A0A5K4F275_SCHMA Loading...

Protein transport protein Sec24B

AlphaFold DB , UniProt , Accession A0A5K4F275, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,230 aa.

						>A0A5K4F275_SCHMA|A0A5K4F275
MPYFPKGNYSGNSIPNADWNDFSHKSPLKQQHLFNSNEGLSCTPQANRVLTQSATDPYQYPAYPNTLNCVEGRSSNESFQNSIPSSGLFTIPSGTQNQLNCSVPQLVSAPPPDYGINGPSVTTNNTNLAYIPTTRPTSGGFLHPPRSYEINSHSQSFPTTNTVSSSSTQLNSLYSPFHANAYPNFNSSNQYNPSVYSPLHSPTIENNQVYTSQGGSNSVCDYTGYSQSSNLECRSSVPFNSGDHPTSEFTNMQAVPQVYGEQQQHSSLNSQFDKPSPILPPNPRTLTPGQNALPFTTAYDMDPSVKSPSLYPPRVTNEAHAVPNSVGSYGMAPPLPPVPMMTNNATYQNHPQPPLPRPGNTLPSTIPRHTAYEQSGVFRTPGTAASISDWSSLKTPINLLQERCLLPSDGPDLPPKPALTTPINCDQDVMRCTLTNVPSTSKLLTQCRLPLGLVMHPFRDMSSLHTISSTTIVRCRSCRTYINPFVQFMDSGRRWRCSVCFLANTIPDEFYYDPGTQTYGDPSRRPEIRSATVEFIAPSEYTVRPPQPATYLFCFDVSHNAIATGYLQLACKRLEALIDRIPGDCRRQIAFMTFNSSVHYYKLCGETMKMLICPDLEEIFLPDDEGLINRVEDSGGSLRDFLLHLPENFIGTNDTGNCLGSALQAALKLIGAVGGRITVFTTCLPTVGSGALSLREEPCDRSSVDVKHFGASTDFYKTYALDCSHKQVGVDMFIFNSQYCDIATISGASRYSSGTVHHYPDFYYTPDEDEHILHADGKINFTSDDCNKQQKSVCIGVEQFRRDFDRYLTRKLGFEAVMRIRCTQGLAIQTFHGSCFVRSTDLIALPNVSPDSGYAVQLDISESLEKCATVCCQAAVLYTSSKGDRRIRVHTLCLPVVHTATEVFQGADQGSIACLLSKMAVDRTISSGLSNAREALANAVADALSAYATTSGITLNSNSTAYGLPCPPNLRLLPLYICGLLRFKAFRVGVTTRLDDRSAALERIKTAPPTDLLTLIYPKLYAVHRFVSKPLSSHATLAQKAASLRLVDHNDDQRPSDCDGTSSSNGSESNSEADQLPCQLHLSAQYITRSGVFLLDTGELLLLLVGCGEDVPPGSNNDSDILRQLIGISSPRQLPAQGGPFVLPPINLSNEKQNTITNDNTSIPIGRRRLSALINLIRRRRPINNALVLMRHDSSSNLRSLFLSCMVEDKTESAPSYQEFLQMIQNLVRT
					

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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	26.4	Very low	33.8	Very low	239 Å²	239	152.9 Å²	152.9	100%	1.177	83%	0.825	S	S	*	*				0	157.1	0	-77.8	-165.6	178.9	0	0	108.7
2	P	41.6	Very low	33.8	Very low	96 Å²	96	153.8 Å²	153.8	62%	0.623	83%	0.829	S	S	*	*			cis	-146.9	175.7	-41.2	42.4	-26.4	0	0	0	114.6
3	Y	36.4	Very low	33.8	Very low	213 Å²	213	149.4 Å²	149.4	84%	0.835	82%	0.817	S	S	*	*			trans	62	170.1	152	-67.1	-59.9	0	0	0	121.8
4	F	32.4	Very low	34.2	Very low	203 Å²	203	150 Å²	150	89%	0.89	82%	0.817	S	S	*	*			trans	71.2	155.1	170.8	-82.2	-95.6	0	0	0	119.3
5	P	43.6	Very low	35.1	Very low	98 Å²	98	146.6 Å²	146.6	64%	0.636	81%	0.805	S	S	*	*			trans	-132.1	-178	-151.8	44.4	-28.9	0	0	0	116.7
6	K	29.7	Very low	34.9	Very low	214 Å²	214	147.3 Å²	147.3	93%	0.93	81%	0.807	S	S	*	*			trans	75.1	139.2	173.2	-54.5	176.3	179.8	179.8	0	115.7
7	G	29.8	Very low	34.9	Very low	76 Å²	76	143.7 Å²	143.7	78%	0.784	80%	0.802	S	S	*	*			trans	153.4	128.8	167.3	0	0	0	0	0	113.2
