A0A087Y141_POEFO Loading...

Serine/threonine-protein kinase DCLK2

AlphaFold DB , UniProt , Accession A0A087Y141, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 917 aa.

						>A0A087Y141_POEFO|A0A087Y141
MSLSRGIEFEHFEERGRTQRSPKTNSGTGSHTKSKGGGLVPSPAHSTHCSFYRTRTLQSLTSEKKARKVRFYRNGDKYFKGLVYAVSNDRFRSLGALLMELTRSLSDNVNLPQGVRMLYTVDGGRKITSLDELLEGESYVCASNEPFRCVDYTKNINPNWSVGIKTGTSRSLTSLNQLKSELQRESKEFIRPKLVTVIRSGVRPRKAVRILLNKKTAHSFEQVLTDITDAVKLDSGAVRRLYTLEGKQITCLKDFFGDDDVFIACGPEKYRYGQDDFVLEHSGKASTALMTECKVLKTSYSRSTTPNWAGKSPRPSRRSKSPVSARKPIHHSSLCSIKSQVNGVSAHRSTKSSTPSPTSPRTIPRLKLPQSFQTSSPNVNGNDSINNHLEKTVSPEVNGNQYPESSSILEKYTVGKVIGDGNFAVVKECVERSTGREFALKIINKAKCSGKEHLIENEVAVLRRVKHPNIIMLIEEVDTPSELCLVMELVKGGDLFDAIMSSAKYTEKDASTMVYNLAAALLYLHSINIVHRDIKPENLLVFEDPDGFKSLKLGDFGLATVVEGPLFTVCGTPTYVAPEIIAESGYGLKVDIWAAGVITYILLCGFPPFRSENNRQEELFEQILLGKLDFPSPYWDNITDSAKDLISRMLQVNAETRSMAKDVLSHPWVTHDAVMKTNMKTEVSGKLRTHFNTAPKQNSTTAGVSVIMNTALDKETLQLYALSSEEPQVEPSSDVENVSSALPNELASLTKQVSRDKDPNSTESVFPTVTAHPGDRQRTEPLPVPARLLSPSAEAFLLSSPPEKETPPSSLFLTPCLSLDPSSPSALHLFSCVTPSSTPSSANHPAPDRSSPTNQTSPCPISPTPPFVFFPLSSPSKQAPTSPSSVQPTLFPSPPSTPPAAPLPSYPLLAEELLEQI
					

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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	34.5	Very low	29.7	Very low	232 Å²	232	151.4 Å²	151.4	100%	1.143	78%	0.778	S	S	*	*				0	115.7	0	-63.2	162.1	-177.9	0	0	106.1
2	S	27.1	Very low	29.4	Very low	103 Å²	103	152.8 Å²	152.8	72%	0.72	78%	0.775	S	S	*	*				65.5	135.1	52.9	74.5	0	0	0	0	113.1
3	L	30.6	Very low	30	Very low	156 Å²	156	153.3 Å²	153.3	82%	0.817	77%	0.773	S	S	*	*			cis	174.8	143.4	-27.4	-115.5	168	0	0	0	105.8
4	S	29.1	Very low	30.2	Very low	105 Å²	105	152.9 Å²	152.9	73%	0.734	77%	0.767	S	S	*	*			trans	63.7	172.7	155.4	-64.4	0	0	0	0	119.3
5	R	34.8	Very low	30.1	Very low	230 Å²	230	158.1 Å²	158.1	87%	0.868	77%	0.774	S	S	*	*			cis	-172.2	153.5	-49.7	-146.1	176.2	-170.4	-174.4	1.9	109.3	I7	R5-I7 HydrophobicContact CG-CD1 4.48Å
6	G	25.4	Very low	29.9	Very low	62 Å²	62	153 Å²	153	64%	0.639	78%	0.775	S	S	*	*			trans	168.4	114.7	170.9	0	0	0	0	0	108.4
7	I	32.9	Very low	29.9	Very low	134 Å²	134	157.9 Å²	157.9	69%	0.687	78%	0.782	S	S	*	*			cis	70.4	117.9	39.7	-42.5	163.8	0	0	0	108.5	R5	R5-I7 HydrophobicContact CG-CD1 4.48Å
8	E	26.3	Very low	29.8	Very low	158 Å²	158	155.9 Å²	155.9	74%	0.738	78%	0.78	S	S	*	*				-147.7	-174.9	64.7	-77.8	175.3	-175.4	0	0	110.5
9	F	27	Very low	29.8	Very low	152 Å²	152	155.3 Å²	155.3	67%	0.667	77%	0.774	S	S	*	*			cis	-169.2	-174.2	-22.7	-95.8	-35.7	0	0	0	105.5
10	E	30.1	Very low	29.7	Very low	148 Å²	148	158.6 Å²	158.6	69%	0.692	78%	0.777	S	S	*	*				-174.2	140.7	-57.4	-175.8	154.9	-65.5	0	0	109.8
11	H	29.3	Very low	29.6	Very low	185 Å²	185	156.1 Å²	156.1	86%	0.856	78%	0.776	S	S	*	*			trans	172.4	160.2	163.7	-102.1	81.6	0	0	0	110.9
12	F	26.2	Very low	30.3	Very low	169 Å²	169	150.1 Å²	150.1	74%	0.741	75%	0.754	S	S	*	*				-157.4	170.6	-52.8	-152	-98	0	0	0	110.6
13	E	36.3	Very low	30.4	Very low	159 Å²	159	154 Å²	154	74%	0.743	76%	0.758	S	S	*	*			trans	-68.3	174.8	-177.3	-89.5	175.7	159.5	0	0	117.1
14	E	33.1	Very low	30.4	Very low	148 Å²	148	152 Å²	152	69%	0.692	75%	0.753	S	S	*	*			cis	-169.6	169.4	-5.6	177.2	-141.6	-164.6	0	0	109.6
15	R	28.2	Very low	30.4	Very low	230 Å²	230	154.6 Å²	154.6	87%	0.868	76%	0.758	S	S	*	*			trans	118.3	148.9	152.4	-63.2	172.1	-176.2	174.1	1.7	115.7
16	G	27	Very low	30.4	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	76%	0.758	S	S	*	*			cis	-162.9	-171	2.9	0	0	0	0	0	113.3
17	R	31.1	Very low	30.5	Very low	237 Å²	237	149.5 Å²	149.5	89%	0.894	76%	0.758	S	S	*	*			trans	-106.3	150.2	-162.6	-73.7	-176.6	175.1	179.6	-0.4	117.7
18	T	27.5	Very low	30.4	Very low	122 Å²	122	150.3 Å²	150.3	75%	0.748	77%	0.769	S	S	*	*			trans	57.1	130	143.6	53.3	0	0	0	0	122.8
19	Q	30	Very low	30.5	Very low	143 Å²	143	146.4 Å²	146.4	67%	0.668	77%	0.771	S	S	*	*				179.1	149.4	98.8	-96.1	-155.9	28.1	0	0	116.6
20	R	27.5	Very low	30.7	Very low	222 Å²	222	144.1 Å²	144.1	84%	0.838	77%	0.774	S	S	*	*			trans	61.3	154.5	147.3	-75.8	-176.8	169.9	132.8	-14.2	123.3
21	S	28.6	Very low	30.7	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	78%	0.778	S	S	*	*			trans	-112.4	-166.4	174.4	61.3	0	0	0	0	108.9
22	P	48.3	Very low	30.6	Very low	106 Å²	106	142.5 Å²	142.5	69%	0.688	78%	0.775	S	S	*	*			cis	-143	-155.7	8.9	37.7	-12.5	0	0	0	115.5
23	K	29.7	Very low	30.7	Very low	186 Å²	186	144.2 Å²	144.2	81%	0.809	78%	0.782	S	S	*	*			trans	89.6	141	167.5	-57.5	-170.6	-179.4	179.6	0	116.2
24	T	28.9	Very low	30.4	Very low	114 Å²	114	141.4 Å²	141.4	70%	0.699	78%	0.78	S	S	*	*			cis	-156.7	161	-3.7	5.8	0	0	0	0	113.5
25	N	30.5	Very low	30.2	Very low	159 Å²	159	144 Å²	144	85%	0.85	79%	0.789	S	S	*	*			trans	70.8	122.4	153.3	-69.7	14.9	0	0	0	121.7
26	S	33.5	Very low	30.2	Very low	123 Å²	123	136.9 Å²	136.9	86%	0.86	79%	0.787	S	S	*	*			trans	-98.6	154.1	163.1	52.3	0	0	0	0	112.1
27	G	29.3	Very low	30.3	Very low	62 Å²	62	137.4 Å²	137.4	64%	0.639	79%	0.793	S	S	*	*			trans	176.4	107.7	161.5	0	0	0	0	0	110.4
28	T	30.8	Very low	30.1	Very low	151 Å²	151	129.4 Å²	129.4	93%	0.926	78%	0.784	S	S	*	*				58.4	112.8	79.3	64.6	0	0	0	0	114.7
29	G	28.5	Very low	30.3	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	79%	0.791	S	S	*	*			trans	145	91.5	157	0	0	0	0	0	118.8
30	S	29.9	Very low	30.6	Very low	104 Å²	104	131 Å²	131	73%	0.727	80%	0.796	S	S	*	*				42.5	123	125.1	-146.2	0	0	0	0	123.4
31	H	29.6	Very low	30.9	Very low	170 Å²	170	125.6 Å²	125.6	79%	0.787	79%	0.79	S	S	*	*			trans	64.3	143.2	139.1	-73.2	-45	0	0	0	124.7
32	T	29.1	Very low	31.3	Very low	130 Å²	130	126 Å²	126	80%	0.798	79%	0.792	S	S	*	*			trans	94.4	118.8	154.1	70.7	0	0	0	0	122
33	K	27.8	Very low	30.7	Very low	204 Å²	204	126.9 Å²	126.9	89%	0.887	80%	0.798	S	S	*	*			trans	24.2	127.3	141.2	-58.4	178.4	176.9	176.9	0	120.6
34	S	29.5	Very low	30.9	Very low	100 Å²	100	122 Å²	122	70%	0.699	79%	0.793	S	S	*	*				139.1	133.2	103.9	-159.7	0	0	0	0	116.5
35	K	29.6	Very low	31.5	Very low	203 Å²	203	125.6 Å²	125.6	88%	0.883	80%	0.801	S	S	*	*			trans	63.5	152.3	156.2	-74	176	177.6	-175.3	0	120.4
36	G	28.5	Very low	31.7	Very low	80 Å²	80	122.4 Å²	122.4	83%	0.825	79%	0.792	S	S	*	*			trans	86.9	123.1	179	0	0	0	0	0	112.7
37	G	28.5	Very low	31.7	Very low	88 Å²	88	123.2 Å²	123.2	91%	0.907	79%	0.791	S	S	*	*			cis	106.1	86.9	-3.4	0	0	0	0	0	113.1
38	G	26.6	Very low	32.1	Very low	69 Å²	69	126.5 Å²	126.5	71%	0.711	79%	0.79	S	S	*	*			trans	160.2	129	172.6	0	0	0	0	0	114.6
39	L	31.1	Very low	32.3	Very low	171 Å²	171	123.8 Å²	123.8	90%	0.895	78%	0.776	S	S	*	*			trans	53.1	115.8	147.1	-57.4	173	0	0	0	119.9	P41	L39-P41 WeakPolarHBondContact O-CD 3.36Å
40	V	36.5	Very low	32.8	Very low	129 Å²	129	123.5 Å²	123.5	78%	0.782	76%	0.762	S	S	*	*			trans	-70.6	130.6	149.3	172.6	0	0	0	0	109.3
41	P	35.2	Very low	33.2	Very low	107 Å²	107	125.7 Å²	125.7	70%	0.695	76%	0.759	S	S	*	*			trans	-104.2	130.7	148.5	34	-27.1	0	0	0	109.8	L39 P43	L39-P41 WeakPolarHBondContact O-CD 3.36Å; P41-P43 WeakPolarHBondContact O-CD 3.35Å
42	S	35.8	Very low	33.5	Very low	114 Å²	114	125.2 Å²	125.2	80%	0.797	75%	0.751	S	S	*	*			trans	-85.3	119.1	166	-63.8	0	0	0	0	109.7
43	P	36	Very low	33.9	Very low	125 Å²	125	128.1 Å²	128.1	81%	0.812	75%	0.748	S	S	*	*			trans	-96.2	103.3	169.2	4.4	17.7	0	0	0	109	P41	P41-P43 WeakPolarHBondContact O-CD 3.35Å
44	A	34.5	Very low	34.5	Very low	84 Å²	84	121.8 Å²	121.8	69%	0.694	73%	0.726	S	S	*	*			trans	-74.9	148.5	165.6	0	0	0	0	0	110
45	H	41.8	Very low	35	Very low	189 Å²	189	125.7 Å²	125.7	88%	0.875	73%	0.726	S	S	*	*			trans	48.5	99.8	170.2	-65.8	-83	0	0	0	118.4
46	S	34.8	Very low	35.6	Very low	93 Å²	93	119.6 Å²	119.6	65%	0.65	71%	0.705	S	S	*	*			trans	-130.8	129.1	144.8	179	0	0	0	0	109.8	H48	S46-H48 PolarHBondContact O-N 3.25Å
47	T	31.9	Very low	36.1	Very low	139 Å²	139	120.4 Å²	120.4	85%	0.853	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	22.8	-170.5	42.3	0	0	0	0	114.2
48	H	37.9	Very low	36.8	Very low	131 Å²	131	122.6 Å²	122.6	61%	0.606	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-7.1	-176.6	-144.7	69.4	0	0	0	114.7	S46 S50	S46-H48 PolarHBondContact O-N 3.25Å; H48-S50 PolarHBondContact O-N 2.98Å
49	C	35.2	Very low	37.3	Very low	94 Å²	94	123 Å²	123	64%	0.635	67%	0.669	S	S	*	*	H	α-helix	trans	-68.3	-14.1	179.4	-76.2	0	0	0	0	114.7	R53	C49-R53 WeakPolarHBondContact O-CB 3.13Å; C49-R53 PolarHBondContact O-N 2.9Å
50	S	40	Very low	37.7	Very low	70 Å²	70	119.3 Å²	119.3	49%	0.49	65%	0.65	S	S	.	*	H	α-helix	trans	-60.6	-45.5	177.8	49.4	0	0	0	0	112.3	H48 T54	H48-S50 PolarHBondContact O-N 2.98Å; S50-T54 WeakPolarHBondContact O-CG2 3.44Å; S50-T54 PolarHBondContact O-N 3.22Å; S50-T54 VanDerWaalsContact O-N 3.11Å; S50-T54 PolarHBondContact O-OG1 2.94Å
51	F	36.6	Very low	38	Very low	150 Å²	150	118.8 Å²	118.8	66%	0.658	65%	0.647	S	S	*	*	H	α-helix	trans	-78.5	-34.2	-177.5	-82.4	-81.5	0	0	0	114.1	T54 R55	F51-T54 WeakPolarHBondContact CA-OG1 3.37Å; F51-T54 PolarHBondContact O-OG1 2.61Å; F51-R55 VanDerWaalsContact O-CB 3.28Å; F51-R55 WeakPolarHBondContact O-CB 3.28Å; F51-R55 PolarHBondContact O-N 3.41Å
52	Y	36.6	Very low	38.4	Very low	160 Å²	160	118 Å²	118	63%	0.627	64%	0.644	S	S	*	*	H	α-helix	trans	-74.6	-35.8	173	-103.5	-86.6	0	0	0	112.3	R55 T56	Y52-R55 PolarHBondContact O-N 3.26Å; Y52-T56 WeakPolarHBondContact O-CB 3.02Å; Y52-T56 PolarHBondContact O-N 2.92Å; Y52-T56 PolarHBondContact O-OG1 3.09Å; Y52-T56 VanDerWaalsContact O-OG1 3.09Å
53	R	36.9	Very low	38.9	Very low	191 Å²	191	118.7 Å²	118.7	72%	0.721	63%	0.634	S	S	*	*	H	α-helix	trans	-66.4	-39.4	175.2	-164.2	172.8	-169.4	168.4	3.1	111.6	C49 L57	C49-R53 WeakPolarHBondContact O-CB 3.13Å; C49-R53 PolarHBondContact O-N 2.9Å; R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 WeakPolarHBondContact O-CB 3.49Å; R53-L57 WeakPolarHBondContact O-CD1 3.49Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.4Å
54	T	41.5	Very low	40	Very low	71 Å²	71	117 Å²	117	44%	0.436	61%	0.614	S	S	.	*	H	α-helix	trans	-70.6	-39.2	173.2	51.4	0	0	0	0	112.8	S50 F51 Q58	S50-T54 WeakPolarHBondContact O-CG2 3.44Å; S50-T54 PolarHBondContact O-N 3.22Å; S50-T54 VanDerWaalsContact O-N 3.11Å; S50-T54 PolarHBondContact O-OG1 2.94Å; F51-T54 WeakPolarHBondContact CA-OG1 3.37Å; F51-T54 PolarHBondContact O-OG1 2.61Å; T54-Q58 VanDerWaalsContact O-CB 3.26Å; T54-Q58 WeakPolarHBondContact O-CB 3.44Å; T54-Q58 VanDerWaalsContact O-CG 3.29Å; T54-Q58 WeakPolarHBondContact O-CG 3.3Å; T54-Q58 PolarHBondContact O-N 3.32Å
55	R	39.2	Very low	41.2	Very low	182 Å²	182	119.7 Å²	119.7	69%	0.687	61%	0.61	S	S	*	*	H	α-helix	trans	-70.6	-39.8	-179.9	-154.9	175.1	-161.2	-177.5	5.9	113.1	F51 Y52 Q58 S59	F51-R55 VanDerWaalsContact O-CB 3.28Å; F51-R55 WeakPolarHBondContact O-CB 3.28Å; F51-R55 PolarHBondContact O-N 3.41Å; Y52-R55 PolarHBondContact O-N 3.26Å; R55-Q58 PolarHBondContact O-N 3.4Å; R55-S59 WeakPolarHBondContact O-CB 3.2Å; R55-S59 PolarHBondContact O-N 3.41Å
56	T	41.8	Very low	42.5	Very low	74 Å²	74	112.9 Å²	112.9	45%	0.454	59%	0.587	S	S	.	*	H	α-helix	trans	-71.1	-38.6	174.3	-52.1	0	0	0	0	111.4	Y52 S59 L60	Y52-T56 WeakPolarHBondContact O-CB 3.02Å; Y52-T56 PolarHBondContact O-N 2.92Å; Y52-T56 PolarHBondContact O-OG1 3.09Å; Y52-T56 VanDerWaalsContact O-OG1 3.09Å; T56-S59 PolarHBondContact O-N 3.25Å; T56-L60 HydrophobicContact CG2-CD1 4.15Å; T56-L60 WeakPolarHBondContact O-CB 3.29Å; T56-L60 VanDerWaalsContact O-CG 3.32Å; T56-L60 WeakPolarHBondContact O-CG 3.26Å; T56-L60 PolarHBondContact O-N 3.46Å
57	L	40.8	Very low	44.8	Very low	98 Å²	98	109.9 Å²	109.9	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-65.4	-39.7	171.9	-75.5	172.6	0	0	0	112.2	R53 L60 T61	R53-L57 HydrophobicContact CG-CD1 4.07Å; R53-L57 WeakPolarHBondContact O-CB 3.49Å; R53-L57 WeakPolarHBondContact O-CD1 3.49Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.4Å; L57-L60 CarbonylContact O-C 3.53Å; L57-L60 PolarHBondContact O-N 3.03Å; L57-L60 VanDerWaalsContact O-N 3.16Å; L57-T61 WeakPolarHBondContact O-CG2 3.21Å; L57-T61 PolarHBondContact O-N 3.15Å; L57-T61 PolarHBondContact O-OG1 2.97Å
58	Q	41.4	Very low	47.2	Very low	134 Å²	134	109.7 Å²	109.7	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-65.2	-40.2	176.4	-79.6	178.7	-21.5	0	0	111.9	T54 R55 L60 T61	T54-Q58 VanDerWaalsContact O-CB 3.26Å; T54-Q58 WeakPolarHBondContact O-CB 3.44Å; T54-Q58 VanDerWaalsContact O-CG 3.29Å; T54-Q58 WeakPolarHBondContact O-CG 3.3Å; T54-Q58 PolarHBondContact O-N 3.32Å; R55-Q58 PolarHBondContact O-N 3.4Å; Q58-L60 VanDerWaalsContact C-N 3.27Å; Q58-L60 PolarHBondContact O-N 3.18Å; Q58-T61 VanDerWaalsContact CA-OG1 3.31Å; Q58-T61 WeakPolarHBondContact CA-OG1 3.32Å; Q58-T61 PolarHBondContact O-N 2.87Å; Q58-T61 PolarHBondContact O-OG1 3.11Å
59	S	38.3	Very low	49.7	Very low	77 Å²	77	103.6 Å²	103.6	54%	0.538	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-32.4	172.3	-164.5	0	0	0	0	112.9	R55 T56 S62	R55-S59 WeakPolarHBondContact O-CB 3.2Å; R55-S59 PolarHBondContact O-N 3.41Å; T56-S59 PolarHBondContact O-N 3.25Å; S59-S62 PolarHBondContact O-OG 2.96Å
60	L	39	Very low	52.2	Low	94 Å²	94	101.7 Å²	101.7	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-82.2	-25.4	175.2	-71.1	168.2	0	0	0	112.9	T56 L57 Q58 S62 E63	T56-L60 HydrophobicContact CG2-CD1 4.15Å; T56-L60 WeakPolarHBondContact O-CB 3.29Å; T56-L60 VanDerWaalsContact O-CG 3.32Å; T56-L60 WeakPolarHBondContact O-CG 3.26Å; T56-L60 PolarHBondContact O-N 3.46Å; L57-L60 CarbonylContact O-C 3.53Å; L57-L60 PolarHBondContact O-N 3.03Å; L57-L60 VanDerWaalsContact O-N 3.16Å; Q58-L60 VanDerWaalsContact C-N 3.27Å; Q58-L60 PolarHBondContact O-N 3.18Å; L60-S62 PolarHBondContact O-N 2.97Å; L60-E63 PolarHBondContact O-N 3.16Å
61	T	42.5	Very low	54.7	Low	117 Å²	117	98.3 Å²	98.3	72%	0.718	48%	0.477	S	S	*	.	H	α-helix	trans	-69.6	-13.4	173.3	51.7	0	0	0	0	113.8	L57 Q58	L57-T61 WeakPolarHBondContact O-CG2 3.21Å; L57-T61 PolarHBondContact O-N 3.15Å; L57-T61 PolarHBondContact O-OG1 2.97Å; Q58-T61 VanDerWaalsContact CA-OG1 3.31Å; Q58-T61 WeakPolarHBondContact CA-OG1 3.32Å; Q58-T61 PolarHBondContact O-N 2.87Å; Q58-T61 PolarHBondContact O-OG1 3.11Å
62	S	45	Very low	57.2	Low	91 Å²	91	91.4 Å²	91.4	64%	0.636	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-12.1	166.4	29	0	0	0	0	114.3	S59 L60 K64	S59-S62 PolarHBondContact O-OG 2.96Å; L60-S62 PolarHBondContact O-N 2.97Å; S62-K64 PolarHBondContact O-N 3.04Å
63	E	45.3	Very low	59.7	Low	129 Å²	129	85.5 Å²	85.5	60%	0.603	42%	0.423	S	S	*	.	S	Bend	trans	-98	91.3	-174	-65.5	-157	105.8	0	0	113.4	L60 K65	L60-E63 PolarHBondContact O-N 3.16Å; E63-K65 PolarHBondContact O-N 2.78Å
64	K	58.9	Low	62.1	Low	88 Å²	88	76.8 Å²	76.8	38%	0.383	39%	0.39	S	S	.	.			trans	51.2	55.4	146.5	-55.9	-174.8	-174.4	-175.7	0	117	S62 A66 N88 D131	S62-K64 PolarHBondContact O-N 3.04Å; K64-A66 PolarHBondContact O-N 3.47Å; K64-N88 PolarHBondContact NZ-ND2 2.99Å; K64-D131 VanDerWaalsContact CE-OD1 3.24Å; K64-D131 WeakPolarHBondContact CE-OD1 3.46Å; K64-D131 IonicContact NZ-OD1 2.61Å; K64-D131 PolarHBondContact NZ-OD1 3.4Å; K64-D131 IonicContact NZ-OD2 2.81Å; K64-D131 PolarHBondContact NZ-OD2 3.16Å
65	K	60.1	Low	63.9	Low	141 Å²	141	74.7 Å²	74.7	61%	0.613	38%	0.383	S	S	*	.			trans	-34.4	135.7	155.9	178.5	-166.9	166.6	-149.6	0	111.3	E63 R67 E135	E63-K65 PolarHBondContact O-N 2.78Å; K65-R67 PolarHBondContact O-N 3.44Å; K65-R67 VanDerWaalsContact O-N 3.14Å; K65-E135 IonicContact NZ-OE1 2.74Å; K65-E135 PolarHBondContact NZ-OE1 3.36Å; K65-E135 IonicContact NZ-OE2 3.69Å; K65-E135 PolarHBondContact NZ-OE2 2.96Å
66	A	69.6	Low	65.9	Low	47 Å²	47	67.1 Å²	67.1	39%	0.388	36%	0.357	S	S	.	.			trans	-57.4	117.8	-179.6	0	0	0	0	0	111.9	K64	K64-A66 PolarHBondContact O-N 3.47Å
67	R	83	Confident	67.4	Low	30 Å²	30	68.2 Å²	68.2	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.5	-176.4	-61.9	175.6	-110.8	-150.3	-5.7	109.4	K65 V69 V86 D131 L133 E135	K65-R67 PolarHBondContact O-N 3.44Å; K65-R67 VanDerWaalsContact O-N 3.14Å; R67-V69 HydrophobicContact CB-CG2 4.08Å; R67-V86 PolarHBondContact N-O 3Å; R67-V86 PolarHBondContact O-N 2.92Å; R67-D131 IonicContact CZ-OD1 3.46Å; R67-D131 PolarHBondContact NH1-O 2.64Å; R67-D131 IonicContact NH1-OD1 3.41Å; R67-D131 IonicContact NH2-OD1 2.76Å; R67-D131 PolarHBondContact NH2-OD1 3.23Å; R67-L133 WeakPolarHBondContact CD-O 3.31Å; R67-L133 PolarHBondContact NE-O 3.11Å; R67-L133 PolarHBondContact NH1-O 2.86Å; R67-E135 HydrophobicContact CB-CB 4.2Å; R67-E135 HydrophobicContact CG-CB 4.29Å
68	K	82.2	Confident	68.7	Low	135 Å²	135	71.8 Å²	71.8	59%	0.587	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.5	172.5	-170.5	173.1	-177.9	175.2	0	109	V83 G136	K68-V83 HydrophobicContact CD-CG1 4.36Å; K68-V83 HydrophobicContact CG-CG1 3.85Å; K68-G136 PolarHBondContact O-N 2.86Å
69	V	89.6	Confident	70.6	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.6	-169.1	-179.5	0	0	0	0	109.6	R67 F71 V83 Y84 L133 Y139	R67-V69 HydrophobicContact CB-CG2 4.08Å; V69-F71 HydrophobicContact CB-CE2 3.95Å; V69-F71 HydrophobicContact CB-CZ 4.12Å; V69-F71 HydrophobicContact CG1-CD2 4.31Å; V69-F71 HydrophobicContact CG1-CE1 3.96Å; V69-F71 HydrophobicContact CG1-CE2 3.68Å; V69-F71 HydrophobicContact CG1-CZ 3.48Å; V69-F71 VanDerWaalsContact CG1-CZ 3.48Å; V69-V83 WeakPolarHBondContact O-CA 3.43Å; V69-Y84 PolarHBondContact N-O 3.02Å; V69-Y84 PolarHBondContact O-N 3.33Å; V69-L133 HydrophobicContact CG2-CB 4.49Å; V69-Y139 HydrophobicContact CG1-CD2 3.38Å; V69-Y139 HydrophobicContact CG1-CE2 3.66Å
70	R	88.6	Confident	72.4	Confident	54 Å²	54	70.5 Å²	70.5	20%	0.204	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.5	172.6	-171	180	-67.1	-95.8	0.2	112.1	Y72 K80 G81 L82 V83 E137 S138 Y139	R70-Y72 HydrophobicContact CB-CE2 4.46Å; R70-Y72 VanDerWaalsContact CD-CZ 3.45Å; R70-Y72 WeakPolarHBondContact CD-OH 3.42Å; R70-Y72 HydrophobicContact CG-CD2 4.44Å; R70-Y72 HydrophobicContact CG-CE2 3.86Å; R70-K80 PolarHBondContact NH1-O 2.77Å; R70-G81 PolarHBondContact NH1-O 3.23Å; R70-L82 CarbonylContact C-O 3.57Å; R70-L82 WeakPolarHBondContact CA-O 3.13Å; R70-V83 HydrophobicContact CG-CG2 4.34Å; R70-V83 VanDerWaalsContact NH2-CG2 3.34Å; R70-E137 PolarHBondContact N-O 2.8Å; R70-E137 VanDerWaalsContact N-O 3.07Å; R70-S138 CarbonylContact O-C 3.59Å; R70-S138 WeakPolarHBondContact O-CA 3.29Å; R70-Y139 PolarHBondContact O-N 3.49Å
71	F	91.7	Very high	74.4	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.9	-177.9	-66.7	-71.8	0	0	0	111.4	V69 F79 G81 L82 V86 L97 L101 L105 L118 L133 Y139	V69-F71 HydrophobicContact CB-CE2 3.95Å; V69-F71 HydrophobicContact CB-CZ 4.12Å; V69-F71 HydrophobicContact CG1-CD2 4.31Å; V69-F71 HydrophobicContact CG1-CE1 3.96Å; V69-F71 HydrophobicContact CG1-CE2 3.68Å; V69-F71 HydrophobicContact CG1-CZ 3.48Å; V69-F71 VanDerWaalsContact CG1-CZ 3.48Å; F71-F79 WeakPolarHBondContact O-CE1 3.41Å; F71-G81 CarbonylContact O-C 3.38Å; F71-G81 VanDerWaalsContact O-CA 3.28Å; F71-G81 WeakPolarHBondContact O-CA 3.41Å; F71-L82 PolarHBondContact N-O 3.36Å; F71-L82 PolarHBondContact O-N 3.21Å; F71-V86 HydrophobicContact CE2-CG2 4.28Å; F71-V86 HydrophobicContact CZ-CG2 4.46Å; F71-L97 HydrophobicContact CZ-CD2 4.13Å; F71-L101 HydrophobicContact CB-CD2 4.37Å; F71-L101 HydrophobicContact CD1-CD1 3.94Å; F71-L101 HydrophobicContact CD2-CD1 4.17Å; F71-L101 HydrophobicContact CD2-CD2 3.74Å; F71-L101 HydrophobicContact CE1-CD1 3.95Å; F71-L101 HydrophobicContact CE2-CD1 4.17Å; F71-L101 HydrophobicContact CE2-CD2 4.21Å; F71-L101 HydrophobicContact CG-CD1 4.06Å; F71-L101 HydrophobicContact CG-CD2 4.03Å; F71-L101 HydrophobicContact CZ-CD1 4.07Å; F71-L105 HydrophobicContact CB-CD1 4.47Å; F71-L118 HydrophobicContact CD1-CD2 3.53Å; F71-L118 HydrophobicContact CE1-CD1 4.05Å; F71-L118 HydrophobicContact CE1-CD2 3.59Å; F71-L133 HydrophobicContact CE1-CD2 4.46Å; F71-L133 HydrophobicContact CZ-CD1 4.38Å; F71-Y139 CarbonylContact C-O 3.24Å; F71-Y139 WeakPolarHBondContact CA-O 3.32Å; F71-Y139 HydrophobicContact CE1-CD2 4.47Å
72	Y	89.4	Confident	76.4	Confident	5 Å²	5	63.2 Å²	63.2	2%	0.02	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	170.8	175.2	-62.8	-94.4	0	0	0	111.4	R70 F79 Y139 C141 Y152 I156	R70-Y72 HydrophobicContact CB-CE2 4.46Å; R70-Y72 VanDerWaalsContact CD-CZ 3.45Å; R70-Y72 WeakPolarHBondContact CD-OH 3.42Å; R70-Y72 HydrophobicContact CG-CD2 4.44Å; R70-Y72 HydrophobicContact CG-CE2 3.86Å; Y72-F79 WeakPolarHBondContact CD1-O 3.29Å; Y72-Y139 PolarHBondContact N-O 2.66Å; Y72-C141 VanDerWaalsContact O-CB 3.24Å; Y72-C141 WeakPolarHBondContact O-CB 2.96Å; Y72-C141 PolarHBondContact O-N 3.27Å; Y72-Y152 HydrophobicContact CD1-CD1 4.47Å; Y72-Y152 WeakPolarHBondContact CE1-O 3.5Å; Y72-Y152 HydrophobicContact CG-CD1 4.46Å; Y72-I156 HydrophobicContact CE1-CD1 3.94Å; Y72-I156 WeakPolarHBondContact OH-CD1 3.32Å
73	R	89.4	Confident	78.4	Confident	35 Å²	35	61.6 Å²	61.6	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.6	174.6	-65	167.9	168.7	-176.2	-8	109.9	G75 D76 F79 L105 D107 N110 L111 Y152	R73-G75 PolarHBondContact O-N 3.39Å; R73-D76 HydrophobicContact CB-CB 3.93Å; R73-D76 PolarHBondContact O-N 3.48Å; R73-D76 VanDerWaalsContact O-N 3.09Å; R73-F79 HydrophobicContact CB-CD1 4.36Å; R73-F79 HydrophobicContact CG-CD1 3.86Å; R73-F79 HydrophobicContact CG-CE1 4.01Å; R73-F79 HydrophobicContact CG-CG 4.41Å; R73-L105 PolarHBondContact NH2-O 2.88Å; R73-D107 IonicContact CZ-OD2 2.76Å; R73-D107 VanDerWaalsContact CZ-OD2 3.31Å; R73-D107 IonicContact NH1-OD2 3.75Å; R73-D107 PolarHBondContact NH1-OD2 2.92Å; R73-D107 VanDerWaalsContact NH2-CB 3.3Å; R73-D107 IonicContact NH2-OD2 2.7Å; R73-D107 PolarHBondContact NH2-OD2 2.81Å; R73-N110 HydrophobicContact CB-CB 4.36Å; R73-L111 HydrophobicContact CG-CD1 3.98Å; R73-Y152 WeakPolarHBondContact O-CE1 3.48Å
74	N	87.1	Confident	80.2	Confident	8 Å²	8	57 Å²	57	4%	0.043	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	125.6	179.3	-172.7	38.9	0	0	0	111.7	D76 V140 C141 A142 P146 R148	N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.31Å; N74-V140 HydrophobicContact CB-CG1 4Å; N74-C141 WeakPolarHBondContact CB-O 3.42Å; N74-C141 PolarHBondContact N-O 2.91Å; N74-A142 HydrophobicContact CB-CB 3.85Å; N74-P146 PolarHBondContact ND2-O 2.72Å; N74-R148 PolarHBondContact OD1-N 3.31Å
75	G	78.7	Confident	81.5	Confident	28 Å²	28	55.1 Å²	55.1	29%	0.289	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-13	-177.3	0	0	0	0	0	116	R73 Y152	R73-G75 PolarHBondContact O-N 3.39Å; G75-Y152 PolarHBondContact N-OH 2.81Å
76	D	81.8	Confident	82.6	Confident	23 Å²	23	48.4 Å²	48.4	12%	0.123	24%	0.24	C	C	.	.			trans	-95	106.7	-177.3	-170.1	-16.6	0	0	0	111.8	R73 N74 Y78 F79 Y152	R73-D76 HydrophobicContact CB-CB 3.93Å; R73-D76 PolarHBondContact O-N 3.48Å; R73-D76 VanDerWaalsContact O-N 3.09Å; N74-D76 VanDerWaalsContact C-N 3.31Å; N74-D76 PolarHBondContact O-N 3.31Å; D76-Y78 PolarHBondContact OD1-N 3.43Å; D76-F79 HydrophobicContact CB-CB 4.2Å; D76-F79 VanDerWaalsContact CG-CB 3.43Å; D76-F79 PolarHBondContact OD1-N 3.15Å; D76-F79 WeakPolarHBondContact OD2-CB 3.42Å; D76-Y152 WeakPolarHBondContact O-CD1 3.29Å; D76-Y152 WeakPolarHBondContact O-CE1 3.42Å
77	K	72.7	Confident	83.2	Confident	96 Å²	96	47 Å²	47	42%	0.417	23%	0.227	S	C	.	.	S	Bend	trans	-89.4	-4.6	177.5	71.4	-174.7	-175.9	-177	0	114.6	V150 N155	K77-V150 HydrophobicContact CB-CG1 3.71Å; K77-V150 HydrophobicContact CD-CG1 4.18Å; K77-N155 PolarHBondContact O-ND2 2.85Å; K77-N155 VanDerWaalsContact O-ND2 3.16Å
78	Y	67.9	Low	83	Confident	173 Å²	173	48 Å²	48	68%	0.678	24%	0.235	S	C	*	.	S	Bend	trans	-102.6	-28.2	-177.6	-62.2	-72.9	0	0	0	111.4	D76 K80	D76-Y78 PolarHBondContact OD1-N 3.43Å; Y78-K80 PolarHBondContact O-N 3.15Å
79	F	81.1	Confident	82.6	Confident	53 Å²	53	47.6 Å²	47.6	23%	0.232	24%	0.239	C	C	.	.			trans	-65.4	115.7	171.2	-177.5	-112.5	0	0	0	112.3	F71 Y72 R73 D76 G81 L82 L105	F71-F79 WeakPolarHBondContact O-CE1 3.41Å; Y72-F79 WeakPolarHBondContact CD1-O 3.29Å; R73-F79 HydrophobicContact CB-CD1 4.36Å; R73-F79 HydrophobicContact CG-CD1 3.86Å; R73-F79 HydrophobicContact CG-CE1 4.01Å; R73-F79 HydrophobicContact CG-CG 4.41Å; D76-F79 HydrophobicContact CB-CB 4.2Å; D76-F79 VanDerWaalsContact CG-CB 3.43Å; D76-F79 PolarHBondContact OD1-N 3.15Å; D76-F79 WeakPolarHBondContact OD2-CB 3.42Å; F79-G81 PolarHBondContact O-N 3.33Å; F79-L82 HydrophobicContact CZ-CB 4.09Å; F79-L105 HydrophobicContact CE1-CD2 3.83Å; F79-L105 HydrophobicContact CE2-CD2 4.49Å; F79-L105 HydrophobicContact CZ-CD2 3.48Å; F79-L105 VanDerWaalsContact CZ-CD2 3.48Å
80	K	77.3	Confident	81.9	Confident	132 Å²	132	53.5 Å²	53.5	57%	0.574	26%	0.261	S	S	*	.			trans	-73.2	7.8	-175.6	-61.1	173.5	-177.6	170	0	114.5	R70 Y78 I156	R70-K80 PolarHBondContact NH1-O 2.77Å; Y78-K80 PolarHBondContact O-N 3.15Å; K80-I156 WeakPolarHBondContact O-CD1 3.36Å
81	G	80.8	Confident	81.6	Confident	11 Å²	11	51.5 Å²	51.5	11%	0.113	25%	0.254	C	S	.	.			trans	76.6	130.3	178.8	0	0	0	0	0	114.4	R70 F71 F79	R70-G81 PolarHBondContact NH1-O 3.23Å; F71-G81 CarbonylContact O-C 3.38Å; F71-G81 VanDerWaalsContact O-CA 3.28Å; F71-G81 WeakPolarHBondContact O-CA 3.41Å; F79-G81 PolarHBondContact O-N 3.33Å
82	L	85.2	Confident	80.9	Confident	47 Å²	47	62.4 Å²	62.4	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129	172.7	174.3	64	0	0	0	110	R70 F71 F79 Y84 L101 L105	R70-L82 CarbonylContact C-O 3.57Å; R70-L82 WeakPolarHBondContact CA-O 3.13Å; F71-L82 PolarHBondContact N-O 3.36Å; F71-L82 PolarHBondContact O-N 3.21Å; F79-L82 HydrophobicContact CZ-CB 4.09Å; L82-Y84 HydrophobicContact CD2-CD2 4.32Å; L82-Y84 HydrophobicContact CG-CD2 4.44Å; L82-L101 HydrophobicContact CD2-CD2 4.22Å; L82-L105 HydrophobicContact CB-CD2 3.79Å; L82-L105 HydrophobicContact CD2-CD2 3.8Å; L82-L105 HydrophobicContact CD2-CG 3.97Å; L82-L105 HydrophobicContact CG-CD2 4.44Å
83	V	85.6	Confident	80.8	Confident	57 Å²	57	65.1 Å²	65.1	35%	0.345	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.3	173.8	-177.6	0	0	0	0	109.4	K68 V69 R70	K68-V83 HydrophobicContact CD-CG1 4.36Å; K68-V83 HydrophobicContact CG-CG1 3.85Å; V69-V83 WeakPolarHBondContact O-CA 3.43Å; R70-V83 HydrophobicContact CG-CG2 4.34Å; R70-V83 VanDerWaalsContact NH2-CG2 3.34Å
84	Y	84.7	Confident	80.6	Confident	31 Å²	31	64.6 Å²	64.6	12%	0.122	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.3	-171.9	-142.7	-113.8	0	0	0	112.1	V69 L82 V86 R90 F91 L97 E100	V69-Y84 PolarHBondContact N-O 3.02Å; V69-Y84 PolarHBondContact O-N 3.33Å; L82-Y84 HydrophobicContact CD2-CD2 4.32Å; L82-Y84 HydrophobicContact CG-CD2 4.44Å; Y84-V86 HydrophobicContact CD1-CG2 4.29Å; Y84-R90 PolarHBondContact OH-NH1 2.87Å; Y84-R90 PolarHBondContact OH-NH2 3.39Å; Y84-F91 HydrophobicContact CD1-CE2 4.43Å; Y84-F91 AromaticContact CE1-CE2 3.88Å; Y84-F91 HydrophobicContact CE1-CE2 3.88Å; Y84-F91 AromaticContact CE1-CZ 3.64Å; Y84-F91 HydrophobicContact CE1-CZ 3.64Å; Y84-L97 HydrophobicContact CD1-CD1 4.11Å; Y84-L97 HydrophobicContact CE1-CD1 4.16Å; Y84-E100 HydrophobicContact CE1-CG 4.29Å; Y84-E100 WeakPolarHBondContact OH-CG 3.45Å; Y84-E100 PolarHBondContact OH-OE1 3.33Å
85	A	84.3	Confident	80.6	Confident	49 Å²	49	66 Å²	66	41%	0.405	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.4	176.3	0	0	0	0	0	110.7	R90	A85-R90 PolarHBondContact O-NH1 3.33Å
86	V	83.9	Confident	81	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.8	-172.8	-175.7	0	0	0	0	110.2	R67 F71 Y84 F91 L97 L130 L133	R67-V86 PolarHBondContact N-O 3Å; R67-V86 PolarHBondContact O-N 2.92Å; F71-V86 HydrophobicContact CE2-CG2 4.28Å; F71-V86 HydrophobicContact CZ-CG2 4.46Å; Y84-V86 HydrophobicContact CD1-CG2 4.29Å; V86-F91 HydrophobicContact CG1-CD2 4.11Å; V86-L97 HydrophobicContact CG1-CD2 4.05Å; V86-L97 HydrophobicContact CG2-CD1 4.04Å; V86-L97 HydrophobicContact CG2-CD2 4.11Å; V86-L130 HydrophobicContact CG1-CD2 4.05Å; V86-L133 HydrophobicContact CG1-CD1 4.09Å
87	S	83.2	Confident	81.4	Confident	16 Å²	16	65.4 Å²	65.4	11%	0.112	33%	0.326	C	S	.	.			trans	-123.4	159.9	166.5	68.6	0	0	0	0	110.1	D89 R90 F91	S87-D89 PolarHBondContact O-N 3.27Å; S87-R90 PolarHBondContact O-N 2.6Å; S87-R90 WeakPolarHBondContact OG-CB 2.85Å; S87-R90 PolarHBondContact OG-N 3.34Å; S87-F91 PolarHBondContact O-N 3.27Å
88	N	78.6	Confident	82.3	Confident	51 Å²	51	62 Å²	62	27%	0.273	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.7	176.9	-74.4	32.7	0	0	0	112.1	K64 F91	K64-N88 PolarHBondContact NZ-ND2 2.99Å; N88-F91 CarbonylContact O-C 3.3Å; N88-F91 VanDerWaalsContact O-C 3.3Å; N88-F91 VanDerWaalsContact O-O 3.07Å
89	D	72.6	Confident	83.1	Confident	127 Å²	127	60.7 Å²	60.7	68%	0.679	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-40	174	-45.6	-73.8	0	0	0	111.9	S87	S87-D89 PolarHBondContact O-N 3.27Å
90	R	74.8	Confident	83.4	Confident	126 Å²	126	60.1 Å²	60.1	48%	0.475	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-35.8	179.9	-167.9	174.8	179.8	-115.8	-16	111.8	Y84 A85 S87	Y84-R90 PolarHBondContact OH-NH1 2.87Å; Y84-R90 PolarHBondContact OH-NH2 3.39Å; A85-R90 PolarHBondContact O-NH1 3.33Å; S87-R90 PolarHBondContact O-N 2.6Å; S87-R90 WeakPolarHBondContact OG-CB 2.85Å; S87-R90 PolarHBondContact OG-N 3.34Å
91	F	82.6	Confident	83.9	Confident	13 Å²	13	53.8 Å²	53.8	6%	0.057	29%	0.285	C	S	.	.			trans	-127.7	103.8	177	-60.7	-72.3	0	0	0	110.3	Y84 V86 S87 N88 S93 A96 L97 E100 L130	Y84-F91 HydrophobicContact CD1-CE2 4.43Å; Y84-F91 AromaticContact CE1-CE2 3.88Å; Y84-F91 HydrophobicContact CE1-CE2 3.88Å; Y84-F91 AromaticContact CE1-CZ 3.64Å; Y84-F91 HydrophobicContact CE1-CZ 3.64Å; V86-F91 HydrophobicContact CG1-CD2 4.11Å; S87-F91 PolarHBondContact O-N 3.27Å; N88-F91 CarbonylContact O-C 3.3Å; N88-F91 VanDerWaalsContact O-C 3.3Å; N88-F91 VanDerWaalsContact O-O 3.07Å; F91-S93 PolarHBondContact O-N 3.24Å; F91-A96 HydrophobicContact CD1-CB 4.28Å; F91-L97 HydrophobicContact CB-CB 4.36Å; F91-L97 HydrophobicContact CD1-CB 4.07Å; F91-L97 HydrophobicContact CD1-CD1 4.34Å; F91-L97 HydrophobicContact CD2-CD1 4.04Å; F91-L97 HydrophobicContact CE1-CD1 4.27Å; F91-L97 HydrophobicContact CE2-CD1 3.94Å; F91-L97 HydrophobicContact CG-CB 4.08Å; F91-L97 HydrophobicContact CG-CD1 4.25Å; F91-L97 HydrophobicContact CZ-CD1 4.09Å; F91-E100 HydrophobicContact CE1-CB 4.02Å; F91-E100 HydrophobicContact CE1-CG 4.17Å; F91-E100 HydrophobicContact CZ-CG 4.26Å; F91-L130 HydrophobicContact CB-CD1 3.89Å; F91-L130 WeakPolarHBondContact O-CD1 3.24Å
92	R	77.6	Confident	84.2	Confident	228 Å²	228	55.2 Å²	55.2	86%	0.86	29%	0.292	S	S	*	.	S	Bend	trans	-73.2	-10.9	-179.5	-64.6	-175.2	176.1	91.1	4.6	114.1
93	S	86.2	Confident	84.2	Confident	62 Å²	62	60.9 Å²	60.9	43%	0.434	31%	0.31	S	S	.	.	S	Bend	trans	-156.7	159	175.8	72.7	0	0	0	0	111.2	F91 G95 A96 L97 L130	F91-S93 PolarHBondContact O-N 3.24Å; S93-G95 PolarHBondContact O-N 2.92Å; S93-A96 WeakPolarHBondContact O-CB 3.24Å; S93-A96 PolarHBondContact O-N 3.33Å; S93-A96 VanDerWaalsContact O-N 3.15Å; S93-A96 PolarHBondContact OG-N 2.91Å; S93-L97 PolarHBondContact O-N 2.8Å; S93-L130 VanDerWaalsContact C-CD1 3.47Å
94	L	85.8	Confident	83.9	Confident	25 Å²	25	60.4 Å²	60.4	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-36	175.3	-172.8	64.2	0	0	0	111.4	A96 L97 L98 L118 I127 T128 L130	L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 2.95Å; L94-L97 HydrophobicContact CD1-CD2 4.42Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.15Å; L94-L98 HydrophobicContact CG-CD1 4.11Å; L94-L98 HydrophobicContact CG-CG 4.34Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 3.1Å; L94-L118 HydrophobicContact CD1-CD1 4.03Å; L94-I127 HydrophobicContact CD1-CG2 4.42Å; L94-I127 HydrophobicContact CD2-CG2 4.35Å; L94-I127 WeakPolarHBondContact CD2-O 3.44Å; L94-T128 VanDerWaalsContact CD2-C 3.49Å; L94-T128 WeakPolarHBondContact CD2-O 3.47Å; L94-L130 HydrophobicContact CB-CG 4.29Å; L94-L130 HydrophobicContact CD1-CD2 3.8Å; L94-L130 HydrophobicContact CD1-CG 4.33Å
95	G	87.1	Confident	83.6	Confident	37 Å²	37	59 Å²	59	38%	0.381	30%	0.304	S	S	.	.	H	α-helix	trans	-57.5	-39.6	174.8	0	0	0	0	0	113.7	S93 L98 M99	S93-G95 PolarHBondContact O-N 2.92Å; G95-L98 PolarHBondContact O-N 2.69Å; G95-M99 WeakPolarHBondContact O-CG 3.35Å; G95-M99 PolarHBondContact O-N 3.29Å
96	A	88.3	Confident	82.6	Confident	38 Å²	38	60.7 Å²	60.7	31%	0.314	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-38.8	176.5	0	0	0	0	0	112.2	F91 S93 L94 E100	F91-A96 HydrophobicContact CD1-CB 4.28Å; S93-A96 WeakPolarHBondContact O-CB 3.24Å; S93-A96 PolarHBondContact O-N 3.33Å; S93-A96 VanDerWaalsContact O-N 3.15Å; S93-A96 PolarHBondContact OG-N 2.91Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 2.95Å; A96-E100 PolarHBondContact O-N 3.32Å
97	L	90.3	Very high	81.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-42	174.1	179.4	63.3	0	0	0	111.5	F71 Y84 V86 F91 S93 L94 M99 E100 L101 L130 L133	F71-L97 HydrophobicContact CZ-CD2 4.13Å; Y84-L97 HydrophobicContact CD1-CD1 4.11Å; Y84-L97 HydrophobicContact CE1-CD1 4.16Å; V86-L97 HydrophobicContact CG1-CD2 4.05Å; V86-L97 HydrophobicContact CG2-CD1 4.04Å; V86-L97 HydrophobicContact CG2-CD2 4.11Å; F91-L97 HydrophobicContact CB-CB 4.36Å; F91-L97 HydrophobicContact CD1-CB 4.07Å; F91-L97 HydrophobicContact CD1-CD1 4.34Å; F91-L97 HydrophobicContact CD2-CD1 4.04Å; F91-L97 HydrophobicContact CE1-CD1 4.27Å; F91-L97 HydrophobicContact CE2-CD1 3.94Å; F91-L97 HydrophobicContact CG-CB 4.08Å; F91-L97 HydrophobicContact CG-CD1 4.25Å; F91-L97 HydrophobicContact CZ-CD1 4.09Å; S93-L97 PolarHBondContact O-N 2.8Å; L94-L97 HydrophobicContact CD1-CD2 4.42Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-L97 VanDerWaalsContact O-N 3.15Å; L97-M99 VanDerWaalsContact C-N 3.33Å; L97-M99 PolarHBondContact O-N 3.43Å; L97-E100 PolarHBondContact O-N 2.76Å; L97-L101 HydrophobicContact CD1-CD1 4.08Å; L97-L101 HydrophobicContact CD1-CG 4.03Å; L97-L101 HydrophobicContact CD2-CD1 4.42Å; L97-L101 HydrophobicContact CG-CD1 3.84Å; L97-L101 HydrophobicContact CG-CG 4.24Å; L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.49Å; L97-L101 PolarHBondContact O-N 3.34Å; L97-L130 HydrophobicContact CB-CD2 4.01Å; L97-L130 HydrophobicContact CD2-CD2 3.57Å; L97-L130 HydrophobicContact CG-CD2 4.44Å; L97-L133 HydrophobicContact CD2-CD1 3.62Å
98	L	90.3	Very high	80.4	Confident	24 Å²	24	68.7 Å²	68.7	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-37.2	177.5	-67.7	167.3	0	0	0	112.3	L94 G95 T102 V115 R116 L118	L94-L98 HydrophobicContact CG-CD1 4.11Å; L94-L98 HydrophobicContact CG-CG 4.34Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 3.1Å; G95-L98 PolarHBondContact O-N 2.69Å; L98-T102 WeakPolarHBondContact O-CB 3.32Å; L98-T102 PolarHBondContact O-N 3.14Å; L98-T102 PolarHBondContact O-OG1 2.89Å; L98-V115 HydrophobicContact CD2-CG1 3.7Å; L98-R116 WeakPolarHBondContact CD1-O 3.46Å; L98-R116 WeakPolarHBondContact CD2-O 3.36Å; L98-L118 HydrophobicContact CD2-CB 4.5Å; L98-L118 HydrophobicContact CD2-CD1 3.73Å; L98-L118 HydrophobicContact CD2-CG 3.75Å
99	M	85.8	Confident	79.8	Confident	146 Å²	146	72 Å²	72	72%	0.719	38%	0.375	S	S	*	.	H	α-helix	trans	-67.4	-44	174.4	-72	-179.2	70.2	0	0	112.6	G95 L97 T102 R103	G95-M99 WeakPolarHBondContact O-CG 3.35Å; G95-M99 PolarHBondContact O-N 3.29Å; L97-M99 VanDerWaalsContact C-N 3.33Å; L97-M99 PolarHBondContact O-N 3.43Å; M99-T102 VanDerWaalsContact O-CB 3.29Å; M99-T102 WeakPolarHBondContact O-CB 3.24Å; M99-T102 PolarHBondContact O-N 2.97Å; M99-R103 PolarHBondContact O-N 2.85Å
100	E	86.9	Confident	79.6	Confident	41 Å²	41	68 Å²	68	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-72.5	-33.8	179.1	175	59.4	-176	0	0	112.2	Y84 F91 A96 L97 T102 R103 S104	Y84-E100 HydrophobicContact CE1-CG 4.29Å; Y84-E100 WeakPolarHBondContact OH-CG 3.45Å; Y84-E100 PolarHBondContact OH-OE1 3.33Å; F91-E100 HydrophobicContact CE1-CB 4.02Å; F91-E100 HydrophobicContact CE1-CG 4.17Å; F91-E100 HydrophobicContact CZ-CG 4.26Å; A96-E100 PolarHBondContact O-N 3.32Å; L97-E100 PolarHBondContact O-N 2.76Å; E100-T102 VanDerWaalsContact C-N 3.34Å; E100-R103 PolarHBondContact O-N 2.99Å; E100-R103 IonicContact OE1-CZ 2.78Å; E100-R103 IonicContact OE1-NE 3.42Å; E100-R103 IonicContact OE1-NH2 3.51Å; E100-R103 PolarHBondContact OE1-NH2 3.26Å; E100-R103 IonicContact OE2-CZ 3.21Å; E100-R103 IonicContact OE2-NE 3.56Å; E100-R103 PolarHBondContact OE2-NE 3.21Å; E100-R103 IonicContact OE2-NH2 2.72Å; E100-R103 PolarHBondContact OE2-NH2 2.72Å; E100-S104 VanDerWaalsContact O-CB 3.31Å; E100-S104 WeakPolarHBondContact O-CB 3.44Å; E100-S104 PolarHBondContact O-N 3.38Å; E100-S104 PolarHBondContact O-OG 3.18Å
101	L	87.8	Confident	79.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-35.2	168.4	-71.6	174.9	0	0	0	111.6	F71 L82 L97 S104 L105 V115 L118	F71-L101 HydrophobicContact CB-CD2 4.37Å; F71-L101 HydrophobicContact CD1-CD1 3.94Å; F71-L101 HydrophobicContact CD2-CD1 4.17Å; F71-L101 HydrophobicContact CD2-CD2 3.74Å; F71-L101 HydrophobicContact CE1-CD1 3.95Å; F71-L101 HydrophobicContact CE2-CD1 4.17Å; F71-L101 HydrophobicContact CE2-CD2 4.21Å; F71-L101 HydrophobicContact CG-CD1 4.06Å; F71-L101 HydrophobicContact CG-CD2 4.03Å; F71-L101 HydrophobicContact CZ-CD1 4.07Å; L82-L101 HydrophobicContact CD2-CD2 4.22Å; L97-L101 HydrophobicContact CD1-CD1 4.08Å; L97-L101 HydrophobicContact CD1-CG 4.03Å; L97-L101 HydrophobicContact CD2-CD1 4.42Å; L97-L101 HydrophobicContact CG-CD1 3.84Å; L97-L101 HydrophobicContact CG-CG 4.24Å; L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.49Å; L97-L101 PolarHBondContact O-N 3.34Å; L101-S104 PolarHBondContact O-N 2.67Å; L101-L105 HydrophobicContact CB-CD1 4.47Å; L101-L105 HydrophobicContact CD2-CD1 4.37Å; L101-L105 VanDerWaalsContact O-CB 3.26Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 PolarHBondContact O-N 2.88Å; L101-V115 HydrophobicContact CB-CB 4.31Å; L101-V115 HydrophobicContact CB-CG1 4.4Å; L101-V115 HydrophobicContact CB-CG2 4.12Å; L101-L118 HydrophobicContact CD1-CD1 4.28Å; L101-L118 HydrophobicContact CD1-CD2 4.45Å
102	T	87.2	Confident	79.2	Confident	40 Å²	40	64.6 Å²	64.6	25%	0.245	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-46.5	171.1	-65.3	0	0	0	0	111.2	L98 M99 E100 S104 S106 V115	L98-T102 WeakPolarHBondContact O-CB 3.32Å; L98-T102 PolarHBondContact O-N 3.14Å; L98-T102 PolarHBondContact O-OG1 2.89Å; M99-T102 VanDerWaalsContact O-CB 3.29Å; M99-T102 WeakPolarHBondContact O-CB 3.24Å; M99-T102 PolarHBondContact O-N 2.97Å; E100-T102 VanDerWaalsContact C-N 3.34Å; T102-S104 VanDerWaalsContact C-N 3.32Å; T102-S104 PolarHBondContact O-N 3.31Å; T102-S106 WeakPolarHBondContact O-CA 3.27Å; T102-S106 VanDerWaalsContact O-CB 3.32Å; T102-S106 WeakPolarHBondContact O-CB 3.47Å; T102-S106 PolarHBondContact O-N 3.28Å; T102-S106 VanDerWaalsContact O-N 3.11Å; T102-V115 PolarHBondContact OG1-N 2.84Å; T102-V115 PolarHBondContact OG1-O 3.3Å
103	R	84.1	Confident	79.2	Confident	167 Å²	167	58.9 Å²	58.9	63%	0.63	33%	0.332	S	S	*	.	H	α-helix	trans	-66.6	-31.4	176.9	-165	-171	68	78.9	4.5	113.1	M99 E100	M99-R103 PolarHBondContact O-N 2.85Å; E100-R103 PolarHBondContact O-N 2.99Å; E100-R103 IonicContact OE1-CZ 2.78Å; E100-R103 IonicContact OE1-NE 3.42Å; E100-R103 IonicContact OE1-NH2 3.51Å; E100-R103 PolarHBondContact OE1-NH2 3.26Å; E100-R103 IonicContact OE2-CZ 3.21Å; E100-R103 IonicContact OE2-NE 3.56Å; E100-R103 PolarHBondContact OE2-NE 3.21Å; E100-R103 IonicContact OE2-NH2 2.72Å; E100-R103 PolarHBondContact OE2-NH2 2.72Å
104	S	80.1	Confident	79	Confident	46 Å²	46	56.4 Å²	56.4	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-91.6	-18.5	-174.8	-54	0	0	0	0	114.5	E100 L101 T102	E100-S104 VanDerWaalsContact O-CB 3.31Å; E100-S104 WeakPolarHBondContact O-CB 3.44Å; E100-S104 PolarHBondContact O-N 3.38Å; E100-S104 PolarHBondContact O-OG 3.18Å; L101-S104 PolarHBondContact O-N 2.67Å; T102-S104 VanDerWaalsContact C-N 3.32Å; T102-S104 PolarHBondContact O-N 3.31Å
105	L	78.9	Confident	79.2	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-117	-0	-178.5	-66.3	172.7	0	0	0	113.4	F71 R73 F79 L82 L101 D107 L111 V115 C141	F71-L105 HydrophobicContact CB-CD1 4.47Å; R73-L105 PolarHBondContact NH2-O 2.88Å; F79-L105 HydrophobicContact CE1-CD2 3.83Å; F79-L105 HydrophobicContact CE2-CD2 4.49Å; F79-L105 HydrophobicContact CZ-CD2 3.48Å; F79-L105 VanDerWaalsContact CZ-CD2 3.48Å; L82-L105 HydrophobicContact CB-CD2 3.79Å; L82-L105 HydrophobicContact CD2-CD2 3.8Å; L82-L105 HydrophobicContact CD2-CG 3.97Å; L82-L105 HydrophobicContact CG-CD2 4.44Å; L101-L105 HydrophobicContact CB-CD1 4.47Å; L101-L105 HydrophobicContact CD2-CD1 4.37Å; L101-L105 VanDerWaalsContact O-CB 3.26Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 PolarHBondContact O-N 2.88Å; L105-D107 PolarHBondContact O-N 2.76Å; L105-D107 VanDerWaalsContact O-N 3.1Å; L105-L111 HydrophobicContact CB-CD1 3.86Å; L105-V115 HydrophobicContact CB-CG2 4.47Å; L105-V115 HydrophobicContact CD1-CG2 4.22Å; L105-C141 HydrophobicContact CD1-CB 4.07Å; L105-C141 VanDerWaalsContact CD1-SG 3.56Å
106	S	62.5	Low	79.3	Confident	84 Å²	84	59.6 Å²	59.6	59%	0.587	32%	0.316	S	S	*	.			trans	-44.8	110.8	-171.9	55	0	0	0	0	112.8	T102	T102-S106 WeakPolarHBondContact O-CA 3.27Å; T102-S106 VanDerWaalsContact O-CB 3.32Å; T102-S106 WeakPolarHBondContact O-CB 3.47Å; T102-S106 PolarHBondContact O-N 3.28Å; T102-S106 VanDerWaalsContact O-N 3.11Å
107	D	64.3	Low	79.3	Confident	43 Å²	43	60.5 Å²	60.5	23%	0.23	31%	0.314	C	S	.	.			trans	-152.5	118.1	-178.8	-171.1	-41.9	0	0	0	108.4	R73 L105 V109 L111	R73-D107 IonicContact CZ-OD2 2.76Å; R73-D107 VanDerWaalsContact CZ-OD2 3.31Å; R73-D107 IonicContact NH1-OD2 3.75Å; R73-D107 PolarHBondContact NH1-OD2 2.92Å; R73-D107 VanDerWaalsContact NH2-CB 3.3Å; R73-D107 IonicContact NH2-OD2 2.7Å; R73-D107 PolarHBondContact NH2-OD2 2.81Å; L105-D107 PolarHBondContact O-N 2.76Å; L105-D107 VanDerWaalsContact O-N 3.1Å; D107-V109 PolarHBondContact O-N 2.7Å; D107-V109 WeakPolarHBondContact OD1-CB 3.29Å; D107-V109 PolarHBondContact OD1-N 2.77Å; D107-L111 CarbonylContact O-C 3.56Å; D107-L111 VanDerWaalsContact O-C 3.24Å; D107-L111 WeakPolarHBondContact O-CA 3.39Å; D107-L111 PolarHBondContact O-N 2.93Å
108	N	56.8	Low	79.3	Confident	141 Å²	141	60.5 Å²	60.5	75%	0.754	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.2	-171.9	-62.2	-24.1	0	0	0	112.7
109	V	65.3	Low	79.3	Confident	120 Å²	120	61.4 Å²	61.4	73%	0.727	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-39.3	179.6	-174.4	0	0	0	0	111.7	D107	D107-V109 PolarHBondContact O-N 2.7Å; D107-V109 WeakPolarHBondContact OD1-CB 3.29Å; D107-V109 PolarHBondContact OD1-N 2.77Å
110	N	68.8	Low	79.5	Confident	45 Å²	45	55.5 Å²	55.5	24%	0.241	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-18.2	-175.8	-63.6	101.4	0	0	0	114.5	R73	R73-N110 HydrophobicContact CB-CB 4.36Å
111	L	79.3	Confident	79.3	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	29%	0.289	C	S	.	.			trans	-138.5	57.5	179.9	-69.5	171.9	0	0	0	111.2	R73 L105 D107 Q113 G114 V115 S143	R73-L111 HydrophobicContact CG-CD1 3.98Å; L105-L111 HydrophobicContact CB-CD1 3.86Å; D107-L111 CarbonylContact O-C 3.56Å; D107-L111 VanDerWaalsContact O-C 3.24Å; D107-L111 WeakPolarHBondContact O-CA 3.39Å; D107-L111 PolarHBondContact O-N 2.93Å; L111-Q113 PolarHBondContact O-N 2.65Å; L111-G114 PolarHBondContact O-N 3.02Å; L111-V115 HydrophobicContact CD1-CG2 3.78Å; L111-V115 HydrophobicContact CD2-CG2 4.48Å; L111-S143 VanDerWaalsContact CA-OG 3.3Å; L111-S143 WeakPolarHBondContact CA-OG 3.42Å
112	P	69.7	Low	78.8	Confident	64 Å²	64	60.1 Å²	60.1	42%	0.416	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.8	-169.2	25.3	-36.3	0	0	0	115.6
113	Q	78.6	Confident	78.4	Confident	107 Å²	107	59 Å²	59	50%	0.5	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	16.3	176	-57.4	179.5	8.4	0	0	112.5	L111 R116 S143 N144	L111-Q113 PolarHBondContact O-N 2.65Å; Q113-R116 PolarHBondContact O-NE 2.79Å; Q113-R116 PolarHBondContact O-NH2 3.27Å; Q113-S143 PolarHBondContact N-OG 3.19Å; Q113-N144 PolarHBondContact OE1-ND2 2.79Å
114	G	82.4	Confident	77.9	Confident	10 Å²	10	53.9 Å²	53.9	10%	0.103	31%	0.311	C	S	.	.			trans	76.7	-174.5	-169.7	0	0	0	0	0	113.3	L111 R116 S143	L111-G114 PolarHBondContact O-N 3.02Å; G114-R116 PolarHBondContact O-N 3.38Å; G114-S143 WeakPolarHBondContact O-CA 3.11Å; G114-S143 WeakPolarHBondContact O-CB 3.15Å; G114-S143 PolarHBondContact O-OG 2.79Å
115	V	89	Confident	78	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	33%	0.328	C	S	.	.	S	Bend	trans	-81.4	116.8	174.7	-174.5	0	0	0	0	109	L98 L101 T102 L105 L111 C141	L98-V115 HydrophobicContact CD2-CG1 3.7Å; L101-V115 HydrophobicContact CB-CB 4.31Å; L101-V115 HydrophobicContact CB-CG1 4.4Å; L101-V115 HydrophobicContact CB-CG2 4.12Å; T102-V115 PolarHBondContact OG1-N 2.84Å; T102-V115 PolarHBondContact OG1-O 3.3Å; L105-V115 HydrophobicContact CB-CG2 4.47Å; L105-V115 HydrophobicContact CD1-CG2 4.22Å; L111-V115 HydrophobicContact CD1-CG2 3.78Å; L111-V115 HydrophobicContact CD2-CG2 4.48Å; V115-C141 HydrophobicContact CB-CB 4.4Å; V115-C141 HydrophobicContact CG1-CB 3.66Å; V115-C141 HydrophobicContact CG2-CB 3.81Å
116	R	89	Confident	78.5	Confident	128 Å²	128	64.6 Å²	64.6	48%	0.483	35%	0.347	S	S	.	.			trans	-118.2	-57.3	176	-53.2	-61.4	175.6	151.3	-0.2	109.4	L98 Q113 G114 A142	L98-R116 WeakPolarHBondContact CD1-O 3.46Å; L98-R116 WeakPolarHBondContact CD2-O 3.36Å; Q113-R116 PolarHBondContact O-NE 2.79Å; Q113-R116 PolarHBondContact O-NH2 3.27Å; G114-R116 PolarHBondContact O-N 3.38Å; R116-A142 PolarHBondContact N-O 3.24Å
117	M	88.1	Confident	79.9	Confident	56 Å²	56	61 Å²	61	28%	0.276	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	139.2	168.6	49.7	-101.2	-33.9	0	0	113.9	Y119 K126 A142	M117-Y119 HydrophobicContact CB-CE2 3.85Å; M117-Y119 HydrophobicContact CG-CE2 4.21Å; M117-K126 HydrophobicContact CB-CG 4.5Å; M117-K126 VanDerWaalsContact CE-CE 3.5Å; M117-K126 HydrophobicContact CG-CD 4.38Å; M117-K126 VanDerWaalsContact CG-CE 3.44Å; M117-K126 PolarHBondContact SD-NZ 2.94Å; M117-K126 VanDerWaalsContact SD-NZ 3.38Å; M117-A142 PolarHBondContact N-O 3.29Å; M117-A142 PolarHBondContact O-N 2.99Å
118	L	91.1	Very high	80.9	Confident	1 Å²	1	64 Å²	64	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.1	151.2	-85.8	170.3	0	0	0	108.8	F71 L94 L98 L101 I127 V140 C141	F71-L118 HydrophobicContact CD1-CD2 3.53Å; F71-L118 HydrophobicContact CE1-CD1 4.05Å; F71-L118 HydrophobicContact CE1-CD2 3.59Å; L94-L118 HydrophobicContact CD1-CD1 4.03Å; L98-L118 HydrophobicContact CD2-CB 4.5Å; L98-L118 HydrophobicContact CD2-CD1 3.73Å; L98-L118 HydrophobicContact CD2-CG 3.75Å; L101-L118 HydrophobicContact CD1-CD1 4.28Å; L101-L118 HydrophobicContact CD1-CD2 4.45Å; L118-I127 HydrophobicContact CB-CB 3.96Å; L118-I127 HydrophobicContact CB-CG1 4.24Å; L118-I127 PolarHBondContact O-N 3.34Å; L118-V140 WeakPolarHBondContact CA-O 3.45Å; L118-C141 HydrophobicContact CD2-CB 4.49Å; L118-C141 VanDerWaalsContact CD2-SG 3.58Å
119	Y	89.6	Confident	82.2	Confident	43 Å²	43	59.4 Å²	59.4	17%	0.169	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159.7	-179.6	-68.4	-94.1	0	0	0	110.5	M117 R125 K126 Y139 V140 A142 F147	M117-Y119 HydrophobicContact CB-CE2 3.85Å; M117-Y119 HydrophobicContact CG-CE2 4.21Å; Y119-R125 CarbonylContact C-O 3.55Å; Y119-R125 WeakPolarHBondContact CA-O 3.45Å; Y119-K126 HydrophobicContact CD1-CB 3.98Å; Y119-K126 HydrophobicContact CE1-CB 3.74Å; Y119-K126 HydrophobicContact CE1-CD 4.31Å; Y119-K126 HydrophobicContact CE1-CG 4.09Å; Y119-Y139 CarbonylContact O-C 3.54Å; Y119-Y139 WeakPolarHBondContact O-CA 3.31Å; Y119-Y139 WeakPolarHBondContact O-CB 3.35Å; Y119-V140 PolarHBondContact N-O 3.4Å; Y119-V140 PolarHBondContact O-N 2.82Å; Y119-A142 HydrophobicContact CD2-CB 4.22Å; Y119-A142 HydrophobicContact CE2-CB 4.13Å; Y119-F147 HydrophobicContact CG-CD2 4.15Å
