728-F759 HydrophobicContact CD2-CD1 4.34Å; L728-F759 HydrophobicContact CD2-CE1 4.07Å; L728-F759 HydrophobicContact CD2-CZ 4.25Å; L728-F759 HydrophobicContact CG-CE1 4.47Å; L728-F759 HydrophobicContact CG-CE2 4.36Å; L728-F759 HydrophobicContact CG-CZ 4.15Å
729	T	96.8	Very high	93.1	Very high	30 Å²	30	67.6 Å²	67.6	18%	0.184	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-106.8	171.2	173.7	62	0	0	0	0	111.1	E727 T731 I749 F759	E727-T729 PolarHBondContact O-N 2.93Å; T729-T731 PolarHBondContact O-N 3.04Å; T729-T731 PolarHBondContact OG1-OG1 3.4Å; T729-T731 VanDerWaalsContact OG1-OG1 3.11Å; T729-I749 CarbonylContact C-O 3.51Å; T729-I749 WeakPolarHBondContact CA-O 3.43Å; T729-I749 WeakPolarHBondContact CB-O 3.2Å; T729-F759 VanDerWaalsContact O-CE2 3.25Å; T729-F759 WeakPolarHBondContact O-CE2 3.32Å
730	F	97.4	Very high	93.2	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.018	34%	0.337	C	S	.	.	S	Bend	trans	-75.5	63.6	174.7	-76.6	-91.5	0	0	0	112	L742 I743 G746 I749 V751 D755 F759 L762	F730-L742 HydrophobicContact CB-CB 4.34Å; F730-L742 PolarHBondContact O-N 3.29Å; F730-I743 HydrophobicContact CB-CD1 3.84Å; F730-I743 HydrophobicContact CB-CG1 3.75Å; F730-I743 HydrophobicContact CD1-CD1 3.93Å; F730-I743 HydrophobicContact CD1-CG1 4.41Å; F730-I743 HydrophobicContact CD2-CD1 3.8Å; F730-I743 HydrophobicContact CE1-CD1 4.38Å; F730-I743 HydrophobicContact CE2-CD1 4.26Å; F730-I743 HydrophobicContact CG-CD1 3.6Å; F730-I743 HydrophobicContact CG-CG1 4.07Å; F730-G746 PolarHBondContact N-O 3.45Å; F730-I749 HydrophobicContact CD2-CB 3.98Å; F730-I749 HydrophobicContact CD2-CG2 3.61Å; F730-I749 HydrophobicContact CE2-CG2 3.75Å; F730-I749 PolarHBondContact N-O 2.97Å; F730-I749 VanDerWaalsContact N-O 3.1Å; F730-V751 HydrophobicContact CD1-CG2 4.39Å; F730-V751 HydrophobicContact CD2-CG2 3.82Å; F730-V751 HydrophobicContact CE1-CG2 4.49Å; F730-V751 HydrophobicContact CE2-CG2 3.93Å; F730-V751 HydrophobicContact CG-CG2 4.08Å; F730-V751 HydrophobicContact CZ-CG2 4.29Å; F730-D755 HydrophobicContact CZ-CB 3.87Å; F730-F759 HydrophobicContact CD1-CD2 4.19Å; F730-F759 HydrophobicContact CE1-CB 4.21Å; F730-L762 HydrophobicContact CD1-CD1 4.18Å; F730-L762 HydrophobicContact CE1-CD1 4.29Å
731	T	97.6	Very high	93.4	Very high	28 Å²	28	71.9 Å²	71.9	17%	0.172	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.1	175.6	60.4	0	0	0	0	110.6	T729 V739 V740 A747 F759	T729-T731 PolarHBondContact O-N 3.04Å; T729-T731 PolarHBondContact OG1-OG1 3.4Å; T729-T731 VanDerWaalsContact OG1-OG1 3.11Å; T731-V739 HydrophobicContact CG2-CG1 4.33Å; T731-V740 CarbonylContact C-O 3.21Å; T731-V740 WeakPolarHBondContact CA-O 3.37Å; T731-V740 WeakPolarHBondContact CB-O 3.42Å; T731-A747 HydrophobicContact CG2-CB 3.8Å; T731-F759 WeakPolarHBondContact O-CE2 3.5Å
732	T	96.8	Very high	93.6	Very high	15 Å²	15	68.5 Å²	68.5	9%	0.092	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162.7	168.3	-158.9	0	0	0	0	110.9	L734 V739 V740 L742 A766	T732-L734 HydrophobicContact CG2-CD2 4.33Å; T732-V739 WeakPolarHBondContact O-CA 3.42Å; T732-V740 HydrophobicContact CG2-CG2 3.82Å; T732-V740 PolarHBondContact N-O 3.02Å; T732-V740 PolarHBondContact O-N 3.49Å; T732-L742 HydrophobicContact CG2-CD2 3.79Å; T732-A766 HydrophobicContact CG2-CB 4.2Å
733	V	95.6	Very high	93.8	Very high	68 Å²	68	61.4 Å²	61.4	41%	0.412	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.2	176.3	-172.2	0	0	0	0	108.6	Q738 V739 R767	V733-Q738 WeakPolarHBondContact CA-O 3.26Å; V733-V739 HydrophobicContact CG2-CG2 4.41Å; V733-R767 VanDerWaalsContact O-CD 3.26Å; V733-R767 WeakPolarHBondContact O-CD 3.49Å; V733-R767 PolarHBondContact O-NE 3.16Å; V733-R767 VanDerWaalsContact O-NE 3.14Å
734	L	96	Very high	94.1	Very high	21 Å²	21	62.4 Å²	62.4	11%	0.11	33%	0.33	C	S	.	.			trans	-84.5	169	176.1	-63.6	-169.9	0	0	0	111.8	P650 T732 D736 Q737 Q738 V740 E770	P650-L734 HydrophobicContact CB-CD1 4.39Å; P650-L734 HydrophobicContact CG-CB 4.32Å; P650-L734 HydrophobicContact CG-CD1 4.42Å; T732-L734 HydrophobicContact CG2-CD2 4.33Å; L734-D736 WeakPolarHBondContact CB-OD1 3.47Å; L734-D736 PolarHBondContact O-N 3.12Å; L734-D736 VanDerWaalsContact O-N 3.17Å; L734-Q737 WeakPolarHBondContact O-CA 3.31Å; L734-Q737 PolarHBondContact O-N 3.32Å; L734-Q738 PolarHBondContact N-O 3.39Å; L734-V740 HydrophobicContact CD1-CG1 3.69Å; L734-V740 HydrophobicContact CD1-CG2 4.19Å; L734-V740 HydrophobicContact CD2-CG2 3.91Å; L734-V740 HydrophobicContact CG-CG1 4.04Å; L734-V740 HydrophobicContact CG-CG2 3.89Å; L734-E770 WeakPolarHBondContact CB-OE2 3.36Å; L734-E770 HydrophobicContact CD1-CB 4.49Å; L734-E770 HydrophobicContact CD2-CB 3.97Å
735	S	94.1	Very high	94.2	Very high	7 Å²	7	62.6 Å²	62.6	5%	0.049	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.5	-175.5	-60.4	0	0	0	0	113.8	Q737 R767 E770	S735-Q737 VanDerWaalsContact C-N 3.33Å; S735-R767 PolarHBondContact OG-NH1 2.89Å; S735-R767 PolarHBondContact OG-NH2 3.02Å; S735-E770 WeakPolarHBondContact CB-OE1 3.5Å; S735-E770 PolarHBondContact N-OE2 3.35Å; S735-E770 PolarHBondContact OG-OE1 3.45Å; S735-E770 PolarHBondContact OG-OE2 3.24Å
736	D	93.7	Very high	95	Very high	30 Å²	30	61.3 Å²	61.3	16%	0.16	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	8.6	169.9	68.4	-7.7	0	0	0	114.1	V630 P650 S651 L734 Q738	V630-D736 HydrophobicContact CG1-CB 4.25Å; P650-D736 HydrophobicContact CG-CB 4.05Å; S651-D736 WeakPolarHBondContact CB-OD2 3.24Å; S651-D736 PolarHBondContact N-OD2 3.28Å; S651-D736 PolarHBondContact OG-OD2 3.49Å; L734-D736 WeakPolarHBondContact CB-OD1 3.47Å; L734-D736 PolarHBondContact O-N 3.12Å; L734-D736 VanDerWaalsContact O-N 3.17Å; D736-Q738 VanDerWaalsContact C-N 3.31Å; D736-Q738 PolarHBondContact O-N 2.95Å; D736-Q738 WeakPolarHBondContact OD1-CB 3.38Å; D736-Q738 PolarHBondContact OD1-N 2.86Å
737	Q	93.8	Very high	95.5	Very high	140 Å²	140	55.3 Å²	55.3	65%	0.654	31%	0.314	S	S	*	.	S	Bend	trans	69.4	10.9	-175	-48.1	-60.1	-48.1	0	0	115.9	L734 S735	L734-Q737 WeakPolarHBondContact O-CA 3.31Å; L734-Q737 PolarHBondContact O-N 3.32Å; S735-Q737 VanDerWaalsContact C-N 3.33Å
738	Q	95.1	Very high	95.9	Very high	103 Å²	103	50.8 Å²	50.8	48%	0.481	31%	0.311	S	S	.	.			trans	-75.7	138.4	171.8	-67.7	-156.9	14.1	0	0	112.5	S651 V733 L734 D736	S651-Q738 VanDerWaalsContact OG-CD 3.24Å; S651-Q738 PolarHBondContact OG-NE2 3.41Å; V733-Q738 WeakPolarHBondContact CA-O 3.26Å; L734-Q738 PolarHBondContact N-O 3.39Å; D736-Q738 VanDerWaalsContact C-N 3.31Å; D736-Q738 PolarHBondContact O-N 2.95Å; D736-Q738 WeakPolarHBondContact OD1-CB 3.38Å; D736-Q738 PolarHBondContact OD1-N 2.86Å
739	V	96.3	Very high	96	Very high	99 Å²	99	52.6 Å²	52.6	60%	0.6	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.7	171.6	-175.6	0	0	0	0	109	T731 T732 V733	T731-V739 HydrophobicContact CG2-CG1 4.33Å; T732-V739 WeakPolarHBondContact O-CA 3.42Å; V733-V739 HydrophobicContact CG2-CG2 4.41Å
740	V	96.6	Very high	96	Very high	43 Å²	43	55.5 Å²	55.5	26%	0.261	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.3	177.9	-61.4	0	0	0	0	111.6	T731 T732 L734	T731-V740 CarbonylContact C-O 3.21Å; T731-V740 WeakPolarHBondContact CA-O 3.37Å; T731-V740 WeakPolarHBondContact CB-O 3.42Å; T732-V740 HydrophobicContact CG2-CG2 3.82Å; T732-V740 PolarHBondContact N-O 3.02Å; T732-V740 PolarHBondContact O-N 3.49Å; L734-V740 HydrophobicContact CD1-CG1 3.69Å; L734-V740 HydrophobicContact CD1-CG2 4.19Å; L734-V740 HydrophobicContact CD2-CG2 3.91Å; L734-V740 HydrophobicContact CG-CG1 4.04Å; L734-V740 HydrophobicContact CG-CG2 3.89Å
741	E	97.8	Very high	95.9	Very high	94 Å²	94	55.3 Å²	55.3	44%	0.439	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136	174.2	-54.9	-162.3	122.6	0	0	111.6	I743 G745 G746 A747	E741-I743 WeakPolarHBondContact CB-O 3.47Å; E741-G745 VanDerWaalsContact OE1-CA 3.26Å; E741-G745 WeakPolarHBondContact OE1-CA 3.41Å; E741-G745 WeakPolarHBondContact OE2-CA 3.4Å; E741-G745 PolarHBondContact OE2-N 2.92Å; E741-G746 PolarHBondContact OE1-N 2.91Å; E741-A747 HydrophobicContact CG-CB 4.4Å; E741-A747 WeakPolarHBondContact OE1-CB 3.42Å; E741-A747 PolarHBondContact OE1-N 2.69Å
742	L	97.8	Very high	95.7	Very high	22 Å²	22	55.4 Å²	55.4	12%	0.115	34%	0.34	C	S	.	.	S	Bend	trans	-84.2	-20.8	177.8	-61.9	175.3	0	0	0	113	F730 T732 F759 L762 V763 A766	F730-L742 HydrophobicContact CB-CB 4.34Å; F730-L742 PolarHBondContact O-N 3.29Å; T732-L742 HydrophobicContact CG2-CD2 3.79Å; L742-F759 HydrophobicContact CD1-CD2 3.57Å; L742-F759 HydrophobicContact CD1-CE2 3.43Å; L742-F759 VanDerWaalsContact CD1-CE2 3.43Å; L742-F759 HydrophobicContact CD1-CZ 4.28Å; L742-L762 HydrophobicContact CB-CB 4.05Å; L742-L762 HydrophobicContact CB-CD1 4.3Å; L742-L762 HydrophobicContact CD1-CB 4.2Å; L742-L762 HydrophobicContact CD2-CB 4.33Å; L742-L762 HydrophobicContact CG-CB 4.43Å; L742-V763 HydrophobicContact CD1-CG2 3.56Å; L742-V763 HydrophobicContact CD2-CG2 4.39Å; L742-A766 HydrophobicContact CD2-CB 3.76Å
743	I	96.8	Very high	95.6	Very high	32 Å²	32	57.8 Å²	57.8	16%	0.164	35%	0.347	C	S	.	.	S	Bend	trans	-142.5	154.4	173.2	64	-174.9	0	0	0	108	F730 E741 G745 G746 I749 L762	F730-I743 HydrophobicContact CB-CD1 3.84Å; F730-I743 HydrophobicContact CB-CG1 3.75Å; F730-I743 HydrophobicContact CD1-CD1 3.93Å; F730-I743 HydrophobicContact CD1-CG1 4.41Å; F730-I743 HydrophobicContact CD2-CD1 3.8Å; F730-I743 HydrophobicContact CE1-CD1 4.38Å; F730-I743 HydrophobicContact CE2-CD1 4.26Å; F730-I743 HydrophobicContact CG-CD1 3.6Å; F730-I743 HydrophobicContact CG-CG1 4.07Å; E741-I743 WeakPolarHBondContact CB-O 3.47Å; I743-G745 PolarHBondContact O-N 3.44Å; I743-G746 WeakPolarHBondContact O-CA 3.28Å; I743-G746 PolarHBondContact O-N 2.88Å; I743-I749 HydrophobicContact CD1-CD1 3.83Å; I743-I749 HydrophobicContact CG1-CD1 4.39Å; I743-L762 HydrophobicContact CG2-CD1 3.78Å
744	P	96.7	Very high	95.5	Very high	127 Å²	127	58 Å²	58	83%	0.825	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	124.5	178.9	-24.1	34.5	0	0	0	112.4	G746	P744-G746 VanDerWaalsContact C-N 3.26Å
745	G	96.2	Very high	95.4	Very high	40 Å²	40	60 Å²	60	41%	0.412	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	12.2	-173.8	0	0	0	0	0	114.2	E741 I743 A747 G748	E741-G745 VanDerWaalsContact OE1-CA 3.26Å; E741-G745 WeakPolarHBondContact OE1-CA 3.41Å; E741-G745 WeakPolarHBondContact OE2-CA 3.4Å; E741-G745 PolarHBondContact OE2-N 2.92Å; I743-G745 PolarHBondContact O-N 3.44Å; G745-A747 PolarHBondContact O-N 2.87Å; G745-G748 PolarHBondContact O-N 3.38Å
746	G	95.7	Very high	95.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-57.3	-26.6	-176	0	0	0	0	0	115	F730 E741 I743 P744 G748 I749	F730-G746 PolarHBondContact N-O 3.45Å; E741-G746 PolarHBondContact OE1-N 2.91Å; I743-G746 WeakPolarHBondContact O-CA 3.28Å; I743-G746 PolarHBondContact O-N 2.88Å; P744-G746 VanDerWaalsContact C-N 3.26Å; G746-G748 PolarHBondContact O-N 3Å; G746-I749 PolarHBondContact O-N 3.36Å; G746-I749 VanDerWaalsContact O-N 3.12Å
747	A	95.1	Very high	95.6	Very high	58 Å²	58	61.7 Å²	61.7	48%	0.479	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-64.7	-22	174.4	0	0	0	0	0	113.4	T731 E741 G745	T731-A747 HydrophobicContact CG2-CB 3.8Å; E741-A747 HydrophobicContact CG-CB 4.4Å; E741-A747 WeakPolarHBondContact OE1-CB 3.42Å; E741-A747 PolarHBondContact OE1-N 2.69Å; G745-A747 PolarHBondContact O-N 2.87Å
748	G	94.6	Very high	95.8	Very high	71 Å²	71	61.4 Å²	61.4	73%	0.732	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-93.6	-0.6	174.3	0	0	0	0	0	114.9	G745 G746	G745-G748 PolarHBondContact O-N 3.38Å; G746-G748 PolarHBondContact O-N 3Å
749	I	96.1	Very high	95.9	Very high	73 Å²	73	57 Å²	57	37%	0.374	36%	0.355	S	S	.	.			trans	-116	114	-171	-56.9	170.8	0	0	0	109.3	T729 F730 I743 G746	T729-I749 CarbonylContact C-O 3.51Å; T729-I749 WeakPolarHBondContact CA-O 3.43Å; T729-I749 WeakPolarHBondContact CB-O 3.2Å; F730-I749 HydrophobicContact CD2-CB 3.98Å; F730-I749 HydrophobicContact CD2-CG2 3.61Å; F730-I749 HydrophobicContact CE2-CG2 3.75Å; F730-I749 PolarHBondContact N-O 2.97Å; F730-I749 VanDerWaalsContact N-O 3.1Å; I743-I749 HydrophobicContact CD1-CD1 3.83Å; I743-I749 HydrophobicContact CG1-CD1 4.39Å; G746-I749 PolarHBondContact O-N 3.36Å; G746-I749 VanDerWaalsContact O-N 3.12Å
750	I	96	Very high	95.9	Very high	91 Å²	91	52.5 Å²	52.5	47%	0.467	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-73.4	138.5	176.3	-58.9	173.1	0	0	0	109.9	L728 G752	L728-I750 WeakPolarHBondContact O-CA 3.19Å; I750-G752 PolarHBondContact O-N 3.47Å
751	V	95.9	Very high	96	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	34%	0.343	C	S	.	.			trans	-81.2	113.3	178.3	-179	0	0	0	0	110	M712 F720 L728 F730 D755 F759	M712-V751 HydrophobicContact CE-CG1 4.39Å; F720-V751 HydrophobicContact CZ-CG1 4.19Å; L728-V751 HydrophobicContact CB-CB 4.48Å; L728-V751 HydrophobicContact CD2-CB 4.06Å; L728-V751 HydrophobicContact CD2-CG1 4.23Å; L728-V751 HydrophobicContact CD2-CG2 4.31Å; L728-V751 HydrophobicContact CG-CB 4.13Å; L728-V751 HydrophobicContact CG-CG2 4.03Å; L728-V751 PolarHBondContact O-N 2.79Å; F730-V751 HydrophobicContact CD1-CG2 4.39Å; F730-V751 HydrophobicContact CD2-CG2 3.82Å; F730-V751 HydrophobicContact CE1-CG2 4.49Å; F730-V751 HydrophobicContact CE2-CG2 3.93Å; F730-V751 HydrophobicContact CG-CG2 4.08Å; F730-V751 HydrophobicContact CZ-CG2 4.29Å; V751-D755 HydrophobicContact CG1-CB 4.21Å; V751-F759 HydrophobicContact CG1-CB 3.79Å; V751-F759 HydrophobicContact CG1-CD2 4.48Å; V751-F759 HydrophobicContact CG1-CG 4.13Å; V751-F759 HydrophobicContact CG2-CB 4.26Å; V751-F759 HydrophobicContact CG2-CD2 3.53Å; V751-F759 HydrophobicContact CG2-CE2 4.12Å; V751-F759 HydrophobicContact CG2-CG 4.03Å
752	G	93.6	Very high	96	Very high	30 Å²	30	54.1 Å²	54.1	31%	0.309	33%	0.333	S	S	.	.			trans	-79.3	161.7	172.4	0	0	0	0	0	113	I750 G754 D755 R756	I750-G752 PolarHBondContact O-N 3.47Å; G752-G754 PolarHBondContact O-N 2.89Å; G752-D755 WeakPolarHBondContact O-CB 3.38Å; G752-D755 PolarHBondContact O-N 3.28Å; G752-R756 PolarHBondContact O-N 2.89Å
753	Y	94.5	Very high	96.1	Very high	64 Å²	64	53.1 Å²	53.1	25%	0.251	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.2	178.2	177.2	-110.1	0	0	0	114	M715 K717 F720 D755 R756	M715-Y753 WeakPolarHBondContact O-CE2 3.32Å; M715-Y753 PolarHBondContact O-OH 3.11Å; K717-Y753 HydrophobicContact CB-CD1 3.74Å; K717-Y753 HydrophobicContact CB-CD2 4.27Å; K717-Y753 HydrophobicContact CB-CE1 3.69Å; K717-Y753 HydrophobicContact CB-CE2 4.24Å; K717-Y753 HydrophobicContact CB-CG 4.02Å; K717-Y753 HydrophobicContact CD-CD1 4.25Å; K717-Y753 HydrophobicContact CG-CD1 3.64Å; K717-Y753 HydrophobicContact CG-CD2 4.43Å; K717-Y753 HydrophobicContact CG-CE1 4.13Å; K717-Y753 HydrophobicContact CG-CG 3.79Å; F720-Y753 HydrophobicContact CB-CD2 3.66Å; F720-Y753 HydrophobicContact CB-CE2 4.26Å; F720-Y753 AromaticContact CD1-CD2 3.98Å; F720-Y753 HydrophobicContact CD1-CD2 3.98Å; F720-Y753 HydrophobicContact CD1-CG 4.4Å; F720-Y753 AromaticContact CG-CD2 3.82Å; F720-Y753 HydrophobicContact CG-CD2 3.82Å; Y753-D755 VanDerWaalsContact C-N 3.34Å; Y753-R756 VanDerWaalsContact CE2-CZ 3.48Å; Y753-R756 VanDerWaalsContact CE2-NH1 3.32Å; Y753-R756 WeakPolarHBondContact O-CG 3.26Å; Y753-R756 PolarHBondContact O-NH1 3.46Å
754	G	94.1	Very high	96.1	Very high	74 Å²	74	54.2 Å²	54.2	76%	0.763	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.9	174.6	0	0	0	0	0	114	G752	G752-G754 PolarHBondContact O-N 2.89Å
755	D	94.1	Very high	96.1	Very high	61 Å²	61	54.1 Å²	54.1	33%	0.326	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.8	177.6	-67.1	-77.9	0	0	0	113.1	F730 V751 G752 Y753 S757 R758 F759	F730-D755 HydrophobicContact CZ-CB 3.87Å; V751-D755 HydrophobicContact CG1-CB 4.21Å; G752-D755 WeakPolarHBondContact O-CB 3.38Å; G752-D755 PolarHBondContact O-N 3.28Å; Y753-D755 VanDerWaalsContact C-N 3.34Å; D755-S757 PolarHBondContact O-N 2.69Å; D755-R758 CarbonylContact O-C 3.53Å; D755-R758 WeakPolarHBondContact O-CA 3.26Å; D755-R758 WeakPolarHBondContact O-CB 3.41Å; D755-R758 PolarHBondContact O-N 3.05Å; D755-F759 PolarHBondContact O-N 2.7Å