8	N	30	Very low	34.8	Very low	142 Å²	142	143.4 Å²	143.4	76%	0.759	80%	0.799	S	S	*	*			trans	-86.4	170.8	176.8	-70.6	-12	0	0	0	112.3
9	Y	33.8	Very low	34.6	Very low	204 Å²	204	147.1 Å²	147.1	80%	0.8	80%	0.799	S	S	*	*			trans	92.7	102.4	155	-66.2	-70.3	0	0	0	121.1
10	S	35.6	Very low	34.4	Very low	118 Å²	118	146 Å²	146	83%	0.825	79%	0.793	S	S	*	*			trans	57.7	124.5	130.3	62.6	0	0	0	0	122.5
11	G	32.5	Very low	34.2	Very low	79 Å²	79	144.8 Å²	144.8	81%	0.814	79%	0.785	S	S	*	*			trans	168.8	122.8	157.5	0	0	0	0	0	115.6
12	N	33.9	Very low	34.4	Very low	164 Å²	164	141.7 Å²	141.7	88%	0.877	77%	0.766	S	S	*	*			trans	-70.3	163.1	170.2	-66.9	-15.4	0	0	0	111.2
13	S	34.1	Very low	34	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	77%	0.767	S	S	*	*			cis	-172	144.7	5.7	31.6	0	0	0	0	113.1
14	I	38.5	Very low	33.8	Very low	158 Å²	158	139.1 Å²	139.1	81%	0.81	76%	0.763	S	S	*	*				44.5	135.7	124.7	-48.5	170.7	0	0	0	119.3
15	P	48.2	Very low	33.7	Very low	99 Å²	99	138.7 Å²	138.7	64%	0.643	76%	0.761	S	S	*	*			cis	-148.6	-163.9	-25.9	44.6	-24.2	0	0	0	116.5
16	N	32.3	Very low	33	Very low	157 Å²	157	139.3 Å²	139.3	84%	0.84	77%	0.767	S	S	*	*			trans	106.3	146	144	-79.7	5.9	0	0	0	123.7
17	A	34.9	Very low	33.8	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	75%	0.753	S	S	*	*			trans	86.4	90.4	156.7	0	0	0	0	0	122
18	D	31.7	Very low	33.8	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	75%	0.754	S	S	*	*				84.8	119.6	107.9	-73.8	22.4	0	0	0	126.9
19	W	31.8	Very low	34	Very low	214 Å²	214	138.2 Å²	138.2	81%	0.811	75%	0.751	S	S	*	*			trans	83.3	129.5	141.8	-70.3	48.7	0	0	0	123.9
20	N	30.7	Very low	33.9	Very low	125 Å²	125	134 Å²	134	67%	0.668	74%	0.739	S	S	*	*			trans	57.1	151.2	152.5	-61.2	15.7	0	0	0	119.7
21	D	30.5	Very low	33.8	Very low	120 Å²	120	136.5 Å²	136.5	64%	0.642	74%	0.737	S	S	*	*			cis	-163.8	-178	13.6	-141.1	-38.2	0	0	0	113.9
22	F	31	Very low	34	Very low	174 Å²	174	138.5 Å²	138.5	76%	0.763	73%	0.725	S	S	*	*			trans	57.6	93	156.9	-71.6	-66.6	0	0	0	124.4
23	S	32.3	Very low	33.8	Very low	92 Å²	92	136.7 Å²	136.7	64%	0.643	71%	0.714	S	S	*	*				39.9	143.3	122.1	78.1	0	0	0	0	126.7
24	H	32.1	Very low	33.8	Very low	163 Å²	163	140 Å²	140	76%	0.755	72%	0.717	S	S	*	*			trans	77.8	101.2	139.3	-84.5	-43.8	0	0	0	123.9
25	K	30.2	Very low	33.4	Very low	195 Å²	195	139.1 Å²	139.1	85%	0.848	71%	0.714	S	S	*	*				158.7	156.2	98.9	-93.4	162.6	-178.2	173.1	0	114.9
26	S	30.1	Very low	32.6	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	72%	0.717	S	S	*	*			trans	-96	-163.6	174.4	62.1	0	0	0	0	110