120	T	89.3	Confident	83.1	Confident	21 Å²	21	54.3 Å²	54.3	13%	0.129	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	162.4	166.3	53.6	0	0	0	0	111.1	D122 G123 R125 I127 Y139	T120-D122 VanDerWaalsContact C-N 3.26Å; T120-D122 WeakPolarHBondContact CB-OD1 3.48Å; T120-D122 PolarHBondContact O-N 3.45Å; T120-D122 PolarHBondContact OG1-OD1 2.75Å; T120-G123 WeakPolarHBondContact O-CA 2.92Å; T120-G123 PolarHBondContact O-N 2.92Å; T120-R125 HydrophobicContact CG2-CB 4.26Å; T120-R125 PolarHBondContact N-O 2.96Å; T120-R125 PolarHBondContact OG1-N 2.88Å; T120-R125 PolarHBondContact OG1-O 3.32Å; T120-I127 HydrophobicContact CG2-CD1 4.07Å; T120-Y139 HydrophobicContact CG2-CD1 4.32Å; T120-Y139 HydrophobicContact CG2-CE1 4.2Å
121	V	82.7	Confident	83.7	Confident	34 Å²	34	55.5 Å²	55.5	21%	0.206	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.4	-175.9	-178.5	0	0	0	0	113.3	G123 S138 F147 Y152 T153	V121-G123 VanDerWaalsContact C-N 3.25Å; V121-G123 PolarHBondContact O-N 2.74Å; V121-S138 WeakPolarHBondContact CG2-O 3.36Å; V121-F147 WeakPolarHBondContact O-CZ 3.28Å; V121-Y152 HydrophobicContact CG1-CD2 4.19Å; V121-T153 HydrophobicContact CG1-CG2 4.28Å
122	D	78.6	Confident	84	Confident	104 Å²	104	58.6 Å²	58.6	56%	0.556	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.3	173.5	64.5	-48.3	0	0	0	113.3	T120 G124	T120-D122 VanDerWaalsContact C-N 3.26Å; T120-D122 WeakPolarHBondContact CB-OD1 3.48Å; T120-D122 PolarHBondContact O-N 3.45Å; T120-D122 PolarHBondContact OG1-OD1 2.75Å; D122-G124 PolarHBondContact O-N 3.42Å; D122-G124 VanDerWaalsContact O-N 3.13Å; D122-G124 PolarHBondContact OD2-N 2.84Å
123	G	78.1	Confident	84.7	Confident	17 Å²	17	55.5 Å²	55.5	18%	0.175	29%	0.289	C	S	.	.	S	Bend	trans	73.3	-10.1	-176.1	0	0	0	0	0	115.4	T120 V121 R125	T120-G123 WeakPolarHBondContact O-CA 2.92Å; T120-G123 PolarHBondContact O-N 2.92Å; V121-G123 VanDerWaalsContact C-N 3.25Å; V121-G123 PolarHBondContact O-N 2.74Å; G123-R125 PolarHBondContact O-N 2.74Å
124	G	73.1	Confident	84.9	Confident	59 Å²	59	55.1 Å²	55.1	61%	0.608	29%	0.29	S	S	*	.	S	Bend	trans	-64.3	-22.3	-171.8	0	0	0	0	0	114.7	D122	D122-G124 PolarHBondContact O-N 3.42Å; D122-G124 VanDerWaalsContact O-N 3.13Å; D122-G124 PolarHBondContact OD2-N 2.84Å
125	R	83.8	Confident	84.8	Confident	182 Å²	182	59.4 Å²	59.4	69%	0.687	31%	0.307	S	S	*	.			trans	-134.2	141.7	175.9	-75.5	176.8	-73.1	-160.7	-2.2	112.7	Y119 T120 G123	Y119-R125 CarbonylContact C-O 3.55Å; Y119-R125 WeakPolarHBondContact CA-O 3.45Å; T120-R125 HydrophobicContact CG2-CB 4.26Å; T120-R125 PolarHBondContact N-O 2.96Å; T120-R125 PolarHBondContact OG1-N 2.88Å; T120-R125 PolarHBondContact OG1-O 3.32Å; G123-R125 PolarHBondContact O-N 2.74Å
126	K	88.2	Confident	84.1	Confident	93 Å²	93	60.3 Å²	60.3	40%	0.404	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-96.3	131.6	172.8	178.6	176.4	174.1	169.8	0	108.9	M117 Y119	M117-K126 HydrophobicContact CB-CG 4.5Å; M117-K126 VanDerWaalsContact CE-CE 3.5Å; M117-K126 HydrophobicContact CG-CD 4.38Å; M117-K126 VanDerWaalsContact CG-CE 3.44Å; M117-K126 PolarHBondContact SD-NZ 2.94Å; M117-K126 VanDerWaalsContact SD-NZ 3.38Å; Y119-K126 HydrophobicContact CD1-CB 3.98Å; Y119-K126 HydrophobicContact CE1-CB 3.74Å; Y119-K126 HydrophobicContact CE1-CD 4.31Å; Y119-K126 HydrophobicContact CE1-CG 4.09Å
127	I	91.8	Very high	84	Confident	9 Å²	9	59 Å²	59	5%	0.046	32%	0.317	C	S	.	.			trans	-79.1	127.8	-178.4	-55	-55.3	0	0	0	109.9	L94 L118 T120 S129 E132 L133 Y139	L94-I127 HydrophobicContact CD1-CG2 4.42Å; L94-I127 HydrophobicContact CD2-CG2 4.35Å; L94-I127 WeakPolarHBondContact CD2-O 3.44Å; L118-I127 HydrophobicContact CB-CB 3.96Å; L118-I127 HydrophobicContact CB-CG1 4.24Å; L118-I127 PolarHBondContact O-N 3.34Å; T120-I127 HydrophobicContact CG2-CD1 4.07Å; I127-S129 VanDerWaalsContact CG2-O 3.31Å; I127-S129 WeakPolarHBondContact CG2-O 3.41Å; I127-E132 WeakPolarHBondContact CA-OE2 3.45Å; I127-E132 HydrophobicContact CD1-CB 4.25Å; I127-E132 HydrophobicContact CG2-CB 4.11Å; I127-L133 HydrophobicContact CG2-CD2 4.12Å; I127-L133 HydrophobicContact CG2-CG 4.42Å; I127-Y139 HydrophobicContact CD1-CD1 3.8Å; I127-Y139 HydrophobicContact CD1-CE1 3.6Å; I127-Y139 HydrophobicContact CG1-CD1 3.72Å; I127-Y139 HydrophobicContact CG1-CE1 4.01Å
128	T	85.3	Confident	84.1	Confident	106 Å²	106	57.2 Å²	57.2	65%	0.65	31%	0.309	S	S	*	.			trans	-112.7	-24.4	-176.3	67.4	0	0	0	0	114.4	L94 E132	L94-T128 VanDerWaalsContact CD2-C 3.49Å; L94-T128 WeakPolarHBondContact CD2-O 3.47Å; T128-E132 PolarHBondContact N-OE1 2.89Å; T128-E132 PolarHBondContact N-OE2 3.03Å; T128-E132 PolarHBondContact OG1-OE1 3.23Å
129	S	84	Confident	84.1	Confident	44 Å²	44	57.6 Å²	57.6	31%	0.308	31%	0.311	S	S	.	.	S	Bend	trans	-133	161.6	178.1	71.9	0	0	0	0	111.6	I127 D131 E132	I127-S129 VanDerWaalsContact CG2-O 3.31Å; I127-S129 WeakPolarHBondContact CG2-O 3.41Å; S129-D131 PolarHBondContact O-N 3.37Å; S129-E132 VanDerWaalsContact CB-OE1 3.29Å; S129-E132 WeakPolarHBondContact CB-OE1 3.31Å; S129-E132 PolarHBondContact N-OE1 3.42Å; S129-E132 PolarHBondContact OG-OE1 3.31Å
130	L	84.1	Confident	84.1	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.068	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-70	-17.8	174	-72.5	171.7	0	0	0	113.2	V86 F91 S93 L94 L97 L133	V86-L130 HydrophobicContact CG1-CD2 4.05Å; F91-L130 HydrophobicContact CB-CD1 3.89Å; F91-L130 WeakPolarHBondContact O-CD1 3.24Å; S93-L130 VanDerWaalsContact C-CD1 3.47Å; L94-L130 HydrophobicContact CB-CG 4.29Å; L94-L130 HydrophobicContact CD1-CD2 3.8Å; L94-L130 HydrophobicContact CD1-CG 4.33Å; L97-L130 HydrophobicContact CB-CD2 4.01Å; L97-L130 HydrophobicContact CD2-CD2 3.57Å; L97-L130 HydrophobicContact CG-CD2 4.44Å; L130-L133 HydrophobicContact CD2-CD1 3.99Å; L130-L133 PolarHBondContact O-N 2.78Å
131	D	82.5	Confident	84.2	Confident	69 Å²	69	54.5 Å²	54.5	37%	0.369	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-81.2	-17.9	-177	-78.8	-47.8	0	0	0	113.5	K64 R67 S129 L133	K64-D131 VanDerWaalsContact CE-OD1 3.24Å; K64-D131 WeakPolarHBondContact CE-OD1 3.46Å; K64-D131 IonicContact NZ-OD1 2.61Å; K64-D131 PolarHBondContact NZ-OD1 3.4Å; K64-D131 IonicContact NZ-OD2 2.81Å; K64-D131 PolarHBondContact NZ-OD2 3.16Å; R67-D131 IonicContact CZ-OD1 3.46Å; R67-D131 PolarHBondContact NH1-O 2.64Å; R67-D131 IonicContact NH1-OD1 3.41Å; R67-D131 IonicContact NH2-OD1 2.76Å; R67-D131 PolarHBondContact NH2-OD1 3.23Å; S129-D131 PolarHBondContact O-N 3.37Å; D131-L133 VanDerWaalsContact C-N 3.26Å; D131-L133 PolarHBondContact O-N 2.76Å
132	E	84.3	Confident	84.5	Confident	68 Å²	68	52.9 Å²	52.9	32%	0.318	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-73.6	-12.2	169.8	-68.5	154.4	-118.7	0	0	113.7	I127 T128 S129 Y139	I127-E132 WeakPolarHBondContact CA-OE2 3.45Å; I127-E132 HydrophobicContact CD1-CB 4.25Å; I127-E132 HydrophobicContact CG2-CB 4.11Å; T128-E132 PolarHBondContact N-OE1 2.89Å; T128-E132 PolarHBondContact N-OE2 3.03Å; T128-E132 PolarHBondContact OG1-OE1 3.23Å; S129-E132 VanDerWaalsContact CB-OE1 3.29Å; S129-E132 WeakPolarHBondContact CB-OE1 3.31Å; S129-E132 PolarHBondContact N-OE1 3.42Å; S129-E132 PolarHBondContact OG-OE1 3.31Å; E132-Y139 PolarHBondContact O-OH 2.84Å; E132-Y139 VanDerWaalsContact O-OH 3.08Å
133	L	85.3	Confident	84.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.			trans	-78.3	130	172.9	-60.9	175.7	0	0	0	109.4	R67 V69 F71 V86 L97 I127 L130 D131 Y139	R67-L133 WeakPolarHBondContact CD-O 3.31Å; R67-L133 PolarHBondContact NE-O 3.11Å; R67-L133 PolarHBondContact NH1-O 2.86Å; V69-L133 HydrophobicContact CG2-CB 4.49Å; F71-L133 HydrophobicContact CE1-CD2 4.46Å; F71-L133 HydrophobicContact CZ-CD1 4.38Å; V86-L133 HydrophobicContact CG1-CD1 4.09Å; L97-L133 HydrophobicContact CD2-CD1 3.62Å; I127-L133 HydrophobicContact CG2-CD2 4.12Å; I127-L133 HydrophobicContact CG2-CG 4.42Å; L130-L133 HydrophobicContact CD2-CD1 3.99Å; L130-L133 PolarHBondContact O-N 2.78Å; D131-L133 VanDerWaalsContact C-N 3.26Å; D131-L133 PolarHBondContact O-N 2.76Å; L133-Y139 WeakPolarHBondContact CA-OH 3.04Å; L133-Y139 HydrophobicContact CD2-CD1 3.97Å; L133-Y139 HydrophobicContact CD2-CD2 3.77Å; L133-Y139 HydrophobicContact CD2-CE1 3.88Å; L133-Y139 HydrophobicContact CD2-CE2 3.69Å; L133-Y139 HydrophobicContact CD2-CG 3.92Å
134	L	82.3	Confident	85	Confident	99 Å²	99	52.6 Å²	52.6	52%	0.518	28%	0.282	S	S	.	.			trans	-112.5	147.6	-178.2	-58.2	178.8	0	0	0	111.3	G136 E137 Y139	L134-G136 PolarHBondContact O-N 2.85Å; L134-E137 HydrophobicContact CB-CB 4.05Å; L134-E137 HydrophobicContact CB-CG 3.77Å; L134-E137 HydrophobicContact CD1-CG 4.33Å; L134-E137 PolarHBondContact O-N 2.76Å; L134-Y139 PolarHBondContact N-OH 2.76Å
135	E	80.6	Confident	85.2	Confident	99 Å²	99	53 Å²	53	46%	0.463	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	124.8	175.8	-176.1	173.2	-163.3	0	0	109.8	K65 R67	K65-E135 IonicContact NZ-OE1 2.74Å; K65-E135 PolarHBondContact NZ-OE1 3.36Å; K65-E135 IonicContact NZ-OE2 3.69Å; K65-E135 PolarHBondContact NZ-OE2 2.96Å; R67-E135 HydrophobicContact CB-CB 4.2Å; R67-E135 HydrophobicContact CG-CB 4.29Å
136	G	75.1	Confident	84.7	Confident	22 Å²	22	49.1 Å²	49.1	23%	0.227	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-7.7	-175.3	0	0	0	0	0	115	K68 L134 W160	K68-G136 PolarHBondContact O-N 2.86Å; L134-G136 PolarHBondContact O-N 2.85Å; G136-W160 WeakPolarHBondContact O-CH2 3.2Å
137	E	86.4	Confident	84.4	Confident	100 Å²	100	46.8 Å²	46.8	47%	0.467	26%	0.256	S	S	.	.			trans	-86	162.5	-178.9	-77.5	-56.4	151.5	0	0	114.5	R70 L134 Y139	R70-E137 PolarHBondContact N-O 2.8Å; R70-E137 VanDerWaalsContact N-O 3.07Å; L134-E137 HydrophobicContact CB-CB 4.05Å; L134-E137 HydrophobicContact CB-CG 3.77Å; L134-E137 HydrophobicContact CD1-CG 4.33Å; L134-E137 PolarHBondContact O-N 2.76Å; E137-Y139 HydrophobicContact CB-CE2 3.59Å; E137-Y139 WeakPolarHBondContact CB-OH 3.31Å
138	S	89.6	Confident	83.8	Confident	18 Å²	18	52.7 Å²	52.7	13%	0.126	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.2	-177.6	-72.8	0	0	0	0	111.7	R70 V121	R70-S138 CarbonylContact O-C 3.59Å; R70-S138 WeakPolarHBondContact O-CA 3.29Å; V121-S138 WeakPolarHBondContact CG2-O 3.36Å
139	Y	91.5	Very high	83.3	Confident	9 Å²	9	52.7 Å²	52.7	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.1	-177.1	-57.3	-90.5	0	0	0	110.6	V69 R70 F71 Y72 Y119 T120 I127 E132 L133 L134 E137	V69-Y139 HydrophobicContact CG1-CD2 3.38Å; V69-Y139 HydrophobicContact CG1-CE2 3.66Å; R70-Y139 PolarHBondContact O-N 3.49Å; F71-Y139 CarbonylContact C-O 3.24Å; F71-Y139 WeakPolarHBondContact CA-O 3.32Å; F71-Y139 HydrophobicContact CE1-CD2 4.47Å; Y72-Y139 PolarHBondContact N-O 2.66Å; Y119-Y139 CarbonylContact O-C 3.54Å; Y119-Y139 WeakPolarHBondContact O-CA 3.31Å; Y119-Y139 WeakPolarHBondContact O-CB 3.35Å; T120-Y139 HydrophobicContact CG2-CD1 4.32Å; T120-Y139 HydrophobicContact CG2-CE1 4.2Å; I127-Y139 HydrophobicContact CD1-CD1 3.8Å; I127-Y139 HydrophobicContact CD1-CE1 3.6Å; I127-Y139 HydrophobicContact CG1-CD1 3.72Å; I127-Y139 HydrophobicContact CG1-CE1 4.01Å; E132-Y139 PolarHBondContact O-OH 2.84Å; E132-Y139 VanDerWaalsContact O-OH 3.08Å; L133-Y139 WeakPolarHBondContact CA-OH 3.04Å; L133-Y139 HydrophobicContact CD2-CD1 3.97Å; L133-Y139 HydrophobicContact CD2-CD2 3.77Å; L133-Y139 HydrophobicContact CD2-CE1 3.88Å; L133-Y139 HydrophobicContact CD2-CE2 3.69Å; L133-Y139 HydrophobicContact CD2-CG 3.92Å; L134-Y139 PolarHBondContact N-OH 2.76Å; E137-Y139 HydrophobicContact CB-CE2 3.59Å; E137-Y139 WeakPolarHBondContact CB-OH 3.31Å
140	V	90.1	Very high	83	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.3	-177.6	-177	0	0	0	0	109.4	N74 L118 Y119 F147 Y152	N74-V140 HydrophobicContact CB-CG1 4Å; L118-V140 WeakPolarHBondContact CA-O 3.45Å; Y119-V140 PolarHBondContact N-O 3.4Å; Y119-V140 PolarHBondContact O-N 2.82Å; V140-F147 HydrophobicContact CB-CE2 3.96Å; V140-F147 HydrophobicContact CG1-CD2 4.41Å; V140-F147 HydrophobicContact CG1-CE2 4.05Å; V140-F147 HydrophobicContact CG2-CE2 3.98Å; V140-Y152 HydrophobicContact CG1-CE2 4.41Å; V140-Y152 HydrophobicContact CG2-CD2 3.88Å; V140-Y152 HydrophobicContact CG2-CE2 3.87Å; V140-Y152 HydrophobicContact CG2-CG 4.37Å
141	C	91.3	Very high	82.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.5	171.1	-65.8	0	0	0	0	110	Y72 N74 L105 V115 L118	Y72-C141 VanDerWaalsContact O-CB 3.24Å; Y72-C141 WeakPolarHBondContact O-CB 2.96Å; Y72-C141 PolarHBondContact O-N 3.27Å; N74-C141 WeakPolarHBondContact CB-O 3.42Å; N74-C141 PolarHBondContact N-O 2.91Å; L105-C141 HydrophobicContact CD1-CB 4.07Å; L105-C141 VanDerWaalsContact CD1-SG 3.56Å; V115-C141 HydrophobicContact CB-CB 4.4Å; V115-C141 HydrophobicContact CG1-CB 3.66Å; V115-C141 HydrophobicContact CG2-CB 3.81Å; L118-C141 HydrophobicContact CD2-CB 4.49Å; L118-C141 VanDerWaalsContact CD2-SG 3.58Å
142	A	87.9	Confident	82	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.7	174.3	0	0	0	0	0	110.9	N74 R116 M117 Y119	N74-A142 HydrophobicContact CB-CB 3.85Å; R116-A142 PolarHBondContact N-O 3.24Å; M117-A142 PolarHBondContact N-O 3.29Å; M117-A142 PolarHBondContact O-N 2.99Å; Y119-A142 HydrophobicContact CD2-CB 4.22Å; Y119-A142 HydrophobicContact CE2-CB 4.13Å
143	S	87.1	Confident	81.3	Confident	5 Å²	5	53.4 Å²	53.4	4%	0.035	29%	0.288	C	S	.	.			trans	-77.4	-144.4	161.6	-65.6	0	0	0	0	109.9	L111 Q113 G114 E145	L111-S143 VanDerWaalsContact CA-OG 3.3Å; L111-S143 WeakPolarHBondContact CA-OG 3.42Å; Q113-S143 PolarHBondContact N-OG 3.19Å; G114-S143 WeakPolarHBondContact O-CA 3.11Å; G114-S143 WeakPolarHBondContact O-CB 3.15Å; G114-S143 PolarHBondContact O-OG 2.79Å; S143-E145 PolarHBondContact O-N 3.38Å
144	N	80.4	Confident	79.9	Confident	110 Å²	110	60.4 Å²	60.4	59%	0.588	32%	0.318	S	S	*	.	S	Bend	trans	-84.1	9.9	171.4	-66.7	-33	0	0	0	113.1	Q113	Q113-N144 PolarHBondContact OE1-ND2 2.79Å
145	E	76.6	Confident	78.4	Confident	68 Å²	68	60.6 Å²	60.6	32%	0.318	32%	0.319	S	S	.	.	S	Bend	trans	-78.6	152.9	175.1	-81.3	-171.5	-132.3	0	0	112.6	S143 R148	S143-E145 PolarHBondContact O-N 3.38Å; E145-R148 IonicContact OE2-CZ 2.75Å; E145-R148 IonicContact OE2-NE 3.67Å; E145-R148 IonicContact OE2-NH2 3.48Å; E145-R148 PolarHBondContact OE2-NH2 3.24Å
146	P	74.4	Confident	77	Confident	99 Å²	99	58.1 Å²	58.1	64%	0.643	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-61.7	148.2	173.4	27.5	-35.3	0	0	0	111.8	N74 R148	N74-P146 PolarHBondContact ND2-O 2.72Å; P146-R148 PolarHBondContact O-N 3.24Å
147	F	81.4	Confident	75.4	Confident	45 Å²	45	63.1 Å²	63.1	20%	0.197	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.7	133.1	174.2	176.3	-92.2	0	0	0	110.9	Y119 V121 V140 C149 Y152	Y119-F147 HydrophobicContact CG-CD2 4.15Å; V121-F147 WeakPolarHBondContact O-CZ 3.28Å; V140-F147 HydrophobicContact CB-CE2 3.96Å; V140-F147 HydrophobicContact CG1-CD2 4.41Å; V140-F147 HydrophobicContact CG1-CE2 4.05Å; V140-F147 HydrophobicContact CG2-CE2 3.98Å; F147-C149 VanDerWaalsContact CE1-CA 3.46Å; F147-C149 HydrophobicContact CE1-CB 3.83Å; F147-Y152 HydrophobicContact CE2-CE2 4.25Å; F147-Y152 HydrophobicContact CZ-CE2 4.04Å
148	R	80.3	Confident	73.4	Confident	132 Å²	132	62.8 Å²	62.8	50%	0.498	34%	0.337	S	S	.	.			trans	-105.7	116.2	175.9	-59.4	178.4	-171.6	-113.7	6.8	107.8	N74 E145 P146 V150 Y152	N74-R148 PolarHBondContact OD1-N 3.31Å; E145-R148 IonicContact OE2-CZ 2.75Å; E145-R148 IonicContact OE2-NE 3.67Å; E145-R148 IonicContact OE2-NH2 3.48Å; E145-R148 PolarHBondContact OE2-NH2 3.24Å; P146-R148 PolarHBondContact O-N 3.24Å; R148-V150 HydrophobicContact CB-CG2 4.27Å; R148-V150 PolarHBondContact O-N 2.73Å; R148-Y152 PolarHBondContact O-OH 3.06Å
149	C	74.3	Confident	71.1	Confident	107 Å²	107	68.6 Å²	68.6	72%	0.723	37%	0.367	S	S	*	.			trans	-75.1	114.5	176.4	-168.6	0	0	0	0	109.8	F147	F147-C149 VanDerWaalsContact CE1-CA 3.46Å; F147-C149 HydrophobicContact CE1-CB 3.83Å
150	V	76.5	Confident	69.1	Low	45 Å²	45	75.2 Å²	75.2	27%	0.273	39%	0.391	S	S	.	.			trans	-143.8	157.3	179.8	-154.7	0	0	0	0	109	K77 R148 Y152	K77-V150 HydrophobicContact CB-CG1 3.71Å; K77-V150 HydrophobicContact CD-CG1 4.18Å; R148-V150 HydrophobicContact CB-CG2 4.27Å; R148-V150 PolarHBondContact O-N 2.73Å; V150-Y152 HydrophobicContact CB-CE1 4.32Å; V150-Y152 HydrophobicContact CB-CE2 4.21Å; V150-Y152 WeakPolarHBondContact O-CD2 3.32Å; V150-Y152 WeakPolarHBondContact O-CE2 3.42Å; V150-Y152 PolarHBondContact O-N 2.8Å
151	D	72.9	Confident	66.5	Low	87 Å²	87	80.2 Å²	80.2	47%	0.465	43%	0.427	S	S	.	.			trans	-73.8	60.3	-177.8	-72.8	-60.1	0	0	0	114.1	T153 K154	D151-T153 PolarHBondContact O-N 2.9Å; D151-K154 HydrophobicContact CB-CB 4.13Å; D151-K154 HydrophobicContact CB-CD 3.66Å; D151-K154 HydrophobicContact CB-CG 3.85Å; D151-K154 VanDerWaalsContact CG-CD 3.47Å; D151-K154 PolarHBondContact O-N 2.96Å; D151-K154 WeakPolarHBondContact OD1-CE 3.43Å; D151-K154 IonicContact OD1-NZ 3.6Å; D151-K154 PolarHBondContact OD1-NZ 3.41Å; D151-K154 IonicContact OD2-NZ 3.6Å; D151-K154 PolarHBondContact OD2-NZ 3.41Å
152	Y	74.5	Confident	63.8	Low	5 Å²	5	86.8 Å²	86.8	2%	0.02	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.1	-175.3	-61.2	-72	0	0	0	114.6	Y72 R73 G75 D76 V121 V140 F147 R148 V150	Y72-Y152 HydrophobicContact CD1-CD1 4.47Å; Y72-Y152 WeakPolarHBondContact CE1-O 3.5Å; Y72-Y152 HydrophobicContact CG-CD1 4.46Å; R73-Y152 WeakPolarHBondContact O-CE1 3.48Å; G75-Y152 PolarHBondContact N-OH 2.81Å; D76-Y152 WeakPolarHBondContact O-CD1 3.29Å; D76-Y152 WeakPolarHBondContact O-CE1 3.42Å; V121-Y152 HydrophobicContact CG1-CD2 4.19Å; V140-Y152 HydrophobicContact CG1-CE2 4.41Å; V140-Y152 HydrophobicContact CG2-CD2 3.88Å; V140-Y152 HydrophobicContact CG2-CE2 3.87Å; V140-Y152 HydrophobicContact CG2-CG 4.37Å; F147-Y152 HydrophobicContact CE2-CE2 4.25Å; F147-Y152 HydrophobicContact CZ-CE2 4.04Å; R148-Y152 PolarHBondContact O-OH 3.06Å; V150-Y152 HydrophobicContact CB-CE1 4.32Å; V150-Y152 HydrophobicContact CB-CE2 4.21Å; V150-Y152 WeakPolarHBondContact O-CD2 3.32Å; V150-Y152 WeakPolarHBondContact O-CE2 3.42Å; V150-Y152 PolarHBondContact O-N 2.8Å
153	T	68.6	Low	61	Low	72 Å²	72	90.3 Å²	90.3	44%	0.442	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-14.3	-175.9	50.9	0	0	0	0	115.3	V121 D151 N155 I156	V121-T153 HydrophobicContact CG1-CG2 4.28Å; D151-T153 PolarHBondContact O-N 2.9Å; T153-N155 PolarHBondContact O-N 3.19Å; T153-N155 VanDerWaalsContact O-N 3.1Å; T153-I156 PolarHBondContact O-N 3.34Å
154	K	56.7	Low	58.3	Low	147 Å²	147	97.5 Å²	97.5	64%	0.639	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.1	-171.4	-80.8	-174.1	-174	156.3	0	114.9	D151	D151-K154 HydrophobicContact CB-CB 4.13Å; D151-K154 HydrophobicContact CB-CD 3.66Å; D151-K154 HydrophobicContact CB-CG 3.85Å; D151-K154 VanDerWaalsContact CG-CD 3.47Å; D151-K154 PolarHBondContact O-N 2.96Å; D151-K154 WeakPolarHBondContact OD1-CE 3.43Å; D151-K154 IonicContact OD1-NZ 3.6Å; D151-K154 PolarHBondContact OD1-NZ 3.41Å; D151-K154 IonicContact OD2-NZ 3.6Å; D151-K154 PolarHBondContact OD2-NZ 3.41Å
155	N	49.8	Very low	56.1	Low	102 Å²	102	102.4 Å²	102.4	55%	0.545	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	15	-177.3	-67.9	-19	0	0	0	114	K77 T153	K77-N155 PolarHBondContact O-ND2 2.85Å; K77-N155 VanDerWaalsContact O-ND2 3.16Å; T153-N155 PolarHBondContact O-N 3.19Å; T153-N155 VanDerWaalsContact O-N 3.1Å
156	I	51	Low	53.9	Low	48 Å²	48	105.5 Å²	105.5	25%	0.246	58%	0.579	C	S	.	*	S	Bend	trans	-131.6	128.6	-173.9	-62.6	163.9	0	0	0	110.1	Y72 K80 T153 P158	Y72-I156 HydrophobicContact CE1-CD1 3.94Å; Y72-I156 WeakPolarHBondContact OH-CD1 3.32Å; K80-I156 WeakPolarHBondContact O-CD1 3.36Å; T153-I156 PolarHBondContact O-N 3.34Å; I156-P158 WeakPolarHBondContact O-CD 3.46Å
157	N	41.6	Very low	51.8	Low	127 Å²	127	104.2 Å²	104.2	68%	0.679	58%	0.584	S	S	*	*			trans	-76.1	118	178.4	-160.8	34.7	0	0	0	110.4	N159	N157-N159 VanDerWaalsContact C-N 3.25Å; N157-N159 PolarHBondContact O-N 3.02Å
158	P	45.6	Very low	49.4	Very low	93 Å²	93	108.8 Å²	108.8	60%	0.604	62%	0.616	S	S	*	*			trans	-83.4	58.5	-166.8	34.8	-37.5	0	0	0	112.9	I156 W160	I156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-W160 PolarHBondContact O-N 3.48Å
159	N	39.8	Very low	46.9	Very low	140 Å²	140	106.4 Å²	106.4	75%	0.749	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	28.9	-163	-141.7	52.6	0	0	0	115.4	N157	N157-N159 VanDerWaalsContact C-N 3.25Å; N157-N159 PolarHBondContact O-N 3.02Å
160	W	50.3	Low	44.9	Very low	147 Å²	147	112.4 Å²	112.4	56%	0.557	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.9	18.3	-172.1	57.5	-83.6	0	0	0	115.5	G136 P158 V162	G136-W160 WeakPolarHBondContact O-CH2 3.2Å; P158-W160 PolarHBondContact O-N 3.48Å; W160-V162 WeakPolarHBondContact O-CG2 3.35Å; W160-V162 PolarHBondContact O-N 3.4Å
161	S	36.2	Very low	42.6	Very low	106 Å²	106	115.3 Å²	115.3	74%	0.741	65%	0.649	S	S	*	*			trans	-67.2	94.9	168.4	37.3	0	0	0	0	110.7	G163	S161-G163 PolarHBondContact O-N 3.39Å
162	V	33.3	Very low	40.5	Very low	137 Å²	137	119 Å²	119	83%	0.83	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.8	-175.7	-151.8	0	0	0	0	110.1	W160 I164	W160-V162 WeakPolarHBondContact O-CG2 3.35Å; W160-V162 PolarHBondContact O-N 3.4Å; V162-I164 PolarHBondContact O-N 2.99Å
163	G	29.3	Very low	38.3	Very low	74 Å²	74	125 Å²	125	76%	0.763	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-73.3	124.1	-166.1	0	0	0	0	0	114.9	S161	S161-G163 PolarHBondContact O-N 3.39Å
164	I	31.6	Very low	36.7	Very low	157 Å²	157	126.8 Å²	126.8	81%	0.805	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-97.8	126.3	163.6	-63.5	175.7	0	0	0	108.5	V162	V162-I164 PolarHBondContact O-N 2.99Å
165	K	34.5	Very low	35.7	Very low	212 Å²	212	127.6 Å²	127.6	92%	0.922	73%	0.731	S	S	*	*			trans	-90.6	109.3	176.9	-72.4	-178.5	179.7	176.2	0	111.1
166	T	29.5	Very low	34.7	Very low	134 Å²	134	128 Å²	128	82%	0.822	73%	0.733	S	S	*	*			trans	-130.6	109	158.4	51.7	0	0	0	0	108
167	G	30.6	Very low	33.9	Very low	72 Å²	72	135.4 Å²	135.4	74%	0.742	77%	0.766	S	S	*	*			trans	-92.7	156.8	-175.6	0	0	0	0	0	113.3
168	T	29.9	Very low	33.5	Very low	141 Å²	141	137.1 Å²	137.1	87%	0.865	78%	0.775	S	S	*	*			trans	-163	128	152.2	-81.3	0	0	0	0	111
169	S	28.9	Very low	32.9	Very low	81 Å²	81	137.4 Å²	137.4	57%	0.566	77%	0.766	S	S	*	*			trans	46.3	119.5	151.8	-170	0	0	0	0	122.7
170	R	31.8	Very low	32.4	Very low	234 Å²	234	135.1 Å²	135.1	88%	0.883	76%	0.761	S	S	*	*				41.1	131.5	129.4	-46	166.6	-173.8	149.9	-2.2	117.8
171	S	28.4	Very low	31.5	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	77%	0.766	S	S	*	*				175.1	175.8	65.7	-160.2	0	0	0	0	113.3
172	L	28.2	Very low	31.3	Very low	166 Å²	166	136.1 Å²	136.1	87%	0.869	76%	0.764	S	S	*	*			trans	73.8	132.8	163.7	-57.4	-173.2	0	0	0	120.9
173	T	29.9	Very low	31.2	Very low	129 Å²	129	135.7 Å²	135.7	79%	0.791	75%	0.753	S	S	*	*			trans	-102	177	-178.2	26.7	0	0	0	0	112.5
174	S	33.3	Very low	31.4	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	75%	0.747	S	S	*	*			trans	70	66.9	152.2	-58.4	0	0	0	0	119
175	L	35.4	Very low	31.4	Very low	164 Å²	164	140.6 Å²	140.6	86%	0.859	75%	0.745	S	S	*	*			trans	-161.8	94.5	144	-117.1	168.5	0	0	0	111
176	N	29.9	Very low	31.3	Very low	110 Å²	110	135.2 Å²	135.2	59%	0.588	74%	0.735	S	S	*	*			trans	-171	21.3	160.5	-101.6	-48.8	0	0	0	115.7	L178 K179	N176-L178 PolarHBondContact O-N 2.89Å; N176-K179 HydrophobicContact CB-CB 4.36Å; N176-K179 WeakPolarHBondContact O-CB 3.49Å; N176-K179 PolarHBondContact O-N 2.81Å; N176-K179 WeakPolarHBondContact OD1-CD 3.33Å
177	Q	33.5	Very low	31.9	Very low	204 Å²	204	137.6 Å²	137.6	95%	0.953	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	39.8	171.6	-161.9	163.5	-9.7	0	0	112.6
178	L	34.1	Very low	32.1	Very low	163 Å²	163	141.5 Å²	141.5	85%	0.853	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.6	19.3	169	-152.7	78.7	0	0	0	111.3	N176	N176-L178 PolarHBondContact O-N 2.89Å
179	K	32.3	Very low	32.3	Very low	99 Å²	99	142 Å²	142	43%	0.43	72%	0.723	S	S	.	*			trans	-112.2	-5.4	-175.7	-162.2	162.4	174.6	175	0	113.9	N176 Q183	N176-K179 HydrophobicContact CB-CB 4.36Å; N176-K179 WeakPolarHBondContact O-CB 3.49Å; N176-K179 PolarHBondContact O-N 2.81Å; N176-K179 WeakPolarHBondContact OD1-CD 3.33Å; K179-Q183 HydrophobicContact CG-CG 4.12Å; K179-Q183 WeakPolarHBondContact O-CG 3.36Å
180	S	30.6	Very low	33.1	Very low	92 Å²	92	143 Å²	143	64%	0.643	72%	0.721	S	S	*	*	S	Bend	trans	-73.4	-29.1	-178.8	-166.3	0	0	0	0	114.4	R184	S180-R184 PolarHBondContact O-NH2 3.15Å; S180-R184 VanDerWaalsContact O-NH2 3.13Å
181	E	30.1	Very low	34	Very low	138 Å²	138	140.2 Å²	140.2	65%	0.645	71%	0.711	S	S	*	*	S	Bend	trans	-80.3	-51.1	176.7	-114.7	64.9	-105.8	0	0	111.4	Q183 R184	E181-Q183 PolarHBondContact O-N 2.91Å; E181-Q183 VanDerWaalsContact O-N 3.16Å; E181-R184 PolarHBondContact O-N 3.28Å; E181-R184 IonicContact OE1-CZ 3.21Å; E181-R184 IonicContact OE1-NH1 3.93Å; E181-R184 IonicContact OE1-NH2 2.68Å; E181-R184 PolarHBondContact OE1-NH2 2.97Å
182	L	33.3	Very low	35.4	Very low	137 Å²	137	138.2 Å²	138.2	72%	0.717	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-0.2	-170.7	-112.6	143	0	0	0	115.4
183	Q	30.6	Very low	37.2	Very low	127 Å²	127	132 Å²	132	59%	0.593	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	4.5	171.9	-71.4	-161.5	-95.1	0	0	114.2	K179 E181	K179-Q183 HydrophobicContact CG-CG 4.12Å; K179-Q183 WeakPolarHBondContact O-CG 3.36Å; E181-Q183 PolarHBondContact O-N 2.91Å; E181-Q183 VanDerWaalsContact O-N 3.16Å
184	R	32.5	Very low	39.1	Very low	170 Å²	170	129.4 Å²	129.4	64%	0.642	64%	0.642	S	S	*	*	S	Bend	trans	-90.2	-23.3	180	-130.1	170.1	-63.3	151.3	14.3	114.7	S180 E181	S180-R184 PolarHBondContact O-NH2 3.15Å; S180-R184 VanDerWaalsContact O-NH2 3.13Å; E181-R184 PolarHBondContact O-N 3.28Å; E181-R184 IonicContact OE1-CZ 3.21Å; E181-R184 IonicContact OE1-NH1 3.93Å; E181-R184 IonicContact OE1-NH2 2.68Å; E181-R184 PolarHBondContact OE1-NH2 2.97Å
185	E	31.2	Very low	41.2	Very low	164 Å²	164	124.2 Å²	124.2	77%	0.766	61%	0.606	S	S	*	*	S	Bend	trans	-97.1	-22.3	-178.2	-64.3	-178.7	144.9	0	0	114	K187 E188	E185-K187 PolarHBondContact O-N 3.18Å; E185-K187 VanDerWaalsContact O-N 3.09Å; E185-E188 PolarHBondContact O-N 2.87Å
186	S	34	Very low	43.3	Very low	100 Å²	100	117.8 Å²	117.8	70%	0.699	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	12	179.8	42.8	0	0	0	0	114.6
187	K	41.2	Very low	45.7	Very low	183 Å²	183	112.6 Å²	112.6	80%	0.796	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	24.1	176	-151.1	-179.9	-179.1	-177.3	0	113	E185	E185-K187 PolarHBondContact O-N 3.18Å; E185-K187 VanDerWaalsContact O-N 3.09Å
188	E	34.6	Very low	47.9	Very low	154 Å²	154	104.7 Å²	104.7	72%	0.72	51%	0.509	S	S	*	.			trans	-65.6	137.5	173.5	-166.9	174.2	-115.5	0	0	111.6	E185 I190	E185-E188 PolarHBondContact O-N 2.87Å; E188-I190 PolarHBondContact O-N 2.85Å
189	F	34.7	Very low	50	Low	151 Å²	151	98.8 Å²	98.8	66%	0.662	48%	0.476	S	S	*	.			trans	-62	132.3	-161.6	-77.7	-108.5	0	0	0	113.6	R191	F189-R191 VanDerWaalsContact C-N 3.25Å; F189-R191 HydrophobicContact CB-CG 4.27Å; F189-R191 PolarHBondContact O-N 2.79Å
190	I	46.4	Very low	51.7	Low	104 Å²	104	95.9 Å²	95.9	53%	0.533	47%	0.468	S	S	.	.			trans	-78.3	80.7	162.1	-50.4	178	0	0	0	108.3	E188 K215	E188-I190 PolarHBondContact O-N 2.85Å; I190-K215 HydrophobicContact CG2-CD 4.04Å; I190-K215 HydrophobicContact CG2-CG 3.87Å
191	R	50.3	Low	53.4	Low	174 Å²	174	92.8 Å²	92.8	66%	0.657	45%	0.45	S	S	*	.			trans	-102.2	144	167.8	-85.2	176.7	159.3	145.3	-4.6	110.3	F189	F189-R191 VanDerWaalsContact C-N 3.25Å; F189-R191 HydrophobicContact CB-CG 4.27Å; F189-R191 PolarHBondContact O-N 2.79Å
192	P	57.7	Low	54.4	Low	63 Å²	63	91.4 Å²	91.4	41%	0.409	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	144.6	164.2	33.1	-34.1	0	0	0	109.5	L211 N213	P192-L211 HydrophobicContact CB-CD1 3.89Å; P192-L211 HydrophobicContact CB-CD2 4.36Å; P192-L211 HydrophobicContact CB-CG 4.01Å; P192-L211 HydrophobicContact CG-CD1 4.36Å; P192-N213 HydrophobicContact CB-CB 4.03Å
193	K	65.6	Low	55.1	Low	36 Å²	36	93.8 Å²	93.8	16%	0.157	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.2	-177.7	-166.1	-173.1	-178.3	-169.9	0	110	V195 L212 F256 G257 D259 D260	K193-V195 HydrophobicContact CD-CG2 3.95Å; K193-V195 HydrophobicContact CG-CG2 4.05Å; K193-L212 PolarHBondContact N-O 2.98Å; K193-L212 PolarHBondContact O-N 3Å; K193-F256 HydrophobicContact CB-CD1 3.94Å; K193-F256 HydrophobicContact CB-CE1 3.85Å; K193-F256 HydrophobicContact CD-CD1 4.3Å; K193-G257 PolarHBondContact NZ-O 2.76Å; K193-D259 PolarHBondContact NZ-O 3.43Å; K193-D260 WeakPolarHBondContact CE-OD1 3.35Å; K193-D260 IonicContact NZ-OD1 3.76Å; K193-D260 PolarHBondContact NZ-OD1 3.35Å
194	L	70.3	Confident	56.1	Low	75 Å²	75	93.9 Å²	93.9	39%	0.393	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.8	176.3	-175.2	61.5	0	0	0	109.8	R209 L211	L194-R209 HydrophobicContact CD1-CB 4.06Å; L194-L211 HydrophobicContact CB-CD1 3.93Å; L194-L211 HydrophobicContact CD1-CB 4.11Å; L194-L211 HydrophobicContact CD1-CD1 4.34Å
195	V	76.3	Confident	57.5	Low	0 Å²	0	88.9 Å²	88.9	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.5	-173.2	166.6	0	0	0	0	110.9	K193 V197 R209 I210 F255 F262	K193-V195 HydrophobicContact CD-CG2 3.95Å; K193-V195 HydrophobicContact CG-CG2 4.05Å; V195-V197 HydrophobicContact CG1-CG2 4.37Å; V195-R209 CarbonylContact O-C 3.57Å; V195-R209 WeakPolarHBondContact O-CA 3.42Å; V195-I210 PolarHBondContact N-O 2.96Å; V195-I210 PolarHBondContact O-N 3.31Å; V195-F255 HydrophobicContact CB-CE1 3.75Å; V195-F255 HydrophobicContact CB-CZ 4.03Å; V195-F255 HydrophobicContact CG1-CE1 3.7Å; V195-F255 HydrophobicContact CG1-CZ 3.54Å; V195-F255 HydrophobicContact CG2-CD1 4.37Å; V195-F255 HydrophobicContact CG2-CE1 3.65Å; V195-F255 HydrophobicContact CG2-CZ 4.38Å; V195-F262 HydrophobicContact CB-CE2 4.41Å; V195-F262 HydrophobicContact CG1-CD2 3.23Å; V195-F262 HydrophobicContact CG1-CE2 3.32Å; V195-F262 HydrophobicContact CG1-CG 4.48Å; V195-F262 HydrophobicContact CG2-CE2 4.2Å
196	T	79.4	Confident	58.9	Low	30 Å²	30	87.3 Å²	87.3	18%	0.184	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.2	-179.4	-49.9	0	0	0	0	110.4	A207 R209 D260 V261 F262	T196-A207 HydrophobicContact CG2-CB 4.26Å; T196-R209 HydrophobicContact CG2-CG 4.21Å; T196-D260 PolarHBondContact N-O 2.79Å; T196-V261 CarbonylContact O-C 3.59Å; T196-V261 VanDerWaalsContact O-CA 3.32Å; T196-V261 WeakPolarHBondContact O-CA 3.49Å; T196-F262 PolarHBondContact O-N 2.86Å
197	V	81.3	Confident	60.6	Low	0 Å²	0	85.3 Å²	85.3	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.1	176.9	-173.7	0	0	0	0	109.8	V195 A207 V208 I210 I227 V231 L241 F262 A264	V195-V197 HydrophobicContact CG1-CG2 4.37Å; V197-A207 WeakPolarHBondContact O-CA 3.45Å; V197-V208 PolarHBondContact N-O 3.49Å; V197-V208 PolarHBondContact O-N 3.13Å; V197-I210 HydrophobicContact CB-CD1 4.39Å; V197-I210 HydrophobicContact CG2-CD1 4.09Å; V197-I227 HydrophobicContact CB-CG2 4.45Å; V197-I227 HydrophobicContact CG1-CG2 3.86Å; V197-I227 HydrophobicContact CG2-CD1 4.27Å; V197-I227 HydrophobicContact CG2-CG1 4.47Å; V197-I227 HydrophobicContact CG2-CG2 4.36Å; V197-V231 HydrophobicContact CB-CG2 4.19Å; V197-V231 HydrophobicContact CG1-CG2 3.97Å; V197-L241 HydrophobicContact CG1-CD2 3.95Å; V197-F262 CarbonylContact C-O 3.57Å; V197-F262 WeakPolarHBondContact CA-O 3.27Å; V197-A264 HydrophobicContact CG1-CB 3.53Å
198	I	79.9	Confident	61.7	Low	38 Å²	38	77.8 Å²	77.8	20%	0.195	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.1	-179.2	-54.3	178	0	0	0	109.2	S200 A207 V261 F262 I263 A264	I198-S200 PolarHBondContact O-N 3.4Å; I198-A207 HydrophobicContact CG1-CB 4.15Å; I198-V261 HydrophobicContact CD1-CG1 3.82Å; I198-V261 HydrophobicContact CG1-CG1 4.29Å; I198-F262 PolarHBondContact N-O 2.8Å; I198-I263 WeakPolarHBondContact O-CA 3.39Å; I198-A264 PolarHBondContact O-N 3.01Å
199	R	77.4	Confident	63.4	Low	40 Å²	40	78.9 Å²	78.9	15%	0.151	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	123.7	172.3	167.2	160.8	169.1	174	-14.1	111	K206 V231 K232 L233 D234	R199-K206 VanDerWaalsContact CB-O 3.27Å; R199-K206 WeakPolarHBondContact CB-O 3.33Å; R199-K206 PolarHBondContact N-O 3.2Å; R199-V231 HydrophobicContact CB-CG1 3.86Å; R199-K232 PolarHBondContact NH1-O 3.23Å; R199-L233 HydrophobicContact CB-CD2 4.07Å; R199-L233 HydrophobicContact CG-CD2 3.54Å; R199-D234 IonicContact CZ-OD1 3.02Å; R199-D234 IonicContact CZ-OD2 3.25Å; R199-D234 IonicContact NH1-OD1 2.69Å; R199-D234 PolarHBondContact NH1-OD1 3.42Å; R199-D234 IonicContact NH1-OD2 3.86Å; R199-D234 IonicContact NH2-OD1 3.93Å; R199-D234 PolarHBondContact NH2-OD1 2.77Å; R199-D234 IonicContact NH2-OD2 2.65Å; R199-D234 PolarHBondContact NH2-OD2 2.95Å
200	S	67.5	Low	65.2	Low	38 Å²	38	72.8 Å²	72.8	27%	0.266	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-74	142	166	-167.8	0	0	0	0	111.1	I198 A264	I198-S200 PolarHBondContact O-N 3.4Å; S200-A264 WeakPolarHBondContact CB-O 3.38Å; S200-A264 PolarHBondContact N-O 2.91Å; S200-A264 VanDerWaalsContact N-O 3.17Å
201	G	65.9	Low	66.1	Low	26 Å²	26	71.9 Å²	71.9	27%	0.268	36%	0.36	S	S	.	.	S	Bend	trans	132	-170.3	179.3	0	0	0	0	0	114.5	R205	G201-R205 WeakPolarHBondContact O-CG 3.36Å; G201-R205 PolarHBondContact O-NE 2.83Å
202	V	51.8	Low	67	Low	109 Å²	109	63.9 Å²	63.9	66%	0.661	33%	0.33	S	S	*	.	S	Bend	trans	-63.9	157.2	178.5	-71.1	0	0	0	0	113
203	R	48.3	Very low	67.2	Low	188 Å²	188	63.1 Å²	63.1	71%	0.709	32%	0.323	S	S	*	.	S	Bend	trans	-75.5	149.8	-179.9	-66.1	-178.9	176.1	-155.6	-5.5	111.2	R205	R203-R205 HydrophobicContact CG-CG 4.5Å
204	P	51.1	Low	66.8	Low	128 Å²	128	66.5 Å²	66.5	83%	0.831	34%	0.337	S	S	*	.	S	Bend	cis	-76.9	128.8	-0.7	30.9	-34.1	0	0	0	112.5
205	R	63.3	Low	66	Low	65 Å²	65	69.5 Å²	69.5	25%	0.245	35%	0.347	C	S	.	.			trans	-85.5	115	-179.8	-62.5	-176.9	-167.9	153.4	2.6	110	G201 R203 D276 F277	G201-R205 WeakPolarHBondContact O-CG 3.36Å; G201-R205 PolarHBondContact O-NE 2.83Å; R203-R205 HydrophobicContact CG-CG 4.5Å; R205-D276 IonicContact CZ-OD2 3.35Å; R205-D276 IonicContact NH2-OD1 2.6Å; R205-D276 PolarHBondContact NH2-OD1 3.39Å; R205-D276 IonicContact NH2-OD2 2.72Å; R205-D276 PolarHBondContact NH2-OD2 3.18Å; R205-F277 VanDerWaalsContact NH2-CE2 3.32Å
206	K	60.2	Low	64.9	Low	132 Å²	132	73.6 Å²	73.6	57%	0.574	37%	0.372	S	S	*	.			trans	-72.4	133.1	174.5	-165.5	174.7	-173.8	179.9	0	110.9	R199 V208	R199-K206 VanDerWaalsContact CB-O 3.27Å; R199-K206 WeakPolarHBondContact CB-O 3.33Å; R199-K206 PolarHBondContact N-O 3.2Å; K206-V208 HydrophobicContact CD-CG2 4.25Å; K206-V208 HydrophobicContact CG-CG2 4.14Å
207	A	68.7	Low	63.9	Low	57 Å²	57	72.4 Å²	72.4	47%	0.471	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.2	165.8	0	0	0	0	0	109.1	T196 V197 I198	T196-A207 HydrophobicContact CG2-CB 4.26Å; V197-A207 WeakPolarHBondContact O-CA 3.45Å; I198-A207 HydrophobicContact CG1-CB 4.15Å
208	V	65.1	Low	62.7	Low	25 Å²	25	79.4 Å²	79.4	15%	0.152	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.9	-176.6	-172.7	0	0	0	0	109.1	V197 K206 I210 A230 V231	V197-V208 PolarHBondContact N-O 3.49Å; V197-V208 PolarHBondContact O-N 3.13Å; K206-V208 HydrophobicContact CD-CG2 4.25Å; K206-V208 HydrophobicContact CG-CG2 4.14Å; V208-I210 HydrophobicContact CB-CD1 4.5Å; V208-I210 HydrophobicContact CB-CG1 4.46Å; V208-I210 HydrophobicContact CG1-CD1 4.17Å; V208-I210 HydrophobicContact CG1-CG1 3.85Å; V208-A230 HydrophobicContact CG1-CB 4.19Å; V208-V231 HydrophobicContact CB-CG2 4.15Å; V208-V231 HydrophobicContact CG2-CG2 4.06Å
209	R	69.4	Low	62.4	Low	177 Å²	177	80 Å²	80	67%	0.668	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.7	177.6	-57.1	-179.7	77.2	-168.6	3.6	108.6	L194 V195 T196	L194-R209 HydrophobicContact CD1-CB 4.06Å; V195-R209 CarbonylContact O-C 3.57Å; V195-R209 WeakPolarHBondContact O-CA 3.42Å; T196-R209 HydrophobicContact CG2-CG 4.21Å
210	I	72.4	Confident	62.3	Low	24 Å²	24	80 Å²	80	12%	0.123	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.6	-168.1	-57.9	175.8	0	0	0	108.1	V195 V197 V208 L212 I227 A230 V231	V195-I210 PolarHBondContact N-O 2.96Å; V195-I210 PolarHBondContact O-N 3.31Å; V197-I210 HydrophobicContact CB-CD1 4.39Å; V197-I210 HydrophobicContact CG2-CD1 4.09Å; V208-I210 HydrophobicContact CB-CD1 4.5Å; V208-I210 HydrophobicContact CB-CG1 4.46Å; V208-I210 HydrophobicContact CG1-CD1 4.17Å; V208-I210 HydrophobicContact CG1-CG1 3.85Å; I210-L212 HydrophobicContact CG2-CD1 4.04Å; I210-L212 HydrophobicContact CG2-CG 4.09Å; I210-L212 PolarHBondContact O-N 2.89Å; I210-I227 HydrophobicContact CD1-CB 4.32Å; I210-I227 HydrophobicContact CD1-CG1 3.75Å; I210-I227 HydrophobicContact CD1-CG2 4.42Å; I210-A230 HydrophobicContact CD1-CB 3.97Å; I210-V231 HydrophobicContact CD1-CG2 4.47Å
211	L	66.9	Low	62.6	Low	84 Å²	84	85.5 Å²	85.5	44%	0.44	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	98.6	-178.5	-174.3	67.6	0	0	0	110.1	P192 L194	P192-L211 HydrophobicContact CB-CD1 3.89Å; P192-L211 HydrophobicContact CB-CD2 4.36Å; P192-L211 HydrophobicContact CB-CG 4.01Å; P192-L211 HydrophobicContact CG-CD1 4.36Å; L194-L211 HydrophobicContact CB-CD1 3.93Å; L194-L211 HydrophobicContact CD1-CB 4.11Å; L194-L211 HydrophobicContact CD1-CD1 4.34Å
212	L	68.1	Low	63.2	Low	7 Å²	7	88.5 Å²	88.5	4%	0.037	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.4	-177.4	-85.7	154.2	0	0	0	111.2	K193 I210 A217 V223 I227 F255 F256	K193-L212 PolarHBondContact N-O 2.98Å; K193-L212 PolarHBondContact O-N 3Å; I210-L212 HydrophobicContact CG2-CD1 4.04Å; I210-L212 HydrophobicContact CG2-CG 4.09Å; I210-L212 PolarHBondContact O-N 2.89Å; L212-A217 HydrophobicContact CD2-CB 4.02Å; L212-V223 HydrophobicContact CD1-CG1 3.71Å; L212-V223 HydrophobicContact CD2-CB 4.35Å; L212-V223 HydrophobicContact CD2-CG1 3.86Å; L212-V223 HydrophobicContact CD2-CG2 3.67Å; L212-V223 HydrophobicContact CG-CG1 4.47Å; L212-I227 HydrophobicContact CD1-CD1 4.41Å; L212-F255 HydrophobicContact CB-CE1 4.2Å; L212-F255 HydrophobicContact CD1-CD1 4.04Å; L212-F255 HydrophobicContact CD1-CE1 3.18Å; L212-F255 HydrophobicContact CD1-CE2 4.15Å; L212-F255 HydrophobicContact CD1-CZ 3.25Å; L212-F255 HydrophobicContact CG-CE1 4.28Å; L212-F256 HydrophobicContact CB-CZ 4.23Å; L212-F256 VanDerWaalsContact O-CE1 3.32Å; L212-F256 WeakPolarHBondContact O-CE1 3.26Å
213	N	62.4	Low	64.3	Low	47 Å²	47	83.4 Å²	83.4	25%	0.251	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124	179.2	-174.5	-18.5	0	0	0	110	P192 K215 T216 A217	P192-N213 HydrophobicContact CB-CB 4.03Å; N213-K215 PolarHBondContact O-N 3.47Å; N213-K215 WeakPolarHBondContact OD1-CB 3.49Å; N213-K215 PolarHBondContact OD1-N 2.93Å; N213-T216 PolarHBondContact O-N 3.19Å; N213-T216 PolarHBondContact O-OG1 3.35Å; N213-A217 WeakPolarHBondContact O-CB 3.42Å; N213-A217 PolarHBondContact O-N 3.2Å
214	K	56.4	Low	65.7	Low	106 Å²	106	75.5 Å²	75.5	46%	0.461	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-13.1	177.4	-162.8	172	-177.5	175	0	113.6	F256	K214-F256 HydrophobicContact CB-CE1 4.31Å; K214-F256 HydrophobicContact CB-CE2 4.46Å; K214-F256 HydrophobicContact CB-CZ 4.09Å
215	K	54	Low	66.9	Low	139 Å²	139	72.4 Å²	72.4	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-23.5	170.9	-76.1	172.6	170.1	172.4	0	115.4	I190 N213 H218	I190-K215 HydrophobicContact CG2-CD 4.04Å; I190-K215 HydrophobicContact CG2-CG 3.87Å; N213-K215 PolarHBondContact O-N 3.47Å; N213-K215 WeakPolarHBondContact OD1-CB 3.49Å; N213-K215 PolarHBondContact OD1-N 2.93Å; K215-H218 PolarHBondContact O-CE1 3.05Å; K215-H218 PolarHBondContact O-ND1 3.07Å
216	T	54.1	Low	67.4	Low	85 Å²	85	72.3 Å²	72.3	52%	0.521	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-27.6	-179.5	59.4	0	0	0	0	112.8	N213 H218	N213-T216 PolarHBondContact O-N 3.19Å; N213-T216 PolarHBondContact O-OG1 3.35Å; T216-H218 PolarHBondContact O-CD2 3.38Å; T216-H218 PolarHBondContact O-N 3.3Å
217	A	58.2	Low	68.2	Low	5 Å²	5	66 Å²	66	4%	0.041	33%	0.332	C	S	.	.			trans	-70.1	73.4	174.2	0	0	0	0	0	110.5	L212 N213 V223 L252 F256	L212-A217 HydrophobicContact CD2-CB 4.02Å; N213-A217 WeakPolarHBondContact O-CB 3.42Å; N213-A217 PolarHBondContact O-N 3.2Å; A217-V223 HydrophobicContact CB-CG2 3.75Å; A217-L252 HydrophobicContact CB-CD1 4.02Å; A217-L252 VanDerWaalsContact O-CD1 3.25Å; A217-L252 WeakPolarHBondContact O-CD1 3.27Å; A217-F256 HydrophobicContact CB-CE2 4.34Å; A217-F256 HydrophobicContact CB-CZ 4.36Å
218	H	55.8	Low	68.6	Low	147 Å²	147	64.4 Å²	64.4	68%	0.681	32%	0.316	S	S	*	.			trans	-76.5	-27.9	-170.3	-65.8	-43.5	0	0	0	114	K215 T216	K215-H218 PolarHBondContact O-CE1 3.05Å; K215-H218 PolarHBondContact O-ND1 3.07Å; T216-H218 PolarHBondContact O-CD2 3.38Å; T216-H218 PolarHBondContact O-N 3.3Å
219	S	73.2	Confident	69	Low	52 Å²	52	68.2 Å²	68.2	36%	0.364	34%	0.336	S	S	.	.			trans	-147.4	156.4	173.1	77.1	0	0	0	0	110.4	E221 Q222 V223 L252	S219-E221 PolarHBondContact O-N 2.97Å; S219-Q222 PolarHBondContact O-N 3.44Å; S219-Q222 PolarHBondContact OG-N 2.9Å; S219-V223 WeakPolarHBondContact O-CG2 3.39Å; S219-V223 PolarHBondContact O-N 2.95Å; S219-L252 VanDerWaalsContact C-CD1 3.46Å
220	F	74.7	Confident	68.9	Low	40 Å²	40	61.6 Å²	61.6	18%	0.175	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-30.1	175.5	-178.6	-122.9	0	0	0	112.2	V223 L224 L241 I249 L252	F220-V223 PolarHBondContact O-N 2.98Å; F220-L224 HydrophobicContact CD1-CD1 4.02Å; F220-L224 HydrophobicContact CE1-CD1 3.7Å; F220-L224 HydrophobicContact CE1-CG 4.4Å; F220-L224 HydrophobicContact CE2-CG 4.42Å; F220-L224 HydrophobicContact CZ-CD1 3.99Å; F220-L224 HydrophobicContact CZ-CD2 4.4Å; F220-L224 HydrophobicContact CZ-CG 4.24Å; F220-L224 WeakPolarHBondContact O-CG 3.46Å; F220-L224 PolarHBondContact O-N 3.46Å; F220-L241 HydrophobicContact CE2-CD1 4.24Å; F220-I249 HydrophobicContact CD2-CG2 4.47Å; F220-I249 HydrophobicContact CE2-CB 4.37Å; F220-I249 HydrophobicContact CE2-CG2 3.54Å; F220-I249 HydrophobicContact CZ-CB 4.24Å; F220-I249 HydrophobicContact CZ-CG2 3.83Å; F220-I249 VanDerWaalsContact CZ-O 3.3Å; F220-I249 WeakPolarHBondContact CZ-O 3.49Å; F220-L252 HydrophobicContact CB-CB 4.35Å
221	E	75.5	Confident	68.8	Low	152 Å²	152	60.6 Å²	60.6	71%	0.71	31%	0.314	S	S	*	.	H	α-helix	trans	-73	-36.7	178.5	-169.7	167.1	-149.1	0	0	112.8	S219 L224 T225	S219-E221 PolarHBondContact O-N 2.97Å; E221-L224 PolarHBondContact O-N 3.14Å; E221-T225 PolarHBondContact O-N 2.76Å; E221-T225 VanDerWaalsContact O-N 3.08Å; E221-T225 PolarHBondContact O-OG1 3.47Å
222	Q	77.3	Confident	68.8	Low	90 Å²	90	63.7 Å²	63.7	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-47.4	170	-175.1	62.8	54.5	0	0	110.1	S219 L224 T225 D226	S219-Q222 PolarHBondContact O-N 3.44Å; S219-Q222 PolarHBondContact OG-N 2.9Å; Q222-L224 VanDerWaalsContact C-N 3.28Å; Q222-L224 PolarHBondContact O-N 2.87Å; Q222-T225 CarbonylContact O-C 3.53Å; Q222-T225 WeakPolarHBondContact O-CA 3.45Å; Q222-T225 VanDerWaalsContact O-CB 3.3Å; Q222-T225 WeakPolarHBondContact O-CB 3.48Å; Q222-T225 PolarHBondContact O-N 3.47Å; Q222-D226 PolarHBondContact NE2-OD1 2.98Å; Q222-D226 PolarHBondContact O-N 3.08Å
223	V	75.1	Confident	68.6	Low	2 Å²	2	64.1 Å²	64.1	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-37.3	178.3	173.4	0	0	0	0	112	L212 A217 S219 F220 T225 I227 L252 F255	L212-V223 HydrophobicContact CD1-CG1 3.71Å; L212-V223 HydrophobicContact CD2-CB 4.35Å; L212-V223 HydrophobicContact CD2-CG1 3.86Å; L212-V223 HydrophobicContact CD2-CG2 3.67Å; L212-V223 HydrophobicContact CG-CG1 4.47Å; A217-V223 HydrophobicContact CB-CG2 3.75Å; S219-V223 WeakPolarHBondContact O-CG2 3.39Å; S219-V223 PolarHBondContact O-N 2.95Å; F220-V223 PolarHBondContact O-N 2.98Å; V223-T225 VanDerWaalsContact C-N 3.33Å; V223-I227 HydrophobicContact CG1-CD1 3.62Å; V223-I227 HydrophobicContact CG1-CG1 4.37Å; V223-I227 VanDerWaalsContact O-CB 3.28Å; V223-I227 WeakPolarHBondContact O-CB 3.38Å; V223-I227 WeakPolarHBondContact O-CD1 3.35Å; V223-I227 WeakPolarHBondContact O-CG1 3.26Å; V223-I227 PolarHBondContact O-N 3.1Å; V223-L252 HydrophobicContact CG2-CD1 4.01Å; V223-F255 HydrophobicContact CG1-CD2 4.5Å; V223-F255 HydrophobicContact CG1-CE2 4.29Å
224	L	77.8	Confident	68.4	Low	21 Å²	21	68.3 Å²	68.3	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-32	172.5	-76.8	168.7	0	0	0	113.1	F220 E221 Q222 T228 V238 L241	F220-L224 HydrophobicContact CD1-CD1 4.02Å; F220-L224 HydrophobicContact CE1-CD1 3.7Å; F220-L224 HydrophobicContact CE1-CG 4.4Å; F220-L224 HydrophobicContact CE2-CG 4.42Å; F220-L224 HydrophobicContact CZ-CD1 3.99Å; F220-L224 HydrophobicContact CZ-CD2 4.4Å; F220-L224 HydrophobicContact CZ-CG 4.24Å; F220-L224 WeakPolarHBondContact O-CG 3.46Å; F220-L224 PolarHBondContact O-N 3.46Å; E221-L224 PolarHBondContact O-N 3.14Å; Q222-L224 VanDerWaalsContact C-N 3.28Å; Q222-L224 PolarHBondContact O-N 2.87Å; L224-T228 WeakPolarHBondContact O-CB 3.34Å; L224-T228 PolarHBondContact O-N 2.87Å; L224-T228 PolarHBondContact O-OG1 2.97Å; L224-V238 HydrophobicContact CD2-CG1 4.01Å; L224-L241 HydrophobicContact CD2-CD1 3.56Å; L224-L241 HydrophobicContact CD2-CG 3.83Å; L224-L241 HydrophobicContact CG-CD1 4.49Å
225	T	76.7	Confident	68.6	Low	64 Å²	64	64.9 Å²	64.9	39%	0.393	34%	0.337	S	S	.	.	H	α-helix	trans	-71	-49.1	173.5	-53.8	0	0	0	0	110.9	E221 Q222 V223 I227 T228 D229	E221-T225 PolarHBondContact O-N 2.76Å; E221-T225 VanDerWaalsContact O-N 3.08Å; E221-T225 PolarHBondContact O-OG1 3.47Å; Q222-T225 CarbonylContact O-C 3.53Å; Q222-T225 WeakPolarHBondContact O-CA 3.45Å; Q222-T225 VanDerWaalsContact O-CB 3.3Å; Q222-T225 WeakPolarHBondContact O-CB 3.48Å; Q222-T225 PolarHBondContact O-N 3.47Å; V223-T225 VanDerWaalsContact C-N 3.33Å; T225-I227 VanDerWaalsContact C-N 3.26Å; T225-I227 PolarHBondContact O-N 3.06Å; T225-T228 WeakPolarHBondContact O-CA 3.23Å; T225-T228 VanDerWaalsContact O-CB 3.23Å; T225-T228 WeakPolarHBondContact O-CB 3.17Å; T225-T228 PolarHBondContact O-N 3.47Å; T225-D229 PolarHBondContact O-N 3.27Å
226	D	73.4	Confident	69.2	Low	63 Å²	63	59.9 Å²	59.9	34%	0.337	33%	0.326	S	S	.	.	H	α-helix	trans	-57.5	-41.5	177.3	-53.5	-23.7	0	0	0	111	Q222 A230	Q222-D226 PolarHBondContact NE2-OD1 2.98Å; Q222-D226 PolarHBondContact O-N 3.08Å; D226-A230 WeakPolarHBondContact O-CB 2.97Å; D226-A230 PolarHBondContact O-N 2.87Å
227	I	76.3	Confident	70.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-33.2	174.7	-68.7	168	0	0	0	111.8	V197 I210 L212 V223 T225 V231 V238 L241 F255	V197-I227 HydrophobicContact CB-CG2 4.45Å; V197-I227 HydrophobicContact CG1-CG2 3.86Å; V197-I227 HydrophobicContact CG2-CD1 4.27Å; V197-I227 HydrophobicContact CG2-CG1 4.47Å; V197-I227 HydrophobicContact CG2-CG2 4.36Å; I210-I227 HydrophobicContact CD1-CB 4.32Å; I210-I227 HydrophobicContact CD1-CG1 3.75Å; I210-I227 HydrophobicContact CD1-CG2 4.42Å; L212-I227 HydrophobicContact CD1-CD1 4.41Å; V223-I227 HydrophobicContact CG1-CD1 3.62Å; V223-I227 HydrophobicContact CG1-CG1 4.37Å; V223-I227 VanDerWaalsContact O-CB 3.28Å; V223-I227 WeakPolarHBondContact O-CB 3.38Å; V223-I227 WeakPolarHBondContact O-CD1 3.35Å; V223-I227 WeakPolarHBondContact O-CG1 3.26Å; V223-I227 PolarHBondContact O-N 3.1Å; T225-I227 VanDerWaalsContact C-N 3.26Å; T225-I227 PolarHBondContact O-N 3.06Å; I227-V231 HydrophobicContact CG2-CG2 3.88Å; I227-V231 VanDerWaalsContact O-CB 3.22Å; I227-V231 WeakPolarHBondContact O-CB 3.37Å; I227-V231 VanDerWaalsContact O-CG2 3.23Å; I227-V231 WeakPolarHBondContact O-CG2 3.44Å; I227-V231 PolarHBondContact O-N 2.93Å; I227-V238 HydrophobicContact CG2-CG1 4.35Å; I227-V238 HydrophobicContact CG2-CG2 4.36Å; I227-L241 HydrophobicContact CD1-CD1 3.79Å; I227-L241 HydrophobicContact CG2-CD2 4.49Å; I227-F255 HydrophobicContact CD1-CE2 3.84Å; I227-F255 HydrophobicContact CD1-CZ 4.11Å