756	R	94.9	Very high	96.2	Very high	39 Å²	39	53.6 Å²	53.6	15%	0.147	31%	0.311	C	S	.	.	H	α-helix	trans	-54.1	-45.6	-168.2	80.3	-175.9	-170.6	-73.4	-3.4	113.6	M712 E713 F720 G752 Y753 R758 F759 I760	M712-R756 HydrophobicContact CE-CB 3.6Å; M712-R756 WeakPolarHBondContact O-CD 3.21Å; M712-R756 PolarHBondContact O-NE 3.48Å; E713-R756 PolarHBondContact O-NE 3.05Å; E713-R756 VanDerWaalsContact O-NE 3.13Å; E713-R756 PolarHBondContact O-NH2 2.78Å; F720-R756 HydrophobicContact CE2-CB 4.2Å; F720-R756 HydrophobicContact CZ-CB 4.32Å; G752-R756 PolarHBondContact O-N 2.89Å; Y753-R756 VanDerWaalsContact CE2-CZ 3.48Å; Y753-R756 VanDerWaalsContact CE2-NH1 3.32Å; Y753-R756 WeakPolarHBondContact O-CG 3.26Å; Y753-R756 PolarHBondContact O-NH1 3.46Å; R756-R758 VanDerWaalsContact C-N 3.3Å; R756-R758 PolarHBondContact O-N 2.89Å; R756-F759 WeakPolarHBondContact O-CB 3.5Å; R756-F759 PolarHBondContact O-N 3.35Å; R756-I760 WeakPolarHBondContact O-CB 3.27Å; R756-I760 WeakPolarHBondContact O-CD1 3.39Å; R756-I760 VanDerWaalsContact O-CG1 3.27Å; R756-I760 WeakPolarHBondContact O-CG1 3.36Å; R756-I760 PolarHBondContact O-N 2.84Å
757	S	96.1	Very high	96.3	Very high	34 Å²	34	53.7 Å²	53.7	24%	0.238	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-29.7	179.8	-39.3	0	0	0	0	112.2	E713 D755 Q761	E713-S757 VanDerWaalsContact OE1-CB 3.29Å; E713-S757 WeakPolarHBondContact OE1-CB 3.31Å; E713-S757 PolarHBondContact OE1-OG 2.84Å; D755-S757 PolarHBondContact O-N 2.69Å; S757-Q761 WeakPolarHBondContact O-CB 3.44Å; S757-Q761 WeakPolarHBondContact O-CG 3.43Å; S757-Q761 PolarHBondContact O-N 2.84Å
758	R	97.1	Very high	96.4	Very high	135 Å²	135	52.6 Å²	52.6	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-72.5	-42.5	172.6	-179.2	-175.6	177	-164.5	-1.1	111.1	D755 R756 Q761 L762	D755-R758 CarbonylContact O-C 3.53Å; D755-R758 WeakPolarHBondContact O-CA 3.26Å; D755-R758 WeakPolarHBondContact O-CB 3.41Å; D755-R758 PolarHBondContact O-N 3.05Å; R756-R758 VanDerWaalsContact C-N 3.3Å; R756-R758 PolarHBondContact O-N 2.89Å; R758-Q761 PolarHBondContact O-N 2.77Å; R758-L762 HydrophobicContact CG-CD1 4.16Å; R758-L762 VanDerWaalsContact O-CG 3.27Å; R758-L762 WeakPolarHBondContact O-CG 3.46Å; R758-L762 PolarHBondContact O-N 2.79Å
759	F	97.5	Very high	96.4	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-58.9	-48.1	172.5	171.1	-90.1	0	0	0	110.7	L709 M712 L728 T729 F730 T731 L742 V751 D755 R756 Q761 L762 V763	L709-F759 HydrophobicContact CD2-CE1 4.32Å; M712-F759 HydrophobicContact CE-CB 4.31Å; M712-F759 HydrophobicContact CE-CD1 3.39Å; M712-F759 HydrophobicContact CE-CE1 4.03Å; M712-F759 HydrophobicContact CE-CG 4.14Å; M712-F759 HydrophobicContact SD-CD1 4.1Å; M712-F759 HydrophobicContact SD-CE1 4.22Å; L728-F759 HydrophobicContact CD1-CE1 4.18Å; L728-F759 HydrophobicContact CD1-CE2 4.21Å; L728-F759 HydrophobicContact CD1-CZ 3.67Å; L728-F759 HydrophobicContact CD2-CD1 4.34Å; L728-F759 HydrophobicContact CD2-CE1 4.07Å; L728-F759 HydrophobicContact CD2-CZ 4.25Å; L728-F759 HydrophobicContact CG-CE1 4.47Å; L728-F759 HydrophobicContact CG-CE2 4.36Å; L728-F759 HydrophobicContact CG-CZ 4.15Å; T729-F759 VanDerWaalsContact O-CE2 3.25Å; T729-F759 WeakPolarHBondContact O-CE2 3.32Å; F730-F759 HydrophobicContact CD1-CD2 4.19Å; F730-F759 HydrophobicContact CE1-CB 4.21Å; T731-F759 WeakPolarHBondContact O-CE2 3.5Å; L742-F759 HydrophobicContact CD1-CD2 3.57Å; L742-F759 HydrophobicContact CD1-CE2 3.43Å; L742-F759 VanDerWaalsContact CD1-CE2 3.43Å; L742-F759 HydrophobicContact CD1-CZ 4.28Å; V751-F759 HydrophobicContact CG1-CB 3.79Å; V751-F759 HydrophobicContact CG1-CD2 4.48Å; V751-F759 HydrophobicContact CG1-CG 4.13Å; V751-F759 HydrophobicContact CG2-CB 4.26Å; V751-F759 HydrophobicContact CG2-CD2 3.53Å; V751-F759 HydrophobicContact CG2-CE2 4.12Å; V751-F759 HydrophobicContact CG2-CG 4.03Å; D755-F759 PolarHBondContact O-N 2.7Å; R756-F759 WeakPolarHBondContact O-CB 3.5Å; R756-F759 PolarHBondContact O-N 3.35Å; F759-Q761 PolarHBondContact O-N 2.79Å; F759-L762 PolarHBondContact O-N 3.49Å; F759-L762 VanDerWaalsContact O-N 3.11Å; F759-V763 HydrophobicContact CD1-CG2 4.02Å; F759-V763 HydrophobicContact CD2-CG2 4.33Å; F759-V763 HydrophobicContact CE1-CG2 3.53Å; F759-V763 HydrophobicContact CE2-CG2 3.86Å; F759-V763 HydrophobicContact CG-CG2 4.41Å; F759-V763 HydrophobicContact CZ-CG2 3.44Å; F759-V763 VanDerWaalsContact CZ-CG2 3.44Å; F759-V763 WeakPolarHBondContact O-CG2 3.48Å; F759-V763 PolarHBondContact O-N 3.1Å
760	I	97.8	Very high	96.4	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-55.1	-52.2	176.8	-73.3	162.4	0	0	0	110.7	L709 M712 E713 R756 L762 V763 Q764	L709-I760 HydrophobicContact CB-CG1 4.24Å; L709-I760 HydrophobicContact CB-CG2 4.27Å; L709-I760 HydrophobicContact CD1-CG2 4.23Å; L709-I760 HydrophobicContact CD2-CG1 4.15Å; M712-I760 HydrophobicContact CB-CD1 4.1Å; M712-I760 HydrophobicContact CE-CD1 4.3Å; M712-I760 HydrophobicContact CE-CG1 4.13Å; M712-I760 HydrophobicContact CG-CD1 3.95Å; M712-I760 HydrophobicContact CG-CG1 4.48Å; M712-I760 HydrophobicContact SD-CD1 4.3Å; M712-I760 HydrophobicContact SD-CG1 4.19Å; E713-I760 HydrophobicContact CB-CD1 3.89Å; E713-I760 VanDerWaalsContact OE2-CD1 3.27Å; E713-I760 WeakPolarHBondContact OE2-CD1 3.4Å; R756-I760 WeakPolarHBondContact O-CB 3.27Å; R756-I760 WeakPolarHBondContact O-CD1 3.39Å; R756-I760 VanDerWaalsContact O-CG1 3.27Å; R756-I760 WeakPolarHBondContact O-CG1 3.36Å; R756-I760 PolarHBondContact O-N 2.84Å; I760-L762 VanDerWaalsContact C-N 3.28Å; I760-L762 PolarHBondContact O-N 2.87Å; I760-V763 PolarHBondContact O-N 3.49Å; I760-Q764 HydrophobicContact CG2-CG 4.28Å; I760-Q764 WeakPolarHBondContact O-CB 3.43Å; I760-Q764 WeakPolarHBondContact O-CG 3.4Å; I760-Q764 PolarHBondContact O-N 2.92Å
761	Q	97.9	Very high	96.5	Very high	126 Å²	126	46.3 Å²	46.3	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-58.5	-37.3	177.3	-73.4	167.6	16.3	0	0	113.2	S757 R758 F759 K765	S757-Q761 WeakPolarHBondContact O-CB 3.44Å; S757-Q761 WeakPolarHBondContact O-CG 3.43Å; S757-Q761 PolarHBondContact O-N 2.84Å; R758-Q761 PolarHBondContact O-N 2.77Å; F759-Q761 PolarHBondContact O-N 2.79Å; Q761-K765 WeakPolarHBondContact O-CB 3.4Å; Q761-K765 PolarHBondContact O-N 3.31Å
762	L	98.3	Very high	96.5	Very high	45 Å²	45	52.1 Å²	52.1	24%	0.236	27%	0.272	C	S	.	.	H	α-helix	trans	-71.6	-42	177.4	-70.6	168.7	0	0	0	112.3	F730 L742 I743 R758 F759 I760 K765 A766	F730-L762 HydrophobicContact CD1-CD1 4.18Å; F730-L762 HydrophobicContact CE1-CD1 4.29Å; L742-L762 HydrophobicContact CB-CB 4.05Å; L742-L762 HydrophobicContact CB-CD1 4.3Å; L742-L762 HydrophobicContact CD1-CB 4.2Å; L742-L762 HydrophobicContact CD2-CB 4.33Å; L742-L762 HydrophobicContact CG-CB 4.43Å; I743-L762 HydrophobicContact CG2-CD1 3.78Å; R758-L762 HydrophobicContact CG-CD1 4.16Å; R758-L762 VanDerWaalsContact O-CG 3.27Å; R758-L762 WeakPolarHBondContact O-CG 3.46Å; R758-L762 PolarHBondContact O-N 2.79Å; F759-L762 PolarHBondContact O-N 3.49Å; F759-L762 VanDerWaalsContact O-N 3.11Å; I760-L762 VanDerWaalsContact C-N 3.28Å; I760-L762 PolarHBondContact O-N 2.87Å; L762-K765 PolarHBondContact O-N 3.02Å; L762-A766 VanDerWaalsContact O-CB 3.27Å; L762-A766 WeakPolarHBondContact O-CB 3.45Å; L762-A766 PolarHBondContact O-N 2.85Å
763	V	98.4	Very high	96.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-49.7	173.4	175.4	0	0	0	0	110.3	L705 L709 L742 F759 I760 K765 A766 R767	L705-V763 HydrophobicContact CD1-CG1 4.33Å; L705-V763 HydrophobicContact CD2-CG1 4.12Å; L709-V763 HydrophobicContact CD1-CB 4Å; L709-V763 HydrophobicContact CD1-CG1 3.81Å; L742-V763 HydrophobicContact CD1-CG2 3.56Å; L742-V763 HydrophobicContact CD2-CG2 4.39Å; F759-V763 HydrophobicContact CD1-CG2 4.02Å; F759-V763 HydrophobicContact CD2-CG2 4.33Å; F759-V763 HydrophobicContact CE1-CG2 3.53Å; F759-V763 HydrophobicContact CE2-CG2 3.86Å; F759-V763 HydrophobicContact CG-CG2 4.41Å; F759-V763 HydrophobicContact CZ-CG2 3.44Å; F759-V763 VanDerWaalsContact CZ-CG2 3.44Å; F759-V763 WeakPolarHBondContact O-CG2 3.48Å; F759-V763 PolarHBondContact O-N 3.1Å; I760-V763 PolarHBondContact O-N 3.49Å; V763-K765 VanDerWaalsContact C-N 3.3Å; V763-K765 PolarHBondContact O-N 3.1Å; V763-A766 PolarHBondContact O-N 2.79Å; V763-R767 HydrophobicContact CG1-CG 3.84Å; V763-R767 WeakPolarHBondContact O-CB 3.39Å; V763-R767 VanDerWaalsContact O-CG 3.24Å; V763-R767 WeakPolarHBondContact O-CG 3.39Å; V763-R767 PolarHBondContact O-N 3.05Å
764	Q	98	Very high	96.9	Very high	55 Å²	55	52.5 Å²	52.5	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-52.7	-49.7	177.7	-72.8	178	-12.3	0	0	110.8	W694 L709 I760 L768	W694-Q764 HydrophobicContact CD2-CB 4.19Å; W694-Q764 HydrophobicContact CD2-CG 3.59Å; W694-Q764 HydrophobicContact CE3-CB 4.1Å; W694-Q764 HydrophobicContact CE3-CG 3.96Å; W694-Q764 HydrophobicContact CG-CG 3.88Å; W694-Q764 HydrophobicContact CH2-CG 4.47Å; W694-Q764 HydrophobicContact CZ2-CG 4.16Å; W694-Q764 HydrophobicContact CZ3-CB 4.5Å; W694-Q764 HydrophobicContact CZ3-CG 4.38Å; L709-Q764 HydrophobicContact CD1-CG 3.99Å; I760-Q764 HydrophobicContact CG2-CG 4.28Å; I760-Q764 WeakPolarHBondContact O-CB 3.43Å; I760-Q764 WeakPolarHBondContact O-CG 3.4Å; I760-Q764 PolarHBondContact O-N 2.92Å; Q764-L768 VanDerWaalsContact O-CB 3.26Å; Q764-L768 WeakPolarHBondContact O-CB 3.41Å; Q764-L768 WeakPolarHBondContact O-CD1 3.47Å; Q764-L768 WeakPolarHBondContact O-CG 3.38Å; Q764-L768 PolarHBondContact O-N 3.24Å
765	K	97.1	Very high	97.1	Very high	125 Å²	125	49.3 Å²	49.3	54%	0.543	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-50.8	176.6	-175.7	-178.9	174.3	-175.4	0	112.3	Q761 L762 V763 R767 L768 E769	Q761-K765 WeakPolarHBondContact O-CB 3.4Å; Q761-K765 PolarHBondContact O-N 3.31Å; L762-K765 PolarHBondContact O-N 3.02Å; V763-K765 VanDerWaalsContact C-N 3.3Å; V763-K765 PolarHBondContact O-N 3.1Å; K765-R767 VanDerWaalsContact C-N 3.34Å; K765-R767 PolarHBondContact O-N 3.08Å; K765-L768 PolarHBondContact O-N 3.27Å; K765-E769 WeakPolarHBondContact CE-OE2 3.31Å; K765-E769 HydrophobicContact CG-CG 4.42Å; K765-E769 IonicContact NZ-OE2 2.66Å; K765-E769 WeakPolarHBondContact O-CB 3.3Å; K765-E769 PolarHBondContact O-N 3.47Å
766	A	97.7	Very high	97.3	Very high	29 Å²	29	48.9 Å²	48.9	24%	0.24	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-40.9	-176	0	0	0	0	0	112.4	T732 L742 L762 V763 E770	T732-A766 HydrophobicContact CG2-CB 4.2Å; L742-A766 HydrophobicContact CD2-CB 3.76Å; L762-A766 VanDerWaalsContact O-CB 3.27Å; L762-A766 WeakPolarHBondContact O-CB 3.45Å; L762-A766 PolarHBondContact O-N 2.85Å; V763-A766 PolarHBondContact O-N 2.79Å; A766-E770 WeakPolarHBondContact O-CB 3.2Å; A766-E770 PolarHBondContact O-N 3.24Å; A766-E770 VanDerWaalsContact O-N 3.17Å
767	R	97.8	Very high	97.5	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-75.4	-35.1	178.8	-58.4	-71.9	-67.4	107.7	-5.7	112.3	W694 F698 D702 L705 V733 S735 V763 K765 E770	W694-R767 HydrophobicContact CH2-CB 4.43Å; W694-R767 HydrophobicContact CZ3-CB 4Å; F698-R767 HydrophobicContact CE1-CB 4.05Å; F698-R767 HydrophobicContact CE2-CB 4.29Å; F698-R767 HydrophobicContact CZ-CB 3.68Å; D702-R767 IonicContact OD2-NH2 2.8Å; L705-R767 HydrophobicContact CD2-CG 3.86Å; V733-R767 VanDerWaalsContact O-CD 3.26Å; V733-R767 WeakPolarHBondContact O-CD 3.49Å; V733-R767 PolarHBondContact O-NE 3.16Å; V733-R767 VanDerWaalsContact O-NE 3.14Å; S735-R767 PolarHBondContact OG-NH1 2.89Å; S735-R767 PolarHBondContact OG-NH2 3.02Å; V763-R767 HydrophobicContact CG1-CG 3.84Å; V763-R767 WeakPolarHBondContact O-CB 3.39Å; V763-R767 VanDerWaalsContact O-CG 3.24Å; V763-R767 WeakPolarHBondContact O-CG 3.39Å; V763-R767 PolarHBondContact O-N 3.05Å; K765-R767 VanDerWaalsContact C-N 3.34Å; K765-R767 PolarHBondContact O-N 3.08Å; R767-E770 IonicContact CZ-OE1 2.79Å; R767-E770 IonicContact CZ-OE2 3.35Å; R767-E770 IonicContact NH1-OE1 3.76Å; R767-E770 PolarHBondContact NH1-OE1 3.06Å; R767-E770 IonicContact NH1-OE2 3.03Å; R767-E770 PolarHBondContact NH1-OE2 3.18Å
768	L	96.6	Very high	97.6	Very high	34 Å²	34	46 Å²	46	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-71.8	-30.6	174.9	-72.1	169.9	0	0	0	113.6	F682 Q686 W694 F698 Q764 K765	F682-L768 HydrophobicContact CD2-CD2 4.5Å; F682-L768 HydrophobicContact CE2-CD2 3.6Å; F682-L768 HydrophobicContact CZ-CD2 4.2Å; Q686-L768 PolarHBondContact NE2-O 2.89Å; W694-L768 HydrophobicContact CB-CD1 4.36Å; W694-L768 HydrophobicContact CE3-CD1 4.23Å; W694-L768 HydrophobicContact CE3-CD2 4.27Å; W694-L768 HydrophobicContact CE3-CG 3.99Å; F698-L768 HydrophobicContact CB-CD2 4.31Å; F698-L768 HydrophobicContact CD2-CD2 3.86Å; F698-L768 HydrophobicContact CG-CD2 4.33Å; Q764-L768 VanDerWaalsContact O-CB 3.26Å; Q764-L768 WeakPolarHBondContact O-CB 3.41Å; Q764-L768 WeakPolarHBondContact O-CD1 3.47Å; Q764-L768 WeakPolarHBondContact O-CG 3.38Å; Q764-L768 PolarHBondContact O-N 3.24Å; K765-L768 PolarHBondContact O-N 3.27Å
769	E	95.8	Very high	97.6	Very high	75 Å²	75	42.1 Å²	42.1	35%	0.35	21%	0.212	S	C	.	.	S	Bend	trans	-97.2	1.8	180	-62.7	-161.5	116.3	0	0	114.1	K765 S771 K772	K765-E769 WeakPolarHBondContact CE-OE2 3.31Å; K765-E769 HydrophobicContact CG-CG 4.42Å; K765-E769 IonicContact NZ-OE2 2.66Å; K765-E769 WeakPolarHBondContact O-CB 3.3Å; K765-E769 PolarHBondContact O-N 3.47Å; E769-S771 PolarHBondContact O-N 3.13Å; E769-K772 HydrophobicContact CB-CD 4.35Å; E769-K772 HydrophobicContact CG-CD 4.43Å; E769-K772 WeakPolarHBondContact O-CB 3.22Å; E769-K772 PolarHBondContact O-N 2.8Å; E769-K772 IonicContact OE1-NZ 2.67Å; E769-K772 PolarHBondContact OE1-NZ 3.03Å
770	E	96.3	Very high	97.6	Very high	21 Å²	21	43.7 Å²	43.7	10%	0.098	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-43.2	-166.6	72.8	176	148.7	0	0	114.3	P650 L734 S735 A766 R767	P650-E770 HydrophobicContact CB-CB 4.15Å; P650-E770 HydrophobicContact CB-CG 4.26Å; P650-E770 WeakPolarHBondContact CB-O 3.48Å; P650-E770 HydrophobicContact CG-CG 4.47Å; L734-E770 WeakPolarHBondContact CB-OE2 3.36Å; L734-E770 HydrophobicContact CD1-CB 4.49Å; L734-E770 HydrophobicContact CD2-CB 3.97Å; S735-E770 WeakPolarHBondContact CB-OE1 3.5Å; S735-E770 PolarHBondContact N-OE2 3.35Å; S735-E770 PolarHBondContact OG-OE1 3.45Å; S735-E770 PolarHBondContact OG-OE2 3.24Å; A766-E770 WeakPolarHBondContact O-CB 3.2Å; A766-E770 PolarHBondContact O-N 3.24Å; A766-E770 VanDerWaalsContact O-N 3.17Å; R767-E770 IonicContact CZ-OE1 2.79Å; R767-E770 IonicContact CZ-OE2 3.35Å; R767-E770 IonicContact NH1-OE1 3.76Å; R767-E770 PolarHBondContact NH1-OE1 3.06Å; R767-E770 IonicContact NH1-OE2 3.03Å; R767-E770 PolarHBondContact NH1-OE2 3.18Å
771	S	96.8	Very high	97.5	Very high	8 Å²	8	43.4 Å²	43.4	6%	0.056	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	23.7	-175.5	-54.5	0	0	0	0	113	P648 E769 E773 Q774 V775	P648-S771 WeakPolarHBondContact O-CB 3.46Å; P648-S771 PolarHBondContact O-OG 3.08Å; E769-S771 PolarHBondContact O-N 3.13Å; S771-E773 VanDerWaalsContact C-N 3.3Å; S771-E773 PolarHBondContact O-N 3.14Å; S771-Q774 PolarHBondContact O-N 2.82Å; S771-Q774 PolarHBondContact O-OE1 3.1Å; S771-V775 WeakPolarHBondContact O-CG2 3.42Å; S771-V775 PolarHBondContact O-N 2.81Å
772	K	96.4	Very high	97.5	Very high	122 Å²	122	37.4 Å²	37.4	53%	0.53	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-34.5	-173.2	-174.8	176.7	-174	177	0	113.5	E769 A776	E769-K772 HydrophobicContact CB-CD 4.35Å; E769-K772 HydrophobicContact CG-CD 4.43Å; E769-K772 WeakPolarHBondContact O-CB 3.22Å; E769-K772 PolarHBondContact O-N 2.8Å; E769-K772 IonicContact OE1-NZ 2.67Å; E769-K772 PolarHBondContact OE1-NZ 3.03Å; K772-A776 VanDerWaalsContact O-CB 3.23Å; K772-A776 WeakPolarHBondContact O-CB 3.33Å; K772-A776 PolarHBondContact O-N 2.89Å
773	E	97.9	Very high	97.3	Very high	101 Å²	101	38.2 Å²	38.2	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-69.2	-39.9	177.3	-55.1	-172.5	109.3	0	0	111.5	R653 F655 S771 A776 A777	R653-E773 IonicContact CZ-OE2 2.75Å; R653-E773 IonicContact NE-OE2 3.6Å; R653-E773 PolarHBondContact NE-OE2 3.41Å; R653-E773 IonicContact NH2-OE2 3.68Å; R653-E773 PolarHBondContact NH2-OE2 3.03Å; F655-E773 HydrophobicContact CE1-CB 3.49Å; F655-E773 VanDerWaalsContact CE1-CB 3.49Å; F655-E773 HydrophobicContact CZ-CB 3.6Å; F655-E773 HydrophobicContact CZ-CG 4.39Å; S771-E773 VanDerWaalsContact C-N 3.3Å; S771-E773 PolarHBondContact O-N 3.14Å; E773-A776 PolarHBondContact O-N 2.74Å; E773-A777 PolarHBondContact O-N 2.91Å