27	P	45.1	Very low	32.5	Very low	99 Å²	99	138.7 Å²	138.7	64%	0.643	71%	0.714	S	S	*	*			cis	-156.9	167.4	28.4	45.5	-23.1	0	0	0	121.7
28	L	31	Very low	32.4	Very low	153 Å²	153	143.6 Å²	143.6	80%	0.801	72%	0.722	S	S	*	*			trans	57.7	-178.6	139.8	-65.1	168.3	0	0	0	119.1
29	K	32.9	Very low	32.3	Very low	157 Å²	157	140.8 Å²	140.8	68%	0.683	73%	0.726	S	S	*	*			cis	-156.6	179.7	-4.9	-134.4	170.7	179.3	-154.8	0	108.1
30	Q	31.9	Very low	32.4	Very low	117 Å²	117	138.6 Å²	138.6	55%	0.547	73%	0.729	S	S	.	*			cis	-156.3	-169.5	-1.7	-163.4	167.1	-92.2	0	0	108	H32	Q30-H32 PolarHBondContact NE2-NE2 3.01Å
31	Q	35.1	Very low	32.5	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	73%	0.729	S	S	*	*			trans	100.3	153.9	155	-51.2	-154.9	72.9	0	0	116.8
32	H	35.3	Very low	32.6	Very low	122 Å²	122	138 Å²	138	57%	0.565	74%	0.742	S	S	*	*			cis	-175.8	155.2	-40.6	-92.3	-32.1	0	0	0	106.9	Q30	Q30-H32 PolarHBondContact NE2-NE2 3.01Å
33	L	30.9	Very low	32.6	Very low	125 Å²	125	135.3 Å²	135.3	65%	0.654	74%	0.741	S	S	*	*			cis	-138.9	-158	-2.2	-112.5	164.5	0	0	0	106.2
34	F	34.2	Very low	33.1	Very low	167 Å²	167	137.1 Å²	137.1	73%	0.732	75%	0.75	S	S	*	*			cis	-149.2	-139.7	8.5	-139.5	-40.3	0	0	0	110.3
35	N	29.6	Very low	33	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	75%	0.752	S	S	*	*			trans	-104.8	169.3	178.2	-57	-20.9	0	0	0	110.3
36	S	32.1	Very low	33.2	Very low	102 Å²	102	133 Å²	133	71%	0.713	75%	0.752	S	S	*	*			cis	-163.1	165.9	26.2	51.5	0	0	0	0	114.4
37	N	29.4	Very low	33.2	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	75%	0.753	S	S	*	*			trans	81.7	145.7	158.6	-77.2	14.8	0	0	0	121.8
38	E	33.3	Very low	32.5	Very low	189 Å²	189	141.9 Å²	141.9	88%	0.883	77%	0.767	S	S	*	*			trans	69.3	138	158.4	-73.2	171.5	-146.8	0	0	122
39	G	29.5	Very low	32.6	Very low	79 Å²	79	141.1 Å²	141.1	81%	0.814	77%	0.768	S	S	*	*			trans	101.7	37	137.7	0	0	0	0	0	120.9	S41	G39-S41 PolarHBondContact O-N 3.3Å
40	L	32.6	Very low	32.4	Very low	169 Å²	169	141.3 Å²	141.3	89%	0.885	78%	0.775	S	S	*	*			trans	-80.4	107.1	175.7	-104.6	170.8	0	0	0	114.4
41	S	34.2	Very low	32.5	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	79%	0.786	S	S	*	*			trans	44.8	111.5	149.4	61.2	0	0	0	0	119.9	G39 T43	G39-S41 PolarHBondContact O-N 3.3Å; S41-T43 PolarHBondContact O-N 3.46Å
42	C	32.1	Very low	32.3	Very low	136 Å²	136	142.1 Å²	142.1	92%	0.919	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.9	124.3	173.1	-58.4	0	0	0	0	113.9