228	T	77.9	Confident	71.1	Confident	22 Å²	22	58.1 Å²	58.1	14%	0.135	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-52.4	174.9	-68.2	0	0	0	0	111	L224 T225 A230 V231 K232 A237 V238	L224-T228 WeakPolarHBondContact O-CB 3.34Å; L224-T228 PolarHBondContact O-N 2.87Å; L224-T228 PolarHBondContact O-OG1 2.97Å; T225-T228 WeakPolarHBondContact O-CA 3.23Å; T225-T228 VanDerWaalsContact O-CB 3.23Å; T225-T228 WeakPolarHBondContact O-CB 3.17Å; T225-T228 PolarHBondContact O-N 3.47Å; T228-A230 VanDerWaalsContact C-N 3.28Å; T228-A230 PolarHBondContact O-N 2.95Å; T228-V231 PolarHBondContact O-N 2.95Å; T228-K232 PolarHBondContact O-N 2.88Å; T228-A237 HydrophobicContact CG2-CB 4.21Å; T228-V238 WeakPolarHBondContact OG1-CB 3.42Å; T228-V238 PolarHBondContact OG1-N 2.87Å
229	D	72.4	Confident	72	Confident	106 Å²	106	59.4 Å²	59.4	57%	0.567	32%	0.318	S	S	*	.	H	α-helix	trans	-68.3	-30.1	-175.7	-67.5	-20.4	0	0	0	112	T225 K232	T225-D229 PolarHBondContact O-N 3.27Å; D229-K232 WeakPolarHBondContact O-CE 3.3Å; D229-K232 VanDerWaalsContact O-CG 3.29Å; D229-K232 WeakPolarHBondContact O-CG 3.48Å
230	A	68.3	Low	72.4	Confident	37 Å²	37	61.7 Å²	61.7	31%	0.306	32%	0.318	S	S	.	.	H	α-helix	trans	-78.1	-42.2	176.1	0	0	0	0	0	113.7	V208 I210 D226 T228	V208-A230 HydrophobicContact CG1-CB 4.19Å; I210-A230 HydrophobicContact CD1-CB 3.97Å; D226-A230 WeakPolarHBondContact O-CB 2.97Å; D226-A230 PolarHBondContact O-N 2.87Å; T228-A230 VanDerWaalsContact C-N 3.28Å; T228-A230 PolarHBondContact O-N 2.95Å
231	V	69.6	Low	72.8	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-86	-31.9	-174.1	177.8	0	0	0	0	112.8	V197 R199 V208 I210 I227 T228 L233 A264	V197-V231 HydrophobicContact CB-CG2 4.19Å; V197-V231 HydrophobicContact CG1-CG2 3.97Å; R199-V231 HydrophobicContact CB-CG1 3.86Å; V208-V231 HydrophobicContact CB-CG2 4.15Å; V208-V231 HydrophobicContact CG2-CG2 4.06Å; I210-V231 HydrophobicContact CD1-CG2 4.47Å; I227-V231 HydrophobicContact CG2-CG2 3.88Å; I227-V231 VanDerWaalsContact O-CB 3.22Å; I227-V231 WeakPolarHBondContact O-CB 3.37Å; I227-V231 VanDerWaalsContact O-CG2 3.23Å; I227-V231 WeakPolarHBondContact O-CG2 3.44Å; I227-V231 PolarHBondContact O-N 2.93Å; T228-V231 PolarHBondContact O-N 2.95Å; V231-L233 HydrophobicContact CG1-CD2 3.83Å; V231-A264 HydrophobicContact CG1-CB 4.47Å
232	K	66.8	Low	73.2	Confident	150 Å²	150	53.8 Å²	53.8	65%	0.652	28%	0.281	S	S	*	.			trans	48.9	75.5	179.6	-56.4	-171.2	-179	-176.3	0	112.7	R199 T228 D229	R199-K232 PolarHBondContact NH1-O 3.23Å; T228-K232 PolarHBondContact O-N 2.88Å; D229-K232 WeakPolarHBondContact O-CE 3.3Å; D229-K232 VanDerWaalsContact O-CG 3.29Å; D229-K232 WeakPolarHBondContact O-CG 3.48Å
233	L	64.1	Low	73.5	Confident	15 Å²	15	49.6 Å²	49.6	8%	0.079	26%	0.262	C	S	.	.			trans	-74	137.4	169.1	-52	-178.5	0	0	0	109.8	R199 V231 S235 G236 V238	R199-L233 HydrophobicContact CB-CD2 4.07Å; R199-L233 HydrophobicContact CG-CD2 3.54Å; V231-L233 HydrophobicContact CG1-CD2 3.83Å; L233-S235 PolarHBondContact O-N 3.46Å; L233-G236 WeakPolarHBondContact CB-O 3.44Å; L233-G236 PolarHBondContact O-N 3.03Å; L233-V238 HydrophobicContact CD1-CG2 3.69Å; L233-V238 HydrophobicContact CG-CG2 3.92Å
234	D	58.6	Low	73.5	Confident	135 Å²	135	51 Å²	51	72%	0.722	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	175.2	-53.3	-12.2	0	0	0	111.7	R199 G236	R199-D234 IonicContact CZ-OD1 3.02Å; R199-D234 IonicContact CZ-OD2 3.25Å; R199-D234 IonicContact NH1-OD1 2.69Å; R199-D234 PolarHBondContact NH1-OD1 3.42Å; R199-D234 IonicContact NH1-OD2 3.86Å; R199-D234 IonicContact NH2-OD1 3.93Å; R199-D234 PolarHBondContact NH2-OD1 2.77Å; R199-D234 IonicContact NH2-OD2 2.65Å; R199-D234 PolarHBondContact NH2-OD2 2.95Å; D234-G236 PolarHBondContact O-N 3.4Å
235	S	59.9	Low	73.3	Confident	34 Å²	34	54.3 Å²	54.3	24%	0.238	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	3	174.6	55.8	0	0	0	0	114.3	L233 P267 E268	L233-S235 PolarHBondContact O-N 3.46Å; S235-P267 WeakPolarHBondContact O-CD 3.45Å; S235-E268 WeakPolarHBondContact CA-OE1 3.41Å; S235-E268 WeakPolarHBondContact CB-OE1 3.49Å
236	G	68.4	Low	72.8	Confident	35 Å²	35	52.6 Å²	52.6	36%	0.361	28%	0.279	S	S	.	.			trans	85.3	-142.6	179.6	0	0	0	0	0	113.8	L233 D234 V238	L233-G236 WeakPolarHBondContact CB-O 3.44Å; L233-G236 PolarHBondContact O-N 3.03Å; D234-G236 PolarHBondContact O-N 3.4Å; G236-V238 PolarHBondContact O-N 3.28Å
237	A	74.5	Confident	72.9	Confident	47 Å²	47	54.5 Å²	54.5	39%	0.388	28%	0.284	S	S	.	.	S	Bend	trans	-63	133.4	-165.5	0	0	0	0	0	114.5	T228 R239 P267	T228-A237 HydrophobicContact CG2-CB 4.21Å; A237-R239 PolarHBondContact O-N 3.24Å; A237-P267 VanDerWaalsContact O-CD 3.3Å; A237-P267 WeakPolarHBondContact O-CD 3.42Å; A237-P267 WeakPolarHBondContact O-CG 3.44Å
238	V	76.9	Confident	73.1	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.03	30%	0.301	C	S	.	.			trans	-67.2	111.7	172.7	-178.8	0	0	0	0	108.1	L224 I227 T228 L233 G236 L241 A264	L224-V238 HydrophobicContact CD2-CG1 4.01Å; I227-V238 HydrophobicContact CG2-CG1 4.35Å; I227-V238 HydrophobicContact CG2-CG2 4.36Å; T228-V238 WeakPolarHBondContact OG1-CB 3.42Å; T228-V238 PolarHBondContact OG1-N 2.87Å; L233-V238 HydrophobicContact CD1-CG2 3.69Å; L233-V238 HydrophobicContact CG-CG2 3.92Å; G236-V238 PolarHBondContact O-N 3.28Å; V238-L241 HydrophobicContact CG1-CD2 4.46Å; V238-L241 HydrophobicContact CG1-CG 4.48Å; V238-A264 HydrophobicContact CG1-CB 3.72Å; V238-A264 HydrophobicContact CG2-CB 4.06Å
239	R	74.8	Confident	73.4	Confident	175 Å²	175	57.2 Å²	57.2	66%	0.66	30%	0.295	S	S	*	.			trans	-103	-19.8	-178.4	-72.4	-170.6	174.6	-142.6	-5	113.6	A237 C265 P267	A237-R239 PolarHBondContact O-N 3.24Å; R239-C265 PolarHBondContact N-O 3.05Å; R239-P267 HydrophobicContact CG-CG 4.4Å
240	R	81.5	Confident	73.5	Confident	99 Å²	99	56.7 Å²	56.7	37%	0.374	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.1	-176.4	-65.8	176.9	-69.7	167.5	-5.7	110.7	Y242 C265	R240-Y242 HydrophobicContact CB-CE2 3.73Å; R240-Y242 WeakPolarHBondContact CD-OH 3.48Å; R240-Y242 PolarHBondContact NH1-OH 2.69Å; R240-C265 HydrophobicContact CB-CB 4.42Å; R240-C265 PolarHBondContact N-O 2.86Å; R240-C265 PolarHBondContact O-N 3.2Å
241	L	83.3	Confident	73.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.4	174.5	-74.7	161.8	0	0	0	109.1	V197 F220 L224 I227 V238 Q248 I249 F255 F262 I263 A264	V197-L241 HydrophobicContact CG1-CD2 3.95Å; F220-L241 HydrophobicContact CE2-CD1 4.24Å; L224-L241 HydrophobicContact CD2-CD1 3.56Å; L224-L241 HydrophobicContact CD2-CG 3.83Å; L224-L241 HydrophobicContact CG-CD1 4.49Å; I227-L241 HydrophobicContact CD1-CD1 3.79Å; I227-L241 HydrophobicContact CG2-CD2 4.49Å; V238-L241 HydrophobicContact CG1-CD2 4.46Å; V238-L241 HydrophobicContact CG1-CG 4.48Å; L241-Q248 WeakPolarHBondContact O-CG 3.24Å; L241-I249 HydrophobicContact CB-CB 4.11Å; L241-I249 HydrophobicContact CB-CG1 4.28Å; L241-I249 PolarHBondContact O-N 3Å; L241-F255 HydrophobicContact CD1-CD2 4.32Å; L241-F255 HydrophobicContact CD1-CE2 3.95Å; L241-F262 HydrophobicContact CD2-CB 4.37Å; L241-I263 WeakPolarHBondContact CA-O 3.49Å; L241-A264 HydrophobicContact CD2-CB 4.08Å
242	Y	82.6	Confident	73.9	Confident	27 Å²	27	59 Å²	59	11%	0.106	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.3	178.4	-63	-91.4	0	0	0	110	R240 K247 Q248 F262 I263 C265	R240-Y242 HydrophobicContact CB-CE2 3.73Å; R240-Y242 WeakPolarHBondContact CD-OH 3.48Å; R240-Y242 PolarHBondContact NH1-OH 2.69Å; Y242-K247 CarbonylContact C-O 3.54Å; Y242-K247 VanDerWaalsContact CA-O 3.29Å; Y242-K247 WeakPolarHBondContact CA-O 3.4Å; Y242-Q248 HydrophobicContact CD1-CB 3.75Å; Y242-Q248 HydrophobicContact CD1-CG 4Å; Y242-Q248 HydrophobicContact CE1-CB 3.49Å; Y242-Q248 VanDerWaalsContact CE1-CB 3.49Å; Y242-Q248 HydrophobicContact CE1-CG 3.55Å; Y242-Q248 PolarHBondContact OH-OE1 3.44Å; Y242-F262 CarbonylContact O-C 3.42Å; Y242-F262 WeakPolarHBondContact O-CA 3.35Å; Y242-F262 WeakPolarHBondContact O-CB 3.4Å; Y242-I263 PolarHBondContact N-O 2.76Å; Y242-I263 VanDerWaalsContact N-O 3.09Å; Y242-I263 PolarHBondContact O-N 2.94Å; Y242-C265 HydrophobicContact CE2-CB 4.26Å
243	T	85.4	Confident	74.1	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	172	166	77.1	0	0	0	0	110.5	E245 G246 K247 I249 D259 F262	T243-E245 WeakPolarHBondContact CB-OE2 3.33Å; T243-E245 PolarHBondContact O-N 2.89Å; T243-E245 WeakPolarHBondContact OG1-CB 3.47Å; T243-E245 PolarHBondContact OG1-N 3.19Å; T243-E245 PolarHBondContact OG1-OE2 2.98Å; T243-G246 PolarHBondContact O-N 3.4Å; T243-K247 HydrophobicContact CG2-CB 4.19Å; T243-K247 PolarHBondContact N-O 2.72Å; T243-I249 HydrophobicContact CG2-CD1 3.81Å; T243-D259 HydrophobicContact CG2-CB 4.24Å; T243-F262 HydrophobicContact CG2-CD1 4.05Å; T243-F262 HydrophobicContact CG2-CE1 3.89Å
244	L	75.4	Confident	74.5	Confident	30 Å²	30	61.7 Å²	61.7	16%	0.157	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21	173.2	-65.2	175.2	0	0	0	112.8	G246 V261 I263 L289 C293	L244-G246 VanDerWaalsContact C-N 3.28Å; L244-V261 HydrophobicContact CD1-CB 3.86Å; L244-V261 HydrophobicContact CD1-CG1 3.94Å; L244-V261 HydrophobicContact CD1-CG2 4.49Å; L244-V261 HydrophobicContact CD2-CG1 3.95Å; L244-V261 HydrophobicContact CG-CB 4.11Å; L244-V261 HydrophobicContact CG-CG1 4Å; L244-I263 HydrophobicContact CD2-CD1 4.37Å; L244-I263 HydrophobicContact CD2-CG1 4.48Å; L244-L289 HydrophobicContact CD2-CD2 4.03Å; L244-C293 HydrophobicContact CD1-CB 3.95Å; L244-C293 HydrophobicContact CD2-CB 4.34Å
245	E	72.8	Confident	75.1	Confident	92 Å²	92	55.5 Å²	55.5	43%	0.43	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.9	175.9	-57	65	-144.9	0	0	112.7	T243 K247 M290	T243-E245 WeakPolarHBondContact CB-OE2 3.33Å; T243-E245 PolarHBondContact O-N 2.89Å; T243-E245 WeakPolarHBondContact OG1-CB 3.47Å; T243-E245 PolarHBondContact OG1-N 3.19Å; T243-E245 PolarHBondContact OG1-OE2 2.98Å; E245-K247 VanDerWaalsContact C-N 3.28Å; E245-K247 PolarHBondContact O-N 3.42Å; E245-M290 HydrophobicContact CB-CE 4.18Å; E245-M290 HydrophobicContact CG-CE 4.2Å
246	G	65.3	Low	75.6	Confident	27 Å²	27	56 Å²	56	28%	0.278	28%	0.284	S	S	.	.			trans	78.1	6.3	-178.9	0	0	0	0	0	114.4	T243 L244 Q248	T243-G246 PolarHBondContact O-N 3.4Å; L244-G246 VanDerWaalsContact C-N 3.28Å; G246-Q248 PolarHBondContact O-N 3.32Å
247	K	77	Confident	75.8	Confident	103 Å²	103	56 Å²	56	45%	0.448	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-67.8	121.1	172.8	-178.6	-168.6	169.4	-162.8	0	108.9	Y242 T243 E245 D254	Y242-K247 CarbonylContact C-O 3.54Å; Y242-K247 VanDerWaalsContact CA-O 3.29Å; Y242-K247 WeakPolarHBondContact CA-O 3.4Å; T243-K247 HydrophobicContact CG2-CB 4.19Å; T243-K247 PolarHBondContact N-O 2.72Å; E245-K247 VanDerWaalsContact C-N 3.28Å; E245-K247 PolarHBondContact O-N 3.42Å; K247-D254 IonicContact NZ-OD1 2.82Å; K247-D254 PolarHBondContact NZ-OD1 3.31Å
248	Q	80.5	Confident	75.7	Confident	78 Å²	78	61.1 Å²	61.1	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134.3	174.7	-162.4	178.6	-50.1	0	0	110.9	L241 Y242 G246 T250	L241-Q248 WeakPolarHBondContact O-CG 3.24Å; Y242-Q248 HydrophobicContact CD1-CB 3.75Å; Y242-Q248 HydrophobicContact CD1-CG 4Å; Y242-Q248 HydrophobicContact CE1-CB 3.49Å; Y242-Q248 VanDerWaalsContact CE1-CB 3.49Å; Y242-Q248 HydrophobicContact CE1-CG 3.55Å; Y242-Q248 PolarHBondContact OH-OE1 3.44Å; G246-Q248 PolarHBondContact O-N 3.32Å; Q248-T250 HydrophobicContact CG-CG2 4.45Å
249	I	83.8	Confident	75.7	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.1	169.9	-52.3	-54.3	0	0	0	108.3	F220 L241 T243 D254 F255 F262	F220-I249 HydrophobicContact CD2-CG2 4.47Å; F220-I249 HydrophobicContact CE2-CB 4.37Å; F220-I249 HydrophobicContact CE2-CG2 3.54Å; F220-I249 HydrophobicContact CZ-CB 4.24Å; F220-I249 HydrophobicContact CZ-CG2 3.83Å; F220-I249 VanDerWaalsContact CZ-O 3.3Å; F220-I249 WeakPolarHBondContact CZ-O 3.49Å; L241-I249 HydrophobicContact CB-CB 4.11Å; L241-I249 HydrophobicContact CB-CG1 4.28Å; L241-I249 PolarHBondContact O-N 3Å; T243-I249 HydrophobicContact CG2-CD1 3.81Å; I249-D254 HydrophobicContact CD1-CB 3.94Å; I249-D254 HydrophobicContact CG2-CB 3.99Å; I249-F255 HydrophobicContact CG2-CB 4.44Å; I249-F255 HydrophobicContact CG2-CD2 4.42Å; I249-F262 HydrophobicContact CD1-CD1 4Å; I249-F262 HydrophobicContact CD1-CE1 3.6Å; I249-F262 HydrophobicContact CG1-CD1 3.63Å; I249-F262 HydrophobicContact CG1-CE1 3.68Å
250	T	73.7	Confident	75.9	Confident	94 Å²	94	58.2 Å²	58.2	58%	0.577	30%	0.302	S	S	*	.			trans	-122.5	-17.3	-176.2	58.4	0	0	0	0	113.1	Q248	Q248-T250 HydrophobicContact CG-CG2 4.45Å
251	C	72.3	Confident	75.9	Confident	48 Å²	48	55.6 Å²	55.6	32%	0.324	30%	0.297	S	S	.	.	S	Bend	trans	-140.6	163.6	173.7	85.1	0	0	0	0	112.6	K253 D254	C251-K253 PolarHBondContact O-N 3.41Å; C251-K253 PolarHBondContact SG-N 2.86Å; C251-D254 PolarHBondContact O-N 3.22Å; C251-D254 PolarHBondContact SG-OD2 3.39Å
252	L	73.5	Confident	76	Confident	41 Å²	41	55.6 Å²	55.6	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-23.4	-177.9	-163.9	125.6	0	0	0	113.3	A217 S219 F220 V223 F256	A217-L252 HydrophobicContact CB-CD1 4.02Å; A217-L252 VanDerWaalsContact O-CD1 3.25Å; A217-L252 WeakPolarHBondContact O-CD1 3.27Å; S219-L252 VanDerWaalsContact C-CD1 3.46Å; F220-L252 HydrophobicContact CB-CB 4.35Å; V223-L252 HydrophobicContact CG2-CD1 4.01Å; L252-F256 HydrophobicContact CD2-CD2 4.09Å; L252-F256 HydrophobicContact CD2-CE2 3.82Å; L252-F256 HydrophobicContact CG-CE2 4.24Å; L252-F256 WeakPolarHBondContact O-CD2 3.44Å
253	K	72.3	Confident	76	Confident	179 Å²	179	55.6 Å²	55.6	78%	0.778	30%	0.298	S	S	*	.	H	α-helix	trans	-69.7	-41.1	177	-63.2	-176.1	177.5	-177.4	0	112.2	C251 F255 F256	C251-K253 PolarHBondContact O-N 3.41Å; C251-K253 PolarHBondContact SG-N 2.86Å; K253-F255 PolarHBondContact O-N 3.05Å; K253-F256 PolarHBondContact O-N 3.27Å
254	D	72.9	Confident	75.9	Confident	43 Å²	43	55.5 Å²	55.5	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-29.3	178.6	-68.1	-76.8	0	0	0	112.2	K247 I249 C251 F256 G257	K247-D254 IonicContact NZ-OD1 2.82Å; K247-D254 PolarHBondContact NZ-OD1 3.31Å; I249-D254 HydrophobicContact CD1-CB 3.94Å; I249-D254 HydrophobicContact CG2-CB 3.99Å; C251-D254 PolarHBondContact O-N 3.22Å; C251-D254 PolarHBondContact SG-OD2 3.39Å; D254-F256 VanDerWaalsContact C-N 3.3Å; D254-F256 PolarHBondContact O-N 2.94Å; D254-G257 PolarHBondContact O-N 2.83Å
255	F	70.1	Confident	76.1	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-27.7	176.3	-156.4	-75	0	0	0	112.9	V195 L212 V223 I227 L241 I249 K253	V195-F255 HydrophobicContact CB-CE1 3.75Å; V195-F255 HydrophobicContact CB-CZ 4.03Å; V195-F255 HydrophobicContact CG1-CE1 3.7Å; V195-F255 HydrophobicContact CG1-CZ 3.54Å; V195-F255 HydrophobicContact CG2-CD1 4.37Å; V195-F255 HydrophobicContact CG2-CE1 3.65Å; V195-F255 HydrophobicContact CG2-CZ 4.38Å; L212-F255 HydrophobicContact CB-CE1 4.2Å; L212-F255 HydrophobicContact CD1-CD1 4.04Å; L212-F255 HydrophobicContact CD1-CE1 3.18Å; L212-F255 HydrophobicContact CD1-CE2 4.15Å; L212-F255 HydrophobicContact CD1-CZ 3.25Å; L212-F255 HydrophobicContact CG-CE1 4.28Å; V223-F255 HydrophobicContact CG1-CD2 4.5Å; V223-F255 HydrophobicContact CG1-CE2 4.29Å; I227-F255 HydrophobicContact CD1-CE2 3.84Å; I227-F255 HydrophobicContact CD1-CZ 4.11Å; L241-F255 HydrophobicContact CD1-CD2 4.32Å; L241-F255 HydrophobicContact CD1-CE2 3.95Å; I249-F255 HydrophobicContact CG2-CB 4.44Å; I249-F255 HydrophobicContact CG2-CD2 4.42Å; K253-F255 PolarHBondContact O-N 3.05Å
256	F	70.7	Confident	76.4	Confident	46 Å²	46	51.3 Å²	51.3	20%	0.202	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	18.5	178.4	-71.8	-75.7	0	0	0	113.3	K193 L212 K214 A217 L252 K253 D254	K193-F256 HydrophobicContact CB-CD1 3.94Å; K193-F256 HydrophobicContact CB-CE1 3.85Å; K193-F256 HydrophobicContact CD-CD1 4.3Å; L212-F256 HydrophobicContact CB-CZ 4.23Å; L212-F256 VanDerWaalsContact O-CE1 3.32Å; L212-F256 WeakPolarHBondContact O-CE1 3.26Å; K214-F256 HydrophobicContact CB-CE1 4.31Å; K214-F256 HydrophobicContact CB-CE2 4.46Å; K214-F256 HydrophobicContact CB-CZ 4.09Å; A217-F256 HydrophobicContact CB-CE2 4.34Å; A217-F256 HydrophobicContact CB-CZ 4.36Å; L252-F256 HydrophobicContact CD2-CD2 4.09Å; L252-F256 HydrophobicContact CD2-CE2 3.82Å; L252-F256 HydrophobicContact CG-CE2 4.24Å; L252-F256 WeakPolarHBondContact O-CD2 3.44Å; K253-F256 PolarHBondContact O-N 3.27Å; D254-F256 VanDerWaalsContact C-N 3.3Å; D254-F256 PolarHBondContact O-N 2.94Å
257	G	72.6	Confident	76.2	Confident	33 Å²	33	52.8 Å²	52.8	34%	0.34	29%	0.287	S	S	.	.	S	Bend	trans	-75.6	-160.3	168.5	0	0	0	0	0	113	K193 D254 D259	K193-G257 PolarHBondContact NZ-O 2.76Å; D254-G257 PolarHBondContact O-N 2.83Å; G257-D259 VanDerWaalsContact C-N 3.26Å; G257-D259 PolarHBondContact O-N 3.47Å
258	D	71.9	Confident	75.3	Confident	155 Å²	155	54.8 Å²	54.8	83%	0.829	30%	0.298	S	S	*	.	S	Bend	trans	-77	-4.6	-176.9	-56.3	-56.2	0	0	0	114.7
259	D	78.4	Confident	73.6	Confident	43 Å²	43	60.1 Å²	60.1	23%	0.23	32%	0.32	C	S	.	.			trans	-91.9	128.2	-175.7	-65	-49.2	0	0	0	112.5	K193 T243 G257 F262	K193-D259 PolarHBondContact NZ-O 3.43Å; T243-D259 HydrophobicContact CG2-CB 4.24Å; G257-D259 VanDerWaalsContact C-N 3.26Å; G257-D259 PolarHBondContact O-N 3.47Å; D259-F262 HydrophobicContact CB-CE1 4.26Å; D259-F262 HydrophobicContact CB-CZ 3.92Å; D259-F262 WeakPolarHBondContact O-CE2 3.2Å; D259-F262 WeakPolarHBondContact O-CZ 3.4Å
260	D	78.4	Confident	72	Confident	77 Å²	77	68.2 Å²	68.2	41%	0.412	35%	0.351	S	S	.	.			trans	-108.9	-2.2	-175.4	-60	-27.8	0	0	0	113.6	K193 T196	K193-D260 WeakPolarHBondContact CE-OD1 3.35Å; K193-D260 IonicContact NZ-OD1 3.76Å; K193-D260 PolarHBondContact NZ-OD1 3.35Å; T196-D260 PolarHBondContact N-O 2.79Å
261	V	80.8	Confident	70.2	Confident	44 Å²	44	75.2 Å²	75.2	27%	0.267	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	126.8	-174.3	-171.6	0	0	0	0	110.7	T196 I198 L244	T196-V261 CarbonylContact O-C 3.59Å; T196-V261 VanDerWaalsContact O-CA 3.32Å; T196-V261 WeakPolarHBondContact O-CA 3.49Å; I198-V261 HydrophobicContact CD1-CG1 3.82Å; I198-V261 HydrophobicContact CG1-CG1 4.29Å; L244-V261 HydrophobicContact CD1-CB 3.86Å; L244-V261 HydrophobicContact CD1-CG1 3.94Å; L244-V261 HydrophobicContact CD1-CG2 4.49Å; L244-V261 HydrophobicContact CD2-CG1 3.95Å; L244-V261 HydrophobicContact CG-CB 4.11Å; L244-V261 HydrophobicContact CG-CG1 4Å
262	F	85.3	Confident	68.6	Low	0 Å²	0	82.8 Å²	82.8	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.3	-175.9	-54	-100.1	0	0	0	111.1	V195 T196 V197 I198 L241 Y242 T243 I249 D259	V195-F262 HydrophobicContact CB-CE2 4.41Å; V195-F262 HydrophobicContact CG1-CD2 3.23Å; V195-F262 HydrophobicContact CG1-CE2 3.32Å; V195-F262 HydrophobicContact CG1-CG 4.48Å; V195-F262 HydrophobicContact CG2-CE2 4.2Å; T196-F262 PolarHBondContact O-N 2.86Å; V197-F262 CarbonylContact C-O 3.57Å; V197-F262 WeakPolarHBondContact CA-O 3.27Å; I198-F262 PolarHBondContact N-O 2.8Å; L241-F262 HydrophobicContact CD2-CB 4.37Å; Y242-F262 CarbonylContact O-C 3.42Å; Y242-F262 WeakPolarHBondContact O-CA 3.35Å; Y242-F262 WeakPolarHBondContact O-CB 3.4Å; T243-F262 HydrophobicContact CG2-CD1 4.05Å; T243-F262 HydrophobicContact CG2-CE1 3.89Å; I249-F262 HydrophobicContact CD1-CD1 4Å; I249-F262 HydrophobicContact CD1-CE1 3.6Å; I249-F262 HydrophobicContact CG1-CD1 3.63Å; I249-F262 HydrophobicContact CG1-CE1 3.68Å; D259-F262 HydrophobicContact CB-CE1 4.26Å; D259-F262 HydrophobicContact CB-CZ 3.92Å; D259-F262 WeakPolarHBondContact O-CE2 3.2Å; D259-F262 WeakPolarHBondContact O-CZ 3.4Å
263	I	82.4	Confident	66.8	Low	26 Å²	26	84 Å²	84	13%	0.133	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.4	179	-58.2	174.7	0	0	0	108.8	I198 L241 Y242 L244 L289	I198-I263 WeakPolarHBondContact O-CA 3.39Å; L241-I263 WeakPolarHBondContact CA-O 3.49Å; Y242-I263 PolarHBondContact N-O 2.76Å; Y242-I263 VanDerWaalsContact N-O 3.09Å; Y242-I263 PolarHBondContact O-N 2.94Å; L244-I263 HydrophobicContact CD2-CD1 4.37Å; L244-I263 HydrophobicContact CD2-CG1 4.48Å; I263-L289 HydrophobicContact CD1-CD2 4.25Å
264	A	84.5	Confident	65.3	Low	0 Å²	0	82.4 Å²	82.4	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127	179.2	0	0	0	0	0	112.1	V197 I198 S200 V231 V238 L241	V197-A264 HydrophobicContact CG1-CB 3.53Å; I198-A264 PolarHBondContact O-N 3.01Å; S200-A264 WeakPolarHBondContact CB-O 3.38Å; S200-A264 PolarHBondContact N-O 2.91Å; S200-A264 VanDerWaalsContact N-O 3.17Å; V231-A264 HydrophobicContact CG1-CB 4.47Å; V238-A264 HydrophobicContact CG1-CB 3.72Å; V238-A264 HydrophobicContact CG2-CB 4.06Å; L241-A264 HydrophobicContact CD2-CB 4.08Å
265	C	78.4	Confident	63.9	Low	24 Å²	24	87.7 Å²	87.7	16%	0.162	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.6	-178.3	-68	0	0	0	0	111.6	R239 R240 Y242	R239-C265 PolarHBondContact N-O 3.05Å; R240-C265 HydrophobicContact CB-CB 4.42Å; R240-C265 PolarHBondContact N-O 2.86Å; R240-C265 PolarHBondContact O-N 3.2Å; Y242-C265 HydrophobicContact CE2-CB 4.26Å
266	G	78.9	Confident	62.4	Low	10 Å²	10	91.3 Å²	91.3	10%	0.103	46%	0.456	C	S	.	.			trans	-81.2	-165.2	-178.9	0	0	0	0	0	114.9
267	P	61.8	Low	60.9	Low	58 Å²	58	92.9 Å²	92.9	38%	0.377	46%	0.463	S	S	.	.	S	Bend	trans	-84.2	-9.5	-179.1	-5.5	25.7	0	0	0	114.1	S235 A237 R239	S235-P267 WeakPolarHBondContact O-CD 3.45Å; A237-P267 VanDerWaalsContact O-CD 3.3Å; A237-P267 WeakPolarHBondContact O-CD 3.42Å; A237-P267 WeakPolarHBondContact O-CG 3.44Å; R239-P267 HydrophobicContact CG-CG 4.4Å
268	E	58.1	Low	59.3	Low	145 Å²	145	97 Å²	97	68%	0.678	48%	0.481	S	S	*	.			trans	-66	147	-166.6	-102.5	176.5	-149.1	0	0	114.7	S235	S235-E268 WeakPolarHBondContact CA-OE1 3.41Å; S235-E268 WeakPolarHBondContact CB-OE1 3.49Å
269	K	45.2	Very low	57.9	Low	191 Å²	191	93.4 Å²	93.4	83%	0.83	46%	0.461	S	S	*	.			trans	-103.5	130.7	172.3	-64.4	-177.7	179.8	-178.4	0	108.7	R271	K269-R271 PolarHBondContact O-N 2.89Å
270	Y	49.8	Very low	55.9	Low	172 Å²	172	98.1 Å²	98.1	68%	0.675	48%	0.482	S	S	*	.			trans	-23.9	110	174.3	-72.8	-87.7	0	0	0	115	L279	Y270-L279 PolarHBondContact OH-N 2.97Å
271	R	35.8	Very low	54.1	Low	241 Å²	241	104.1 Å²	104.1	91%	0.909	51%	0.507	S	S	*	.			trans	-136.7	79.7	162.7	-82.3	-166.8	168.9	160.5	-2.5	111.7	K269	K269-R271 PolarHBondContact O-N 2.89Å
272	Y	38.2	Very low	52.1	Low	207 Å²	207	106.1 Å²	106.1	81%	0.812	52%	0.523	S	S	*	.			trans	43.5	87.6	145.4	-107.1	-92.5	0	0	0	118.4	Q274	Y272-Q274 VanDerWaalsContact CE1-OE1 3.3Å
273	G	35.3	Very low	49.8	Very low	66 Å²	66	109.4 Å²	109.4	68%	0.68	56%	0.557	S	S	*	*				-119	143.2	126.1	0	0	0	0	0	107.3
274	Q	41.6	Very low	47.7	Very low	145 Å²	145	116.8 Å²	116.8	68%	0.678	59%	0.588	S	S	*	*	S	Bend	trans	-64.8	157.3	169	-121.8	93.3	-6.8	0	0	109.7	Y272	Y272-Q274 VanDerWaalsContact CE1-OE1 3.3Å
275	D	42.7	Very low	45.5	Very low	155 Å²	155	118.8 Å²	118.8	83%	0.829	61%	0.605	S	S	*	*	S	Bend	trans	68.9	46.2	172.3	-53.5	-27.8	0	0	0	118.3
276	D	39.1	Very low	43.7	Very low	80 Å²	80	122.4 Å²	122.4	43%	0.428	63%	0.631	S	S	.	*	S	Bend	trans	-159.9	144.2	144	-115.5	-38.9	0	0	0	113.3	R205	R205-D276 IonicContact CZ-OD2 3.35Å; R205-D276 IonicContact NH2-OD1 2.6Å; R205-D276 PolarHBondContact NH2-OD1 3.39Å; R205-D276 IonicContact NH2-OD2 2.72Å; R205-D276 PolarHBondContact NH2-OD2 3.18Å
277	F	40.7	Very low	41.9	Very low	78 Å²	78	126.8 Å²	126.8	34%	0.342	66%	0.655	S	S	.	*			trans	42.6	91.5	169	-56.8	-70.4	0	0	0	119.7	R205 L289	R205-F277 VanDerWaalsContact NH2-CE2 3.32Å; F277-L289 HydrophobicContact CE1-CD1 4Å; F277-L289 HydrophobicContact CZ-CD1 3.82Å
278	V	38.2	Very low	40.9	Very low	121 Å²	121	127.6 Å²	127.6	73%	0.733	67%	0.667	S	S	*	*			trans	-91	119.2	148	179.8	0	0	0	0	108.8	E280	V278-E280 HydrophobicContact CG1-CG 4.3Å
279	L	43.4	Very low	40.2	Very low	79 Å²	79	122.5 Å²	122.5	41%	0.414	64%	0.644	S	S	.	*			trans	-116	97.5	170.8	-155.2	82.2	0	0	0	108.9	Y270 A285	Y270-L279 PolarHBondContact OH-N 2.97Å; L279-A285 HydrophobicContact CD1-CB 4.02Å
280	E	35.6	Very low	40.1	Very low	142 Å²	142	116.3 Å²	116.3	66%	0.664	62%	0.619	S	S	*	*			trans	-71.3	154.4	175.4	-80.2	-149.6	138.5	0	0	112.3	V278 S282	V278-E280 HydrophobicContact CG1-CG 4.3Å; E280-S282 PolarHBondContact O-N 3.39Å
281	H	40.3	Very low	39.7	Very low	203 Å²	203	112.6 Å²	112.6	94%	0.94	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	14	-175	-88.9	-77.7	0	0	0	115.5
282	S	39.3	Very low	40	Very low	86 Å²	86	107.3 Å²	107.3	60%	0.601	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	2	-176.4	60	0	0	0	0	114.9	E280	E280-S282 PolarHBondContact O-N 3.39Å
283	G	37.2	Very low	40.2	Very low	69 Å²	69	98.7 Å²	98.7	71%	0.711	57%	0.569	S	S	*	*	S	Bend	trans	77.5	31.2	166.9	0	0	0	0	0	115.9
284	K	37.1	Very low	40.5	Very low	180 Å²	180	102.3 Å²	102.3	78%	0.783	57%	0.566	S	S	*	*			trans	-130.9	117.8	171.6	-65.3	-179.2	-177.5	176.2	0	110.2
285	A	38.4	Very low	40.5	Very low	43 Å²	43	100.1 Å²	100.1	36%	0.355	56%	0.562	S	S	.	*			trans	-87.7	153.4	175.8	0	0	0	0	0	111.6	L279	L279-A285 HydrophobicContact CD1-CB 4.02Å
286	S	40.9	Very low	40.5	Very low	100 Å²	100	98.6 Å²	98.6	70%	0.699	55%	0.554	S	S	*	*			trans	-81	151.6	-176	-164.3	0	0	0	0	113.3	A288	S286-A288 PolarHBondContact O-N 3.23Å
287	T	41.8	Very low	40.3	Very low	102 Å²	102	101.1 Å²	101.1	63%	0.626	56%	0.561	S	S	*	*	H	α-helix	trans	-76.8	-10.6	-160.2	45.7	0	0	0	0	116.6	T291	T287-T291 PolarHBondContact O-N 3.18Å; T287-T291 PolarHBondContact O-OG1 3.08Å
288	A	40.2	Very low	39.9	Very low	74 Å²	74	102.5 Å²	102.5	61%	0.612	58%	0.576	S	S	*	*	H	α-helix	trans	-60.9	-56.9	-175.6	0	0	0	0	0	112.6	S286 M290 T291	S286-A288 PolarHBondContact O-N 3.23Å; A288-M290 VanDerWaalsContact C-N 3.32Å; A288-M290 PolarHBondContact O-N 3.04Å; A288-T291 WeakPolarHBondContact O-CB 3.41Å; A288-T291 PolarHBondContact O-N 3.22Å
289	L	42.8	Very low	39.8	Very low	38 Å²	38	100.4 Å²	100.4	20%	0.199	57%	0.567	C	S	.	*	H	α-helix	trans	-66.5	-32.9	-176.2	-170.5	146.8	0	0	0	112.5	L244 I263 F277 T291 C293	L244-L289 HydrophobicContact CD2-CD2 4.03Å; I263-L289 HydrophobicContact CD1-CD2 4.25Å; F277-L289 HydrophobicContact CE1-CD1 4Å; F277-L289 HydrophobicContact CZ-CD1 3.82Å; L289-T291 PolarHBondContact O-N 2.85Å; L289-C293 WeakPolarHBondContact O-CB 3.01Å; L289-C293 PolarHBondContact O-N 2.88Å; L289-C293 PolarHBondContact O-SG 2.91Å; L289-C293 VanDerWaalsContact O-SG 3.37Å
290	M	42.8	Very low	39.6	Very low	62 Å²	62	106.9 Å²	106.9	31%	0.305	59%	0.587	S	S	.	*	H	α-helix	trans	-59.2	-30.9	172	-88.1	-167.1	173.2	0	0	113.3	E245 A288 K294	E245-M290 HydrophobicContact CB-CE 4.18Å; E245-M290 HydrophobicContact CG-CE 4.2Å; A288-M290 VanDerWaalsContact C-N 3.32Å; A288-M290 PolarHBondContact O-N 3.04Å; M290-K294 WeakPolarHBondContact O-CB 3.12Å; M290-K294 WeakPolarHBondContact O-CG 3.37Å; M290-K294 PolarHBondContact O-N 2.77Å
291	T	42.6	Very low	39.2	Very low	94 Å²	94	104.3 Å²	104.3	58%	0.577	59%	0.585	S	S	*	*	H	α-helix	trans	-76.4	-45.6	-174.3	-54.6	0	0	0	0	110.5	T287 A288 L289	T287-T291 PolarHBondContact O-N 3.18Å; T287-T291 PolarHBondContact O-OG1 3.08Å; A288-T291 WeakPolarHBondContact O-CB 3.41Å; A288-T291 PolarHBondContact O-N 3.22Å; L289-T291 PolarHBondContact O-N 2.85Å
292	E	42.5	Very low	38.6	Very low	129 Å²	129	106.8 Å²	106.8	60%	0.603	59%	0.586	S	S	*	*	H	α-helix	trans	-62.2	-47.2	170.9	-68.7	-175.5	131.2	0	0	111.3	K294 V295	E292-K294 VanDerWaalsContact C-N 3.31Å; E292-K294 PolarHBondContact O-N 2.79Å; E292-V295 PolarHBondContact O-N 3.39Å
293	C	42.5	Very low	38.2	Very low	26 Å²	26	107.7 Å²	107.7	18%	0.176	59%	0.593	C	S	.	*	H	α-helix	trans	-68.6	-23.7	-177.3	-66.6	0	0	0	0	114.3	L244 L289	L244-C293 HydrophobicContact CD1-CB 3.95Å; L244-C293 HydrophobicContact CD2-CB 4.34Å; L289-C293 WeakPolarHBondContact O-CB 3.01Å; L289-C293 PolarHBondContact O-N 2.88Å; L289-C293 PolarHBondContact O-SG 2.91Å; L289-C293 VanDerWaalsContact O-SG 3.37Å
294	K	40.2	Very low	37.7	Very low	143 Å²	143	111 Å²	111	62%	0.622	60%	0.599	S	S	*	*	H	α-helix	trans	-70.6	-31.2	174.4	-94	-178.7	172.7	175.2	0	113.5	M290 E292 L296 K297 T298	M290-K294 WeakPolarHBondContact O-CB 3.12Å; M290-K294 WeakPolarHBondContact O-CG 3.37Å; M290-K294 PolarHBondContact O-N 2.77Å; E292-K294 VanDerWaalsContact C-N 3.31Å; E292-K294 PolarHBondContact O-N 2.79Å; K294-L296 PolarHBondContact O-N 2.81Å; K294-K297 PolarHBondContact O-N 2.72Å; K294-T298 PolarHBondContact O-N 2.92Å; K294-T298 PolarHBondContact O-OG1 2.81Å
295	V	42.8	Very low	37.5	Very low	98 Å²	98	108.3 Å²	108.3	59%	0.594	60%	0.598	S	S	*	*	H	α-helix	trans	-63	-29.3	178.5	176.8	0	0	0	0	111.7	E292 T298 S299	E292-V295 PolarHBondContact O-N 3.39Å; V295-T298 PolarHBondContact O-OG1 3.14Å; V295-S299 PolarHBondContact O-OG 2.89Å
296	L	43.1	Very low	37.2	Very low	124 Å²	124	112.5 Å²	112.5	65%	0.649	62%	0.622	S	S	*	*	H	α-helix	trans	-73.4	-22	173.6	-66.2	168.1	0	0	0	113.7	K294 S299	K294-L296 PolarHBondContact O-N 2.81Å; L296-S299 PolarHBondContact O-OG 3.34Å
297	K	34.3	Very low	36.6	Very low	132 Å²	132	114.6 Å²	114.6	57%	0.574	63%	0.625	S	S	*	*	H	α-helix	trans	-92.6	-24.8	-177.5	-147	167.4	-172.5	173.9	0	112.6	K294 S301	K294-K297 PolarHBondContact O-N 2.72Å; K297-S301 PolarHBondContact O-OG 2.73Å
298	T	32.6	Very low	35.9	Very low	107 Å²	107	121.3 Å²	121.3	66%	0.656	64%	0.639	S	S	*	*	H	α-helix	trans	-82.2	-16.3	177	48.7	0	0	0	0	114.5	K294 V295	K294-T298 PolarHBondContact O-N 2.92Å; K294-T298 PolarHBondContact O-OG1 2.81Å; V295-T298 PolarHBondContact O-OG1 3.14Å
299	S	35.8	Very low	35.1	Very low	78 Å²	78	123 Å²	123	55%	0.545	65%	0.653	S	S	.	*	S	Bend	trans	-85	-14.8	-176.2	29.4	0	0	0	0	114.3	V295 L296	V295-S299 PolarHBondContact O-OG 2.89Å; L296-S299 PolarHBondContact O-OG 3.34Å
300	Y	38.2	Very low	34.3	Very low	214 Å²	214	124.5 Å²	124.5	84%	0.839	68%	0.677	S	S	*	*	S	Bend	trans	-112.3	12.3	-173.4	-82.8	-85.3	0	0	0	115.2
301	S	28.6	Very low	33.5	Very low	89 Å²	89	131.9 Å²	131.9	62%	0.622	71%	0.708	S	S	*	*			trans	-129.5	89	-174.5	44.5	0	0	0	0	114	K297	K297-S301 PolarHBondContact O-OG 2.73Å
302	R	26.6	Very low	32.9	Very low	255 Å²	255	132.8 Å²	132.8	96%	0.962	72%	0.718	S	S	*	*			trans	-137.1	129.7	154.7	-129.3	178.4	-172.2	-166.3	1.3	110.8
303	S	30.6	Very low	32.9	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	73%	0.725	S	S	*	*			trans	-92.3	165	-164.6	57.9	0	0	0	0	114.2
304	T	27.4	Very low	32.2	Very low	137 Å²	137	142.8 Å²	142.8	84%	0.84	76%	0.761	S	S	*	*			trans	-47.3	145	163.2	31	0	0	0	0	113.3
305	T	32	Very low	32.9	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	77%	0.766	S	S	*	*			trans	-104.2	142.4	172.9	49.2	0	0	0	0	111.8
306	P	32.1	Very low	32.1	Very low	131 Å²	131	141.9 Å²	141.9	85%	0.851	78%	0.775	S	S	*	*			trans	-71.6	164.6	164	-9.7	26.8	0	0	0	111.8
307	N	28.9	Very low	31.4	Very low	144 Å²	144	147.6 Å²	147.6	77%	0.77	79%	0.788	S	S	*	*			trans	-104.3	147.3	-169.1	-107.8	-27.1	0	0	0	115.6
308	W	26.7	Very low	31.2	Very low	242 Å²	242	152.2 Å²	152.2	92%	0.917	80%	0.802	S	S	*	*			trans	60.9	107.2	147.8	-84.5	17.5	0	0	0	122.8
309	A	24.9	Very low	31.2	Very low	110 Å²	110	151.5 Å²	151.5	91%	0.909	80%	0.801	S	S	*	*				-172.3	148.2	115	0	0	0	0	0	109.3
310	G	25.7	Very low	31	Very low	69 Å²	69	157.5 Å²	157.5	71%	0.711	82%	0.817	S	S	*	*			cis	172	152	-11.8	0	0	0	0	0	112.1
311	K	25.9	Very low	30.7	Very low	218 Å²	218	152.5 Å²	152.5	95%	0.948	81%	0.814	S	S	*	*			trans	80.1	146.8	173.2	-54.4	177.4	-178.9	176.4	0	118.8
312	S	30.1	Very low	31.8	Very low	112 Å²	112	154.1 Å²	154.1	78%	0.783	82%	0.822	S	S	*	*			trans	-96.7	-176.7	179.5	-32.2	0	0	0	0	111.4
313	P	42.3	Very low	31.9	Very low	116 Å²	116	147.7 Å²	147.7	75%	0.753	81%	0.811	S	S	*	*				-162.2	142.7	59	40.8	-16.3	0	0	0	121.6
314	R	26.9	Very low	32.1	Very low	249 Å²	249	148.4 Å²	148.4	94%	0.94	82%	0.815	S	S	*	*			trans	57.3	-175.6	137.7	-100.6	-155	158.3	-174	-3.7	120.3
315	P	54.5	Low	32.1	Very low	112 Å²	112	145.6 Å²	145.6	73%	0.727	81%	0.806	S	S	*	*			trans	-133.3	170.6	-151.1	46.4	-32.2	0	0	0	118.7
316	S	27.2	Very low	32	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	81%	0.813	S	S	*	*			trans	-169.9	149.9	149.1	58.7	0	0	0	0	108.3
317	R	27.6	Very low	31.8	Very low	244 Å²	244	154.4 Å²	154.4	92%	0.921	81%	0.814	S	S	*	*			cis	70.2	104	38	-140.9	-170.3	-157.5	-150.4	6.7	114.4
318	R	30	Very low	32.5	Very low	230 Å²	230	152.6 Å²	152.6	87%	0.868	81%	0.81	S	S	*	*				166.5	101.5	122.9	-173.6	163.5	-167.4	179.8	3.8	116.4
319	S	32.6	Very low	32.7	Very low	91 Å²	91	148 Å²	148	64%	0.636	80%	0.802	S	S	*	*			trans	35.7	145	140.7	70.1	0	0	0	0	124.3
320	K	31.8	Very low	32.8	Very low	204 Å²	204	150.1 Å²	150.1	89%	0.887	79%	0.793	S	S	*	*				-160.9	165	120.8	-105	161.7	-174	-178.3	0	112.5
321	S	31.4	Very low	32.9	Very low	110 Å²	110	154 Å²	154	77%	0.769	79%	0.792	S	S	*	*			trans	-151.1	-169	-175.6	-44.6	0	0	0	0	107.5
322	P	53.2	Low	32.9	Very low	122 Å²	122	148 Å²	148	79%	0.792	78%	0.778	S	S	*	*			cis	-106.9	-142	-8.7	15.8	9.6	0	0	0	112.4
323	V	28.9	Very low	32.9	Very low	121 Å²	121	147.6 Å²	147.6	73%	0.733	78%	0.775	S	S	*	*			cis	-156.6	125.4	17.6	176.8	0	0	0	0	113.2
324	S	33.8	Very low	32.1	Very low	119 Å²	119	149.7 Å²	149.7	83%	0.832	78%	0.778	S	S	*	*			trans	55.3	163.2	151.9	-128.8	0	0	0	0	120.3
325	A	27.6	Very low	32	Very low	78 Å²	78	143 Å²	143	65%	0.645	77%	0.769	S	S	*	*			cis	-155.5	162.7	13.2	0	0	0	0	0	115.9
326	R	29.3	Very low	30.5	Very low	241 Å²	241	142.8 Å²	142.8	91%	0.909	77%	0.77	S	S	*	*			trans	58.3	94.8	151	-69.4	178.1	-180	-175.5	-0.1	122.6
327	K	29	Very low	30.4	Very low	201 Å²	201	144.2 Å²	144.2	87%	0.874	77%	0.767	S	S	*	*				1.7	166.1	114.1	-95.6	-172.8	177.9	-174.1	0	119.9
328	P	42.6	Very low	30.2	Very low	105 Å²	105	141.6 Å²	141.6	68%	0.682	76%	0.763	S	S	*	*			cis	-147.6	-170.5	-5	29.9	-2.7	0	0	0	118.3
329	I	30.5	Very low	30	Very low	146 Å²	146	134.4 Å²	134.4	75%	0.749	75%	0.748	S	S	*	*			trans	97.9	103.1	150.6	-50.2	-165.5	0	0	0	122.3
330	H	28.1	Very low	29.7	Very low	155 Å²	155	138.7 Å²	138.7	72%	0.718	76%	0.758	S	S	*	*			trans	44.8	144.8	132.3	-72.8	-99.7	0	0	0	128.1
331	H	27.4	Very low	29.5	Very low	151 Å²	151	134.1 Å²	134.1	70%	0.699	75%	0.747	S	S	*	*			trans	73.3	94.1	141.8	-73.9	-55.1	0	0	0	124.5
332	S	25.8	Very low	29.4	Very low	92 Å²	92	136.2 Å²	136.2	64%	0.643	75%	0.749	S	S	*	*				42.2	144	113.9	58.4	0	0	0	0	124.9
333	S	30.5	Very low	28.1	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	75%	0.745	S	S	*	*			trans	87.9	126.6	141.8	41.8	0	0	0	0	123.9
334	L	24.8	Very low	27.9	Very low	159 Å²	159	134.8 Å²	134.8	83%	0.832	75%	0.752	S	S	*	*			trans	66.7	108.3	137.9	-69.4	164.6	0	0	0	123.1
335	C	25.3	Very low	27.5	Very low	109 Å²	109	134.5 Å²	134.5	74%	0.736	75%	0.75	S	S	*	*				50.8	119.6	123.3	-81.6	0	0	0	0	124.3
336	S	23.2	Very low	27.3	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	75%	0.749	S	S	*	*				90.7	162.9	124.2	-60.6	0	0	0	0	121.6
337	I	25.3	Very low	27.5	Very low	140 Å²	140	132.3 Å²	132.3	72%	0.718	75%	0.749	S	S	*	*			trans	104.9	109	153.6	-57.3	-171.5	0	0	0	118.7
338	K	22.5	Very low	27.3	Very low	189 Å²	189	134.1 Å²	134.1	82%	0.822	75%	0.751	S	S	*	*			trans	68.5	161.8	149.2	-72	171.3	-167.4	172.3	0	120
339	S	27.4	Very low	26.6	Very low	80 Å²	80	133.7 Å²	133.7	56%	0.559	75%	0.75	S	S	*	*			cis	-178	149	-29.4	57.1	0	0	0	0	112.3
340	Q	24.9	Very low	26.5	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	75%	0.752	S	S	*	*			trans	62	160.2	147.2	-73.6	-178.2	-67	0	0	118.9
341	V	28.1	Very low	26.6	Very low	109 Å²	109	135.3 Å²	135.3	66%	0.661	76%	0.761	S	S	*	*			cis	-156.7	145.6	-24.1	120.3	0	0	0	0	109.7
342	N	29.4	Very low	26.6	Very low	154 Å²	154	132.8 Å²	132.8	82%	0.824	76%	0.76	S	S	*	*			trans	159.5	129	149.2	-83.5	-27.6	0	0	0	106.7
343	G	25.5	Very low	26.8	Very low	68 Å²	68	132.8 Å²	132.8	70%	0.701	76%	0.76	S	S	*	*				80.5	119.7	83.2	0	0	0	0	0	109.7
344	V	25.7	Very low	26.6	Very low	144 Å²	144	134.5 Å²	134.5	87%	0.873	77%	0.766	S	S	*	*			cis	-159.9	147.7	30.2	156.6	0	0	0	0	111.6
345	S	24.2	Very low	27.2	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	77%	0.765	S	S	*	*			trans	75.9	153.6	158.8	-157.1	0	0	0	0	122
346	A	24.4	Very low	27.1	Very low	76 Å²	76	132.6 Å²	132.6	63%	0.628	76%	0.764	S	S	*	*			trans	77.6	129.6	153.4	0	0	0	0	0	122.1
347	H	33.8	Very low	28.3	Very low	197 Å²	197	132.8 Å²	132.8	91%	0.912	76%	0.763	S	S	*	*			trans	61.9	151.2	168.6	-60	-73.6	0	0	0	118.8
348	R	25.1	Very low	28.4	Very low	238 Å²	238	132.6 Å²	132.6	90%	0.898	77%	0.769	S	S	*	*			trans	-139	116.5	-148.4	-172.6	-178.4	-175	-143.6	3.5	114
349	S	26.7	Very low	28.7	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	77%	0.767	S	S	*	*			trans	22.8	116.2	148.7	-58.8	0	0	0	0	119.7
350	T	28.4	Very low	29.5	Very low	127 Å²	127	130.3 Å²	130.3	78%	0.779	77%	0.774	S	S	*	*				89.6	153	54.1	63.9	0	0	0	0	116.1
351	K	29.8	Very low	29.6	Very low	208 Å²	208	132.8 Å²	132.8	90%	0.904	78%	0.776	S	S	*	*			trans	85.6	167.3	159.3	-77.6	-178.5	174.7	-176.6	0	120.3
352	S	28.8	Very low	29.5	Very low	97 Å²	97	132.6 Å²	132.6	68%	0.678	78%	0.775	S	S	*	*			trans	-113.4	-179	-161.8	56.6	0	0	0	0	113.2
353	S	28.7	Very low	29.7	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	77%	0.77	S	S	*	*			trans	63.6	105.4	150	51.4	0	0	0	0	119.5
354	T	25.8	Very low	30.3	Very low	140 Å²	140	134.7 Å²	134.7	86%	0.859	78%	0.775	S	S	*	*			trans	62.1	172.6	157.6	57.6	0	0	0	0	116.4
355	P	38.2	Very low	30.4	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	77%	0.774	S	S	*	*			cis	-126.6	-161	-4.3	39.6	-20.3	0	0	0	113.9
356	S	24.2	Very low	30.6	Very low	104 Å²	104	140 Å²	140	73%	0.727	77%	0.772	S	S	*	*			trans	-74.5	-174.1	164.6	-38.2	0	0	0	0	111.8
357	P	47.6	Very low	30.7	Very low	111 Å²	111	145.4 Å²	145.4	72%	0.721	78%	0.781	S	S	*	*			cis	-140	-170.3	1	39.6	-18.4	0	0	0	116.6
358	T	26.6	Very low	30.4	Very low	136 Å²	136	143.3 Å²	143.3	83%	0.834	78%	0.776	S	S	*	*			trans	77.7	150	157.8	24.6	0	0	0	0	121.6
359	S	28.6	Very low	30.9	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	77%	0.766	S	S	*	*			trans	-101.6	-167.5	-170.2	-40.1	0	0	0	0	111.5
360	P	45.2	Very low	31.3	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	77%	0.773	S	S	*	*			cis	-144.7	178.1	6.8	44.1	-24.7	0	0	0	118.9
361	R	25.8	Very low	31.5	Very low	233 Å²	233	138.8 Å²	138.8	88%	0.879	76%	0.764	S	S	*	*			trans	63.9	146.3	149.9	-86.9	-170.2	174.4	-168.4	-0.9	119.3
362	T	27.3	Very low	31.5	Very low	105 Å²	105	137.2 Å²	137.2	64%	0.644	76%	0.757	S	S	*	*			cis	-161.2	142	-13.4	-4	0	0	0	0	112.1
363	I	33.1	Very low	31.5	Very low	143 Å²	143	140.2 Å²	140.2	73%	0.733	76%	0.761	S	S	*	*			trans	35.4	127.5	131.8	-67.9	177.9	0	0	0	119
364	P	38.5	Very low	31.5	Very low	122 Å²	122	141.9 Å²	141.9	79%	0.792	77%	0.767	S	S	*	*				-150.6	135.4	80.8	37.6	-17.3	0	0	0	121.6
365	R	27.8	Very low	31.6	Very low	226 Å²	226	139.9 Å²	139.9	85%	0.853	76%	0.759	S	S	*	*			trans	29.9	136.7	138.9	-70.6	-174.1	164.5	-156	-3.4	122.6
366	L	27.2	Very low	31.3	Very low	143 Å²	143	139.7 Å²	139.7	75%	0.749	76%	0.761	S	S	*	*				180	161.4	96.1	-82.4	173	0	0	0	107.4
367	K	26.3	Very low	32.6	Very low	190 Å²	190	140 Å²	140	83%	0.826	76%	0.76	S	S	*	*			cis	-151.1	174.6	10.3	-138.6	163.8	-170.3	179.2	0	110.6
368	L	27.9	Very low	31.8	Very low	153 Å²	153	141.8 Å²	141.8	80%	0.801	76%	0.763	S	S	*	*			trans	-129.8	170.3	-176.2	-160.3	84.9	0	0	0	111.2
369	P	37	Very low	32	Very low	108 Å²	108	140.7 Å²	140.7	70%	0.701	76%	0.756	S	S	*	*				-132.8	126.9	128.2	12.1	9.9	0	0	0	115.6
370	Q	34.8	Very low	32.2	Very low	177 Å²	177	143 Å²	143	83%	0.827	76%	0.76	S	S	*	*				53.3	148.7	108.7	-67.5	175.5	-35.2	0	0	121.3
371	S	32.5	Very low	31.5	Very low	83 Å²	83	141.1 Å²	141.1	58%	0.58	76%	0.76	S	S	*	*			cis	-149.2	169.8	6	39.4	0	0	0	0	110.5
372	F	29.3	Very low	31.7	Very low	175 Å²	175	136.9 Å²	136.9	77%	0.768	76%	0.755	S	S	*	*			cis	-160.3	150.6	46.9	-80.3	-91.1	0	0	0	115.1
373	Q	30	Very low	31.9	Very low	160 Å²	160	138.2 Å²	138.2	75%	0.748	76%	0.758	S	S	*	*			trans	48.4	109.5	138.9	-70.9	175.7	10.6	0	0	121.4
374	T	26.9	Very low	31.8	Very low	127 Å²	127	136.7 Å²	136.7	78%	0.779	76%	0.761	S	S	*	*				84.6	141.9	76.8	52.9	0	0	0	0	116.2
375	S	29.6	Very low	31.4	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	76%	0.76	S	S	*	*			cis	-178.1	129.7	-16.4	50.5	0	0	0	0	114.2
376	S	32	Very low	31.4	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	75%	0.754	S	S	*	*			trans	50.6	172.4	142.5	-48.9	0	0	0	0	121.9
377	P	51.4	Low	31.5	Very low	109 Å²	109	134.2 Å²	134.2	71%	0.708	76%	0.757	S	S	*	*			cis	-140.3	176.7	1.5	43.3	-24.8	0	0	0	119.3
378	N	29.8	Very low	31.6	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	75%	0.753	S	S	*	*			trans	101.2	132.7	132.8	-92.5	6.8	0	0	0	126.9
379	V	31.7	Very low	31.7	Very low	113 Å²	113	133.4 Å²	133.4	69%	0.685	76%	0.756	S	S	*	*			trans	91.4	118.8	140.8	169.9	0	0	0	0	122.7
380	N	31.6	Very low	31.4	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	76%	0.758	S	S	*	*			trans	50.8	157.9	153.1	-61.7	3.5	0	0	0	121.5
381	G	30.1	Very low	31	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	76%	0.761	S	S	*	*			cis	177.4	164	-5.1	0	0	0	0	0	113.7
382	N	30.5	Very low	30.6	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	77%	0.767	S	S	*	*			trans	-23.3	144.6	-173.1	-70.3	59.5	0	0	0	124.7
383	D	30.9	Very low	30.5	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	77%	0.768	S	S	*	*			trans	34.7	129	130.1	-41.5	-34.9	0	0	0	123.3
384	S	31	Very low	30.4	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	77%	0.769	S	S	*	*				160.1	119.1	112.5	-71.2	0	0	0	0	116.8
385	I	30.6	Very low	31.1	Very low	151 Å²	151	133.3 Å²	133.3	77%	0.774	77%	0.766	S	S	*	*			trans	36.2	119.8	135.6	-60.1	169.8	0	0	0	121.6
386	N	29.3	Very low	31	Very low	135 Å²	135	138 Å²	138	72%	0.722	78%	0.777	S	S	*	*			trans	43.9	118.6	148	-58.1	-3	0	0	0	122.6
387	N	27.9	Very low	31.1	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	78%	0.776	S	S	*	*				-178.3	124.5	92.1	-101.3	-29.3	0	0	0	116.6
388	H	29.3	Very low	30.2	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.736	78%	0.779	S	S	*	*				48.2	106	127.7	-156.6	-68.2	0	0	0	122.8
389	L	29.4	Very low	30.3	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	77%	0.773	S	S	*	*			trans	-159.6	142.9	132.7	-157.8	63.2	0	0	0	112.8
390	E	29.8	Very low	30.5	Very low	161 Å²	161	137.8 Å²	137.8	75%	0.752	78%	0.776	S	S	*	*			trans	-97.7	143.5	175.5	-64.7	-174.8	116.2	0	0	113.5
391	K	27	Very low	30.6	Very low	202 Å²	202	138.5 Å²	138.5	88%	0.878	77%	0.774	S	S	*	*			trans	-173.7	102.8	142.6	-105.2	164.8	-177	178.1	0	109.3
392	T	25.2	Very low	31.3	Very low	118 Å²	118	146 Å²	146	72%	0.724	78%	0.783	S	S	*	*				85	95.4	72	-57.9	0	0	0	0	114
393	V	27.3	Very low	32.2	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	77%	0.773	S	S	*	*			trans	63.1	121	143.6	-172.6	0	0	0	0	117.8
394	S	27.2	Very low	33	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	76%	0.764	S	S	*	*				-168	170.2	93.1	-66.5	0	0	0	0	111.4
395	P	40.4	Very low	33.9	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	76%	0.755	S	S	*	*			trans	-116.2	169.7	-144.1	42.2	-35.1	0	0	0	116.8
396	E	28	Very low	35.2	Very low	195 Å²	195	135.9 Å²	135.9	91%	0.911	73%	0.732	S	S	*	*			trans	-113.1	137	156.6	-69.3	-165.6	135.9	0	0	110.9
397	V	34	Very low	37.3	Very low	134 Å²	134	131.8 Å²	131.8	81%	0.812	71%	0.714	S	S	*	*			trans	-99.5	99.7	-173.3	178.5	0	0	0	0	109.9	G399	V397-G399 PolarHBondContact O-N 3.02Å
398	N	32.1	Very low	40	Very low	146 Å²	146	125.1 Å²	125.1	78%	0.781	68%	0.679	S	S	*	*			trans	-88.1	87.9	175.3	-157.8	12.2	0	0	0	110.6	N400	N398-N400 VanDerWaalsContact C-N 3.28Å; N398-N400 PolarHBondContact O-N 3.2Å
399	G	33.8	Very low	42.7	Very low	64 Å²	64	122 Å²	122	66%	0.66	67%	0.667	S	S	*	*			trans	-74.8	55.2	-168	0	0	0	0	0	116.7	V397 Q401	V397-G399 PolarHBondContact O-N 3.02Å; G399-Q401 PolarHBondContact O-N 3.19Å
400	N	34.3	Very low	45.5	Very low	143 Å²	143	120.8 Å²	120.8	77%	0.765	66%	0.657	S	S	*	*			trans	-84.9	87.2	171.8	-79.9	-4.7	0	0	0	111.4	N398	N398-N400 VanDerWaalsContact C-N 3.28Å; N398-N400 PolarHBondContact O-N 3.2Å
401	Q	33.9	Very low	48.5	Very low	174 Å²	174	116.3 Å²	116.3	81%	0.813	64%	0.635	S	S	*	*			trans	-96.4	122.5	162.7	-69.8	-170.6	6.2	0	0	110.3	G399	G399-Q401 PolarHBondContact O-N 3.19Å
402	Y	46.2	Very low	51.8	Low	229 Å²	229	106.7 Å²	106.7	90%	0.898	59%	0.593	S	S	*	*			trans	-122.2	100.1	168.3	-109.7	-90.9	0	0	0	107.9
403	P	48.4	Very low	55.2	Low	86 Å²	86	104.2 Å²	104.2	56%	0.558	58%	0.577	S	S	*	*			trans	-139.4	70.6	-177.7	39.1	-18.9	0	0	0	113.7
404	E	48.6	Very low	58.4	Low	113 Å²	113	100.2 Å²	100.2	53%	0.528	55%	0.553	S	S	.	*	S	Bend	trans	-128	-38.2	171.5	-71.4	-171.7	153.3	0	0	113.3	S406 S407 P480	E404-S406 PolarHBondContact O-N 3.03Å; E404-S407 PolarHBondContact O-OG 3.2Å; E404-P480 VanDerWaalsContact OE2-CD 3.3Å; E404-P480 WeakPolarHBondContact OE2-CD 3.05Å
405	S	48.6	Very low	61.5	Low	86 Å²	86	97 Å²	97	60%	0.601	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.5	174.1	52.2	0	0	0	0	114.5
406	S	58.2	Low	64	Low	41 Å²	41	96.7 Å²	96.7	29%	0.287	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-46	178.2	-25.1	0	0	0	0	112.3	E404 I408 L409 E410	E404-S406 PolarHBondContact O-N 3.03Å; S406-I408 PolarHBondContact O-N 3.14Å; S406-L409 PolarHBondContact O-N 3.47Å; S406-E410 WeakPolarHBondContact CB-OE1 3.24Å; S406-E410 WeakPolarHBondContact O-CG 3.36Å; S406-E410 PolarHBondContact O-N 2.69Å
407	S	73.1	Confident	67.2	Low	50 Å²	50	91.2 Å²	91.2	35%	0.35	50%	0.504	S	S	.	.	H	α-helix	trans	-49.9	-51	-169.6	55.6	0	0	0	0	114	E404 L409 E410 K411	E404-S407 PolarHBondContact O-OG 3.2Å; S407-L409 PolarHBondContact O-N 3.47Å; S407-E410 PolarHBondContact O-N 2.7Å; S407-K411 PolarHBondContact O-N 2.85Å; S407-K411 VanDerWaalsContact O-N 3.15Å
408	I	84.8	Confident	69.8	Low	13 Å²	13	85.4 Å²	85.4	7%	0.067	47%	0.469	C	S	.	.	H	α-helix	trans	-72.4	-28.7	-176.7	-155.7	165.9	0	0	0	112.6	S406 Y412 L440 V477 C484 V486	S406-I408 PolarHBondContact O-N 3.14Å; I408-Y412 HydrophobicContact CG1-CD2 3.92Å; I408-Y412 WeakPolarHBondContact O-CA 3.24Å; I408-Y412 WeakPolarHBondContact O-CB 3.48Å; I408-Y412 PolarHBondContact O-N 2.86Å; I408-L440 HydrophobicContact CD1-CD1 3.59Å; I408-L440 HydrophobicContact CD1-CD2 4.01Å; I408-L440 HydrophobicContact CD1-CG 4.46Å; I408-V477 HydrophobicContact CB-CG2 4.34Å; I408-V477 HydrophobicContact CD1-CG2 4.33Å; I408-C484 HydrophobicContact CD1-CB 3.81Å; I408-V486 HydrophobicContact CD1-CG2 4Å
409	L	86.2	Confident	72.4	Confident	93 Å²	93	78.8 Å²	78.8	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-81.4	-29.3	176.5	-63.9	176.3	0	0	0	112.1	S406 S407 V414 R432	S406-L409 PolarHBondContact O-N 3.47Å; S407-L409 PolarHBondContact O-N 3.47Å; L409-V414 HydrophobicContact CD2-CB 4.45Å; L409-V414 HydrophobicContact CD2-CG2 3.86Å; L409-R432 VanDerWaalsContact O-CZ 3.29Å; L409-R432 PolarHBondContact O-NE 2.85Å; L409-R432 PolarHBondContact O-NH2 3.19Å
410	E	88.9	Confident	74.9	Confident	141 Å²	141	81.3 Å²	81.3	66%	0.659	43%	0.434	S	S	*	.	H	α-helix	trans	-65.7	-41	171.4	-75	166.3	-151.8	0	0	111.3	S406 S407 R432	S406-E410 WeakPolarHBondContact CB-OE1 3.24Å; S406-E410 WeakPolarHBondContact O-CG 3.36Å; S406-E410 PolarHBondContact O-N 2.69Å; S407-E410 PolarHBondContact O-N 2.7Å; E410-R432 VanDerWaalsContact O-CD 3.24Å; E410-R432 WeakPolarHBondContact O-CD 3.22Å; E410-R432 PolarHBondContact O-NE 3.33Å