774	Q	98.5	Very high	97.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-71	-42.9	-178.4	-63.4	74.4	10.9	0	0	110.8	P648 P650 C652 F655 Y658 S771 A777 M778	P648-Q774 HydrophobicContact CB-CB 3.89Å; P650-Q774 PolarHBondContact O-NE2 3.11Å; C652-Q774 PolarHBondContact O-NE2 3.36Å; F655-Q774 HydrophobicContact CE1-CG 4.3Å; Y658-Q774 HydrophobicContact CD1-CB 4.31Å; Y658-Q774 HydrophobicContact CD2-CB 4.2Å; Y658-Q774 HydrophobicContact CD2-CG 4.07Å; Y658-Q774 HydrophobicContact CE1-CB 3.97Å; Y658-Q774 HydrophobicContact CE1-CG 4.27Å; Y658-Q774 HydrophobicContact CE2-CB 3.83Å; Y658-Q774 HydrophobicContact CE2-CG 3.36Å; Y658-Q774 HydrophobicContact CG-CB 4.4Å; Y658-Q774 VanDerWaalsContact CZ-CG 3.45Å; Y658-Q774 WeakPolarHBondContact OH-CG 3.49Å; S771-Q774 PolarHBondContact O-N 2.82Å; S771-Q774 PolarHBondContact O-OE1 3.1Å; Q774-A777 PolarHBondContact O-N 3.21Å; Q774-M778 PolarHBondContact O-N 2.88Å
775	V	98.1	Very high	97	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-38.8	173.9	178.2	0	0	0	0	111.5	P648 V683 Q686 L687 S771 A777 M778 Q779	P648-V775 HydrophobicContact CG-CG2 3.92Å; V683-V775 HydrophobicContact CG1-CG2 4.43Å; Q686-V775 HydrophobicContact CB-CG1 3.74Å; L687-V775 HydrophobicContact CD2-CG1 3.9Å; L687-V775 HydrophobicContact CG-CG1 4.11Å; S771-V775 WeakPolarHBondContact O-CG2 3.42Å; S771-V775 PolarHBondContact O-N 2.81Å; V775-A777 VanDerWaalsContact C-N 3.33Å; V775-A777 PolarHBondContact O-N 2.9Å; V775-M778 HydrophobicContact CB-CE 4.38Å; V775-M778 HydrophobicContact CG2-CE 3.94Å; V775-M778 PolarHBondContact O-N 2.83Å; V775-Q779 WeakPolarHBondContact O-CB 3.38Å; V775-Q779 PolarHBondContact O-N 2.99Å
776	A	97.9	Very high	96.8	Very high	51 Å²	51	34.7 Å²	34.7	42%	0.421	19%	0.185	S	C	.	.	H	α-helix	trans	-62.8	-38.2	173.4	0	0	0	0	0	112.4	K772 E773 Q779 A780	K772-A776 VanDerWaalsContact O-CB 3.23Å; K772-A776 WeakPolarHBondContact O-CB 3.33Å; K772-A776 PolarHBondContact O-N 2.89Å; E773-A776 PolarHBondContact O-N 2.74Å; A776-Q779 PolarHBondContact O-N 3.23Å; A776-A780 WeakPolarHBondContact O-CB 3.44Å; A776-A780 PolarHBondContact O-N 3.39Å
777	A	98.6	Very high	96.5	Very high	12 Å²	12	33.8 Å²	33.8	10%	0.099	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-46.9	174.3	0	0	0	0	0	112.1	F655 E659 E773 Q774 V775 Q779 A780 G781	F655-A777 HydrophobicContact CB-CB 4.08Å; F655-A777 HydrophobicContact CD1-CB 4.02Å; F655-A777 HydrophobicContact CG-CB 4.48Å; E659-A777 WeakPolarHBondContact CA-O 3.23Å; E773-A777 PolarHBondContact O-N 2.91Å; Q774-A777 PolarHBondContact O-N 3.21Å; V775-A777 VanDerWaalsContact C-N 3.33Å; V775-A777 PolarHBondContact O-N 2.9Å; A777-Q779 VanDerWaalsContact C-N 3.34Å; A777-Q779 PolarHBondContact O-N 3.35Å; A777-A780 PolarHBondContact O-N 3.38Å; A777-G781 PolarHBondContact O-N 2.99Å
778	M	98.6	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-41.6	173.4	-69.8	-173.4	-63.3	0	0	112.2	F629 P648 Y658 I661 G662 L687 Q774 V775 G781 L782	F629-M778 HydrophobicContact CE1-SD 4.44Å; F629-M778 HydrophobicContact CZ-SD 4.16Å; P648-M778 HydrophobicContact CB-CE 4.13Å; P648-M778 HydrophobicContact CG-CE 3.49Å; P648-M778 VanDerWaalsContact CG-CE 3.49Å; Y658-M778 HydrophobicContact CD1-CG 3.97Å; Y658-M778 HydrophobicContact CD1-SD 4.16Å; Y658-M778 HydrophobicContact CG-CG 4.48Å; Y658-M778 WeakPolarHBondContact O-CA 3.25Å; Y658-M778 WeakPolarHBondContact O-CG 3.43Å; I661-M778 HydrophobicContact CG2-SD 4.21Å; G662-M778 VanDerWaalsContact CA-O 3.23Å; G662-M778 WeakPolarHBondContact CA-O 3.39Å; L687-M778 HydrophobicContact CD2-CB 3.8Å; L687-M778 HydrophobicContact CD2-CE 4.36Å; Q774-M778 PolarHBondContact O-N 2.88Å; V775-M778 HydrophobicContact CB-CE 4.38Å; V775-M778 HydrophobicContact CG2-CE 3.94Å; V775-M778 PolarHBondContact O-N 2.83Å; M778-G781 PolarHBondContact O-N 2.75Å; M778-L782 WeakPolarHBondContact O-CB 3.45Å; M778-L782 PolarHBondContact O-N 2.72Å
779	Q	97.3	Very high	95.7	Very high	55 Å²	55	34.1 Å²	34.1	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-66.5	-39.3	177.8	-174.1	173.6	72.9	0	0	112.2	Q686 L687 V775 A776 A777 G781 L782 L783	Q686-Q779 PolarHBondContact O-NE2 3.4Å; L687-Q779 HydrophobicContact CD2-CB 4.31Å; L687-Q779 PolarHBondContact O-NE2 2.96Å; V775-Q779 WeakPolarHBondContact O-CB 3.38Å; V775-Q779 PolarHBondContact O-N 2.99Å; A776-Q779 PolarHBondContact O-N 3.23Å; A777-Q779 VanDerWaalsContact C-N 3.34Å; A777-Q779 PolarHBondContact O-N 3.35Å; Q779-G781 VanDerWaalsContact C-N 3.31Å; Q779-G781 PolarHBondContact O-N 3.45Å; Q779-L782 PolarHBondContact O-N 2.97Å; Q779-L783 HydrophobicContact CG-CD1 4.1Å; Q779-L783 WeakPolarHBondContact O-CB 3.33Å; Q779-L783 VanDerWaalsContact O-CG 3.3Å; Q779-L783 WeakPolarHBondContact O-CG 3.35Å; Q779-L783 PolarHBondContact O-N 2.71Å
780	A	97.2	Very high	95.5	Very high	41 Å²	41	30.6 Å²	30.6	34%	0.339	16%	0.161	S	C	.	.	H	α-helix	trans	-61.8	-39.9	172.9	0	0	0	0	0	111.9	A776 A777 L783 K784	A776-A780 WeakPolarHBondContact O-CB 3.44Å; A776-A780 PolarHBondContact O-N 3.39Å; A777-A780 PolarHBondContact O-N 3.38Å; A780-L783 PolarHBondContact O-N 3.47Å; A780-K784 WeakPolarHBondContact O-CG 3.19Å; A780-K784 PolarHBondContact O-N 2.85Å; A780-K784 VanDerWaalsContact O-N 3.08Å
781	G	97.2	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-45.6	174.5	0	0	0	0	0	113.2	E659 G662 Q663 A777 M778 Q779 L783 K784	E659-G781 VanDerWaalsContact CG-CA 3.47Å; E659-G781 WeakPolarHBondContact O-CA 3.47Å; G662-G781 VanDerWaalsContact C-C 3.42Å; Q663-G781 WeakPolarHBondContact CG-O 3.2Å; A777-G781 PolarHBondContact O-N 2.99Å; M778-G781 PolarHBondContact O-N 2.75Å; Q779-G781 VanDerWaalsContact C-N 3.31Å; Q779-G781 PolarHBondContact O-N 3.45Å; G781-L783 VanDerWaalsContact C-N 3.33Å; G781-L783 PolarHBondContact O-N 3.11Å; G781-K784 WeakPolarHBondContact O-CB 3.45Å; G781-K784 PolarHBondContact O-N 2.78Å
782	L	96.6	Very high	94.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-43.9	174.9	179.7	58.3	0	0	0	110.9	G662 M665 G666 M778 Q779 K784 V785 V786 L791 L799	G662-L782 VanDerWaalsContact C-N 3.34Å; G662-L782 VanDerWaalsContact O-CA 3.26Å; G662-L782 WeakPolarHBondContact O-CA 3.21Å; G662-L782 PolarHBondContact O-N 2.64Å; M665-L782 HydrophobicContact CB-CD1 4.32Å; G666-L782 VanDerWaalsContact CA-CD1 3.47Å; M778-L782 WeakPolarHBondContact O-CB 3.45Å; M778-L782 PolarHBondContact O-N 2.72Å; Q779-L782 PolarHBondContact O-N 2.97Å; L782-K784 VanDerWaalsContact C-N 3.29Å; L782-K784 PolarHBondContact O-N 3.3Å; L782-V785 PolarHBondContact O-N 2.86Å; L782-V786 HydrophobicContact CD1-CB 4.18Å; L782-V786 HydrophobicContact CD1-CG2 3.92Å; L782-V786 PolarHBondContact O-N 2.89Å; L782-L791 HydrophobicContact CD1-CD2 4.49Å; L782-L791 HydrophobicContact CD2-CD1 3.82Å; L782-L791 HydrophobicContact CD2-CD2 3.78Å; L782-L791 HydrophobicContact CD2-CG 4.48Å; L782-L791 HydrophobicContact CG-CD1 4.02Å; L782-L791 HydrophobicContact CG-CD2 4.06Å; L782-L799 HydrophobicContact CD2-CD1 4.25Å; L782-L799 HydrophobicContact CD2-CD2 4.43Å
783	L	94.4	Very high	94.5	Very high	61 Å²	61	23.5 Å²	23.5	32%	0.319	13%	0.129	S	C	.	.	H	α-helix	trans	-69.3	-18.5	177.8	-74	171	0	0	0	114.5	Q779 A780 G781 V785 V786 Q788 L791	Q779-L783 HydrophobicContact CG-CD1 4.1Å; Q779-L783 WeakPolarHBondContact O-CB 3.33Å; Q779-L783 VanDerWaalsContact O-CG 3.3Å; Q779-L783 WeakPolarHBondContact O-CG 3.35Å; Q779-L783 PolarHBondContact O-N 2.71Å; A780-L783 PolarHBondContact O-N 3.47Å; G781-L783 VanDerWaalsContact C-N 3.33Å; G781-L783 PolarHBondContact O-N 3.11Å; L783-V785 PolarHBondContact O-N 2.81Å; L783-V786 WeakPolarHBondContact CA-O 3.41Å; L783-Q788 HydrophobicContact CD2-CB 3.99Å; L783-L791 HydrophobicContact CD2-CD1 3.63Å; L783-L791 HydrophobicContact CD2-CG 4.33Å; L783-L791 HydrophobicContact CG-CD1 4.01Å
784	K	94.6	Very high	94.2	Very high	105 Å²	105	19 Å²	19	46%	0.457	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.9	168.5	-76.4	173.4	171.3	176.9	0	113	E659 Q663 A780 G781 L782	E659-K784 WeakPolarHBondContact OE1-CE 3.43Å; E659-K784 IonicContact OE1-NZ 3.2Å; E659-K784 PolarHBondContact OE1-NZ 3.49Å; E659-K784 IonicContact OE2-NZ 2.95Å; E659-K784 PolarHBondContact OE2-NZ 3.11Å; Q663-K784 HydrophobicContact CG-CB 4.46Å; A780-K784 WeakPolarHBondContact O-CG 3.19Å; A780-K784 PolarHBondContact O-N 2.85Å; A780-K784 VanDerWaalsContact O-N 3.08Å; G781-K784 WeakPolarHBondContact O-CB 3.45Å; G781-K784 PolarHBondContact O-N 2.78Å; L782-K784 VanDerWaalsContact C-N 3.29Å; L782-K784 PolarHBondContact O-N 3.3Å
785	V	95.1	Very high	93.9	Very high	3 Å²	3	19 Å²	19	2%	0.018	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-31.9	-175.4	-173.3	0	0	0	0	112.6	Y578 R579 Q663 G666 R670 L782 L783	Y578-V785 HydrophobicContact CD2-CG2 4.42Å; R579-V785 HydrophobicContact CG-CB 4.42Å; R579-V785 HydrophobicContact CG-CG1 4.05Å; R579-V785 WeakPolarHBondContact CG-O 3.4Å; Q663-V785 HydrophobicContact CB-CG2 4.05Å; Q663-V785 HydrophobicContact CG-CG2 4.13Å; G666-V785 VanDerWaalsContact C-CG1 3.47Å; R670-V785 VanDerWaalsContact CZ-O 3.3Å; R670-V785 PolarHBondContact NE-O 3.49Å; R670-V785 PolarHBondContact NH2-O 2.81Å; L782-V785 PolarHBondContact O-N 2.86Å; L783-V785 PolarHBondContact O-N 2.81Å
786	V	93.9	Very high	93.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-121.8	124.5	-175.1	178.7	0	0	0	0	109.2	L520 G666 L669 L782 L783 V790 L791	L520-V786 HydrophobicContact CD2-CG1 4.38Å; G666-V786 VanDerWaalsContact CA-CG2 3.49Å; L669-V786 HydrophobicContact CB-CG2 4.26Å; L669-V786 HydrophobicContact CD1-CG1 4.32Å; L669-V786 HydrophobicContact CD1-CG2 4.35Å; L669-V786 HydrophobicContact CD2-CG1 3.94Å; L669-V786 HydrophobicContact CD2-CG2 3.82Å; L669-V786 HydrophobicContact CG-CG2 4.36Å; L782-V786 HydrophobicContact CD1-CB 4.18Å; L782-V786 HydrophobicContact CD1-CG2 3.92Å; L782-V786 PolarHBondContact O-N 2.89Å; L783-V786 WeakPolarHBondContact CA-O 3.41Å; V786-V790 HydrophobicContact CG1-CB 3.7Å; V786-V790 HydrophobicContact CG1-CG1 3.58Å; V786-L791 HydrophobicContact CB-CD2 4.47Å; V786-L791 HydrophobicContact CG1-CD2 3.81Å; V786-L791 HydrophobicContact CG1-CG 4.26Å
787	P	91.3	Very high	93.2	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.058	10%	0.104	C	C	.	.			trans	-57.3	149.1	179.4	-28.3	35.9	0	0	0	114.4	H491 S523 A789 V790 L791	H491-P787 HydrophobicContact CB-CB 3.78Å; H491-P787 HydrophobicContact CB-CG 4.24Å; S523-P787 WeakPolarHBondContact OG-CG 3.15Å; P787-A789 HydrophobicContact CB-CB 4.46Å; P787-A789 PolarHBondContact O-N 3.45Å; P787-V790 HydrophobicContact CB-CG2 4.24Å; P787-V790 HydrophobicContact CG-CG2 4.29Å; P787-V790 WeakPolarHBondContact O-CB 3.34Å; P787-V790 PolarHBondContact O-N 2.92Å; P787-L791 PolarHBondContact O-N 3.35Å
788	Q	89.8	Confident	92.9	Very high	44 Å²	44	21.2 Å²	21.2	21%	0.206	11%	0.106	C	C	.	.	H	α-helix	trans	-54.6	-41.4	173.1	-179.3	56.9	60.5	0	0	111.3	L783 V790 L791 D792	L783-Q788 HydrophobicContact CD2-CB 3.99Å; Q788-V790 PolarHBondContact O-N 3.19Å; Q788-L791 PolarHBondContact O-N 3.27Å; Q788-L791 VanDerWaalsContact O-N 3.16Å; Q788-D792 PolarHBondContact NE2-OD1 3.17Å; Q788-D792 PolarHBondContact NE2-OD2 2.81Å; Q788-D792 PolarHBondContact O-N 3.34Å
789	A	88.1	Confident	92.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-52.8	-36.6	172.7	0	0	0	0	0	114.1	V486 H491 P787 L793	V486-A789 HydrophobicContact CG1-CB 3.54Å; H491-A789 HydrophobicContact CB-CB 4.08Å; H491-A789 PolarHBondContact O-N 3.37Å; P787-A789 HydrophobicContact CB-CB 4.46Å; P787-A789 PolarHBondContact O-N 3.45Å; A789-L793 WeakPolarHBondContact O-CB 3.33Å; A789-L793 VanDerWaalsContact O-CG 3.26Å; A789-L793 WeakPolarHBondContact O-CG 3.5Å; A789-L793 PolarHBondContact O-N 2.69Å
790	V	91.1	Very high	92.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-76	-40.8	178.9	173	0	0	0	0	110.9	V516 C519 L520 L669 V786 P787 Q788 D792 L793 L794	V516-V790 HydrophobicContact CG1-CG1 4.07Å; C519-V790 HydrophobicContact CB-CG2 3.55Å; L520-V790 HydrophobicContact CD2-CG1 4.26Å; L520-V790 HydrophobicContact CD2-CG2 4.08Å; L520-V790 HydrophobicContact CG-CG1 4.42Å; L520-V790 HydrophobicContact CG-CG2 4.01Å; L669-V790 HydrophobicContact CD2-CG1 4.21Å; V786-V790 HydrophobicContact CG1-CB 3.7Å; V786-V790 HydrophobicContact CG1-CG1 3.58Å; P787-V790 HydrophobicContact CB-CG2 4.24Å; P787-V790 HydrophobicContact CG-CG2 4.29Å; P787-V790 WeakPolarHBondContact O-CB 3.34Å; P787-V790 PolarHBondContact O-N 2.92Å; Q788-V790 PolarHBondContact O-N 3.19Å; V790-D792 VanDerWaalsContact C-N 3.29Å; V790-D792 PolarHBondContact O-N 2.69Å; V790-L793 PolarHBondContact O-N 2.88Å; V790-L794 HydrophobicContact CG1-CD1 3.71Å; V790-L794 HydrophobicContact CG1-CG 4.36Å; V790-L794 WeakPolarHBondContact O-CG 3.3Å; V790-L794 PolarHBondContact O-N 3.01Å
791	L	90.4	Very high	92.3	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-33.7	174.8	-59.9	-169.6	0	0	0	111.9	K503 L782 L783 V786 P787 Q788 L793 L799	K503-L791 VanDerWaalsContact CE-O 3.22Å; K503-L791 WeakPolarHBondContact CE-O 3.5Å; K503-L791 PolarHBondContact NZ-O 2.72Å; L782-L791 HydrophobicContact CD1-CD2 4.49Å; L782-L791 HydrophobicContact CD2-CD1 3.82Å; L782-L791 HydrophobicContact CD2-CD2 3.78Å; L782-L791 HydrophobicContact CD2-CG 4.48Å; L782-L791 HydrophobicContact CG-CD1 4.02Å; L782-L791 HydrophobicContact CG-CD2 4.06Å; L783-L791 HydrophobicContact CD2-CD1 3.63Å; L783-L791 HydrophobicContact CD2-CG 4.33Å; L783-L791 HydrophobicContact CG-CD1 4.01Å; V786-L791 HydrophobicContact CB-CD2 4.47Å; V786-L791 HydrophobicContact CG1-CD2 3.81Å; V786-L791 HydrophobicContact CG1-CG 4.26Å; P787-L791 PolarHBondContact O-N 3.35Å; Q788-L791 PolarHBondContact O-N 3.27Å; Q788-L791 VanDerWaalsContact O-N 3.16Å; L791-L793 VanDerWaalsContact C-N 3.33Å; L791-L799 HydrophobicContact CD2-CD1 4.3Å
792	D	87.7	Confident	92.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-71.7	-24.7	175.7	-74.6	-37.1	0	0	0	113.5	T495 K500 K503 Q788 V790	T495-D792 HydrophobicContact CG2-CB 3.92Å; T495-D792 WeakPolarHBondContact OG1-CB 3.21Å; T495-D792 PolarHBondContact OG1-OD2 2.97Å; K500-D792 WeakPolarHBondContact CE-OD1 3.1Å; K500-D792 IonicContact NZ-OD1 3.22Å; K500-D792 PolarHBondContact NZ-OD1 2.68Å; K500-D792 IonicContact NZ-OD2 2.76Å; K503-D792 WeakPolarHBondContact CE-O 3.49Å; Q788-D792 PolarHBondContact NE2-OD1 3.17Å; Q788-D792 PolarHBondContact NE2-OD2 2.81Å; Q788-D792 PolarHBondContact O-N 3.34Å; V790-D792 VanDerWaalsContact C-N 3.29Å; V790-D792 PolarHBondContact O-N 2.69Å
793	L	89.9	Confident	92	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-91.9	-11.1	178.3	-73.3	175	0	0	0	115.2	L482 V486 L506 R512 L515 V516 A789 V790 L791	L482-L793 HydrophobicContact CD1-CD2 3.99Å; L482-L793 HydrophobicContact CD2-CD2 4.17Å; L482-L793 HydrophobicContact CG-CD2 4.27Å; V486-L793 HydrophobicContact CB-CD1 4.43Å; V486-L793 HydrophobicContact CB-CD2 4.46Å; V486-L793 HydrophobicContact CG1-CD1 3.85Å; V486-L793 HydrophobicContact CG1-CG 4.09Å; V486-L793 HydrophobicContact CG2-CD2 3.94Å; V486-L793 HydrophobicContact CG2-CG 4.26Å; L506-L793 HydrophobicContact CD1-CD2 4.45Å; R512-L793 VanDerWaalsContact CD-O 3.31Å; R512-L793 WeakPolarHBondContact CD-O 3.21Å; R512-L793 HydrophobicContact CG-CB 4.27Å; R512-L793 HydrophobicContact CG-CD2 4.23Å; R512-L793 PolarHBondContact NH1-O 2.87Å; L515-L793 HydrophobicContact CB-CD1 3.78Å; V516-L793 HydrophobicContact CG2-CB 3.59Å; V516-L793 HydrophobicContact CG2-CD1 3.91Å; V516-L793 HydrophobicContact CG2-CG 4.42Å; A789-L793 WeakPolarHBondContact O-CB 3.33Å; A789-L793 VanDerWaalsContact O-CG 3.26Å; A789-L793 WeakPolarHBondContact O-CG 3.5Å; A789-L793 PolarHBondContact O-N 2.69Å; V790-L793 PolarHBondContact O-N 2.88Å; L791-L793 VanDerWaalsContact C-N 3.33Å
794	L	91.4	Very high	91.9	Very high	5 Å²	5	23 Å²	23	3%	0.026	10%	0.103	C	C	.	.	S	Bend	trans	-106.2	133.9	179.7	-68	172.4	0	0	0	111.4	K503 V516 L669 V790 E798 K802	K503-L794 WeakPolarHBondContact CE-O 3.45Å; K503-L794 PolarHBondContact NZ-O 3.32Å; V516-L794 HydrophobicContact CG1-CD2 4.5Å; V516-L794 HydrophobicContact CG2-CD2 4.37Å; V516-L794 HydrophobicContact CG2-CG 4.49Å; L669-L794 HydrophobicContact CD1-CD1 3.91Å; V790-L794 HydrophobicContact CG1-CD1 3.71Å; V790-L794 HydrophobicContact CG1-CG 4.36Å; V790-L794 WeakPolarHBondContact O-CG 3.3Å; V790-L794 PolarHBondContact O-N 3.01Å; L794-E798 HydrophobicContact CB-CB 4.44Å; L794-E798 HydrophobicContact CD2-CB 4.1Å; L794-K802 HydrophobicContact CD1-CD 3.9Å; L794-K802 HydrophobicContact CD2-CD 4.08Å
795	T	92.1	Very high	91.7	Very high	1 Å²	1	18 Å²	18	1%	0.006	8%	0.081	C	C	.	.			trans	-72.2	160.8	169.5	79.6	0	0	0	0	110.9	L507 Q797 E798 L799	L507-T795 HydrophobicContact CD1-CG2 4.25Å; L507-T795 HydrophobicContact CD2-CG2 3.86Å; L507-T795 HydrophobicContact CG-CG2 3.88Å; T795-Q797 PolarHBondContact O-N 2.91Å; T795-Q797 PolarHBondContact OG1-OE1 2.87Å; T795-E798 PolarHBondContact N-OE2 2.82Å; T795-E798 PolarHBondContact O-N 3.17Å; T795-E798 PolarHBondContact OG1-N 3.04Å; T795-L799 PolarHBondContact O-N 3.4Å