43	T	31.5	Very low	32	Very low	119 Å²	119	141.7 Å²	141.7	73%	0.73	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-85.8	135.8	155.7	51.2	0	0	0	0	110.7	S41	S41-T43 PolarHBondContact O-N 3.46Å
44	P	42.4	Very low	32	Very low	129 Å²	129	140.2 Å²	140.2	84%	0.838	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.1	138.7	160.5	31.2	-31.6	0	0	0	110
45	Q	30.3	Very low	31.9	Very low	171 Å²	171	138.8 Å²	138.8	80%	0.799	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.6	145.6	-171.7	-63.4	163.3	-54.5	0	0	112.9
46	A	33.1	Very low	31.8	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	81%	0.812	S	S	*	*			trans	-137.2	102.1	156.2	0	0	0	0	0	108.5
47	N	30.9	Very low	32.1	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	81%	0.812	S	S	*	*			trans	-68.9	132.6	-178.9	-75.1	-26.7	0	0	0	111.2
48	R	30	Very low	32.2	Very low	248 Å²	248	142.8 Å²	142.8	94%	0.936	82%	0.815	S	S	*	*			trans	-135.9	127	153.9	-142.1	174.6	-169.7	-178.2	2.2	109.4
49	V	34.3	Very low	31.9	Very low	136 Å²	136	142.3 Å²	142.3	82%	0.824	81%	0.812	S	S	*	*			trans	-79.5	150.6	-170.8	175.4	0	0	0	0	111.1
50	L	27	Very low	32.1	Very low	161 Å²	161	148.7 Å²	148.7	84%	0.843	81%	0.814	S	S	*	*			trans	-86.6	119.3	178.8	-79.4	160.3	0	0	0	112.9
51	T	34.7	Very low	32	Very low	125 Å²	125	145.5 Å²	145.5	77%	0.767	80%	0.803	S	S	*	*			trans	-145.2	122.7	146.1	46.2	0	0	0	0	105.2
52	Q	30.5	Very low	31.8	Very low	178 Å²	178	145.7 Å²	145.7	83%	0.832	81%	0.81	S	S	*	*				50.9	125.5	65.2	-62.2	-172.2	-1.6	0	0	112.9
53	S	30.3	Very low	31.8	Very low	113 Å²	113	149.1 Å²	149.1	79%	0.79	81%	0.805	S	S	*	*			cis	-171.2	124.5	-9.8	46.8	0	0	0	0	110
54	A	30.2	Very low	31.9	Very low	95 Å²	95	148.5 Å²	148.5	79%	0.785	80%	0.803	S	S	*	*			trans	179.5	122.5	155.7	0	0	0	0	0	109.5
55	T	31.3	Very low	31.4	Very low	137 Å²	137	150.2 Å²	150.2	84%	0.84	81%	0.806	S	S	*	*			trans	-140.7	96.3	171.5	50.7	0	0	0	0	109.2	P57	T55-P57 WeakPolarHBondContact O-CD 3.19Å
56	D	28.5	Very low	31.5	Very low	146 Å²	146	147.9 Å²	147.9	78%	0.781	80%	0.803	S	S	*	*			trans	-83.5	118.5	171.7	-73	-46.2	0	0	0	110.3	Y58	D56-Y58 PolarHBondContact O-N 2.93Å
57	P	37.9	Very low	31.5	Very low	111 Å²	111	151.1 Å²	151.1	72%	0.721	81%	0.805	S	S	*	*			trans	-88.2	98.9	176.3	33.6	-30.1	0	0	0	110.3	T55 Q59	T55-P57 WeakPolarHBondContact O-CD 3.19Å; P57-Q59 VanDerWaalsContact C-N 3.31Å; P57-Q59 PolarHBondContact O-N 3.27Å
58	Y	31	Very low	31.4	Very low	212 Å²	212	150.9 Å²	150.9	83%	0.831	80%	0.804	S	S	*	*			trans	-67.7	89.9	166.8	-86.4	-81	0	0	0	110.5	D56 Y60	D56-Y58 PolarHBondContact O-N 2.93Å; Y58-Y60 PolarHBondContact O-N 3.46Å