411	K	92.8	Very high	77.2	Confident	67 Å²	67	75.2 Å²	75.2	29%	0.291	40%	0.404	S	S	.	.	H	α-helix	trans	-88.5	-36.8	-179.5	-173.7	174.7	171.2	-168.4	0	114.5	S407 E431 R432 E475	S407-K411 PolarHBondContact O-N 2.85Å; S407-K411 VanDerWaalsContact O-N 3.15Å; K411-E431 WeakPolarHBondContact CE-OE1 3.37Å; K411-E431 IonicContact NZ-OE1 3.19Å; K411-E431 PolarHBondContact NZ-OE1 2.92Å; K411-R432 WeakPolarHBondContact O-CB 3.32Å; K411-R432 WeakPolarHBondContact O-CG 3.48Å; K411-R432 PolarHBondContact O-N 2.97Å; K411-E475 IonicContact NZ-OE2 2.71Å; K411-E475 PolarHBondContact NZ-OE2 3.03Å
412	Y	95.6	Very high	79.6	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141	-174.8	-58.4	-92.2	0	0	0	112.5	I408 V430 E431 R432 F438 E475 V486	I408-Y412 HydrophobicContact CG1-CD2 3.92Å; I408-Y412 WeakPolarHBondContact O-CA 3.24Å; I408-Y412 WeakPolarHBondContact O-CB 3.48Å; I408-Y412 PolarHBondContact O-N 2.86Å; Y412-V430 CarbonylContact C-O 3.57Å; Y412-V430 WeakPolarHBondContact CA-O 3.5Å; Y412-E431 HydrophobicContact CD1-CB 3.91Å; Y412-E431 HydrophobicContact CE1-CB 3.73Å; Y412-E431 HydrophobicContact CE1-CG 4.2Å; Y412-R432 PolarHBondContact O-NH2 3.13Å; Y412-F438 HydrophobicContact CD1-CD2 4.42Å; Y412-F438 AromaticContact CE1-CD2 3.88Å; Y412-F438 HydrophobicContact CE1-CD2 3.88Å; Y412-F438 HydrophobicContact CE1-CE2 4.26Å; Y412-E475 PolarHBondContact OH-OE2 2.84Å; Y412-V486 HydrophobicContact CD2-CG2 4.5Å; Y412-V486 HydrophobicContact CE1-CG1 3.89Å; Y412-V486 HydrophobicContact CE2-CG2 4.08Å
413	T	95.9	Very high	81.5	Confident	65 Å²	65	62.6 Å²	62.6	40%	0.399	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	108.9	163	-55.1	0	0	0	0	107.9	C429 V430 R432	T413-C429 CarbonylContact O-C 3.45Å; T413-C429 VanDerWaalsContact O-CA 3.27Å; T413-C429 WeakPolarHBondContact O-CA 3.47Å; T413-V430 PolarHBondContact N-O 3.29Å; T413-V430 PolarHBondContact O-N 2.56Å; T413-R432 PolarHBondContact OG1-NH1 2.94Å; T413-R432 VanDerWaalsContact OG1-NH1 3.1Å
414	V	95	Very high	83.5	Confident	44 Å²	44	58.6 Å²	58.6	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.6	176.2	-178.2	0	0	0	0	109.6	L409 K427 C429 L440	L409-V414 HydrophobicContact CD2-CB 4.45Å; L409-V414 HydrophobicContact CD2-CG2 3.86Å; V414-K427 HydrophobicContact CG1-CB 4.02Å; V414-K427 HydrophobicContact CG1-CD 3.61Å; V414-K427 HydrophobicContact CG1-CG 4.44Å; V414-C429 HydrophobicContact CG2-CB 4.47Å; V414-L440 HydrophobicContact CG1-CD2 4.24Å; V414-L440 HydrophobicContact CG2-CD2 3.7Å
415	G	92.8	Very high	85.5	Confident	42 Å²	42	55 Å²	55	43%	0.433	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-146.4	-178.5	0	0	0	0	0	113.3	E428	G415-E428 WeakPolarHBondContact CA-O 3.49Å; G415-E428 PolarHBondContact N-O 2.7Å
416	K	93.6	Very high	87.7	Confident	104 Å²	104	50.9 Å²	50.9	45%	0.452	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	154.8	-176.1	72.5	-161.4	-174.7	-152.5	0	112.3	I418 K427 E428 T700	K416-I418 HydrophobicContact CD-CG2 4.34Å; K416-I418 HydrophobicContact CG-CG2 3.74Å; K416-I418 PolarHBondContact O-N 3.17Å; K416-K427 CarbonylContact O-C 3.47Å; K416-K427 VanDerWaalsContact O-CA 3.31Å; K416-K427 WeakPolarHBondContact O-CA 3.24Å; K416-E428 WeakPolarHBondContact CD-OE2 3.47Å; K416-E428 WeakPolarHBondContact CE-OE2 3.48Å; K416-E428 HydrophobicContact CG-CB 4.35Å; K416-E428 IonicContact NZ-OE2 2.7Å; K416-E428 PolarHBondContact NZ-OE2 3.36Å; K416-E428 PolarHBondContact O-N 3.33Å; K416-T700 PolarHBondContact NZ-OG1 3.07Å
417	V	93.6	Very high	89.4	Confident	80 Å²	80	52 Å²	52	49%	0.485	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	127.5	162.1	178.2	0	0	0	0	108	G419 D420 V425 K427	V417-G419 WeakPolarHBondContact CG1-O 3.47Å; V417-D420 HydrophobicContact CG1-CB 4.48Å; V417-V425 HydrophobicContact CG1-CG1 3.84Å; V417-V425 HydrophobicContact CG2-CG1 4.03Å; V417-K427 HydrophobicContact CG2-CG 4.1Å
418	I	88.9	Confident	90.4	Very high	13 Å²	13	51 Å²	51	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-15	176.8	56.2	177.6	0	0	0	112.2	K416 V426 E428 L489 T700 V704	K416-I418 HydrophobicContact CD-CG2 4.34Å; K416-I418 HydrophobicContact CG-CG2 3.74Å; K416-I418 PolarHBondContact O-N 3.17Å; I418-V426 HydrophobicContact CD1-CG1 4.1Å; I418-V426 HydrophobicContact CG1-CB 4.28Å; I418-V426 HydrophobicContact CG1-CG1 3.93Å; I418-V426 WeakPolarHBondContact CG1-O 3.41Å; I418-V426 PolarHBondContact N-O 2.81Å; I418-E428 HydrophobicContact CD1-CB 4.28Å; I418-E428 HydrophobicContact CG2-CB 3.93Å; I418-L489 HydrophobicContact CD1-CD1 4.22Å; I418-T700 HydrophobicContact CG2-CG2 4.49Å; I418-V704 HydrophobicContact CB-CG1 4.37Å; I418-V704 HydrophobicContact CB-CG2 4.16Å; I418-V704 HydrophobicContact CD1-CG1 4.36Å; I418-V704 HydrophobicContact CD1-CG2 3.79Å; I418-V704 HydrophobicContact CG1-CG1 3.94Å; I418-V704 HydrophobicContact CG1-CG2 4.03Å
419	G	87.4	Confident	91	Very high	7 Å²	7	50.4 Å²	50.4	7%	0.072	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	145.4	170.1	0	0	0	0	0	111.4	V417 V426	V417-G419 WeakPolarHBondContact CG1-O 3.47Å; G419-V426 PolarHBondContact N-O 2.8Å; G419-V426 PolarHBondContact O-N 2.87Å
420	D	86.6	Confident	91.4	Very high	117 Å²	117	48.1 Å²	48.1	63%	0.626	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.4	177.4	-166.4	-0.6	0	0	0	108.1	V417	V417-D420 HydrophobicContact CG1-CB 4.48Å
421	G	82.8	Confident	91.8	Very high	15 Å²	15	42.6 Å²	42.6	16%	0.155	24%	0.238	C	C	.	.			trans	-129	167.9	-174.4	0	0	0	0	0	111.5	F423 A424	G421-F423 VanDerWaalsContact C-N 3.34Å; G421-F423 PolarHBondContact O-N 2.82Å; G421-A424 CarbonylContact C-O 3.59Å; G421-A424 WeakPolarHBondContact CA-O 3.39Å; G421-A424 PolarHBondContact N-O 2.87Å
422	N	83.3	Confident	91.9	Very high	105 Å²	105	46.3 Å²	46.3	56%	0.561	25%	0.25	S	S	*	.	S	Bend	trans	-57.7	-44.9	-169	-171.2	27.4	0	0	0	112.6	K447	N422-K447 WeakPolarHBondContact O-CD 3.42Å; N422-K447 WeakPolarHBondContact O-CE 3.21Å; N422-K447 PolarHBondContact O-NZ 3.4Å
423	F	85.8	Confident	91.9	Very high	33 Å²	33	50.8 Å²	50.8	15%	0.145	28%	0.282	C	S	.	.	S	Bend	trans	-103.8	-18.5	-179	-55.1	-80.8	0	0	0	114.5	G421 N444 K447 T710 L712 D713	G421-F423 VanDerWaalsContact C-N 3.34Å; G421-F423 PolarHBondContact O-N 2.82Å; F423-N444 PolarHBondContact O-N 3.48Å; F423-K447 HydrophobicContact CD1-CB 4.09Å; F423-T710 HydrophobicContact CB-CG2 4.25Å; F423-L712 HydrophobicContact CB-CD1 4.17Å; F423-L712 HydrophobicContact CD1-CB 4.28Å; F423-L712 HydrophobicContact CD1-CD1 3.53Å; F423-L712 HydrophobicContact CD2-CB 3.52Å; F423-L712 HydrophobicContact CD2-CD1 4.18Å; F423-L712 HydrophobicContact CD2-CG 4.46Å; F423-L712 HydrophobicContact CE1-CB 4.23Å; F423-L712 HydrophobicContact CE1-CD1 3.91Å; F423-L712 HydrophobicContact CE2-CB 3.45Å; F423-L712 VanDerWaalsContact CE2-CB 3.45Å; F423-L712 HydrophobicContact CE2-CD1 4.49Å; F423-L712 HydrophobicContact CG-CB 3.94Å; F423-L712 HydrophobicContact CG-CD1 3.69Å; F423-L712 HydrophobicContact CG-CG 4.43Å; F423-L712 HydrophobicContact CZ-CB 3.83Å; F423-L712 HydrophobicContact CZ-CD1 4.37Å; F423-D713 WeakPolarHBondContact CD2-OD1 3.43Å
424	A	90.1	Very high	91.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.2	-170.6	0	0	0	0	0	113.6	G421 K441 I442 I443 T710	G421-A424 CarbonylContact C-O 3.59Å; G421-A424 WeakPolarHBondContact CA-O 3.39Å; G421-A424 PolarHBondContact N-O 2.87Å; A424-K441 HydrophobicContact CB-CG 4.21Å; A424-I442 CarbonylContact C-O 3.49Å; A424-I442 VanDerWaalsContact CA-O 3.24Å; A424-I442 WeakPolarHBondContact CA-O 3.06Å; A424-I443 HydrophobicContact CB-CG1 3.91Å; A424-T710 HydrophobicContact CB-CG2 3.72Å
425	V	92.4	Very high	91.8	Very high	38 Å²	38	51.5 Å²	51.5	23%	0.23	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130	172.6	-177.6	0	0	0	0	108.9	V417 K427 I442	V417-V425 HydrophobicContact CG1-CG1 3.84Å; V417-V425 HydrophobicContact CG2-CG1 4.03Å; V425-K427 HydrophobicContact CG1-CG 4.45Å; V425-I442 PolarHBondContact N-O 3.37Å; V425-I442 PolarHBondContact O-N 3.07Å
426	V	94.1	Very high	91.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.9	176.3	-167.1	0	0	0	0	110	I418 G419 A439 L440 K441 V704 I707 M708	I418-V426 HydrophobicContact CD1-CG1 4.1Å; I418-V426 HydrophobicContact CG1-CB 4.28Å; I418-V426 HydrophobicContact CG1-CG1 3.93Å; I418-V426 WeakPolarHBondContact CG1-O 3.41Å; I418-V426 PolarHBondContact N-O 2.81Å; G419-V426 PolarHBondContact N-O 2.8Å; G419-V426 PolarHBondContact O-N 2.87Å; V426-A439 HydrophobicContact CG1-CB 4.02Å; V426-L440 CarbonylContact C-O 3.55Å; V426-L440 WeakPolarHBondContact CA-O 3.47Å; V426-K441 HydrophobicContact CG2-CG 4.5Å; V426-V704 HydrophobicContact CB-CG1 3.94Å; V426-V704 HydrophobicContact CG1-CG1 4Å; V426-V704 HydrophobicContact CG2-CG1 4.31Å; V426-I707 HydrophobicContact CG1-CB 4.49Å; V426-I707 HydrophobicContact CG1-CG2 3.84Å; V426-I707 HydrophobicContact CG2-CG2 4.09Å; V426-M708 HydrophobicContact CG2-CB 4.04Å
427	K	94.5	Very high	91.9	Very high	63 Å²	63	57 Å²	57	27%	0.274	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.9	175.5	-62.1	178	-173.4	167.8	0	110.6	V414 K416 V417 V425 L440 I442	V414-K427 HydrophobicContact CG1-CB 4.02Å; V414-K427 HydrophobicContact CG1-CD 3.61Å; V414-K427 HydrophobicContact CG1-CG 4.44Å; K416-K427 CarbonylContact O-C 3.47Å; K416-K427 VanDerWaalsContact O-CA 3.31Å; K416-K427 WeakPolarHBondContact O-CA 3.24Å; V417-K427 HydrophobicContact CG2-CG 4.1Å; V425-K427 HydrophobicContact CG1-CG 4.45Å; K427-L440 PolarHBondContact N-O 2.85Å; K427-L440 PolarHBondContact O-N 2.92Å; K427-I442 HydrophobicContact CD-CD1 3.92Å
428	E	94.4	Very high	92	Very high	29 Å²	29	54.2 Å²	54.2	14%	0.136	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.1	163.5	-172.7	162.2	-133.7	0	0	108.1	G415 K416 I418 K491	G415-E428 WeakPolarHBondContact CA-O 3.49Å; G415-E428 PolarHBondContact N-O 2.7Å; K416-E428 WeakPolarHBondContact CD-OE2 3.47Å; K416-E428 WeakPolarHBondContact CE-OE2 3.48Å; K416-E428 HydrophobicContact CG-CB 4.35Å; K416-E428 IonicContact NZ-OE2 2.7Å; K416-E428 PolarHBondContact NZ-OE2 3.36Å; K416-E428 PolarHBondContact O-N 3.33Å; I418-E428 HydrophobicContact CD1-CB 4.28Å; I418-E428 HydrophobicContact CG2-CB 3.93Å; E428-K491 IonicContact OE1-NZ 3.71Å
429	C	95.4	Very high	92.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.6	169.4	68.8	0	0	0	0	111.7	T413 V414 E437 F438 L440	T413-C429 CarbonylContact O-C 3.45Å; T413-C429 VanDerWaalsContact O-CA 3.27Å; T413-C429 WeakPolarHBondContact O-CA 3.47Å; V414-C429 HydrophobicContact CG2-CB 4.47Å; C429-E437 WeakPolarHBondContact O-CA 3.34Å; C429-F438 PolarHBondContact N-O 2.97Å; C429-F438 PolarHBondContact O-N 2.89Å; C429-L440 HydrophobicContact CB-CB 4.2Å
430	V	96.1	Very high	92.7	Very high	46 Å²	46	53.4 Å²	53.4	28%	0.279	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.9	-177.4	-174.9	0	0	0	0	109.5	Y412 T413 R432 R436 E437	Y412-V430 CarbonylContact C-O 3.57Å; Y412-V430 WeakPolarHBondContact CA-O 3.5Å; T413-V430 PolarHBondContact N-O 3.29Å; T413-V430 PolarHBondContact O-N 2.56Å; V430-R432 PolarHBondContact O-N 2.79Å; V430-R436 CarbonylContact C-O 3.51Å; V430-R436 WeakPolarHBondContact CA-O 3.03Å; V430-E437 HydrophobicContact CG2-CG 4.4Å
431	E	96.1	Very high	93.1	Very high	25 Å²	25	48 Å²	48	12%	0.117	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.4	176.2	-178.9	178	-131.4	0	0	110.1	K411 Y412 S433 T434 G435 R436 F438	K411-E431 WeakPolarHBondContact CE-OE1 3.37Å; K411-E431 IonicContact NZ-OE1 3.19Å; K411-E431 PolarHBondContact NZ-OE1 2.92Å; Y412-E431 HydrophobicContact CD1-CB 3.91Å; Y412-E431 HydrophobicContact CE1-CB 3.73Å; Y412-E431 HydrophobicContact CE1-CG 4.2Å; E431-S433 VanDerWaalsContact C-N 3.26Å; E431-S433 WeakPolarHBondContact CG-OG 3.34Å; E431-S433 PolarHBondContact O-N 3.36Å; E431-T434 PolarHBondContact O-N 3.44Å; E431-T434 WeakPolarHBondContact OE2-CB 3.38Å; E431-T434 WeakPolarHBondContact OE2-CG2 3.33Å; E431-T434 PolarHBondContact OE2-OG1 2.87Å; E431-G435 WeakPolarHBondContact O-CA 3.47Å; E431-G435 PolarHBondContact O-N 2.69Å; E431-R436 PolarHBondContact N-O 3.3Å; E431-F438 HydrophobicContact CB-CD2 4.24Å; E431-F438 HydrophobicContact CB-CE2 3.81Å
432	R	95.3	Very high	93.6	Very high	144 Å²	144	48.1 Å²	48.1	54%	0.543	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-27.4	-171.3	-65.2	177.7	-169.6	-83.3	4.3	113.9	L409 E410 K411 Y412 T413 V430	L409-R432 VanDerWaalsContact O-CZ 3.29Å; L409-R432 PolarHBondContact O-NE 2.85Å; L409-R432 PolarHBondContact O-NH2 3.19Å; E410-R432 VanDerWaalsContact O-CD 3.24Å; E410-R432 WeakPolarHBondContact O-CD 3.22Å; E410-R432 PolarHBondContact O-NE 3.33Å; K411-R432 WeakPolarHBondContact O-CB 3.32Å; K411-R432 WeakPolarHBondContact O-CG 3.48Å; K411-R432 PolarHBondContact O-N 2.97Å; Y412-R432 PolarHBondContact O-NH2 3.13Å; T413-R432 PolarHBondContact OG1-NH1 2.94Å; T413-R432 VanDerWaalsContact OG1-NH1 3.1Å; V430-R432 PolarHBondContact O-N 2.79Å
433	S	95.3	Very high	94.1	Very high	94 Å²	94	43.2 Å²	43.2	66%	0.657	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-22.8	-177.5	51.7	0	0	0	0	114.1	E431	E431-S433 VanDerWaalsContact C-N 3.26Å; E431-S433 WeakPolarHBondContact CG-OG 3.34Å; E431-S433 PolarHBondContact O-N 3.36Å
434	T	95.8	Very high	94.3	Very high	72 Å²	72	44 Å²	44	44%	0.442	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-15.2	-174	66.5	0	0	0	0	114.2	E431 R436	E431-T434 PolarHBondContact O-N 3.44Å; E431-T434 WeakPolarHBondContact OE2-CB 3.38Å; E431-T434 WeakPolarHBondContact OE2-CG2 3.33Å; E431-T434 PolarHBondContact OE2-OG1 2.87Å; T434-R436 PolarHBondContact O-N 2.82Å; T434-R436 WeakPolarHBondContact OG1-CB 3.47Å; T434-R436 WeakPolarHBondContact OG1-CG 3.24Å; T434-R436 PolarHBondContact OG1-N 2.74Å
435	G	94.3	Very high	94.3	Very high	52 Å²	52	47 Å²	47	54%	0.536	24%	0.241	S	C	.	.			trans	71.2	7.8	-172.6	0	0	0	0	0	114.3	E431	E431-G435 WeakPolarHBondContact O-CA 3.47Å; E431-G435 PolarHBondContact O-N 2.69Å
436	R	93.8	Very high	94.1	Very high	168 Å²	168	49.2 Å²	49.2	63%	0.634	26%	0.263	S	S	*	.			trans	-76.9	137.3	-177.6	-68.2	176.3	-179	-159.4	-0.9	111.9	V430 E431 T434 F438	V430-R436 CarbonylContact C-O 3.51Å; V430-R436 WeakPolarHBondContact CA-O 3.03Å; E431-R436 PolarHBondContact N-O 3.3Å; T434-R436 PolarHBondContact O-N 2.82Å; T434-R436 WeakPolarHBondContact OG1-CB 3.47Å; T434-R436 WeakPolarHBondContact OG1-CG 3.24Å; T434-R436 PolarHBondContact OG1-N 2.74Å; R436-F438 HydrophobicContact CB-CD2 4.43Å; R436-F438 HydrophobicContact CB-CE2 3.59Å; R436-F438 HydrophobicContact CB-CZ 3.82Å; R436-F438 WeakPolarHBondContact O-CD2 3.36Å
437	E	94.3	Very high	93.7	Very high	95 Å²	95	54.2 Å²	54.2	44%	0.444	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.6	179.1	-53.9	178	115.5	0	0	111.5	C429 V430 L489 K491	C429-E437 WeakPolarHBondContact O-CA 3.34Å; V430-E437 HydrophobicContact CG2-CG 4.4Å; E437-L489 HydrophobicContact CB-CD2 4.36Å; E437-K491 IonicContact OE1-NZ 2.77Å; E437-K491 PolarHBondContact OE1-NZ 2.84Å; E437-K491 WeakPolarHBondContact OE2-CE 3.42Å; E437-K491 IonicContact OE2-NZ 2.69Å; E437-K491 PolarHBondContact OE2-NZ 3.45Å
438	F	95.5	Very high	93.1	Very high	21 Å²	21	51.5 Å²	51.5	9%	0.092	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	168.6	-178.4	-62.4	-74	0	0	0	110.6	Y412 C429 E431 R436 I474 V486	Y412-F438 HydrophobicContact CD1-CD2 4.42Å; Y412-F438 AromaticContact CE1-CD2 3.88Å; Y412-F438 HydrophobicContact CE1-CD2 3.88Å; Y412-F438 HydrophobicContact CE1-CE2 4.26Å; C429-F438 PolarHBondContact N-O 2.97Å; C429-F438 PolarHBondContact O-N 2.89Å; E431-F438 HydrophobicContact CB-CD2 4.24Å; E431-F438 HydrophobicContact CB-CE2 3.81Å; R436-F438 HydrophobicContact CB-CD2 4.43Å; R436-F438 HydrophobicContact CB-CE2 3.59Å; R436-F438 HydrophobicContact CB-CZ 3.82Å; R436-F438 WeakPolarHBondContact O-CD2 3.36Å; F438-I474 HydrophobicContact CD1-CD1 4.46Å; F438-I474 HydrophobicContact CD1-CG1 3.78Å; F438-I474 HydrophobicContact CE1-CD1 4.01Å; F438-I474 HydrophobicContact CE1-CG1 3.74Å; F438-I474 HydrophobicContact CE1-CG2 4.16Å; F438-I474 HydrophobicContact CZ-CG2 4.33Å; F438-V486 HydrophobicContact CB-CG1 3.73Å; F438-V486 HydrophobicContact CG-CG1 4.04Å
439	A	95.4	Very high	92.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.3	173.7	0	0	0	0	0	109.9	V426 M487 L489 I707	V426-A439 HydrophobicContact CG1-CB 4.02Å; A439-M487 PolarHBondContact N-O 3.27Å; A439-M487 PolarHBondContact O-N 3.03Å; A439-L489 HydrophobicContact CB-CB 4.32Å; A439-L489 HydrophobicContact CB-CD1 4.26Å; A439-I707 HydrophobicContact CB-CD1 3.56Å; A439-I707 HydrophobicContact CB-CG2 4.11Å
440	L	95.7	Very high	91.9	Very high	3 Å²	3	57 Å²	57	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	102.3	174	172.1	52.6	0	0	0	109.7	I408 V414 V426 K427 C429 I442 C484 V486	I408-L440 HydrophobicContact CD1-CD1 3.59Å; I408-L440 HydrophobicContact CD1-CD2 4.01Å; I408-L440 HydrophobicContact CD1-CG 4.46Å; V414-L440 HydrophobicContact CG1-CD2 4.24Å; V414-L440 HydrophobicContact CG2-CD2 3.7Å; V426-L440 CarbonylContact C-O 3.55Å; V426-L440 WeakPolarHBondContact CA-O 3.47Å; K427-L440 PolarHBondContact N-O 2.85Å; K427-L440 PolarHBondContact O-N 2.92Å; C429-L440 HydrophobicContact CB-CB 4.2Å; L440-I442 HydrophobicContact CD1-CG1 4.08Å; L440-I442 HydrophobicContact CD2-CD1 4.17Å; L440-I442 HydrophobicContact CD2-CG1 4.31Å; L440-I442 HydrophobicContact CG-CD1 4.16Å; L440-I442 HydrophobicContact CG-CG1 3.78Å; L440-C484 HydrophobicContact CD1-CB 3.88Å; L440-V486 HydrophobicContact CD1-CG2 4.31Å
441	K	94.8	Very high	91.1	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.013	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	116.2	171.8	-177.3	-173.5	-169.2	169.6	0	108.8	A424 V426 I443 E458 L485 M487 I707 N709	A424-K441 HydrophobicContact CB-CG 4.21Å; V426-K441 HydrophobicContact CG2-CG 4.5Å; K441-I443 HydrophobicContact CD-CD1 4.35Å; K441-I443 HydrophobicContact CD-CG1 4.47Å; K441-I443 HydrophobicContact CG-CG1 4.2Å; K441-E458 IonicContact NZ-OE1 2.75Å; K441-E458 PolarHBondContact NZ-OE1 3.22Å; K441-L485 HydrophobicContact CB-CB 4.32Å; K441-L485 HydrophobicContact CD-CD1 4.31Å; K441-L485 PolarHBondContact N-O 3.49Å; K441-L485 PolarHBondContact O-N 3.04Å; K441-M487 HydrophobicContact CB-SD 4.48Å; K441-M487 HydrophobicContact CD-SD 4.12Å; K441-I707 HydrophobicContact CB-CG2 4.14Å; K441-I707 WeakPolarHBondContact CD-O 3.47Å; K441-I707 WeakPolarHBondContact CE-O 3.33Å; K441-I707 PolarHBondContact NZ-O 2.91Å; K441-N709 PolarHBondContact NZ-O 3.15Å
442	I	93.9	Very high	90.5	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.087	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	108.8	-179.9	-51.6	179.2	0	0	0	108.1	A424 V425 K427 L440 E482	A424-I442 CarbonylContact C-O 3.49Å; A424-I442 VanDerWaalsContact CA-O 3.24Å; A424-I442 WeakPolarHBondContact CA-O 3.06Å; V425-I442 PolarHBondContact N-O 3.37Å; V425-I442 PolarHBondContact O-N 3.07Å; K427-I442 HydrophobicContact CD-CD1 3.92Å; L440-I442 HydrophobicContact CD1-CG1 4.08Å; L440-I442 HydrophobicContact CD2-CD1 4.17Å; L440-I442 HydrophobicContact CD2-CG1 4.31Å; L440-I442 HydrophobicContact CG-CD1 4.16Å; L440-I442 HydrophobicContact CG-CG1 3.78Å; I442-E482 HydrophobicContact CG2-CB 4.14Å; I442-E482 HydrophobicContact CG2-CG 4.36Å
443	I	92.7	Very high	89.8	Confident	2 Å²	2	59 Å²	59	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.3	-180	-56	172.7	0	0	0	108.4	A424 K441 K445 C448 I455 E482 L483 L485 T710	A424-I443 HydrophobicContact CB-CG1 3.91Å; K441-I443 HydrophobicContact CD-CD1 4.35Å; K441-I443 HydrophobicContact CD-CG1 4.47Å; K441-I443 HydrophobicContact CG-CG1 4.2Å; I443-K445 PolarHBondContact O-N 2.89Å; I443-C448 VanDerWaalsContact CG2-SG 3.58Å; I443-I455 HydrophobicContact CD1-CG2 3.98Å; I443-I455 HydrophobicContact CG2-CD1 4.49Å; I443-E482 WeakPolarHBondContact O-CA 3.4Å; I443-L483 HydrophobicContact CB-CB 4.33Å; I443-L483 HydrophobicContact CD1-CD2 4.11Å; I443-L483 PolarHBondContact N-O 3.49Å; I443-L483 PolarHBondContact O-N 3.44Å; I443-L485 HydrophobicContact CD1-CD1 3.99Å; I443-T710 HydrophobicContact CD1-CG2 4.38Å; I443-T710 HydrophobicContact CG1-CG2 4.4Å
444	N	90.8	Very high	89	Confident	49 Å²	49	56.8 Å²	56.8	26%	0.262	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.8	-179.2	-175.2	-76.5	0	0	0	110.6	F423 A446 K447 C448	F423-N444 PolarHBondContact O-N 3.48Å; N444-A446 VanDerWaalsContact C-N 3.3Å; N444-A446 PolarHBondContact O-N 3.15Å; N444-A446 WeakPolarHBondContact OD1-CB 3.28Å; N444-A446 PolarHBondContact OD1-N 3.09Å; N444-K447 HydrophobicContact CB-CB 4.42Å; N444-K447 HydrophobicContact CB-CD 4.2Å; N444-K447 HydrophobicContact CB-CG 4.1Å; N444-K447 WeakPolarHBondContact O-CB 3.4Å; N444-K447 PolarHBondContact O-N 2.84Å; N444-K447 VanDerWaalsContact O-N 3.14Å; N444-K447 PolarHBondContact OD1-N 2.89Å; N444-C448 PolarHBondContact O-N 3.19Å; N444-C448 PolarHBondContact O-SG 3.39Å
445	K	89.7	Confident	88.5	Confident	66 Å²	66	53.9 Å²	53.9	29%	0.287	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63.2	-34.3	-174.1	-69.8	-175.8	169.6	179.6	0	113.1	I443 K447 C448 S449 D478 T479 S481	I443-K445 PolarHBondContact O-N 2.89Å; K445-K447 VanDerWaalsContact C-N 3.3Å; K445-K447 PolarHBondContact O-N 2.89Å; K445-C448 WeakPolarHBondContact O-CB 3.39Å; K445-C448 PolarHBondContact O-N 3.36Å; K445-S449 PolarHBondContact O-N 2.97Å; K445-D478 WeakPolarHBondContact CE-OD1 3Å; K445-D478 IonicContact NZ-OD1 3.57Å; K445-D478 PolarHBondContact NZ-OD1 3.35Å; K445-D478 IonicContact NZ-OD2 3.5Å; K445-D478 PolarHBondContact NZ-OD2 2.91Å; K445-T479 WeakPolarHBondContact CD-O 3.35Å; K445-T479 VanDerWaalsContact CE-O 3.28Å; K445-T479 WeakPolarHBondContact CE-O 3.39Å; K445-T479 PolarHBondContact NZ-O 3.31Å; K445-S481 WeakPolarHBondContact CB-O 3.3Å; K445-S481 PolarHBondContact N-O 2.69Å
446	A	88.8	Confident	88.1	Confident	83 Å²	83	57.3 Å²	57.3	69%	0.686	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.6	-31.5	178.2	0	0	0	0	0	112.6	N444 C448	N444-A446 VanDerWaalsContact C-N 3.3Å; N444-A446 PolarHBondContact O-N 3.15Å; N444-A446 WeakPolarHBondContact OD1-CB 3.28Å; N444-A446 PolarHBondContact OD1-N 3.09Å; A446-C448 VanDerWaalsContact C-N 3.26Å; A446-C448 PolarHBondContact O-N 2.85Å
447	K	85.8	Confident	87.7	Confident	105 Å²	105	51.9 Å²	51.9	46%	0.457	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-69.8	-21.6	170.2	-66.2	-172.2	176.2	-177.8	0	113.4	N422 F423 N444 K445	N422-K447 WeakPolarHBondContact O-CD 3.42Å; N422-K447 WeakPolarHBondContact O-CE 3.21Å; N422-K447 PolarHBondContact O-NZ 3.4Å; F423-K447 HydrophobicContact CD1-CB 4.09Å; N444-K447 HydrophobicContact CB-CB 4.42Å; N444-K447 HydrophobicContact CB-CD 4.2Å; N444-K447 HydrophobicContact CB-CG 4.1Å; N444-K447 WeakPolarHBondContact O-CB 3.4Å; N444-K447 PolarHBondContact O-N 2.84Å; N444-K447 VanDerWaalsContact O-N 3.14Å; N444-K447 PolarHBondContact OD1-N 2.89Å; K445-K447 VanDerWaalsContact C-N 3.3Å; K445-K447 PolarHBondContact O-N 2.89Å
448	C	82.4	Confident	87.3	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.041	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-96.4	3.2	-173.2	-57	0	0	0	0	113.8	I443 N444 K445 A446 K451 E452 L712	I443-C448 VanDerWaalsContact CG2-SG 3.58Å; N444-C448 PolarHBondContact O-N 3.19Å; N444-C448 PolarHBondContact O-SG 3.39Å; K445-C448 WeakPolarHBondContact O-CB 3.39Å; K445-C448 PolarHBondContact O-N 3.36Å; A446-C448 VanDerWaalsContact C-N 3.26Å; A446-C448 PolarHBondContact O-N 2.85Å; C448-K451 CarbonylContact O-C 3.58Å; C448-K451 WeakPolarHBondContact O-CA 3.35Å; C448-K451 PolarHBondContact O-N 2.92Å; C448-E452 PolarHBondContact O-N 2.9Å; C448-L712 HydrophobicContact CB-CD1 3.83Å; C448-L712 VanDerWaalsContact SG-CD1 3.51Å
449	S	82.8	Confident	87	Confident	88 Å²	88	46.7 Å²	46.7	62%	0.615	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	138.7	-164.4	-164.4	0	0	0	0	114.1	K445 E452	K445-S449 PolarHBondContact O-N 2.97Å; S449-E452 WeakPolarHBondContact CA-OE1 3.46Å; S449-E452 PolarHBondContact OG-OE1 2.83Å
450	G	80.6	Confident	86.8	Confident	58 Å²	58	48.8 Å²	48.8	60%	0.598	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-3	-168.1	0	0	0	0	0	114.4	E452	G450-E452 VanDerWaalsContact C-OE2 3.23Å; G450-E452 VanDerWaalsContact CA-OE2 3.23Å; G450-E452 WeakPolarHBondContact CA-OE2 3.27Å; G450-E452 PolarHBondContact N-OE1 3.18Å; G450-E452 PolarHBondContact N-OE2 3.25Å
451	K	80.6	Confident	86.7	Confident	70 Å²	70	48.7 Å²	48.7	30%	0.304	28%	0.277	S	S	.	.			trans	-133.1	15.6	-179.5	-62.8	-178.4	171.7	176.7	0	113	C448 H453 L454 L712 E715	C448-K451 CarbonylContact O-C 3.58Å; C448-K451 WeakPolarHBondContact O-CA 3.35Å; C448-K451 PolarHBondContact O-N 2.92Å; K451-H453 PolarHBondContact O-N 3.03Å; K451-L454 HydrophobicContact CB-CD1 4.42Å; K451-L454 WeakPolarHBondContact O-CB 3.48Å; K451-L454 PolarHBondContact O-N 3.06Å; K451-L712 HydrophobicContact CB-CD2 3.48Å; K451-L712 VanDerWaalsContact CB-CD2 3.48Å; K451-L712 HydrophobicContact CD-CD2 4.05Å; K451-L712 HydrophobicContact CG-CD2 4.38Å; K451-E715 WeakPolarHBondContact CE-OE1 3.47Å; K451-E715 IonicContact NZ-OE1 3.6Å; K451-E715 PolarHBondContact NZ-OE1 3.13Å; K451-E715 IonicContact NZ-OE2 3.27Å; K451-E715 PolarHBondContact NZ-OE2 3.27Å
452	E	83.2	Confident	86.5	Confident	76 Å²	76	48.8 Å²	48.8	36%	0.355	28%	0.277	S	S	.	.	H	α-helix	trans	-52.9	-42.1	-175.6	-59.3	85.9	168.9	0	0	111.7	C448 S449 G450 L454 I455 E456	C448-E452 PolarHBondContact O-N 2.9Å; S449-E452 WeakPolarHBondContact CA-OE1 3.46Å; S449-E452 PolarHBondContact OG-OE1 2.83Å; G450-E452 VanDerWaalsContact C-OE2 3.23Å; G450-E452 VanDerWaalsContact CA-OE2 3.23Å; G450-E452 WeakPolarHBondContact CA-OE2 3.27Å; G450-E452 PolarHBondContact N-OE1 3.18Å; G450-E452 PolarHBondContact N-OE2 3.25Å; E452-L454 PolarHBondContact O-N 2.73Å; E452-I455 PolarHBondContact O-N 2.92Å; E452-E456 WeakPolarHBondContact O-CG 3.23Å; E452-E456 PolarHBondContact O-N 3Å
453	H	79.4	Confident	86.5	Confident	110 Å²	110	54.9 Å²	54.9	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-54.7	-25.4	178.5	69.1	-84.1	0	0	0	115.4	K451 N457	K451-H453 PolarHBondContact O-N 3.03Å; H453-N457 WeakPolarHBondContact O-CB 3.17Å; H453-N457 PolarHBondContact O-N 3.11Å; H453-N457 VanDerWaalsContact O-N 3.13Å
454	L	79.3	Confident	86.5	Confident	49 Å²	49	61.9 Å²	61.9	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-74.1	-40.8	176.4	-65.5	176.7	0	0	0	111.3	K451 E452 N457 E458 A711 L712	K451-L454 HydrophobicContact CB-CD1 4.42Å; K451-L454 WeakPolarHBondContact O-CB 3.48Å; K451-L454 PolarHBondContact O-N 3.06Å; E452-L454 PolarHBondContact O-N 2.73Å; L454-N457 PolarHBondContact O-N 3.27Å; L454-E458 PolarHBondContact O-N 3.25Å; L454-A711 HydrophobicContact CB-CB 3.99Å; L454-A711 WeakPolarHBondContact O-CB 3.29Å; L454-L712 HydrophobicContact CB-CD2 4.01Å; L454-L712 HydrophobicContact CD1-CD2 3.79Å; L454-L712 HydrophobicContact CG-CD2 4.47Å
455	I	84.9	Confident	86.6	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-69.2	-42	173.7	-57.6	-59.1	0	0	0	110.2	I443 E452 N457 E458 V459 L483 T710 L712	I443-I455 HydrophobicContact CD1-CG2 3.98Å; I443-I455 HydrophobicContact CG2-CD1 4.49Å; E452-I455 PolarHBondContact O-N 2.92Å; I455-N457 VanDerWaalsContact C-N 3.27Å; I455-N457 PolarHBondContact O-N 3.25Å; I455-E458 PolarHBondContact O-N 2.92Å; I455-V459 HydrophobicContact CG2-CG2 4.27Å; I455-V459 WeakPolarHBondContact O-CB 3.26Å; I455-V459 VanDerWaalsContact O-CG2 3.27Å; I455-V459 WeakPolarHBondContact O-CG2 3.43Å; I455-V459 PolarHBondContact O-N 3.09Å; I455-L483 HydrophobicContact CG2-CD2 3.59Å; I455-T710 HydrophobicContact CD1-CG2 4.32Å; I455-L712 HydrophobicContact CD1-CD1 4.05Å; I455-L712 HydrophobicContact CD1-CG 3.86Å; I455-L712 HydrophobicContact CG1-CD1 4.16Å; I455-L712 HydrophobicContact CG1-CG 4.23Å
456	E	86.1	Confident	86.9	Confident	124 Å²	124	63.5 Å²	63.5	58%	0.579	33%	0.33	S	S	*	.	H	α-helix	trans	-57.4	-38.6	175.5	-68.8	172.6	-179.4	0	0	112.3	E452 A460	E452-E456 WeakPolarHBondContact O-CG 3.23Å; E452-E456 PolarHBondContact O-N 3Å; E456-A460 WeakPolarHBondContact O-CB 3.34Å; E456-A460 PolarHBondContact O-N 3.37Å
457	N	84.3	Confident	87.3	Confident	54 Å²	54	61 Å²	61	29%	0.289	31%	0.305	S	S	.	.	H	α-helix	trans	-68.7	-44.8	174.6	171.1	90.2	0	0	0	112.7	H453 L454 I455 V459 A460 V461 A559	H453-N457 WeakPolarHBondContact O-CB 3.17Å; H453-N457 PolarHBondContact O-N 3.11Å; H453-N457 VanDerWaalsContact O-N 3.13Å; L454-N457 PolarHBondContact O-N 3.27Å; I455-N457 VanDerWaalsContact C-N 3.27Å; I455-N457 PolarHBondContact O-N 3.25Å; N457-V459 VanDerWaalsContact C-N 3.31Å; N457-V459 PolarHBondContact O-N 3.41Å; N457-A460 PolarHBondContact O-N 3.34Å; N457-V461 WeakPolarHBondContact O-CG2 3.06Å; N457-V461 PolarHBondContact O-N 3.09Å; N457-A559 PolarHBondContact ND2-O 3.5Å
458	E	87.7	Confident	87.7	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-54.9	-48.8	174.7	-176.1	-174.6	144.1	0	0	110.4	K441 L454 I455 V461 L462 T710 A711	K441-E458 IonicContact NZ-OE1 2.75Å; K441-E458 PolarHBondContact NZ-OE1 3.22Å; L454-E458 PolarHBondContact O-N 3.25Å; I455-E458 PolarHBondContact O-N 2.92Å; E458-V461 PolarHBondContact O-N 3.18Å; E458-L462 HydrophobicContact CG-CD1 4.14Å; E458-L462 WeakPolarHBondContact O-CG 3.43Å; E458-L462 PolarHBondContact O-N 2.92Å; E458-T710 WeakPolarHBondContact OE2-CA 3.45Å; E458-A711 HydrophobicContact CB-CB 4.41Å; E458-A711 PolarHBondContact OE2-N 2.89Å
459	V	89.4	Confident	88.4	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.024	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-45.2	177.7	172.6	0	0	0	0	112.1	I455 N457 V461 L462 R463 E476 L483 L485	I455-V459 HydrophobicContact CG2-CG2 4.27Å; I455-V459 WeakPolarHBondContact O-CB 3.26Å; I455-V459 VanDerWaalsContact O-CG2 3.27Å; I455-V459 WeakPolarHBondContact O-CG2 3.43Å; I455-V459 PolarHBondContact O-N 3.09Å; N457-V459 VanDerWaalsContact C-N 3.31Å; N457-V459 PolarHBondContact O-N 3.41Å; V459-V461 PolarHBondContact O-N 2.76Å; V459-L462 PolarHBondContact O-N 3.4Å; V459-R463 HydrophobicContact CG1-CG 4.2Å; V459-R463 WeakPolarHBondContact O-CB 3.47Å; V459-R463 VanDerWaalsContact O-CG 3.29Å; V459-R463 WeakPolarHBondContact O-CG 3.4Å; V459-R463 PolarHBondContact O-N 2.97Å; V459-E476 WeakPolarHBondContact CG1-OE1 3.38Å; V459-E476 WeakPolarHBondContact CG1-OE2 3.3Å; V459-L483 HydrophobicContact CG2-CD2 3.72Å; V459-L485 HydrophobicContact CG2-CD1 4.14Å; V459-L485 HydrophobicContact CG2-CD2 4.29Å
460	A	90.6	Very high	89	Confident	43 Å²	43	56.4 Å²	56.4	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-31.8	179.4	0	0	0	0	0	112.6	E456 N457 R464	E456-A460 WeakPolarHBondContact O-CB 3.34Å; E456-A460 PolarHBondContact O-N 3.37Å; N457-A460 PolarHBondContact O-N 3.34Å; A460-R464 WeakPolarHBondContact O-CD 3.41Å; A460-R464 VanDerWaalsContact O-CG 3.27Å; A460-R464 WeakPolarHBondContact O-CG 3.01Å
461	V	92.4	Very high	89.7	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-54.7	169	167	0	0	0	0	110.5	N457 E458 V459 R463 R464 V465 I529 F556 A559	N457-V461 WeakPolarHBondContact O-CG2 3.06Å; N457-V461 PolarHBondContact O-N 3.09Å; E458-V461 PolarHBondContact O-N 3.18Å; V459-V461 PolarHBondContact O-N 2.76Å; V461-R463 VanDerWaalsContact C-N 3.33Å; V461-R463 PolarHBondContact O-N 3.24Å; V461-R464 WeakPolarHBondContact O-CB 3.34Å; V461-R464 PolarHBondContact O-N 3.42Å; V461-V465 HydrophobicContact CG1-CG2 4.13Å; V461-V465 WeakPolarHBondContact O-CG2 3.44Å; V461-V465 PolarHBondContact O-N 3.21Å; V461-I529 HydrophobicContact CG1-CD1 4.21Å; V461-I529 HydrophobicContact CG1-CG2 4.16Å; V461-F556 HydrophobicContact CG1-CB 4.27Å; V461-F556 HydrophobicContact CG1-CD1 3.54Å; V461-F556 HydrophobicContact CG1-CE1 4.29Å; V461-F556 HydrophobicContact CG1-CG 4.19Å; V461-A559 HydrophobicContact CG1-CB 4.04Å; V461-A559 HydrophobicContact CG2-CB 4.48Å
462	L	91.9	Very high	90.3	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-41	-176.8	-74.3	171.6	0	0	0	113.4	E458 V459 R464 V465 L473 M487 F556	E458-L462 HydrophobicContact CG-CD1 4.14Å; E458-L462 WeakPolarHBondContact O-CG 3.43Å; E458-L462 PolarHBondContact O-N 2.92Å; V459-L462 PolarHBondContact O-N 3.4Å; L462-R464 PolarHBondContact O-N 3.17Å; L462-R464 VanDerWaalsContact O-N 3.14Å; L462-V465 PolarHBondContact O-N 3.24Å; L462-L473 HydrophobicContact CB-CB 4.13Å; L462-L473 HydrophobicContact CB-CD2 3.97Å; L462-M487 HydrophobicContact CD1-CE 4.24Å; L462-M487 HydrophobicContact CD2-CE 4.31Å; L462-F556 HydrophobicContact CD2-CB 4.18Å; L462-F556 HydrophobicContact CD2-CD2 3.65Å; L462-F556 HydrophobicContact CD2-CE2 4.35Å; L462-F556 HydrophobicContact CD2-CG 4.01Å; L462-F556 HydrophobicContact CG-CB 4.35Å
463	R	92.7	Very high	90.9	Very high	144 Å²	144	50.6 Å²	50.6	54%	0.543	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28	175.1	-74	171.7	-180	165	3	113.8	V459 V461 L473 E476	V459-R463 HydrophobicContact CG1-CG 4.2Å; V459-R463 WeakPolarHBondContact O-CB 3.47Å; V459-R463 VanDerWaalsContact O-CG 3.29Å; V459-R463 WeakPolarHBondContact O-CG 3.4Å; V459-R463 PolarHBondContact O-N 2.97Å; V461-R463 VanDerWaalsContact C-N 3.33Å; V461-R463 PolarHBondContact O-N 3.24Å; R463-L473 HydrophobicContact CG-CD2 4.15Å; R463-E476 IonicContact CZ-OE1 2.72Å; R463-E476 IonicContact CZ-OE2 3.24Å; R463-E476 IonicContact NE-OE1 3.38Å; R463-E476 IonicContact NE-OE2 1.93Å; R463-E476 PolarHBondContact NE-OE2 2.91Å; R463-E476 VanDerWaalsContact NH2-CD 3.29Å; R463-E476 IonicContact NH2-OE1 3.27Å; R463-E476 PolarHBondContact NH2-OE1 2.88Å; R463-E476 IonicContact NH2-OE2 3.14Å; R463-E476 PolarHBondContact NH2-OE2 2.83Å
464	R	92.4	Very high	91.6	Very high	149 Å²	149	48.5 Å²	48.5	56%	0.562	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-19.4	-175.1	-63.2	167.2	68.1	88.3	-3.5	113.2	A460 V461 L462 Y523	A460-R464 WeakPolarHBondContact O-CD 3.41Å; A460-R464 VanDerWaalsContact O-CG 3.27Å; A460-R464 WeakPolarHBondContact O-CG 3.01Å; V461-R464 WeakPolarHBondContact O-CB 3.34Å; V461-R464 PolarHBondContact O-N 3.42Å; L462-R464 PolarHBondContact O-N 3.17Å; L462-R464 VanDerWaalsContact O-N 3.14Å; R464-Y523 PolarHBondContact O-OH 3.5Å
465	V	94.8	Very high	92.3	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	23%	0.234	C	C	.	.			trans	-99.9	116.1	-165.9	169.1	0	0	0	0	110.9	V461 L462 I470 Y523 L524 I527 I529 F556	V461-V465 HydrophobicContact CG1-CG2 4.13Å; V461-V465 WeakPolarHBondContact O-CG2 3.44Å; V461-V465 PolarHBondContact O-N 3.21Å; L462-V465 PolarHBondContact O-N 3.24Å; V465-I470 HydrophobicContact CG1-CB 4.35Å; V465-I470 HydrophobicContact CG1-CD1 3.67Å; V465-I470 HydrophobicContact CG1-CG2 3.67Å; V465-Y523 HydrophobicContact CB-CE1 4.41Å; V465-Y523 HydrophobicContact CG1-CE1 4.06Å; V465-L524 HydrophobicContact CB-CD2 4.49Å; V465-L524 HydrophobicContact CG1-CD2 3.95Å; V465-L524 HydrophobicContact CG2-CD2 3.63Å; V465-I527 HydrophobicContact CG2-CD1 4.23Å; V465-I529 HydrophobicContact CG2-CD1 3.87Å; V465-F556 HydrophobicContact CG1-CE1 4.42Å; V465-F556 HydrophobicContact CG1-CZ 4.18Å
466	K	95	Very high	92.7	Very high	145 Å²	145	50.6 Å²	50.6	63%	0.63	24%	0.242	S	C	*	.			trans	-141.1	102.4	179.9	-61.2	-171	-179.6	-170.9	0	110.3	Y523	K466-Y523 PolarHBondContact N-OH 2.91Å; K466-Y523 WeakPolarHBondContact O-CE2 3.31Å; K466-Y523 PolarHBondContact O-OH 3.25Å
467	H	96.4	Very high	93	Very high	32 Å²	32	45.7 Å²	45.7	15%	0.148	22%	0.221	C	C	.	.			trans	-154	140.6	-176.6	-173.9	-97.4	0	0	0	109.8	N469 I470 Y523	H467-N469 VanDerWaalsContact C-N 3.28Å; H467-N469 PolarHBondContact ND1-N 2.74Å; H467-N469 PolarHBondContact O-N 2.79Å; H467-I470 HydrophobicContact CB-CB 4.28Å; H467-I470 HydrophobicContact CB-CD1 3.86Å; H467-I470 HydrophobicContact CB-CG1 4Å; H467-I470 PolarHBondContact O-N 3.36Å; H467-Y523 HydrophobicContact CB-CD1 3.82Å; H467-Y523 HydrophobicContact CB-CD2 4.28Å; H467-Y523 HydrophobicContact CB-CE1 4.16Å; H467-Y523 HydrophobicContact CB-CG 3.88Å; H467-Y523 AromaticContact CD2-CD2 3.92Å; H467-Y523 AromaticContact CD2-CG 3.75Å; H467-Y523 AromaticContact CG-CG 3.95Å
468	P	94.9	Very high	93.4	Very high	87 Å²	87	47.2 Å²	47.2	57%	0.565	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.6	-176.4	21.9	-34.5	0	0	0	113.8	I470 K552	P468-I470 PolarHBondContact O-N 3.08Å; P468-K552 PolarHBondContact O-NZ 2.65Å
469	N	96.6	Very high	93.5	Very high	15 Å²	15	48 Å²	48	8%	0.08	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	25.1	177.5	-57.1	113.6	0	0	0	114.1	H467 N516 A520 L551 K552 L553	H467-N469 VanDerWaalsContact C-N 3.28Å; H467-N469 PolarHBondContact ND1-N 2.74Å; H467-N469 PolarHBondContact O-N 2.79Å; N469-N516 HydrophobicContact CB-CB 4.31Å; N469-N516 WeakPolarHBondContact CB-O 3.49Å; N469-N516 WeakPolarHBondContact ND2-CB 3.2Å; N469-N516 VanDerWaalsContact ND2-CG 3.28Å; N469-N516 PolarHBondContact ND2-ND2 2.84Å; N469-A520 HydrophobicContact CB-CB 4.12Å; N469-L551 VanDerWaalsContact CA-O 3.26Å; N469-L551 WeakPolarHBondContact CA-O 3.39Å; N469-L551 VanDerWaalsContact CB-O 3.24Å; N469-L551 WeakPolarHBondContact CB-O 3.4Å; N469-L551 PolarHBondContact ND2-O 3.42Å; N469-K552 WeakPolarHBondContact O-CA 2.94Å; N469-L553 PolarHBondContact O-N 3.39Å
470	I	96.8	Very high	93.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-134.2	141.6	175.1	-60.6	-179	0	0	0	108.7	V465 H467 P468 M472 A520 Y523 L524 L553 F556	V465-I470 HydrophobicContact CG1-CB 4.35Å; V465-I470 HydrophobicContact CG1-CD1 3.67Å; V465-I470 HydrophobicContact CG1-CG2 3.67Å; H467-I470 HydrophobicContact CB-CB 4.28Å; H467-I470 HydrophobicContact CB-CD1 3.86Å; H467-I470 HydrophobicContact CB-CG1 4Å; H467-I470 PolarHBondContact O-N 3.36Å; P468-I470 PolarHBondContact O-N 3.08Å; I470-M472 PolarHBondContact O-N 3.31Å; I470-A520 HydrophobicContact CD1-CB 4.15Å; I470-A520 HydrophobicContact CG1-CB 3.78Å; I470-Y523 HydrophobicContact CD1-CD1 3.97Å; I470-L524 HydrophobicContact CD1-CD1 4.17Å; I470-L524 HydrophobicContact CD1-CD2 3.95Å; I470-L524 HydrophobicContact CD1-CG 3.87Å; I470-L553 CarbonylContact C-O 3.56Å; I470-L553 WeakPolarHBondContact CA-O 3.26Å; I470-L553 HydrophobicContact CG1-CB 4.47Å; I470-L553 WeakPolarHBondContact CG2-O 3.36Å; I470-F556 HydrophobicContact CD1-CZ 4.39Å; I470-F556 HydrophobicContact CG2-CE2 3.55Å; I470-F556 HydrophobicContact CG2-CZ 3.47Å; I470-F556 VanDerWaalsContact CG2-CZ 3.47Å
471	I	94.5	Very high	93.4	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	27%	0.273	C	S	.	.			trans	-66	113.1	172.1	-57.5	-179.6	0	0	0	108.6	M487 E488 V490 L540 K552 L553 V706	I471-M487 HydrophobicContact CG2-CE 4.27Å; I471-E488 HydrophobicContact CG2-CB 4.11Å; I471-E488 WeakPolarHBondContact CG2-O 3.3Å; I471-V490 HydrophobicContact CG1-CG2 4.32Å; I471-L540 HydrophobicContact CD1-CD1 3.6Å; I471-L540 HydrophobicContact CD1-CG 4.22Å; I471-K552 HydrophobicContact CG1-CB 4.11Å; I471-L553 PolarHBondContact N-O 2.89Å; I471-V706 HydrophobicContact CD1-CB 4.5Å; I471-V706 HydrophobicContact CD1-CG1 3.77Å
472	M	93.9	Very high	93.4	Very high	58 Å²	58	57.8 Å²	57.8	29%	0.286	29%	0.289	S	S	.	.			trans	-82.4	141.7	-174.7	-63.5	-175.4	-66.9	0	0	113	I470 I474 M487 E488	I470-M472 PolarHBondContact O-N 3.31Å; M472-I474 HydrophobicContact CB-CD1 4.03Å; M472-M487 WeakPolarHBondContact O-CA 3.4Å; M472-E488 PolarHBondContact N-OE2 2.72Å; M472-E488 PolarHBondContact O-N 3.48Å
473	L	95.3	Very high	93.4	Very high	21 Å²	21	58 Å²	58	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.6	157.8	-179.9	66.3	0	0	0	108.4	L462 R463 E475 L485 M487	L462-L473 HydrophobicContact CB-CB 4.13Å; L462-L473 HydrophobicContact CB-CD2 3.97Å; R463-L473 HydrophobicContact CG-CD2 4.15Å; L473-E475 WeakPolarHBondContact CD1-O 3.48Å; L473-L485 HydrophobicContact CD1-CB 3.88Å; L473-L485 HydrophobicContact CD1-CD2 3.83Å; L473-L485 HydrophobicContact CD1-CG 4.39Å; L473-L485 HydrophobicContact CD2-CD2 4.46Å; L473-M487 HydrophobicContact CD1-CG 4.24Å
474	I	94.7	Very high	93.5	Very high	65 Å²	65	51.7 Å²	51.7	33%	0.333	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-48.1	-176.2	-51	-59.8	0	0	0	110.2	F438 M472 V486	F438-I474 HydrophobicContact CD1-CD1 4.46Å; F438-I474 HydrophobicContact CD1-CG1 3.78Å; F438-I474 HydrophobicContact CE1-CD1 4.01Å; F438-I474 HydrophobicContact CE1-CG1 3.74Å; F438-I474 HydrophobicContact CE1-CG2 4.16Å; F438-I474 HydrophobicContact CZ-CG2 4.33Å; M472-I474 HydrophobicContact CB-CD1 4.03Å; I474-V486 WeakPolarHBondContact CA-O 3.38Å; I474-V486 HydrophobicContact CB-CB 4.44Å; I474-V486 HydrophobicContact CB-CG1 4.15Å; I474-V486 WeakPolarHBondContact CB-O 3.49Å; I474-V486 PolarHBondContact N-O 3.3Å
475	E	93.4	Very high	93.6	Very high	55 Å²	55	44.6 Å²	44.6	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	154	-178.1	-167.5	163.6	126.5	0	0	110.3	K411 Y412 L473 V486	K411-E475 IonicContact NZ-OE2 2.71Å; K411-E475 PolarHBondContact NZ-OE2 3.03Å; Y412-E475 PolarHBondContact OH-OE2 2.84Å; L473-E475 WeakPolarHBondContact CD1-O 3.48Å; E475-V486 HydrophobicContact CB-CB 4.06Å; E475-V486 HydrophobicContact CB-CG2 4.2Å; E475-V486 PolarHBondContact N-O 3.45Å; E475-V486 PolarHBondContact O-N 2.79Å
476	E	93.6	Very high	93.7	Very high	50 Å²	50	44.4 Å²	44.4	23%	0.234	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.2	178.3	172	179.4	178.7	0	0	108.9	V459 R463 L483 C484 L485	V459-E476 WeakPolarHBondContact CG1-OE1 3.38Å; V459-E476 WeakPolarHBondContact CG1-OE2 3.3Å; R463-E476 IonicContact CZ-OE1 2.72Å; R463-E476 IonicContact CZ-OE2 3.24Å; R463-E476 IonicContact NE-OE1 3.38Å; R463-E476 IonicContact NE-OE2 1.93Å; R463-E476 PolarHBondContact NE-OE2 2.91Å; R463-E476 VanDerWaalsContact NH2-CD 3.29Å; R463-E476 IonicContact NH2-OE1 3.27Å; R463-E476 PolarHBondContact NH2-OE1 2.88Å; R463-E476 IonicContact NH2-OE2 3.14Å; R463-E476 PolarHBondContact NH2-OE2 2.83Å; E476-L483 HydrophobicContact CG-CD1 3.9Å; E476-C484 WeakPolarHBondContact CA-O 3.45Å; E476-L485 HydrophobicContact CB-CD2 4.01Å; E476-L485 HydrophobicContact CG-CD2 3.74Å
477	V	92.4	Very high	93.7	Very high	20 Å²	20	38.1 Å²	38.1	12%	0.121	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	108.4	172.2	-179.7	0	0	0	0	107.6	I408 T479 C484	I408-V477 HydrophobicContact CB-CG2 4.34Å; I408-V477 HydrophobicContact CD1-CG2 4.33Å; V477-T479 HydrophobicContact CG1-CG2 4.11Å; V477-C484 HydrophobicContact CB-CB 4.21Å; V477-C484 PolarHBondContact N-O 3.18Å; V477-C484 WeakPolarHBondContact O-CB 3.47Å; V477-C484 PolarHBondContact O-N 3.46Å
478	D	91.6	Very high	93.6	Very high	87 Å²	87	38.1 Å²	38.1	47%	0.465	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.8	177.1	-167.3	49.6	0	0	0	110.3	K445 L483	K445-D478 WeakPolarHBondContact CE-OD1 3Å; K445-D478 IonicContact NZ-OD1 3.57Å; K445-D478 PolarHBondContact NZ-OD1 3.35Å; K445-D478 IonicContact NZ-OD2 3.5Å; K445-D478 PolarHBondContact NZ-OD2 2.91Å; D478-L483 HydrophobicContact CB-CD1 4.03Å; D478-L483 WeakPolarHBondContact OD1-CD1 3.41Å
479	T	90	Very high	93.4	Very high	19 Å²	19	34.8 Å²	34.8	12%	0.117	19%	0.191	C	C	.	.			trans	-123.3	168.4	-179.1	76.3	0	0	0	0	110.6	K445 V477 S481 E482	K445-T479 WeakPolarHBondContact CD-O 3.35Å; K445-T479 VanDerWaalsContact CE-O 3.28Å; K445-T479 WeakPolarHBondContact CE-O 3.39Å; K445-T479 PolarHBondContact NZ-O 3.31Å; V477-T479 HydrophobicContact CG1-CG2 4.11Å; T479-S481 PolarHBondContact O-N 3.15Å; T479-E482 WeakPolarHBondContact CB-O 3.27Å; T479-E482 PolarHBondContact N-O 3.28Å; T479-E482 PolarHBondContact OG1-N 2.91Å; T479-E482 PolarHBondContact OG1-O 3.16Å
480	P	89.4	Confident	93.1	Very high	109 Å²	109	34.1 Å²	34.1	71%	0.708	19%	0.187	S	C	*	.	S	Bend	trans	-59	-28.6	178.6	-28.4	36.6	0	0	0	115	E404	E404-P480 VanDerWaalsContact OE2-CD 3.3Å; E404-P480 WeakPolarHBondContact OE2-CD 3.05Å
481	S	88.6	Confident	92.6	Very high	72 Å²	72	38.2 Å²	38.2	50%	0.503	21%	0.205	S	C	.	.	S	Bend	trans	-109.1	-30	-175.8	50.9	0	0	0	0	114.8	K445 T479	K445-S481 WeakPolarHBondContact CB-O 3.3Å; K445-S481 PolarHBondContact N-O 2.69Å; T479-S481 PolarHBondContact O-N 3.15Å
482	E	92.2	Very high	91.9	Very high	74 Å²	74	39.7 Å²	39.7	35%	0.346	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.4	-172	-58	-169.3	141	0	0	111.1	I442 I443 T479	I442-E482 HydrophobicContact CG2-CB 4.14Å; I442-E482 HydrophobicContact CG2-CG 4.36Å; I443-E482 WeakPolarHBondContact O-CA 3.4Å; T479-E482 WeakPolarHBondContact CB-O 3.27Å; T479-E482 PolarHBondContact N-O 3.28Å; T479-E482 PolarHBondContact OG1-N 2.91Å; T479-E482 PolarHBondContact OG1-O 3.16Å
483	L	92.6	Very high	91.6	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.4	169.1	166.9	65.8	0	0	0	108.5	I443 I455 V459 E476 D478 L485	I443-L483 HydrophobicContact CB-CB 4.33Å; I443-L483 HydrophobicContact CD1-CD2 4.11Å; I443-L483 PolarHBondContact N-O 3.49Å; I443-L483 PolarHBondContact O-N 3.44Å; I455-L483 HydrophobicContact CG2-CD2 3.59Å; V459-L483 HydrophobicContact CG2-CD2 3.72Å; E476-L483 HydrophobicContact CG-CD1 3.9Å; D478-L483 HydrophobicContact CB-CD1 4.03Å; D478-L483 WeakPolarHBondContact OD1-CD1 3.41Å; L483-L485 HydrophobicContact CD1-CD2 4.04Å; L483-L485 HydrophobicContact CG-CD2 4.29Å; L483-L485 HydrophobicContact CG-CG 4.26Å
484	C	94.4	Very high	91.1	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.1	-178.3	-75.3	0	0	0	0	110.5	I408 L440 E476 V477	I408-C484 HydrophobicContact CD1-CB 3.81Å; L440-C484 HydrophobicContact CD1-CB 3.88Å; E476-C484 WeakPolarHBondContact CA-O 3.45Å; V477-C484 HydrophobicContact CB-CB 4.21Å; V477-C484 PolarHBondContact N-O 3.18Å; V477-C484 WeakPolarHBondContact O-CB 3.47Å; V477-C484 PolarHBondContact O-N 3.46Å
485	L	94.9	Very high	90.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116	178	-58.1	174.1	0	0	0	109.3	K441 I443 V459 L473 E476 L483 M487	K441-L485 HydrophobicContact CB-CB 4.32Å; K441-L485 HydrophobicContact CD-CD1 4.31Å; K441-L485 PolarHBondContact N-O 3.49Å; K441-L485 PolarHBondContact O-N 3.04Å; I443-L485 HydrophobicContact CD1-CD1 3.99Å; V459-L485 HydrophobicContact CG2-CD1 4.14Å; V459-L485 HydrophobicContact CG2-CD2 4.29Å; L473-L485 HydrophobicContact CD1-CB 3.88Å; L473-L485 HydrophobicContact CD1-CD2 3.83Å; L473-L485 HydrophobicContact CD1-CG 4.39Å; L473-L485 HydrophobicContact CD2-CD2 4.46Å; E476-L485 HydrophobicContact CB-CD2 4.01Å; E476-L485 HydrophobicContact CG-CD2 3.74Å; L483-L485 HydrophobicContact CD1-CD2 4.04Å; L483-L485 HydrophobicContact CG-CD2 4.29Å; L483-L485 HydrophobicContact CG-CG 4.26Å; L485-M487 HydrophobicContact CB-CG 4.28Å; L485-M487 HydrophobicContact CB-SD 4.45Å
486	V	95.6	Very high	90.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115	172	-176.2	0	0	0	0	107.9	I408 Y412 F438 L440 I474 E475	I408-V486 HydrophobicContact CD1-CG2 4Å; Y412-V486 HydrophobicContact CD2-CG2 4.5Å; Y412-V486 HydrophobicContact CE1-CG1 3.89Å; Y412-V486 HydrophobicContact CE2-CG2 4.08Å; F438-V486 HydrophobicContact CB-CG1 3.73Å; F438-V486 HydrophobicContact CG-CG1 4.04Å; L440-V486 HydrophobicContact CD1-CG2 4.31Å; I474-V486 WeakPolarHBondContact CA-O 3.38Å; I474-V486 HydrophobicContact CB-CB 4.44Å; I474-V486 HydrophobicContact CB-CG1 4.15Å; I474-V486 WeakPolarHBondContact CB-O 3.49Å; I474-V486 PolarHBondContact N-O 3.3Å; E475-V486 HydrophobicContact CB-CB 4.06Å; E475-V486 HydrophobicContact CB-CG2 4.2Å; E475-V486 PolarHBondContact N-O 3.45Å; E475-V486 PolarHBondContact O-N 2.79Å
487	M	95.7	Very high	89.8	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.059	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.9	-173.5	-58.9	-176.9	71.1	0	0	111.2	A439 K441 L462 I471 M472 L473 L485 L489 I707	A439-M487 PolarHBondContact N-O 3.27Å; A439-M487 PolarHBondContact O-N 3.03Å; K441-M487 HydrophobicContact CB-SD 4.48Å; K441-M487 HydrophobicContact CD-SD 4.12Å; L462-M487 HydrophobicContact CD1-CE 4.24Å; L462-M487 HydrophobicContact CD2-CE 4.31Å; I471-M487 HydrophobicContact CG2-CE 4.27Å; M472-M487 WeakPolarHBondContact O-CA 3.4Å; L473-M487 HydrophobicContact CD1-CG 4.24Å; L485-M487 HydrophobicContact CB-CG 4.28Å; L485-M487 HydrophobicContact CB-SD 4.45Å; M487-L489 PolarHBondContact O-N 3.24Å; M487-I707 HydrophobicContact SD-CG2 3.97Å