796	W	92.3	Very high	91.2	Very high	52 Å²	52	20.6 Å²	20.6	20%	0.197	10%	0.095	C	C	.	.	H	α-helix	trans	-57	-34.7	177.8	75.6	-96.2	0	0	0	112.9	W684 K685 E690 E798 L799 E800	W684-W796 HydrophobicContact CB-CB 3.94Å; W684-W796 HydrophobicContact CB-CD2 4.26Å; W684-W796 HydrophobicContact CB-CE3 3.62Å; W684-W796 HydrophobicContact CB-CG 4.44Å; W684-W796 HydrophobicContact CG-CE3 4.16Å; K685-W796 HydrophobicContact CG-CB 4.07Å; K685-W796 VanDerWaalsContact CG-CD1 3.46Å; K685-W796 HydrophobicContact CG-CD2 4.36Å; K685-W796 HydrophobicContact CG-CG 3.7Å; E690-W796 WeakPolarHBondContact OE1-CB 3.18Å; E690-W796 PolarHBondContact OE1-N 3.49Å; W796-E798 VanDerWaalsContact C-N 3.35Å; W796-L799 PolarHBondContact O-N 3.39Å; W796-E800 PolarHBondContact O-N 3.45Å
797	Q	90.5	Very high	90.5	Very high	39 Å²	39	22.9 Å²	22.9	18%	0.182	11%	0.11	C	C	.	.	H	α-helix	trans	-66.4	-36.6	175.9	-54	92.7	-32.2	0	0	111.9	T795 K801	T795-Q797 PolarHBondContact O-N 2.91Å; T795-Q797 PolarHBondContact OG1-OE1 2.87Å; Q797-K801 WeakPolarHBondContact O-CB 3.12Å; Q797-K801 WeakPolarHBondContact O-CD 3.32Å; Q797-K801 VanDerWaalsContact O-CG 3.23Å; Q797-K801 WeakPolarHBondContact O-CG 3.22Å; Q797-K801 PolarHBondContact O-N 3.07Å
798	E	91.6	Very high	90.1	Very high	27 Å²	27	27.4 Å²	27.4	13%	0.126	13%	0.13	C	C	.	.	H	α-helix	trans	-77	-32.3	176.7	-63.4	177.2	122	0	0	112.1	L507 R512 L794 T795 W796 K801 K802	L507-E798 HydrophobicContact CD2-CG 4.19Å; R512-E798 IonicContact CZ-OE1 2.84Å; R512-E798 IonicContact CZ-OE2 2.81Å; R512-E798 VanDerWaalsContact NH1-CD 3.27Å; R512-E798 IonicContact NH1-OE1 3.87Å; R512-E798 PolarHBondContact NH1-OE1 3.39Å; R512-E798 IonicContact NH1-OE2 2.78Å; R512-E798 PolarHBondContact NH1-OE2 2.87Å; R512-E798 IonicContact NH2-OE1 3.71Å; R512-E798 PolarHBondContact NH2-OE1 3.24Å; R512-E798 IonicContact NH2-OE2 3.67Å; L794-E798 HydrophobicContact CB-CB 4.44Å; L794-E798 HydrophobicContact CD2-CB 4.1Å; T795-E798 PolarHBondContact N-OE2 2.82Å; T795-E798 PolarHBondContact O-N 3.17Å; T795-E798 PolarHBondContact OG1-N 3.04Å; W796-E798 VanDerWaalsContact C-N 3.35Å; E798-K801 PolarHBondContact O-N 3.1Å; E798-K802 VanDerWaalsContact O-CB 3.27Å; E798-K802 WeakPolarHBondContact O-CB 3.16Å; E798-K802 WeakPolarHBondContact O-CG 3.19Å; E798-K802 PolarHBondContact O-N 2.82Å
799	L	94.8	Very high	89.9	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-48.9	170.2	178.6	58.1	0	0	0	110.3	L669 W684 L687 L782 L791 T795 W796 K802 V803	L669-L799 HydrophobicContact CD1-CD1 3.67Å; W684-L799 HydrophobicContact CE3-CD2 4.37Å; W684-L799 HydrophobicContact CE3-CG 4.08Å; W684-L799 HydrophobicContact CZ3-CG 4.26Å; L687-L799 HydrophobicContact CB-CD2 4.17Å; L782-L799 HydrophobicContact CD2-CD1 4.25Å; L782-L799 HydrophobicContact CD2-CD2 4.43Å; L791-L799 HydrophobicContact CD2-CD1 4.3Å; T795-L799 PolarHBondContact O-N 3.4Å; W796-L799 PolarHBondContact O-N 3.39Å; L799-K802 PolarHBondContact O-N 3.39Å; L799-V803 HydrophobicContact CD1-CG2 4.01Å; L799-V803 WeakPolarHBondContact O-CB 3.44Å; L799-V803 VanDerWaalsContact O-CG2 3.24Å; L799-V803 WeakPolarHBondContact O-CG2 3.17Å; L799-V803 PolarHBondContact O-N 3.39Å
800	E	94.3	Very high	89.9	Confident	24 Å²	24	27.2 Å²	27.2	11%	0.112	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-53.7	172.4	-174.4	-163.9	164.6	0	0	110.7	W684 W796 K802 V803 C804 R857	W684-E800 HydrophobicContact CD2-CB 3.89Å; W684-E800 HydrophobicContact CD2-CG 4.27Å; W684-E800 HydrophobicContact CE3-CB 4.2Å; W684-E800 HydrophobicContact CG-CB 4.31Å; W684-E800 HydrophobicContact CH2-CB 4.45Å; W684-E800 HydrophobicContact CH2-CG 4.35Å; W684-E800 HydrophobicContact CZ2-CB 4.17Å; W684-E800 HydrophobicContact CZ2-CG 3.76Å; W684-E800 HydrophobicContact CZ3-CB 4.45Å; W796-E800 PolarHBondContact O-N 3.45Å; E800-K802 VanDerWaalsContact C-N 3.26Å; E800-K802 PolarHBondContact O-N 3.2Å; E800-V803 PolarHBondContact O-N 3.18Å; E800-V803 VanDerWaalsContact O-N 3.09Å; E800-C804 HydrophobicContact CG-CB 4.35Å; E800-C804 WeakPolarHBondContact O-CB 3.23Å; E800-C804 PolarHBondContact O-N 3.12Å; E800-R857 IonicContact OE1-CZ 2.69Å; E800-R857 IonicContact OE1-NH1 3.78Å; E800-R857 PolarHBondContact OE1-NH1 3.14Å; E800-R857 IonicContact OE1-NH2 3.54Å; E800-R857 PolarHBondContact OE1-NH2 3.01Å
801	K	91.4	Very high	89.7	Confident	93 Å²	93	27.8 Å²	27.8	40%	0.404	14%	0.135	S	C	.	.	H	α-helix	trans	-62.2	-30.1	-176.6	-73.7	169.1	-178.9	-111.9	0	113.5	Q797 E798 G805 D806	Q797-K801 WeakPolarHBondContact O-CB 3.12Å; Q797-K801 WeakPolarHBondContact O-CD 3.32Å; Q797-K801 VanDerWaalsContact O-CG 3.23Å; Q797-K801 WeakPolarHBondContact O-CG 3.22Å; Q797-K801 PolarHBondContact O-N 3.07Å; E798-K801 PolarHBondContact O-N 3.1Å; K801-G805 WeakPolarHBondContact O-CA 3.23Å; K801-G805 PolarHBondContact O-N 2.77Å; K801-D806 WeakPolarHBondContact CD-OD1 3.46Å; K801-D806 WeakPolarHBondContact CE-OD1 3.32Å; K801-D806 IonicContact NZ-OD1 3.4Å; K801-D806 PolarHBondContact NZ-OD1 2.89Å
802	K	92.2	Very high	89.4	Confident	75 Å²	75	32.5 Å²	32.5	33%	0.326	16%	0.161	S	C	.	.	H	α-helix	trans	-79.7	-27.5	174.9	-78	177.9	164.3	-67.7	0	113.7	A668 L669 L794 E798 L799 E800	A668-K802 CarbonylContact C-O 3.59Å; L669-K802 HydrophobicContact CB-CB 4.46Å; L669-K802 HydrophobicContact CD1-CB 4.38Å; L669-K802 HydrophobicContact CG-CB 4.03Å; L669-K802 HydrophobicContact CG-CD 4.2Å; L794-K802 HydrophobicContact CD1-CD 3.9Å; L794-K802 HydrophobicContact CD2-CD 4.08Å; E798-K802 VanDerWaalsContact O-CB 3.27Å; E798-K802 WeakPolarHBondContact O-CB 3.16Å; E798-K802 WeakPolarHBondContact O-CG 3.19Å; E798-K802 PolarHBondContact O-N 2.82Å; L799-K802 PolarHBondContact O-N 3.39Å; E800-K802 VanDerWaalsContact C-N 3.26Å; E800-K802 PolarHBondContact O-N 3.2Å
803	V	94.7	Very high	89.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-87.2	-46.4	178.9	172.5	0	0	0	0	111.7	M665 A668 F674 L675 W684 L799 E800	M665-V803 HydrophobicContact CB-CG1 3.88Å; M665-V803 HydrophobicContact CB-CG2 4.01Å; M665-V803 HydrophobicContact CE-CG1 4.12Å; M665-V803 HydrophobicContact CG-CG1 3.79Å; A668-V803 WeakPolarHBondContact CB-O 3.29Å; F674-V803 CarbonylContact C-O 3.59Å; F674-V803 VanDerWaalsContact CA-O 3.32Å; F674-V803 WeakPolarHBondContact CA-O 3.06Å; L675-V803 HydrophobicContact CB-CG1 4.4Å; L675-V803 PolarHBondContact N-O 3.5Å; W684-V803 HydrophobicContact CH2-CB 4.08Å; W684-V803 HydrophobicContact CH2-CG1 3.96Å; W684-V803 HydrophobicContact CZ3-CB 4.18Å; W684-V803 HydrophobicContact CZ3-CG1 4.34Å; W684-V803 HydrophobicContact CZ3-CG2 4.28Å; L799-V803 HydrophobicContact CD1-CG2 4.01Å; L799-V803 WeakPolarHBondContact O-CB 3.44Å; L799-V803 VanDerWaalsContact O-CG2 3.24Å; L799-V803 WeakPolarHBondContact O-CG2 3.17Å; L799-V803 PolarHBondContact O-N 3.39Å; E800-V803 PolarHBondContact O-N 3.18Å; E800-V803 VanDerWaalsContact O-N 3.09Å
804	C	92.6	Very high	89	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-103.1	-20.4	-171.7	-59.6	0	0	0	0	113.7	F674 L675 L677 W684 E800 R857	F674-C804 WeakPolarHBondContact CB-O 3.49Å; F674-C804 WeakPolarHBondContact CG-O 3.42Å; L675-C804 PolarHBondContact O-SG 3.16Å; L677-C804 PolarHBondContact N-SG 2.92Å; L677-C804 VanDerWaalsContact N-SG 3.4Å; W684-C804 VanDerWaalsContact CH2-SG 3.6Å; E800-C804 HydrophobicContact CG-CB 4.35Å; E800-C804 WeakPolarHBondContact O-CB 3.23Å; E800-C804 PolarHBondContact O-N 3.12Å; C804-R857 WeakPolarHBondContact O-CB 3.23Å; C804-R857 WeakPolarHBondContact O-CD 3.47Å
805	G	90.1	Very high	88.8	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.01	19%	0.186	C	C	.	.			trans	83.7	173.4	-163.5	0	0	0	0	0	112.9	K801 R857 L858	K801-G805 WeakPolarHBondContact O-CA 3.23Å; K801-G805 PolarHBondContact O-N 2.77Å; G805-R857 WeakPolarHBondContact O-CD 3.34Å; G805-R857 PolarHBondContact O-NH1 3.21Å; G805-L858 CarbonylContact C-O 3.51Å; G805-L858 VanDerWaalsContact CA-O 3.25Å; G805-L858 WeakPolarHBondContact CA-O 3.16Å
806	D	86	Confident	88.3	Confident	56 Å²	56	45 Å²	45	30%	0.299	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-67	123.6	-179.9	-85.8	-56.8	0	0	0	112.1	K801 R857 L858	K801-D806 WeakPolarHBondContact CD-OD1 3.46Å; K801-D806 WeakPolarHBondContact CE-OD1 3.32Å; K801-D806 IonicContact NZ-OD1 3.4Å; K801-D806 PolarHBondContact NZ-OD1 2.89Å; D806-R857 WeakPolarHBondContact O-CB 3.24Å; D806-R857 WeakPolarHBondContact O-CG 3.38Å; D806-L858 HydrophobicContact CB-CB 4.18Å; D806-L858 PolarHBondContact N-O 3.42Å
807	P	77.5	Confident	87.9	Confident	49 Å²	49	44.6 Å²	44.6	32%	0.318	22%	0.219	S	C	.	.	S	Bend	trans	-73.4	-28.7	178.4	26	-32.1	0	0	0	114	N842	P807-N842 PolarHBondContact O-ND2 2.83Å
808	E	82.9	Confident	87.7	Confident	104 Å²	104	43 Å²	43	49%	0.486	21%	0.212	S	C	.	.			trans	-94.3	99.9	179.8	-163	-169.1	174.8	0	0	110.3	T810	E808-T810 VanDerWaalsContact C-N 3.31Å; E808-T810 VanDerWaalsContact CD-CG2 3.46Å; E808-T810 HydrophobicContact CG-CG2 3.69Å; E808-T810 PolarHBondContact O-N 3.15Å; E808-T810 VanDerWaalsContact OE1-CG2 3.3Å; E808-T810 WeakPolarHBondContact OE1-CG2 3.23Å
809	V	86.4	Confident	87.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.			trans	-83.8	74.4	178.9	-174.6	0	0	0	0	108.4	L814 N842 R845 L849 L858	V809-L814 HydrophobicContact CG1-CD1 3.97Å; V809-L814 HydrophobicContact CG1-CD2 3.84Å; V809-L814 HydrophobicContact CG1-CG 3.93Å; V809-N842 PolarHBondContact N-OD1 2.66Å; V809-R845 HydrophobicContact CB-CB 4.16Å; V809-R845 HydrophobicContact CG1-CB 3.97Å; V809-R845 WeakPolarHBondContact O-CD 3.3Å; V809-R845 PolarHBondContact O-NE 2.99Å; V809-R845 PolarHBondContact O-NH2 2.89Å; V809-L849 HydrophobicContact CG1-CD2 4.37Å; V809-L849 HydrophobicContact CG2-CD2 4.33Å; V809-L858 HydrophobicContact CB-CD1 4.47Å; V809-L858 HydrophobicContact CG1-CD1 3.98Å; V809-L858 HydrophobicContact CG1-CG 4.13Å; V809-L858 HydrophobicContact CG2-CG 4.39Å
810	T	87.4	Confident	87.3	Confident	41 Å²	41	50 Å²	50	25%	0.252	24%	0.238	S	C	.	.			trans	-71.1	151.2	-179.8	64.3	0	0	0	0	112.4	E808 D812 A813 L814	E808-T810 VanDerWaalsContact C-N 3.31Å; E808-T810 VanDerWaalsContact CD-CG2 3.46Å; E808-T810 HydrophobicContact CG-CG2 3.69Å; E808-T810 PolarHBondContact O-N 3.15Å; E808-T810 VanDerWaalsContact OE1-CG2 3.3Å; E808-T810 WeakPolarHBondContact OE1-CG2 3.23Å; T810-D812 VanDerWaalsContact C-N 3.27Å; T810-D812 PolarHBondContact O-N 3.04Å; T810-A813 WeakPolarHBondContact O-CB 3.19Å; T810-A813 PolarHBondContact O-N 2.75Å; T810-A813 VanDerWaalsContact O-N 3.13Å; T810-A813 VanDerWaalsContact OG1-CB 3.28Å; T810-A813 WeakPolarHBondContact OG1-CB 3.42Å; T810-A813 PolarHBondContact OG1-N 2.9Å; T810-L814 PolarHBondContact O-N 2.93Å
811	V	88.3	Confident	87	Confident	12 Å²	12	52.2 Å²	52.2	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-35.1	178.6	-168.3	0	0	0	0	111.3	A813 L814 R815 W834 L837 N838	V811-A813 VanDerWaalsContact C-N 3.34Å; V811-A813 PolarHBondContact O-N 3.39Å; V811-L814 WeakPolarHBondContact O-CB 3.28Å; V811-L814 PolarHBondContact O-N 2.88Å; V811-R815 VanDerWaalsContact O-CG 3.3Å; V811-R815 WeakPolarHBondContact O-CG 3.28Å; V811-R815 PolarHBondContact O-N 2.95Å; V811-W834 HydrophobicContact CG1-CE3 3.57Å; V811-W834 HydrophobicContact CG1-CZ3 3.75Å; V811-L837 HydrophobicContact CG1-CB 4.36Å; V811-L837 WeakPolarHBondContact CG2-O 2.97Å; V811-N838 WeakPolarHBondContact CG1-OD1 3.13Å
812	D	83.4	Confident	86.7	Confident	102 Å²	102	54 Å²	54	55%	0.545	26%	0.263	S	S	.	.	H	α-helix	trans	-71.4	-26.3	176.3	-66.2	-30.8	0	0	0	113.5	T810 R815 K816	T810-D812 VanDerWaalsContact C-N 3.27Å; T810-D812 PolarHBondContact O-N 3.04Å; D812-R815 IonicContact OD1-NE 3.7Å; D812-K816 WeakPolarHBondContact O-CD 3.34Å; D812-K816 VanDerWaalsContact O-CG 3.31Å; D812-K816 WeakPolarHBondContact O-CG 3.19Å; D812-K816 PolarHBondContact O-N 2.58Å
813	A	83	Confident	86.4	Confident	26 Å²	26	51.9 Å²	51.9	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-42.4	168.8	0	0	0	0	0	111.1	T810 V811 K816 L817 L858	T810-A813 WeakPolarHBondContact O-CB 3.19Å; T810-A813 PolarHBondContact O-N 2.75Å; T810-A813 VanDerWaalsContact O-N 3.13Å; T810-A813 VanDerWaalsContact OG1-CB 3.28Å; T810-A813 WeakPolarHBondContact OG1-CB 3.42Å; T810-A813 PolarHBondContact OG1-N 2.9Å; V811-A813 VanDerWaalsContact C-N 3.34Å; V811-A813 PolarHBondContact O-N 3.39Å; A813-K816 PolarHBondContact O-N 2.72Å; A813-L817 PolarHBondContact O-N 3.22Å; A813-L858 HydrophobicContact CB-CD1 3.61Å
814	L	86.6	Confident	85.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-49.3	172.3	-68.5	173.2	0	0	0	111.3	V809 T810 V811 K816 L817 T818 W834 L837 L849 L858 I862	V809-L814 HydrophobicContact CG1-CD1 3.97Å; V809-L814 HydrophobicContact CG1-CD2 3.84Å; V809-L814 HydrophobicContact CG1-CG 3.93Å; T810-L814 PolarHBondContact O-N 2.93Å; V811-L814 WeakPolarHBondContact O-CB 3.28Å; V811-L814 PolarHBondContact O-N 2.88Å; L814-K816 PolarHBondContact O-N 3.45Å; L814-K816 VanDerWaalsContact O-N 3.1Å; L814-L817 CarbonylContact O-C 3.6Å; L814-L817 PolarHBondContact O-N 3.18Å; L814-T818 WeakPolarHBondContact O-CB 3.18Å; L814-T818 PolarHBondContact O-N 3.49Å; L814-T818 PolarHBondContact O-OG1 3.36Å; L814-T818 VanDerWaalsContact O-OG1 3.08Å; L814-W834 HydrophobicContact CB-CH2 4.06Å; L814-W834 HydrophobicContact CB-CZ3 3.96Å; L814-L837 HydrophobicContact CD1-CD1 4.07Å; L814-L849 HydrophobicContact CD2-CD1 4.05Å; L814-L858 HydrophobicContact CD2-CD1 4.46Å; L814-L858 HydrophobicContact CD2-CD2 4.09Å; L814-I862 HydrophobicContact CD2-CD1 4.02Å
815	R	86.4	Confident	84.7	Confident	89 Å²	89	65.4 Å²	65.4	34%	0.336	33%	0.329	S	S	.	.	H	α-helix	trans	-52.3	-35.5	177.7	-74.3	175.2	-161.4	-68.4	-8.9	113.5	V811 D812 W834 N838	V811-R815 VanDerWaalsContact O-CG 3.3Å; V811-R815 WeakPolarHBondContact O-CG 3.28Å; V811-R815 PolarHBondContact O-N 2.95Å; D812-R815 IonicContact OD1-NE 3.7Å; R815-W834 VanDerWaalsContact CA-CH2 3.47Å; R815-W834 HydrophobicContact CB-CH2 4.14Å; R815-W834 HydrophobicContact CB-CZ2 4.3Å; R815-W834 HydrophobicContact CG-CD2 4.05Å; R815-W834 HydrophobicContact CG-CE3 3.87Å; R815-W834 HydrophobicContact CG-CH2 3.64Å; R815-W834 HydrophobicContact CG-CZ2 3.77Å; R815-W834 HydrophobicContact CG-CZ3 3.67Å; R815-N838 PolarHBondContact NH2-OD1 2.94Å
816	K	82.7	Confident	84.4	Confident	153 Å²	153	69.5 Å²	69.5	67%	0.665	36%	0.358	S	S	*	.	H	α-helix	trans	-72.9	-29.8	178.4	-70	166.2	-172.8	176.3	0	112.6	D812 A813 L814 R819	D812-K816 WeakPolarHBondContact O-CD 3.34Å; D812-K816 VanDerWaalsContact O-CG 3.31Å; D812-K816 WeakPolarHBondContact O-CG 3.19Å; D812-K816 PolarHBondContact O-N 2.58Å; A813-K816 PolarHBondContact O-N 2.72Å; L814-K816 PolarHBondContact O-N 3.45Å; L814-K816 VanDerWaalsContact O-N 3.1Å; K816-R819 PolarHBondContact O-NH1 3.26Å; K816-R819 PolarHBondContact O-NH2 3.23Å
817	L	82.8	Confident	84.5	Confident	44 Å²	44	67.8 Å²	67.8	23%	0.23	35%	0.348	C	S	.	.	H	α-helix	trans	-103.4	-19.2	-172.5	-66.4	170.5	0	0	0	114.2	A813 L814 L858 P859 A860 R861 I862	A813-L817 PolarHBondContact O-N 3.22Å; L814-L817 CarbonylContact O-C 3.6Å; L814-L817 PolarHBondContact O-N 3.18Å; L817-L858 HydrophobicContact CD1-CD1 4.43Å; L817-L858 HydrophobicContact CD1-CD2 3.85Å; L817-P859 HydrophobicContact CD1-CB 4.01Å; L817-A860 WeakPolarHBondContact CB-O 3.4Å; L817-R861 WeakPolarHBondContact O-CA 3.31Å; L817-I862 PolarHBondContact O-N 3.11Å; L817-I862 VanDerWaalsContact O-N 3.1Å
818	T	87.2	Confident	85	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.037	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.9	172.3	-59.8	0	0	0	0	111.5	L814 F820 W834 I862 I864	L814-T818 WeakPolarHBondContact O-CB 3.18Å; L814-T818 PolarHBondContact O-N 3.49Å; L814-T818 PolarHBondContact O-OG1 3.36Å; L814-T818 VanDerWaalsContact O-OG1 3.08Å; T818-F820 HydrophobicContact CG2-CD2 4.11Å; T818-F820 HydrophobicContact CG2-CE2 3.61Å; T818-F820 HydrophobicContact CG2-CZ 3.96Å; T818-W834 HydrophobicContact CG2-CH2 4.3Å; T818-W834 HydrophobicContact CG2-CZ2 3.99Å; T818-I862 CarbonylContact C-O 3.49Å; T818-I862 VanDerWaalsContact CA-O 3.3Å; T818-I862 WeakPolarHBondContact CA-O 3.33Å; T818-I862 HydrophobicContact CG2-CB 4.47Å; T818-I862 HydrophobicContact CG2-CG2 4.31Å; T818-I864 HydrophobicContact CG2-CD1 3.49Å; T818-I864 VanDerWaalsContact CG2-CD1 3.49Å; T818-I864 HydrophobicContact CG2-CG1 3.87Å