59	Q	27.8	Very low	31.4	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	80%	0.801	S	S	*	*			trans	-64.8	114.7	165.7	-70.5	-176	-53.2	0	0	109.3	P57	P57-Q59 VanDerWaalsContact C-N 3.31Å; P57-Q59 PolarHBondContact O-N 3.27Å
60	Y	33	Very low	31.3	Very low	214 Å²	214	145.5 Å²	145.5	84%	0.839	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.2	131.7	160.7	-83.5	-91.4	0	0	0	109.1	Y58	Y58-Y60 PolarHBondContact O-N 3.46Å
61	P	32.1	Very low	31.4	Very low	101 Å²	101	147.2 Å²	147.2	66%	0.656	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70	133.3	175.6	29.1	-33.7	0	0	0	110.3	Y63	P61-Y63 PolarHBondContact O-N 2.7Å
62	A	30	Very low	31.1	Very low	99 Å²	99	144.6 Å²	144.6	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.4	126.2	171	0	0	0	0	0	109.8	P64	A62-P64 WeakPolarHBondContact O-CD 3.43Å
63	Y	31	Very low	31.1	Very low	209 Å²	209	147.6 Å²	147.6	82%	0.82	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83	121.2	172.3	-83.4	-91.4	0	0	0	110.3	P61 N65	P61-Y63 PolarHBondContact O-N 2.7Å; Y63-N65 PolarHBondContact O-N 3.21Å
64	P	33.6	Very low	31	Very low	106 Å²	106	147.7 Å²	147.7	69%	0.688	81%	0.808	S	S	*	*			trans	-88.3	98.9	177.8	33.2	-31.6	0	0	0	111.4	A62 T66	A62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-T66 PolarHBondContact O-N 3.47Å; P64-T66 VanDerWaalsContact O-N 3.11Å
65	N	31.7	Very low	31.1	Very low	165 Å²	165	148.5 Å²	148.5	88%	0.882	81%	0.809	S	S	*	*			trans	-79.3	85.1	164.6	-87.4	8.1	0	0	0	109.9	Y63	Y63-N65 PolarHBondContact O-N 3.21Å
66	T	32	Very low	31	Very low	121 Å²	121	149.4 Å²	149.4	74%	0.742	81%	0.808	S	S	*	*			trans	-132.7	92.5	170.4	52.3	0	0	0	0	110.5	P64	P64-T66 PolarHBondContact O-N 3.47Å; P64-T66 VanDerWaalsContact O-N 3.11Å
67	L	34.1	Very low	31.2	Very low	169 Å²	169	151.5 Å²	151.5	89%	0.885	81%	0.813	S	S	*	*			trans	-87.6	110.6	169.2	-104.8	164.4	0	0	0	109.7
68	N	29.3	Very low	31	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	81%	0.808	S	S	*	*			trans	8.9	106.8	162.8	-60.5	-23.4	0	0	0	118.5
69	C	30.2	Very low	30.9	Very low	130 Å²	130	149 Å²	149	88%	0.878	81%	0.806	S	S	*	*			trans	-148.2	122.8	136.1	-123	0	0	0	0	109.4
70	V	31.9	Very low	31	Very low	141 Å²	141	147.1 Å²	147.1	86%	0.855	80%	0.798	S	S	*	*			trans	-123.9	113.2	-179.7	175.9	0	0	0	0	108.3
71	E	27.9	Very low	30.9	Very low	198 Å²	198	142.7 Å²	142.7	93%	0.925	79%	0.789	S	S	*	*			trans	-105.1	133.5	166.4	-70.9	-157.1	132.5	0	0	110.5