488	E	94.1	Very high	89.3	Confident	32 Å²	32	30.1 Å²	30.1	15%	0.15	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.4	173.8	-175.6	175.8	-148.9	0	0	111.7	I471 M472 V490 K552	I471-E488 HydrophobicContact CG2-CB 4.11Å; I471-E488 WeakPolarHBondContact CG2-O 3.3Å; M472-E488 PolarHBondContact N-OE2 2.72Å; M472-E488 PolarHBondContact O-N 3.48Å; E488-V490 HydrophobicContact CG-CG2 4.37Å; E488-K552 WeakPolarHBondContact OE1-CE 3.49Å; E488-K552 IonicContact OE1-NZ 3.36Å; E488-K552 PolarHBondContact OE1-NZ 2.63Å; E488-K552 WeakPolarHBondContact OE2-CE 3.29Å; E488-K552 IonicContact OE2-NZ 2.67Å; E488-K552 PolarHBondContact OE2-NZ 3.28Å
489	L	92.2	Very high	89	Confident	17 Å²	17	26 Å²	26	9%	0.089	15%	0.154	C	C	.	.			trans	-96.1	110.7	-178.9	176.6	59.4	0	0	0	110.8	I418 E437 A439 M487 K491	I418-L489 HydrophobicContact CD1-CD1 4.22Å; E437-L489 HydrophobicContact CB-CD2 4.36Å; A439-L489 HydrophobicContact CB-CB 4.32Å; A439-L489 HydrophobicContact CB-CD1 4.26Å; M487-L489 PolarHBondContact O-N 3.24Å; L489-K491 HydrophobicContact CD2-CG 4.49Å; L489-K491 HydrophobicContact CG-CG 4.12Å
490	V	90.2	Very high	88.6	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.006	16%	0.157	C	C	.	.			trans	-104.1	102.6	-177.6	-174.8	0	0	0	0	110.3	I471 E488 L540 V541 F542 K552	I471-V490 HydrophobicContact CG1-CG2 4.32Å; E488-V490 HydrophobicContact CG-CG2 4.37Å; V490-L540 HydrophobicContact CB-CB 4.09Å; V490-L540 HydrophobicContact CB-CD1 3.86Å; V490-L540 HydrophobicContact CG1-CB 3.71Å; V490-L540 HydrophobicContact CG1-CD1 4.37Å; V490-L540 HydrophobicContact CG2-CD1 4.47Å; V490-V541 VanDerWaalsContact CG1-O 3.23Å; V490-V541 WeakPolarHBondContact CG1-O 3.34Å; V490-F542 HydrophobicContact CG1-CB 4.16Å; V490-F542 HydrophobicContact CG1-CD2 4.42Å; V490-K552 HydrophobicContact CG1-CD 4.49Å; V490-K552 HydrophobicContact CG2-CB 4.44Å; V490-K552 HydrophobicContact CG2-CD 3.51Å
491	K	85.7	Confident	88.2	Confident	86 Å²	86	25.6 Å²	25.6	37%	0.374	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.3	-171.6	-66.7	-177.3	172.5	178.5	0	115.5	E428 E437 L489 G493 A702	E428-K491 IonicContact OE1-NZ 3.71Å; E437-K491 IonicContact OE1-NZ 2.77Å; E437-K491 PolarHBondContact OE1-NZ 2.84Å; E437-K491 WeakPolarHBondContact OE2-CE 3.42Å; E437-K491 IonicContact OE2-NZ 2.69Å; E437-K491 PolarHBondContact OE2-NZ 3.45Å; L489-K491 HydrophobicContact CD2-CG 4.49Å; L489-K491 HydrophobicContact CG-CG 4.12Å; K491-G493 VanDerWaalsContact C-N 3.3Å; K491-G493 PolarHBondContact O-N 3.19Å; K491-A702 VanDerWaalsContact O-CB 3.32Å; K491-A702 WeakPolarHBondContact O-CB 3.17Å
492	G	80.3	Confident	87.8	Confident	34 Å²	34	23.8 Å²	23.8	35%	0.351	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	4.8	-173	0	0	0	0	0	116.5	V541	G492-V541 WeakPolarHBondContact CA-O 3.28Å; G492-V541 PolarHBondContact N-O 2.75Å
493	G	85.9	Confident	87.2	Confident	4 Å²	4	24.7 Å²	24.7	4%	0.041	16%	0.158	C	C	.	.			trans	84	-174.1	178.9	0	0	0	0	0	113.9	K491 L540 V541	K491-G493 VanDerWaalsContact C-N 3.3Å; K491-G493 PolarHBondContact O-N 3.19Å; G493-L540 WeakPolarHBondContact O-CA 3.42Å; G493-V541 PolarHBondContact O-N 2.83Å
494	D	86.8	Confident	86.8	Confident	28 Å²	28	28.9 Å²	28.9	15%	0.15	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-81.9	170.3	173.7	71.8	50.1	0	0	0	112.4	F496 D497 A498 L539 L540	D494-F496 PolarHBondContact O-N 3.16Å; D494-F496 VanDerWaalsContact O-N 3.13Å; D494-F496 WeakPolarHBondContact OD1-CA 3.33Å; D494-F496 PolarHBondContact OD1-N 2.72Å; D494-D497 PolarHBondContact O-N 2.6Å; D494-D497 PolarHBondContact OD1-N 3.01Å; D494-A498 PolarHBondContact O-N 3.28Å; D494-L539 CarbonylContact C-O 3.58Å; D494-L540 HydrophobicContact CB-CD2 4.33Å
495	L	86	Confident	86.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-51.5	-33.8	-179.3	-176.8	59.8	0	0	0	113.7	I499 M513 P536 L539 L551 I598 L602	L495-I499 WeakPolarHBondContact O-CD1 3.18Å; L495-I499 VanDerWaalsContact O-CG1 3.27Å; L495-I499 WeakPolarHBondContact O-CG1 3.38Å; L495-I499 PolarHBondContact O-N 3.49Å; L495-M513 HydrophobicContact CD1-CE 4.22Å; L495-M513 HydrophobicContact CD1-CG 4.29Å; L495-M513 HydrophobicContact CD1-SD 3.69Å; L495-P536 HydrophobicContact CB-CB 4.28Å; L495-P536 HydrophobicContact CD2-CB 4.16Å; L495-L539 HydrophobicContact CB-CB 4.19Å; L495-L539 HydrophobicContact CD2-CB 4.33Å; L495-L539 HydrophobicContact CD2-CD1 3.88Å; L495-L539 PolarHBondContact N-O 2.86Å; L495-L551 HydrophobicContact CD1-CD1 3.84Å; L495-L551 HydrophobicContact CD1-CD2 3.76Å; L495-L551 HydrophobicContact CD1-CG 4.46Å; L495-I598 HydrophobicContact CD2-CG2 3.73Å; L495-L602 HydrophobicContact CD1-CD2 4.05Å; L495-L602 HydrophobicContact CD2-CD2 4.03Å; L495-L602 HydrophobicContact CG-CD2 4.04Å
496	F	84.9	Confident	86.3	Confident	7 Å²	7	28.8 Å²	28.8	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-91.6	-37.6	-175.9	-67.5	-11.5	0	0	0	112.1	D494 A498 I499 M500 P536 I601 L687 F691	D494-F496 PolarHBondContact O-N 3.16Å; D494-F496 VanDerWaalsContact O-N 3.13Å; D494-F496 WeakPolarHBondContact OD1-CA 3.33Å; D494-F496 PolarHBondContact OD1-N 2.72Å; F496-A498 PolarHBondContact O-N 2.89Å; F496-I499 HydrophobicContact CD1-CD1 4.31Å; F496-I499 PolarHBondContact O-N 3.09Å; F496-M500 WeakPolarHBondContact O-CB 3.21Å; F496-M500 VanDerWaalsContact O-CG 3.25Å; F496-M500 WeakPolarHBondContact O-CG 3.45Å; F496-M500 PolarHBondContact O-N 3.45Å; F496-P536 HydrophobicContact CD1-CB 4.11Å; F496-P536 HydrophobicContact CD2-CB 3.9Å; F496-P536 HydrophobicContact CD2-CG 4.39Å; F496-P536 HydrophobicContact CE1-CB 3.77Å; F496-P536 HydrophobicContact CE1-CG 3.82Å; F496-P536 HydrophobicContact CE2-CB 3.53Å; F496-P536 HydrophobicContact CE2-CG 3.52Å; F496-P536 HydrophobicContact CG-CB 4.18Å; F496-P536 HydrophobicContact CZ-CB 3.47Å; F496-P536 VanDerWaalsContact CZ-CB 3.47Å; F496-P536 HydrophobicContact CZ-CG 3.19Å; F496-I601 HydrophobicContact CE1-CG2 3.96Å; F496-I601 HydrophobicContact CE2-CG2 4.38Å; F496-I601 HydrophobicContact CZ-CB 4.41Å; F496-I601 HydrophobicContact CZ-CG2 3.48Å; F496-I601 VanDerWaalsContact CZ-CG2 3.48Å; F496-L687 HydrophobicContact CB-CD2 3.77Å; F496-L687 HydrophobicContact CB-CG 4.36Å; F496-L687 HydrophobicContact CD1-CD1 3.86Å; F496-L687 HydrophobicContact CD1-CD2 3.96Å; F496-L687 HydrophobicContact CD1-CG 4.4Å; F496-L687 HydrophobicContact CD2-CD1 3.93Å; F496-L687 HydrophobicContact CD2-CD2 4.49Å; F496-L687 HydrophobicContact CD2-CG 4.28Å; F496-L687 HydrophobicContact CE1-CD1 3.85Å; F496-L687 HydrophobicContact CE2-CD1 3.9Å; F496-L687 HydrophobicContact CG-CD1 3.91Å; F496-L687 HydrophobicContact CG-CD2 3.84Å; F496-L687 HydrophobicContact CG-CG 4.11Å; F496-L687 HydrophobicContact CZ-CD1 3.86Å; F496-F691 HydrophobicContact CD2-CB 4.22Å; F496-F691 HydrophobicContact CD2-CD1 4.31Å; F496-F691 HydrophobicContact CD2-CD2 4.26Å; F496-F691 AromaticContact CD2-CG 4Å; F496-F691 HydrophobicContact CD2-CG 4Å; F496-F691 HydrophobicContact CE2-CB 4.41Å; F496-F691 AromaticContact CE2-CD1 3.74Å; F496-F691 HydrophobicContact CE2-CD1 3.74Å; F496-F691 AromaticContact CE2-CD2 3.79Å; F496-F691 HydrophobicContact CE2-CD2 3.79Å; F496-F691 AromaticContact CE2-CE1 3.86Å; F496-F691 HydrophobicContact CE2-CE1 3.86Å; F496-F691 AromaticContact CE2-CE2 3.91Å; F496-F691 HydrophobicContact CE2-CE2 3.91Å; F496-F691 AromaticContact CE2-CG 3.7Å; F496-F691 HydrophobicContact CE2-CG 3.7Å; F496-F691 AromaticContact CE2-CZ 3.95Å; F496-F691 HydrophobicContact CE2-CZ 3.95Å; F496-F691 HydrophobicContact CZ-CE2 4.31Å; F496-F691 HydrophobicContact CZ-CZ 4.33Å
497	D	82.9	Confident	86.1	Confident	26 Å²	26	29 Å²	29	14%	0.139	18%	0.175	C	C	.	.	H	α-helix	trans	-53.3	-42.2	167	-90.7	-21.7	0	0	0	110.9	D494 M500 S501 T693	D494-D497 PolarHBondContact O-N 2.6Å; D494-D497 PolarHBondContact OD1-N 3.01Å; D497-M500 PolarHBondContact O-N 2.78Å; D497-S501 VanDerWaalsContact O-CB 3.32Å; D497-S501 WeakPolarHBondContact O-CB 3.19Å; D497-S501 PolarHBondContact O-N 3.02Å; D497-S501 PolarHBondContact O-OG 3.31Å; D497-T693 WeakPolarHBondContact OD1-CG2 3.37Å
498	A	82	Confident	85.8	Confident	4 Å²	4	31.2 Å²	31.2	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-37	178.1	0	0	0	0	0	114.3	D494 F496 S501 S502 V541	D494-A498 PolarHBondContact O-N 3.28Å; F496-A498 PolarHBondContact O-N 2.89Å; A498-S501 WeakPolarHBondContact CA-OG 3.28Å; A498-S501 PolarHBondContact O-OG 2.87Å; A498-S501 VanDerWaalsContact O-OG 3.14Å; A498-S502 WeakPolarHBondContact O-CB 3.39Å; A498-S502 PolarHBondContact O-N 3.31Å; A498-V541 HydrophobicContact CB-CB 3.9Å; A498-V541 HydrophobicContact CB-CG1 4.19Å; A498-V541 HydrophobicContact CB-CG2 3.34Å
499	I	84.1	Confident	85.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-73.1	-38.9	176.8	-67.3	167.6	0	0	0	111	L495 F496 Y505 M513 L602 V683 L687	L495-I499 WeakPolarHBondContact O-CD1 3.18Å; L495-I499 VanDerWaalsContact O-CG1 3.27Å; L495-I499 WeakPolarHBondContact O-CG1 3.38Å; L495-I499 PolarHBondContact O-N 3.49Å; F496-I499 HydrophobicContact CD1-CD1 4.31Å; F496-I499 PolarHBondContact O-N 3.09Å; I499-Y505 HydrophobicContact CD1-CE1 4.5Å; I499-Y505 HydrophobicContact CD1-CE2 4.1Å; I499-Y505 HydrophobicContact CG1-CD2 4.12Å; I499-Y505 HydrophobicContact CG1-CE2 3.71Å; I499-Y505 HydrophobicContact CG2-CD1 4.19Å; I499-Y505 HydrophobicContact CG2-CD2 4.31Å; I499-Y505 HydrophobicContact CG2-CE1 4.38Å; I499-Y505 HydrophobicContact CG2-CE2 4.49Å; I499-Y505 HydrophobicContact CG2-CG 4.15Å; I499-M513 HydrophobicContact CD1-SD 4.45Å; I499-M513 HydrophobicContact CG1-CE 4.23Å; I499-L602 HydrophobicContact CD1-CD2 3.44Å; I499-L602 VanDerWaalsContact CD1-CD2 3.44Å; I499-V683 HydrophobicContact CG2-CG1 4.17Å; I499-L687 HydrophobicContact CB-CD2 4.36Å; I499-L687 HydrophobicContact CG2-CD2 4.24Å
500	M	83.2	Confident	85.6	Confident	36 Å²	36	31.8 Å²	31.8	18%	0.177	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-39.7	177.8	-68.6	-60.9	-68.7	0	0	112.1	F496 D497 K680 S684 L687 R688	F496-M500 WeakPolarHBondContact O-CB 3.21Å; F496-M500 VanDerWaalsContact O-CG 3.25Å; F496-M500 WeakPolarHBondContact O-CG 3.45Å; F496-M500 PolarHBondContact O-N 3.45Å; D497-M500 PolarHBondContact O-N 2.78Å; M500-K680 PolarHBondContact O-NZ 2.62Å; M500-S684 VanDerWaalsContact SD-CB 3.56Å; M500-L687 HydrophobicContact CG-CD2 4.11Å; M500-L687 HydrophobicContact SD-CB 4.3Å; M500-L687 HydrophobicContact SD-CD2 4.11Å; M500-R688 HydrophobicContact CE-CB 4.13Å
501	S	80.6	Confident	85.7	Confident	83 Å²	83	31.8 Å²	31.8	58%	0.58	19%	0.189	S	C	*	.	H	α-helix	trans	-75.9	-41.5	179.5	55.2	0	0	0	0	113.7	D497 A498 A503	D497-S501 VanDerWaalsContact O-CB 3.32Å; D497-S501 WeakPolarHBondContact O-CB 3.19Å; D497-S501 PolarHBondContact O-N 3.02Å; D497-S501 PolarHBondContact O-OG 3.31Å; A498-S501 WeakPolarHBondContact CA-OG 3.28Å; A498-S501 PolarHBondContact O-OG 2.87Å; A498-S501 VanDerWaalsContact O-OG 3.14Å; S501-A503 PolarHBondContact O-N 2.66Å
502	S	80	Confident	86	Confident	34 Å²	34	30.2 Å²	30.2	24%	0.238	19%	0.187	C	C	.	.	S	Bend	trans	-54.9	131.5	-176.4	-175.2	0	0	0	0	112.8	A498 K504 K680	A498-S502 WeakPolarHBondContact O-CB 3.39Å; A498-S502 PolarHBondContact O-N 3.31Å; S502-K504 PolarHBondContact O-N 2.86Å; S502-K504 PolarHBondContact OG-O 3.11Å; S502-K680 VanDerWaalsContact O-CD 3.24Å; S502-K680 WeakPolarHBondContact O-CD 3.38Å; S502-K680 WeakPolarHBondContact O-CE 3.41Å; S502-K680 PolarHBondContact O-NZ 3.48Å
503	A	79.3	Confident	86.6	Confident	93 Å²	93	29.5 Å²	29.5	77%	0.769	17%	0.174	S	C	*	.	S	Bend	trans	-63.2	-30	-178.2	0	0	0	0	0	113.5	S501	S501-A503 PolarHBondContact O-N 2.66Å
504	K	84.9	Confident	87.1	Confident	96 Å²	96	29.5 Å²	29.5	42%	0.417	17%	0.173	S	C	.	.			trans	-130.5	147.1	178.9	-169	-171.2	-178.3	-164.9	0	109.3	S502 T506 K676 N678	S502-K504 PolarHBondContact O-N 2.86Å; S502-K504 PolarHBondContact OG-O 3.11Å; K504-T506 HydrophobicContact CD-CG2 4.16Å; K504-T506 VanDerWaalsContact CE-CG2 3.45Å; K504-T506 HydrophobicContact CG-CG2 4.22Å; K504-K676 PolarHBondContact NZ-O 3.06Å; K504-N678 HydrophobicContact CG-CB 4.28Å; K504-N678 WeakPolarHBondContact CG-OD1 3.27Å
505	Y	87.8	Confident	87.6	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.016	19%	0.188	C	C	.	.			trans	-144.9	133.2	171.5	-170.6	-107.2	0	0	0	110.7	I499 D509 A510 M513 L602 N678 M679 K680 V683	I499-Y505 HydrophobicContact CD1-CE1 4.5Å; I499-Y505 HydrophobicContact CD1-CE2 4.1Å; I499-Y505 HydrophobicContact CG1-CD2 4.12Å; I499-Y505 HydrophobicContact CG1-CE2 3.71Å; I499-Y505 HydrophobicContact CG2-CD1 4.19Å; I499-Y505 HydrophobicContact CG2-CD2 4.31Å; I499-Y505 HydrophobicContact CG2-CE1 4.38Å; I499-Y505 HydrophobicContact CG2-CE2 4.49Å; I499-Y505 HydrophobicContact CG2-CG 4.15Å; Y505-D509 HydrophobicContact CD2-CB 3.88Å; Y505-D509 HydrophobicContact CE2-CB 3.71Å; Y505-A510 WeakPolarHBondContact OH-CA 3Å; Y505-A510 WeakPolarHBondContact OH-CB 3.44Å; Y505-M513 HydrophobicContact CE2-CE 4.12Å; Y505-M513 HydrophobicContact CE2-SD 4.06Å; Y505-L602 WeakPolarHBondContact CE1-O 3.16Å; Y505-N678 PolarHBondContact N-OD1 3.19Å; Y505-N678 CarbonylContact O-C 3.36Å; Y505-N678 WeakPolarHBondContact O-CA 3.37Å; Y505-N678 PolarHBondContact O-OD1 3.19Å; Y505-N678 VanDerWaalsContact O-OD1 3.1Å; Y505-M679 HydrophobicContact CD1-CG 4.1Å; Y505-M679 HydrophobicContact CD1-SD 4.41Å; Y505-M679 HydrophobicContact CE1-SD 4.38Å; Y505-M679 WeakPolarHBondContact O-CG 3.18Å; Y505-M679 PolarHBondContact O-N 2.61Å; Y505-K680 PolarHBondContact O-N 3.49Å; Y505-V683 HydrophobicContact CD1-CG1 4.47Å; Y505-V683 HydrophobicContact CE1-CG1 4.39Å
506	T	90.3	Very high	88.1	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.037	19%	0.192	C	C	.	.			trans	-137.2	162.8	-172.1	70.3	0	0	0	0	111.6	K504 K508 D509 A510 T677	K504-T506 HydrophobicContact CD-CG2 4.16Å; K504-T506 VanDerWaalsContact CE-CG2 3.45Å; K504-T506 HydrophobicContact CG-CG2 4.22Å; T506-K508 PolarHBondContact O-N 3.41Å; T506-K508 VanDerWaalsContact O-N 3.15Å; T506-K508 PolarHBondContact OG1-N 3.37Å; T506-D509 WeakPolarHBondContact CA-OD2 3.48Å; T506-D509 WeakPolarHBondContact CB-OD2 3.39Å; T506-D509 PolarHBondContact N-OD2 3.44Å; T506-D509 WeakPolarHBondContact O-CB 3.21Å; T506-D509 PolarHBondContact O-N 2.75Å; T506-D509 VanDerWaalsContact OG1-CG 3.29Å; T506-D509 PolarHBondContact OG1-N 2.95Å; T506-D509 PolarHBondContact OG1-OD2 2.72Å; T506-A510 PolarHBondContact O-N 2.82Å; T506-T677 WeakPolarHBondContact CG2-O 3.46Å
507	E	90.7	Very high	88.7	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-24.9	175.1	-166.9	176.8	147.3	0	0	112.3	S511 L603 T639 W668 V674 M679	E507-S511 WeakPolarHBondContact O-CB 3.23Å; E507-S511 PolarHBondContact O-N 3.12Å; E507-L603 HydrophobicContact CB-CD2 4.45Å; E507-L603 HydrophobicContact CG-CD2 3.92Å; E507-T639 VanDerWaalsContact OE1-CB 3.32Å; E507-T639 WeakPolarHBondContact OE1-CB 3.23Å; E507-T639 VanDerWaalsContact OE1-CG2 3.27Å; E507-T639 WeakPolarHBondContact OE1-CG2 3.38Å; E507-T639 PolarHBondContact OE1-N 3.15Å; E507-T639 PolarHBondContact OE1-OG1 2.91Å; E507-T639 PolarHBondContact OE2-N 2.88Å; E507-W668 HydrophobicContact CG-CZ2 3.76Å; E507-W668 PolarHBondContact OE1-NE1 2.86Å; E507-V674 HydrophobicContact CB-CG1 3.46Å; E507-V674 VanDerWaalsContact CB-CG1 3.46Å; E507-V674 HydrophobicContact CG-CG1 3.58Å; E507-M679 HydrophobicContact CB-CE 3.7Å; E507-M679 HydrophobicContact CB-SD 4.31Å; E507-M679 HydrophobicContact CG-CE 4.41Å
508	K	89.5	Confident	89.4	Confident	60 Å²	60	33.5 Å²	33.5	26%	0.261	19%	0.188	S	C	.	.	H	α-helix	trans	-72.8	-34	173.8	178.6	64.2	-162.5	-167.8	0	112.5	T506 S511 T512 D672 V674	T506-K508 PolarHBondContact O-N 3.41Å; T506-K508 VanDerWaalsContact O-N 3.15Å; T506-K508 PolarHBondContact OG1-N 3.37Å; K508-S511 PolarHBondContact O-N 3.29Å; K508-T512 WeakPolarHBondContact O-CB 3.33Å; K508-T512 PolarHBondContact O-N 3.19Å; K508-T512 PolarHBondContact O-OG1 1.93Å; K508-D672 VanDerWaalsContact CE-OD1 3.23Å; K508-D672 WeakPolarHBondContact CE-OD1 3.32Å; K508-D672 IonicContact NZ-OD1 3.32Å; K508-D672 PolarHBondContact NZ-OD1 2.97Å; K508-V674 HydrophobicContact CB-CB 4.33Å; K508-V674 HydrophobicContact CB-CG1 4.19Å
509	D	89.4	Confident	90.2	Very high	61 Å²	61	33.9 Å²	33.9	33%	0.326	19%	0.191	S	C	.	.	H	α-helix	trans	-67.5	-44	174.8	-52.2	-56.1	0	0	0	109.4	Y505 T506 T512 M513	Y505-D509 HydrophobicContact CD2-CB 3.88Å; Y505-D509 HydrophobicContact CE2-CB 3.71Å; T506-D509 WeakPolarHBondContact CA-OD2 3.48Å; T506-D509 WeakPolarHBondContact CB-OD2 3.39Å; T506-D509 PolarHBondContact N-OD2 3.44Å; T506-D509 WeakPolarHBondContact O-CB 3.21Å; T506-D509 PolarHBondContact O-N 2.75Å; T506-D509 VanDerWaalsContact OG1-CG 3.29Å; T506-D509 PolarHBondContact OG1-N 2.95Å; T506-D509 PolarHBondContact OG1-OD2 2.72Å; D509-T512 PolarHBondContact O-N 3.35Å; D509-M513 VanDerWaalsContact O-CG 3.32Å; D509-M513 WeakPolarHBondContact O-CG 3.06Å; D509-M513 PolarHBondContact O-N 3.18Å
510	A	92.3	Very high	90.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-46.4	171.6	0	0	0	0	0	112.6	Y505 T506 T512 M513 V514 L602 L603 W668	Y505-A510 WeakPolarHBondContact OH-CA 3Å; Y505-A510 WeakPolarHBondContact OH-CB 3.44Å; T506-A510 PolarHBondContact O-N 2.82Å; A510-T512 VanDerWaalsContact C-N 3.32Å; A510-T512 PolarHBondContact O-N 3.14Å; A510-M513 WeakPolarHBondContact O-CB 3.33Å; A510-M513 PolarHBondContact O-N 3.21Å; A510-V514 WeakPolarHBondContact O-CG2 3.35Å; A510-V514 PolarHBondContact O-N 2.68Å; A510-L602 HydrophobicContact CB-CB 4.11Å; A510-L603 HydrophobicContact CB-CD2 3.55Å; A510-W668 HydrophobicContact CB-CH2 4.11Å; A510-W668 HydrophobicContact CB-CZ2 4.35Å
511	S	93.9	Very high	91.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-39.8	176.9	172.1	0	0	0	0	112.3	E507 K508 V514 Y515 W668	E507-S511 WeakPolarHBondContact O-CB 3.23Å; E507-S511 PolarHBondContact O-N 3.12Å; K508-S511 PolarHBondContact O-N 3.29Å; S511-V514 PolarHBondContact O-N 2.71Å; S511-Y515 PolarHBondContact O-N 2.92Å; S511-W668 VanDerWaalsContact CA-CH2 3.47Å; S511-W668 PolarHBondContact OG-O 2.99Å
512	T	92.1	Very high	92.5	Very high	53 Å²	53	31.5 Å²	31.5	33%	0.325	17%	0.172	S	C	.	.	H	α-helix	trans	-67.3	-41	176.3	-52.4	0	0	0	0	111.9	K508 D509 A510 Y515 N516	K508-T512 WeakPolarHBondContact O-CB 3.33Å; K508-T512 PolarHBondContact O-N 3.19Å; K508-T512 PolarHBondContact O-OG1 1.93Å; D509-T512 PolarHBondContact O-N 3.35Å; A510-T512 VanDerWaalsContact C-N 3.32Å; A510-T512 PolarHBondContact O-N 3.14Å; T512-Y515 WeakPolarHBondContact O-CB 3.26Å; T512-Y515 PolarHBondContact O-N 3.26Å; T512-N516 PolarHBondContact O-N 3.01Å; T512-N516 VanDerWaalsContact O-N 3.15Å
513	M	92.9	Very high	93.4	Very high	19 Å²	19	32.5 Å²	32.5	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-44.9	173	-73.9	170.1	173.3	0	0	111.8	L495 I499 Y505 D509 A510 N516 L517 L551 L602	L495-M513 HydrophobicContact CD1-CE 4.22Å; L495-M513 HydrophobicContact CD1-CG 4.29Å; L495-M513 HydrophobicContact CD1-SD 3.69Å; I499-M513 HydrophobicContact CD1-SD 4.45Å; I499-M513 HydrophobicContact CG1-CE 4.23Å; Y505-M513 HydrophobicContact CE2-CE 4.12Å; Y505-M513 HydrophobicContact CE2-SD 4.06Å; D509-M513 VanDerWaalsContact O-CG 3.32Å; D509-M513 WeakPolarHBondContact O-CG 3.06Å; D509-M513 PolarHBondContact O-N 3.18Å; A510-M513 WeakPolarHBondContact O-CB 3.33Å; A510-M513 PolarHBondContact O-N 3.21Å; M513-N516 PolarHBondContact O-N 3.32Å; M513-L517 PolarHBondContact O-N 2.42Å; M513-L517 VanDerWaalsContact O-N 3.09Å; M513-L551 HydrophobicContact CB-CD1 3.81Å; M513-L551 HydrophobicContact CB-CG 4.12Å; M513-L551 HydrophobicContact CG-CD1 4.19Å; M513-L551 HydrophobicContact CG-CD2 4.1Å; M513-L551 HydrophobicContact CG-CG 4.09Å; M513-L551 WeakPolarHBondContact O-CD1 3.48Å; M513-L602 HydrophobicContact CB-CD1 4.22Å; M513-L602 HydrophobicContact SD-CD2 4.16Å
514	V	95.9	Very high	94.3	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-67.5	-36.2	178	172.7	0	0	0	0	111.8	A510 S511 L517 A518 T599 L602 V663 W668 V669	A510-V514 WeakPolarHBondContact O-CG2 3.35Å; A510-V514 PolarHBondContact O-N 2.68Å; S511-V514 PolarHBondContact O-N 2.71Å; V514-L517 PolarHBondContact O-N 3.36Å; V514-A518 VanDerWaalsContact O-CB 3.26Å; V514-A518 WeakPolarHBondContact O-CB 3.32Å; V514-A518 PolarHBondContact O-N 2.7Å; V514-T599 HydrophobicContact CG2-CG2 3.93Å; V514-T599 WeakPolarHBondContact CG2-OG1 3.29Å; V514-L602 HydrophobicContact CG2-CD1 3.91Å; V514-V663 HydrophobicContact CG1-CG1 4.21Å; V514-W668 HydrophobicContact CB-CZ3 3.99Å; V514-W668 HydrophobicContact CG1-CZ3 4.19Å; V514-W668 HydrophobicContact CG2-CH2 4.33Å; V514-W668 HydrophobicContact CG2-CZ3 4.02Å; V514-V669 HydrophobicContact CG1-CG2 4.41Å
515	Y	96.4	Very high	94.9	Very high	119 Å²	119	24.6 Å²	24.6	47%	0.467	12%	0.12	S	C	.	.	H	α-helix	trans	-57.4	-48.5	171.3	176.7	-96.6	0	0	0	111.7	S511 T512 L517 A518 A519 L664 V669	S511-Y515 PolarHBondContact O-N 2.92Å; T512-Y515 WeakPolarHBondContact O-CB 3.26Å; T512-Y515 PolarHBondContact O-N 3.26Å; Y515-L517 PolarHBondContact O-N 2.97Å; Y515-A518 PolarHBondContact O-N 2.78Å; Y515-A519 WeakPolarHBondContact O-CB 3.45Å; Y515-A519 PolarHBondContact O-N 3.09Å; Y515-L664 HydrophobicContact CD2-CD2 3.5Å; Y515-L664 HydrophobicContact CE2-CD2 3.64Å; Y515-L664 HydrophobicContact CG-CD2 4.26Å; Y515-V669 HydrophobicContact CD2-CG1 3.76Å; Y515-V669 HydrophobicContact CG-CG1 4.33Å
516	N	96.5	Very high	95.4	Very high	15 Å²	15	28.4 Å²	28.4	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-43.3	178.4	-67.5	153.4	0	0	0	112.6	N469 T512 M513 A519 A520 S550 L551	N469-N516 HydrophobicContact CB-CB 4.31Å; N469-N516 WeakPolarHBondContact CB-O 3.49Å; N469-N516 WeakPolarHBondContact ND2-CB 3.2Å; N469-N516 VanDerWaalsContact ND2-CG 3.28Å; N469-N516 PolarHBondContact ND2-ND2 2.84Å; T512-N516 PolarHBondContact O-N 3.01Å; T512-N516 VanDerWaalsContact O-N 3.15Å; M513-N516 PolarHBondContact O-N 3.32Å; N516-A519 PolarHBondContact O-N 2.93Å; N516-A520 PolarHBondContact O-N 3.29Å; N516-S550 VanDerWaalsContact OD1-CA 3.27Å; N516-S550 WeakPolarHBondContact OD1-CA 3.33Å; N516-L551 HydrophobicContact CB-CB 3.86Å; N516-L551 HydrophobicContact CB-CG 4.42Å; N516-L551 PolarHBondContact OD1-N 3.35Å
517	L	97.9	Very high	95.7	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-47.2	176.2	176.9	54.6	0	0	0	111.3	M513 V514 Y515 A519 A520 L521 I534 L539 A595 I598	M513-L517 PolarHBondContact O-N 2.42Å; M513-L517 VanDerWaalsContact O-N 3.09Å; V514-L517 PolarHBondContact O-N 3.36Å; Y515-L517 PolarHBondContact O-N 2.97Å; L517-A519 VanDerWaalsContact C-N 3.3Å; L517-A519 PolarHBondContact O-N 3.34Å; L517-A520 PolarHBondContact O-N 2.99Å; L517-L521 HydrophobicContact CD1-CD1 4.18Å; L517-L521 HydrophobicContact CD1-CG 4.14Å; L517-L521 HydrophobicContact CG-CD1 4.3Å; L517-L521 WeakPolarHBondContact O-CG 3.43Å; L517-L521 PolarHBondContact O-N 3.02Å; L517-I534 HydrophobicContact CD1-CG2 4.39Å; L517-L539 HydrophobicContact CD1-CD1 4.46Å; L517-L539 HydrophobicContact CD1-CD2 3.89Å; L517-L539 HydrophobicContact CD2-CD1 4.08Å; L517-A595 HydrophobicContact CD2-CB 3.67Å; L517-A595 HydrophobicContact CG-CB 4.18Å; L517-I598 HydrophobicContact CD2-CD1 4.43Å
518	A	98.3	Very high	96	Very high	5 Å²	5	34.2 Å²	34.2	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-30.8	179.5	0	0	0	0	0	112.5	V514 Y515 L522 V663 L664	V514-A518 VanDerWaalsContact O-CB 3.26Å; V514-A518 WeakPolarHBondContact O-CB 3.32Å; V514-A518 PolarHBondContact O-N 2.7Å; Y515-A518 PolarHBondContact O-N 2.78Å; A518-L522 WeakPolarHBondContact O-CB 3.33Å; A518-L522 PolarHBondContact O-N 2.9Å; A518-V663 HydrophobicContact CB-CB 4.21Å; A518-V663 HydrophobicContact CB-CG1 3.65Å; A518-L664 HydrophobicContact CB-CD1 4.5Å; A518-L664 HydrophobicContact CB-CD2 3.83Å; A518-L664 HydrophobicContact CB-CG 3.72Å
519	A	98.3	Very high	96.4	Very high	13 Å²	13	31.3 Å²	31.3	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-47.7	171.3	0	0	0	0	0	111.9	Y515 N516 L517 L521 L522 Y523 L664	Y515-A519 WeakPolarHBondContact O-CB 3.45Å; Y515-A519 PolarHBondContact O-N 3.09Å; N516-A519 PolarHBondContact O-N 2.93Å; L517-A519 VanDerWaalsContact C-N 3.3Å; L517-A519 PolarHBondContact O-N 3.34Å; A519-L521 VanDerWaalsContact C-N 3.34Å; A519-L521 PolarHBondContact O-N 3.13Å; A519-L522 PolarHBondContact O-N 3.32Å; A519-Y523 PolarHBondContact O-N 2.9Å; A519-L664 HydrophobicContact CB-CD2 4.35Å
520	A	98.4	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-43.8	174.3	0	0	0	0	0	112.1	N469 I470 N516 L517 Y523 L524 L553	N469-A520 HydrophobicContact CB-CB 4.12Å; I470-A520 HydrophobicContact CD1-CB 4.15Å; I470-A520 HydrophobicContact CG1-CB 3.78Å; N516-A520 PolarHBondContact O-N 3.29Å; L517-A520 PolarHBondContact O-N 2.99Å; A520-Y523 PolarHBondContact O-N 2.85Å; A520-L524 WeakPolarHBondContact O-CG 3.39Å; A520-L524 PolarHBondContact O-N 3.46Å; A520-L553 HydrophobicContact CB-CD2 4.49Å
521	L	98.6	Very high	97	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-67.5	-40.7	177	-67.4	-177.4	0	0	0	112.5	L517 A519 Y523 L524 H525 I534 D591 I592 A595 A660	L517-L521 HydrophobicContact CD1-CD1 4.18Å; L517-L521 HydrophobicContact CD1-CG 4.14Å; L517-L521 HydrophobicContact CG-CD1 4.3Å; L517-L521 WeakPolarHBondContact O-CG 3.43Å; L517-L521 PolarHBondContact O-N 3.02Å; A519-L521 VanDerWaalsContact C-N 3.34Å; A519-L521 PolarHBondContact O-N 3.13Å; L521-Y523 VanDerWaalsContact C-N 3.29Å; L521-Y523 PolarHBondContact O-N 2.84Å; L521-L524 PolarHBondContact O-N 3.37Å; L521-H525 WeakPolarHBondContact O-CB 3.34Å; L521-H525 PolarHBondContact O-CD2 3.05Å; L521-H525 PolarHBondContact O-N 2.99Å; L521-I534 HydrophobicContact CD2-CD1 3.83Å; L521-I534 HydrophobicContact CD2-CG1 4.27Å; L521-D591 HydrophobicContact CD1-CB 4.03Å; L521-D591 HydrophobicContact CD2-CB 3.68Å; L521-D591 HydrophobicContact CG-CB 4.48Å; L521-I592 HydrophobicContact CD1-CD1 4.15Å; L521-A595 HydrophobicContact CD1-CB 3.95Å; L521-A660 HydrophobicContact CB-CB 4.04Å
522	L	98.6	Very high	97	Very high	69 Å²	69	30.2 Å²	30.2	36%	0.361	16%	0.156	S	C	.	.	H	α-helix	trans	-59.8	-42.7	174.8	177.4	60.4	0	0	0	111.1	A518 A519 S526 A660 K661 L664	A518-L522 WeakPolarHBondContact O-CB 3.33Å; A518-L522 PolarHBondContact O-N 2.9Å; A519-L522 PolarHBondContact O-N 3.32Å; L522-S526 WeakPolarHBondContact O-CB 3.32Å; L522-S526 PolarHBondContact O-N 2.92Å; L522-A660 HydrophobicContact CB-CB 3.8Å; L522-K661 HydrophobicContact CD1-CB 3.95Å; L522-K661 HydrophobicContact CD2-CB 4.5Å; L522-L664 HydrophobicContact CB-CD1 3.81Å; L522-L664 HydrophobicContact CD2-CD1 3.48Å; L522-L664 VanDerWaalsContact CD2-CD1 3.48Å; L522-L664 HydrophobicContact CG-CD1 4.26Å
523	Y	98.6	Very high	97.1	Very high	55 Å²	55	27.8 Å²	27.8	22%	0.216	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-54.3	175.6	174.2	-92.9	0	0	0	111.5	R464 V465 K466 H467 I470 A519 A520 L521 H525 S526 I527	R464-Y523 PolarHBondContact O-OH 3.5Å; V465-Y523 HydrophobicContact CB-CE1 4.41Å; V465-Y523 HydrophobicContact CG1-CE1 4.06Å; K466-Y523 PolarHBondContact N-OH 2.91Å; K466-Y523 WeakPolarHBondContact O-CE2 3.31Å; K466-Y523 PolarHBondContact O-OH 3.25Å; H467-Y523 HydrophobicContact CB-CD1 3.82Å; H467-Y523 HydrophobicContact CB-CD2 4.28Å; H467-Y523 HydrophobicContact CB-CE1 4.16Å; H467-Y523 HydrophobicContact CB-CG 3.88Å; H467-Y523 AromaticContact CD2-CD2 3.92Å; H467-Y523 AromaticContact CD2-CG 3.75Å; H467-Y523 AromaticContact CG-CG 3.95Å; I470-Y523 HydrophobicContact CD1-CD1 3.97Å; A519-Y523 PolarHBondContact O-N 2.9Å; A520-Y523 PolarHBondContact O-N 2.85Å; L521-Y523 VanDerWaalsContact C-N 3.29Å; L521-Y523 PolarHBondContact O-N 2.84Å; Y523-H525 VanDerWaalsContact C-N 3.35Å; Y523-H525 PolarHBondContact O-N 3.49Å; Y523-S526 PolarHBondContact O-N 3.08Å; Y523-S526 PolarHBondContact O-OG 3.25Å; Y523-I527 HydrophobicContact CE1-CD1 3.87Å; Y523-I527 PolarHBondContact O-N 3.12Å
524	L	98.4	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-43.6	-179.7	-69	175.5	0	0	0	112.1	V465 I470 A520 L521 S526 I527 N528 I529 L553 F556	V465-L524 HydrophobicContact CB-CD2 4.49Å; V465-L524 HydrophobicContact CG1-CD2 3.95Å; V465-L524 HydrophobicContact CG2-CD2 3.63Å; I470-L524 HydrophobicContact CD1-CD1 4.17Å; I470-L524 HydrophobicContact CD1-CD2 3.95Å; I470-L524 HydrophobicContact CD1-CG 3.87Å; A520-L524 WeakPolarHBondContact O-CG 3.39Å; A520-L524 PolarHBondContact O-N 3.46Å; L521-L524 PolarHBondContact O-N 3.37Å; L524-S526 VanDerWaalsContact C-N 3.31Å; L524-S526 PolarHBondContact O-N 3.41Å; L524-I527 CarbonylContact O-C 3.56Å; L524-I527 VanDerWaalsContact O-CG1 3.24Å; L524-I527 WeakPolarHBondContact O-CG1 3.26Å; L524-I527 PolarHBondContact O-N 2.99Å; L524-N528 PolarHBondContact O-N 3.17Å; L524-I529 CarbonylContact C-O 3.55Å; L524-I529 HydrophobicContact CB-CB 4.38Å; L524-I529 HydrophobicContact CD2-CB 4.3Å; L524-I529 HydrophobicContact CD2-CG2 4.16Å; L524-I529 PolarHBondContact O-N 2.99Å; L524-L553 HydrophobicContact CD1-CD2 3.96Å; L524-F556 HydrophobicContact CD1-CE1 3.91Å; L524-F556 HydrophobicContact CD1-CZ 4.28Å; L524-F556 HydrophobicContact CD2-CE1 3.88Å; L524-F556 HydrophobicContact CD2-CZ 4.43Å
525	H	98.3	Very high	97.1	Very high	23 Å²	23	27.7 Å²	27.7	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-31	179.8	-66.2	-175.2	0	0	0	111.8	L521 Y523 I527 N528 I529 L588 D591	L521-H525 WeakPolarHBondContact O-CB 3.34Å; L521-H525 PolarHBondContact O-CD2 3.05Å; L521-H525 PolarHBondContact O-N 2.99Å; Y523-H525 VanDerWaalsContact C-N 3.35Å; Y523-H525 PolarHBondContact O-N 3.49Å; H525-I527 PolarHBondContact O-N 3.21Å; H525-N528 PolarHBondContact O-N 3.41Å; H525-N528 VanDerWaalsContact O-N 3.15Å; H525-I529 PolarHBondContact CD2-O 3.2Å; H525-L588 HydrophobicContact CB-CD1 4.08Å; H525-L588 PolarHBondContact CE1-O 2.97Å; H525-L588 PolarHBondContact NE2-O 3.23Å; H525-D591 IonicContact CD2-OD2 2.82Å; H525-D591 IonicContact CE1-OD2 3.01Å; H525-D591 IonicContact NE2-OD2 2.75Å; H525-D591 PolarHBondContact NE2-OD2 3.44Å
526	S	97.9	Very high	96.8	Very high	83 Å²	83	22.1 Å²	22.1	58%	0.58	12%	0.118	S	C	*	.	H	α-helix	trans	-65.7	-24.5	174.8	79.8	0	0	0	0	113.7	L522 Y523 L524	L522-S526 WeakPolarHBondContact O-CB 3.32Å; L522-S526 PolarHBondContact O-N 2.92Å; Y523-S526 PolarHBondContact O-N 3.08Å; Y523-S526 PolarHBondContact O-OG 3.25Å; L524-S526 VanDerWaalsContact C-N 3.31Å; L524-S526 PolarHBondContact O-N 3.41Å
527	I	96.6	Very high	96.4	Very high	47 Å²	47	25 Å²	25	24%	0.241	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	17.8	175.2	60.6	176.7	0	0	0	113	V465 Y523 L524 H525 I529	V465-I527 HydrophobicContact CG2-CD1 4.23Å; Y523-I527 HydrophobicContact CE1-CD1 3.87Å; Y523-I527 PolarHBondContact O-N 3.12Å; L524-I527 CarbonylContact O-C 3.56Å; L524-I527 VanDerWaalsContact O-CG1 3.24Å; L524-I527 WeakPolarHBondContact O-CG1 3.26Å; L524-I527 PolarHBondContact O-N 2.99Å; H525-I527 PolarHBondContact O-N 3.21Å; I527-I529 VanDerWaalsContact C-N 3.31Å; I527-I529 HydrophobicContact CD1-CD1 3.66Å; I527-I529 HydrophobicContact CD1-CG1 4.34Å; I527-I529 HydrophobicContact CG1-CB 4.48Å; I527-I529 HydrophobicContact CG1-CD1 3.94Å; I527-I529 HydrophobicContact CG1-CG1 4.06Å; I527-I529 PolarHBondContact O-N 3.36Å
528	N	97	Very high	96.2	Very high	85 Å²	85	24.9 Å²	24.9	46%	0.455	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	32.1	-179.7	-57.9	-61.5	0	0	0	115	L524 H525 V561 V562	L524-N528 PolarHBondContact O-N 3.17Å; H525-N528 PolarHBondContact O-N 3.41Å; H525-N528 VanDerWaalsContact O-N 3.15Å; N528-V561 CarbonylContact O-C 3.59Å; N528-V561 WeakPolarHBondContact O-CA 3.27Å; N528-V562 PolarHBondContact O-N 3.43Å
529	I	97.2	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.6	174.4	-62.2	177.8	0	0	0	109.6	V461 V465 L524 H525 I527 A559 T560 V561 L588	V461-I529 HydrophobicContact CG1-CD1 4.21Å; V461-I529 HydrophobicContact CG1-CG2 4.16Å; V465-I529 HydrophobicContact CG2-CD1 3.87Å; L524-I529 CarbonylContact C-O 3.55Å; L524-I529 HydrophobicContact CB-CB 4.38Å; L524-I529 HydrophobicContact CD2-CB 4.3Å; L524-I529 HydrophobicContact CD2-CG2 4.16Å; L524-I529 PolarHBondContact O-N 2.99Å; H525-I529 PolarHBondContact CD2-O 3.2Å; I527-I529 VanDerWaalsContact C-N 3.31Å; I527-I529 HydrophobicContact CD1-CD1 3.66Å; I527-I529 HydrophobicContact CD1-CG1 4.34Å; I527-I529 HydrophobicContact CG1-CB 4.48Å; I527-I529 HydrophobicContact CG1-CD1 3.94Å; I527-I529 HydrophobicContact CG1-CG1 4.06Å; I527-I529 PolarHBondContact O-N 3.36Å; I529-A559 HydrophobicContact CG2-CB 4.39Å; I529-T560 WeakPolarHBondContact CA-O 3.49Å; I529-V561 HydrophobicContact CG1-CG2 4.25Å; I529-L588 WeakPolarHBondContact O-CD2 3.48Å
530	V	97.4	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.2	169.8	65.2	0	0	0	0	109.4	R532 A559 T560 V562 L566 L588 V590 D591	V530-R532 HydrophobicContact CB-CG 4.37Å; V530-R532 HydrophobicContact CG1-CG 3.86Å; V530-R532 HydrophobicContact CG2-CG 3.74Å; V530-A559 VanDerWaalsContact O-CA 3.24Å; V530-A559 WeakPolarHBondContact O-CA 3.18Å; V530-T560 HydrophobicContact CG1-CG2 3.88Å; V530-T560 PolarHBondContact N-O 2.64Å; V530-T560 PolarHBondContact O-N 3.02Å; V530-T560 VanDerWaalsContact O-N 3.08Å; V530-V562 HydrophobicContact CB-CG2 3.71Å; V530-V562 HydrophobicContact CG1-CG2 3.5Å; V530-L566 HydrophobicContact CG1-CD1 3.76Å; V530-L588 HydrophobicContact CB-CD2 4.15Å; V530-V590 HydrophobicContact CG2-CG2 3.58Å; V530-D591 WeakPolarHBondContact CA-OD2 3.36Å; V530-D591 WeakPolarHBondContact CG2-OD2 3.41Å
531	H	97.1	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.			trans	-91.8	-41.3	-175.4	-164.6	-85.4	0	0	0	113.6	D533 I534 G554 D555 F556 L558 D591	H531-D533 PolarHBondContact O-N 2.82Å; H531-I534 HydrophobicContact CB-CD1 3.61Å; H531-I534 HydrophobicContact CB-CG1 3.86Å; H531-G554 PolarHBondContact CE1-O 3.33Å; H531-G554 VanDerWaalsContact CE1-O 3.25Å; H531-G554 PolarHBondContact NE2-O 3Å; H531-D555 PolarHBondContact CE1-O 3.42Å; H531-D555 PolarHBondContact NE2-O 2.83Å; H531-F556 AromaticContact CD2-CD1 3.74Å; H531-F556 AromaticContact CD2-CE1 3.54Å; H531-F556 AromaticContact CD2-CZ 3.92Å; H531-F556 AromaticContact NE2-CD1 3.95Å; H531-F556 AromaticContact NE2-CE1 3.95Å; H531-L558 CarbonylContact O-C 3.6Å; H531-D591 PolarHBondContact N-OD1 2.76Å; H531-D591 PolarHBondContact N-OD2 3.3Å
532	R	94.9	Very high	94.8	Very high	38 Å²	38	27.1 Å²	27.1	14%	0.143	14%	0.137	C	C	.	.	S	Bend	trans	65.6	-22.8	175.7	-51.5	-170.8	-68.9	-177.9	-6.3	117.7	V530 L558 Y586 D591	V530-R532 HydrophobicContact CB-CG 4.37Å; V530-R532 HydrophobicContact CG1-CG 3.86Å; V530-R532 HydrophobicContact CG2-CG 3.74Å; R532-L558 HydrophobicContact CB-CB 4.38Å; R532-L558 PolarHBondContact NE-O 3.1Å; R532-L558 PolarHBondContact NH2-O 2.96Å; R532-Y586 VanDerWaalsContact CD-OH 3.3Å; R532-Y586 WeakPolarHBondContact CD-OH 3.2Å; R532-Y586 HydrophobicContact CG-CE2 4.32Å; R532-Y586 PolarHBondContact NH1-OH 3.41Å; R532-D591 PolarHBondContact N-OD1 2.94Å
533	D	94.1	Very high	94.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	14%	0.141	C	C	.	.			trans	-115.2	49.2	171	-155.6	31.3	0	0	0	111.2	H531 K535 N538 L558 T572 K714	H531-D533 PolarHBondContact O-N 2.82Å; D533-K535 VanDerWaalsContact CG-NZ 3.26Å; D533-K535 PolarHBondContact O-N 3.36Å; D533-K535 IonicContact OD1-NZ 2.7Å; D533-K535 PolarHBondContact OD1-NZ 3.23Å; D533-K535 WeakPolarHBondContact OD2-CE 3.35Å; D533-K535 IonicContact OD2-NZ 3.33Å; D533-K535 PolarHBondContact OD2-NZ 3.15Å; D533-N538 PolarHBondContact O-ND2 2.69Å; D533-N538 PolarHBondContact OD2-ND2 3.42Å; D533-N538 VanDerWaalsContact OD2-ND2 3.12Å; D533-L558 HydrophobicContact CB-CB 4.4Å; D533-L558 HydrophobicContact CB-CD1 4.16Å; D533-T572 PolarHBondContact OD1-OG1 2.6Å; D533-K714 IonicContact OD2-NZ 3.31Å; D533-K714 PolarHBondContact OD2-NZ 3.02Å
534	I	96.6	Very high	93.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	15%	0.146	C	C	.	.			trans	-74.3	112.5	172.3	-63.7	-64.7	0	0	0	108.7	L517 L521 H531 L553 D591 A594 I598	L517-I534 HydrophobicContact CD1-CG2 4.39Å; L521-I534 HydrophobicContact CD2-CD1 3.83Å; L521-I534 HydrophobicContact CD2-CG1 4.27Å; H531-I534 HydrophobicContact CB-CD1 3.61Å; H531-I534 HydrophobicContact CB-CG1 3.86Å; I534-L553 HydrophobicContact CD1-CD1 3.59Å; I534-L553 HydrophobicContact CD1-CD2 3.59Å; I534-L553 HydrophobicContact CD1-CG 4.26Å; I534-D591 HydrophobicContact CG1-CB 3.99Å; I534-A594 HydrophobicContact CB-CB 3.67Å; I534-A594 HydrophobicContact CG2-CB 3.82Å; I534-I598 HydrophobicContact CG2-CD1 3.72Å
535	K	92.3	Very high	92.2	Very high	18 Å²	18	34.7 Å²	34.7	8%	0.078	19%	0.186	C	C	.	.	S	Bend	trans	-159.3	158.8	-178.5	65.7	-173.3	-173.6	-150.4	0	111.6	D533 E537 N538 L539 T572 Y575	D533-K535 VanDerWaalsContact CG-NZ 3.26Å; D533-K535 PolarHBondContact O-N 3.36Å; D533-K535 IonicContact OD1-NZ 2.7Å; D533-K535 PolarHBondContact OD1-NZ 3.23Å; D533-K535 WeakPolarHBondContact OD2-CE 3.35Å; D533-K535 IonicContact OD2-NZ 3.33Å; D533-K535 PolarHBondContact OD2-NZ 3.15Å; K535-E537 VanDerWaalsContact CB-OE2 3.28Å; K535-E537 WeakPolarHBondContact CB-OE2 3.19Å; K535-E537 WeakPolarHBondContact CD-OE2 3.47Å; K535-E537 HydrophobicContact CG-CB 4.33Å; K535-E537 WeakPolarHBondContact CG-OE2 3.4Å; K535-E537 PolarHBondContact O-N 3.12Å; K535-N538 WeakPolarHBondContact CE-OD1 3.46Å; K535-N538 HydrophobicContact CG-CB 4.06Å; K535-N538 PolarHBondContact O-N 3.17Å; K535-L539 WeakPolarHBondContact O-CG 3.47Å; K535-L539 PolarHBondContact O-N 2.99Å; K535-T572 HydrophobicContact CD-CG2 4.25Å; K535-T572 VanDerWaalsContact CD-OG1 3.28Å; K535-T572 WeakPolarHBondContact CD-OG1 3.34Å; K535-T572 PolarHBondContact NZ-OG1 3.29Å; K535-Y575 HydrophobicContact CB-CD2 3.77Å; K535-Y575 HydrophobicContact CB-CE2 3.76Å; K535-Y575 HydrophobicContact CB-CG 4.2Å
536	P	89.8	Confident	91.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-53	-38.1	-178.3	-27	36	0	0	0	114.3	L495 F496 N538 L539 Y575 I598	L495-P536 HydrophobicContact CB-CB 4.28Å; L495-P536 HydrophobicContact CD2-CB 4.16Å; F496-P536 HydrophobicContact CD1-CB 4.11Å; F496-P536 HydrophobicContact CD2-CB 3.9Å; F496-P536 HydrophobicContact CD2-CG 4.39Å; F496-P536 HydrophobicContact CE1-CB 3.77Å; F496-P536 HydrophobicContact CE1-CG 3.82Å; F496-P536 HydrophobicContact CE2-CB 3.53Å; F496-P536 HydrophobicContact CE2-CG 3.52Å; F496-P536 HydrophobicContact CG-CB 4.18Å; F496-P536 HydrophobicContact CZ-CB 3.47Å; F496-P536 VanDerWaalsContact CZ-CB 3.47Å; F496-P536 HydrophobicContact CZ-CG 3.19Å; P536-N538 PolarHBondContact O-N 3.23Å; P536-L539 PolarHBondContact O-N 2.77Å; P536-L539 VanDerWaalsContact O-N 3.08Å; P536-Y575 WeakPolarHBondContact CD-OH 3.47Å; P536-Y575 HydrophobicContact CG-CE1 4.13Å; P536-Y575 WeakPolarHBondContact CG-OH 3.48Å; P536-I598 HydrophobicContact CG-CG1 4.29Å
537	E	88.1	Confident	90.1	Very high	77 Å²	77	38.4 Å²	38.4	36%	0.36	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-64.1	-24.8	179.9	-55.2	88.4	158.4	0	0	112.6	K535 V706	K535-E537 VanDerWaalsContact CB-OE2 3.28Å; K535-E537 WeakPolarHBondContact CB-OE2 3.19Å; K535-E537 WeakPolarHBondContact CD-OE2 3.47Å; K535-E537 HydrophobicContact CG-CB 4.33Å; K535-E537 WeakPolarHBondContact CG-OE2 3.4Å; K535-E537 PolarHBondContact O-N 3.12Å; E537-V706 WeakPolarHBondContact O-CG2 3.32Å
538	N	93.4	Very high	89.3	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.011	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-99.4	3.9	178.9	-66.2	-3.5	0	0	0	112.5	D533 K535 P536 G554 D555	D533-N538 PolarHBondContact O-ND2 2.69Å; D533-N538 PolarHBondContact OD2-ND2 3.42Å; D533-N538 VanDerWaalsContact OD2-ND2 3.12Å; K535-N538 WeakPolarHBondContact CE-OD1 3.46Å; K535-N538 HydrophobicContact CG-CB 4.06Å; K535-N538 PolarHBondContact O-N 3.17Å; P536-N538 PolarHBondContact O-N 3.23Å; N538-G554 PolarHBondContact O-N 3.4Å; N538-D555 HydrophobicContact CB-CB 4.38Å
539	L	94.3	Very high	88.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	100.8	177.9	-66.9	175.5	0	0	0	109.2	D494 L495 L517 K535 P536 L553 I598	D494-L539 CarbonylContact C-O 3.58Å; L495-L539 HydrophobicContact CB-CB 4.19Å; L495-L539 HydrophobicContact CD2-CB 4.33Å; L495-L539 HydrophobicContact CD2-CD1 3.88Å; L495-L539 PolarHBondContact N-O 2.86Å; L517-L539 HydrophobicContact CD1-CD1 4.46Å; L517-L539 HydrophobicContact CD1-CD2 3.89Å; L517-L539 HydrophobicContact CD2-CD1 4.08Å; K535-L539 WeakPolarHBondContact O-CG 3.47Å; K535-L539 PolarHBondContact O-N 2.99Å; P536-L539 PolarHBondContact O-N 2.77Å; P536-L539 VanDerWaalsContact O-N 3.08Å; L539-L553 HydrophobicContact CD2-CB 4.03Å; L539-L553 HydrophobicContact CD2-CD1 3.74Å; L539-L553 HydrophobicContact CD2-CG 4.48Å; L539-I598 HydrophobicContact CD1-CD1 3.72Å; L539-I598 HydrophobicContact CD1-CG2 4.33Å
540	L	92.4	Very high	88.2	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.7	-180	-57.6	-172.1	0	0	0	111.4	I471 V490 G493 D494 L551 K552 G703 V706	I471-L540 HydrophobicContact CD1-CD1 3.6Å; I471-L540 HydrophobicContact CD1-CG 4.22Å; V490-L540 HydrophobicContact CB-CB 4.09Å; V490-L540 HydrophobicContact CB-CD1 3.86Å; V490-L540 HydrophobicContact CG1-CB 3.71Å; V490-L540 HydrophobicContact CG1-CD1 4.37Å; V490-L540 HydrophobicContact CG2-CD1 4.47Å; G493-L540 WeakPolarHBondContact O-CA 3.42Å; D494-L540 HydrophobicContact CB-CD2 4.33Å; L540-L551 CarbonylContact O-C 3.48Å; L540-L551 WeakPolarHBondContact O-CA 3.49Å; L540-K552 PolarHBondContact N-O 3.18Å; L540-K552 PolarHBondContact O-N 3Å; L540-G703 VanDerWaalsContact CD1-CA 3.42Å; L540-V706 HydrophobicContact CD1-CB 4.19Å; L540-V706 HydrophobicContact CD1-CG2 4.2Å; L540-V706 HydrophobicContact CD2-CG2 3.65Å; L540-V706 HydrophobicContact CG-CB 4.43Å; L540-V706 HydrophobicContact CG-CG2 3.98Å
541	V	89.4	Confident	88	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	174.5	-173.4	0	0	0	0	109.6	V490 G492 G493 A498 K549 L551	V490-V541 VanDerWaalsContact CG1-O 3.23Å; V490-V541 WeakPolarHBondContact CG1-O 3.34Å; G492-V541 WeakPolarHBondContact CA-O 3.28Å; G492-V541 PolarHBondContact N-O 2.75Å; G493-V541 PolarHBondContact O-N 2.83Å; A498-V541 HydrophobicContact CB-CB 3.9Å; A498-V541 HydrophobicContact CB-CG1 4.19Å; A498-V541 HydrophobicContact CB-CG2 3.34Å; V541-K549 HydrophobicContact CG1-CB 3.92Å; V541-K549 HydrophobicContact CG1-CD 4.21Å; V541-K549 HydrophobicContact CG1-CG 4.22Å; V541-L551 HydrophobicContact CG2-CD2 3.7Å
542	F	88.2	Confident	87.9	Confident	63 Å²	63	44.2 Å²	44.2	28%	0.276	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.8	164.6	-172.5	-97.9	0	0	0	108.4	V490 D544 K549 S550 K552	V490-F542 HydrophobicContact CG1-CB 4.16Å; V490-F542 HydrophobicContact CG1-CD2 4.42Å; F542-D544 WeakPolarHBondContact CE1-OD1 3.14Å; F542-K549 WeakPolarHBondContact O-CA 3.42Å; F542-S550 PolarHBondContact N-O 2.88Å; F542-S550 PolarHBondContact O-N 3.3Å; F542-K552 HydrophobicContact CB-CD 4.02Å; F542-K552 HydrophobicContact CB-CG 4.5Å; F542-K552 HydrophobicContact CD2-CD 4.48Å; F542-K552 HydrophobicContact CG-CD 4.44Å
543	E	84.6	Confident	88	Confident	97 Å²	97	42.5 Å²	42.5	45%	0.453	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.9	175.9	-171.4	155.9	-167.6	0	0	107.2	F548 K549	E543-F548 CarbonylContact C-O 3.58Å; E543-F548 WeakPolarHBondContact CA-O 3.28Å; E543-K549 HydrophobicContact CB-CG 4.49Å; E543-K549 HydrophobicContact CG-CG 4.21Å; E543-K549 WeakPolarHBondContact OE1-CE 3.42Å; E543-K549 IonicContact OE1-NZ 2.74Å; E543-K549 PolarHBondContact OE1-NZ 3.17Å; E543-K549 VanDerWaalsContact OE2-CE 3.26Å; E543-K549 WeakPolarHBondContact OE2-CE 3.36Å; E543-K549 IonicContact OE2-NZ 3.78Å; E543-K549 PolarHBondContact OE2-NZ 3.33Å
544	D	78.5	Confident	88	Confident	58 Å²	58	42.5 Å²	42.5	31%	0.31	23%	0.227	S	C	.	.			trans	-64.4	154.9	177.5	-72.9	-79.2	0	0	0	110.3	F542 D546 G547 F548	F542-D544 WeakPolarHBondContact CE1-OD1 3.14Å; D544-D546 PolarHBondContact O-N 3.01Å; D544-G547 PolarHBondContact O-N 3.25Å; D544-F548 HydrophobicContact CB-CB 4.33Å; D544-F548 PolarHBondContact N-O 3.43Å
545	P	77.4	Confident	87.6	Confident	129 Å²	129	42.7 Å²	42.7	84%	0.838	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.7	178.6	-26.6	35.7	0	0	0	114.4	G547	P545-G547 VanDerWaalsContact C-N 3.26Å; P545-G547 PolarHBondContact O-N 3.26Å
546	D	77.7	Confident	87.5	Confident	139 Å²	139	42 Å²	42	74%	0.743	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	2.5	176.3	-59.3	-53.9	0	0	0	113.7	D544 F548	D544-D546 PolarHBondContact O-N 3.01Å; D546-F548 HydrophobicContact CB-CD2 3.86Å; D546-F548 HydrophobicContact CB-CE2 4.23Å
547	G	75.7	Confident	87.4	Confident	44 Å²	44	42.2 Å²	42.2	45%	0.454	23%	0.227	S	C	.	.	S	Bend	trans	81	6.5	-179.9	0	0	0	0	0	115.3	D544 P545	D544-G547 PolarHBondContact O-N 3.25Å; P545-G547 VanDerWaalsContact C-N 3.26Å; P545-G547 PolarHBondContact O-N 3.26Å
548	F	78.9	Confident	87.3	Confident	147 Å²	147	39.2 Å²	39.2	65%	0.645	21%	0.214	S	C	*	.			trans	-74.1	141.8	171.8	-71.9	-78.9	0	0	0	110.8	E543 D544 D546	E543-F548 CarbonylContact C-O 3.58Å; E543-F548 WeakPolarHBondContact CA-O 3.28Å; D544-F548 HydrophobicContact CB-CB 4.33Å; D544-F548 PolarHBondContact N-O 3.43Å; D546-F548 HydrophobicContact CB-CD2 3.86Å; D546-F548 HydrophobicContact CB-CE2 4.23Å
549	K	83.9	Confident	87.3	Confident	71 Å²	71	39.1 Å²	39.1	31%	0.309	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.5	179.1	-64.4	-172.1	-174.5	-130.4	0	110.2	V541 F542 E543	V541-K549 HydrophobicContact CG1-CB 3.92Å; V541-K549 HydrophobicContact CG1-CD 4.21Å; V541-K549 HydrophobicContact CG1-CG 4.22Å; F542-K549 WeakPolarHBondContact O-CA 3.42Å; E543-K549 HydrophobicContact CB-CG 4.49Å; E543-K549 HydrophobicContact CG-CG 4.21Å; E543-K549 WeakPolarHBondContact OE1-CE 3.42Å; E543-K549 IonicContact OE1-NZ 2.74Å; E543-K549 PolarHBondContact OE1-NZ 3.17Å; E543-K549 VanDerWaalsContact OE2-CE 3.26Å; E543-K549 WeakPolarHBondContact OE2-CE 3.36Å; E543-K549 IonicContact OE2-NZ 3.78Å; E543-K549 PolarHBondContact OE2-NZ 3.33Å
550	S	87.8	Confident	87.2	Confident	22 Å²	22	40.4 Å²	40.4	15%	0.154	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.6	177.4	58.8	0	0	0	0	111.2	N516 F542	N516-S550 VanDerWaalsContact OD1-CA 3.27Å; N516-S550 WeakPolarHBondContact OD1-CA 3.33Å; F542-S550 PolarHBondContact N-O 2.88Å; F542-S550 PolarHBondContact O-N 3.3Å
551	L	93.1	Very high	87.2	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	143.7	175.6	-60.4	-165.5	0	0	0	112.3	N469 L495 M513 N516 L540 V541	N469-L551 VanDerWaalsContact CA-O 3.26Å; N469-L551 WeakPolarHBondContact CA-O 3.39Å; N469-L551 VanDerWaalsContact CB-O 3.24Å; N469-L551 WeakPolarHBondContact CB-O 3.4Å; N469-L551 PolarHBondContact ND2-O 3.42Å; L495-L551 HydrophobicContact CD1-CD1 3.84Å; L495-L551 HydrophobicContact CD1-CD2 3.76Å; L495-L551 HydrophobicContact CD1-CG 4.46Å; M513-L551 HydrophobicContact CB-CD1 3.81Å; M513-L551 HydrophobicContact CB-CG 4.12Å; M513-L551 HydrophobicContact CG-CD1 4.19Å; M513-L551 HydrophobicContact CG-CD2 4.1Å; M513-L551 HydrophobicContact CG-CG 4.09Å; M513-L551 WeakPolarHBondContact O-CD1 3.48Å; N516-L551 HydrophobicContact CB-CB 3.86Å; N516-L551 HydrophobicContact CB-CG 4.42Å; N516-L551 PolarHBondContact OD1-N 3.35Å; L540-L551 CarbonylContact O-C 3.48Å; L540-L551 WeakPolarHBondContact O-CA 3.49Å; V541-L551 HydrophobicContact CG2-CD2 3.7Å