819	R	89.7	Confident	85.4	Confident	123 Å²	123	63.4 Å²	63.4	46%	0.464	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.2	165.8	-62.1	-64.9	173.6	-87.9	-0.9	109.1	K816 E821 I862 Y863 I864	K816-R819 PolarHBondContact O-NH1 3.26Å; K816-R819 PolarHBondContact O-NH2 3.23Å; R819-E821 WeakPolarHBondContact CB-OE1 3.44Å; R819-I862 PolarHBondContact N-O 2.85Å; R819-Y863 HydrophobicContact CB-CD1 4.12Å; R819-Y863 HydrophobicContact CB-CE1 4.41Å; R819-Y863 HydrophobicContact CG-CE1 4.42Å; R819-I864 PolarHBondContact O-N 3.13Å
820	F	88.3	Confident	85.6	Confident	51 Å²	51	64.9 Å²	64.9	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.2	173	-68.1	-92.5	0	0	0	106.5	T818 F823 V830 F833 W834 I864	T818-F820 HydrophobicContact CG2-CD2 4.11Å; T818-F820 HydrophobicContact CG2-CE2 3.61Å; T818-F820 HydrophobicContact CG2-CZ 3.96Å; F820-F823 HydrophobicContact CB-CB 4.31Å; F820-F823 HydrophobicContact CB-CD2 3.72Å; F820-F823 HydrophobicContact CB-CE2 4.4Å; F820-F823 HydrophobicContact CB-CG 4.25Å; F820-F823 AromaticContact CD1-CD2 3.92Å; F820-F823 HydrophobicContact CD1-CD2 3.92Å; F820-F823 AromaticContact CD1-CE2 3.91Å; F820-F823 HydrophobicContact CD1-CE2 3.91Å; F820-F823 HydrophobicContact CD1-CG 4.39Å; F820-F823 HydrophobicContact CD1-CZ 4.37Å; F820-F823 HydrophobicContact CG-CD2 4.32Å; F820-V830 HydrophobicContact CD1-CB 4.42Å; F820-V830 HydrophobicContact CD1-CG1 4.19Å; F820-V830 HydrophobicContact CD1-CG2 3.71Å; F820-V830 HydrophobicContact CD2-CG1 4.16Å; F820-V830 HydrophobicContact CE1-CB 4.25Å; F820-V830 HydrophobicContact CE1-CG1 3.96Å; F820-V830 HydrophobicContact CE1-CG2 3.99Å; F820-V830 HydrophobicContact CE2-CG1 3.95Å; F820-V830 HydrophobicContact CG-CG1 4.28Å; F820-V830 HydrophobicContact CG-CG2 4.17Å; F820-V830 HydrophobicContact CZ-CG1 3.84Å; F820-F833 HydrophobicContact CE1-CD1 4.19Å; F820-F833 AromaticContact CZ-CD1 3.68Å; F820-F833 HydrophobicContact CZ-CD1 3.68Å; F820-F833 AromaticContact CZ-CE1 3.92Å; F820-F833 HydrophobicContact CZ-CE1 3.92Å; F820-F833 HydrophobicContact CZ-CG 4.45Å; F820-W834 AromaticContact CE2-CE2 3.74Å; F820-W834 AromaticContact CE2-CZ2 3.7Å; F820-W834 HydrophobicContact CE2-CZ2 3.7Å; F820-W834 AromaticContact CE2-NE1 3.31Å; F820-W834 VanDerWaalsContact CE2-NE1 3.31Å; F820-W834 AromaticContact CZ-CE2 3.82Å; F820-W834 AromaticContact CZ-CZ2 3.99Å; F820-W834 HydrophobicContact CZ-CZ2 3.99Å; F820-W834 AromaticContact CZ-NE1 3.44Å; F820-I864 WeakPolarHBondContact CA-O 3.45Å; F820-I864 HydrophobicContact CD1-CB 3.85Å; F820-I864 HydrophobicContact CD1-CD1 4.28Å; F820-I864 HydrophobicContact CD1-CG2 4.05Å; F820-I864 HydrophobicContact CE1-CB 4.05Å; F820-I864 HydrophobicContact CE1-CD1 3.63Å; F820-I864 HydrophobicContact CE1-CG1 4.32Å; F820-I864 HydrophobicContact CE1-CG2 4.08Å; F820-I864 HydrophobicContact CZ-CD1 3.8Å
821	E	87.8	Confident	85.8	Confident	71 Å²	71	68.4 Å²	68.4	33%	0.332	35%	0.349	S	S	.	.			trans	-106.3	142.9	179.1	-52.5	-61.3	159.8	0	0	107.8	R819 F823 Y863 I864 Y865 P866	R819-E821 WeakPolarHBondContact CB-OE1 3.44Å; E821-F823 WeakPolarHBondContact O-CD2 3.34Å; E821-F823 PolarHBondContact O-N 2.79Å; E821-Y863 HydrophobicContact CG-CD1 4.4Å; E821-I864 PolarHBondContact N-O 3.11Å; E821-Y865 HydrophobicContact CB-CD1 3.85Å; E821-Y865 HydrophobicContact CB-CE1 3.41Å; E821-Y865 VanDerWaalsContact CB-CE1 3.41Å; E821-Y865 HydrophobicContact CB-CE2 4.37Å; E821-Y865 HydrophobicContact CB-CG 4.49Å; E821-Y865 HydrophobicContact CG-CE1 4.15Å; E821-Y865 HydrophobicContact CG-CE2 4.43Å; E821-P866 WeakPolarHBondContact O-CD 3.43Å
822	D	85.8	Confident	86.1	Confident	131 Å²	131	71 Å²	71	70%	0.701	36%	0.358	S	S	*	.	S	Bend	trans	58.2	26	-177.2	-52.9	-42.4	0	0	0	115.9	P866	D822-P866 HydrophobicContact CB-CG 4.08Å
823	F	84.4	Confident	86.6	Confident	31 Å²	31	66.1 Å²	66.1	14%	0.136	33%	0.332	C	S	.	.			trans	-104.3	144.5	169.4	-73.4	-91.2	0	0	0	112.4	F820 E821 D827 R829 V830 I864 Y865 P866 L889	F820-F823 HydrophobicContact CB-CB 4.31Å; F820-F823 HydrophobicContact CB-CD2 3.72Å; F820-F823 HydrophobicContact CB-CE2 4.4Å; F820-F823 HydrophobicContact CB-CG 4.25Å; F820-F823 AromaticContact CD1-CD2 3.92Å; F820-F823 HydrophobicContact CD1-CD2 3.92Å; F820-F823 AromaticContact CD1-CE2 3.91Å; F820-F823 HydrophobicContact CD1-CE2 3.91Å; F820-F823 HydrophobicContact CD1-CG 4.39Å; F820-F823 HydrophobicContact CD1-CZ 4.37Å; F820-F823 HydrophobicContact CG-CD2 4.32Å; E821-F823 WeakPolarHBondContact O-CD2 3.34Å; E821-F823 PolarHBondContact O-N 2.79Å; F823-D827 HydrophobicContact CD1-CB 4.12Å; F823-R829 HydrophobicContact CE1-CB 3.93Å; F823-V830 HydrophobicContact CB-CG2 4.1Å; F823-V830 HydrophobicContact CD1-CG2 3.65Å; F823-V830 HydrophobicContact CE1-CG2 4.24Å; F823-V830 HydrophobicContact CG-CG2 3.9Å; F823-I864 HydrophobicContact CE2-CB 4.4Å; F823-I864 HydrophobicContact CE2-CG2 3.93Å; F823-I864 WeakPolarHBondContact CE2-O 3.37Å; F823-I864 HydrophobicContact CZ-CG2 4.06Å; F823-Y865 VanDerWaalsContact CE2-C 3.4Å; F823-P866 HydrophobicContact CZ-CB 4.46Å; F823-L889 HydrophobicContact CZ-CB 4.3Å; F823-L889 HydrophobicContact CZ-CD2 4.28Å
824	E	79.8	Confident	87.2	Confident	137 Å²	137	66.1 Å²	66.1	64%	0.64	33%	0.327	S	S	*	.			trans	-73.5	148.3	167.7	-67.3	-165.1	152.1	0	0	111.6	S826 D827	E824-S826 PolarHBondContact O-N 3.4Å; E824-D827 WeakPolarHBondContact O-CB 3.34Å; E824-D827 PolarHBondContact O-N 3.5Å
825	P	72.8	Confident	87.5	Confident	147 Å²	147	70.9 Å²	70.9	96%	0.955	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.4	179.7	-26.5	35.5	0	0	0	115.9
826	S	84.2	Confident	87.9	Confident	86 Å²	86	66.7 Å²	66.7	60%	0.601	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	5.9	179.6	43.5	0	0	0	0	114.4	E824 S828 Q831	E824-S826 PolarHBondContact O-N 3.4Å; S826-S828 PolarHBondContact O-N 3.44Å; S826-Q831 PolarHBondContact O-NE2 3.49Å
827	D	86.4	Confident	88.5	Confident	20 Å²	20	59.4 Å²	59.4	11%	0.107	30%	0.301	C	S	.	.			trans	-61.4	131	-174.3	-166.9	-49.2	0	0	0	112.5	F823 E824 R829 V830	F823-D827 HydrophobicContact CD1-CB 4.12Å; E824-D827 WeakPolarHBondContact O-CB 3.34Å; E824-D827 PolarHBondContact O-N 3.5Å; D827-R829 VanDerWaalsContact C-N 3.31Å; D827-R829 PolarHBondContact O-N 2.9Å; D827-R829 WeakPolarHBondContact OD1-CB 3.17Å; D827-R829 WeakPolarHBondContact OD1-CG 2.79Å; D827-R829 PolarHBondContact OD1-N 3.43Å; D827-R829 IonicContact OD1-NE 3.64Å; D827-R829 PolarHBondContact OD1-NE 2.69Å; D827-R829 VanDerWaalsContact OD1-NE 3.1Å; D827-R829 IonicContact OD2-CZ 2.64Å; D827-R829 VanDerWaalsContact OD2-CZ 3.3Å; D827-R829 IonicContact OD2-NE 3.26Å; D827-R829 PolarHBondContact OD2-NE 3.13Å; D827-R829 VanDerWaalsContact OD2-NE 3.09Å; D827-R829 IonicContact OD2-NH2 3.47Å; D827-R829 PolarHBondContact OD2-NH2 3.1Å; D827-V830 HydrophobicContact CB-CG2 4.24Å; D827-V830 PolarHBondContact O-N 3.09Å
828	S	89.3	Confident	89	Confident	36 Å²	36	61.7 Å²	61.7	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-68	-27.2	-178.6	55.6	0	0	0	0	113.2	S826 V830 Q831 Y832	S826-S828 PolarHBondContact O-N 3.44Å; S828-V830 VanDerWaalsContact C-N 3.3Å; S828-V830 PolarHBondContact O-N 3.48Å; S828-Q831 WeakPolarHBondContact O-CB 3.5Å; S828-Q831 PolarHBondContact O-N 3.28Å; S828-Q831 VanDerWaalsContact O-N 3.15Å; S828-Y832 WeakPolarHBondContact O-CB 3.2Å; S828-Y832 VanDerWaalsContact O-CG 3.26Å; S828-Y832 PolarHBondContact O-N 3.47Å
829	R	90.2	Very high	89.3	Confident	25 Å²	25	65.8 Å²	65.8	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-40	177.9	-64.7	175	-75.5	-176.4	1.3	111.4	F823 D827 Q831 Y832 F833 P866 L889	F823-R829 HydrophobicContact CE1-CB 3.93Å; D827-R829 VanDerWaalsContact C-N 3.31Å; D827-R829 PolarHBondContact O-N 2.9Å; D827-R829 WeakPolarHBondContact OD1-CB 3.17Å; D827-R829 WeakPolarHBondContact OD1-CG 2.79Å; D827-R829 PolarHBondContact OD1-N 3.43Å; D827-R829 IonicContact OD1-NE 3.64Å; D827-R829 PolarHBondContact OD1-NE 2.69Å; D827-R829 VanDerWaalsContact OD1-NE 3.1Å; D827-R829 IonicContact OD2-CZ 2.64Å; D827-R829 VanDerWaalsContact OD2-CZ 3.3Å; D827-R829 IonicContact OD2-NE 3.26Å; D827-R829 PolarHBondContact OD2-NE 3.13Å; D827-R829 VanDerWaalsContact OD2-NE 3.09Å; D827-R829 IonicContact OD2-NH2 3.47Å; D827-R829 PolarHBondContact OD2-NH2 3.1Å; R829-Q831 VanDerWaalsContact C-N 3.33Å; R829-Q831 PolarHBondContact O-N 2.94Å; R829-Y832 PolarHBondContact O-N 2.84Å; R829-F833 WeakPolarHBondContact O-CB 2.98Å; R829-F833 PolarHBondContact O-N 3.29Å; R829-P866 VanDerWaalsContact NH1-CB 3.26Å; R829-L889 HydrophobicContact CB-CD2 4Å
830	V	91.9	Very high	89.4	Confident	31 Å²	31	60.1 Å²	60.1	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-40.7	176.7	-177.1	0	0	0	0	110.6	F820 F823 D827 S828 W834	F820-V830 HydrophobicContact CD1-CB 4.42Å; F820-V830 HydrophobicContact CD1-CG1 4.19Å; F820-V830 HydrophobicContact CD1-CG2 3.71Å; F820-V830 HydrophobicContact CD2-CG1 4.16Å; F820-V830 HydrophobicContact CE1-CB 4.25Å; F820-V830 HydrophobicContact CE1-CG1 3.96Å; F820-V830 HydrophobicContact CE1-CG2 3.99Å; F820-V830 HydrophobicContact CE2-CG1 3.95Å; F820-V830 HydrophobicContact CG-CG1 4.28Å; F820-V830 HydrophobicContact CG-CG2 4.17Å; F820-V830 HydrophobicContact CZ-CG1 3.84Å; F823-V830 HydrophobicContact CB-CG2 4.1Å; F823-V830 HydrophobicContact CD1-CG2 3.65Å; F823-V830 HydrophobicContact CE1-CG2 4.24Å; F823-V830 HydrophobicContact CG-CG2 3.9Å; D827-V830 HydrophobicContact CB-CG2 4.24Å; D827-V830 PolarHBondContact O-N 3.09Å; S828-V830 VanDerWaalsContact C-N 3.3Å; S828-V830 PolarHBondContact O-N 3.48Å; V830-W834 PolarHBondContact O-N 3.29Å
831	Q	91.3	Very high	89.5	Confident	115 Å²	115	61.2 Å²	61.2	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-67.9	-50.5	178.3	-59.2	173.8	45.2	0	0	110.9	S826 S828 R829 F833 W834 E835	S826-Q831 PolarHBondContact O-NE2 3.49Å; S828-Q831 WeakPolarHBondContact O-CB 3.5Å; S828-Q831 PolarHBondContact O-N 3.28Å; S828-Q831 VanDerWaalsContact O-N 3.15Å; R829-Q831 VanDerWaalsContact C-N 3.33Å; R829-Q831 PolarHBondContact O-N 2.94Å; Q831-F833 PolarHBondContact O-N 3.17Å; Q831-W834 PolarHBondContact O-N 3.4Å; Q831-E835 PolarHBondContact O-N 3.35Å
832	Y	94.3	Very high	89.4	Confident	67 Å²	67	60.7 Å²	60.7	26%	0.263	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-39.6	179.1	-69.2	-10.4	0	0	0	113.2	S828 R829 E835 A836 Y892 A895	S828-Y832 WeakPolarHBondContact O-CB 3.2Å; S828-Y832 VanDerWaalsContact O-CG 3.26Å; S828-Y832 PolarHBondContact O-N 3.47Å; R829-Y832 PolarHBondContact O-N 2.84Å; Y832-E835 PolarHBondContact O-N 2.74Å; Y832-A836 WeakPolarHBondContact O-CB 3.5Å; Y832-A836 PolarHBondContact O-N 3.04Å; Y832-Y892 WeakPolarHBondContact CD2-O 3.41Å; Y832-Y892 WeakPolarHBondContact CE2-O 3.03Å; Y832-A895 HydrophobicContact CD1-CB 3.91Å; Y832-A895 HydrophobicContact CG-CB 4.21Å
833	F	94.8	Very high	89.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-45.9	173	173.3	-91.9	0	0	0	112	F820 R829 Q831 A836 L837 F848 I864 L887 L889 L902	F820-F833 HydrophobicContact CE1-CD1 4.19Å; F820-F833 AromaticContact CZ-CD1 3.68Å; F820-F833 HydrophobicContact CZ-CD1 3.68Å; F820-F833 AromaticContact CZ-CE1 3.92Å; F820-F833 HydrophobicContact CZ-CE1 3.92Å; F820-F833 HydrophobicContact CZ-CG 4.45Å; R829-F833 WeakPolarHBondContact O-CB 2.98Å; R829-F833 PolarHBondContact O-N 3.29Å; Q831-F833 PolarHBondContact O-N 3.17Å; F833-A836 PolarHBondContact O-N 3.34Å; F833-L837 HydrophobicContact CD1-CD1 4.13Å; F833-L837 HydrophobicContact CE1-CD1 3.42Å; F833-L837 VanDerWaalsContact CE1-CD1 3.42Å; F833-L837 HydrophobicContact CE1-CG 4.35Å; F833-L837 HydrophobicContact CE2-CD1 4.1Å; F833-L837 HydrophobicContact CZ-CD1 3.4Å; F833-L837 HydrophobicContact CZ-CG 4.27Å; F833-L837 WeakPolarHBondContact O-CG 3.44Å; F833-L837 PolarHBondContact O-N 3.42Å; F833-F848 HydrophobicContact CE2-CE1 4.41Å; F833-F848 HydrophobicContact CE2-CE2 4.06Å; F833-F848 AromaticContact CE2-CZ 3.58Å; F833-F848 HydrophobicContact CE2-CZ 3.58Å; F833-F848 HydrophobicContact CZ-CE1 4.08Å; F833-F848 AromaticContact CZ-CZ 3.62Å; F833-F848 HydrophobicContact CZ-CZ 3.62Å; F833-I864 HydrophobicContact CD1-CD1 4.25Å; F833-I864 HydrophobicContact CD2-CD1 4.28Å; F833-I864 HydrophobicContact CE1-CD1 3.62Å; F833-I864 HydrophobicContact CE2-CD1 3.68Å; F833-I864 HydrophobicContact CZ-CD1 3.3Å; F833-L887 HydrophobicContact CD2-CD2 4.37Å; F833-L887 HydrophobicContact CE2-CD2 3.71Å; F833-L889 HydrophobicContact CB-CD2 4.04Å; F833-L889 HydrophobicContact CD2-CD1 4.4Å; F833-L889 HydrophobicContact CD2-CD2 4.28Å; F833-L889 HydrophobicContact CG-CD2 4.41Å; F833-L902 HydrophobicContact CD2-CD1 3.98Å; F833-L902 HydrophobicContact CE2-CD1 4.38Å
834	W	94.6	Very high	89.4	Confident	26 Å²	26	58.4 Å²	58.4	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-73	-28	179.7	-77	127.4	0	0	0	114	V811 L814 R815 T818 F820 V830 Q831 L837 N838	V811-W834 HydrophobicContact CG1-CE3 3.57Å; V811-W834 HydrophobicContact CG1-CZ3 3.75Å; L814-W834 HydrophobicContact CB-CH2 4.06Å; L814-W834 HydrophobicContact CB-CZ3 3.96Å; R815-W834 VanDerWaalsContact CA-CH2 3.47Å; R815-W834 HydrophobicContact CB-CH2 4.14Å; R815-W834 HydrophobicContact CB-CZ2 4.3Å; R815-W834 HydrophobicContact CG-CD2 4.05Å; R815-W834 HydrophobicContact CG-CE3 3.87Å; R815-W834 HydrophobicContact CG-CH2 3.64Å; R815-W834 HydrophobicContact CG-CZ2 3.77Å; R815-W834 HydrophobicContact CG-CZ3 3.67Å; T818-W834 HydrophobicContact CG2-CH2 4.3Å; T818-W834 HydrophobicContact CG2-CZ2 3.99Å; F820-W834 AromaticContact CE2-CE2 3.74Å; F820-W834 AromaticContact CE2-CZ2 3.7Å; F820-W834 HydrophobicContact CE2-CZ2 3.7Å; F820-W834 AromaticContact CE2-NE1 3.31Å; F820-W834 VanDerWaalsContact CE2-NE1 3.31Å; F820-W834 AromaticContact CZ-CE2 3.82Å; F820-W834 AromaticContact CZ-CZ2 3.99Å; F820-W834 HydrophobicContact CZ-CZ2 3.99Å; F820-W834 AromaticContact CZ-NE1 3.44Å; V830-W834 PolarHBondContact O-N 3.29Å; Q831-W834 PolarHBondContact O-N 3.4Å; W834-L837 HydrophobicContact CE3-CB 4.45Å; W834-L837 HydrophobicContact CE3-CD1 4.03Å; W834-L837 HydrophobicContact CZ3-CD1 3.75Å; W834-N838 VanDerWaalsContact O-CG 3.24Å; W834-N838 PolarHBondContact O-N 3.01Å; W834-N838 PolarHBondContact O-ND2 2.91Å
835	E	94	Very high	90	Very high	100 Å²	100	53.5 Å²	53.5	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-70.5	-46	171.6	-171	178.9	159.1	0	0	110.9	Q831 Y832 L837 N838 N839 A895	Q831-E835 PolarHBondContact O-N 3.35Å; Y832-E835 PolarHBondContact O-N 2.74Å; E835-L837 PolarHBondContact O-N 2.57Å; E835-N838 WeakPolarHBondContact O-CB 3.38Å; E835-N838 PolarHBondContact O-N 2.79Å; E835-N838 VanDerWaalsContact O-N 3.11Å; E835-N839 PolarHBondContact O-N 2.82Å; E835-A895 HydrophobicContact CB-CB 3.82Å; E835-A895 HydrophobicContact CG-CB 3.78Å; E835-A895 VanDerWaalsContact OE2-CB 3.31Å; E835-A895 WeakPolarHBondContact OE2-CB 3.36Å
836	A	94.6	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.7	-47.3	173.1	0	0	0	0	0	112.6	Y832 F833 N838 N839 F840 C898 E899 L902	Y832-A836 WeakPolarHBondContact O-CB 3.5Å; Y832-A836 PolarHBondContact O-N 3.04Å; F833-A836 PolarHBondContact O-N 3.34Å; A836-N838 VanDerWaalsContact C-N 3.28Å; A836-N838 PolarHBondContact O-N 3.45Å; A836-N839 PolarHBondContact O-N 3.19Å; A836-N839 VanDerWaalsContact O-N 3.11Å; A836-F840 VanDerWaalsContact O-CD1 3.22Å; A836-F840 WeakPolarHBondContact O-CD1 3.48Å; A836-F840 PolarHBondContact O-N 3.14Å; A836-F840 VanDerWaalsContact O-N 3.14Å; A836-C898 HydrophobicContact CB-CB 4.46Å; A836-E899 HydrophobicContact CB-CB 3.69Å; A836-E899 HydrophobicContact CB-CG 4.15Å; A836-L902 HydrophobicContact CB-CD1 4.18Å
837	L	94.1	Very high	90.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-20.7	177.9	-69.3	-173.4	0	0	0	114.3	V811 L814 F833 W834 E835 F840 R845 F848	V811-L837 HydrophobicContact CG1-CB 4.36Å; V811-L837 WeakPolarHBondContact CG2-O 2.97Å; L814-L837 HydrophobicContact CD1-CD1 4.07Å; F833-L837 HydrophobicContact CD1-CD1 4.13Å; F833-L837 HydrophobicContact CE1-CD1 3.42Å; F833-L837 VanDerWaalsContact CE1-CD1 3.42Å; F833-L837 HydrophobicContact CE1-CG 4.35Å; F833-L837 HydrophobicContact CE2-CD1 4.1Å; F833-L837 HydrophobicContact CZ-CD1 3.4Å; F833-L837 HydrophobicContact CZ-CG 4.27Å; F833-L837 WeakPolarHBondContact O-CG 3.44Å; F833-L837 PolarHBondContact O-N 3.42Å; W834-L837 HydrophobicContact CE3-CB 4.45Å; W834-L837 HydrophobicContact CE3-CD1 4.03Å; W834-L837 HydrophobicContact CZ3-CD1 3.75Å; E835-L837 PolarHBondContact O-N 2.57Å; L837-F840 HydrophobicContact CD2-CD2 3.45Å; L837-F840 VanDerWaalsContact CD2-CD2 3.45Å; L837-F840 HydrophobicContact CD2-CE2 3.69Å; L837-F840 HydrophobicContact CD2-CG 4.16Å; L837-R845 WeakPolarHBondContact O-CD 3.23Å; L837-F848 HydrophobicContact CD1-CD1 4.49Å; L837-F848 HydrophobicContact CD1-CE1 4.05Å; L837-F848 HydrophobicContact CD2-CD1 3.91Å; L837-F848 HydrophobicContact CD2-CE1 4.18Å; L837-F848 HydrophobicContact CD2-CG 4.18Å