72	G	28.9	Very low	30.9	Very low	69 Å²	69	142.4 Å²	142.4	71%	0.711	79%	0.789	S	S	*	*			trans	-175.3	83.2	-174.6	0	0	0	0	0	115.2
73	R	29.9	Very low	31	Very low	241 Å²	241	145.6 Å²	145.6	91%	0.909	79%	0.791	S	S	*	*			trans	75.4	78.9	158.4	-57.2	-179.8	175.1	-178.7	-2.2	119
74	S	28.7	Very low	31.4	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	79%	0.785	S	S	*	*				16.3	130.9	119.9	61.7	0	0	0	0	121
75	S	31.5	Very low	31.1	Very low	113 Å²	113	140.7 Å²	140.7	79%	0.79	79%	0.787	S	S	*	*			trans	-156	111.3	138.9	61.6	0	0	0	0	113.4
76	N	30.5	Very low	31	Very low	156 Å²	156	138.8 Å²	138.8	83%	0.834	79%	0.786	S	S	*	*			trans	16	126.4	155.9	-54.3	-9.2	0	0	0	122
77	E	32.7	Very low	30.7	Very low	190 Å²	190	136.1 Å²	136.1	89%	0.888	78%	0.783	S	S	*	*				167.5	150.2	114.3	-89.5	179.9	-174.1	0	0	109.5
78	S	32.6	Very low	30.5	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	78%	0.781	S	S	*	*			cis	-169.2	126.8	-21.9	55.4	0	0	0	0	111.1
79	F	29.7	Very low	30.3	Very low	182 Å²	182	137.9 Å²	137.9	80%	0.798	78%	0.784	S	S	*	*			trans	62.5	151.5	157.8	-75.1	-115.2	0	0	0	118.3
80	Q	30.6	Very low	30.2	Very low	141 Å²	141	138.1 Å²	138.1	66%	0.659	78%	0.782	S	S	*	*			cis	-161.1	162.3	-17.7	-129.8	-173.1	0.7	0	0	111.3
81	N	31.1	Very low	30.2	Very low	120 Å²	120	138.6 Å²	138.6	64%	0.642	78%	0.778	S	S	*	*			trans	71.6	99.3	148.2	-61.6	-14.5	0	0	0	123.8
82	S	31.2	Very low	30.8	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	77%	0.767	S	S	*	*				91.4	105.5	101.6	78.8	0	0	0	0	124.2
83	I	31.5	Very low	30.9	Very low	165 Å²	165	136.1 Å²	136.1	85%	0.846	77%	0.769	S	S	*	*			trans	64.5	161	138.4	27	175	0	0	0	121
84	P	39	Very low	31	Very low	108 Å²	108	128.3 Å²	128.3	70%	0.701	76%	0.763	S	S	*	*				-142.9	-162.1	-127.9	44.4	-22	0	0	0	117.5
85	S	27.7	Very low	31.2	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	76%	0.761	S	S	*	*			trans	103.4	145.8	145.5	79.7	0	0	0	0	121.3
86	S	30.4	Very low	31.2	Very low	125 Å²	125	130.9 Å²	130.9	87%	0.874	76%	0.759	S	S	*	*			trans	74.4	142.8	165.3	77.9	0	0	0	0	120.4
87	G	25.6	Very low	31.3	Very low	66 Å²	66	130.3 Å²	130.3	68%	0.68	76%	0.756	S	S	*	*			trans	127	93.2	138.1	0	0	0	0	0	120.4
88	L	29.5	Very low	31.3	Very low	160 Å²	160	129.1 Å²	129.1	84%	0.838	75%	0.75	S	S	*	*			trans	42.4	131.4	145.2	-72.4	89.1	0	0	0	123.8
89	F	26.4	Very low	31.2	Very low	189 Å²	189	133.3 Å²	133.3	83%	0.829	77%	0.765	S	S	*	*			trans	9.9	132.8	136.4	-63.3	-89.7	0	0	0	121.1
90	T	28	Very low	31.2	Very low	135 Å²	135	131.6 Å²	131.6	83%	0.828	76%	0.764	S	S	*	*				-175	144.5	105.4	-72.7	0	0	0	0	110.9