552	K	95	Very high	87.4	Confident	11 Å²	11	44.1 Å²	44.1	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.9	168.6	-74.7	175	175.5	-75.6	0	110.3	P468 N469 I471 E488 V490 L540 F542	P468-K552 PolarHBondContact O-NZ 2.65Å; N469-K552 WeakPolarHBondContact O-CA 2.94Å; I471-K552 HydrophobicContact CG1-CB 4.11Å; E488-K552 WeakPolarHBondContact OE1-CE 3.49Å; E488-K552 IonicContact OE1-NZ 3.36Å; E488-K552 PolarHBondContact OE1-NZ 2.63Å; E488-K552 WeakPolarHBondContact OE2-CE 3.29Å; E488-K552 IonicContact OE2-NZ 2.67Å; E488-K552 PolarHBondContact OE2-NZ 3.28Å; V490-K552 HydrophobicContact CG1-CD 4.49Å; V490-K552 HydrophobicContact CG2-CB 4.44Å; V490-K552 HydrophobicContact CG2-CD 3.51Å; L540-K552 PolarHBondContact N-O 3.18Å; L540-K552 PolarHBondContact O-N 3Å; F542-K552 HydrophobicContact CB-CD 4.02Å; F542-K552 HydrophobicContact CB-CG 4.5Å; F542-K552 HydrophobicContact CD2-CD 4.48Å; F542-K552 HydrophobicContact CG-CD 4.44Å
553	L	96.8	Very high	87.5	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.9	173.5	174.1	63.3	0	0	0	111.1	N469 I470 I471 A520 L524 I534 L539	N469-L553 PolarHBondContact O-N 3.39Å; I470-L553 CarbonylContact C-O 3.56Å; I470-L553 WeakPolarHBondContact CA-O 3.26Å; I470-L553 HydrophobicContact CG1-CB 4.47Å; I470-L553 WeakPolarHBondContact CG2-O 3.36Å; I471-L553 PolarHBondContact N-O 2.89Å; A520-L553 HydrophobicContact CB-CD2 4.49Å; L524-L553 HydrophobicContact CD1-CD2 3.96Å; I534-L553 HydrophobicContact CD1-CD1 3.59Å; I534-L553 HydrophobicContact CD1-CD2 3.59Å; I534-L553 HydrophobicContact CD1-CG 4.26Å; L539-L553 HydrophobicContact CD2-CB 4.03Å; L539-L553 HydrophobicContact CD2-CD1 3.74Å; L539-L553 HydrophobicContact CD2-CG 4.48Å
554	G	93.3	Very high	87.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.01	27%	0.267	C	S	.	.			trans	-143.1	-168.3	173	0	0	0	0	0	113.5	H531 N538	H531-G554 PolarHBondContact CE1-O 3.33Å; H531-G554 VanDerWaalsContact CE1-O 3.25Å; H531-G554 PolarHBondContact NE2-O 3Å; N538-G554 PolarHBondContact O-N 3.4Å
555	D	88.3	Confident	88.1	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.043	28%	0.281	C	S	.	.			trans	61	70.2	-175.8	-164.7	-18.9	0	0	0	113.8	H531 N538 G557 V706 N709 K714	H531-D555 PolarHBondContact CE1-O 3.42Å; H531-D555 PolarHBondContact NE2-O 2.83Å; N538-D555 HydrophobicContact CB-CB 4.38Å; D555-G557 PolarHBondContact O-N 2.83Å; D555-G557 PolarHBondContact OD1-N 3.2Å; D555-V706 HydrophobicContact CB-CG1 3.93Å; D555-N709 VanDerWaalsContact OD2-CB 3.3Å; D555-N709 WeakPolarHBondContact OD2-CB 3.45Å; D555-N709 PolarHBondContact OD2-ND2 3.33Å; D555-K714 VanDerWaalsContact CG-CE 3.46Å; D555-K714 VanDerWaalsContact CG-NZ 3.28Å; D555-K714 WeakPolarHBondContact OD1-CE 3.47Å; D555-K714 IonicContact OD1-NZ 3.41Å; D555-K714 PolarHBondContact OD1-NZ 3.44Å; D555-K714 WeakPolarHBondContact OD2-CE 3.47Å; D555-K714 IonicContact OD2-NZ 3.65Å; D555-K714 PolarHBondContact OD2-NZ 2.95Å
556	F	91.6	Very high	88.5	Confident	4 Å²	4	44 Å²	44	2%	0.018	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-78.6	13.6	176.9	-71.8	-95.2	0	0	0	113.4	V461 L462 V465 I470 L524 H531 L558 A559	V461-F556 HydrophobicContact CG1-CB 4.27Å; V461-F556 HydrophobicContact CG1-CD1 3.54Å; V461-F556 HydrophobicContact CG1-CE1 4.29Å; V461-F556 HydrophobicContact CG1-CG 4.19Å; L462-F556 HydrophobicContact CD2-CB 4.18Å; L462-F556 HydrophobicContact CD2-CD2 3.65Å; L462-F556 HydrophobicContact CD2-CE2 4.35Å; L462-F556 HydrophobicContact CD2-CG 4.01Å; L462-F556 HydrophobicContact CG-CB 4.35Å; V465-F556 HydrophobicContact CG1-CE1 4.42Å; V465-F556 HydrophobicContact CG1-CZ 4.18Å; I470-F556 HydrophobicContact CD1-CZ 4.39Å; I470-F556 HydrophobicContact CG2-CE2 3.55Å; I470-F556 HydrophobicContact CG2-CZ 3.47Å; I470-F556 VanDerWaalsContact CG2-CZ 3.47Å; L524-F556 HydrophobicContact CD1-CE1 3.91Å; L524-F556 HydrophobicContact CD1-CZ 4.28Å; L524-F556 HydrophobicContact CD2-CE1 3.88Å; L524-F556 HydrophobicContact CD2-CZ 4.43Å; H531-F556 AromaticContact CD2-CD1 3.74Å; H531-F556 AromaticContact CD2-CE1 3.54Å; H531-F556 AromaticContact CD2-CZ 3.92Å; H531-F556 AromaticContact NE2-CD1 3.95Å; H531-F556 AromaticContact NE2-CE1 3.95Å; F556-L558 PolarHBondContact O-N 3.02Å; F556-L558 VanDerWaalsContact O-N 3.14Å; F556-A559 HydrophobicContact CB-CB 3.95Å; F556-A559 HydrophobicContact CD1-CB 3.63Å; F556-A559 HydrophobicContact CG-CB 4.26Å; F556-A559 WeakPolarHBondContact O-CB 3.47Å; F556-A559 PolarHBondContact O-N 2.84Å
557	G	86.7	Confident	88.9	Confident	5 Å²	5	43.5 Å²	43.5	5%	0.052	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.5	-176.7	0	0	0	0	0	114.7	D555 A711	D555-G557 PolarHBondContact O-N 2.83Å; D555-G557 PolarHBondContact OD1-N 3.2Å; G557-A711 WeakPolarHBondContact O-CA 3.42Å; G557-A711 VanDerWaalsContact O-CB 3.24Å; G557-A711 WeakPolarHBondContact O-CB 3.46Å
558	L	87	Confident	89.3	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.073	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-107.7	1.5	169.2	-73.9	-177.9	0	0	0	114	H531 R532 D533 F556 C570 K714	H531-L558 CarbonylContact O-C 3.6Å; R532-L558 HydrophobicContact CB-CB 4.38Å; R532-L558 PolarHBondContact NE-O 3.1Å; R532-L558 PolarHBondContact NH2-O 2.96Å; D533-L558 HydrophobicContact CB-CB 4.4Å; D533-L558 HydrophobicContact CB-CD1 4.16Å; F556-L558 PolarHBondContact O-N 3.02Å; F556-L558 VanDerWaalsContact O-N 3.14Å; L558-C570 HydrophobicContact CD1-CB 4.15Å; L558-C570 HydrophobicContact CD2-CB 4.48Å; L558-K714 HydrophobicContact CD1-CB 4.33Å; L558-K714 HydrophobicContact CD1-CD 4.48Å; L558-K714 HydrophobicContact CD2-CB 3.69Å; L558-K714 HydrophobicContact CD2-CG 4.35Å; L558-K714 HydrophobicContact CG-CB 3.78Å; L558-K714 HydrophobicContact CG-CD 4.27Å; L558-K714 HydrophobicContact CG-CG 3.93Å
559	A	93.1	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.			trans	-72	150.3	-177.7	0	0	0	0	0	112.3	N457 V461 I529 V530 F556	N457-A559 PolarHBondContact ND2-O 3.5Å; V461-A559 HydrophobicContact CG1-CB 4.04Å; V461-A559 HydrophobicContact CG2-CB 4.48Å; I529-A559 HydrophobicContact CG2-CB 4.39Å; V530-A559 VanDerWaalsContact O-CA 3.24Å; V530-A559 WeakPolarHBondContact O-CA 3.18Å; F556-A559 HydrophobicContact CB-CB 3.95Å; F556-A559 HydrophobicContact CD1-CB 3.63Å; F556-A559 HydrophobicContact CG-CB 4.26Å; F556-A559 WeakPolarHBondContact O-CB 3.47Å; F556-A559 PolarHBondContact O-N 2.84Å
560	T	91.4	Very high	89.5	Confident	27 Å²	27	35.7 Å²	35.7	17%	0.166	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	165.7	177	-161.4	0	0	0	0	112.5	I529 V530 L566	I529-T560 WeakPolarHBondContact CA-O 3.49Å; V530-T560 HydrophobicContact CG1-CG2 3.88Å; V530-T560 PolarHBondContact N-O 2.64Å; V530-T560 PolarHBondContact O-N 3.02Å; V530-T560 VanDerWaalsContact O-N 3.08Å; T560-L566 HydrophobicContact CG2-CD1 3.7Å
561	V	92.9	Very high	89.3	Confident	53 Å²	53	34.6 Å²	34.6	32%	0.321	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.9	175.7	-177.7	0	0	0	0	109.8	N528 I529 E563	N528-V561 CarbonylContact O-C 3.59Å; N528-V561 WeakPolarHBondContact O-CA 3.27Å; I529-V561 HydrophobicContact CG1-CG2 4.25Å; V561-E563 HydrophobicContact CG1-CG 4.32Å; V561-E563 PolarHBondContact O-N 3.42Å
562	V	92.9	Very high	88.9	Confident	27 Å²	27	35.6 Å²	35.6	16%	0.164	20%	0.2	C	C	.	.			trans	-91.7	92	-179.3	-173.9	0	0	0	0	109.9	N528 V530 G564 L566 L588	N528-V562 PolarHBondContact O-N 3.43Å; V530-V562 HydrophobicContact CB-CG2 3.71Å; V530-V562 HydrophobicContact CG1-CG2 3.5Å; V562-G564 WeakPolarHBondContact CG1-O 3.32Å; V562-L566 HydrophobicContact CG2-CD1 4.29Å; V562-L588 HydrophobicContact CB-CD2 4.28Å; V562-L588 HydrophobicContact CG2-CD2 3.72Å; V562-L588 HydrophobicContact CG2-CG 4.31Å
563	E	90.6	Very high	88.4	Confident	189 Å²	189	36.5 Å²	36.5	88%	0.883	21%	0.207	S	C	*	.	S	Bend	trans	-86.6	-15	170.7	-58.9	-168.5	156.7	0	0	112.9	V561	V561-E563 HydrophobicContact CG1-CG 4.32Å; V561-E563 PolarHBondContact O-N 3.42Å
564	G	87.6	Confident	88.1	Confident	34 Å²	34	38.2 Å²	38.2	35%	0.351	22%	0.218	S	C	.	.	S	Bend	trans	-174.7	-174.1	179.5	0	0	0	0	0	111.3	V562 L566	V562-G564 WeakPolarHBondContact CG1-O 3.32Å; G564-L566 PolarHBondContact O-N 3.34Å
565	P	88.3	Confident	88.2	Confident	91 Å²	91	38.7 Å²	38.7	59%	0.591	22%	0.219	S	C	*	.			trans	-59.6	128	179.1	-23.4	34.3	0	0	0	112.1	F567 Y586	P565-F567 HydrophobicContact CB-CE2 3.97Å; P565-F567 HydrophobicContact CB-CZ 3.99Å; P565-F567 WeakPolarHBondContact O-CD2 3.42Å; P565-F567 WeakPolarHBondContact O-CE2 3.4Å; P565-Y586 WeakPolarHBondContact CA-O 3.35Å
566	L	86.1	Confident	88.4	Confident	32 Å²	32	38.5 Å²	38.5	17%	0.168	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-91.7	146.6	175.6	-60.3	178.5	0	0	0	110.4	V530 T560 V562 G564 G585 Y586	V530-L566 HydrophobicContact CG1-CD1 3.76Å; T560-L566 HydrophobicContact CG2-CD1 3.7Å; V562-L566 HydrophobicContact CG2-CD1 4.29Å; G564-L566 PolarHBondContact O-N 3.34Å; L566-G585 CarbonylContact O-C 3.59Å; L566-G585 VanDerWaalsContact O-CA 3.3Å; L566-G585 WeakPolarHBondContact O-CA 3.38Å; L566-Y586 HydrophobicContact CB-CD1 4.27Å; L566-Y586 HydrophobicContact CB-CD2 4.01Å; L566-Y586 HydrophobicContact CB-CE1 3.93Å; L566-Y586 HydrophobicContact CB-CE2 3.62Å; L566-Y586 HydrophobicContact CB-CG 4.31Å; L566-Y586 HydrophobicContact CD1-CD2 4.46Å; L566-Y586 HydrophobicContact CD1-CE2 3.8Å; L566-Y586 HydrophobicContact CG-CE2 4.33Å; L566-Y586 PolarHBondContact N-O 3.21Å; L566-Y586 WeakPolarHBondContact O-CD1 3.27Å; L566-Y586 WeakPolarHBondContact O-CE1 3.34Å; L566-Y586 PolarHBondContact O-N 2.73Å
567	F	86.1	Confident	88.7	Confident	127 Å²	127	38.3 Å²	38.3	56%	0.557	22%	0.218	S	C	*	.			trans	-126.3	-3.3	-177	-62.1	-87.3	0	0	0	113.9	P565 V569 G585	P565-F567 HydrophobicContact CB-CE2 3.97Å; P565-F567 HydrophobicContact CB-CZ 3.99Å; P565-F567 WeakPolarHBondContact O-CD2 3.42Å; P565-F567 WeakPolarHBondContact O-CE2 3.4Å; F567-V569 PolarHBondContact O-N 3.25Å; F567-G585 VanDerWaalsContact CE1-CA 3.41Å
568	T	83.3	Confident	89.1	Confident	65 Å²	65	38.2 Å²	38.2	40%	0.399	22%	0.216	S	C	.	.			trans	-68.8	113.3	177	-46	0	0	0	0	110	C570 Y586 Q718	T568-C570 HydrophobicContact CG2-CB 4.5Å; T568-C570 PolarHBondContact O-N 2.77Å; T568-Y586 VanDerWaalsContact O-CE1 3.27Å; T568-Y586 WeakPolarHBondContact O-CE1 3.39Å; T568-Y586 PolarHBondContact O-OH 3.47Å; T568-Q718 HydrophobicContact CG2-CG 4.43Å
569	V	83.9	Confident	89.6	Confident	32 Å²	32	38.3 Å²	38.3	19%	0.194	22%	0.216	C	C	.	.			trans	-71.8	112.9	173.5	-156.7	0	0	0	0	108.1	F567 I580 E583 Q718 L719	F567-V569 PolarHBondContact O-N 3.25Å; V569-I580 HydrophobicContact CB-CG2 4.39Å; V569-I580 HydrophobicContact CG1-CG2 3.79Å; V569-E583 HydrophobicContact CG2-CG 3.78Å; V569-Q718 CarbonylContact O-C 3.56Å; V569-Q718 WeakPolarHBondContact O-CA 3.45Å; V569-L719 HydrophobicContact CB-CB 4.15Å; V569-L719 HydrophobicContact CG1-CB 3.67Å; V569-L719 HydrophobicContact CG1-CD1 4.07Å; V569-L719 HydrophobicContact CG1-CG 4.45Å; V569-L719 PolarHBondContact O-N 3.45Å
570	C	83.8	Confident	89.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-155.9	168.2	-177.8	64	0	0	0	0	112.5	L558 T568 L717	L558-C570 HydrophobicContact CD1-CB 4.15Å; L558-C570 HydrophobicContact CD2-CB 4.48Å; T568-C570 HydrophobicContact CG2-CB 4.5Å; T568-C570 PolarHBondContact O-N 2.77Å; C570-L717 VanDerWaalsContact CA-O 3.26Å; C570-L717 WeakPolarHBondContact CA-O 3.41Å; C570-L717 WeakPolarHBondContact CB-O 3.32Å
571	G	83.8	Confident	89.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	103.6	170.9	179.3	0	0	0	0	0	113.2	L717	G571-L717 PolarHBondContact N-O 3.36Å
572	T	84.3	Confident	89	Confident	25 Å²	25	38.9 Å²	38.9	15%	0.153	22%	0.224	C	C	.	.			trans	-80.8	118.9	-172.4	-57.8	0	0	0	0	110.9	D533 K535 T574 Y575	D533-T572 PolarHBondContact OD1-OG1 2.6Å; K535-T572 HydrophobicContact CD-CG2 4.25Å; K535-T572 VanDerWaalsContact CD-OG1 3.28Å; K535-T572 WeakPolarHBondContact CD-OG1 3.34Å; K535-T572 PolarHBondContact NZ-OG1 3.29Å; T572-T574 VanDerWaalsContact C-N 3.33Å; T572-T574 PolarHBondContact O-N 3.49Å; T572-Y575 HydrophobicContact CG2-CD2 3.92Å; T572-Y575 HydrophobicContact CG2-CE2 4.03Å; T572-Y575 PolarHBondContact O-N 3.15Å
573	P	85.7	Confident	88.9	Confident	30 Å²	30	44.1 Å²	44.1	20%	0.195	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-44.5	-42.3	-161.9	-35.2	34.8	0	0	0	117.8	Y575 V576 L619 F620 L719	P573-Y575 PolarHBondContact O-N 2.91Å; P573-V576 PolarHBondContact O-N 2.73Å; P573-L619 HydrophobicContact CB-CD2 4.24Å; P573-F620 HydrophobicContact CB-CE1 4Å; P573-F620 HydrophobicContact CB-CZ 4.45Å; P573-L719 HydrophobicContact CG-CD2 3.93Å
574	T	89.5	Confident	88.5	Confident	38 Å²	38	38.9 Å²	38.9	23%	0.233	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.9	-178.9	-46	0	0	0	0	113.9	T572 P607	T572-T574 VanDerWaalsContact C-N 3.33Å; T572-T574 PolarHBondContact O-N 3.49Å; T574-P607 HydrophobicContact CG2-CB 3.62Å; T574-P607 HydrophobicContact CG2-CG 4.12Å
575	Y	94.9	Very high	88.5	Confident	10 Å²	10	38 Å²	38	4%	0.039	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-108.9	-3.1	-172.3	-49.1	-81.9	0	0	0	113.1	K535 P536 T572 P573 A594 V597 I598 I601	K535-Y575 HydrophobicContact CB-CD2 3.77Å; K535-Y575 HydrophobicContact CB-CE2 3.76Å; K535-Y575 HydrophobicContact CB-CG 4.2Å; P536-Y575 WeakPolarHBondContact CD-OH 3.47Å; P536-Y575 HydrophobicContact CG-CE1 4.13Å; P536-Y575 WeakPolarHBondContact CG-OH 3.48Å; T572-Y575 HydrophobicContact CG2-CD2 3.92Å; T572-Y575 HydrophobicContact CG2-CE2 4.03Å; T572-Y575 PolarHBondContact O-N 3.15Å; P573-Y575 PolarHBondContact O-N 2.91Å; Y575-A594 WeakPolarHBondContact O-CB 3.46Å; Y575-V597 HydrophobicContact CD1-CB 4.1Å; Y575-V597 HydrophobicContact CD1-CG1 3.45Å; Y575-V597 VanDerWaalsContact CD1-CG1 3.45Å; Y575-V597 HydrophobicContact CE1-CG1 3.84Å; Y575-V597 HydrophobicContact CG-CG1 4.39Å; Y575-I598 HydrophobicContact CD1-CG1 4.07Å; Y575-I598 HydrophobicContact CE1-CG1 4.04Å; Y575-I601 HydrophobicContact CE1-CD1 3.69Å
576	V	93.9	Very high	88.8	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.024	20%	0.197	C	C	.	.			trans	-75.1	138.8	-174.5	170	0	0	0	0	111	P573 I580 I581 W593 L719	P573-V576 PolarHBondContact O-N 2.73Å; V576-I580 HydrophobicContact CG1-CB 3.71Å; V576-I580 HydrophobicContact CG1-CD1 4.03Å; V576-I580 HydrophobicContact CG1-CG1 4.41Å; V576-I580 HydrophobicContact CG1-CG2 3.79Å; V576-I581 HydrophobicContact CG1-CD1 4.34Å; V576-I581 HydrophobicContact CG1-CG1 3.82Å; V576-W593 PolarHBondContact O-NE1 3.37Å; V576-L719 HydrophobicContact CG1-CD1 4.25Å; V576-L719 HydrophobicContact CG2-CD1 4.06Å
577	A	96.4	Very high	89.2	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.008	20%	0.199	C	C	.	.			trans	-79.6	148.6	-177.8	0	0	0	0	0	112.4	E579 I580 I581 V590 W593	A577-E579 VanDerWaalsContact C-N 3.28Å; A577-E579 WeakPolarHBondContact CB-OE2 3.37Å; A577-E579 PolarHBondContact O-N 3.03Å; A577-I580 HydrophobicContact CB-CD1 4.25Å; A577-I580 HydrophobicContact CB-CG1 4.35Å; A577-I580 WeakPolarHBondContact O-CB 3.33Å; A577-I580 PolarHBondContact O-N 2.98Å; A577-I581 PolarHBondContact O-N 3.18Å; A577-V590 HydrophobicContact CB-CB 3.9Å; A577-V590 HydrophobicContact CB-CG1 3.84Å; A577-W593 VanDerWaalsContact CA-CD1 3.49Å; A577-W593 HydrophobicContact CB-CB 3.87Å; A577-W593 HydrophobicContact CB-CD2 4.44Å; A577-W593 HydrophobicContact CB-CG 3.81Å
578	P	96.5	Very high	89.8	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-32.4	-175	21.9	-32.4	0	0	0	113.5	I580 I581 A582 W593 I623 L624 V652	P578-I580 PolarHBondContact O-N 3.46Å; P578-I581 PolarHBondContact O-N 3.07Å; P578-A582 VanDerWaalsContact O-CB 3.29Å; P578-A582 WeakPolarHBondContact O-CB 3.35Å; P578-A582 PolarHBondContact O-N 2.71Å; P578-W593 HydrophobicContact CG-CE3 4.26Å; P578-W593 HydrophobicContact CG-CH2 4.03Å; P578-W593 HydrophobicContact CG-CZ2 4.4Å; P578-W593 HydrophobicContact CG-CZ3 3.95Å; P578-I623 HydrophobicContact CB-CG2 4.16Å; P578-L624 HydrophobicContact CB-CD2 4.13Å; P578-V652 HydrophobicContact CB-CG1 4.13Å; P578-V652 HydrophobicContact CG-CB 4.36Å; P578-V652 HydrophobicContact CG-CG1 3.94Å
579	E	95.8	Very high	90.5	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-68.5	-18.9	175.9	66.3	-93.5	-143.6	0	0	114.3	A577 S584 V590 R657	A577-E579 VanDerWaalsContact C-N 3.28Å; A577-E579 WeakPolarHBondContact CB-OE2 3.37Å; A577-E579 PolarHBondContact O-N 3.03Å; E579-S584 WeakPolarHBondContact CA-OG 3.46Å; E579-S584 WeakPolarHBondContact CB-OG 3.32Å; E579-S584 PolarHBondContact O-N 2.88Å; E579-S584 PolarHBondContact O-OG 3.13Å; E579-V590 HydrophobicContact CG-CG1 4.07Å; E579-V590 WeakPolarHBondContact OE1-CG1 3.29Å; E579-R657 IonicContact OE1-CZ 3.88Å; E579-R657 IonicContact OE1-NH1 2.7Å; E579-R657 PolarHBondContact OE1-NH1 3.31Å; E579-R657 IonicContact OE1-NH2 2.72Å; E579-R657 PolarHBondContact OE1-NH2 2.73Å; E579-R657 IonicContact OE2-CZ 2.89Å; E579-R657 IonicContact OE2-NH1 2.69Å; E579-R657 PolarHBondContact OE2-NH1 2.83Å; E579-R657 IonicContact OE2-NH2 3.82Å; E579-R657 PolarHBondContact OE2-NH2 3.09Å
580	I	90.6	Very high	91.2	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-76.7	-48.1	171.2	-58.4	175.9	0	0	0	109	V569 V576 A577 P578 A582 E583 Y586 V590	V569-I580 HydrophobicContact CB-CG2 4.39Å; V569-I580 HydrophobicContact CG1-CG2 3.79Å; V576-I580 HydrophobicContact CG1-CB 3.71Å; V576-I580 HydrophobicContact CG1-CD1 4.03Å; V576-I580 HydrophobicContact CG1-CG1 4.41Å; V576-I580 HydrophobicContact CG1-CG2 3.79Å; A577-I580 HydrophobicContact CB-CD1 4.25Å; A577-I580 HydrophobicContact CB-CG1 4.35Å; A577-I580 WeakPolarHBondContact O-CB 3.33Å; A577-I580 PolarHBondContact O-N 2.98Å; P578-I580 PolarHBondContact O-N 3.46Å; I580-A582 VanDerWaalsContact C-N 3.3Å; I580-A582 PolarHBondContact O-N 3.39Å; I580-E583 PolarHBondContact O-N 3.31Å; I580-Y586 HydrophobicContact CB-CD1 4.39Å; I580-Y586 HydrophobicContact CG1-CD1 3.73Å; I580-Y586 HydrophobicContact CG1-CD2 4.23Å; I580-Y586 HydrophobicContact CG1-CE1 4.02Å; I580-Y586 HydrophobicContact CG1-CE2 4.5Å; I580-Y586 HydrophobicContact CG1-CG 3.85Å; I580-Y586 HydrophobicContact CG2-CE1 4.32Å; I580-V590 HydrophobicContact CD1-CB 3.89Å; I580-V590 HydrophobicContact CD1-CG1 3.78Å; I580-V590 HydrophobicContact CD1-CG2 4.28Å; I580-V590 HydrophobicContact CG1-CB 4.5Å; I580-V590 HydrophobicContact CG1-CG1 3.84Å
581	I	89.1	Confident	91.9	Very high	30 Å²	30	27.3 Å²	27.3	15%	0.154	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-34.6	179.9	-55	175.7	0	0	0	111.3	V576 A577 P578 E583 F620 I623 L624	V576-I581 HydrophobicContact CG1-CD1 4.34Å; V576-I581 HydrophobicContact CG1-CG1 3.82Å; A577-I581 PolarHBondContact O-N 3.18Å; P578-I581 PolarHBondContact O-N 3.07Å; I581-E583 VanDerWaalsContact C-N 3.26Å; I581-E583 PolarHBondContact O-N 2.99Å; I581-F620 HydrophobicContact CD1-CB 4.33Å; I581-F620 HydrophobicContact CD1-CD1 3.6Å; I581-F620 HydrophobicContact CD1-CE1 4.01Å; I581-F620 HydrophobicContact CD1-CG 4.05Å; I581-F620 HydrophobicContact CG1-CD1 4.41Å; I581-F620 HydrophobicContact CG1-CE1 4.5Å; I581-F620 HydrophobicContact CG2-CB 4.14Å; I581-F620 HydrophobicContact CG2-CD2 4.26Å; I581-F620 HydrophobicContact CG2-CG 4.15Å; I581-I623 HydrophobicContact CD1-CB 3.96Å; I581-I623 HydrophobicContact CD1-CD1 4.13Å; I581-I623 HydrophobicContact CD1-CG2 3.53Å; I581-L624 HydrophobicContact CB-CD2 4.11Å; I581-L624 HydrophobicContact CB-CG 4.42Å; I581-L624 HydrophobicContact CG2-CD1 3.91Å; I581-L624 HydrophobicContact CG2-CD2 4.16Å; I581-L624 HydrophobicContact CG2-CG 4.06Å
582	A	86.4	Confident	92.6	Very high	57 Å²	57	27.4 Å²	27.4	47%	0.471	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.6	177.6	0	0	0	0	0	114.3	P578 I580 S584 L624	P578-A582 VanDerWaalsContact O-CB 3.29Å; P578-A582 WeakPolarHBondContact O-CB 3.35Å; P578-A582 PolarHBondContact O-N 2.71Å; I580-A582 VanDerWaalsContact C-N 3.3Å; I580-A582 PolarHBondContact O-N 3.39Å; A582-S584 PolarHBondContact O-N 3.28Å; A582-L624 HydrophobicContact CB-CD2 4.05Å
583	E	89.8	Confident	93.3	Very high	136 Å²	136	26.2 Å²	26.2	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	22.9	-175.2	-65.2	179.6	-152.8	0	0	113.9	V569 I580 I581 G585	V569-E583 HydrophobicContact CG2-CG 3.78Å; I580-E583 PolarHBondContact O-N 3.31Å; I581-E583 VanDerWaalsContact C-N 3.26Å; I581-E583 PolarHBondContact O-N 2.99Å; E583-G585 PolarHBondContact O-N 3.14Å; E583-G585 VanDerWaalsContact O-N 3.15Å
584	S	83.6	Confident	93.9	Very high	79 Å²	79	25.1 Å²	25.1	55%	0.552	15%	0.151	S	C	*	.	S	Bend	trans	-76.6	-3.9	-168.7	55.7	0	0	0	0	114.7	E579 A582	E579-S584 WeakPolarHBondContact CA-OG 3.46Å; E579-S584 WeakPolarHBondContact CB-OG 3.32Å; E579-S584 PolarHBondContact O-N 2.88Å; E579-S584 PolarHBondContact O-OG 3.13Å; A582-S584 PolarHBondContact O-N 3.28Å
585	G	87	Confident	94.3	Very high	17 Å²	17	23.4 Å²	23.4	18%	0.175	14%	0.141	C	C	.	.			trans	88.2	134.3	-163.6	0	0	0	0	0	110.9	L566 F567 E583	L566-G585 CarbonylContact O-C 3.59Å; L566-G585 VanDerWaalsContact O-CA 3.3Å; L566-G585 WeakPolarHBondContact O-CA 3.38Å; F567-G585 VanDerWaalsContact CE1-CA 3.41Å; E583-G585 PolarHBondContact O-N 3.14Å; E583-G585 VanDerWaalsContact O-N 3.15Å
586	Y	93.8	Very high	94.5	Very high	12 Å²	12	23 Å²	23	5%	0.047	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-139.6	173.3	-178.2	69.4	-96.5	0	0	0	113.2	R532 P565 L566 T568 I580 V590	R532-Y586 VanDerWaalsContact CD-OH 3.3Å; R532-Y586 WeakPolarHBondContact CD-OH 3.2Å; R532-Y586 HydrophobicContact CG-CE2 4.32Å; R532-Y586 PolarHBondContact NH1-OH 3.41Å; P565-Y586 WeakPolarHBondContact CA-O 3.35Å; L566-Y586 HydrophobicContact CB-CD1 4.27Å; L566-Y586 HydrophobicContact CB-CD2 4.01Å; L566-Y586 HydrophobicContact CB-CE1 3.93Å; L566-Y586 HydrophobicContact CB-CE2 3.62Å; L566-Y586 HydrophobicContact CB-CG 4.31Å; L566-Y586 HydrophobicContact CD1-CD2 4.46Å; L566-Y586 HydrophobicContact CD1-CE2 3.8Å; L566-Y586 HydrophobicContact CG-CE2 4.33Å; L566-Y586 PolarHBondContact N-O 3.21Å; L566-Y586 WeakPolarHBondContact O-CD1 3.27Å; L566-Y586 WeakPolarHBondContact O-CE1 3.34Å; L566-Y586 PolarHBondContact O-N 2.73Å; T568-Y586 VanDerWaalsContact O-CE1 3.27Å; T568-Y586 WeakPolarHBondContact O-CE1 3.39Å; T568-Y586 PolarHBondContact O-OH 3.47Å; I580-Y586 HydrophobicContact CB-CD1 4.39Å; I580-Y586 HydrophobicContact CG1-CD1 3.73Å; I580-Y586 HydrophobicContact CG1-CD2 4.23Å; I580-Y586 HydrophobicContact CG1-CE1 4.02Å; I580-Y586 HydrophobicContact CG1-CE2 4.5Å; I580-Y586 HydrophobicContact CG1-CG 3.85Å; I580-Y586 HydrophobicContact CG2-CE1 4.32Å; Y586-V590 HydrophobicContact CD2-CG1 3.7Å; Y586-V590 HydrophobicContact CD2-CG2 4.2Å; Y586-V590 HydrophobicContact CG-CG1 3.98Å
587	G	95.1	Very high	94.7	Very high	20 Å²	20	22.8 Å²	22.8	21%	0.206	14%	0.138	C	C	.	.			trans	-158.1	-155.1	178.2	0	0	0	0	0	112.1	K589 V590	G587-K589 PolarHBondContact O-N 3.04Å; G587-V590 WeakPolarHBondContact O-CG1 3.48Å; G587-V590 WeakPolarHBondContact O-CG2 3.32Å; G587-V590 PolarHBondContact O-N 3.32Å
588	L	98.1	Very high	94.7	Very high	39 Å²	39	22.8 Å²	22.8	20%	0.204	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-36	-170.9	-57	172.6	0	0	0	115.4	H525 I529 V530 V562 V590 D591	H525-L588 HydrophobicContact CB-CD1 4.08Å; H525-L588 PolarHBondContact CE1-O 2.97Å; H525-L588 PolarHBondContact NE2-O 3.23Å; I529-L588 WeakPolarHBondContact O-CD2 3.48Å; V530-L588 HydrophobicContact CB-CD2 4.15Å; V562-L588 HydrophobicContact CB-CD2 4.28Å; V562-L588 HydrophobicContact CG2-CD2 3.72Å; V562-L588 HydrophobicContact CG2-CG 4.31Å; L588-V590 PolarHBondContact O-N 2.67Å; L588-V590 VanDerWaalsContact O-N 3.09Å; L588-D591 PolarHBondContact O-N 3.33Å
589	K	98.4	Very high	94.8	Very high	46 Å²	46	22.6 Å²	22.6	20%	0.2	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.4	-175.4	-71.5	-172	-179.8	-170.2	0	115.7	G587 D591 I592 W593 A654 E655 R657	G587-K589 PolarHBondContact O-N 3.04Å; K589-D591 VanDerWaalsContact C-N 3.31Å; K589-I592 PolarHBondContact O-N 3.37Å; K589-W593 PolarHBondContact O-N 3Å; K589-A654 WeakPolarHBondContact CD-O 3.41Å; K589-A654 WeakPolarHBondContact CE-O 3.3Å; K589-A654 PolarHBondContact NZ-O 3.39Å; K589-E655 PolarHBondContact NZ-O 3.23Å; K589-R657 HydrophobicContact CD-CB 4.42Å; K589-R657 WeakPolarHBondContact CE-O 3.47Å; K589-R657 PolarHBondContact NZ-O 3.33Å; K589-R657 PolarHBondContact O-NH1 3.48Å
590	V	98.4	Very high	94.9	Very high	5 Å²	5	22 Å²	22	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-34.4	170.4	-57.5	0	0	0	0	111.7	V530 A577 E579 I580 Y586 G587 L588 I592 W593 A594	V530-V590 HydrophobicContact CG2-CG2 3.58Å; A577-V590 HydrophobicContact CB-CB 3.9Å; A577-V590 HydrophobicContact CB-CG1 3.84Å; E579-V590 HydrophobicContact CG-CG1 4.07Å; E579-V590 WeakPolarHBondContact OE1-CG1 3.29Å; I580-V590 HydrophobicContact CD1-CB 3.89Å; I580-V590 HydrophobicContact CD1-CG1 3.78Å; I580-V590 HydrophobicContact CD1-CG2 4.28Å; I580-V590 HydrophobicContact CG1-CB 4.5Å; I580-V590 HydrophobicContact CG1-CG1 3.84Å; Y586-V590 HydrophobicContact CD2-CG1 3.7Å; Y586-V590 HydrophobicContact CD2-CG2 4.2Å; Y586-V590 HydrophobicContact CG-CG1 3.98Å; G587-V590 WeakPolarHBondContact O-CG1 3.48Å; G587-V590 WeakPolarHBondContact O-CG2 3.32Å; G587-V590 PolarHBondContact O-N 3.32Å; L588-V590 PolarHBondContact O-N 2.67Å; L588-V590 VanDerWaalsContact O-N 3.09Å; V590-I592 PolarHBondContact O-N 2.99Å; V590-W593 WeakPolarHBondContact O-CB 3.25Å; V590-W593 PolarHBondContact O-N 3.05Å; V590-A594 PolarHBondContact O-N 2.83Å; V590-A594 VanDerWaalsContact O-N 3.15Å
591	D	98.7	Very high	95.1	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-29.2	177.4	-60	-31.9	0	0	0	111.5	L521 H525 V530 H531 R532 I534 L588 K589 A595	L521-D591 HydrophobicContact CD1-CB 4.03Å; L521-D591 HydrophobicContact CD2-CB 3.68Å; L521-D591 HydrophobicContact CG-CB 4.48Å; H525-D591 IonicContact CD2-OD2 2.82Å; H525-D591 IonicContact CE1-OD2 3.01Å; H525-D591 IonicContact NE2-OD2 2.75Å; H525-D591 PolarHBondContact NE2-OD2 3.44Å; V530-D591 WeakPolarHBondContact CA-OD2 3.36Å; V530-D591 WeakPolarHBondContact CG2-OD2 3.41Å; H531-D591 PolarHBondContact N-OD1 2.76Å; H531-D591 PolarHBondContact N-OD2 3.3Å; R532-D591 PolarHBondContact N-OD1 2.94Å; I534-D591 HydrophobicContact CG1-CB 3.99Å; L588-D591 PolarHBondContact O-N 3.33Å; K589-D591 VanDerWaalsContact C-N 3.31Å; D591-A595 WeakPolarHBondContact O-CB 3.39Å; D591-A595 PolarHBondContact O-N 3.2Å
592	I	98.8	Very high	95.3	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-72	-36.8	176.5	-51.1	-60.5	0	0	0	111.3	L521 K589 V590 A595 G596 M649 S658 A660 V663	L521-I592 HydrophobicContact CD1-CD1 4.15Å; K589-I592 PolarHBondContact O-N 3.37Å; V590-I592 PolarHBondContact O-N 2.99Å; I592-A595 PolarHBondContact O-N 3.32Å; I592-G596 PolarHBondContact O-N 2.87Å; I592-M649 HydrophobicContact CG2-CB 4.23Å; I592-M649 HydrophobicContact CG2-CE 4.19Å; I592-M649 HydrophobicContact CG2-CG 4.05Å; I592-S658 WeakPolarHBondContact CG2-O 3.17Å; I592-A660 HydrophobicContact CD1-CB 3.84Å; I592-V663 HydrophobicContact CG2-CG2 4.35Å
593	W	98.7	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-49.6	173	174.9	-84.1	0	0	0	110.4	V576 A577 P578 K589 V590 A595 G596 V597 F609 I623 L650	V576-W593 PolarHBondContact O-NE1 3.37Å; A577-W593 VanDerWaalsContact CA-CD1 3.49Å; A577-W593 HydrophobicContact CB-CB 3.87Å; A577-W593 HydrophobicContact CB-CD2 4.44Å; A577-W593 HydrophobicContact CB-CG 3.81Å; P578-W593 HydrophobicContact CG-CE3 4.26Å; P578-W593 HydrophobicContact CG-CH2 4.03Å; P578-W593 HydrophobicContact CG-CZ2 4.4Å; P578-W593 HydrophobicContact CG-CZ3 3.95Å; K589-W593 PolarHBondContact O-N 3Å; V590-W593 WeakPolarHBondContact O-CB 3.25Å; V590-W593 PolarHBondContact O-N 3.05Å; W593-A595 VanDerWaalsContact C-N 3.35Å; W593-A595 PolarHBondContact O-N 2.82Å; W593-G596 WeakPolarHBondContact O-CA 3.2Å; W593-G596 PolarHBondContact O-N 2.94Å; W593-V597 PolarHBondContact O-N 2.88Å; W593-F609 AromaticContact CH2-CE2 3.85Å; W593-F609 HydrophobicContact CH2-CE2 3.85Å; W593-F609 AromaticContact CH2-CZ 3.78Å; W593-F609 HydrophobicContact CH2-CZ 3.78Å; W593-F609 HydrophobicContact CZ2-CD2 4.13Å; W593-F609 AromaticContact CZ2-CE2 3.31Å; W593-F609 HydrophobicContact CZ2-CE2 3.31Å; W593-F609 AromaticContact CZ2-CZ 3.74Å; W593-F609 HydrophobicContact CZ2-CZ 3.74Å; W593-I623 HydrophobicContact CZ2-CG2 3.85Å; W593-L650 HydrophobicContact CD2-CD2 3.78Å; W593-L650 HydrophobicContact CE3-CB 4.41Å; W593-L650 HydrophobicContact CE3-CD2 3.96Å; W593-L650 HydrophobicContact CG-CD2 4.16Å; W593-L650 HydrophobicContact CZ2-CD2 4.42Å; W593-L650 VanDerWaalsContact CZ3-C 3.48Å; W593-L650 HydrophobicContact CZ3-CB 4.22Å; W593-L650 HydrophobicContact CZ3-CD2 4.37Å; W593-L650 WeakPolarHBondContact CZ3-O 3.39Å; W593-L650 WeakPolarHBondContact O-CD2 3.15Å
594	A	98.4	Very high	95.8	Very high	6 Å²	6	11.5 Å²	11.5	5%	0.05	7%	0.074	C	C	.	.	H	α-helix	trans	-59.2	-43.1	176.4	0	0	0	0	0	112.4	I534 Y575 V590 G596 V597 I598	I534-A594 HydrophobicContact CB-CB 3.67Å; I534-A594 HydrophobicContact CG2-CB 3.82Å; Y575-A594 WeakPolarHBondContact O-CB 3.46Å; V590-A594 PolarHBondContact O-N 2.83Å; V590-A594 VanDerWaalsContact O-N 3.15Å; A594-G596 VanDerWaalsContact C-N 3.28Å; A594-G596 PolarHBondContact O-N 3.23Å; A594-V597 WeakPolarHBondContact O-CB 3.3Å; A594-V597 PolarHBondContact O-N 2.89Å; A594-I598 WeakPolarHBondContact O-CG1 3.46Å; A594-I598 PolarHBondContact O-N 3.21Å
595	A	98.6	Very high	96.1	Very high	3 Å²	3	7.8 Å²	7.8	3%	0.025	5%	0.048	C	C	.	.	H	α-helix	trans	-62.3	-32.6	172.6	0	0	0	0	0	112.9	L517 L521 D591 I592 W593 I598 T599 M649	L517-A595 HydrophobicContact CD2-CB 3.67Å; L517-A595 HydrophobicContact CG-CB 4.18Å; L521-A595 HydrophobicContact CD1-CB 3.95Å; D591-A595 WeakPolarHBondContact O-CB 3.39Å; D591-A595 PolarHBondContact O-N 3.2Å; I592-A595 PolarHBondContact O-N 3.32Å; W593-A595 VanDerWaalsContact C-N 3.35Å; W593-A595 PolarHBondContact O-N 2.82Å; A595-I598 PolarHBondContact O-N 3.02Å; A595-T599 WeakPolarHBondContact O-CB 2.99Å; A595-T599 PolarHBondContact O-N 2.97Å; A595-T599 PolarHBondContact O-OG1 2.84Å; A595-M649 HydrophobicContact CB-CE 3.58Å
596	G	98.5	Very high	96.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.5	-41.1	173.4	0	0	0	0	0	112.6	I592 W593 A594 I598 T599 Y600	I592-G596 PolarHBondContact O-N 2.87Å; W593-G596 WeakPolarHBondContact O-CA 3.2Å; W593-G596 PolarHBondContact O-N 2.94Å; A594-G596 VanDerWaalsContact C-N 3.28Å; A594-G596 PolarHBondContact O-N 3.23Å; G596-I598 VanDerWaalsContact C-N 3.35Å; G596-T599 PolarHBondContact O-N 3.29Å; G596-Y600 PolarHBondContact O-N 2.88Å
597	V	98.3	Very high	96.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.9	-45.9	172.5	171.8	0	0	0	0	110.3	Y575 W593 A594 Y600 I601 P608 L650	Y575-V597 HydrophobicContact CD1-CB 4.1Å; Y575-V597 HydrophobicContact CD1-CG1 3.45Å; Y575-V597 VanDerWaalsContact CD1-CG1 3.45Å; Y575-V597 HydrophobicContact CE1-CG1 3.84Å; Y575-V597 HydrophobicContact CG-CG1 4.39Å; W593-V597 PolarHBondContact O-N 2.88Å; A594-V597 WeakPolarHBondContact O-CB 3.3Å; A594-V597 PolarHBondContact O-N 2.89Å; V597-Y600 PolarHBondContact O-N 3.38Å; V597-I601 HydrophobicContact CG1-CD1 3.93Å; V597-I601 WeakPolarHBondContact O-CD1 3.32Å; V597-I601 VanDerWaalsContact O-CG1 3.3Å; V597-I601 WeakPolarHBondContact O-CG1 3.44Å; V597-I601 PolarHBondContact O-N 3.3Å; V597-I601 VanDerWaalsContact O-N 3.08Å; V597-P608 HydrophobicContact CG1-CG 4.36Å; V597-P608 HydrophobicContact CG2-CG 4.22Å; V597-L650 HydrophobicContact CG2-CD2 3.86Å
598	I	96.9	Very high	96.4	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-63.7	-45.4	176.5	-64.8	170.1	0	0	0	110.9	L495 L517 I534 P536 L539 Y575 A594 A595 G596 Y600 I601 L602	L495-I598 HydrophobicContact CD2-CG2 3.73Å; L517-I598 HydrophobicContact CD2-CD1 4.43Å; I534-I598 HydrophobicContact CG2-CD1 3.72Å; P536-I598 HydrophobicContact CG-CG1 4.29Å; L539-I598 HydrophobicContact CD1-CD1 3.72Å; L539-I598 HydrophobicContact CD1-CG2 4.33Å; Y575-I598 HydrophobicContact CD1-CG1 4.07Å; Y575-I598 HydrophobicContact CE1-CG1 4.04Å; A594-I598 WeakPolarHBondContact O-CG1 3.46Å; A594-I598 PolarHBondContact O-N 3.21Å; A595-I598 PolarHBondContact O-N 3.02Å; G596-I598 VanDerWaalsContact C-N 3.35Å; I598-Y600 VanDerWaalsContact C-N 3.27Å; I598-Y600 PolarHBondContact O-N 3.17Å; I598-I601 PolarHBondContact O-N 3.19Å; I598-L602 HydrophobicContact CG2-CD1 4.26Å; I598-L602 HydrophobicContact CG2-CG 4.26Å; I598-L602 WeakPolarHBondContact O-CG 3.28Å; I598-L602 PolarHBondContact O-N 3.43Å
599	T	97.7	Very high	96.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-57.8	-39.3	177.7	-56.8	0	0	0	0	111.9	V514 A595 G596 I646 W668	V514-T599 HydrophobicContact CG2-CG2 3.93Å; V514-T599 WeakPolarHBondContact CG2-OG1 3.29Å; A595-T599 WeakPolarHBondContact O-CB 2.99Å; A595-T599 PolarHBondContact O-N 2.97Å; A595-T599 PolarHBondContact O-OG1 2.84Å; G596-T599 PolarHBondContact O-N 3.29Å; T599-I646 HydrophobicContact CG2-CD1 4.07Å; T599-I646 HydrophobicContact CG2-CG1 3.64Å; T599-W668 HydrophobicContact CG2-CH2 4.25Å; T599-W668 HydrophobicContact CG2-CZ3 4.11Å
600	Y	97.8	Very high	95.5	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-64.4	-47.1	173.3	-172.2	-76.8	0	0	0	111.6	G596 V597 I598 L602 L603 C604 F606 P608 L628 D629 F630 P631 W635 I646	G596-Y600 PolarHBondContact O-N 2.88Å; V597-Y600 PolarHBondContact O-N 3.38Å; I598-Y600 VanDerWaalsContact C-N 3.27Å; I598-Y600 PolarHBondContact O-N 3.17Å; Y600-L602 VanDerWaalsContact C-N 3.31Å; Y600-L602 PolarHBondContact O-N 3.35Å; Y600-L603 PolarHBondContact O-N 2.77Å; Y600-C604 WeakPolarHBondContact CE1-SG 3.23Å; Y600-C604 PolarHBondContact O-N 3.28Å; Y600-C604 PolarHBondContact O-SG 2.92Å; Y600-F606 VanDerWaalsContact CD1-O 3.23Å; Y600-F606 WeakPolarHBondContact CD1-O 3Å; Y600-F606 AromaticContact CE1-CD2 3.83Å; Y600-F606 HydrophobicContact CE1-CD2 3.83Å; Y600-F606 AromaticContact CE1-CE2 3.73Å; Y600-F606 HydrophobicContact CE1-CE2 3.73Å; Y600-F606 WeakPolarHBondContact CE1-O 3.45Å; Y600-P608 HydrophobicContact CD1-CB 3.79Å; Y600-P608 HydrophobicContact CD1-CG 4.15Å; Y600-P608 HydrophobicContact CD2-CB 3.85Å; Y600-P608 HydrophobicContact CE1-CB 3.89Å; Y600-P608 HydrophobicContact CE2-CB 3.93Å; Y600-P608 HydrophobicContact CG-CB 3.77Å; Y600-P608 HydrophobicContact CG-CG 4.07Å; Y600-L628 HydrophobicContact CD2-CD1 3.84Å; Y600-L628 HydrophobicContact CE2-CD1 3.71Å; Y600-D629 WeakPolarHBondContact CE2-O 3.43Å; Y600-D629 PolarHBondContact OH-O 3.01Å; Y600-F630 HydrophobicContact CD2-CD1 4.24Å; Y600-F630 AromaticContact CD2-CE1 3.9Å; Y600-F630 HydrophobicContact CD2-CE1 3.9Å; Y600-F630 AromaticContact CE2-CD1 3.72Å; Y600-F630 HydrophobicContact CE2-CD1 3.72Å; Y600-F630 AromaticContact CE2-CE1 3.82Å; Y600-F630 HydrophobicContact CE2-CE1 3.82Å; Y600-P631 WeakPolarHBondContact OH-CD 3.48Å; Y600-W635 AromaticContact CD1-CZ2 3.81Å; Y600-W635 HydrophobicContact CD1-CZ2 3.81Å; Y600-W635 AromaticContact CD2-CH2 3.81Å; Y600-W635 HydrophobicContact CD2-CH2 3.81Å; Y600-W635 AromaticContact CD2-CZ2 3.43Å; Y600-W635 HydrophobicContact CD2-CZ2 3.43Å; Y600-W635 VanDerWaalsContact CD2-CZ2 3.43Å; Y600-W635 AromaticContact CE1-CZ2 3.82Å; Y600-W635 HydrophobicContact CE1-CZ2 3.82Å; Y600-W635 AromaticContact CE2-CE2 3.8Å; Y600-W635 HydrophobicContact CE2-CH2 4.18Å; Y600-W635 AromaticContact CE2-CZ2 3.47Å; Y600-W635 HydrophobicContact CE2-CZ2 3.47Å; Y600-W635 VanDerWaalsContact CE2-CZ2 3.47Å; Y600-W635 AromaticContact CE2-NE1 3.99Å; Y600-W635 HydrophobicContact CG-CH2 4.07Å; Y600-W635 AromaticContact CG-CZ2 3.63Å; Y600-W635 HydrophobicContact CG-CZ2 3.63Å; Y600-W635 AromaticContact CZ-CE2 3.79Å; Y600-W635 AromaticContact CZ-CZ2 3.66Å; Y600-W635 AromaticContact CZ-NE1 3.56Å; Y600-W635 PolarHBondContact OH-NE1 3.49Å; Y600-I646 HydrophobicContact CD2-CD1 4.47Å; Y600-I646 HydrophobicContact CD2-CG2 4.16Å
601	I	95.1	Very high	94.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.7	-37.5	178.8	-61.1	156.6	0	0	0	112	F496 Y575 V597 I598 L603 G605 F606 P607 L687 F691	F496-I601 HydrophobicContact CE1-CG2 3.96Å; F496-I601 HydrophobicContact CE2-CG2 4.38Å; F496-I601 HydrophobicContact CZ-CB 4.41Å; F496-I601 HydrophobicContact CZ-CG2 3.48Å; F496-I601 VanDerWaalsContact CZ-CG2 3.48Å; Y575-I601 HydrophobicContact CE1-CD1 3.69Å; V597-I601 HydrophobicContact CG1-CD1 3.93Å; V597-I601 WeakPolarHBondContact O-CD1 3.32Å; V597-I601 VanDerWaalsContact O-CG1 3.3Å; V597-I601 WeakPolarHBondContact O-CG1 3.44Å; V597-I601 PolarHBondContact O-N 3.3Å; V597-I601 VanDerWaalsContact O-N 3.08Å; I598-I601 PolarHBondContact O-N 3.19Å; I601-L603 PolarHBondContact O-N 2.84Å; I601-G605 WeakPolarHBondContact O-CA 3.38Å; I601-G605 PolarHBondContact O-N 3.16Å; I601-F606 WeakPolarHBondContact CG1-O 3.42Å; I601-P607 HydrophobicContact CD1-CB 4.2Å; I601-P607 HydrophobicContact CG1-CB 4.14Å; I601-L687 HydrophobicContact CG2-CD1 3.98Å; I601-F691 HydrophobicContact CD1-CZ 4.04Å; I601-F691 HydrophobicContact CG1-CZ 4.43Å; I601-F691 HydrophobicContact CG2-CE2 3.81Å; I601-F691 HydrophobicContact CG2-CZ 4.09Å
602	L	93.4	Very high	93.6	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-58.7	-32.7	178.4	-71.6	176.7	0	0	0	112.6	L495 I499 Y505 A510 M513 V514 I598 Y600	L495-L602 HydrophobicContact CD1-CD2 4.05Å; L495-L602 HydrophobicContact CD2-CD2 4.03Å; L495-L602 HydrophobicContact CG-CD2 4.04Å; I499-L602 HydrophobicContact CD1-CD2 3.44Å; I499-L602 VanDerWaalsContact CD1-CD2 3.44Å; Y505-L602 WeakPolarHBondContact CE1-O 3.16Å; A510-L602 HydrophobicContact CB-CB 4.11Å; M513-L602 HydrophobicContact CB-CD1 4.22Å; M513-L602 HydrophobicContact SD-CD2 4.16Å; V514-L602 HydrophobicContact CG2-CD1 3.91Å; I598-L602 HydrophobicContact CG2-CD1 4.26Å; I598-L602 HydrophobicContact CG2-CG 4.26Å; I598-L602 WeakPolarHBondContact O-CG 3.28Å; I598-L602 PolarHBondContact O-N 3.43Å; Y600-L602 VanDerWaalsContact C-N 3.31Å; Y600-L602 PolarHBondContact O-N 3.35Å
603	L	93.8	Very high	92.6	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-92.7	-23.9	-172.7	-61.2	-178.5	0	0	0	114.7	E507 A510 Y600 I601 W635 I638 A642 I646 W668 M679 V683	E507-L603 HydrophobicContact CB-CD2 4.45Å; E507-L603 HydrophobicContact CG-CD2 3.92Å; A510-L603 HydrophobicContact CB-CD2 3.55Å; Y600-L603 PolarHBondContact O-N 2.77Å; I601-L603 PolarHBondContact O-N 2.84Å; L603-W635 HydrophobicContact CB-CH2 3.78Å; L603-W635 HydrophobicContact CB-CZ2 4.41Å; L603-W635 HydrophobicContact CB-CZ3 4.15Å; L603-W635 HydrophobicContact CD1-CH2 4.13Å; L603-W635 HydrophobicContact CD1-CZ3 4.05Å; L603-I638 HydrophobicContact CB-CD1 4.27Å; L603-I638 HydrophobicContact CD1-CG2 3.9Å; L603-A642 HydrophobicContact CD1-CB 3.64Å; L603-I646 HydrophobicContact CD1-CD1 4.17Å; L603-W668 HydrophobicContact CD1-CH2 4.43Å; L603-W668 HydrophobicContact CD1-CZ2 4.03Å; L603-W668 HydrophobicContact CD2-CH2 4.5Å; L603-W668 HydrophobicContact CD2-CZ2 4.06Å; L603-M679 HydrophobicContact CD2-SD 4.22Å; L603-V683 WeakPolarHBondContact O-CG2 3.4Å
604	C	91.9	Very high	91.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-125.9	-5.4	-179.2	68.8	0	0	0	0	114.7	Y600 F606 W635 K686	Y600-C604 WeakPolarHBondContact CE1-SG 3.23Å; Y600-C604 PolarHBondContact O-N 3.28Å; Y600-C604 PolarHBondContact O-SG 2.92Å; C604-F606 VanDerWaalsContact C-N 3.35Å; C604-F606 HydrophobicContact CB-CD1 4.05Å; C604-F606 HydrophobicContact CB-CE1 3.76Å; C604-F606 HydrophobicContact CB-CE2 4.32Å; C604-F606 HydrophobicContact CB-CG 4.46Å; C604-F606 HydrophobicContact CB-CZ 3.91Å; C604-F606 WeakPolarHBondContact O-CD1 3.4Å; C604-F606 WeakPolarHBondContact SG-CD2 3.3Å; C604-F606 VanDerWaalsContact SG-CG 3.59Å; C604-F606 PolarHBondContact SG-O 3.04Å; C604-W635 HydrophobicContact CB-CZ2 3.93Å; C604-K686 WeakPolarHBondContact O-CB 3.49Å
605	G	91.2	Very high	90.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	73.8	16.2	-177.1	0	0	0	0	0	115	I601 K686 L687	I601-G605 WeakPolarHBondContact O-CA 3.38Å; I601-G605 PolarHBondContact O-N 3.16Å; G605-K686 CarbonylContact O-C 3.55Å; G605-L687 WeakPolarHBondContact O-CA 3.4Å; G605-L687 PolarHBondContact O-N 2.99Å
606	F	91.6	Very high	89.6	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.026	18%	0.183	C	C	.	.	S	Bend	trans	-152	154.3	-177.9	62.1	-111.6	0	0	0	115	Y600 I601 C604 R610 P631 Y634 K686 H690	Y600-F606 VanDerWaalsContact CD1-O 3.23Å; Y600-F606 WeakPolarHBondContact CD1-O 3Å; Y600-F606 AromaticContact CE1-CD2 3.83Å; Y600-F606 HydrophobicContact CE1-CD2 3.83Å; Y600-F606 AromaticContact CE1-CE2 3.73Å; Y600-F606 HydrophobicContact CE1-CE2 3.73Å; Y600-F606 WeakPolarHBondContact CE1-O 3.45Å; I601-F606 WeakPolarHBondContact CG1-O 3.42Å; C604-F606 VanDerWaalsContact C-N 3.35Å; C604-F606 HydrophobicContact CB-CD1 4.05Å; C604-F606 HydrophobicContact CB-CE1 3.76Å; C604-F606 HydrophobicContact CB-CE2 4.32Å; C604-F606 HydrophobicContact CB-CG 4.46Å; C604-F606 HydrophobicContact CB-CZ 3.91Å; C604-F606 WeakPolarHBondContact O-CD1 3.4Å; C604-F606 WeakPolarHBondContact SG-CD2 3.3Å; C604-F606 VanDerWaalsContact SG-CG 3.59Å; C604-F606 PolarHBondContact SG-O 3.04Å; F606-R610 VanDerWaalsContact CD2-NH1 3.31Å; F606-P631 HydrophobicContact CE2-CG 4.35Å; F606-P631 HydrophobicContact CZ-CG 4.12Å; F606-Y634 HydrophobicContact CE1-CD1 4.21Å; F606-Y634 AromaticContact CE1-CD2 3.82Å; F606-Y634 HydrophobicContact CE1-CD2 3.82Å; F606-Y634 HydrophobicContact CE1-CE2 4.32Å; F606-Y634 AromaticContact CE1-CG 3.75Å; F606-Y634 HydrophobicContact CE1-CG 3.75Å; F606-Y634 AromaticContact CZ-CD2 3.79Å; F606-Y634 HydrophobicContact CZ-CD2 3.79Å; F606-Y634 HydrophobicContact CZ-CE2 4.46Å; F606-Y634 HydrophobicContact CZ-CG 4.03Å; F606-K686 HydrophobicContact CD1-CB 4.2Å; F606-K686 HydrophobicContact CD1-CD 4.3Å; F606-K686 HydrophobicContact CD1-CG 4.06Å; F606-H690 VanDerWaalsContact CB-CD2 3.43Å; F606-H690 WeakPolarHBondContact CB-CD2 2.79Å
607	P	93.6	Very high	88.9	Confident	12 Å²	12	44.6 Å²	44.6	8%	0.078	21%	0.21	C	C	.	.			trans	-75.1	147.4	-176.2	28.3	-34.8	0	0	0	113.7	T574 I601 F609 R610	T574-P607 HydrophobicContact CG2-CB 3.62Å; T574-P607 HydrophobicContact CG2-CG 4.12Å; I601-P607 HydrophobicContact CD1-CB 4.2Å; I601-P607 HydrophobicContact CG1-CB 4.14Å; P607-F609 PolarHBondContact O-N 3.36Å; P607-R610 HydrophobicContact CG-CG 3.94Å; P607-R610 PolarHBondContact O-NH2 3.48Å
608	P	95.6	Very high	88.3	Confident	18 Å²	18	46.8 Å²	46.8	12%	0.117	22%	0.221	C	C	.	.	S	Bend	trans	-66.4	-34.9	-178.7	24.9	-31.7	0	0	0	113	V597 Y600 L628 L650	V597-P608 HydrophobicContact CG1-CG 4.36Å; V597-P608 HydrophobicContact CG2-CG 4.22Å; Y600-P608 HydrophobicContact CD1-CB 3.79Å; Y600-P608 HydrophobicContact CD1-CG 4.15Å; Y600-P608 HydrophobicContact CD2-CB 3.85Å; Y600-P608 HydrophobicContact CE1-CB 3.89Å; Y600-P608 HydrophobicContact CE2-CB 3.93Å; Y600-P608 HydrophobicContact CG-CB 3.77Å; Y600-P608 HydrophobicContact CG-CG 4.07Å; P608-L628 HydrophobicContact CB-CD1 3.93Å; P608-L650 HydrophobicContact CB-CD1 4.35Å; P608-L650 HydrophobicContact CG-CD1 4.04Å
609	F	93.8	Very high	87.9	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.022	23%	0.225	C	C	.	.	S	Bend	trans	-107.9	134.8	177	-48.4	-69	0	0	0	109.6	W593 P607 L619 Q622 I623 L650	W593-F609 AromaticContact CH2-CE2 3.85Å; W593-F609 HydrophobicContact CH2-CE2 3.85Å; W593-F609 AromaticContact CH2-CZ 3.78Å; W593-F609 HydrophobicContact CH2-CZ 3.78Å; W593-F609 HydrophobicContact CZ2-CD2 4.13Å; W593-F609 AromaticContact CZ2-CE2 3.31Å; W593-F609 HydrophobicContact CZ2-CE2 3.31Å; W593-F609 AromaticContact CZ2-CZ 3.74Å; W593-F609 HydrophobicContact CZ2-CZ 3.74Å; P607-F609 PolarHBondContact O-N 3.36Å; F609-L619 HydrophobicContact CB-CD1 3.85Å; F609-Q622 HydrophobicContact CB-CB 4.32Å; F609-Q622 HydrophobicContact CD1-CB 4.24Å; F609-I623 HydrophobicContact CB-CG1 3.89Å; F609-I623 HydrophobicContact CD2-CG1 3.86Å; F609-I623 HydrophobicContact CG-CG1 3.87Å; F609-L650 HydrophobicContact CE2-CD1 4.37Å
610	R	84.9	Confident	87.5	Confident	93 Å²	93	49.7 Å²	49.7	35%	0.351	23%	0.234	S	C	.	.			trans	-146.8	155.6	175.9	-66.9	-170	-167.8	91	129.9	110.2	F606 P607 H690	F606-R610 VanDerWaalsContact CD2-NH1 3.31Å; P607-R610 HydrophobicContact CG-CG 3.94Å; P607-R610 PolarHBondContact O-NH2 3.48Å; R610-H690 PolarHBondContact NH1-CE1 2.82Å; R610-H690 PolarHBondContact NH1-NE2 2.75Å
611	S	81.3	Confident	87.1	Confident	12 Å²	12	55.5 Å²	55.5	8%	0.084	26%	0.261	C	S	.	.			trans	-94.3	139	153.4	163.4	0	0	0	0	109	N613 N614 R615 E618	S611-N613 PolarHBondContact O-N 2.86Å; S611-N613 PolarHBondContact OG-N 3.47Å; S611-N614 PolarHBondContact O-N 3.2Å; S611-N614 PolarHBondContact OG-N 3.01Å; S611-R615 WeakPolarHBondContact CB-O 3.04Å; S611-R615 PolarHBondContact OG-N 3.1Å; S611-R615 PolarHBondContact OG-O 3.27Å; S611-E618 PolarHBondContact OG-OE2 3.3Å
612	E	76.2	Confident	86.9	Confident	194 Å²	194	58.8 Å²	58.8	91%	0.907	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.4	175.1	-156.6	159.9	-133.5	0	0	112.1
613	N	77.2	Confident	86.9	Confident	99 Å²	99	58.6 Å²	58.6	53%	0.529	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	10.3	177.8	-58.1	-70.8	0	0	0	113.3	S611 R615 E618	S611-N613 PolarHBondContact O-N 2.86Å; S611-N613 PolarHBondContact OG-N 3.47Å; N613-R615 HydrophobicContact CB-CG 4.05Å; N613-R615 PolarHBondContact O-N 3.39Å; N613-R615 VanDerWaalsContact O-N 3.17Å; N613-E618 PolarHBondContact ND2-OE1 3.38Å; N613-E618 VanDerWaalsContact ND2-OE1 3.13Å; N613-E618 PolarHBondContact ND2-OE2 3.09Å
614	N	74.5	Confident	86.9	Confident	157 Å²	157	62.1 Å²	62.1	84%	0.84	29%	0.294	S	S	*	.			trans	52.9	26.3	-168.6	-64.3	-28.4	0	0	0	114.7	S611	S611-N614 PolarHBondContact O-N 3.2Å; S611-N614 PolarHBondContact OG-N 3.01Å
615	R	78.8	Confident	87	Confident	144 Å²	144	67.9 Å²	67.9	54%	0.543	32%	0.324	S	S	.	.			trans	-85.8	123.3	177.5	-76.1	168.7	170.6	173.1	-1.3	111.4	S611 N613 E617 E618 L619	S611-R615 WeakPolarHBondContact CB-O 3.04Å; S611-R615 PolarHBondContact OG-N 3.1Å; S611-R615 PolarHBondContact OG-O 3.27Å; N613-R615 HydrophobicContact CB-CG 4.05Å; N613-R615 PolarHBondContact O-N 3.39Å; N613-R615 VanDerWaalsContact O-N 3.17Å; R615-E617 VanDerWaalsContact C-N 3.26Å; R615-E617 PolarHBondContact O-N 2.87Å; R615-E618 HydrophobicContact CB-CB 4.27Å; R615-E618 HydrophobicContact CB-CG 4.08Å; R615-E618 WeakPolarHBondContact CD-OE1 3.34Å; R615-E618 IonicContact CZ-OE1 2.62Å; R615-E618 IonicContact NE-OE1 2.75Å; R615-E618 IonicContact NH1-OE1 2.71Å; R615-E618 PolarHBondContact NH1-OE1 2.74Å; R615-E618 PolarHBondContact O-N 2.68Å; R615-L619 PolarHBondContact O-N 3.2Å; R615-L619 VanDerWaalsContact O-N 3.13Å
616	Q	79.1	Confident	87.1	Confident	60 Å²	60	68.6 Å²	68.6	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-34.9	178.5	-169.3	174.9	8.3	0	0	113	L619 F620 L722	Q616-L619 PolarHBondContact O-N 3.24Å; Q616-F620 HydrophobicContact CG-CD1 4.45Å; Q616-F620 HydrophobicContact CG-CD2 4.15Å; Q616-F620 HydrophobicContact CG-CE1 4.1Å; Q616-F620 HydrophobicContact CG-CE2 3.75Å; Q616-F620 HydrophobicContact CG-CZ 3.75Å; Q616-F620 VanDerWaalsContact NE2-CZ 3.27Å; Q616-F620 WeakPolarHBondContact O-CB 3.24Å; Q616-F620 VanDerWaalsContact O-CG 3.3Å; Q616-F620 WeakPolarHBondContact O-CG 3.41Å; Q616-F620 PolarHBondContact O-N 2.94Å; Q616-L722 HydrophobicContact CB-CD2 4.32Å
617	E	83.8	Confident	87	Confident	124 Å²	124	73.9 Å²	73.9	58%	0.579	36%	0.355	S	S	*	.	H	α-helix	trans	-59.3	-50.4	175.1	-61.6	-178.8	158.7	0	0	111.8	R615 L619 F620 E621 L722	R615-E617 VanDerWaalsContact C-N 3.26Å; R615-E617 PolarHBondContact O-N 2.87Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.16Å; E617-F620 PolarHBondContact O-N 3.26Å; E617-E621 PolarHBondContact O-N 3.23Å; E617-L722 HydrophobicContact CG-CD1 4.12Å