838	N	93.9	Very high	90.8	Very high	93 Å²	93	47.2 Å²	47.2	50%	0.497	23%	0.233	S	C	.	.	H	α-helix	trans	-72.1	-33	169.7	-76.6	-21.2	0	0	0	111.7	V811 R815 W834 E835 A836	V811-N838 WeakPolarHBondContact CG1-OD1 3.13Å; R815-N838 PolarHBondContact NH2-OD1 2.94Å; W834-N838 VanDerWaalsContact O-CG 3.24Å; W834-N838 PolarHBondContact O-N 3.01Å; W834-N838 PolarHBondContact O-ND2 2.91Å; E835-N838 WeakPolarHBondContact O-CB 3.38Å; E835-N838 PolarHBondContact O-N 2.79Å; E835-N838 VanDerWaalsContact O-N 3.11Å; A836-N838 VanDerWaalsContact C-N 3.28Å; A836-N838 PolarHBondContact O-N 3.45Å
839	N	93.3	Very high	90.7	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-79.6	-19	177.4	-63.6	-13	0	0	0	113.1	E835 A836 E899	E835-N839 PolarHBondContact O-N 2.82Å; A836-N839 PolarHBondContact O-N 3.19Å; A836-N839 VanDerWaalsContact O-N 3.11Å; N839-E899 HydrophobicContact CB-CG 4.45Å; N839-E899 VanDerWaalsContact CB-OE2 3.28Å; N839-E899 WeakPolarHBondContact CB-OE2 3.48Å; N839-E899 PolarHBondContact ND2-OE2 2.85Å
840	F	92.6	Very high	90.3	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.018	23%	0.232	C	C	.	.	S	Bend	trans	-68.2	135.6	177.3	-84.7	19.2	0	0	0	112.9	A836 L837 D844 R845 F848 E899 L902 R903	A836-F840 VanDerWaalsContact O-CD1 3.22Å; A836-F840 WeakPolarHBondContact O-CD1 3.48Å; A836-F840 PolarHBondContact O-N 3.14Å; A836-F840 VanDerWaalsContact O-N 3.14Å; L837-F840 HydrophobicContact CD2-CD2 3.45Å; L837-F840 VanDerWaalsContact CD2-CD2 3.45Å; L837-F840 HydrophobicContact CD2-CE2 3.69Å; L837-F840 HydrophobicContact CD2-CG 4.16Å; F840-D844 HydrophobicContact CB-CB 3.6Å; F840-D844 HydrophobicContact CD1-CB 4.21Å; F840-D844 HydrophobicContact CD2-CB 3.58Å; F840-D844 HydrophobicContact CE2-CB 4.26Å; F840-D844 HydrophobicContact CG-CB 3.55Å; F840-R845 HydrophobicContact CB-CG 3.53Å; F840-R845 HydrophobicContact CD2-CG 4.14Å; F840-R845 HydrophobicContact CG-CG 4.38Å; F840-R845 PolarHBondContact O-NH1 3.37Å; F840-F848 HydrophobicContact CD2-CB 4.48Å; F840-F848 HydrophobicContact CE2-CB 4.06Å; F840-F848 HydrophobicContact CE2-CG 4.47Å; F840-E899 HydrophobicContact CD1-CG 3.87Å; F840-E899 HydrophobicContact CE1-CB 4.48Å; F840-E899 HydrophobicContact CE1-CG 3.55Å; F840-L902 HydrophobicContact CE2-CB 4.41Å; F840-L902 HydrophobicContact CZ-CB 3.76Å; F840-R903 HydrophobicContact CE1-CB 3.97Å; F840-R903 HydrophobicContact CZ-CB 3.89Å
841	T	89	Confident	89.9	Confident	74 Å²	74	47.5 Å²	47.5	45%	0.454	23%	0.226	S	C	.	.			trans	-64.1	166.9	167.4	64.1	0	0	0	0	111.5	E843 D844 R845	T841-E843 PolarHBondContact O-N 2.98Å; T841-D844 WeakPolarHBondContact CB-OD2 3.47Å; T841-D844 WeakPolarHBondContact CG2-OD2 3.43Å; T841-D844 PolarHBondContact N-OD2 3.38Å; T841-D844 PolarHBondContact O-N 2.7Å; T841-D844 PolarHBondContact OG1-N 2.75Å; T841-D844 PolarHBondContact OG1-OD2 3.46Å; T841-R845 WeakPolarHBondContact O-CG 3.22Å; T841-R845 PolarHBondContact O-N 2.89Å
842	N	86.4	Confident	89.6	Confident	61 Å²	61	42 Å²	42	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-32.2	174.8	-164.5	67.2	0	0	0	112.4	P807 V809 R845 S846	P807-N842 PolarHBondContact O-ND2 2.83Å; V809-N842 PolarHBondContact N-OD1 2.66Å; N842-R845 PolarHBondContact OD1-NH2 2.99Å; N842-S846 WeakPolarHBondContact O-CB 3.28Å; N842-S846 PolarHBondContact O-N 3.12Å
843	E	82	Confident	88.8	Confident	106 Å²	106	38.9 Å²	38.9	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-68.6	-47.6	175	-164	-169.4	153.9	0	0	111.7	T841 R845 S846 R847	T841-E843 PolarHBondContact O-N 2.98Å; E843-R845 VanDerWaalsContact C-N 3.29Å; E843-R845 PolarHBondContact O-N 3.01Å; E843-S846 PolarHBondContact O-N 3.28Å; E843-R847 WeakPolarHBondContact O-CB 3.1Å; E843-R847 WeakPolarHBondContact O-CG 3.29Å; E843-R847 PolarHBondContact O-N 2.95Å; E843-R847 IonicContact OE1-CZ 3.49Å; E843-R847 IonicContact OE1-NE 3.63Å; E843-R847 PolarHBondContact OE1-NE 3.1Å; E843-R847 IonicContact OE1-NH2 3.36Å; E843-R847 PolarHBondContact OE1-NH2 2.96Å
844	D	88.4	Confident	87.7	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.043	20%	0.197	C	C	.	.	H	α-helix	trans	-54	-45.5	173.1	-69.9	-60.4	0	0	0	111	F840 T841 R847 F848 R903	F840-D844 HydrophobicContact CB-CB 3.6Å; F840-D844 HydrophobicContact CD1-CB 4.21Å; F840-D844 HydrophobicContact CD2-CB 3.58Å; F840-D844 HydrophobicContact CE2-CB 4.26Å; F840-D844 HydrophobicContact CG-CB 3.55Å; T841-D844 WeakPolarHBondContact CB-OD2 3.47Å; T841-D844 WeakPolarHBondContact CG2-OD2 3.43Å; T841-D844 PolarHBondContact N-OD2 3.38Å; T841-D844 PolarHBondContact O-N 2.7Å; T841-D844 PolarHBondContact OG1-N 2.75Å; T841-D844 PolarHBondContact OG1-OD2 3.46Å; D844-R847 PolarHBondContact O-N 3Å; D844-F848 VanDerWaalsContact O-CB 3.31Å; D844-F848 WeakPolarHBondContact O-CB 3.49Å; D844-F848 PolarHBondContact O-N 2.77Å; D844-R903 WeakPolarHBondContact OD1-CD 3.01Å; D844-R903 IonicContact OD1-CZ 3.75Å; D844-R903 IonicContact OD1-NE 2.71Å; D844-R903 PolarHBondContact OD1-NE 3.13Å; D844-R903 IonicContact OD2-NE 2.7Å; D844-R903 IonicContact OD2-NH2 3.67Å
845	R	92.4	Very high	86.8	Confident	34 Å²	34	40.8 Å²	40.8	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-34.2	-179.8	-63	-177.9	-50.2	-131	9.9	112.6	V809 L837 F840 T841 N842 E843 L849	V809-R845 HydrophobicContact CB-CB 4.16Å; V809-R845 HydrophobicContact CG1-CB 3.97Å; V809-R845 WeakPolarHBondContact O-CD 3.3Å; V809-R845 PolarHBondContact O-NE 2.99Å; V809-R845 PolarHBondContact O-NH2 2.89Å; L837-R845 WeakPolarHBondContact O-CD 3.23Å; F840-R845 HydrophobicContact CB-CG 3.53Å; F840-R845 HydrophobicContact CD2-CG 4.14Å; F840-R845 HydrophobicContact CG-CG 4.38Å; F840-R845 PolarHBondContact O-NH1 3.37Å; T841-R845 WeakPolarHBondContact O-CG 3.22Å; T841-R845 PolarHBondContact O-N 2.89Å; N842-R845 PolarHBondContact OD1-NH2 2.99Å; E843-R845 VanDerWaalsContact C-N 3.29Å; E843-R845 PolarHBondContact O-N 3.01Å; R845-L849 WeakPolarHBondContact O-CB 3.5Å; R845-L849 PolarHBondContact O-N 2.76Å
846	S	84.5	Confident	86	Confident	29 Å²	29	37.4 Å²	37.4	20%	0.203	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-42.8	173.2	179.1	0	0	0	0	112.2	N842 E843 L849 R850 S856	N842-S846 WeakPolarHBondContact O-CB 3.28Å; N842-S846 PolarHBondContact O-N 3.12Å; E843-S846 PolarHBondContact O-N 3.28Å; S846-L849 PolarHBondContact O-N 3.27Å; S846-R850 PolarHBondContact O-N 3.48Å; S846-S856 WeakPolarHBondContact CB-O 3.42Å; S846-S856 PolarHBondContact OG-O 2.95Å
847	R	84.3	Confident	85.5	Confident	91 Å²	91	38.8 Å²	38.8	34%	0.343	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-43.8	173.5	-70.1	169.3	176.9	-103.8	5.8	111.7	E843 D844 R850 F851 A906 Y907	E843-R847 WeakPolarHBondContact O-CB 3.1Å; E843-R847 WeakPolarHBondContact O-CG 3.29Å; E843-R847 PolarHBondContact O-N 2.95Å; E843-R847 IonicContact OE1-CZ 3.49Å; E843-R847 IonicContact OE1-NE 3.63Å; E843-R847 PolarHBondContact OE1-NE 3.1Å; E843-R847 IonicContact OE1-NH2 3.36Å; E843-R847 PolarHBondContact OE1-NH2 2.96Å; D844-R847 PolarHBondContact O-N 3Å; R847-R850 PolarHBondContact O-N 3.46Å; R847-F851 PolarHBondContact O-N 3.01Å; R847-A906 HydrophobicContact CB-CB 4.32Å; R847-Y907 VanDerWaalsContact CZ-CE1 3.47Å; R847-Y907 PolarHBondContact NE-OH 2.85Å
848	F	90.7	Very high	85	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-43.4	172.8	167.5	-101.7	0	0	0	112.5	F833 L837 F840 D844 R850 F851 V852 I862 L887 L902 A906	F833-F848 HydrophobicContact CE2-CE1 4.41Å; F833-F848 HydrophobicContact CE2-CE2 4.06Å; F833-F848 AromaticContact CE2-CZ 3.58Å; F833-F848 HydrophobicContact CE2-CZ 3.58Å; F833-F848 HydrophobicContact CZ-CE1 4.08Å; F833-F848 AromaticContact CZ-CZ 3.62Å; F833-F848 HydrophobicContact CZ-CZ 3.62Å; L837-F848 HydrophobicContact CD1-CD1 4.49Å; L837-F848 HydrophobicContact CD1-CE1 4.05Å; L837-F848 HydrophobicContact CD2-CD1 3.91Å; L837-F848 HydrophobicContact CD2-CE1 4.18Å; L837-F848 HydrophobicContact CD2-CG 4.18Å; F840-F848 HydrophobicContact CD2-CB 4.48Å; F840-F848 HydrophobicContact CE2-CB 4.06Å; F840-F848 HydrophobicContact CE2-CG 4.47Å; D844-F848 VanDerWaalsContact O-CB 3.31Å; D844-F848 WeakPolarHBondContact O-CB 3.49Å; D844-F848 PolarHBondContact O-N 2.77Å; F848-R850 VanDerWaalsContact C-N 3.3Å; F848-R850 PolarHBondContact O-N 3.39Å; F848-F851 WeakPolarHBondContact O-CB 3.47Å; F848-F851 PolarHBondContact O-N 3.21Å; F848-V852 HydrophobicContact CD2-CG2 4.04Å; F848-V852 HydrophobicContact CE1-CG2 4.43Å; F848-V852 HydrophobicContact CE2-CG2 3.46Å; F848-V852 VanDerWaalsContact CE2-CG2 3.46Å; F848-V852 HydrophobicContact CZ-CG2 3.68Å; F848-V852 WeakPolarHBondContact O-CG2 3.36Å; F848-V852 PolarHBondContact O-N 2.96Å; F848-I862 HydrophobicContact CE1-CD1 4.09Å; F848-L887 HydrophobicContact CE2-CD2 3.96Å; F848-L887 HydrophobicContact CZ-CD2 4.08Å; F848-L902 HydrophobicContact CD2-CD2 4.22Å; F848-L902 HydrophobicContact CE2-CD2 3.86Å; F848-A906 HydrophobicContact CB-CB 4.34Å
849	L	87.6	Confident	84.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-41	175.8	-168.7	67.7	0	0	0	111.3	V809 L814 R845 S846 V852 T853 R855 R857 L858 A860 I862	V809-L849 HydrophobicContact CG1-CD2 4.37Å; V809-L849 HydrophobicContact CG2-CD2 4.33Å; L814-L849 HydrophobicContact CD2-CD1 4.05Å; R845-L849 WeakPolarHBondContact O-CB 3.5Å; R845-L849 PolarHBondContact O-N 2.76Å; S846-L849 PolarHBondContact O-N 3.27Å; L849-V852 PolarHBondContact O-N 2.9Å; L849-T853 HydrophobicContact CD1-CG2 4.15Å; L849-T853 WeakPolarHBondContact O-CB 3.38Å; L849-T853 PolarHBondContact O-N 3.19Å; L849-T853 PolarHBondContact O-OG1 3.15Å; L849-R855 CarbonylContact C-O 3.52Å; L849-R855 VanDerWaalsContact CG-O 3.26Å; L849-R855 WeakPolarHBondContact CG-O 3.21Å; L849-R857 VanDerWaalsContact CD2-C 3.49Å; L849-L858 HydrophobicContact CD1-CD2 3.78Å; L849-L858 HydrophobicContact CD2-CD2 3.55Å; L849-L858 HydrophobicContact CD2-CG 3.86Å; L849-L858 HydrophobicContact CG-CD2 4.33Å; L849-A860 HydrophobicContact CD1-CB 4.17Å; L849-I862 HydrophobicContact CD1-CD1 3.86Å; L849-I862 HydrophobicContact CD1-CG1 4.37Å
850	R	80.9	Confident	83.7	Confident	84 Å²	84	33.8 Å²	33.8	32%	0.317	17%	0.171	S	C	.	.	H	α-helix	trans	-64.7	-43.5	175.9	-176.4	174.1	179	148.6	4.1	111.6	S846 R847 F848 V852 G854 R855	S846-R850 PolarHBondContact O-N 3.48Å; R847-R850 PolarHBondContact O-N 3.46Å; F848-R850 VanDerWaalsContact C-N 3.3Å; F848-R850 PolarHBondContact O-N 3.39Å; R850-V852 PolarHBondContact O-N 2.96Å; R850-G854 WeakPolarHBondContact O-CA 3.44Å; R850-G854 PolarHBondContact O-N 3.42Å; R850-R855 VanDerWaalsContact CA-O 3.25Å; R850-R855 WeakPolarHBondContact CA-O 3.42Å; R850-R855 PolarHBondContact N-O 2.71Å
851	F	84	Confident	83.2	Confident	15 Å²	15	41.6 Å²	41.6	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-45.1	175.6	170.4	-112.2	0	0	0	112.3	R847 F848 P878 S880 T882 L887 A905 A906 C909	R847-F851 PolarHBondContact O-N 3.01Å; F848-F851 WeakPolarHBondContact O-CB 3.47Å; F848-F851 PolarHBondContact O-N 3.21Å; F851-P878 HydrophobicContact CE1-CG 4.28Å; F851-P878 HydrophobicContact CZ-CG 4.48Å; F851-P878 WeakPolarHBondContact CZ-O 3.31Å; F851-S880 VanDerWaalsContact CE2-OG 3.24Å; F851-S880 WeakPolarHBondContact CE2-OG 3.31Å; F851-S880 WeakPolarHBondContact O-CB 3.19Å; F851-S880 PolarHBondContact O-OG 3.03Å; F851-T882 VanDerWaalsContact O-CG2 3.31Å; F851-T882 WeakPolarHBondContact O-CG2 3.44Å; F851-L887 HydrophobicContact CE1-CD1 3.89Å; F851-A905 HydrophobicContact CE1-CB 4.03Å; F851-A905 HydrophobicContact CE2-CB 3.98Å; F851-A905 HydrophobicContact CZ-CB 3.7Å; F851-A906 HydrophobicContact CB-CB 4.24Å; F851-C909 HydrophobicContact CD2-CB 3.76Å; F851-C909 HydrophobicContact CE2-CB 3.71Å
852	V	84.3	Confident	83.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-82.9	-28.3	-176.8	-176.9	0	0	0	0	113.8	F848 L849 R850 I862 T882 S885 L887	F848-V852 HydrophobicContact CD2-CG2 4.04Å; F848-V852 HydrophobicContact CE1-CG2 4.43Å; F848-V852 HydrophobicContact CE2-CG2 3.46Å; F848-V852 VanDerWaalsContact CE2-CG2 3.46Å; F848-V852 HydrophobicContact CZ-CG2 3.68Å; F848-V852 WeakPolarHBondContact O-CG2 3.36Å; F848-V852 PolarHBondContact O-N 2.96Å; L849-V852 PolarHBondContact O-N 2.9Å; R850-V852 PolarHBondContact O-N 2.96Å; V852-I862 HydrophobicContact CG1-CG1 4.27Å; V852-I862 HydrophobicContact CG1-CG2 3.8Å; V852-T882 WeakPolarHBondContact O-CA 3.37Å; V852-S885 CarbonylContact O-C 3.47Å; V852-S885 WeakPolarHBondContact O-CA 3.47Å; V852-L887 HydrophobicContact CG1-CB 3.97Å; V852-L887 HydrophobicContact CG2-CB 4.2Å; V852-L887 HydrophobicContact CG2-CD1 4.07Å; V852-L887 HydrophobicContact CG2-CD2 4.4Å; V852-L887 HydrophobicContact CG2-CG 4.47Å
853	T	78.3	Confident	83.2	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-129.7	-4.9	-166.7	74.8	0	0	0	0	115.4	L849 R855 A860 I862	L849-T853 HydrophobicContact CD1-CG2 4.15Å; L849-T853 WeakPolarHBondContact O-CB 3.38Å; L849-T853 PolarHBondContact O-N 3.19Å; L849-T853 PolarHBondContact O-OG1 3.15Å; T853-R855 PolarHBondContact O-N 2.81Å; T853-R855 PolarHBondContact OG1-N 3.19Å; T853-R855 PolarHBondContact OG1-O 2.87Å; T853-A860 HydrophobicContact CG2-CB 3.92Å; T853-I862 HydrophobicContact CG2-CG1 3.83Å
854	G	71.9	Confident	83.7	Confident	19 Å²	19	33.7 Å²	33.7	20%	0.196	15%	0.154	C	C	.	.	S	Bend	trans	75.3	-14.8	-168	0	0	0	0	0	114.7	R850	R850-G854 WeakPolarHBondContact O-CA 3.44Å; R850-G854 PolarHBondContact O-N 3.42Å
855	R	75.9	Confident	83.8	Confident	47 Å²	47	37 Å²	37	18%	0.177	17%	0.166	C	C	.	.			trans	-102.6	133.4	-174.3	-58.9	172.1	174	-154.7	2	112	K672 E673 L849 R850 T853 P859	K672-R855 PolarHBondContact O-NH1 2.62Å; K672-R855 PolarHBondContact O-NH2 3.43Å; E673-R855 IonicContact OE1-CZ 2.98Å; E673-R855 IonicContact OE1-NH2 3.18Å; E673-R855 PolarHBondContact OE1-NH2 3.11Å; E673-R855 IonicContact OE2-CZ 3.67Å; E673-R855 VanDerWaalsContact OE2-CZ 3.26Å; E673-R855 IonicContact OE2-NE 2.64Å; E673-R855 PolarHBondContact OE2-NE 3.04Å; E673-R855 IonicContact OE2-NH2 2.7Å; E673-R855 PolarHBondContact OE2-NH2 3.45Å; L849-R855 CarbonylContact C-O 3.52Å; L849-R855 VanDerWaalsContact CG-O 3.26Å; L849-R855 WeakPolarHBondContact CG-O 3.21Å; R850-R855 VanDerWaalsContact CA-O 3.25Å; R850-R855 WeakPolarHBondContact CA-O 3.42Å; R850-R855 PolarHBondContact N-O 2.71Å; T853-R855 PolarHBondContact O-N 2.81Å; T853-R855 PolarHBondContact OG1-N 3.19Å; T853-R855 PolarHBondContact OG1-O 2.87Å; R855-P859 PolarHBondContact NH1-O 3.26Å
856	S	77.8	Confident	83.6	Confident	28 Å²	28	36.9 Å²	36.9	20%	0.196	17%	0.17	C	C	.	.	S	Bend	trans	-85.9	-11	176.9	53.5	0	0	0	0	114.7	S846	S846-S856 WeakPolarHBondContact CB-O 3.42Å; S846-S856 PolarHBondContact OG-O 2.95Å
857	R	83.8	Confident	83.4	Confident	30 Å²	30	36.3 Å²	36.3	11%	0.113	17%	0.165	C	C	.	.	S	Bend	trans	-132.2	155	-177.6	-74	-179.3	170.9	-145.9	12	111.8	E800 C804 G805 D806 L849	E800-R857 IonicContact OE1-CZ 2.69Å; E800-R857 IonicContact OE1-NH1 3.78Å; E800-R857 PolarHBondContact OE1-NH1 3.14Å; E800-R857 IonicContact OE1-NH2 3.54Å; E800-R857 PolarHBondContact OE1-NH2 3.01Å; C804-R857 WeakPolarHBondContact O-CB 3.23Å; C804-R857 WeakPolarHBondContact O-CD 3.47Å; G805-R857 WeakPolarHBondContact O-CD 3.34Å; G805-R857 PolarHBondContact O-NH1 3.21Å; D806-R857 WeakPolarHBondContact O-CB 3.24Å; D806-R857 WeakPolarHBondContact O-CG 3.38Å; L849-R857 VanDerWaalsContact CD2-C 3.49Å
858	L	83.7	Confident	82.6	Confident	4 Å²	4	40 Å²	40	2%	0.021	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-86	160.9	-179.1	-71	178.4	0	0	0	112.1	G805 D806 V809 A813 L814 L817 L849	G805-L858 CarbonylContact C-O 3.51Å; G805-L858 VanDerWaalsContact CA-O 3.25Å; G805-L858 WeakPolarHBondContact CA-O 3.16Å; D806-L858 HydrophobicContact CB-CB 4.18Å; D806-L858 PolarHBondContact N-O 3.42Å; V809-L858 HydrophobicContact CB-CD1 4.47Å; V809-L858 HydrophobicContact CG1-CD1 3.98Å; V809-L858 HydrophobicContact CG1-CG 4.13Å; V809-L858 HydrophobicContact CG2-CG 4.39Å; A813-L858 HydrophobicContact CB-CD1 3.61Å; L814-L858 HydrophobicContact CD2-CD1 4.46Å; L814-L858 HydrophobicContact CD2-CD2 4.09Å; L817-L858 HydrophobicContact CD1-CD1 4.43Å; L817-L858 HydrophobicContact CD1-CD2 3.85Å; L849-L858 HydrophobicContact CD1-CD2 3.78Å; L849-L858 HydrophobicContact CD2-CD2 3.55Å; L849-L858 HydrophobicContact CD2-CG 3.86Å; L849-L858 HydrophobicContact CG-CD2 4.33Å