91	I	31.8	Very low	31	Very low	150 Å²	150	131.3 Å²	131.3	77%	0.769	78%	0.776	S	S	*	*			trans	-113.4	157.6	170.4	-21.2	176.6	0	0	0	108.3
92	P	39.3	Very low	30.7	Very low	108 Å²	108	131.5 Å²	131.5	70%	0.701	79%	0.787	S	S	*	*				-154.4	156.4	93.6	40.2	-22.2	0	0	0	118.4
93	S	31.7	Very low	30.7	Very low	107 Å²	107	133 Å²	133	75%	0.748	79%	0.792	S	S	*	*			trans	57	120.9	141.7	63.6	0	0	0	0	123
94	G	30.9	Very low	31	Very low	77 Å²	77	131.1 Å²	131.1	79%	0.794	79%	0.791	S	S	*	*			trans	-154.7	144.6	150.5	0	0	0	0	0	109
95	T	33.1	Very low	30.6	Very low	124 Å²	124	135 Å²	135	76%	0.761	80%	0.799	S	S	*	*			trans	-129.2	150.6	-152.8	46	0	0	0	0	117.9
96	Q	32.8	Very low	30.8	Very low	158 Å²	158	138.3 Å²	138.3	74%	0.738	81%	0.808	S	S	*	*			trans	69.2	109.7	150.6	-75.5	177.2	-9.4	0	0	121
97	N	33.1	Very low	30.8	Very low	145 Å²	145	138.3 Å²	138.3	78%	0.775	80%	0.802	S	S	*	*				-177.3	106.5	102.6	-87.8	-26.9	0	0	0	108.9
98	Q	31.9	Very low	30.9	Very low	164 Å²	164	141 Å²	141	77%	0.766	81%	0.811	S	S	*	*				58	105.8	87.8	-77.7	-155.6	8.3	0	0	116.2
99	L	31.2	Very low	30.9	Very low	176 Å²	176	137.6 Å²	137.6	92%	0.921	81%	0.806	S	S	*	*				-154.4	143.7	118.5	-106.1	167.2	0	0	0	108.9
100	N	28.7	Very low	31.3	Very low	146 Å²	146	134.6 Å²	134.6	78%	0.781	81%	0.805	S	S	*	*			trans	-112.4	159.4	-169.3	-84.5	-10.1	0	0	0	112.3
101	C	27.5	Very low	31.6	Very low	134 Å²	134	133.9 Å²	133.9	91%	0.905	80%	0.803	S	S	*	*				-162.3	111.8	127.4	-126.9	0	0	0	0	112.6
102	S	24	Very low	32	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	81%	0.806	S	S	*	*			trans	-141.2	149	171.9	-65.7	0	0	0	0	111.9
103	V	30.6	Very low	31.7	Very low	127 Å²	127	134.1 Å²	134.1	77%	0.77	81%	0.807	S	S	*	*			trans	-37.2	143.9	178.6	-173.4	0	0	0	0	116.8
104	P	37.1	Very low	31.7	Very low	126 Å²	126	139 Å²	139	82%	0.818	81%	0.81	S	S	*	*			trans	-89.5	129.4	157.9	34.5	-29.7	0	0	0	112.1
105	Q	31.3	Very low	31.8	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	81%	0.809	S	S	*	*			trans	-117	159.3	169.8	-117.6	-172	-1.5	0	0	110.8
106	L	32.9	Very low	31.8	Very low	174 Å²	174	139.9 Å²	139.9	91%	0.911	81%	0.808	S	S	*	*			trans	-97.3	144.3	178.7	-138.6	81.8	0	0	0	112.4
107	V	30	Very low	31.9	Very low	126 Å²	126	140.1 Å²	140.1	76%	0.764	82%	0.815	S	S	*	*			trans	-56.3	143.2	-168.8	-180	0	0	0	0	115.6
108	S	27.2	Very low	31.6	Very low	123 Å²	123	136.5 Å²	136.5	86%	0.86	81%	0.812	S	S	*	*			trans	-140.9	148.7	145.8	-78.7	0	0	0	0	109