618	E	86.7	Confident	87.1	Confident	47 Å²	47	75 Å²	75	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-38.1	179	-67.3	169.4	-165.7	0	0	111.5	S611 N613 R615 E621 Q622	S611-E618 PolarHBondContact OG-OE2 3.3Å; N613-E618 PolarHBondContact ND2-OE1 3.38Å; N613-E618 VanDerWaalsContact ND2-OE1 3.13Å; N613-E618 PolarHBondContact ND2-OE2 3.09Å; R615-E618 HydrophobicContact CB-CB 4.27Å; R615-E618 HydrophobicContact CB-CG 4.08Å; R615-E618 WeakPolarHBondContact CD-OE1 3.34Å; R615-E618 IonicContact CZ-OE1 2.62Å; R615-E618 IonicContact NE-OE1 2.75Å; R615-E618 IonicContact NH1-OE1 2.71Å; R615-E618 PolarHBondContact NH1-OE1 2.74Å; R615-E618 PolarHBondContact O-N 2.68Å; E618-E621 PolarHBondContact O-N 3.22Å; E618-Q622 WeakPolarHBondContact O-CG 3.16Å; E618-Q622 PolarHBondContact O-N 3.08Å; E618-Q622 VanDerWaalsContact O-N 3.1Å
619	L	87.9	Confident	87	Confident	20 Å²	20	78 Å²	78	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-44.8	174	173	63.4	0	0	0	111.8	P573 F609 R615 Q616 E617 Q622 I623	P573-L619 HydrophobicContact CB-CD2 4.24Å; F609-L619 HydrophobicContact CB-CD1 3.85Å; R615-L619 PolarHBondContact O-N 3.2Å; R615-L619 VanDerWaalsContact O-N 3.13Å; Q616-L619 PolarHBondContact O-N 3.24Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.16Å; L619-Q622 PolarHBondContact O-N 2.79Å; L619-I623 HydrophobicContact CD1-CD1 4.03Å; L619-I623 HydrophobicContact CD1-CG1 4.39Å; L619-I623 HydrophobicContact CG-CD1 4.01Å; L619-I623 WeakPolarHBondContact O-CG1 3.49Å; L619-I623 PolarHBondContact O-N 2.95Å
620	F	89.3	Confident	87.1	Confident	42 Å²	42	80.6 Å²	80.6	18%	0.184	39%	0.386	C	S	.	.	H	α-helix	trans	-66.6	-36.5	178.3	-72.2	-10.6	0	0	0	112.1	P573 I581 Q616 E617 I623 L624 L719	P573-F620 HydrophobicContact CB-CE1 4Å; P573-F620 HydrophobicContact CB-CZ 4.45Å; I581-F620 HydrophobicContact CD1-CB 4.33Å; I581-F620 HydrophobicContact CD1-CD1 3.6Å; I581-F620 HydrophobicContact CD1-CE1 4.01Å; I581-F620 HydrophobicContact CD1-CG 4.05Å; I581-F620 HydrophobicContact CG1-CD1 4.41Å; I581-F620 HydrophobicContact CG1-CE1 4.5Å; I581-F620 HydrophobicContact CG2-CB 4.14Å; I581-F620 HydrophobicContact CG2-CD2 4.26Å; I581-F620 HydrophobicContact CG2-CG 4.15Å; Q616-F620 HydrophobicContact CG-CD1 4.45Å; Q616-F620 HydrophobicContact CG-CD2 4.15Å; Q616-F620 HydrophobicContact CG-CE1 4.1Å; Q616-F620 HydrophobicContact CG-CE2 3.75Å; Q616-F620 HydrophobicContact CG-CZ 3.75Å; Q616-F620 VanDerWaalsContact NE2-CZ 3.27Å; Q616-F620 WeakPolarHBondContact O-CB 3.24Å; Q616-F620 VanDerWaalsContact O-CG 3.3Å; Q616-F620 WeakPolarHBondContact O-CG 3.41Å; Q616-F620 PolarHBondContact O-N 2.94Å; E617-F620 PolarHBondContact O-N 3.26Å; F620-I623 HydrophobicContact CD1-CD1 4.44Å; F620-I623 PolarHBondContact O-N 2.8Å; F620-L624 WeakPolarHBondContact O-CB 3.25Å; F620-L624 VanDerWaalsContact O-CG 3.28Å; F620-L624 WeakPolarHBondContact O-CG 3.44Å; F620-L624 PolarHBondContact O-N 2.91Å; F620-L719 HydrophobicContact CZ-CD1 4.19Å
621	E	90.1	Very high	87.6	Confident	125 Å²	125	78.6 Å²	78.6	58%	0.584	39%	0.385	S	S	*	.	H	α-helix	trans	-60.5	-43.9	170	-72.9	-174.6	168.8	0	0	111.9	E617 E618 L624 L625	E617-E621 PolarHBondContact O-N 3.23Å; E618-E621 PolarHBondContact O-N 3.22Å; E621-L624 PolarHBondContact O-N 3.4Å; E621-L625 WeakPolarHBondContact O-CB 3.5Å; E621-L625 VanDerWaalsContact O-CG 3.23Å; E621-L625 WeakPolarHBondContact O-CG 3.46Å; E621-L625 PolarHBondContact O-N 3.25Å
622	Q	91.2	Very high	88.1	Confident	69 Å²	69	81.9 Å²	81.9	32%	0.322	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176.3	-66.8	-53.1	-55.3	0	0	113	F609 E618 L619 L625 G626	F609-Q622 HydrophobicContact CB-CB 4.32Å; F609-Q622 HydrophobicContact CD1-CB 4.24Å; E618-Q622 WeakPolarHBondContact O-CG 3.16Å; E618-Q622 PolarHBondContact O-N 3.08Å; E618-Q622 VanDerWaalsContact O-N 3.1Å; L619-Q622 PolarHBondContact O-N 2.79Å; Q622-L625 PolarHBondContact O-N 2.91Å; Q622-G626 PolarHBondContact O-N 2.95Å
623	I	93.3	Very high	88.8	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-65.2	-44	177.1	-70	167.6	0	0	0	111.1	P578 I581 W593 F609 L619 F620 G626	P578-I623 HydrophobicContact CB-CG2 4.16Å; I581-I623 HydrophobicContact CD1-CB 3.96Å; I581-I623 HydrophobicContact CD1-CD1 4.13Å; I581-I623 HydrophobicContact CD1-CG2 3.53Å; W593-I623 HydrophobicContact CZ2-CG2 3.85Å; F609-I623 HydrophobicContact CB-CG1 3.89Å; F609-I623 HydrophobicContact CD2-CG1 3.86Å; F609-I623 HydrophobicContact CG-CG1 3.87Å; L619-I623 HydrophobicContact CD1-CD1 4.03Å; L619-I623 HydrophobicContact CD1-CG1 4.39Å; L619-I623 HydrophobicContact CG-CD1 4.01Å; L619-I623 WeakPolarHBondContact O-CG1 3.49Å; L619-I623 PolarHBondContact O-N 2.95Å; F620-I623 HydrophobicContact CD1-CD1 4.44Å; F620-I623 PolarHBondContact O-N 2.8Å; I623-G626 PolarHBondContact O-N 2.95Å
624	L	93.1	Very high	89.4	Confident	77 Å²	77	74.5 Å²	74.5	40%	0.403	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-33.8	178.3	-72.6	171.2	0	0	0	113	P578 I581 A582 F620 E621	P578-L624 HydrophobicContact CB-CD2 4.13Å; I581-L624 HydrophobicContact CB-CD2 4.11Å; I581-L624 HydrophobicContact CB-CG 4.42Å; I581-L624 HydrophobicContact CG2-CD1 3.91Å; I581-L624 HydrophobicContact CG2-CD2 4.16Å; I581-L624 HydrophobicContact CG2-CG 4.06Å; A582-L624 HydrophobicContact CB-CD2 4.05Å; F620-L624 WeakPolarHBondContact O-CB 3.25Å; F620-L624 VanDerWaalsContact O-CG 3.28Å; F620-L624 WeakPolarHBondContact O-CG 3.44Å; F620-L624 PolarHBondContact O-N 2.91Å; E621-L624 PolarHBondContact O-N 3.4Å
625	L	94.6	Very high	90.3	Very high	121 Å²	121	67.1 Å²	67.1	63%	0.634	34%	0.335	S	S	*	.	H	α-helix	trans	-71.9	-31	171.2	-71.9	169.4	0	0	0	112.3	E621 Q622 K627	E621-L625 WeakPolarHBondContact O-CB 3.5Å; E621-L625 VanDerWaalsContact O-CG 3.23Å; E621-L625 WeakPolarHBondContact O-CG 3.46Å; E621-L625 PolarHBondContact O-N 3.25Å; Q622-L625 PolarHBondContact O-N 2.91Å; L625-K627 PolarHBondContact O-N 3.48Å
626	G	91.9	Very high	90.9	Very high	15 Å²	15	64.6 Å²	64.6	16%	0.155	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	27.6	-179.9	0	0	0	0	0	114.5	Q622 I623 L628	Q622-G626 PolarHBondContact O-N 2.95Å; I623-G626 PolarHBondContact O-N 2.95Å; G626-L628 VanDerWaalsContact C-N 3.34Å; G626-L628 PolarHBondContact O-N 3.43Å
627	K	90.1	Very high	91.4	Very high	117 Å²	117	67.6 Å²	67.6	51%	0.509	35%	0.35	S	S	.	.			trans	-73.4	87	179.8	-171	-173.5	-176.5	-64.6	0	110.2	L625 D629	L625-K627 PolarHBondContact O-N 3.48Å; K627-D629 IonicContact NZ-OD1 2.94Å; K627-D629 PolarHBondContact NZ-OD1 3.38Å; K627-D629 IonicContact NZ-OD2 3.78Å; K627-D629 PolarHBondContact NZ-OD2 3.25Å; K627-D629 PolarHBondContact O-N 2.95Å
628	L	94.8	Very high	91.8	Very high	35 Å²	35	62.2 Å²	62.2	18%	0.183	33%	0.325	C	S	.	.			trans	-75.2	116.9	175.2	-180	61.5	0	0	0	110.8	Y600 P608 G626 F630 I646 L650	Y600-L628 HydrophobicContact CD2-CD1 3.84Å; Y600-L628 HydrophobicContact CE2-CD1 3.71Å; P608-L628 HydrophobicContact CB-CD1 3.93Å; G626-L628 VanDerWaalsContact C-N 3.34Å; G626-L628 PolarHBondContact O-N 3.43Å; L628-F630 HydrophobicContact CD1-CE1 4.43Å; L628-F630 HydrophobicContact CD1-CZ 4.4Å; L628-F630 HydrophobicContact CD2-CE1 4.41Å; L628-F630 HydrophobicContact CD2-CE2 4.01Å; L628-F630 HydrophobicContact CD2-CZ 3.64Å; L628-F630 HydrophobicContact CG-CE1 4.45Å; L628-F630 HydrophobicContact CG-CE2 4.13Å; L628-F630 HydrophobicContact CG-CZ 3.97Å; L628-I646 HydrophobicContact CD1-CG2 4.47Å; L628-I646 HydrophobicContact CD2-CG2 4.02Å; L628-L650 HydrophobicContact CD1-CD1 3.88Å; L628-L650 HydrophobicContact CD2-CB 4.34Å; L628-L650 HydrophobicContact CD2-CD1 4.31Å
629	D	94.5	Very high	92	Very high	83 Å²	83	61.8 Å²	61.8	44%	0.444	33%	0.326	S	S	.	.			trans	-114	146	172.9	-69.2	-34.9	0	0	0	111.4	Y600 K627 P631	Y600-D629 WeakPolarHBondContact CE2-O 3.43Å; Y600-D629 PolarHBondContact OH-O 3.01Å; K627-D629 IonicContact NZ-OD1 2.94Å; K627-D629 PolarHBondContact NZ-OD1 3.38Å; K627-D629 IonicContact NZ-OD2 3.78Å; K627-D629 PolarHBondContact NZ-OD2 3.25Å; K627-D629 PolarHBondContact O-N 2.95Å; D629-P631 VanDerWaalsContact O-CD 3.3Å; D629-P631 WeakPolarHBondContact O-CD 3.49Å
630	F	96.4	Very high	92.3	Very high	58 Å²	58	66.4 Å²	66.4	25%	0.254	35%	0.351	S	S	.	.			trans	-115.4	81	175.4	-63.3	-69.7	0	0	0	109.6	Y600 L628 W635 K643 I646	Y600-F630 HydrophobicContact CD2-CD1 4.24Å; Y600-F630 AromaticContact CD2-CE1 3.9Å; Y600-F630 HydrophobicContact CD2-CE1 3.9Å; Y600-F630 AromaticContact CE2-CD1 3.72Å; Y600-F630 HydrophobicContact CE2-CD1 3.72Å; Y600-F630 AromaticContact CE2-CE1 3.82Å; Y600-F630 HydrophobicContact CE2-CE1 3.82Å; L628-F630 HydrophobicContact CD1-CE1 4.43Å; L628-F630 HydrophobicContact CD1-CZ 4.4Å; L628-F630 HydrophobicContact CD2-CE1 4.41Å; L628-F630 HydrophobicContact CD2-CE2 4.01Å; L628-F630 HydrophobicContact CD2-CZ 3.64Å; L628-F630 HydrophobicContact CG-CE1 4.45Å; L628-F630 HydrophobicContact CG-CE2 4.13Å; L628-F630 HydrophobicContact CG-CZ 3.97Å; F630-W635 HydrophobicContact CB-CB 3.86Å; F630-W635 HydrophobicContact CB-CD2 4.15Å; F630-W635 HydrophobicContact CB-CG 3.79Å; F630-W635 AromaticContact CD1-CD2 3.55Å; F630-W635 HydrophobicContact CD1-CD2 3.55Å; F630-W635 AromaticContact CD1-CE2 3.84Å; F630-W635 AromaticContact CD1-CE3 3.51Å; F630-W635 HydrophobicContact CD1-CE3 3.51Å; F630-W635 HydrophobicContact CD1-CG 4.12Å; F630-W635 HydrophobicContact CD1-CH2 4.13Å; F630-W635 HydrophobicContact CD1-CZ2 4.15Å; F630-W635 AromaticContact CD1-CZ3 3.8Å; F630-W635 HydrophobicContact CD1-CZ3 3.8Å; F630-W635 HydrophobicContact CE1-CD2 4.43Å; F630-W635 HydrophobicContact CE1-CE3 4.06Å; F630-W635 HydrophobicContact CE1-CH2 4.11Å; F630-W635 HydrophobicContact CE1-CZ2 4.45Å; F630-W635 AromaticContact CE1-CZ3 3.87Å; F630-W635 HydrophobicContact CE1-CZ3 3.87Å; F630-W635 HydrophobicContact CG-CD2 4.3Å; F630-W635 HydrophobicContact CG-CE3 4.38Å; F630-W635 HydrophobicContact CG-CG 4.46Å; F630-K643 HydrophobicContact CD1-CG 4.12Å; F630-K643 HydrophobicContact CD2-CB 4.31Å; F630-K643 HydrophobicContact CD2-CG 4.36Å; F630-K643 HydrophobicContact CE1-CB 4.17Å; F630-K643 HydrophobicContact CE1-CG 4.08Å; F630-K643 HydrophobicContact CE2-CB 3.87Å; F630-K643 HydrophobicContact CE2-CG 4.34Å; F630-K643 HydrophobicContact CG-CD 4.43Å; F630-K643 HydrophobicContact CG-CG 4.24Å; F630-K643 HydrophobicContact CZ-CB 3.78Å; F630-K643 HydrophobicContact CZ-CG 4.18Å; F630-K643 WeakPolarHBondContact CZ-O 3.3Å; F630-I646 HydrophobicContact CE1-CB 4.49Å; F630-I646 HydrophobicContact CE1-CD1 4.3Å; F630-I646 HydrophobicContact CE1-CG2 4.42Å; F630-I646 HydrophobicContact CZ-CB 4.37Å; F630-I646 HydrophobicContact CZ-CG2 4.42Å
631	P	94.4	Very high	92.6	Very high	51 Å²	51	66.3 Å²	66.3	33%	0.331	36%	0.355	S	S	.	.			trans	-75.9	133.2	-168.4	28.7	-36	0	0	0	114	Y600 F606 D629 Y634 W635	Y600-P631 WeakPolarHBondContact OH-CD 3.48Å; F606-P631 HydrophobicContact CE2-CG 4.35Å; F606-P631 HydrophobicContact CZ-CG 4.12Å; D629-P631 VanDerWaalsContact O-CD 3.3Å; D629-P631 WeakPolarHBondContact O-CD 3.49Å; P631-Y634 HydrophobicContact CG-CD2 4.4Å; P631-Y634 WeakPolarHBondContact O-CD2 3.4Å; P631-Y634 PolarHBondContact O-N 2.96Å; P631-W635 PolarHBondContact O-N 3.24Å
632	S	92.1	Very high	92.9	Very high	82 Å²	82	60.4 Å²	60.4	57%	0.573	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	149.9	167.4	-56.5	0	0	0	0	112.3	Y634 D636	S632-Y634 VanDerWaalsContact C-N 3.34Å; S632-D636 VanDerWaalsContact CA-OD1 3.32Å; S632-D636 WeakPolarHBondContact CA-OD1 3.3Å; S632-D636 WeakPolarHBondContact CB-OD1 3.48Å; S632-D636 PolarHBondContact OG-OD1 3.1Å
633	P	91.5	Very high	93.2	Very high	70 Å²	70	58.7 Å²	58.7	46%	0.455	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	cis	-79.8	-11.2	-2.2	33.6	-36.2	0	0	0	114	W635 D636	P633-W635 PolarHBondContact O-N 2.98Å; P633-D636 WeakPolarHBondContact CA-OD2 3.23Å; P633-D636 WeakPolarHBondContact O-CB 3.17Å; P633-D636 PolarHBondContact O-N 2.98Å
634	Y	89.7	Confident	93.4	Very high	67 Å²	67	61.4 Å²	61.4	26%	0.263	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.1	-164.9	-44.6	-70.3	0	0	0	114.7	F606 P631 S632 E682 K686	F606-Y634 HydrophobicContact CE1-CD1 4.21Å; F606-Y634 AromaticContact CE1-CD2 3.82Å; F606-Y634 HydrophobicContact CE1-CD2 3.82Å; F606-Y634 HydrophobicContact CE1-CE2 4.32Å; F606-Y634 AromaticContact CE1-CG 3.75Å; F606-Y634 HydrophobicContact CE1-CG 3.75Å; F606-Y634 AromaticContact CZ-CD2 3.79Å; F606-Y634 HydrophobicContact CZ-CD2 3.79Å; F606-Y634 HydrophobicContact CZ-CE2 4.46Å; F606-Y634 HydrophobicContact CZ-CG 4.03Å; P631-Y634 HydrophobicContact CG-CD2 4.4Å; P631-Y634 WeakPolarHBondContact O-CD2 3.4Å; P631-Y634 PolarHBondContact O-N 2.96Å; S632-Y634 VanDerWaalsContact C-N 3.34Å; Y634-E682 HydrophobicContact CD1-CG 4.45Å; Y634-E682 WeakPolarHBondContact CD1-OE1 3.13Å; Y634-K686 PolarHBondContact OH-NZ 2.95Å
635	W	93.8	Very high	93.6	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.011	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	2.2	-179.4	-71.6	89.9	0	0	0	114.2	Y600 L603 C604 F630 P631 P633 N637 I638 K643 I646	Y600-W635 AromaticContact CD1-CZ2 3.81Å; Y600-W635 HydrophobicContact CD1-CZ2 3.81Å; Y600-W635 AromaticContact CD2-CH2 3.81Å; Y600-W635 HydrophobicContact CD2-CH2 3.81Å; Y600-W635 AromaticContact CD2-CZ2 3.43Å; Y600-W635 HydrophobicContact CD2-CZ2 3.43Å; Y600-W635 VanDerWaalsContact CD2-CZ2 3.43Å; Y600-W635 AromaticContact CE1-CZ2 3.82Å; Y600-W635 HydrophobicContact CE1-CZ2 3.82Å; Y600-W635 AromaticContact CE2-CE2 3.8Å; Y600-W635 HydrophobicContact CE2-CH2 4.18Å; Y600-W635 AromaticContact CE2-CZ2 3.47Å; Y600-W635 HydrophobicContact CE2-CZ2 3.47Å; Y600-W635 VanDerWaalsContact CE2-CZ2 3.47Å; Y600-W635 AromaticContact CE2-NE1 3.99Å; Y600-W635 HydrophobicContact CG-CH2 4.07Å; Y600-W635 AromaticContact CG-CZ2 3.63Å; Y600-W635 HydrophobicContact CG-CZ2 3.63Å; Y600-W635 AromaticContact CZ-CE2 3.79Å; Y600-W635 AromaticContact CZ-CZ2 3.66Å; Y600-W635 AromaticContact CZ-NE1 3.56Å; Y600-W635 PolarHBondContact OH-NE1 3.49Å; L603-W635 HydrophobicContact CB-CH2 3.78Å; L603-W635 HydrophobicContact CB-CZ2 4.41Å; L603-W635 HydrophobicContact CB-CZ3 4.15Å; L603-W635 HydrophobicContact CD1-CH2 4.13Å; L603-W635 HydrophobicContact CD1-CZ3 4.05Å; C604-W635 HydrophobicContact CB-CZ2 3.93Å; F630-W635 HydrophobicContact CB-CB 3.86Å; F630-W635 HydrophobicContact CB-CD2 4.15Å; F630-W635 HydrophobicContact CB-CG 3.79Å; F630-W635 AromaticContact CD1-CD2 3.55Å; F630-W635 HydrophobicContact CD1-CD2 3.55Å; F630-W635 AromaticContact CD1-CE2 3.84Å; F630-W635 AromaticContact CD1-CE3 3.51Å; F630-W635 HydrophobicContact CD1-CE3 3.51Å; F630-W635 HydrophobicContact CD1-CG 4.12Å; F630-W635 HydrophobicContact CD1-CH2 4.13Å; F630-W635 HydrophobicContact CD1-CZ2 4.15Å; F630-W635 AromaticContact CD1-CZ3 3.8Å; F630-W635 HydrophobicContact CD1-CZ3 3.8Å; F630-W635 HydrophobicContact CE1-CD2 4.43Å; F630-W635 HydrophobicContact CE1-CE3 4.06Å; F630-W635 HydrophobicContact CE1-CH2 4.11Å; F630-W635 HydrophobicContact CE1-CZ2 4.45Å; F630-W635 AromaticContact CE1-CZ3 3.87Å; F630-W635 HydrophobicContact CE1-CZ3 3.87Å; F630-W635 HydrophobicContact CG-CD2 4.3Å; F630-W635 HydrophobicContact CG-CE3 4.38Å; F630-W635 HydrophobicContact CG-CG 4.46Å; P631-W635 PolarHBondContact O-N 3.24Å; P633-W635 PolarHBondContact O-N 2.98Å; W635-N637 VanDerWaalsContact C-N 3.35Å; W635-N637 PolarHBondContact O-N 2.94Å; W635-I638 HydrophobicContact CD2-CG1 4.35Å; W635-I638 HydrophobicContact CE3-CB 3.82Å; W635-I638 HydrophobicContact CE3-CG1 3.9Å; W635-I638 HydrophobicContact CE3-CG2 3.73Å; W635-I638 HydrophobicContact CZ3-CB 4.29Å; W635-I638 HydrophobicContact CZ3-CG1 4.4Å; W635-I638 HydrophobicContact CZ3-CG2 3.69Å; W635-I638 PolarHBondContact O-N 2.9Å; W635-K643 HydrophobicContact CE3-CG 3.98Å; W635-K643 HydrophobicContact CZ3-CG 4.25Å; W635-K643 VanDerWaalsContact O-CE 3.25Å; W635-K643 WeakPolarHBondContact O-CE 3.45Å; W635-K643 PolarHBondContact O-NZ 3.08Å; W635-K643 VanDerWaalsContact O-NZ 3.09Å; W635-I646 HydrophobicContact CH2-CD1 3.58Å; W635-I646 HydrophobicContact CZ3-CD1 3.87Å
636	D	90.7	Very high	93.8	Very high	91 Å²	91	52 Å²	52	49%	0.487	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-33.6	-176.4	-62.2	-1.3	0	0	0	111.5	S632 P633	S632-D636 VanDerWaalsContact CA-OD1 3.32Å; S632-D636 WeakPolarHBondContact CA-OD1 3.3Å; S632-D636 WeakPolarHBondContact CB-OD1 3.48Å; S632-D636 PolarHBondContact OG-OD1 3.1Å; P633-D636 WeakPolarHBondContact CA-OD2 3.23Å; P633-D636 WeakPolarHBondContact O-CB 3.17Å; P633-D636 PolarHBondContact O-N 2.98Å
637	N	89.1	Confident	94.1	Very high	123 Å²	123	53.1 Å²	53.1	66%	0.658	29%	0.29	S	S	*	.	S	Bend	trans	-95.5	-3.5	-179.6	-62.5	-66	0	0	0	114.1	W635	W635-N637 VanDerWaalsContact C-N 3.35Å; W635-N637 PolarHBondContact O-N 2.94Å
638	I	91.9	Very high	94.5	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.051	29%	0.286	C	S	.	.	S	Bend	trans	-87	139.3	-178.8	-53.6	-60.3	0	0	0	109.4	L603 W635 A642 K643 M679	L603-I638 HydrophobicContact CB-CD1 4.27Å; L603-I638 HydrophobicContact CD1-CG2 3.9Å; W635-I638 HydrophobicContact CD2-CG1 4.35Å; W635-I638 HydrophobicContact CE3-CB 3.82Å; W635-I638 HydrophobicContact CE3-CG1 3.9Å; W635-I638 HydrophobicContact CE3-CG2 3.73Å; W635-I638 HydrophobicContact CZ3-CB 4.29Å; W635-I638 HydrophobicContact CZ3-CG1 4.4Å; W635-I638 HydrophobicContact CZ3-CG2 3.69Å; W635-I638 PolarHBondContact O-N 2.9Å; I638-A642 HydrophobicContact CG2-CB 3.87Å; I638-K643 WeakPolarHBondContact O-CE 3.46Å; I638-K643 PolarHBondContact O-NZ 3.25Å; I638-M679 HydrophobicContact CD1-CE 3.32Å; I638-M679 HydrophobicContact CD1-SD 4.5Å
639	T	92.7	Very high	94.7	Very high	39 Å²	39	51.5 Å²	51.5	24%	0.239	28%	0.278	C	S	.	.			trans	-64.8	146.5	-178.5	73.4	0	0	0	0	112.9	E507 S641 A642 K643	E507-T639 VanDerWaalsContact OE1-CB 3.32Å; E507-T639 WeakPolarHBondContact OE1-CB 3.23Å; E507-T639 VanDerWaalsContact OE1-CG2 3.27Å; E507-T639 WeakPolarHBondContact OE1-CG2 3.38Å; E507-T639 PolarHBondContact OE1-N 3.15Å; E507-T639 PolarHBondContact OE1-OG1 2.91Å; E507-T639 PolarHBondContact OE2-N 2.88Å; T639-S641 PolarHBondContact O-N 2.92Å; T639-A642 WeakPolarHBondContact O-CB 3.43Å; T639-A642 PolarHBondContact O-N 2.79Å; T639-A642 VanDerWaalsContact O-N 3.13Å; T639-A642 PolarHBondContact OG1-N 3.44Å; T639-K643 PolarHBondContact O-N 2.96Å
640	D	94	Very high	94.9	Very high	117 Å²	117	47.8 Å²	47.8	63%	0.626	26%	0.258	S	S	*	.	H	α-helix	trans	-68	-18	174.8	-58	-41.6	0	0	0	112.4	K643 D644	D640-K643 PolarHBondContact O-N 2.92Å; D640-K643 WeakPolarHBondContact OD1-CD 3.45Å; D640-K643 WeakPolarHBondContact OD1-CE 3.32Å; D640-K643 IonicContact OD1-NZ 2.74Å; D640-K643 PolarHBondContact OD1-NZ 2.74Å; D640-D644 WeakPolarHBondContact O-CB 3.33Å; D640-D644 PolarHBondContact O-N 2.97Å
641	S	95.1	Very high	95	Very high	40 Å²	40	48.8 Å²	48.8	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-37.5	171.5	-156.3	0	0	0	0	111.8	T639 L645 H666	T639-S641 PolarHBondContact O-N 2.92Å; S641-L645 PolarHBondContact O-N 2.93Å; S641-H666 VanDerWaalsContact CA-CE1 3.45Å; S641-H666 WeakPolarHBondContact CA-CE1 3.43Å; S641-H666 PolarHBondContact O-CE1 3.44Å; S641-H666 PolarHBondContact OG-CE1 2.7Å
642	A	95.7	Very high	95.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-45.4	171	0	0	0	0	0	111.6	L603 I638 T639 D644 L645 I646 W668	L603-A642 HydrophobicContact CD1-CB 3.64Å; I638-A642 HydrophobicContact CG2-CB 3.87Å; T639-A642 WeakPolarHBondContact O-CB 3.43Å; T639-A642 PolarHBondContact O-N 2.79Å; T639-A642 VanDerWaalsContact O-N 3.13Å; T639-A642 PolarHBondContact OG1-N 3.44Å; A642-D644 PolarHBondContact O-N 3.29Å; A642-L645 PolarHBondContact O-N 3.45Å; A642-I646 VanDerWaalsContact O-CG1 3.32Å; A642-I646 WeakPolarHBondContact O-CG1 3.39Å; A642-I646 PolarHBondContact O-N 3.21Å; A642-W668 HydrophobicContact CB-CD2 4.25Å; A642-W668 HydrophobicContact CB-CG 4.26Å; A642-W668 HydrophobicContact CB-CZ2 4.25Å
643	K	97.3	Very high	95.3	Very high	34 Å²	34	48.9 Å²	48.9	15%	0.148	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-41.3	179.7	-60.7	170.6	-153.5	158.2	0	111.4	F630 W635 I638 T639 D640 S647	F630-K643 HydrophobicContact CD1-CG 4.12Å; F630-K643 HydrophobicContact CD2-CB 4.31Å; F630-K643 HydrophobicContact CD2-CG 4.36Å; F630-K643 HydrophobicContact CE1-CB 4.17Å; F630-K643 HydrophobicContact CE1-CG 4.08Å; F630-K643 HydrophobicContact CE2-CB 3.87Å; F630-K643 HydrophobicContact CE2-CG 4.34Å; F630-K643 HydrophobicContact CG-CD 4.43Å; F630-K643 HydrophobicContact CG-CG 4.24Å; F630-K643 HydrophobicContact CZ-CB 3.78Å; F630-K643 HydrophobicContact CZ-CG 4.18Å; F630-K643 WeakPolarHBondContact CZ-O 3.3Å; W635-K643 HydrophobicContact CE3-CG 3.98Å; W635-K643 HydrophobicContact CZ3-CG 4.25Å; W635-K643 VanDerWaalsContact O-CE 3.25Å; W635-K643 WeakPolarHBondContact O-CE 3.45Å; W635-K643 PolarHBondContact O-NZ 3.08Å; W635-K643 VanDerWaalsContact O-NZ 3.09Å; I638-K643 WeakPolarHBondContact O-CE 3.46Å; I638-K643 PolarHBondContact O-NZ 3.25Å; T639-K643 PolarHBondContact O-N 2.96Å; D640-K643 PolarHBondContact O-N 2.92Å; D640-K643 WeakPolarHBondContact OD1-CD 3.45Å; D640-K643 WeakPolarHBondContact OD1-CE 3.32Å; D640-K643 IonicContact OD1-NZ 2.74Å; D640-K643 PolarHBondContact OD1-NZ 2.74Å; K643-S647 VanDerWaalsContact O-CB 3.29Å; K643-S647 WeakPolarHBondContact O-CB 3.25Å; K643-S647 PolarHBondContact O-N 3.27Å; K643-S647 PolarHBondContact O-OG 3.02Å
644	D	97.7	Very high	95.5	Very high	56 Å²	56	47 Å²	47	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-48.5	173.4	174.6	43.9	0	0	0	111.8	D640 A642 I646 S647 R648 H666	D640-D644 WeakPolarHBondContact O-CB 3.33Å; D640-D644 PolarHBondContact O-N 2.97Å; A642-D644 PolarHBondContact O-N 3.29Å; D644-I646 PolarHBondContact O-N 3.39Å; D644-S647 WeakPolarHBondContact O-CB 3.42Å; D644-S647 PolarHBondContact O-N 2.68Å; D644-R648 VanDerWaalsContact CG-NE 3.28Å; D644-R648 WeakPolarHBondContact O-CG 3.11Å; D644-R648 PolarHBondContact O-N 3.39Å; D644-R648 IonicContact OD1-CZ 2.72Å; D644-R648 IonicContact OD1-NE 2.76Å; D644-R648 PolarHBondContact OD1-NE 3.18Å; D644-R648 IonicContact OD1-NH2 2.73Å; D644-R648 PolarHBondContact OD1-NH2 3.46Å; D644-R648 IonicContact OD2-CZ 2.68Å; D644-R648 VanDerWaalsContact OD2-CZ 3.24Å; D644-R648 IonicContact OD2-NE 2.63Å; D644-R648 PolarHBondContact OD2-NE 2.99Å; D644-R648 VanDerWaalsContact OD2-NE 3.14Å; D644-R648 IonicContact OD2-NH2 2.78Å; D644-R648 PolarHBondContact OD2-NH2 3.5Å; D644-H666 IonicContact OD1-NE2 2.69Å; D644-H666 IonicContact OD2-CE1 3.89Å; D644-H666 IonicContact OD2-NE2 2.66Å; D644-H666 PolarHBondContact OD2-NE2 2.88Å
645	L	98.1	Very high	95.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-51.1	176.8	176.9	58.6	0	0	0	111.9	S641 A642 S647 R648 M649 V663 H666 W668 V669	S641-L645 PolarHBondContact O-N 2.93Å; A642-L645 PolarHBondContact O-N 3.45Å; L645-S647 VanDerWaalsContact C-N 3.27Å; L645-S647 PolarHBondContact O-N 2.99Å; L645-R648 PolarHBondContact O-N 3.36Å; L645-R648 VanDerWaalsContact O-N 3.09Å; L645-M649 HydrophobicContact CD1-CG 4.14Å; L645-M649 HydrophobicContact CD1-SD 3.83Å; L645-M649 HydrophobicContact CD2-SD 4.37Å; L645-M649 HydrophobicContact CG-SD 3.8Å; L645-M649 WeakPolarHBondContact O-CG 3.23Å; L645-M649 PolarHBondContact O-N 3.2Å; L645-V663 HydrophobicContact CD1-CB 4.37Å; L645-V663 HydrophobicContact CD1-CG1 4.18Å; L645-V663 HydrophobicContact CD1-CG2 4.21Å; L645-H666 HydrophobicContact CD1-CB 3.92Å; L645-W668 HydrophobicContact CD2-CD2 4.36Å; L645-W668 HydrophobicContact CD2-CE3 3.46Å; L645-W668 VanDerWaalsContact CD2-CE3 3.46Å; L645-W668 HydrophobicContact CD2-CZ3 4.02Å; L645-V669 HydrophobicContact CD2-CG2 3.73Å
646	I	98.5	Very high	96	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-41.6	179.1	-63.6	162.7	0	0	0	110.4	T599 Y600 L603 L628 F630 W635 A642 D644 R648 M649 L650	T599-I646 HydrophobicContact CG2-CD1 4.07Å; T599-I646 HydrophobicContact CG2-CG1 3.64Å; Y600-I646 HydrophobicContact CD2-CD1 4.47Å; Y600-I646 HydrophobicContact CD2-CG2 4.16Å; L603-I646 HydrophobicContact CD1-CD1 4.17Å; L628-I646 HydrophobicContact CD1-CG2 4.47Å; L628-I646 HydrophobicContact CD2-CG2 4.02Å; F630-I646 HydrophobicContact CE1-CB 4.49Å; F630-I646 HydrophobicContact CE1-CD1 4.3Å; F630-I646 HydrophobicContact CE1-CG2 4.42Å; F630-I646 HydrophobicContact CZ-CB 4.37Å; F630-I646 HydrophobicContact CZ-CG2 4.42Å; W635-I646 HydrophobicContact CH2-CD1 3.58Å; W635-I646 HydrophobicContact CZ3-CD1 3.87Å; A642-I646 VanDerWaalsContact O-CG1 3.32Å; A642-I646 WeakPolarHBondContact O-CG1 3.39Å; A642-I646 PolarHBondContact O-N 3.21Å; D644-I646 PolarHBondContact O-N 3.39Å; I646-R648 VanDerWaalsContact C-N 3.27Å; I646-R648 PolarHBondContact O-N 3Å; I646-M649 PolarHBondContact O-N 3.12Å; I646-M649 VanDerWaalsContact O-N 3.12Å; I646-L650 HydrophobicContact CG2-CD1 3.61Å; I646-L650 HydrophobicContact CG2-CG 4.09Å; I646-L650 WeakPolarHBondContact O-CB 3.22Å; I646-L650 PolarHBondContact O-N 3.05Å
647	S	98.4	Very high	96.3	Very high	38 Å²	38	51.3 Å²	51.3	27%	0.266	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-32.1	177.5	-59.5	0	0	0	0	112.9	K643 D644 L645 Q651	K643-S647 VanDerWaalsContact O-CB 3.29Å; K643-S647 WeakPolarHBondContact O-CB 3.25Å; K643-S647 PolarHBondContact O-N 3.27Å; K643-S647 PolarHBondContact O-OG 3.02Å; D644-S647 WeakPolarHBondContact O-CB 3.42Å; D644-S647 PolarHBondContact O-N 2.68Å; L645-S647 VanDerWaalsContact C-N 3.27Å; L645-S647 PolarHBondContact O-N 2.99Å; S647-Q651 WeakPolarHBondContact O-CG 3.5Å; S647-Q651 PolarHBondContact O-NE2 3.05Å
648	R	98.4	Very high	96.7	Very high	117 Å²	117	46.1 Å²	46.1	44%	0.442	25%	0.246	S	C	.	.	H	α-helix	trans	-78.1	-28.3	174.4	-64	170.9	-169.7	-143.1	11.3	113.2	D644 L645 I646 S658 H666	D644-R648 VanDerWaalsContact CG-NE 3.28Å; D644-R648 WeakPolarHBondContact O-CG 3.11Å; D644-R648 PolarHBondContact O-N 3.39Å; D644-R648 IonicContact OD1-CZ 2.72Å; D644-R648 IonicContact OD1-NE 2.76Å; D644-R648 PolarHBondContact OD1-NE 3.18Å; D644-R648 IonicContact OD1-NH2 2.73Å; D644-R648 PolarHBondContact OD1-NH2 3.46Å; D644-R648 IonicContact OD2-CZ 2.68Å; D644-R648 VanDerWaalsContact OD2-CZ 3.24Å; D644-R648 IonicContact OD2-NE 2.63Å; D644-R648 PolarHBondContact OD2-NE 2.99Å; D644-R648 VanDerWaalsContact OD2-NE 3.14Å; D644-R648 IonicContact OD2-NH2 2.78Å; D644-R648 PolarHBondContact OD2-NH2 3.5Å; L645-R648 PolarHBondContact O-N 3.36Å; L645-R648 VanDerWaalsContact O-N 3.09Å; I646-R648 VanDerWaalsContact C-N 3.27Å; I646-R648 PolarHBondContact O-N 3Å; R648-S658 PolarHBondContact O-N 3.15Å; R648-H666 VanDerWaalsContact CZ-NE2 3.31Å; R648-H666 PolarHBondContact NE-NE2 3.22Å; R648-H666 VanDerWaalsContact NE-NE2 3.18Å; R648-H666 PolarHBondContact NH2-NE2 3.06Å
649	M	98.7	Very high	97	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-81.7	-32	176.5	-65.8	174.4	79.2	0	0	112.9	I592 A595 L645 I646 Q651 R657 V663	I592-M649 HydrophobicContact CG2-CB 4.23Å; I592-M649 HydrophobicContact CG2-CE 4.19Å; I592-M649 HydrophobicContact CG2-CG 4.05Å; A595-M649 HydrophobicContact CB-CE 3.58Å; L645-M649 HydrophobicContact CD1-CG 4.14Å; L645-M649 HydrophobicContact CD1-SD 3.83Å; L645-M649 HydrophobicContact CD2-SD 4.37Å; L645-M649 HydrophobicContact CG-SD 3.8Å; L645-M649 WeakPolarHBondContact O-CG 3.23Å; L645-M649 PolarHBondContact O-N 3.2Å; I646-M649 PolarHBondContact O-N 3.12Å; I646-M649 VanDerWaalsContact O-N 3.12Å; M649-Q651 PolarHBondContact O-N 3.17Å; M649-R657 WeakPolarHBondContact O-CD 3.35Å; M649-R657 WeakPolarHBondContact O-CG 3.28Å; M649-V663 HydrophobicContact CE-CG1 4.22Å; M649-V663 HydrophobicContact CE-CG2 3.98Å; M649-V663 HydrophobicContact CG-CG2 3.81Å; M649-V663 HydrophobicContact SD-CG1 4.16Å; M649-V663 HydrophobicContact SD-CG2 3.88Å
650	L	98.4	Very high	97.3	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.026	25%	0.251	C	S	.	.	S	Bend	trans	-98.5	34.8	-179.6	-62.5	-177.1	0	0	0	113.5	W593 V597 P608 F609 L628 I646	W593-L650 HydrophobicContact CD2-CD2 3.78Å; W593-L650 HydrophobicContact CE3-CB 4.41Å; W593-L650 HydrophobicContact CE3-CD2 3.96Å; W593-L650 HydrophobicContact CG-CD2 4.16Å; W593-L650 HydrophobicContact CZ2-CD2 4.42Å; W593-L650 VanDerWaalsContact CZ3-C 3.48Å; W593-L650 HydrophobicContact CZ3-CB 4.22Å; W593-L650 HydrophobicContact CZ3-CD2 4.37Å; W593-L650 WeakPolarHBondContact CZ3-O 3.39Å; W593-L650 WeakPolarHBondContact O-CD2 3.15Å; V597-L650 HydrophobicContact CG2-CD2 3.86Å; P608-L650 HydrophobicContact CB-CD1 4.35Å; P608-L650 HydrophobicContact CG-CD1 4.04Å; F609-L650 HydrophobicContact CE2-CD1 4.37Å; L628-L650 HydrophobicContact CD1-CD1 3.88Å; L628-L650 HydrophobicContact CD2-CB 4.34Å; L628-L650 HydrophobicContact CD2-CD1 4.31Å; I646-L650 HydrophobicContact CG2-CD1 3.61Å; I646-L650 HydrophobicContact CG2-CG 4.09Å; I646-L650 WeakPolarHBondContact O-CB 3.22Å; I646-L650 PolarHBondContact O-N 3.05Å
651	Q	98.3	Very high	97.5	Very high	78 Å²	78	47.2 Å²	47.2	36%	0.364	24%	0.244	S	C	.	.			trans	-74.3	127.6	169.6	-70	-65.7	-56.4	0	0	110.8	S647 M649 R657	S647-Q651 WeakPolarHBondContact O-CG 3.5Å; S647-Q651 PolarHBondContact O-NE2 3.05Å; M649-Q651 PolarHBondContact O-N 3.17Å; Q651-R657 HydrophobicContact CB-CB 3.9Å; Q651-R657 HydrophobicContact CB-CG 4.25Å; Q651-R657 PolarHBondContact O-NE 3.4Å; Q651-R657 PolarHBondContact O-NH2 2.96Å
652	V	97.3	Very high	97.6	Very high	58 Å²	58	47.6 Å²	47.6	35%	0.352	24%	0.243	S	C	.	.	S	Bend	trans	-62	-46.4	176.4	178.9	0	0	0	0	110.9	P578 A654 R657	P578-V652 HydrophobicContact CB-CG1 4.13Å; P578-V652 HydrophobicContact CG-CB 4.36Å; P578-V652 HydrophobicContact CG-CG1 3.94Å; V652-A654 PolarHBondContact O-N 3.39Å; V652-A654 VanDerWaalsContact O-N 3.17Å; V652-R657 PolarHBondContact O-NH2 3.49Å
653	N	96.3	Very high	97.7	Very high	77 Å²	77	47.6 Å²	47.6	41%	0.412	24%	0.243	S	C	.	.	S	Bend	trans	-69.6	113	172.8	-177.2	2.7	0	0	0	110	E655 T656 R657	N653-E655 PolarHBondContact O-N 3.17Å; N653-E655 WeakPolarHBondContact OD1-CB 3.1Å; N653-E655 PolarHBondContact OD1-N 3.39Å; N653-T656 PolarHBondContact O-N 3.25Å; N653-T656 PolarHBondContact O-OG1 2.82Å; N653-R657 PolarHBondContact O-N 3.45Å; N653-R657 VanDerWaalsContact O-N 3.09Å
654	A	96.6	Very high	97.7	Very high	30 Å²	30	47.3 Å²	47.3	25%	0.248	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.8	176.3	0	0	0	0	0	112.9	K589 V652	K589-A654 WeakPolarHBondContact CD-O 3.41Å; K589-A654 WeakPolarHBondContact CE-O 3.3Å; K589-A654 PolarHBondContact NZ-O 3.39Å; V652-A654 PolarHBondContact O-N 3.39Å; V652-A654 VanDerWaalsContact O-N 3.17Å
655	E	95.4	Very high	97.6	Very high	163 Å²	163	48.3 Å²	48.3	76%	0.762	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-46.6	176.2	-62	-175.9	148.7	0	0	111.7	K589 N653	K589-E655 PolarHBondContact NZ-O 3.23Å; N653-E655 PolarHBondContact O-N 3.17Å; N653-E655 WeakPolarHBondContact OD1-CB 3.1Å; N653-E655 PolarHBondContact OD1-N 3.39Å
656	T	96.9	Very high	97.6	Very high	86 Å²	86	48.6 Å²	48.6	53%	0.528	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.1	-179.1	56.7	0	0	0	0	113.9	N653	N653-T656 PolarHBondContact O-N 3.25Å; N653-T656 PolarHBondContact O-OG1 2.82Å
657	R	98.4	Very high	97.4	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.011	28%	0.275	C	S	.	.	S	Bend	trans	-58.8	140.1	172.9	-162.5	-176.5	-58.1	148.9	7.2	111.5	E579 K589 M649 Q651 V652 N653	E579-R657 IonicContact OE1-CZ 3.88Å; E579-R657 IonicContact OE1-NH1 2.7Å; E579-R657 PolarHBondContact OE1-NH1 3.31Å; E579-R657 IonicContact OE1-NH2 2.72Å; E579-R657 PolarHBondContact OE1-NH2 2.73Å; E579-R657 IonicContact OE2-CZ 2.89Å; E579-R657 IonicContact OE2-NH1 2.69Å; E579-R657 PolarHBondContact OE2-NH1 2.83Å; E579-R657 IonicContact OE2-NH2 3.82Å; E579-R657 PolarHBondContact OE2-NH2 3.09Å; K589-R657 HydrophobicContact CD-CB 4.42Å; K589-R657 WeakPolarHBondContact CE-O 3.47Å; K589-R657 PolarHBondContact NZ-O 3.33Å; K589-R657 PolarHBondContact O-NH1 3.48Å; M649-R657 WeakPolarHBondContact O-CD 3.35Å; M649-R657 WeakPolarHBondContact O-CG 3.28Å; Q651-R657 HydrophobicContact CB-CB 3.9Å; Q651-R657 HydrophobicContact CB-CG 4.25Å; Q651-R657 PolarHBondContact O-NE 3.4Å; Q651-R657 PolarHBondContact O-NH2 2.96Å; V652-R657 PolarHBondContact O-NH2 3.49Å; N653-R657 PolarHBondContact O-N 3.45Å; N653-R657 VanDerWaalsContact O-N 3.09Å
658	S	97.8	Very high	97.2	Very high	14 Å²	14	50 Å²	50	10%	0.098	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.2	157.3	175.8	-75.8	0	0	0	0	113.9	I592 R648	I592-S658 WeakPolarHBondContact CG2-O 3.17Å; R648-S658 PolarHBondContact O-N 3.15Å
659	M	98.1	Very high	97	Very high	75 Å²	75	44.9 Å²	44.9	37%	0.369	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-96.5	163	163.2	-64.9	165.4	-82.4	0	0	110.1	K661 D662 V663	M659-K661 HydrophobicContact CB-CG 3.96Å; M659-K661 PolarHBondContact O-N 3.45Å; M659-D662 WeakPolarHBondContact CB-OD2 3.21Å; M659-D662 WeakPolarHBondContact CE-OD2 3.3Å; M659-D662 PolarHBondContact N-OD2 2.97Å; M659-D662 WeakPolarHBondContact O-CB 3.41Å; M659-D662 PolarHBondContact O-N 2.74Å; M659-V663 PolarHBondContact O-N 3.44Å
660	A	98.1	Very high	96.5	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-54.8	-37.7	179.4	0	0	0	0	0	113.6	L521 L522 I592 D662 V663 L664	L521-A660 HydrophobicContact CB-CB 4.04Å; L522-A660 HydrophobicContact CB-CB 3.8Å; I592-A660 HydrophobicContact CD1-CB 3.84Å; A660-D662 VanDerWaalsContact C-N 3.3Å; A660-D662 PolarHBondContact O-N 2.81Å; A660-V663 PolarHBondContact O-N 2.63Å; A660-L664 WeakPolarHBondContact O-CG 3.4Å; A660-L664 PolarHBondContact O-N 2.66Å
661	K	97.9	Very high	95.4	Very high	111 Å²	111	53.5 Å²	53.5	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-34.2	173.5	54.5	155.8	-167.6	168.3	0	113.6	L522 M659 S665	L522-K661 HydrophobicContact CD1-CB 3.95Å; L522-K661 HydrophobicContact CD2-CB 4.5Å; M659-K661 HydrophobicContact CB-CG 3.96Å; M659-K661 PolarHBondContact O-N 3.45Å; K661-S665 WeakPolarHBondContact O-CB 3.18Å; K661-S665 PolarHBondContact O-N 3.48Å; K661-S665 PolarHBondContact O-OG 3.22Å
662	D	97.9	Very high	93.4	Very high	48 Å²	48	55.9 Å²	55.9	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-76	-39.3	-176.9	-46.3	-37.1	0	0	0	109.2	M659 A660 S665 H666	M659-D662 WeakPolarHBondContact CB-OD2 3.21Å; M659-D662 WeakPolarHBondContact CE-OD2 3.3Å; M659-D662 PolarHBondContact N-OD2 2.97Å; M659-D662 WeakPolarHBondContact O-CB 3.41Å; M659-D662 PolarHBondContact O-N 2.74Å; A660-D662 VanDerWaalsContact C-N 3.3Å; A660-D662 PolarHBondContact O-N 2.81Å; D662-S665 WeakPolarHBondContact CA-OG 3.36Å; D662-S665 PolarHBondContact O-N 2.82Å; D662-S665 PolarHBondContact O-OG 3.46Å; D662-H666 PolarHBondContact O-N 3.13Å; D662-H666 VanDerWaalsContact O-N 3.15Å
663	V	98.1	Very high	91.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-50.3	170.3	175.5	0	0	0	0	110.8	V514 A518 I592 L645 M649 M659 A660 S665 H666 V669	V514-V663 HydrophobicContact CG1-CG1 4.21Å; A518-V663 HydrophobicContact CB-CB 4.21Å; A518-V663 HydrophobicContact CB-CG1 3.65Å; I592-V663 HydrophobicContact CG2-CG2 4.35Å; L645-V663 HydrophobicContact CD1-CB 4.37Å; L645-V663 HydrophobicContact CD1-CG1 4.18Å; L645-V663 HydrophobicContact CD1-CG2 4.21Å; M649-V663 HydrophobicContact CE-CG1 4.22Å; M649-V663 HydrophobicContact CE-CG2 3.98Å; M649-V663 HydrophobicContact CG-CG2 3.81Å; M649-V663 HydrophobicContact SD-CG1 4.16Å; M649-V663 HydrophobicContact SD-CG2 3.88Å; M659-V663 PolarHBondContact O-N 3.44Å; A660-V663 PolarHBondContact O-N 2.63Å; V663-S665 PolarHBondContact O-N 3.17Å; V663-H666 VanDerWaalsContact O-CB 3.28Å; V663-H666 WeakPolarHBondContact O-CB 3.45Å; V663-H666 PolarHBondContact O-N 3.39Å; V663-V669 WeakPolarHBondContact O-CG2 3.44Å
664	L	96.7	Very high	89.4	Confident	28 Å²	28	54.4 Å²	54.4	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-28.3	176.9	-76.1	165.9	0	0	0	113.8	Y515 A518 A519 L522 A660 T670	Y515-L664 HydrophobicContact CD2-CD2 3.5Å; Y515-L664 HydrophobicContact CE2-CD2 3.64Å; Y515-L664 HydrophobicContact CG-CD2 4.26Å; A518-L664 HydrophobicContact CB-CD1 4.5Å; A518-L664 HydrophobicContact CB-CD2 3.83Å; A518-L664 HydrophobicContact CB-CG 3.72Å; A519-L664 HydrophobicContact CB-CD2 4.35Å; L522-L664 HydrophobicContact CB-CD1 3.81Å; L522-L664 HydrophobicContact CD2-CD1 3.48Å; L522-L664 VanDerWaalsContact CD2-CD1 3.48Å; L522-L664 HydrophobicContact CG-CD1 4.26Å; A660-L664 WeakPolarHBondContact O-CG 3.4Å; A660-L664 PolarHBondContact O-N 2.66Å; L664-T670 WeakPolarHBondContact O-CG2 3.14Å
665	S	96.4	Very high	87.6	Confident	77 Å²	77	58.9 Å²	58.9	54%	0.538	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.3	176.3	73.1	0	0	0	0	114.1	K661 D662 V663	K661-S665 WeakPolarHBondContact O-CB 3.18Å; K661-S665 PolarHBondContact O-N 3.48Å; K661-S665 PolarHBondContact O-OG 3.22Å; D662-S665 WeakPolarHBondContact CA-OG 3.36Å; D662-S665 PolarHBondContact O-N 2.82Å; D662-S665 PolarHBondContact O-OG 3.46Å; V663-S665 PolarHBondContact O-N 3.17Å
666	H	96.9	Very high	86	Confident	7 Å²	7	59.3 Å²	59.3	3%	0.032	33%	0.325	C	S	.	.	S	Bend	trans	-70	141.1	-169.8	-167.8	-86	0	0	0	111.5	S641 D644 L645 R648 D662 V663 W668 V669 T670	S641-H666 VanDerWaalsContact CA-CE1 3.45Å; S641-H666 WeakPolarHBondContact CA-CE1 3.43Å; S641-H666 PolarHBondContact O-CE1 3.44Å; S641-H666 PolarHBondContact OG-CE1 2.7Å; D644-H666 IonicContact OD1-NE2 2.69Å; D644-H666 IonicContact OD2-CE1 3.89Å; D644-H666 IonicContact OD2-NE2 2.66Å; D644-H666 PolarHBondContact OD2-NE2 2.88Å; L645-H666 HydrophobicContact CD1-CB 3.92Å; R648-H666 VanDerWaalsContact CZ-NE2 3.31Å; R648-H666 PolarHBondContact NE-NE2 3.22Å; R648-H666 VanDerWaalsContact NE-NE2 3.18Å; R648-H666 PolarHBondContact NH2-NE2 3.06Å; D662-H666 PolarHBondContact O-N 3.13Å; D662-H666 VanDerWaalsContact O-N 3.15Å; V663-H666 VanDerWaalsContact O-CB 3.28Å; V663-H666 WeakPolarHBondContact O-CB 3.45Å; V663-H666 PolarHBondContact O-N 3.39Å; H666-W668 WeakPolarHBondContact ND1-CB 3.45Å; H666-W668 PolarHBondContact ND1-N 3.17Å; H666-W668 VanDerWaalsContact ND1-N 3.15Å; H666-W668 PolarHBondContact O-N 3.3Å; H666-W668 VanDerWaalsContact O-N 3.12Å; H666-V669 HydrophobicContact CB-CG2 4.47Å; H666-V669 PolarHBondContact O-N 2.85Å; H666-T670 PolarHBondContact O-N 2.93Å; H666-T670 PolarHBondContact O-OG1 2.79Å
667	P	93.9	Very high	84.8	Confident	62 Å²	62	59 Å²	59	40%	0.403	32%	0.323	S	S	.	.	H	α-helix	trans	-48.3	-38.3	177.9	-34.7	38.9	0	0	0	115.2	V669 T670 H671	P667-V669 VanDerWaalsContact C-N 3.27Å; P667-V669 PolarHBondContact O-N 3.37Å; P667-T670 WeakPolarHBondContact CA-OG1 3.41Å; P667-H671 WeakPolarHBondContact O-CB 3.48Å; P667-H671 PolarHBondContact O-N 2.79Å
668	W	94.8	Very high	83.9	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-68.2	-25.1	179.9	-173.2	76.1	0	0	0	113.9	E507 A510 S511 V514 T599 L603 A642 L645 H666	E507-W668 HydrophobicContact CG-CZ2 3.76Å; E507-W668 PolarHBondContact OE1-NE1 2.86Å; A510-W668 HydrophobicContact CB-CH2 4.11Å; A510-W668 HydrophobicContact CB-CZ2 4.35Å; S511-W668 VanDerWaalsContact CA-CH2 3.47Å; S511-W668 PolarHBondContact OG-O 2.99Å; V514-W668 HydrophobicContact CB-CZ3 3.99Å; V514-W668 HydrophobicContact CG1-CZ3 4.19Å; V514-W668 HydrophobicContact CG2-CH2 4.33Å; V514-W668 HydrophobicContact CG2-CZ3 4.02Å; T599-W668 HydrophobicContact CG2-CH2 4.25Å; T599-W668 HydrophobicContact CG2-CZ3 4.11Å; L603-W668 HydrophobicContact CD1-CH2 4.43Å; L603-W668 HydrophobicContact CD1-CZ2 4.03Å; L603-W668 HydrophobicContact CD2-CH2 4.5Å; L603-W668 HydrophobicContact CD2-CZ2 4.06Å; A642-W668 HydrophobicContact CB-CD2 4.25Å; A642-W668 HydrophobicContact CB-CG 4.26Å; A642-W668 HydrophobicContact CB-CZ2 4.25Å; L645-W668 HydrophobicContact CD2-CD2 4.36Å; L645-W668 HydrophobicContact CD2-CE3 3.46Å; L645-W668 VanDerWaalsContact CD2-CE3 3.46Å; L645-W668 HydrophobicContact CD2-CZ3 4.02Å; H666-W668 WeakPolarHBondContact ND1-CB 3.45Å; H666-W668 PolarHBondContact ND1-N 3.17Å; H666-W668 VanDerWaalsContact ND1-N 3.15Å; H666-W668 PolarHBondContact O-N 3.3Å; H666-W668 VanDerWaalsContact O-N 3.12Å
669	V	94.2	Very high	83.3	Confident	11 Å²	11	62.8 Å²	62.8	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-94.3	-36.2	179.5	179.8	0	0	0	0	111.3	V514 Y515 L645 V663 H666 P667	V514-V669 HydrophobicContact CG1-CG2 4.41Å; Y515-V669 HydrophobicContact CD2-CG1 3.76Å; Y515-V669 HydrophobicContact CG-CG1 4.33Å; L645-V669 HydrophobicContact CD2-CG2 3.73Å; V663-V669 WeakPolarHBondContact O-CG2 3.44Å; H666-V669 HydrophobicContact CB-CG2 4.47Å; H666-V669 PolarHBondContact O-N 2.85Å; P667-V669 VanDerWaalsContact C-N 3.27Å; P667-V669 PolarHBondContact O-N 3.37Å
670	T	88.9	Confident	82.5	Confident	70 Å²	70	61.3 Å²	61.3	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-90.9	-31	-173.4	52.5	0	0	0	0	114.8	L664 H666 P667	L664-T670 WeakPolarHBondContact O-CG2 3.14Å; H666-T670 PolarHBondContact O-N 2.93Å; H666-T670 PolarHBondContact O-OG1 2.79Å; P667-T670 WeakPolarHBondContact CA-OG1 3.41Å
671	H	74.8	Confident	81.6	Confident	117 Å²	117	67 Å²	67	54%	0.542	37%	0.368	S	S	.	.			trans	-100.7	136	-175.3	-64.1	-42.8	0	0	0	112.4	P667 A673	P667-H671 WeakPolarHBondContact O-CB 3.48Å; P667-H671 PolarHBondContact O-N 2.79Å; H671-A673 PolarHBondContact O-N 2.86Å
672	D	56.3	Low	80.8	Confident	128 Å²	128	65 Å²	65	68%	0.684	36%	0.361	S	S	*	.	S	Bend	trans	-78.1	13	-177.6	-142.5	38	0	0	0	113.8	K508 V674	K508-D672 VanDerWaalsContact CE-OD1 3.23Å; K508-D672 WeakPolarHBondContact CE-OD1 3.32Å; K508-D672 IonicContact NZ-OD1 3.32Å; K508-D672 PolarHBondContact NZ-OD1 2.97Å; D672-V674 PolarHBondContact O-N 2.92Å; D672-V674 VanDerWaalsContact O-N 3.11Å
673	A	50.9	Low	80.1	Confident	90 Å²	90	62.8 Å²	62.8	74%	0.744	35%	0.349	S	S	*	.			trans	-81.1	21.9	-175.2	0	0	0	0	0	113.9	H671	H671-A673 PolarHBondContact O-N 2.86Å
674	V	57.7	Low	79.4	Confident	14 Å²	14	63.4 Å²	63.4	9%	0.085	35%	0.353	C	S	.	.			trans	-89.8	131.9	-175.8	179.5	0	0	0	0	110.3	E507 K508 D672 K676	E507-V674 HydrophobicContact CB-CG1 3.46Å; E507-V674 VanDerWaalsContact CB-CG1 3.46Å; E507-V674 HydrophobicContact CG-CG1 3.58Å; K508-V674 HydrophobicContact CB-CB 4.33Å; K508-V674 HydrophobicContact CB-CG1 4.19Å; D672-V674 PolarHBondContact O-N 2.92Å; D672-V674 VanDerWaalsContact O-N 3.11Å; V674-K676 PolarHBondContact O-N 2.89Å
675	M	59.8	Low	78.6	Confident	125 Å²	125	64 Å²	64	62%	0.616	37%	0.366	S	S	*	.			trans	-64.1	134.5	-172.1	-78.9	-69.3	172.4	0	0	112.8	T677	M675-T677 PolarHBondContact O-N 3.41Å
676	K	62.2	Low	78.1	Confident	172 Å²	172	63 Å²	63	75%	0.748	35%	0.352	S	S	*	.			trans	-76.2	16.3	179.2	-64.6	-176.4	179.5	179.5	0	114	K504 V674 N678	K504-K676 PolarHBondContact NZ-O 3.06Å; V674-K676 PolarHBondContact O-N 2.89Å; K676-N678 PolarHBondContact O-N 2.92Å
677	T	70.1	Confident	77.5	Confident	80 Å²	80	62.7 Å²	62.7	49%	0.491	35%	0.351	S	S	.	.			trans	-60.5	126.3	179	-53.3	0	0	0	0	110.2	T506 M675 M679	T506-T677 WeakPolarHBondContact CG2-O 3.46Å; M675-T677 PolarHBondContact O-N 3.41Å; T677-M679 PolarHBondContact O-N 3.17Å
678	N	79.8	Confident	76.8	Confident	77 Å²	77	66.7 Å²	66.7	41%	0.412	36%	0.358	S	S	.	.			trans	-81.9	97.9	-178.7	-173.5	26.1	0	0	0	110.4	K504 Y505 K676 K680	K504-N678 HydrophobicContact CG-CB 4.28Å; K504-N678 WeakPolarHBondContact CG-OD1 3.27Å; Y505-N678 PolarHBondContact N-OD1 3.19Å; Y505-N678 CarbonylContact O-C 3.36Å; Y505-N678 WeakPolarHBondContact O-CA 3.37Å; Y505-N678 PolarHBondContact O-OD1 3.19Å; Y505-N678 VanDerWaalsContact O-OD1 3.1Å; K676-N678 PolarHBondContact O-N 2.92Å; N678-K680 VanDerWaalsContact C-N 3.34Å; N678-K680 WeakPolarHBondContact OD1-CB 3.44Å
679	M	85.9	Confident	76.2	Confident	18 Å²	18	71 Å²	71	9%	0.089	39%	0.385	C	S	.	.			trans	-86.5	-1.6	179.4	48.8	176	53.9	0	0	113.5	Y505 E507 L603 I638 T677 T681 E682 V683	Y505-M679 HydrophobicContact CD1-CG 4.1Å; Y505-M679 HydrophobicContact CD1-SD 4.41Å; Y505-M679 HydrophobicContact CE1-SD 4.38Å; Y505-M679 WeakPolarHBondContact O-CG 3.18Å; Y505-M679 PolarHBondContact O-N 2.61Å; E507-M679 HydrophobicContact CB-CE 3.7Å; E507-M679 HydrophobicContact CB-SD 4.31Å; E507-M679 HydrophobicContact CG-CE 4.41Å; L603-M679 HydrophobicContact CD2-SD 4.22Å; I638-M679 HydrophobicContact CD1-CE 3.32Å; I638-M679 HydrophobicContact CD1-SD 4.5Å; T677-M679 PolarHBondContact O-N 3.17Å; M679-T681 VanDerWaalsContact C-N 3.32Å; M679-T681 PolarHBondContact O-N 3.22Å; M679-T681 VanDerWaalsContact O-N 3.17Å; M679-E682 PolarHBondContact O-N 2.92Å; M679-E682 VanDerWaalsContact O-N 3.12Å; M679-V683 HydrophobicContact CB-CG2 4.25Å; M679-V683 HydrophobicContact CG-CG2 4.36Å; M679-V683 PolarHBondContact O-N 3.07Å; M679-V683 HydrophobicContact SD-CG2 4.41Å
680	K	81.1	Confident	75.3	Confident	45 Å²	45	74.3 Å²	74.3	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-44.6	-51.8	-178.6	-175	-178.6	179.4	174.5	0	113.6	M500 S502 Y505 N678 E682 V683 S684	M500-K680 PolarHBondContact O-NZ 2.62Å; S502-K680 VanDerWaalsContact O-CD 3.24Å; S502-K680 WeakPolarHBondContact O-CD 3.38Å; S502-K680 WeakPolarHBondContact O-CE 3.41Å; S502-K680 PolarHBondContact O-NZ 3.48Å; Y505-K680 PolarHBondContact O-N 3.49Å; N678-K680 VanDerWaalsContact C-N 3.34Å; N678-K680 WeakPolarHBondContact OD1-CB 3.44Å; K680-E682 PolarHBondContact O-N 2.86Å; K680-V683 PolarHBondContact O-N 3Å; K680-S684 WeakPolarHBondContact CG-OG 3.3Å; K680-S684 WeakPolarHBondContact O-CB 3.32Å; K680-S684 PolarHBondContact O-N 3.02Å; K680-S684 PolarHBondContact O-OG 3.13Å
681	T	78.3	Confident	74.6	Confident	123 Å²	123	72.5 Å²	72.5	76%	0.755	39%	0.385	S	S	*	.	H	α-helix	trans	-60.6	-34.2	-172.3	-49.2	0	0	0	0	112.7	M679	M679-T681 VanDerWaalsContact C-N 3.32Å; M679-T681 PolarHBondContact O-N 3.22Å; M679-T681 VanDerWaalsContact O-N 3.17Å
682	E	82	Confident	73.7	Confident	69 Å²	69	74.8 Å²	74.8	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-79.3	-52.9	178.4	-177.4	157.1	-145.6	0	0	110.9	Y634 M679 K680 G685 K686	Y634-E682 HydrophobicContact CD1-CG 4.45Å; Y634-E682 WeakPolarHBondContact CD1-OE1 3.13Å; M679-E682 PolarHBondContact O-N 2.92Å; M679-E682 VanDerWaalsContact O-N 3.12Å; K680-E682 PolarHBondContact O-N 2.86Å; E682-G685 PolarHBondContact O-N 3.17Å; E682-K686 PolarHBondContact O-N 3.49Å; E682-K686 VanDerWaalsContact O-N 3.17Å
683	V	83.8	Confident	73.5	Confident	1 Å²	1	70 Å²	70	1%	0.006	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-54.2	-179	176.8	0	0	0	0	111.4	I499 Y505 L603 M679 K680 G685 K686 L687	I499-V683 HydrophobicContact CG2-CG1 4.17Å; Y505-V683 HydrophobicContact CD1-CG1 4.47Å; Y505-V683 HydrophobicContact CE1-CG1 4.39Å; L603-V683 WeakPolarHBondContact O-CG2 3.4Å; M679-V683 HydrophobicContact CB-CG2 4.25Å; M679-V683 HydrophobicContact CG-CG2 4.36Å; M679-V683 PolarHBondContact O-N 3.07Å; M679-V683 HydrophobicContact SD-CG2 4.41Å; K680-V683 PolarHBondContact O-N 3Å; V683-G685 VanDerWaalsContact C-N 3.25Å; V683-G685 PolarHBondContact O-N 3.48Å; V683-K686 PolarHBondContact O-N 2.82Å; V683-K686 VanDerWaalsContact O-N 3.15Å; V683-L687 VanDerWaalsContact O-CB 3.3Å; V683-L687 WeakPolarHBondContact O-CB 3.05Å; V683-L687 PolarHBondContact O-N 2.84Å
684	S	82.1	Confident	73.1	Confident	14 Å²	14	69.1 Å²	69.1	10%	0.098	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-31.1	-178.5	-61.8	0	0	0	0	113.1	M500 K680 R688	M500-S684 VanDerWaalsContact SD-CB 3.56Å; K680-S684 WeakPolarHBondContact CG-OG 3.3Å; K680-S684 WeakPolarHBondContact O-CB 3.32Å; K680-S684 PolarHBondContact O-N 3.02Å; K680-S684 PolarHBondContact O-OG 3.13Å; S684-R688 PolarHBondContact O-N 3.05Å
685	G	81.3	Confident	72.3	Confident	41 Å²	41	73.3 Å²	73.3	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-66	-46.4	174.7	0	0	0	0	0	111.8	E682 V683	E682-G685 PolarHBondContact O-N 3.17Å; V683-G685 VanDerWaalsContact C-N 3.25Å; V683-G685 PolarHBondContact O-N 3.48Å