859	P	81.1	Confident	81.2	Confident	69 Å²	69	45.3 Å²	45.3	45%	0.448	21%	0.211	S	C	.	.			cis	-76.1	139.7	-5.7	29.1	-37	0	0	0	114.7	F674 L817 R855	F674-P859 HydrophobicContact CZ-CG 4.44Å; L817-P859 HydrophobicContact CD1-CB 4.01Å; R855-P859 PolarHBondContact NH1-O 3.26Å
860	A	78.4	Confident	79.8	Confident	6 Å²	6	46.7 Å²	46.7	5%	0.05	23%	0.226	C	C	.	.			trans	-138.3	139.8	157.3	0	0	0	0	0	107.5	L817 L849 T853	L817-A860 WeakPolarHBondContact CB-O 3.4Å; L849-A860 HydrophobicContact CD1-CB 4.17Å; T853-A860 HydrophobicContact CG2-CB 3.92Å
861	R	82.2	Confident	78.8	Confident	168 Å²	168	50.6 Å²	50.6	63%	0.634	24%	0.241	S	C	*	.			trans	-81.1	143.6	171.8	-68.1	-177.2	-177.4	178.3	1.2	108.6	L817 Y863 S885	L817-R861 WeakPolarHBondContact O-CA 3.31Å; R861-Y863 HydrophobicContact CB-CE2 4.22Å; R861-S885 WeakPolarHBondContact O-CB 3.32Å
862	I	86.8	Confident	77.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130	176.5	-65.2	166.9	0	0	0	108	L814 L817 T818 R819 F848 L849 V852 T853 I864	L814-I862 HydrophobicContact CD2-CD1 4.02Å; L817-I862 PolarHBondContact O-N 3.11Å; L817-I862 VanDerWaalsContact O-N 3.1Å; T818-I862 CarbonylContact C-O 3.49Å; T818-I862 VanDerWaalsContact CA-O 3.3Å; T818-I862 WeakPolarHBondContact CA-O 3.33Å; T818-I862 HydrophobicContact CG2-CB 4.47Å; T818-I862 HydrophobicContact CG2-CG2 4.31Å; R819-I862 PolarHBondContact N-O 2.85Å; F848-I862 HydrophobicContact CE1-CD1 4.09Å; L849-I862 HydrophobicContact CD1-CD1 3.86Å; L849-I862 HydrophobicContact CD1-CG1 4.37Å; V852-I862 HydrophobicContact CG1-CG1 4.27Å; V852-I862 HydrophobicContact CG1-CG2 3.8Å; T853-I862 HydrophobicContact CG2-CG1 3.83Å; I862-I864 HydrophobicContact CG2-CD1 4.12Å; I862-I864 HydrophobicContact CG2-CG1 3.68Å
863	Y	88.6	Confident	76.4	Confident	74 Å²	74	60.1 Å²	60.1	29%	0.29	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.7	169.5	-61	-86.6	0	0	0	108.7	R819 E821 R861 S885 T886 L887	R819-Y863 HydrophobicContact CB-CD1 4.12Å; R819-Y863 HydrophobicContact CB-CE1 4.41Å; R819-Y863 HydrophobicContact CG-CE1 4.42Å; E821-Y863 HydrophobicContact CG-CD1 4.4Å; R861-Y863 HydrophobicContact CB-CE2 4.22Å; Y863-S885 PolarHBondContact N-O 2.83Å; Y863-T886 CarbonylContact O-C 3.5Å; Y863-T886 VanDerWaalsContact O-CA 3.25Å; Y863-T886 WeakPolarHBondContact O-CA 3.29Å; Y863-L887 PolarHBondContact O-N 3.12Å
864	I	91.8	Very high	75.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.2	178.9	-50.6	-174	0	0	0	107.9	T818 R819 F820 E821 F823 F833 I862 L887 L889	T818-I864 HydrophobicContact CG2-CD1 3.49Å; T818-I864 VanDerWaalsContact CG2-CD1 3.49Å; T818-I864 HydrophobicContact CG2-CG1 3.87Å; R819-I864 PolarHBondContact O-N 3.13Å; F820-I864 WeakPolarHBondContact CA-O 3.45Å; F820-I864 HydrophobicContact CD1-CB 3.85Å; F820-I864 HydrophobicContact CD1-CD1 4.28Å; F820-I864 HydrophobicContact CD1-CG2 4.05Å; F820-I864 HydrophobicContact CE1-CB 4.05Å; F820-I864 HydrophobicContact CE1-CD1 3.63Å; F820-I864 HydrophobicContact CE1-CG1 4.32Å; F820-I864 HydrophobicContact CE1-CG2 4.08Å; F820-I864 HydrophobicContact CZ-CD1 3.8Å; E821-I864 PolarHBondContact N-O 3.11Å; F823-I864 HydrophobicContact CE2-CB 4.4Å; F823-I864 HydrophobicContact CE2-CG2 3.93Å; F823-I864 WeakPolarHBondContact CE2-O 3.37Å; F823-I864 HydrophobicContact CZ-CG2 4.06Å; F833-I864 HydrophobicContact CD1-CD1 4.25Å; F833-I864 HydrophobicContact CD2-CD1 4.28Å; F833-I864 HydrophobicContact CE1-CD1 3.62Å; F833-I864 HydrophobicContact CE2-CD1 3.68Å; F833-I864 HydrophobicContact CZ-CD1 3.3Å; I862-I864 HydrophobicContact CG2-CD1 4.12Å; I862-I864 HydrophobicContact CG2-CG1 3.68Å; I864-L887 WeakPolarHBondContact CA-O 3.41Å; I864-L887 HydrophobicContact CD1-CD2 4.12Å; I864-L887 HydrophobicContact CG1-CB 4.28Å; I864-L887 HydrophobicContact CG1-CD2 4.34Å; I864-L887 HydrophobicContact CG2-CB 4.5Å; I864-L887 HydrophobicContact CG2-CD2 4.34Å; I864-L889 HydrophobicContact CG2-CB 3.84Å; I864-L889 HydrophobicContact CG2-CD2 4.12Å
865	Y	90.6	Very high	76.2	Confident	77 Å²	77	68.1 Å²	68.1	30%	0.302	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.9	174.4	-69.6	-94.5	0	0	0	110	E821 F823 T886 L887 F888 L889	E821-Y865 HydrophobicContact CB-CD1 3.85Å; E821-Y865 HydrophobicContact CB-CE1 3.41Å; E821-Y865 VanDerWaalsContact CB-CE1 3.41Å; E821-Y865 HydrophobicContact CB-CE2 4.37Å; E821-Y865 HydrophobicContact CB-CG 4.49Å; E821-Y865 HydrophobicContact CG-CE1 4.15Å; E821-Y865 HydrophobicContact CG-CE2 4.43Å; F823-Y865 VanDerWaalsContact CE2-C 3.4Å; Y865-T886 HydrophobicContact CD2-CG2 3.5Å; Y865-T886 HydrophobicContact CE2-CG2 3.81Å; Y865-L887 PolarHBondContact N-O 3.08Å; Y865-F888 HydrophobicContact CD2-CE1 4.43Å; Y865-F888 HydrophobicContact CG-CE1 4.33Å; Y865-L889 PolarHBondContact O-N 2.74Å
866	P	87.5	Confident	76.5	Confident	32 Å²	32	67.3 Å²	67.3	21%	0.208	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	145	163.8	28.3	-36.3	0	0	0	111	E821 D822 F823 R829	E821-P866 WeakPolarHBondContact O-CD 3.43Å; D822-P866 HydrophobicContact CB-CG 4.08Å; F823-P866 HydrophobicContact CZ-CB 4.46Å; R829-P866 VanDerWaalsContact NH1-CB 3.26Å
867	D	81.6	Confident	77	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.091	34%	0.341	C	S	.	.			trans	-56.8	136.4	165.4	174.4	14.1	0	0	0	111	L869 G870 T873 L889 P890	D867-L869 PolarHBondContact O-N 2.93Å; D867-L869 PolarHBondContact OD1-N 3.31Å; D867-G870 PolarHBondContact O-N 3.41Å; D867-T873 PolarHBondContact OD2-OG1 2.96Å; D867-L889 PolarHBondContact N-O 2.9Å; D867-P890 HydrophobicContact CB-CB 4.4Å; D867-P890 HydrophobicContact CB-CG 4.3Å
868	K	66.2	Low	77.2	Confident	168 Å²	168	68.4 Å²	68.4	73%	0.73	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-19.5	-178.8	-62.4	170.4	-171.6	158.1	0	112.8	G870	K868-G870 VanDerWaalsContact C-N 3.32Å
869	L	62.8	Low	77.4	Confident	113 Å²	113	73.8 Å²	73.8	59%	0.592	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.8	179.1	-67.8	159	0	0	0	113.6	D867 T873	D867-L869 PolarHBondContact O-N 2.93Å; D867-L869 PolarHBondContact OD1-N 3.31Å; L869-T873 HydrophobicContact CB-CG2 3.51Å; L869-T873 HydrophobicContact CD1-CG2 3.93Å; L869-T873 HydrophobicContact CG-CG2 4.28Å
870	G	58.4	Low	77.6	Confident	29 Å²	29	72.4 Å²	72.4	30%	0.299	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-140.7	168.8	0	0	0	0	0	114.8	D867 K868 T873	D867-G870 PolarHBondContact O-N 3.41Å; K868-G870 VanDerWaalsContact C-N 3.32Å; G870-T873 PolarHBondContact O-OG1 3.07Å
871	Y	59.5	Low	77.7	Confident	166 Å²	166	74.5 Å²	74.5	65%	0.651	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-4.3	-173	-73.6	-80.8	0	0	0	114.5	H891	Y871-H891 HydrophobicContact CD1-CB 4.29Å; Y871-H891 AromaticContact CD1-CD2 3.9Å; Y871-H891 AromaticContact CD1-CG 3.78Å; Y871-H891 AromaticContact CE1-CE1 3.84Å; Y871-H891 AromaticContact CE1-CG 3.99Å; Y871-H891 AromaticContact CE1-ND1 3.72Å
872	E	57.5	Low	77.3	Confident	185 Å²	185	68.2 Å²	68.2	86%	0.864	35%	0.35	S	S	*	.	S	Bend	trans	-84.8	-17.6	-174.5	-58.1	-167.9	161.5	0	0	113	T874	E872-T874 PolarHBondContact O-N 2.83Å
873	T	60.2	Low	76.3	Confident	29 Å²	29	71.3 Å²	71.3	18%	0.178	37%	0.371	C	S	.	.			trans	-96	41.2	-171.3	47	0	0	0	0	114.9	D867 L869 G870 D875 A876	D867-T873 PolarHBondContact OD2-OG1 2.96Å; L869-T873 HydrophobicContact CB-CG2 3.51Å; L869-T873 HydrophobicContact CD1-CG2 3.93Å; L869-T873 HydrophobicContact CG-CG2 4.28Å; G870-T873 PolarHBondContact O-OG1 3.07Å; T873-D875 PolarHBondContact O-N 2.77Å; T873-A876 WeakPolarHBondContact O-CB 3.49Å; T873-A876 PolarHBondContact O-N 2.89Å; T873-A876 VanDerWaalsContact O-N 3.11Å
874	T	67.1	Low	75.5	Confident	67 Å²	67	70.7 Å²	70.7	41%	0.411	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.8	-175.2	61	0	0	0	0	115.7	E872 H891	E872-T874 PolarHBondContact O-N 2.83Å; T874-H891 WeakPolarHBondContact CA-O 3.29Å; T874-H891 WeakPolarHBondContact CG2-O 3.37Å
875	D	77.7	Confident	75.1	Confident	121 Å²	121	72 Å²	72	65%	0.647	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	5.6	-178.7	-151.2	11.1	0	0	0	113.1	T873 K901	T873-D875 PolarHBondContact O-N 2.77Å; D875-K901 PolarHBondContact O-NZ 2.73Å; D875-K901 WeakPolarHBondContact OD1-CE 3.26Å; D875-K901 IonicContact OD1-NZ 3.07Å; D875-K901 PolarHBondContact OD1-NZ 3.1Å
876	A	82.9	Confident	74.9	Confident	31 Å²	31	68.7 Å²	68.7	26%	0.256	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-69.2	152.4	179.3	0	0	0	0	0	112.8	T873 P890 Y892	T873-A876 WeakPolarHBondContact O-CB 3.49Å; T873-A876 PolarHBondContact O-N 2.89Å; T873-A876 VanDerWaalsContact O-N 3.11Å; A876-P890 HydrophobicContact CB-CB 4.42Å; A876-P890 HydrophobicContact CB-CG 4.18Å; A876-Y892 WeakPolarHBondContact O-CE1 3.38Å; A876-Y892 PolarHBondContact O-OH 3.26Å
877	L	87.8	Confident	75.2	Confident	73 Å²	73	67.2 Å²	67.2	38%	0.382	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-74.8	150.6	164.2	-71.1	175.5	0	0	0	109.5	K901 Y904	L877-K901 HydrophobicContact CD2-CB 4.5Å; L877-K901 HydrophobicContact CD2-CD 3.9Å; L877-Y904 HydrophobicContact CD1-CD1 3.89Å; L877-Y904 HydrophobicContact CD1-CE1 3.93Å; L877-Y904 HydrophobicContact CD2-CD1 3.67Å; L877-Y904 HydrophobicContact CD2-CE1 4.46Å; L877-Y904 HydrophobicContact CD2-CG 4.39Å; L877-Y904 HydrophobicContact CG-CD1 4.46Å
878	P	89.3	Confident	75.6	Confident	7 Å²	7	67.8 Å²	67.8	5%	0.045	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-73.1	143.7	174.8	32.2	-32.9	0	0	0	109.9	F851 L887 Y892 L902 A905	F851-P878 HydrophobicContact CE1-CG 4.28Å; F851-P878 HydrophobicContact CZ-CG 4.48Å; F851-P878 WeakPolarHBondContact CZ-O 3.31Å; P878-L887 HydrophobicContact CB-CD1 3.9Å; P878-Y892 VanDerWaalsContact CD-OH 3.29Å; P878-Y892 WeakPolarHBondContact CD-OH 3.42Å; P878-L902 HydrophobicContact CB-CD2 4.46Å; P878-L902 HydrophobicContact CG-CD2 4.05Å; P878-A905 HydrophobicContact CG-CB 3.93Å
879	E	86.4	Confident	76.8	Confident	117 Å²	117	59.8 Å²	59.8	55%	0.547	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.3	177.8	-64.7	-179.7	179.8	0	0	110.8	F888	E879-F888 HydrophobicContact CB-CB 4.29Å; E879-F888 HydrophobicContact CB-CD2 4.2Å; E879-F888 PolarHBondContact N-O 2.85Å; E879-F888 PolarHBondContact O-N 3.06Å
880	S	85.5	Confident	78.2	Confident	41 Å²	41	54.5 Å²	54.5	29%	0.287	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.8	179.3	60	0	0	0	0	112.3	F851 T886	F851-S880 VanDerWaalsContact CE2-OG 3.24Å; F851-S880 WeakPolarHBondContact CE2-OG 3.31Å; F851-S880 WeakPolarHBondContact O-CB 3.19Å; F851-S880 PolarHBondContact O-OG 3.03Å; S880-T886 CarbonylContact C-O 3.56Å; S880-T886 VanDerWaalsContact CA-O 3.29Å; S880-T886 WeakPolarHBondContact CA-O 3.18Å
881	S	81.4	Confident	79.6	Confident	50 Å²	50	55 Å²	55	35%	0.35	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	90.1	167.9	-55.8	0	0	0	0	109.1	C883 S884 S885 T886	S881-C883 PolarHBondContact O-N 2.84Å; S881-S884 CarbonylContact O-C 3.57Å; S881-S884 PolarHBondContact O-N 3.05Å; S881-S884 VanDerWaalsContact O-N 3.14Å; S881-S884 PolarHBondContact O-OG 2.82Å; S881-S885 PolarHBondContact O-N 3.12Å; S881-T886 PolarHBondContact N-O 3.34Å; S881-T886 PolarHBondContact O-N 3.21Å
882	T	72.9	Confident	81	Confident	35 Å²	35	47.3 Å²	47.3	22%	0.215	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-56.4	-36.3	-175.5	53	0	0	0	0	113.1	F851 V852 S884 S885	F851-T882 VanDerWaalsContact O-CG2 3.31Å; F851-T882 WeakPolarHBondContact O-CG2 3.44Å; V852-T882 WeakPolarHBondContact O-CA 3.37Å; T882-S884 VanDerWaalsContact C-N 3.29Å; T882-S884 PolarHBondContact O-N 3.19Å; T882-S885 PolarHBondContact O-N 3.21Å
883	C	66.8	Low	82.5	Confident	65 Å²	65	42 Å²	42	44%	0.439	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58.8	-36.5	178.8	-65.5	0	0	0	0	113.4	S881	S881-C883 PolarHBondContact O-N 2.84Å
884	S	72.3	Confident	84	Confident	62 Å²	62	42.7 Å²	42.7	43%	0.434	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-102	8.1	174.1	53.9	0	0	0	0	112.9	S881 T882 T886	S881-S884 CarbonylContact O-C 3.57Å; S881-S884 PolarHBondContact O-N 3.05Å; S881-S884 VanDerWaalsContact O-N 3.14Å; S881-S884 PolarHBondContact O-OG 2.82Å; T882-S884 VanDerWaalsContact C-N 3.29Å; T882-S884 PolarHBondContact O-N 3.19Å; S884-T886 VanDerWaalsContact CB-OG1 3.25Å; S884-T886 WeakPolarHBondContact CB-OG1 3.48Å; S884-T886 PolarHBondContact O-N 3.36Å; S884-T886 PolarHBondContact O-OG1 3.24Å; S884-T886 WeakPolarHBondContact OG-CB 3.48Å; S884-T886 PolarHBondContact OG-OG1 2.83Å
885	S	83.1	Confident	85.1	Confident	26 Å²	26	39.8 Å²	39.8	18%	0.182	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	44.5	-173.8	-63.1	0	0	0	0	113	V852 R861 Y863 S881 T882	V852-S885 CarbonylContact O-C 3.47Å; V852-S885 WeakPolarHBondContact O-CA 3.47Å; R861-S885 WeakPolarHBondContact O-CB 3.32Å; Y863-S885 PolarHBondContact N-O 2.83Å; S881-S885 PolarHBondContact O-N 3.12Å; T882-S885 PolarHBondContact O-N 3.21Å
886	T	86.9	Confident	85.9	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142.1	-169.3	-49.8	0	0	0	0	112.3	Y863 Y865 S880 S881 S884 F888	Y863-T886 CarbonylContact O-C 3.5Å; Y863-T886 VanDerWaalsContact O-CA 3.25Å; Y863-T886 WeakPolarHBondContact O-CA 3.29Å; Y865-T886 HydrophobicContact CD2-CG2 3.5Å; Y865-T886 HydrophobicContact CE2-CG2 3.81Å; S880-T886 CarbonylContact C-O 3.56Å; S880-T886 VanDerWaalsContact CA-O 3.29Å; S880-T886 WeakPolarHBondContact CA-O 3.18Å; S881-T886 PolarHBondContact N-O 3.34Å; S881-T886 PolarHBondContact O-N 3.21Å; S884-T886 VanDerWaalsContact CB-OG1 3.25Å; S884-T886 WeakPolarHBondContact CB-OG1 3.48Å; S884-T886 PolarHBondContact O-N 3.36Å; S884-T886 PolarHBondContact O-OG1 3.24Å; S884-T886 WeakPolarHBondContact OG-CB 3.48Å; S884-T886 PolarHBondContact OG-OG1 2.83Å; T886-F888 HydrophobicContact CG2-CE1 4.36Å; T886-F888 HydrophobicContact CG2-CE2 4.16Å; T886-F888 HydrophobicContact CG2-CZ 3.96Å
887	L	92.1	Very high	86.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.7	170.8	178.7	69.7	0	0	0	109.4	F833 F848 F851 V852 Y863 I864 Y865 P878 L902	F833-L887 HydrophobicContact CD2-CD2 4.37Å; F833-L887 HydrophobicContact CE2-CD2 3.71Å; F848-L887 HydrophobicContact CE2-CD2 3.96Å; F848-L887 HydrophobicContact CZ-CD2 4.08Å; F851-L887 HydrophobicContact CE1-CD1 3.89Å; V852-L887 HydrophobicContact CG1-CB 3.97Å; V852-L887 HydrophobicContact CG2-CB 4.2Å; V852-L887 HydrophobicContact CG2-CD1 4.07Å; V852-L887 HydrophobicContact CG2-CD2 4.4Å; V852-L887 HydrophobicContact CG2-CG 4.47Å; Y863-L887 PolarHBondContact O-N 3.12Å; I864-L887 WeakPolarHBondContact CA-O 3.41Å; I864-L887 HydrophobicContact CD1-CD2 4.12Å; I864-L887 HydrophobicContact CG1-CB 4.28Å; I864-L887 HydrophobicContact CG1-CD2 4.34Å; I864-L887 HydrophobicContact CG2-CB 4.5Å; I864-L887 HydrophobicContact CG2-CD2 4.34Å; Y865-L887 PolarHBondContact N-O 3.08Å; P878-L887 HydrophobicContact CB-CD1 3.9Å; L887-L902 HydrophobicContact CD2-CD2 4.34Å
888	F	91.3	Very high	86.6	Confident	29 Å²	29	37.1 Å²	37.1	13%	0.127	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.3	165.6	-59.5	-76.8	0	0	0	108.1	Y865 E879 T886 P890	Y865-F888 HydrophobicContact CD2-CE1 4.43Å; Y865-F888 HydrophobicContact CG-CE1 4.33Å; E879-F888 HydrophobicContact CB-CB 4.29Å; E879-F888 HydrophobicContact CB-CD2 4.2Å; E879-F888 PolarHBondContact N-O 2.85Å; E879-F888 PolarHBondContact O-N 3.06Å; T886-F888 HydrophobicContact CG2-CE1 4.36Å; T886-F888 HydrophobicContact CG2-CE2 4.16Å; T886-F888 HydrophobicContact CG2-CZ 3.96Å; F888-P890 WeakPolarHBondContact O-CD 3.36Å
889	L	91.8	Very high	86.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	109.5	-170.8	-176.4	63.7	0	0	0	111.1	F823 R829 F833 I864 Y865 D867 Y892	F823-L889 HydrophobicContact CZ-CB 4.3Å; F823-L889 HydrophobicContact CZ-CD2 4.28Å; R829-L889 HydrophobicContact CB-CD2 4Å; F833-L889 HydrophobicContact CB-CD2 4.04Å; F833-L889 HydrophobicContact CD2-CD1 4.4Å; F833-L889 HydrophobicContact CD2-CD2 4.28Å; F833-L889 HydrophobicContact CG-CD2 4.41Å; I864-L889 HydrophobicContact CG2-CB 3.84Å; I864-L889 HydrophobicContact CG2-CD2 4.12Å; Y865-L889 PolarHBondContact O-N 2.74Å; D867-L889 PolarHBondContact N-O 2.9Å; L889-Y892 HydrophobicContact CD1-CD2 4.38Å; L889-Y892 HydrophobicContact CD1-CE2 4.04Å
890	P	90.8	Very high	87.2	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.013	22%	0.222	C	C	.	.			trans	-64.1	164.1	175.8	-24.5	35.9	0	0	0	113.7	D867 A876 F888 Y892	D867-P890 HydrophobicContact CB-CB 4.4Å; D867-P890 HydrophobicContact CB-CG 4.3Å; A876-P890 HydrophobicContact CB-CB 4.42Å; A876-P890 HydrophobicContact CB-CG 4.18Å; F888-P890 WeakPolarHBondContact O-CD 3.36Å; P890-Y892 HydrophobicContact CB-CE1 4.03Å; P890-Y892 HydrophobicContact CB-CE2 4.31Å; P890-Y892 HydrophobicContact CG-CE1 4.46Å; P890-Y892 HydrophobicContact CG-CE2 4.46Å; P890-Y892 WeakPolarHBondContact CG-OH 3.41Å; P890-Y892 PolarHBondContact O-N 3.43Å; P890-Y892 VanDerWaalsContact O-N 3.13Å
891	H	88.3	Confident	87.6	Confident	40 Å²	40	37.4 Å²	37.4	19%	0.185	22%	0.217	C	C	.	.			trans	-83.8	84.6	178	-169.8	81.2	0	0	0	112	Y871 T874	Y871-H891 HydrophobicContact CD1-CB 4.29Å; Y871-H891 AromaticContact CD1-CD2 3.9Å; Y871-H891 AromaticContact CD1-CG 3.78Å; Y871-H891 AromaticContact CE1-CE1 3.84Å; Y871-H891 AromaticContact CE1-CG 3.99Å; Y871-H891 AromaticContact CE1-ND1 3.72Å; T874-H891 WeakPolarHBondContact CA-O 3.29Å; T874-H891 WeakPolarHBondContact CG2-O 3.37Å
892	Y	90	Very high	88.1	Confident	4 Å²	4	35 Å²	35	2%	0.016	20%	0.201	C	C	.	.			trans	-74.7	138.6	178.2	-62.4	-55.3	0	0	0	113.6	Y832 A876 P878 L889 P890 S894 V897 C898 K901	Y832-Y892 WeakPolarHBondContact CD2-O 3.41Å; Y832-Y892 WeakPolarHBondContact CE2-O 3.03Å; A876-Y892 WeakPolarHBondContact O-CE1 3.38Å; A876-Y892 PolarHBondContact O-OH 3.26Å; P878-Y892 VanDerWaalsContact CD-OH 3.29Å; P878-Y892 WeakPolarHBondContact CD-OH 3.42Å; L889-Y892 HydrophobicContact CD1-CD2 4.38Å; L889-Y892 HydrophobicContact CD1-CE2 4.04Å; P890-Y892 HydrophobicContact CB-CE1 4.03Å; P890-Y892 HydrophobicContact CB-CE2 4.31Å; P890-Y892 HydrophobicContact CG-CE1 4.46Å; P890-Y892 HydrophobicContact CG-CE2 4.46Å; P890-Y892 WeakPolarHBondContact CG-OH 3.41Å; P890-Y892 PolarHBondContact O-N 3.43Å; P890-Y892 VanDerWaalsContact O-N 3.13Å; Y892-S894 PolarHBondContact O-N 3.3Å; Y892-V897 HydrophobicContact CD1-CG1 3.82Å; Y892-V897 HydrophobicContact CG-CG1 4.32Å; Y892-C898 HydrophobicContact CD2-CB 3.67Å; Y892-C898 HydrophobicContact CG-CB 4.14Å; Y892-K901 HydrophobicContact CD1-CG 4.24Å; Y892-K901 HydrophobicContact CE1-CB 3.93Å; Y892-K901 HydrophobicContact CE1-CD 4.35Å; Y892-K901 HydrophobicContact CE1-CG 3.66Å; Y892-K901 HydrophobicContact CE2-CB 4.33Å
893	A	88	Confident	89.1	Confident	74 Å²	74	36.4 Å²	36.4	61%	0.612	20%	0.202	S	C	*	.	S	Bend	trans	-67.4	-15	-178.4	0	0	0	0	0	114.8
894	S	91.3	Very high	90.2	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	21%	0.206	S	C	.	.	S	Bend	trans	-162	163	173.4	64.3	0	0	0	0	112	Y892 K896 V897 C898	Y892-S894 PolarHBondContact O-N 3.3Å; S894-K896 PolarHBondContact O-N 2.76Å; S894-V897 PolarHBondContact O-N 3Å; S894-V897 PolarHBondContact OG-N 2.87Å; S894-C898 PolarHBondContact O-N 2.96Å
895	A	91.3	Very high	91	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	19%	0.185	C	C	.	.	H	α-helix	trans	-52.7	-39.4	170.1	0	0	0	0	0	113.3	Y832 E835 C898 E899	Y832-A895 HydrophobicContact CD1-CB 3.91Å; Y832-A895 HydrophobicContact CG-CB 4.21Å; E835-A895 HydrophobicContact CB-CB 3.82Å; E835-A895 HydrophobicContact CG-CB 3.78Å; E835-A895 VanDerWaalsContact OE2-CB 3.31Å; E835-A895 WeakPolarHBondContact OE2-CB 3.36Å; A895-C898 WeakPolarHBondContact O-CB 3.23Å; A895-C898 PolarHBondContact O-N 3.17Å; A895-E899 WeakPolarHBondContact O-CB 3.46Å; A895-E899 PolarHBondContact O-N 3.21Å
896	K	93.3	Very high	91.2	Very high	130 Å²	130	36 Å²	36	57%	0.565	18%	0.182	S	C	*	.	H	α-helix	trans	-64.3	-42.2	178.1	-178.9	177.2	169.4	-177.1	0	112.5	S894 C898 E899 E900	S894-K896 PolarHBondContact O-N 2.76Å; K896-C898 VanDerWaalsContact C-N 3.33Å; K896-E899 WeakPolarHBondContact O-CB 3.08Å; K896-E899 PolarHBondContact O-N 2.98Å; K896-E900 WeakPolarHBondContact CE-OE1 3.45Å; K896-E900 IonicContact NZ-OE1 3.15Å; K896-E900 PolarHBondContact NZ-OE1 2.87Å; K896-E900 WeakPolarHBondContact O-CG 3.36Å; K896-E900 PolarHBondContact O-N 3Å
897	V	92.6	Very high	90.9	Very high	38 Å²	38	39.6 Å²	39.6	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-39.4	176.3	175.3	0	0	0	0	110.4	Y892 S894 E899 E900 K901	Y892-V897 HydrophobicContact CD1-CG1 3.82Å; Y892-V897 HydrophobicContact CG-CG1 4.32Å; S894-V897 PolarHBondContact O-N 3Å; S894-V897 PolarHBondContact OG-N 2.87Å; V897-E899 VanDerWaalsContact C-N 3.34Å; V897-E899 PolarHBondContact O-N 2.95Å; V897-E900 PolarHBondContact O-N 3.4Å; V897-K901 HydrophobicContact CG1-CG 4.15Å; V897-K901 WeakPolarHBondContact O-CB 3.19Å; V897-K901 WeakPolarHBondContact O-CG 3.41Å; V897-K901 PolarHBondContact O-N 2.84Å
898	C	93.2	Very high	90.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-46.2	172.1	-169.3	0	0	0	0	111.4	A836 Y892 S894 A895 K896 K901 L902	A836-C898 HydrophobicContact CB-CB 4.46Å; Y892-C898 HydrophobicContact CD2-CB 3.67Å; Y892-C898 HydrophobicContact CG-CB 4.14Å; S894-C898 PolarHBondContact O-N 2.96Å; A895-C898 WeakPolarHBondContact O-CB 3.23Å; A895-C898 PolarHBondContact O-N 3.17Å; K896-C898 VanDerWaalsContact C-N 3.33Å; C898-K901 PolarHBondContact O-N 2.7Å; C898-L902 VanDerWaalsContact O-CB 3.25Å; C898-L902 WeakPolarHBondContact O-CB 3.13Å; C898-L902 VanDerWaalsContact O-CG 3.23Å; C898-L902 WeakPolarHBondContact O-CG 3.39Å; C898-L902 PolarHBondContact O-N 2.79Å; C898-L902 VanDerWaalsContact SG-CD1 3.53Å
899	E	94.6	Very high	89.2	Confident	29 Å²	29	45.6 Å²	45.6	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-48.3	176.9	-166.3	-163.5	138.9	0	0	112.6	A836 N839 F840 A895 K896 V897 R903	A836-E899 HydrophobicContact CB-CB 3.69Å; A836-E899 HydrophobicContact CB-CG 4.15Å; N839-E899 HydrophobicContact CB-CG 4.45Å; N839-E899 VanDerWaalsContact CB-OE2 3.28Å; N839-E899 WeakPolarHBondContact CB-OE2 3.48Å; N839-E899 PolarHBondContact ND2-OE2 2.85Å; F840-E899 HydrophobicContact CD1-CG 3.87Å; F840-E899 HydrophobicContact CE1-CB 4.48Å; F840-E899 HydrophobicContact CE1-CG 3.55Å; A895-E899 WeakPolarHBondContact O-CB 3.46Å; A895-E899 PolarHBondContact O-N 3.21Å; K896-E899 WeakPolarHBondContact O-CB 3.08Å; K896-E899 PolarHBondContact O-N 2.98Å; V897-E899 VanDerWaalsContact C-N 3.34Å; V897-E899 PolarHBondContact O-N 2.95Å; E899-R903 VanDerWaalsContact O-CB 3.25Å; E899-R903 WeakPolarHBondContact O-CB 3.48Å; E899-R903 PolarHBondContact O-N 3.16Å; E899-R903 IonicContact OE1-CZ 3.68Å; E899-R903 VanDerWaalsContact OE1-CZ 3.28Å; E899-R903 IonicContact OE1-NH1 2.69Å; E899-R903 PolarHBondContact OE1-NH1 2.88Å; E899-R903 IonicContact OE1-NH2 2.7Å; E899-R903 PolarHBondContact OE1-NH2 3.29Å
900	E	93.6	Very high	87.5	Confident	99 Å²	99	51.1 Å²	51.1	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-42.9	179.2	-72.6	174	167.3	0	0	111.7	K896 V897 Y904	K896-E900 WeakPolarHBondContact CE-OE1 3.45Å; K896-E900 IonicContact NZ-OE1 3.15Å; K896-E900 PolarHBondContact NZ-OE1 2.87Å; K896-E900 WeakPolarHBondContact O-CG 3.36Å; K896-E900 PolarHBondContact O-N 3Å; V897-E900 PolarHBondContact O-N 3.4Å; E900-Y904 VanDerWaalsContact O-CB 3.32Å; E900-Y904 WeakPolarHBondContact O-CB 3.48Å; E900-Y904 PolarHBondContact O-N 3.13Å
901	K	93.5	Very high	85.6	Confident	42 Å²	42	55.2 Å²	55.2	18%	0.183	30%	0.3	C	S	.	.	H	α-helix	trans	-71.7	-43.9	-179.9	-64.9	-78.7	179.3	175.2	0	112.7	D875 L877 Y892 V897 C898 Y904 A905	D875-K901 PolarHBondContact O-NZ 2.73Å; D875-K901 WeakPolarHBondContact OD1-CE 3.26Å; D875-K901 IonicContact OD1-NZ 3.07Å; D875-K901 PolarHBondContact OD1-NZ 3.1Å; L877-K901 HydrophobicContact CD2-CB 4.5Å; L877-K901 HydrophobicContact CD2-CD 3.9Å; Y892-K901 HydrophobicContact CD1-CG 4.24Å; Y892-K901 HydrophobicContact CE1-CB 3.93Å; Y892-K901 HydrophobicContact CE1-CD 4.35Å; Y892-K901 HydrophobicContact CE1-CG 3.66Å; Y892-K901 HydrophobicContact CE2-CB 4.33Å; V897-K901 HydrophobicContact CG1-CG 4.15Å; V897-K901 WeakPolarHBondContact O-CB 3.19Å; V897-K901 WeakPolarHBondContact O-CG 3.41Å; V897-K901 PolarHBondContact O-N 2.84Å; C898-K901 PolarHBondContact O-N 2.7Å; K901-Y904 PolarHBondContact O-N 2.73Å; K901-A905 PolarHBondContact O-N 2.74Å
902	L	93.6	Very high	83.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-45.2	175.1	-75.5	167.8	0	0	0	111.3	F833 A836 F840 F848 P878 L887 C898 A905 A906	F833-L902 HydrophobicContact CD2-CD1 3.98Å; F833-L902 HydrophobicContact CE2-CD1 4.38Å; A836-L902 HydrophobicContact CB-CD1 4.18Å; F840-L902 HydrophobicContact CE2-CB 4.41Å; F840-L902 HydrophobicContact CZ-CB 3.76Å; F848-L902 HydrophobicContact CD2-CD2 4.22Å; F848-L902 HydrophobicContact CE2-CD2 3.86Å; P878-L902 HydrophobicContact CB-CD2 4.46Å; P878-L902 HydrophobicContact CG-CD2 4.05Å; L887-L902 HydrophobicContact CD2-CD2 4.34Å; C898-L902 VanDerWaalsContact O-CB 3.25Å; C898-L902 WeakPolarHBondContact O-CB 3.13Å; C898-L902 VanDerWaalsContact O-CG 3.23Å; C898-L902 WeakPolarHBondContact O-CG 3.39Å; C898-L902 PolarHBondContact O-N 2.79Å; C898-L902 VanDerWaalsContact SG-CD1 3.53Å; L902-A905 PolarHBondContact O-N 3.29Å; L902-A906 VanDerWaalsContact O-CB 3.28Å; L902-A906 WeakPolarHBondContact O-CB 3.36Å; L902-A906 PolarHBondContact O-N 3.36Å
903	R	92.6	Very high	81.6	Confident	65 Å²	65	64.2 Å²	64.2	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-41	178.7	-171.7	-178.5	-73.5	113	-8.2	110.9	F840 D844 E899 A906 Y907	F840-R903 HydrophobicContact CE1-CB 3.97Å; F840-R903 HydrophobicContact CZ-CB 3.89Å; D844-R903 WeakPolarHBondContact OD1-CD 3.01Å; D844-R903 IonicContact OD1-CZ 3.75Å; D844-R903 IonicContact OD1-NE 2.71Å; D844-R903 PolarHBondContact OD1-NE 3.13Å; D844-R903 IonicContact OD2-NE 2.7Å; D844-R903 IonicContact OD2-NH2 3.67Å; E899-R903 VanDerWaalsContact O-CB 3.25Å; E899-R903 WeakPolarHBondContact O-CB 3.48Å; E899-R903 PolarHBondContact O-N 3.16Å; E899-R903 IonicContact OE1-CZ 3.68Å; E899-R903 VanDerWaalsContact OE1-CZ 3.28Å; E899-R903 IonicContact OE1-NH1 2.69Å; E899-R903 PolarHBondContact OE1-NH1 2.88Å; E899-R903 IonicContact OE1-NH2 2.7Å; E899-R903 PolarHBondContact OE1-NH2 3.29Å; R903-A906 PolarHBondContact O-N 3.42Å; R903-Y907 HydrophobicContact CG-CD2 3.87Å; R903-Y907 HydrophobicContact CG-CE2 3.82Å; R903-Y907 WeakPolarHBondContact O-CB 3.26Å; R903-Y907 VanDerWaalsContact O-CD2 3.24Å; R903-Y907 WeakPolarHBondContact O-CD2 3.37Å; R903-Y907 PolarHBondContact O-N 3.21Å; R903-Y907 VanDerWaalsContact O-N 3.11Å
904	Y	91.3	Very high	79.3	Confident	132 Å²	132	65.6 Å²	65.6	52%	0.518	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-49.8	176.6	-173.5	-87.9	0	0	0	111.9	L877 E900 K901 A906 Y907 N908	L877-Y904 HydrophobicContact CD1-CD1 3.89Å; L877-Y904 HydrophobicContact CD1-CE1 3.93Å; L877-Y904 HydrophobicContact CD2-CD1 3.67Å; L877-Y904 HydrophobicContact CD2-CE1 4.46Å; L877-Y904 HydrophobicContact CD2-CG 4.39Å; L877-Y904 HydrophobicContact CG-CD1 4.46Å; E900-Y904 VanDerWaalsContact O-CB 3.32Å; E900-Y904 WeakPolarHBondContact O-CB 3.48Å; E900-Y904 PolarHBondContact O-N 3.13Å; K901-Y904 PolarHBondContact O-N 2.73Å; Y904-A906 PolarHBondContact O-N 2.9Å; Y904-Y907 PolarHBondContact O-N 2.83Å; Y904-N908 HydrophobicContact CE1-CB 4.27Å; Y904-N908 PolarHBondContact O-N 2.85Å; Y904-N908 VanDerWaalsContact O-N 3.12Å; Y904-N908 PolarHBondContact O-ND2 2.79Å
905	A	88.9	Confident	77	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-59.6	-48.5	177.5	0	0	0	0	0	111.7	F851 P878 K901 L902 Y907 N908 C909	F851-A905 HydrophobicContact CE1-CB 4.03Å; F851-A905 HydrophobicContact CE2-CB 3.98Å; F851-A905 HydrophobicContact CZ-CB 3.7Å; P878-A905 HydrophobicContact CG-CB 3.93Å; K901-A905 PolarHBondContact O-N 2.74Å; L902-A905 PolarHBondContact O-N 3.29Å; A905-Y907 PolarHBondContact O-N 2.91Å; A905-Y907 VanDerWaalsContact O-N 3.11Å; A905-N908 PolarHBondContact O-N 2.87Å; A905-C909 WeakPolarHBondContact O-CB 3.29Å; A905-C909 PolarHBondContact O-N 2.67Å
906	A	86.4	Confident	74.6	Confident	13 Å²	13	76.4 Å²	76.4	11%	0.107	40%	0.401	C	S	.	.	H	α-helix	trans	-63.4	-18.1	-179.9	0	0	0	0	0	115.2	R847 F848 F851 L902 R903 Y904	R847-A906 HydrophobicContact CB-CB 4.32Å; F848-A906 HydrophobicContact CB-CB 4.34Å; F851-A906 HydrophobicContact CB-CB 4.24Å; L902-A906 VanDerWaalsContact O-CB 3.28Å; L902-A906 WeakPolarHBondContact O-CB 3.36Å; L902-A906 PolarHBondContact O-N 3.36Å; R903-A906 PolarHBondContact O-N 3.42Å; Y904-A906 PolarHBondContact O-N 2.9Å
907	Y	81.3	Confident	72	Confident	84 Å²	84	72.7 Å²	72.7	33%	0.329	39%	0.392	S	S	.	.	H	α-helix	trans	-97.7	-24	176.1	-87.1	-113.9	0	0	0	114	R847 R903 Y904 A905	R847-Y907 VanDerWaalsContact CZ-CE1 3.47Å; R847-Y907 PolarHBondContact NE-OH 2.85Å; R903-Y907 HydrophobicContact CG-CD2 3.87Å; R903-Y907 HydrophobicContact CG-CE2 3.82Å; R903-Y907 WeakPolarHBondContact O-CB 3.26Å; R903-Y907 VanDerWaalsContact O-CD2 3.24Å; R903-Y907 WeakPolarHBondContact O-CD2 3.37Å; R903-Y907 PolarHBondContact O-N 3.21Å; R903-Y907 VanDerWaalsContact O-N 3.11Å; Y904-Y907 PolarHBondContact O-N 2.83Å; A905-Y907 PolarHBondContact O-N 2.91Å; A905-Y907 VanDerWaalsContact O-N 3.11Å
908	N	79.8	Confident	69.5	Low	88 Å²	88	76.4 Å²	76.4	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-113.4	-24.4	-170.9	-64.8	-87.2	0	0	0	114.1	Y904 A905 V910	Y904-N908 HydrophobicContact CE1-CB 4.27Å; Y904-N908 PolarHBondContact O-N 2.85Å; Y904-N908 VanDerWaalsContact O-N 3.12Å; Y904-N908 PolarHBondContact O-ND2 2.79Å; A905-N908 PolarHBondContact O-N 2.87Å; N908-V910 VanDerWaalsContact C-N 3.34Å; N908-V910 WeakPolarHBondContact O-CG2 3.39Å; N908-V910 PolarHBondContact O-N 2.84Å
909	C	67.8	Low	67.3	Low	67 Å²	67	87 Å²	87	45%	0.453	46%	0.456	S	S	.	.			trans	-84.2	74.4	176	-62	0	0	0	0	110.4	F851 A905	F851-C909 HydrophobicContact CD2-CB 3.76Å; F851-C909 HydrophobicContact CE2-CB 3.71Å; A905-C909 WeakPolarHBondContact O-CB 3.29Å; A905-C909 PolarHBondContact O-N 2.67Å
910	V	54.5	Low	64.7	Low	116 Å²	116	92.6 Å²	92.6	70%	0.703	48%	0.483	S	S	*	.			trans	-92.1	-8.5	-171.9	-151.9	0	0	0	0	113.7	N908	N908-V910 VanDerWaalsContact C-N 3.34Å; N908-V910 WeakPolarHBondContact O-CG2 3.39Å; N908-V910 PolarHBondContact O-N 2.84Å
911	A	50.9	Low	61.8	Low	89 Å²	89	100.9 Å²	100.9	74%	0.736	52%	0.521	S	S	*	.	S	Bend	trans	-141.3	165.8	-179.6	0	0	0	0	0	111.1
912	I	50.6	Low	60.2	Low	92 Å²	92	103.8 Å²	103.8	47%	0.472	54%	0.538	S	S	.	.			trans	-73.7	137.3	168.3	-60.9	172.8	0	0	0	107.9	T914	I912-T914 PolarHBondContact O-N 2.85Å
913	D	43.7	Very low	58.4	Low	140 Å²	140	109.3 Å²	109.3	75%	0.749	57%	0.566	S	S	*	*			trans	-61.4	130.5	174.8	-107.7	-44.9	0	0	0	110.8	D915	D913-D915 PolarHBondContact O-N 3.25Å
914	T	41.7	Very low	56.5	Low	104 Å²	104	111.7 Å²	111.7	64%	0.638	58%	0.584	S	S	*	*			trans	-83.1	43.6	-177.1	56.6	0	0	0	0	111.9	I912 M916	I912-T914 PolarHBondContact O-N 2.85Å; T914-M916 VanDerWaalsContact C-N 3.35Å; T914-M916 PolarHBondContact O-N 3.44Å
915	D	43	Very low	54.5	Low	149 Å²	149	110.5 Å²	110.5	80%	0.797	59%	0.588	S	S	*	*			trans	-71.8	89.3	178.7	-95.3	4.9	0	0	0	110	D913 S917	D913-D915 PolarHBondContact O-N 3.25Å; D915-S917 PolarHBondContact O-N 3.33Å
916	M	40.1	Very low	52.3	Low	125 Å²	125	117.4 Å²	117.4	62%	0.616	63%	0.625	S	S	*	*			trans	-56.4	128.1	165.4	-70.8	-70.6	-68	0	0	109.2	T914 P918 E920	T914-M916 VanDerWaalsContact C-N 3.35Å; T914-M916 PolarHBondContact O-N 3.44Å; M916-P918 WeakPolarHBondContact O-CD 3.36Å; M916-E920 WeakPolarHBondContact CE-O 2.88Å
917	S	37.8	Very low	50.1	Low	53 Å²	53	124.4 Å²	124.4	37%	0.371	66%	0.66	S	S	.	*			trans	-53.2	126.9	165	177.8	0	0	0	0	108.9	D915 W919 E920	D915-S917 PolarHBondContact O-N 3.33Å; S917-W919 PolarHBondContact O-N 2.78Å; S917-E920 PolarHBondContact O-N 2.82Å
918	P	41.2	Very low	47.8	Very low	116 Å²	116	127.3 Å²	127.3	75%	0.753	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	14.3	177.7	-24.3	35.4	0	0	0	115.5	M916	M916-P918 WeakPolarHBondContact O-CD 3.36Å
919	W	47.4	Very low	45.4	Very low	224 Å²	224	130.3 Å²	130.3	85%	0.848	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	4.1	-172.6	-49.1	101	0	0	0	112.6	S917	S917-W919 PolarHBondContact O-N 2.78Å
920	E	38.5	Very low	43.5	Very low	146 Å²	146	135.6 Å²	135.6	68%	0.682	72%	0.72	S	S	*	*			trans	-121.5	80.5	175.4	-64	-168.3	160.3	0	0	110.7	M916 S917	M916-E920 WeakPolarHBondContact CE-O 2.88Å; S917-E920 PolarHBondContact O-N 2.82Å
921	E	32.6	Very low	42.5	Very low	273 Å²	273	137.4 Å²	137.4	100%	1.276	72%	0.722	S	S	*	*			trans	-104.1	0	163.1	-72	-167	142.7	0	0	111.1

Retrieved 921 of 921 residues in 6837.8 ms (Link to these results)

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