686	K	85.3	Confident	71.7	Confident	54 Å²	54	74.3 Å²	74.3	24%	0.235	40%	0.398	C	S	.	.	H	α-helix	trans	-70	-41.2	177.2	-67.9	-59.7	-170.7	179.5	0	112.9	C604 G605 F606 Y634 E682 V683 R688 T689 H690	C604-K686 WeakPolarHBondContact O-CB 3.49Å; G605-K686 CarbonylContact O-C 3.55Å; F606-K686 HydrophobicContact CD1-CB 4.2Å; F606-K686 HydrophobicContact CD1-CD 4.3Å; F606-K686 HydrophobicContact CD1-CG 4.06Å; Y634-K686 PolarHBondContact OH-NZ 2.95Å; E682-K686 PolarHBondContact O-N 3.49Å; E682-K686 VanDerWaalsContact O-N 3.17Å; V683-K686 PolarHBondContact O-N 2.82Å; V683-K686 VanDerWaalsContact O-N 3.15Å; K686-R688 PolarHBondContact O-N 3.26Å; K686-T689 WeakPolarHBondContact CA-OG1 3.34Å; K686-T689 PolarHBondContact O-N 2.82Å; K686-T689 PolarHBondContact O-OG1 2.9Å; K686-H690 PolarHBondContact O-CD2 2.62Å; K686-H690 PolarHBondContact O-N 2.94Å; K686-H690 VanDerWaalsContact O-N 3.09Å
687	L	84.4	Confident	70.6	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-56.8	-49.5	-178.9	-156.7	69.6	0	0	0	110.5	F496 I499 M500 I601 G605 V683 T689 H690 F691	F496-L687 HydrophobicContact CB-CD2 3.77Å; F496-L687 HydrophobicContact CB-CG 4.36Å; F496-L687 HydrophobicContact CD1-CD1 3.86Å; F496-L687 HydrophobicContact CD1-CD2 3.96Å; F496-L687 HydrophobicContact CD1-CG 4.4Å; F496-L687 HydrophobicContact CD2-CD1 3.93Å; F496-L687 HydrophobicContact CD2-CD2 4.49Å; F496-L687 HydrophobicContact CD2-CG 4.28Å; F496-L687 HydrophobicContact CE1-CD1 3.85Å; F496-L687 HydrophobicContact CE2-CD1 3.9Å; F496-L687 HydrophobicContact CG-CD1 3.91Å; F496-L687 HydrophobicContact CG-CD2 3.84Å; F496-L687 HydrophobicContact CG-CG 4.11Å; F496-L687 HydrophobicContact CZ-CD1 3.86Å; I499-L687 HydrophobicContact CB-CD2 4.36Å; I499-L687 HydrophobicContact CG2-CD2 4.24Å; M500-L687 HydrophobicContact CG-CD2 4.11Å; M500-L687 HydrophobicContact SD-CB 4.3Å; M500-L687 HydrophobicContact SD-CD2 4.11Å; I601-L687 HydrophobicContact CG2-CD1 3.98Å; G605-L687 WeakPolarHBondContact O-CA 3.4Å; G605-L687 PolarHBondContact O-N 2.99Å; V683-L687 VanDerWaalsContact O-CB 3.3Å; V683-L687 WeakPolarHBondContact O-CB 3.05Å; V683-L687 PolarHBondContact O-N 2.84Å; L687-T689 PolarHBondContact O-N 3.47Å; L687-H690 PolarHBondContact O-N 3.23Å; L687-F691 HydrophobicContact CD1-CD2 3.74Å; L687-F691 HydrophobicContact CD1-CE2 4.04Å; L687-F691 HydrophobicContact CG-CD2 4.3Å; L687-F691 PolarHBondContact O-N 3.09Å; L687-F691 VanDerWaalsContact O-O 3.1Å
688	R	80.1	Confident	69.4	Low	147 Å²	147	78.9 Å²	78.9	56%	0.555	42%	0.422	S	S	*	.	H	α-helix	trans	-61.1	-26.6	175.3	-175.3	-179.9	-70.9	-178.1	-0.2	114.2	M500 S684 K686	M500-R688 HydrophobicContact CE-CB 4.13Å; S684-R688 PolarHBondContact O-N 3.05Å; K686-R688 PolarHBondContact O-N 3.26Å
689	T	81.6	Confident	67.9	Low	95 Å²	95	77.7 Å²	77.7	58%	0.583	42%	0.42	S	S	*	.	H	α-helix	trans	-86.7	-15.9	178.4	56.4	0	0	0	0	114.5	K686 L687	K686-T689 WeakPolarHBondContact CA-OG1 3.34Å; K686-T689 PolarHBondContact O-N 2.82Å; K686-T689 PolarHBondContact O-OG1 2.9Å; L687-T689 PolarHBondContact O-N 3.47Å
690	H	75.6	Confident	66.2	Low	80 Å²	80	79.1 Å²	79.1	37%	0.37	43%	0.43	S	S	.	.	H	α-helix	trans	-114.2	-19.8	-179.2	-72.6	-55.9	0	0	0	113.7	F606 R610 K686 L687	F606-H690 VanDerWaalsContact CB-CD2 3.43Å; F606-H690 WeakPolarHBondContact CB-CD2 2.79Å; R610-H690 PolarHBondContact NH1-CE1 2.82Å; R610-H690 PolarHBondContact NH1-NE2 2.75Å; K686-H690 PolarHBondContact O-CD2 2.62Å; K686-H690 PolarHBondContact O-N 2.94Å; K686-H690 VanDerWaalsContact O-N 3.09Å; L687-H690 PolarHBondContact O-N 3.23Å
691	F	74.4	Confident	65.2	Low	31 Å²	31	80.7 Å²	80.7	14%	0.136	44%	0.443	C	S	.	.	S	Bend	trans	-131.7	121.5	176.7	-52.7	-86.6	0	0	0	107.2	F496 I601 L687 T693	F496-F691 HydrophobicContact CD2-CB 4.22Å; F496-F691 HydrophobicContact CD2-CD1 4.31Å; F496-F691 HydrophobicContact CD2-CD2 4.26Å; F496-F691 AromaticContact CD2-CG 4Å; F496-F691 HydrophobicContact CD2-CG 4Å; F496-F691 HydrophobicContact CE2-CB 4.41Å; F496-F691 AromaticContact CE2-CD1 3.74Å; F496-F691 HydrophobicContact CE2-CD1 3.74Å; F496-F691 AromaticContact CE2-CD2 3.79Å; F496-F691 HydrophobicContact CE2-CD2 3.79Å; F496-F691 AromaticContact CE2-CE1 3.86Å; F496-F691 HydrophobicContact CE2-CE1 3.86Å; F496-F691 AromaticContact CE2-CE2 3.91Å; F496-F691 HydrophobicContact CE2-CE2 3.91Å; F496-F691 AromaticContact CE2-CG 3.7Å; F496-F691 HydrophobicContact CE2-CG 3.7Å; F496-F691 AromaticContact CE2-CZ 3.95Å; F496-F691 HydrophobicContact CE2-CZ 3.95Å; F496-F691 HydrophobicContact CZ-CE2 4.31Å; F496-F691 HydrophobicContact CZ-CZ 4.33Å; I601-F691 HydrophobicContact CD1-CZ 4.04Å; I601-F691 HydrophobicContact CG1-CZ 4.43Å; I601-F691 HydrophobicContact CG2-CE2 3.81Å; I601-F691 HydrophobicContact CG2-CZ 4.09Å; L687-F691 HydrophobicContact CD1-CD2 3.74Å; L687-F691 HydrophobicContact CD1-CE2 4.04Å; L687-F691 HydrophobicContact CG-CD2 4.3Å; L687-F691 PolarHBondContact O-N 3.09Å; L687-F691 VanDerWaalsContact O-O 3.1Å; F691-T693 PolarHBondContact O-N 3.5Å
692	N	56.1	Low	64.5	Low	166 Å²	166	75.8 Å²	75.8	89%	0.888	42%	0.415	S	S	*	.			trans	-77.2	52.2	-171.6	-79.4	-29.8	0	0	0	112.8	A694	N692-A694 PolarHBondContact O-N 2.78Å
693	T	51.9	Low	63.9	Low	28 Å²	28	72.7 Å²	72.7	17%	0.172	40%	0.402	C	S	.	.			trans	-75.1	85.3	180	-48	0	0	0	0	110.3	D497 F691	D497-T693 WeakPolarHBondContact OD1-CG2 3.37Å; F691-T693 PolarHBondContact O-N 3.5Å
694	A	41.1	Very low	63.7	Low	71 Å²	71	72.7 Å²	72.7	59%	0.587	40%	0.402	S	S	*	.			trans	-62.5	129.6	164	0	0	0	0	0	109	N692 K696	N692-A694 PolarHBondContact O-N 2.78Å; A694-K696 PolarHBondContact O-N 3.18Å
695	P	41.8	Very low	63.7	Low	102 Å²	102	74.9 Å²	74.9	66%	0.662	42%	0.417	S	S	*	.			trans	-70.4	99.4	-169.1	27.5	-35	0	0	0	112.1	Q697	P695-Q697 PolarHBondContact O-N 3.1Å
696	K	47.6	Very low	63.6	Low	145 Å²	145	73.1 Å²	73.1	63%	0.63	40%	0.398	S	S	*	.			trans	-75.2	99.8	173.1	-65.6	168.5	-172	159.7	0	109.4	A694 N698	A694-K696 PolarHBondContact O-N 3.18Å; K696-N698 PolarHBondContact O-N 2.87Å
697	Q	38.4	Very low	63.5	Low	177 Å²	177	70.6 Å²	70.6	83%	0.827	39%	0.387	S	S	*	.			trans	-65.9	125	172.1	-68.6	-165.2	-6.1	0	0	110.7	P695 S699	P695-Q697 PolarHBondContact O-N 3.1Å; Q697-S699 VanDerWaalsContact C-N 3.26Å; Q697-S699 PolarHBondContact O-N 2.88Å
698	N	44.1	Very low	63.4	Low	172 Å²	172	72.7 Å²	72.7	92%	0.92	40%	0.398	S	S	*	.	S	Bend	trans	24.7	53.1	165.8	-62.8	19.8	0	0	0	116.2	K696	K696-N698 PolarHBondContact O-N 2.87Å
699	S	48.9	Very low	63.5	Low	51 Å²	51	67.8 Å²	67.8	36%	0.357	38%	0.382	S	S	.	.			trans	-86.3	142.5	-177.4	-172.8	0	0	0	0	111.3	Q697 T701 A702	Q697-S699 VanDerWaalsContact C-N 3.26Å; Q697-S699 PolarHBondContact O-N 2.88Å; S699-T701 PolarHBondContact O-N 3.29Å; S699-T701 PolarHBondContact OG-N 3.09Å; S699-T701 PolarHBondContact OG-OG1 3.28Å; S699-A702 VanDerWaalsContact O-CB 3.26Å; S699-A702 WeakPolarHBondContact O-CB 3.19Å; S699-A702 PolarHBondContact O-N 2.71Å
700	T	51.2	Low	63.4	Low	48 Å²	48	63.3 Å²	63.3	29%	0.294	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.5	170.3	-24.1	0	0	0	0	113	K416 I418 A702	K416-T700 PolarHBondContact NZ-OG1 3.07Å; I418-T700 HydrophobicContact CG2-CG2 4.49Å; T700-A702 VanDerWaalsContact C-N 3.33Å
701	T	59.1	Low	63.5	Low	79 Å²	79	59.8 Å²	59.8	49%	0.485	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.9	171.4	-26.8	0	0	0	0	113.4	S699 G703 V704	S699-T701 PolarHBondContact O-N 3.29Å; S699-T701 PolarHBondContact OG-N 3.09Å; S699-T701 PolarHBondContact OG-OG1 3.28Å; T701-G703 PolarHBondContact O-N 2.72Å; T701-V704 HydrophobicContact CG2-CB 4.47Å; T701-V704 WeakPolarHBondContact O-CB 3.14Å; T701-V704 PolarHBondContact O-N 3.37Å; T701-V704 VanDerWaalsContact O-N 3.11Å
702	A	63.7	Low	63.7	Low	19 Å²	19	58.5 Å²	58.5	16%	0.157	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	130.4	178.8	0	0	0	0	0	110.7	K491 S699 T700 V704	K491-A702 VanDerWaalsContact O-CB 3.32Å; K491-A702 WeakPolarHBondContact O-CB 3.17Å; S699-A702 VanDerWaalsContact O-CB 3.26Å; S699-A702 WeakPolarHBondContact O-CB 3.19Å; S699-A702 PolarHBondContact O-N 2.71Å; T700-A702 VanDerWaalsContact C-N 3.33Å; A702-V704 PolarHBondContact O-N 3.49Å
703	G	68.8	Low	64.7	Low	5 Å²	5	52.8 Å²	52.8	5%	0.052	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-17.3	-175.6	0	0	0	0	0	116.5	L540 T701 S705 V706	L540-G703 VanDerWaalsContact CD1-CA 3.42Å; T701-G703 PolarHBondContact O-N 2.72Å; G703-S705 VanDerWaalsContact C-N 3.31Å; G703-S705 PolarHBondContact O-N 3.31Å; G703-V706 PolarHBondContact O-N 2.72Å
704	V	81.4	Confident	65.7	Low	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-26.9	-170.4	-177.4	0	0	0	0	113.2	I418 V426 T701 A702 V706 I707 M708	I418-V704 HydrophobicContact CB-CG1 4.37Å; I418-V704 HydrophobicContact CB-CG2 4.16Å; I418-V704 HydrophobicContact CD1-CG1 4.36Å; I418-V704 HydrophobicContact CD1-CG2 3.79Å; I418-V704 HydrophobicContact CG1-CG1 3.94Å; I418-V704 HydrophobicContact CG1-CG2 4.03Å; V426-V704 HydrophobicContact CB-CG1 3.94Å; V426-V704 HydrophobicContact CG1-CG1 4Å; V426-V704 HydrophobicContact CG2-CG1 4.31Å; T701-V704 HydrophobicContact CG2-CB 4.47Å; T701-V704 WeakPolarHBondContact O-CB 3.14Å; T701-V704 PolarHBondContact O-N 3.37Å; T701-V704 VanDerWaalsContact O-N 3.11Å; A702-V704 PolarHBondContact O-N 3.49Å; V704-V706 VanDerWaalsContact C-N 3.27Å; V704-V706 PolarHBondContact O-N 3.19Å; V704-I707 PolarHBondContact O-N 2.98Å; V704-I707 VanDerWaalsContact O-N 3.08Å; V704-M708 WeakPolarHBondContact O-CB 3.4Å; V704-M708 PolarHBondContact O-N 2.75Å
705	S	80.5	Confident	66.6	Low	60 Å²	60	51.7 Å²	51.7	42%	0.42	28%	0.284	S	S	.	.	H	α-helix	trans	-56.7	-38.2	175.1	44.2	0	0	0	0	113.3	G703 I707 M708 N709	G703-S705 VanDerWaalsContact C-N 3.31Å; G703-S705 PolarHBondContact O-N 3.31Å; S705-I707 VanDerWaalsContact C-N 3.27Å; S705-I707 PolarHBondContact O-N 3.19Å; S705-M708 PolarHBondContact O-N 3.33Å; S705-N709 VanDerWaalsContact O-CG 3.31Å; S705-N709 PolarHBondContact O-N 3.16Å; S705-N709 PolarHBondContact O-ND2 3.42Å; S705-N709 PolarHBondContact O-OD1 2.7Å
706	V	80.5	Confident	67	Low	4 Å²	4	52.7 Å²	52.7	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-28.2	178.7	-179.2	0	0	0	0	111.9	I471 E537 L540 D555 G703 V704	I471-V706 HydrophobicContact CD1-CB 4.5Å; I471-V706 HydrophobicContact CD1-CG1 3.77Å; E537-V706 WeakPolarHBondContact O-CG2 3.32Å; L540-V706 HydrophobicContact CD1-CB 4.19Å; L540-V706 HydrophobicContact CD1-CG2 4.2Å; L540-V706 HydrophobicContact CD2-CG2 3.65Å; L540-V706 HydrophobicContact CG-CB 4.43Å; L540-V706 HydrophobicContact CG-CG2 3.98Å; D555-V706 HydrophobicContact CB-CG1 3.93Å; G703-V706 PolarHBondContact O-N 2.72Å; V704-V706 VanDerWaalsContact C-N 3.27Å; V704-V706 PolarHBondContact O-N 3.19Å
707	I	81.5	Confident	67.2	Low	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-88	-32	178.7	-56.5	-178.7	0	0	0	110.6	V426 A439 K441 M487 V704 S705	V426-I707 HydrophobicContact CG1-CB 4.49Å; V426-I707 HydrophobicContact CG1-CG2 3.84Å; V426-I707 HydrophobicContact CG2-CG2 4.09Å; A439-I707 HydrophobicContact CB-CD1 3.56Å; A439-I707 HydrophobicContact CB-CG2 4.11Å; K441-I707 HydrophobicContact CB-CG2 4.14Å; K441-I707 WeakPolarHBondContact CD-O 3.47Å; K441-I707 WeakPolarHBondContact CE-O 3.33Å; K441-I707 PolarHBondContact NZ-O 2.91Å; M487-I707 HydrophobicContact SD-CG2 3.97Å; V704-I707 PolarHBondContact O-N 2.98Å; V704-I707 VanDerWaalsContact O-N 3.08Å; S705-I707 VanDerWaalsContact C-N 3.27Å; S705-I707 PolarHBondContact O-N 3.19Å
708	M	82.9	Confident	67.8	Low	45 Å²	45	42.9 Å²	42.9	22%	0.222	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-46.6	-179.9	-174.8	-162.8	-60.6	0	0	112.6	V426 V704 S705 T710	V426-M708 HydrophobicContact CG2-CB 4.04Å; V704-M708 WeakPolarHBondContact O-CB 3.4Å; V704-M708 PolarHBondContact O-N 2.75Å; S705-M708 PolarHBondContact O-N 3.33Å; M708-T710 PolarHBondContact O-N 3.45Å
709	N	81.9	Confident	67.9	Low	44 Å²	44	36 Å²	36	24%	0.235	21%	0.21	C	C	.	.			trans	-56.5	134.7	-177.4	-66.5	-18.7	0	0	0	111.8	K441 D555 S705	K441-N709 PolarHBondContact NZ-O 3.15Å; D555-N709 VanDerWaalsContact OD2-CB 3.3Å; D555-N709 WeakPolarHBondContact OD2-CB 3.45Å; D555-N709 PolarHBondContact OD2-ND2 3.33Å; S705-N709 VanDerWaalsContact O-CG 3.31Å; S705-N709 PolarHBondContact O-N 3.16Å; S705-N709 PolarHBondContact O-ND2 3.42Å; S705-N709 PolarHBondContact O-OD1 2.7Å
710	T	79.6	Confident	67.1	Low	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.			trans	-110.6	164.1	169.1	68.2	0	0	0	0	110.8	F423 A424 I443 I455 E458 M708 L712 D713 K714	F423-T710 HydrophobicContact CB-CG2 4.25Å; A424-T710 HydrophobicContact CB-CG2 3.72Å; I443-T710 HydrophobicContact CD1-CG2 4.38Å; I443-T710 HydrophobicContact CG1-CG2 4.4Å; I455-T710 HydrophobicContact CD1-CG2 4.32Å; E458-T710 WeakPolarHBondContact OE2-CA 3.45Å; M708-T710 PolarHBondContact O-N 3.45Å; T710-L712 PolarHBondContact O-N 3.32Å; T710-L712 WeakPolarHBondContact OG1-CB 3.45Å; T710-L712 PolarHBondContact OG1-N 2.89Å; T710-D713 WeakPolarHBondContact CB-OD2 3.39Å; T710-D713 PolarHBondContact N-OD2 3.21Å; T710-D713 PolarHBondContact O-N 3.27Å; T710-D713 PolarHBondContact OG1-N 3.38Å; T710-D713 PolarHBondContact OG1-OD2 2.99Å; T710-K714 PolarHBondContact O-N 3.29Å
711	A	78.5	Confident	66.1	Low	7 Å²	7	42.7 Å²	42.7	6%	0.058	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-23.6	168.8	0	0	0	0	0	114.1	L454 E458 G557 K714	L454-A711 HydrophobicContact CB-CB 3.99Å; L454-A711 WeakPolarHBondContact O-CB 3.29Å; E458-A711 HydrophobicContact CB-CB 4.41Å; E458-A711 PolarHBondContact OE2-N 2.89Å; G557-A711 WeakPolarHBondContact O-CA 3.42Å; G557-A711 VanDerWaalsContact O-CB 3.24Å; G557-A711 WeakPolarHBondContact O-CB 3.46Å; A711-K714 WeakPolarHBondContact O-CB 3.14Å; A711-K714 PolarHBondContact O-N 3.25Å
712	L	78.3	Confident	64.7	Low	3 Å²	3	42.8 Å²	42.8	2%	0.016	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-37.5	177.2	-56.1	177.6	0	0	0	112.3	F423 C448 K451 L454 I455 T710 K714 E715	F423-L712 HydrophobicContact CB-CD1 4.17Å; F423-L712 HydrophobicContact CD1-CB 4.28Å; F423-L712 HydrophobicContact CD1-CD1 3.53Å; F423-L712 HydrophobicContact CD2-CB 3.52Å; F423-L712 HydrophobicContact CD2-CD1 4.18Å; F423-L712 HydrophobicContact CD2-CG 4.46Å; F423-L712 HydrophobicContact CE1-CB 4.23Å; F423-L712 HydrophobicContact CE1-CD1 3.91Å; F423-L712 HydrophobicContact CE2-CB 3.45Å; F423-L712 VanDerWaalsContact CE2-CB 3.45Å; F423-L712 HydrophobicContact CE2-CD1 4.49Å; F423-L712 HydrophobicContact CG-CB 3.94Å; F423-L712 HydrophobicContact CG-CD1 3.69Å; F423-L712 HydrophobicContact CG-CG 4.43Å; F423-L712 HydrophobicContact CZ-CB 3.83Å; F423-L712 HydrophobicContact CZ-CD1 4.37Å; C448-L712 HydrophobicContact CB-CD1 3.83Å; C448-L712 VanDerWaalsContact SG-CD1 3.51Å; K451-L712 HydrophobicContact CB-CD2 3.48Å; K451-L712 VanDerWaalsContact CB-CD2 3.48Å; K451-L712 HydrophobicContact CD-CD2 4.05Å; K451-L712 HydrophobicContact CG-CD2 4.38Å; L454-L712 HydrophobicContact CB-CD2 4.01Å; L454-L712 HydrophobicContact CD1-CD2 3.79Å; L454-L712 HydrophobicContact CG-CD2 4.47Å; I455-L712 HydrophobicContact CD1-CD1 4.05Å; I455-L712 HydrophobicContact CD1-CG 3.86Å; I455-L712 HydrophobicContact CG1-CD1 4.16Å; I455-L712 HydrophobicContact CG1-CG 4.23Å; T710-L712 PolarHBondContact O-N 3.32Å; T710-L712 WeakPolarHBondContact OG1-CB 3.45Å; T710-L712 PolarHBondContact OG1-N 2.89Å; L712-K714 PolarHBondContact O-N 3.26Å; L712-E715 WeakPolarHBondContact O-CB 3.43Å; L712-E715 PolarHBondContact O-N 3.05Å; L712-E715 VanDerWaalsContact O-N 3.16Å
713	D	77.8	Confident	62.9	Low	46 Å²	46	46.3 Å²	46.3	25%	0.246	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.6	173.8	-53.1	-74	0	0	0	111.8	F423 T710	F423-D713 WeakPolarHBondContact CD2-OD1 3.43Å; T710-D713 WeakPolarHBondContact CB-OD2 3.39Å; T710-D713 PolarHBondContact N-OD2 3.21Å; T710-D713 PolarHBondContact O-N 3.27Å; T710-D713 PolarHBondContact OG1-N 3.38Å; T710-D713 PolarHBondContact OG1-OD2 2.99Å
714	K	71.3	Confident	60.9	Low	5 Å²	5	51.5 Å²	51.5	2%	0.022	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.4	176.3	-52.7	-64.6	-175.5	173.8	0	114.5	D533 D555 L558 T710 A711 L712 T716 L717 Q718	D533-K714 IonicContact OD2-NZ 3.31Å; D533-K714 PolarHBondContact OD2-NZ 3.02Å; D555-K714 VanDerWaalsContact CG-CE 3.46Å; D555-K714 VanDerWaalsContact CG-NZ 3.28Å; D555-K714 WeakPolarHBondContact OD1-CE 3.47Å; D555-K714 IonicContact OD1-NZ 3.41Å; D555-K714 PolarHBondContact OD1-NZ 3.44Å; D555-K714 WeakPolarHBondContact OD2-CE 3.47Å; D555-K714 IonicContact OD2-NZ 3.65Å; D555-K714 PolarHBondContact OD2-NZ 2.95Å; L558-K714 HydrophobicContact CD1-CB 4.33Å; L558-K714 HydrophobicContact CD1-CD 4.48Å; L558-K714 HydrophobicContact CD2-CB 3.69Å; L558-K714 HydrophobicContact CD2-CG 4.35Å; L558-K714 HydrophobicContact CG-CB 3.78Å; L558-K714 HydrophobicContact CG-CD 4.27Å; L558-K714 HydrophobicContact CG-CG 3.93Å; T710-K714 PolarHBondContact O-N 3.29Å; A711-K714 WeakPolarHBondContact O-CB 3.14Å; A711-K714 PolarHBondContact O-N 3.25Å; L712-K714 PolarHBondContact O-N 3.26Å; K714-T716 PolarHBondContact O-N 3.3Å; K714-L717 HydrophobicContact CD-CD1 3.96Å; K714-L717 CarbonylContact O-C 3.56Å; K714-L717 WeakPolarHBondContact O-CA 3.14Å; K714-L717 PolarHBondContact O-N 3.37Å; K714-Q718 PolarHBondContact O-N 3.18Å
715	E	61.9	Low	58.2	Low	72 Å²	72	61 Å²	61	34%	0.336	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-59.4	-37.4	176.5	-170.2	176.1	-158.6	0	0	111.4	K451 L712 L717 Q718	K451-E715 WeakPolarHBondContact CE-OE1 3.47Å; K451-E715 IonicContact NZ-OE1 3.6Å; K451-E715 PolarHBondContact NZ-OE1 3.13Å; K451-E715 IonicContact NZ-OE2 3.27Å; K451-E715 PolarHBondContact NZ-OE2 3.27Å; L712-E715 WeakPolarHBondContact O-CB 3.43Å; L712-E715 PolarHBondContact O-N 3.05Å; L712-E715 VanDerWaalsContact O-N 3.16Å; E715-L717 VanDerWaalsContact C-N 3.25Å; E715-L717 PolarHBondContact O-N 3.03Å; E715-Q718 WeakPolarHBondContact O-CB 3.5Å; E715-Q718 PolarHBondContact O-N 2.84Å
716	T	49.8	Very low	55.5	Low	123 Å²	123	66.9 Å²	66.9	76%	0.755	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-71.6	-14.8	172.6	-38.8	0	0	0	0	113.6	K714	K714-T716 PolarHBondContact O-N 3.3Å
717	L	51.4	Low	53.1	Low	50 Å²	50	72.3 Å²	72.3	26%	0.262	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-101.8	10	174.6	-69.5	178.3	0	0	0	113	C570 G571 K714 E715	C570-L717 VanDerWaalsContact CA-O 3.26Å; C570-L717 WeakPolarHBondContact CA-O 3.41Å; C570-L717 WeakPolarHBondContact CB-O 3.32Å; G571-L717 PolarHBondContact N-O 3.36Å; K714-L717 HydrophobicContact CD-CD1 3.96Å; K714-L717 CarbonylContact O-C 3.56Å; K714-L717 WeakPolarHBondContact O-CA 3.14Å; K714-L717 PolarHBondContact O-N 3.37Å; E715-L717 VanDerWaalsContact C-N 3.25Å; E715-L717 PolarHBondContact O-N 3.03Å
718	Q	50.1	Low	50.4	Low	65 Å²	65	81.2 Å²	81.2	30%	0.304	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-66.2	127.8	144.2	-64.8	-178.3	2.3	0	0	107	T568 V569 K714 E715 Y720	T568-Q718 HydrophobicContact CG2-CG 4.43Å; V569-Q718 CarbonylContact O-C 3.56Å; V569-Q718 WeakPolarHBondContact O-CA 3.45Å; K714-Q718 PolarHBondContact O-N 3.18Å; E715-Q718 WeakPolarHBondContact O-CB 3.5Å; E715-Q718 PolarHBondContact O-N 2.84Å; Q718-Y720 HydrophobicContact CB-CD2 4Å; Q718-Y720 HydrophobicContact CB-CE2 3.75Å; Q718-Y720 WeakPolarHBondContact O-CD2 3.35Å; Q718-Y720 PolarHBondContact O-N 3.3Å; Q718-Y720 PolarHBondContact OE1-OH 2.89Å
719	L	45.8	Very low	47.7	Very low	28 Å²	28	85.3 Å²	85.3	15%	0.147	47%	0.469	C	S	.	.			trans	-78.9	68	-179.5	-69.6	175.8	0	0	0	110	V569 P573 V576 F620 A721	V569-L719 HydrophobicContact CB-CB 4.15Å; V569-L719 HydrophobicContact CG1-CB 3.67Å; V569-L719 HydrophobicContact CG1-CD1 4.07Å; V569-L719 HydrophobicContact CG1-CG 4.45Å; V569-L719 PolarHBondContact O-N 3.45Å; P573-L719 HydrophobicContact CG-CD2 3.93Å; V576-L719 HydrophobicContact CG1-CD1 4.25Å; V576-L719 HydrophobicContact CG2-CD1 4.06Å; F620-L719 HydrophobicContact CZ-CD1 4.19Å; L719-A721 PolarHBondContact O-N 2.9Å
720	Y	33.6	Very low	45.1	Very low	141 Å²	141	91.6 Å²	91.6	55%	0.553	50%	0.497	S	S	*	.			trans	-52.4	125.8	158.6	-70.8	-81.8	0	0	0	108.3	Q718 L722	Q718-Y720 HydrophobicContact CB-CD2 4Å; Q718-Y720 HydrophobicContact CB-CE2 3.75Å; Q718-Y720 WeakPolarHBondContact O-CD2 3.35Å; Q718-Y720 PolarHBondContact O-N 3.3Å; Q718-Y720 PolarHBondContact OE1-OH 2.89Å; Y720-L722 PolarHBondContact O-N 2.82Å
721	A	29.2	Very low	42.5	Very low	98 Å²	98	97.3 Å²	97.3	81%	0.81	53%	0.534	S	S	*	.	S	Bend	trans	-65.7	96.6	-174.9	0	0	0	0	0	111.4	L719	L719-A721 PolarHBondContact O-N 2.9Å
722	L	30.8	Very low	39.9	Very low	82 Å²	82	102.6 Å²	102.6	43%	0.429	57%	0.571	S	S	.	*	S	Bend	trans	60.3	84	172.9	-64.1	168.5	0	0	0	116	Q616 E617 Y720	Q616-L722 HydrophobicContact CB-CD2 4.32Å; E617-L722 HydrophobicContact CG-CD1 4.12Å; Y720-L722 PolarHBondContact O-N 2.82Å
723	S	25.2	Very low	37.5	Very low	92 Å²	92	107 Å²	107	64%	0.643	60%	0.602	S	S	*	*			trans	-151	140.5	157.7	60	0	0	0	0	113.7
724	S	25.8	Very low	34.9	Very low	115 Å²	115	111.7 Å²	111.7	80%	0.804	63%	0.627	S	S	*	*			trans	81.1	99.9	162.8	-50.4	0	0	0	0	119
725	E	25.8	Very low	32.9	Very low	199 Å²	199	117.6 Å²	117.6	93%	0.93	66%	0.663	S	S	*	*			trans	-113.6	138.8	141.4	-72.2	-172.8	136	0	0	108
726	E	24.1	Very low	31.3	Very low	184 Å²	184	121.7 Å²	121.7	86%	0.86	68%	0.682	S	S	*	*			trans	-111.2	145.7	164.7	-73.1	-162.8	143.4	0	0	110.1
727	P	29.1	Very low	30.1	Very low	117 Å²	117	121.6 Å²	121.6	76%	0.76	68%	0.677	S	S	*	*			trans	-78.5	131.4	-176	-10	27.5	0	0	0	112.4
728	Q	24.4	Very low	28.9	Very low	190 Å²	190	124.9 Å²	124.9	89%	0.888	70%	0.699	S	S	*	*			trans	-70.8	145	164.5	-69.7	-69.4	-33.3	0	0	110.7
729	V	27.5	Very low	27.6	Very low	130 Å²	130	126.9 Å²	126.9	79%	0.788	72%	0.72	S	S	*	*			trans	-126.3	113.9	-179.9	178.4	0	0	0	0	109.6
730	E	26.1	Very low	26.6	Very low	177 Å²	177	130.9 Å²	130.9	83%	0.827	75%	0.75	S	S	*	*			trans	-75	146.6	169.6	-76.4	-70.7	152.3	0	0	111
731	P	26.6	Very low	26.3	Very low	120 Å²	120	128.5 Å²	128.5	78%	0.779	76%	0.76	S	S	*	*			trans	-84.4	132.5	-175.3	32.9	-33.1	0	0	0	113.1
732	S	23.9	Very low	26.1	Very low	118 Å²	118	131.7 Å²	131.7	83%	0.825	76%	0.762	S	S	*	*			trans	-125.1	135.8	163.6	62	0	0	0	0	109.8
733	S	26.7	Very low	26.5	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	78%	0.777	S	S	*	*			trans	-90.7	170.5	-169.5	60.6	0	0	0	0	114.8
734	D	24.7	Very low	26.6	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	79%	0.788	S	S	*	*			trans	75.4	96	153.4	-49.1	-43	0	0	0	120
735	V	27.7	Very low	26.6	Very low	129 Å²	129	139.4 Å²	139.4	78%	0.782	79%	0.789	S	S	*	*			trans	-45.9	155	137.9	-79.3	0	0	0	0	111.8
736	E	28.2	Very low	26.5	Very low	158 Å²	158	137.3 Å²	137.3	74%	0.738	78%	0.783	S	S	*	*			cis	-150.7	-156.6	19.3	-132.5	165.8	-140	0	0	108.5
737	N	25.1	Very low	26.6	Very low	121 Å²	121	132.8 Å²	132.8	65%	0.647	78%	0.777	S	S	*	*			cis	-155.4	167.7	14.4	-137.6	-41.3	0	0	0	115.5
738	V	26	Very low	26.4	Very low	119 Å²	119	132.5 Å²	132.5	72%	0.721	78%	0.778	S	S	*	*			trans	-12	114.2	164	163.7	0	0	0	0	121.1
739	S	24.1	Very low	26.5	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	77%	0.774	S	S	*	*				53.2	161.9	99.8	-147.6	0	0	0	0	124.5
740	S	25	Very low	26.3	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	78%	0.775	S	S	*	*			trans	84.1	140.6	168.3	81.5	0	0	0	0	117.6
741	A	25.6	Very low	26.3	Very low	91 Å²	91	132.2 Å²	132.2	75%	0.752	78%	0.778	S	S	*	*			cis	-150.9	163.5	1.3	0	0	0	0	0	115.3
742	L	25.6	Very low	26.2	Very low	164 Å²	164	135.1 Å²	135.1	86%	0.859	78%	0.781	S	S	*	*			trans	-10.2	168.9	150	-71.8	150.8	0	0	0	121.5
743	P	40.1	Very low	26.4	Very low	114 Å²	114	135.5 Å²	135.5	74%	0.74	78%	0.778	S	S	*	*			cis	-134.7	-171.3	-9.2	33	-10.9	0	0	0	115.4
744	N	26.6	Very low	26.5	Very low	165 Å²	165	136.2 Å²	136.2	88%	0.882	78%	0.783	S	S	*	*			trans	-105.4	152.3	170.1	-82.9	-26.5	0	0	0	113.3
745	E	24.9	Very low	26.5	Very low	173 Å²	173	140.2 Å²	140.2	81%	0.808	79%	0.787	S	S	*	*			trans	-150.6	161.3	160.7	-89.6	-154.2	104.6	0	0	108.8
746	L	25.4	Very low	26.6	Very low	154 Å²	154	139.7 Å²	139.7	81%	0.806	78%	0.78	S	S	*	*			cis	-156.2	167.8	-32.6	-169.2	61.1	0	0	0	107.3
747	A	25.6	Very low	26.6	Very low	89 Å²	89	140.2 Å²	140.2	74%	0.736	78%	0.78	S	S	*	*			trans	-85.7	149	-168.4	0	0	0	0	0	116.8
748	S	25.4	Very low	26.8	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	79%	0.787	S	S	*	*			trans	176.6	125.7	137	36.5	0	0	0	0	109.6
749	L	25.5	Very low	28.6	Very low	157 Å²	157	141.5 Å²	141.5	82%	0.822	79%	0.789	S	S	*	*				82.6	117.7	61.9	-91.1	171	0	0	0	115.7
750	T	23.6	Very low	28.6	Very low	129 Å²	129	143.3 Å²	143.3	79%	0.791	79%	0.791	S	S	*	*			trans	61.5	133.8	168.9	44.3	0	0	0	0	117.2
751	K	26.2	Very low	28.8	Very low	205 Å²	205	141.6 Å²	141.6	89%	0.891	78%	0.779	S	S	*	*				-162	168.4	50.4	-131	163.7	-171.4	173.9	0	112.7
752	Q	24.7	Very low	29	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	78%	0.779	S	S	*	*			trans	-91.9	-178.6	167.8	-66.9	175.2	-73.4	0	0	112.5
753	V	26.9	Very low	29.2	Very low	126 Å²	126	143.8 Å²	143.8	76%	0.764	78%	0.778	S	S	*	*			trans	113.6	84	149.7	-171	0	0	0	0	117.2
754	S	29.2	Very low	28.5	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	77%	0.77	S	S	*	*				21.3	145.8	119.5	-39.4	0	0	0	0	123
755	R	26	Very low	28.4	Very low	227 Å²	227	141.1 Å²	141.1	86%	0.857	77%	0.768	S	S	*	*			trans	-158.3	127.2	147.5	-104.2	162.1	-171.3	177.8	2.6	108.4
756	D	29.2	Very low	28.7	Very low	119 Å²	119	142 Å²	142	64%	0.636	77%	0.769	S	S	*	*				68.1	138.3	95.5	-76.6	-1.1	0	0	0	113.9
757	K	28.6	Very low	29.7	Very low	169 Å²	169	140 Å²	140	74%	0.735	77%	0.766	S	S	*	*			cis	-165.9	167.7	-1.2	-114.9	163.3	-172.3	138.7	0	111.3
758	D	29	Very low	30	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	77%	0.767	S	S	*	*			trans	-82.5	-167.4	174.1	-29.5	-101.4	0	0	0	112.8
759	P	62.6	Low	30.1	Very low	119 Å²	119	142.6 Å²	142.6	77%	0.773	77%	0.768	S	S	*	*			cis	-135.3	-173.3	-19.7	36	-16.1	0	0	0	114.5
760	N	25.7	Very low	30.5	Very low	145 Å²	145	141 Å²	141	78%	0.775	77%	0.765	S	S	*	*				151.7	147	115.7	-156.5	24.1	0	0	0	118.4
761	S	28.7	Very low	30.8	Very low	77 Å²	77	138.7 Å²	138.7	54%	0.538	76%	0.759	S	S	.	*			trans	60.1	116.4	143.4	62.9	0	0	0	0	127.2
762	T	30.2	Very low	31.2	Very low	123 Å²	123	137.7 Å²	137.7	76%	0.755	76%	0.757	S	S	*	*				73.3	142.2	121.8	59.7	0	0	0	0	126.8
763	E	28.1	Very low	32.5	Very low	178 Å²	178	134.7 Å²	134.7	83%	0.832	75%	0.753	S	S	*	*			trans	71.4	161.8	145.1	-79.5	-158.4	-148.4	0	0	121.9
764	S	25.6	Very low	32.5	Very low	83 Å²	83	132.4 Å²	132.4	58%	0.58	76%	0.755	S	S	*	*			cis	-169.3	173.6	-26	59.8	0	0	0	0	113.8
765	V	26.2	Very low	32.6	Very low	139 Å²	139	133 Å²	133	84%	0.842	75%	0.75	S	S	*	*			trans	77.5	152.3	153.9	170.6	0	0	0	0	122.4
766	F	30.2	Very low	32.8	Very low	191 Å²	191	132.4 Å²	132.4	84%	0.838	75%	0.747	S	S	*	*			trans	-107.3	164.4	-178.8	-94.8	-84.3	0	0	0	112.8
767	P	47.5	Very low	32.7	Very low	114 Å²	114	134.7 Å²	134.7	74%	0.74	75%	0.754	S	S	*	*				-151.7	149.4	102.4	37.1	-18.6	0	0	0	118.7
768	T	30.6	Very low	32.8	Very low	121 Å²	121	137.3 Å²	137.3	74%	0.742	76%	0.76	S	S	*	*			trans	29.5	133.4	132.4	-38.2	0	0	0	0	120.3
769	V	28.9	Very low	32.7	Very low	132 Å²	132	136.5 Å²	136.5	80%	0.8	76%	0.76	S	S	*	*				-159.9	135.6	85	156.7	0	0	0	0	114
770	T	32.6	Very low	31.1	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	76%	0.758	S	S	*	*			trans	-21.2	158.4	171	56.8	0	0	0	0	121.4
771	A	30.6	Very low	32.3	Very low	79 Å²	79	136.5 Å²	136.5	65%	0.653	76%	0.755	S	S	*	*			cis	-149.2	-161.1	17.5	0	0	0	0	0	111.6
772	H	34	Very low	32.4	Very low	184 Å²	184	139.9 Å²	139.9	85%	0.852	77%	0.766	S	S	*	*			cis	-156.4	180	2.4	-113.2	-31.5	0	0	0	109.2
773	P	52.1	Low	33.4	Very low	120 Å²	120	139.7 Å²	139.7	78%	0.779	77%	0.767	S	S	*	*			trans	-128	167.1	-153.6	44.4	-33.5	0	0	0	120.7
774	G	27.2	Very low	33.7	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	76%	0.764	S	S	*	*			trans	111.3	153.1	148.6	0	0	0	0	0	117.8
775	D	31.7	Very low	34.9	Very low	123 Å²	123	138.7 Å²	138.7	66%	0.658	77%	0.771	S	S	*	*			cis	-167.2	155.8	-18.5	-168.6	12.1	0	0	0	110.7
776	R	29.9	Very low	35.1	Very low	213 Å²	213	136.5 Å²	136.5	80%	0.804	77%	0.768	S	S	*	*			trans	58.3	179.5	166.9	-73.8	163.7	-130.6	-152.8	-1.2	120.2
777	Q	27.4	Very low	35.1	Very low	167 Å²	167	138.2 Å²	138.2	78%	0.78	77%	0.769	S	S	*	*				-177.7	150.5	-64.4	-130	-170.4	25.1	0	0	110.1
778	R	29.2	Very low	34.1	Very low	224 Å²	224	139.3 Å²	139.3	85%	0.845	77%	0.768	S	S	*	*			trans	67.5	158.7	172.7	-64.2	-177	164.2	-175.6	-4.7	116.1
779	T	27.1	Very low	34	Very low	132 Å²	132	141.1 Å²	141.1	81%	0.81	77%	0.772	S	S	*	*			cis	-149.7	157.6	9.9	-20	0	0	0	0	113.6
780	E	30.4	Very low	34.1	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.724	77%	0.768	S	S	*	*			trans	-69.8	-178.2	160.1	-77.9	-77.6	155.5	0	0	113.1
781	P	49.1	Very low	35.3	Very low	109 Å²	109	139.6 Å²	139.6	71%	0.708	77%	0.769	S	S	*	*			cis	-138.4	-177.8	-1.7	21.2	6.3	0	0	0	118.3
782	L	31.3	Very low	35.2	Very low	147 Å²	147	141.9 Å²	141.9	77%	0.77	78%	0.78	S	S	*	*			trans	-16.8	170	145.2	-63.7	169.8	0	0	0	119.9
783	P	50.8	Low	35	Very low	120 Å²	120	137.1 Å²	137.1	78%	0.779	77%	0.773	S	S	*	*			cis	-147.7	-172.8	25.7	44.3	-22.4	0	0	0	120.1
784	V	35.2	Very low	33.9	Very low	126 Å²	126	140.3 Å²	140.3	76%	0.764	78%	0.777	S	S	*	*			trans	-82.8	178.4	167.2	-111.6	0	0	0	0	112
785	P	50.5	Low	34.1	Very low	114 Å²	114	139.9 Å²	139.9	74%	0.74	77%	0.766	S	S	*	*			cis	-153.1	161.9	34.1	43.7	-21.4	0	0	0	122.2
786	A	30.7	Very low	34	Very low	93 Å²	93	142.8 Å²	142.8	77%	0.769	77%	0.774	S	S	*	*			trans	39.3	147.4	135.8	0	0	0	0	0	126.9
787	R	30.1	Very low	33.9	Very low	226 Å²	226	139.4 Å²	139.4	85%	0.853	77%	0.771	S	S	*	*			trans	110.6	125.5	137.5	-94	-170.7	164	172.2	-3.6	122.4
788	L	27.7	Very low	33.8	Very low	137 Å²	137	138.9 Å²	138.9	72%	0.717	77%	0.772	S	S	*	*			trans	86.9	136.7	136.7	-72.7	172.1	0	0	0	124
789	L	27.3	Very low	33.6	Very low	160 Å²	160	133.5 Å²	133.5	84%	0.838	77%	0.769	S	S	*	*			trans	78.5	158.8	146.2	-72	163.9	0	0	0	122.1
790	S	31	Very low	33.6	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	77%	0.766	S	S	*	*			trans	-142.1	-175.6	177.9	63.7	0	0	0	0	107.6
791	P	58.8	Low	35	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	77%	0.765	S	S	*	*			cis	-126.1	-178.1	-18	41.3	-27.2	0	0	0	112.5
792	S	27	Very low	34.9	Very low	127 Å²	127	130.4 Å²	130.4	89%	0.888	77%	0.767	S	S	*	*			trans	-178.8	-174.8	141.5	-154.9	0	0	0	0	112.1
793	A	29.5	Very low	34.9	Very low	84 Å²	84	131.3 Å²	131.3	69%	0.694	77%	0.767	S	S	*	*			trans	-142.5	178.6	-172.6	0	0	0	0	0	114.9
794	E	30.7	Very low	33.7	Very low	187 Å²	187	133.4 Å²	133.4	87%	0.874	76%	0.764	S	S	*	*			trans	72.3	153.5	166.6	-64.2	-155.6	156	0	0	119.1
795	A	30.1	Very low	33.4	Very low	69 Å²	69	134.2 Å²	134.2	57%	0.57	76%	0.759	S	S	*	*			cis	-171.6	-162.9	-20.8	0	0	0	0	0	110.8
796	F	29.4	Very low	32.5	Very low	185 Å²	185	134.4 Å²	134.4	81%	0.811	76%	0.759	S	S	*	*			trans	75.8	147.6	165.3	-67.8	-94.5	0	0	0	119.1
797	L	27.8	Very low	33.1	Very low	142 Å²	142	135.6 Å²	135.6	74%	0.743	76%	0.759	S	S	*	*			cis	-165.7	-173.2	-23.6	-129.7	-164	0	0	0	111.4
798	L	26.6	Very low	34.6	Very low	156 Å²	156	130.4 Å²	130.4	82%	0.817	75%	0.754	S	S	*	*			trans	82.3	150.1	168.2	-58.5	165	0	0	0	117.7
799	S	25.2	Very low	34.6	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	76%	0.757	S	S	*	*			cis	-163.9	174.4	-25.1	-164.5	0	0	0	0	110.9
800	S	27.2	Very low	34.8	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	75%	0.749	S	S	*	*			trans	-107.8	-154.8	-169.3	-42.1	0	0	0	0	114.6
801	P	58.2	Low	34.7	Very low	110 Å²	110	127.4 Å²	127.4	71%	0.714	75%	0.747	S	S	*	*				-112.5	-159.9	-70.4	39.6	-23.1	0	0	0	112
802	P	48.8	Very low	33.2	Very low	114 Å²	114	130.2 Å²	130.2	74%	0.74	75%	0.747	S	S	*	*				-139.8	146.1	71.4	23.2	1.5	0	0	0	115.5
803	E	30.5	Very low	33.2	Very low	166 Å²	166	131.2 Å²	131.2	78%	0.776	74%	0.742	S	S	*	*				68.9	112.1	84.1	-59.6	-165.4	149.9	0	0	119.6
804	K	26.5	Very low	33.1	Very low	165 Å²	165	132.9 Å²	132.9	72%	0.717	74%	0.744	S	S	*	*				175.9	118.5	105.3	-92.1	-172.3	177.2	-97.9	0	111.9
805	E	27.9	Very low	34.3	Very low	142 Å²	142	129.1 Å²	129.1	66%	0.664	74%	0.736	S	S	*	*				73.6	116.8	94.9	-67.7	-171.8	124.5	0	0	114.3
806	T	31.7	Very low	34.1	Very low	119 Å²	119	131.5 Å²	131.5	73%	0.73	75%	0.747	S	S	*	*				76	157.5	51	68.4	0	0	0	0	113.9
807	P	43.2	Very low	34.1	Very low	118 Å²	118	131 Å²	131	77%	0.766	75%	0.752	S	S	*	*			cis	-138.5	-178.1	13.3	44	-25.9	0	0	0	117.5
808	P	61.8	Low	34.1	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	75%	0.751	S	S	*	*			trans	-111	173.9	169.9	41	-33.3	0	0	0	114.8
809	S	28.6	Very low	34.2	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	76%	0.757	S	S	*	*			trans	-161.8	129.1	163	-76.6	0	0	0	0	108.2
810	S	30.1	Very low	34.1	Very low	97 Å²	97	132 Å²	132	68%	0.678	76%	0.757	S	S	*	*				73.5	143	59.6	81.3	0	0	0	0	112.2
811	L	29.5	Very low	35.4	Very low	130 Å²	130	132 Å²	132	68%	0.681	75%	0.754	S	S	*	*			cis	-157.6	159.4	38.6	-68.3	162.7	0	0	0	114.1
812	F	27.6	Very low	33.9	Very low	180 Å²	180	132.8 Å²	132.8	79%	0.789	76%	0.763	S	S	*	*			trans	58.5	159.1	148.3	-65.4	-44.9	0	0	0	120.6
813	L	26.9	Very low	33.1	Very low	148 Å²	148	132.6 Å²	132.6	78%	0.775	76%	0.764	S	S	*	*			cis	-152	178.8	5.9	-127.7	159.1	0	0	0	110.6
814	T	28	Very low	33.9	Very low	120 Å²	120	130.1 Å²	130.1	74%	0.736	76%	0.763	S	S	*	*			trans	-135.7	179.5	176.3	58.2	0	0	0	0	109.8
815	P	54.1	Low	34	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	77%	0.766	S	S	*	*			cis	-132.3	-171.4	-13	41.4	-23.9	0	0	0	114.7
816	C	27.3	Very low	34	Very low	118 Å²	118	125.2 Å²	125.2	80%	0.797	77%	0.77	S	S	*	*			trans	60.9	126	150.9	-69.1	0	0	0	0	122.7
817	L	28.2	Very low	33.8	Very low	176 Å²	176	126.8 Å²	126.8	92%	0.921	77%	0.773	S	S	*	*				-169.6	168	111.2	-103.5	169.7	0	0	0	112
818	S	27.8	Very low	33.1	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	77%	0.77	S	S	*	*			trans	-104.5	152.5	-178.1	-48.5	0	0	0	0	112.3
819	L	28.3	Very low	31.4	Very low	178 Å²	178	128.4 Å²	128.4	93%	0.932	76%	0.763	S	S	*	*			trans	175.7	146.3	131	-96.3	160.5	0	0	0	113.6
820	D	24.9	Very low	31.3	Very low	145 Å²	145	132.1 Å²	132.1	78%	0.775	77%	0.766	S	S	*	*			trans	-87.6	179.1	161.6	-115.8	-33.8	0	0	0	109.6
821	P	54.7	Low	31.2	Very low	106 Å²	106	132 Å²	132	69%	0.688	77%	0.765	S	S	*	*			cis	-132.7	177.1	-26.2	39.1	-24.2	0	0	0	112.5
822	S	26.6	Very low	31	Very low	127 Å²	127	131.4 Å²	131.4	89%	0.888	77%	0.77	S	S	*	*			trans	170.6	150.4	134.2	47.8	0	0	0	0	114.7
823	S	32.1	Very low	31.1	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	77%	0.774	S	S	*	*			trans	-126.6	151.8	160.8	-158.2	0	0	0	0	106.8
824	P	46.7	Very low	31.2	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	77%	0.774	S	S	*	*				-154.6	153.8	84.2	39	-19.1	0	0	0	118.6
825	S	27.8	Very low	32	Very low	113 Å²	113	128 Å²	128	79%	0.79	77%	0.773	S	S	*	*			trans	47.5	109.7	134.3	-53.5	0	0	0	0	124.1
826	A	28.8	Very low	30.8	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	78%	0.776	S	S	*	*				-157.5	134.9	130	0	0	0	0	0	106.9
827	L	26.8	Very low	31	Very low	151 Å²	151	128.4 Å²	128.4	79%	0.791	78%	0.779	S	S	*	*			cis	63.8	125.7	46.3	-52.7	-169.6	0	0	0	112.1
828	H	28.4	Very low	31.2	Very low	151 Å²	151	126.3 Å²	126.3	70%	0.699	77%	0.774	S	S	*	*			cis	-154.5	164.1	11.3	-144.5	-100	0	0	0	112.2
829	L	26.3	Very low	32.3	Very low	119 Å²	119	127 Å²	127	62%	0.623	78%	0.776	S	S	*	*			trans	6.1	136.6	163.6	-97.6	55.3	0	0	0	122.6
830	F	27.3	Very low	32.4	Very low	186 Å²	186	124 Å²	124	82%	0.816	77%	0.77	S	S	*	*				166.8	119.1	107.3	-92.5	-76.7	0	0	0	106.8
831	S	26.9	Very low	32.7	Very low	95 Å²	95	122.7 Å²	122.7	66%	0.664	77%	0.772	S	S	*	*				65.8	103.7	55.3	-159.8	0	0	0	0	114.5
832	C	26.5	Very low	31.5	Very low	117 Å²	117	121.2 Å²	121.2	79%	0.791	77%	0.768	S	S	*	*			trans	40.2	128.5	154.2	-58	0	0	0	0	121.5
833	V	28.8	Very low	31.6	Very low	141 Å²	141	121.7 Å²	121.7	86%	0.855	76%	0.761	S	S	*	*				-175.4	162.4	99.8	149.6	0	0	0	0	109.7
834	T	28.6	Very low	31.8	Very low	129 Å²	129	124.4 Å²	124.4	79%	0.791	76%	0.761	S	S	*	*			trans	-96	-157.5	-178	58.3	0	0	0	0	111.4
835	P	45.9	Very low	31.9	Very low	108 Å²	108	123.9 Å²	123.9	70%	0.701	76%	0.758	S	S	*	*				-124.5	179	-116.3	35.6	-14.8	0	0	0	116.5
836	S	29	Very low	31.9	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	76%	0.756	S	S	*	*			trans	69.9	117.8	157.5	68.8	0	0	0	0	119.8
837	S	30.3	Very low	33.3	Very low	122 Å²	122	124 Å²	124	85%	0.853	76%	0.756	S	S	*	*				176.6	164.5	115.8	43.7	0	0	0	0	111.4
838	T	32	Very low	33.4	Very low	133 Å²	133	122.8 Å²	122.8	82%	0.816	75%	0.75	S	S	*	*			trans	-139	167.1	176.5	52.5	0	0	0	0	108.7
839	P	52.8	Low	33.4	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	76%	0.756	S	S	*	*			cis	-132	-167.6	-41.3	38	-22.7	0	0	0	111.7
840	S	29.3	Very low	33.5	Very low	115 Å²	115	125.2 Å²	125.2	80%	0.804	76%	0.761	S	S	*	*			trans	114	143.3	147.4	-158.9	0	0	0	0	118.1
841	S	30.5	Very low	33.8	Very low	116 Å²	116	121.2 Å²	121.2	81%	0.811	76%	0.756	S	S	*	*			trans	66.3	145.4	164.1	-154.4	0	0	0	0	119
842	A	30.6	Very low	35.1	Very low	75 Å²	75	121.6 Å²	121.6	62%	0.62	76%	0.756	S	S	*	*				-173.3	147.6	-50.8	0	0	0	0	0	109.1
843	N	29.3	Very low	35.3	Very low	137 Å²	137	121.7 Å²	121.7	73%	0.733	75%	0.754	S	S	*	*			trans	63.6	120	149.5	-68.3	-0.9	0	0	0	123.2
844	H	34.6	Very low	35.3	Very low	167 Å²	167	122.2 Å²	122.2	77%	0.773	75%	0.752	S	S	*	*				89.1	152	129.8	-75	-44.2	0	0	0	121.9
845	P	49.2	Very low	35.3	Very low	105 Å²	105	124.4 Å²	124.4	68%	0.682	75%	0.753	S	S	*	*			trans	-145.4	177.5	-134.1	45.2	-25.6	0	0	0	118.5
846	A	28.3	Very low	34.4	Very low	90 Å²	90	125.4 Å²	125.4	74%	0.744	76%	0.758	S	S	*	*			trans	65.8	-169.8	146.1	0	0	0	0	0	117
847	P	59	Low	34.7	Very low	117 Å²	117	125.4 Å²	125.4	76%	0.76	76%	0.758	S	S	*	*				-130.8	179.9	-77.9	39.9	-26.7	0	0	0	113.5
848	D	27.5	Very low	35.5	Very low	124 Å²	124	125.5 Å²	125.5	66%	0.663	76%	0.755	S	S	*	*				-162.7	156.2	129.4	-134.5	-12.7	0	0	0	117.8
849	R	28.3	Very low	35.5	Very low	215 Å²	215	124.8 Å²	124.8	81%	0.811	75%	0.754	S	S	*	*			trans	52.3	135.6	151.1	-81.4	151.7	-151.6	-90.1	-7.3	125.9
850	S	29.8	Very low	35.5	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	75%	0.751	S	S	*	*			trans	-87.2	166.8	165.3	54	0	0	0	0	112.1
851	S	32.2	Very low	35.5	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	75%	0.752	S	S	*	*				161.4	-174.6	68.6	58	0	0	0	0	108.8
852	P	54.8	Low	35.6	Very low	103 Å²	103	126 Å²	126	67%	0.669	75%	0.748	S	S	*	*			cis	-136.2	-165.3	-41.9	30.9	-8.6	0	0	0	114.2
853	T	29.8	Very low	36.5	Very low	120 Å²	120	128 Å²	128	74%	0.736	76%	0.755	S	S	*	*			trans	109.7	124.8	145.5	52.1	0	0	0	0	123.7
854	N	29.6	Very low	36.7	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	76%	0.758	S	S	*	*			trans	97.2	152.9	142.4	-70.3	-3.2	0	0	0	123.1
855	Q	28.6	Very low	37.4	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	76%	0.757	S	S	*	*			trans	-100.1	177.1	-165.7	-54.5	168.5	4.4	0	0	109.4
856	T	27.6	Very low	37.5	Very low	130 Å²	130	125.1 Å²	125.1	80%	0.798	76%	0.757	S	S	*	*			cis	-166	173.4	42.1	-9.6	0	0	0	0	111.3
857	S	33.9	Very low	37.8	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	77%	0.765	S	S	*	*			trans	-79.5	-172.9	176	-29	0	0	0	0	112.8
858	P	47.9	Very low	36.4	Very low	123 Å²	123	131.8 Å²	131.8	80%	0.799	77%	0.769	S	S	*	*			cis	-143.4	-167.7	26.3	43.6	-21.2	0	0	0	118
859	C	31.4	Very low	36.5	Very low	119 Å²	119	135 Å²	135	80%	0.804	78%	0.777	S	S	*	*			trans	-102.9	-159.1	176.7	-47.6	0	0	0	0	110.7
860	P	53.8	Low	36.6	Very low	110 Å²	110	134.2 Å²	134.2	71%	0.714	78%	0.78	S	S	*	*			cis	-144.3	-161.6	-1.5	32	-4.6	0	0	0	116.7
861	I	29.2	Very low	37.3	Very low	161 Å²	161	134.2 Å²	134.2	83%	0.826	78%	0.778	S	S	*	*			trans	114.3	147.7	153.2	-60.5	162.5	0	0	0	118.5
862	S	33.1	Very low	37.2	Very low	104 Å²	104	138 Å²	138	73%	0.727	79%	0.789	S	S	*	*			trans	-110.8	-168.8	-167.5	60.5	0	0	0	0	112.6
863	P	49	Very low	36	Very low	117 Å²	117	138.2 Å²	138.2	76%	0.76	79%	0.793	S	S	*	*			cis	-144.7	-156	16.8	45.1	-21.7	0	0	0	117.6
864	T	33.2	Very low	36.2	Very low	129 Å²	129	138 Å²	138	79%	0.791	80%	0.796	S	S	*	*			trans	-106.4	-169.6	-178.5	55.3	0	0	0	0	111.8
865	P	49.1	Very low	36.9	Very low	115 Å²	115	137 Å²	137	75%	0.747	80%	0.798	S	S	*	*			cis	-133.5	-118.4	9.7	29.1	0.8	0	0	0	118.5
866	P	51.3	Low	37	Very low	106 Å²	106	133.8 Å²	133.8	69%	0.688	80%	0.795	S	S	*	*				-132.5	174.1	-110	43.5	-25.9	0	0	0	120.4
867	F	34.2	Very low	37.4	Very low	207 Å²	207	137 Å²	137	91%	0.908	80%	0.798	S	S	*	*			trans	34.5	139.3	150.3	-91	-82.7	0	0	0	124.1
868	V	29.5	Very low	37.1	Very low	140 Å²	140	141.3 Å²	141.3	85%	0.848	81%	0.805	S	S	*	*			trans	178.1	166.3	130.7	143.9	0	0	0	0	112.3
869	F	31.3	Very low	36.4	Very low	191 Å²	191	139.6 Å²	139.6	84%	0.838	80%	0.802	S	S	*	*			trans	-134.8	149.3	-171.6	-142.2	-80.4	0	0	0	111.3
870	F	30.3	Very low	37	Very low	198 Å²	198	139.1 Å²	139.1	87%	0.868	80%	0.797	S	S	*	*			trans	157.1	172.3	158.2	-87.6	-52.1	0	0	0	110.7
871	P	43	Very low	35.9	Very low	108 Å²	108	140.3 Å²	140.3	70%	0.701	80%	0.803	S	S	*	*				-124.8	-179	-58.8	38.5	-22.9	0	0	0	112.2
872	L	30.6	Very low	36.1	Very low	179 Å²	179	137.8 Å²	137.8	94%	0.937	80%	0.799	S	S	*	*			trans	-135.8	144.3	165.1	-105	170.5	0	0	0	111.5
873	S	30	Very low	36.7	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	80%	0.8	S	S	*	*			trans	-115.8	152	-172.3	-61.2	0	0	0	0	112.5
874	S	33.7	Very low	35.9	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	80%	0.798	S	S	*	*			trans	-86.8	158.1	170.2	53	0	0	0	0	112.5
875	P	44.8	Very low	35.9	Very low	131 Å²	131	136.8 Å²	136.8	85%	0.851	80%	0.798	S	S	*	*				-135.4	-172.6	125.6	38.4	-27.8	0	0	0	112.6
876	S	30.3	Very low	35.1	Very low	107 Å²	107	138 Å²	138	75%	0.748	80%	0.802	S	S	*	*			trans	-138.6	147.2	-163.4	62.2	0	0	0	0	115.3
877	K	36.4	Very low	34.1	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.865	81%	0.809	S	S	*	*			trans	48.4	117.6	155.6	-71	-175.3	173.7	-177.5	0	119
878	Q	26.8	Very low	35	Very low	200 Å²	200	136.2 Å²	136.2	94%	0.935	80%	0.797	S	S	*	*				-176	166.7	111.9	-102.2	172	-1.8	0	0	112.2
879	A	32.9	Very low	35.1	Very low	87 Å²	87	136 Å²	136	72%	0.719	80%	0.795	S	S	*	*			trans	-114.6	164.9	166.5	0	0	0	0	0	107.3
880	P	45.2	Very low	35.1	Very low	110 Å²	110	134.4 Å²	134.4	71%	0.714	80%	0.795	S	S	*	*				-153.5	-160	53.2	42.8	-20.1	0	0	0	116.3
881	T	29.3	Very low	35.3	Very low	134 Å²	134	133.3 Å²	133.3	82%	0.822	79%	0.79	S	S	*	*			trans	72.9	137.8	156	45.1	0	0	0	0	121.3
882	S	34.3	Very low	35.5	Very low	108 Å²	108	134 Å²	134	76%	0.755	80%	0.795	S	S	*	*			trans	-99.3	165.5	162.1	57.7	0	0	0	0	110.2
883	P	46.6	Very low	35.8	Very low	114 Å²	114	130.1 Å²	130.1	74%	0.74	78%	0.782	S	S	*	*				-153.7	158.9	92	41.3	-23.2	0	0	0	118.1
884	S	31.8	Very low	37.2	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	78%	0.783	S	S	*	*			trans	44.4	123.3	143.3	65.8	0	0	0	0	124.7
885	S	32.8	Very low	38.2	Very low	113 Å²	113	131 Å²	131	79%	0.79	78%	0.783	S	S	*	*				65.8	122.8	127.1	-163.5	0	0	0	0	122.4
886	V	31.9	Very low	37.9	Very low	139 Å²	139	130.1 Å²	130.1	84%	0.842	78%	0.78	S	S	*	*				-175.8	154	118.7	148.2	0	0	0	0	110.4
887	Q	30.3	Very low	38.3	Very low	178 Å²	178	131.5 Å²	131.5	83%	0.832	78%	0.784	S	S	*	*			trans	-142.6	-178.2	179	-125	-162.2	8.8	0	0	108.5
888	P	52.4	Low	39	Very low	99 Å²	99	127.4 Å²	127.4	64%	0.643	78%	0.778	S	S	*	*			cis	-132.6	173.2	-19.4	39.2	-23.5	0	0	0	114.7
889	T	31.6	Very low	40.3	Very low	134 Å²	134	124.1 Å²	124.1	82%	0.822	77%	0.774	S	S	*	*			trans	-177.9	150	162.7	12.4	0	0	0	0	108.5
890	L	32.4	Very low	40.4	Very low	158 Å²	158	124.6 Å²	124.6	83%	0.827	78%	0.778	S	S	*	*			cis	-155.1	-171.8	-25.8	-130.4	-178.8	0	0	0	108.6
891	F	33.7	Very low	40	Very low	176 Å²	176	124 Å²	124	77%	0.772	78%	0.782	S	S	*	*			trans	-122.4	154.2	177.2	-97.5	-77.6	0	0	0	111.6
892	P	47.3	Very low	41	Very low	122 Å²	122	123.8 Å²	123.8	79%	0.792	78%	0.783	S	S	*	*				-147.8	159.6	93.7	39.9	-23.5	0	0	0	117.4
893	S	37.6	Very low	41.2	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	79%	0.788	S	S	*	*			trans	-89.1	-168.1	160.9	-30.7	0	0	0	0	109.8
894	P	58.3	Low	41.1	Very low	119 Å²	119	126.2 Å²	126.2	77%	0.773	79%	0.787	S	S	*	*			cis	-128	-142.9	15.6	36.7	-10.6	0	0	0	110.5
895	P	56	Low	41.1	Very low	122 Å²	122	126.2 Å²	126.2	79%	0.792	79%	0.787	S	S	*	*			cis	-138.4	-168.3	-4	42.9	-21.5	0	0	0	118.9
896	S	39	Very low	41.3	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	79%	0.791	S	S	*	*			trans	-69.7	173.2	-169.4	-44.3	0	0	0	0	122.2
897	T	37.9	Very low	42	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	79%	0.789	S	S	*	*			trans	-57	163.8	166.9	4.9	0	0	0	0	116.3
898	P	50.6	Low	42.3	Very low	114 Å²	114	130.1 Å²	130.1	74%	0.74	79%	0.79	S	S	*	*				-154.7	-155.3	75	44.7	-24.2	0	0	0	114.2
899	P	54.3	Low	41.4	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	80%	0.802	S	S	*	*			cis	-118.7	-149.6	-32.4	30.1	-7.6	0	0	0	112.1
900	A	35.5	Very low	41.5	Very low	98 Å²	98	130.7 Å²	130.7	81%	0.81	79%	0.792	S	S	*	*			trans	-146	175.4	-168.5	0	0	0	0	0	117.2
901	A	37.4	Very low	41.5	Very low	98 Å²	98	131.7 Å²	131.7	81%	0.81	79%	0.793	S	S	*	*			trans	79.4	159.4	168.9	0	0	0	0	0	117.9
902	P	49.6	Very low	41.5	Very low	128 Å²	128	130.8 Å²	130.8	83%	0.831	79%	0.791	S	S	*	*			cis	-129.7	-167.4	8.6	44.1	-27.4	0	0	0	117
903	L	38.4	Very low	40.9	Very low	163 Å²	163	131.2 Å²	131.2	85%	0.853	79%	0.786	S	S	*	*			trans	-85.4	162.6	-174.4	-69.7	156.5	0	0	0	115.6
904	P	45	Very low	41	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	79%	0.791	S	S	*	*				-130.9	122.7	123.7	34	-23.4	0	0	0	111.4
905	S	31.6	Very low	40.2	Very low	103 Å²	103	136.4 Å²	136.4	72%	0.72	79%	0.793	S	S	*	*				70	108.8	78	74.6	0	0	0	0	115.7
906	Y	36.3	Very low	39.6	Very low	225 Å²	225	138.1 Å²	138.1	88%	0.882	79%	0.791	S	S	*	*			trans	-65.5	163.4	173.2	-77.6	-92.1	0	0	0	113.9
907	P	47.7	Very low	39.8	Very low	124 Å²	124	144.3 Å²	144.3	81%	0.805	81%	0.812	S	S	*	*				-122.2	162.8	125.1	36.4	-32.3	0	0	0	113.7
908	L	36.2	Very low	39.9	Very low	163 Å²	163	144.8 Å²	144.8	85%	0.853	81%	0.811	S	S	*	*			trans	-109.5	140	174.3	-75.5	164	0	0	0	110.5
909	L	34.2	Very low	39.3	Very low	168 Å²	168	146.4 Å²	146.4	88%	0.88	82%	0.815	S	S	*	*			trans	-168.9	125.3	151.9	-90.8	172.3	0	0	0	104.2
910	A	32.7	Very low	38.5	Very low	76 Å²	76	147.3 Å²	147.3	63%	0.628	81%	0.814	S	S	*	*			cis	87.7	113.7	32.7	0	0	0	0	0	114.1
911	E	32.9	Very low	38.7	Very low	179 Å²	179	150.2 Å²	150.2	84%	0.836	81%	0.814	S	S	*	*			trans	64.2	154.5	163.8	-66	174.1	150.3	0	0	116.2
912	E	33.9	Very low	38.8	Very low	157 Å²	157	153.4 Å²	153.4	73%	0.734	81%	0.814	S	S	*	*			cis	-151.6	-169.8	-4.3	-134	-171.3	148	0	0	112.3
913	L	34.5	Very low	38.1	Very low	132 Å²	132	155.1 Å²	155.1	69%	0.691	81%	0.813	S	S	*	*			trans	-22.1	133.2	166.1	-65.9	163.8	0	0	0	116.8
914	L	39.8	Very low	38	Very low	151 Å²	151	154.6 Å²	154.6	79%	0.791	81%	0.81	S	S	*	*				70.9	100.5	66.6	-175.2	135.7	0	0	0	114.4
915	E	40.8	Very low	37.5	Very low	173 Å²	173	157.9 Å²	157.9	81%	0.808	82%	0.817	S	S	*	*			trans	-156.9	176.3	139.8	-127.4	-177.4	177.1	0	0	113.9
916	Q	43.6	Very low	38	Very low	159 Å²	159	162.5 Å²	162.5	74%	0.743	83%	0.825	S	S	*	*			trans	-81.6	149.7	-154.4	-59.2	148.4	49.6	0	0	115.6
917	I	43.5	Very low	38.1	Very low	243 Å²	243	156.8 Å²	156.8	100%	1.246	82%	0.82	S	S	*	*				-153.6	0	114.7	-97	161.7	0	0	0	108.5

Retrieved 917 of 917 residues in 350.2 ms (Link to these results)

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