109	A	30	Very low	32	Very low	88 Å²	88	134.9 Å²	134.9	73%	0.727	82%	0.815	S	S	*	*			trans	-147.9	139.2	-172.9	0	0	0	0	0	114
110	P	33.5	Very low	31.9	Very low	126 Å²	126	132.2 Å²	132.2	82%	0.818	81%	0.811	S	S	*	*			trans	-110	176.4	163.2	37.8	-26.6	0	0	0	112.4
111	P	36	Very low	32.2	Very low	119 Å²	119	131.1 Å²	131.1	77%	0.773	81%	0.809	S	S	*	*			trans	-102.1	164.7	-146.4	38.7	-37.8	0	0	0	117.4
112	P	39.4	Very low	32.5	Very low	128 Å²	128	130.6 Å²	130.6	83%	0.831	80%	0.802	S	S	*	*			trans	-94.8	169.6	165.4	39.1	-34.1	0	0	0	112.8
113	D	33	Very low	33	Very low	135 Å²	135	130.3 Å²	130.3	72%	0.722	80%	0.795	S	S	*	*			trans	-139.3	154.3	-178	-157.7	4.5	0	0	0	114
114	Y	32.4	Very low	33.1	Very low	210 Å²	210	130.2 Å²	130.2	82%	0.824	79%	0.791	S	S	*	*			trans	60.4	129.8	176.5	-76.5	-79.2	0	0	0	121.9
115	G	32.5	Very low	33	Very low	75 Å²	75	130.2 Å²	130.2	77%	0.773	78%	0.784	S	S	*	*			trans	-168.7	39.3	-179	0	0	0	0	0	117.7
116	I	33.6	Very low	33.3	Very low	144 Å²	144	126.3 Å²	126.3	74%	0.738	77%	0.773	S	S	*	*			trans	19.3	114.9	161.1	-51.8	173.7	0	0	0	119
117	N	35.2	Very low	33.3	Very low	164 Å²	164	124.8 Å²	124.8	88%	0.877	77%	0.766	S	S	*	*				180	152.5	122.3	-98.7	-60.8	0	0	0	113.5
118	G	26.3	Very low	33.5	Very low	69 Å²	69	126 Å²	126	71%	0.711	77%	0.767	S	S	*	*			trans	-100.6	-159.1	175.6	0	0	0	0	0	113.5
119	P	39.8	Very low	33.6	Very low	129 Å²	129	124.2 Å²	124.2	84%	0.838	76%	0.76	S	S	*	*			cis	-135.7	-171.9	22.9	42.7	-24.8	0	0	0	116.2
120	S	28.8	Very low	33.7	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	77%	0.765	S	S	*	*			trans	-111.9	158.7	-177.7	-44.6	0	0	0	0	113.7
121	V	36.2	Very low	33.7	Very low	123 Å²	123	131 Å²	131	75%	0.745	76%	0.761	S	S	*	*			trans	-141.6	112.2	175	-179.3	0	0	0	0	111.9
122	T	33.5	Very low	34	Very low	123 Å²	123	130.7 Å²	130.7	76%	0.755	76%	0.759	S	S	*	*			trans	57.9	145.5	162.2	62.2	0	0	0	0	118.7
123	T	33.7	Very low	33.7	Very low	119 Å²	119	131 Å²	131	73%	0.73	76%	0.759	S	S	*	*			cis	-167.9	174.6	-7.6	21.1	0	0	0	0	106.5
124	N	33.8	Very low	33.7	Very low	126 Å²	126	131.1 Å²	131.1	67%	0.674	77%	0.765	S	S	*	*			cis	-155.2	173.2	7.5	-145	-4.2	0	0	0	111.3
125	N	35.1	Very low	33.5	Very low	126 Å²	126	132.4 Å²	132.4	67%	0.674	77%	0.768	S	S	*	*			trans	57.7	137.6	156.7	-65.8	-4.9	0	0	0	119.7
126	T	36.8	Very low	33.9	Very low	106 Å²	106	133.6 Å²	133.6	65%	0.65	76%	0.762	S	S	*	*			cis	-165.8	139.5	-10.4	16.8	0	0	0	0	108.7
127	N	32.9	Very low	33.7	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	76%	0.763	S	S	*	*			trans	51.7	143.8	147.2	-61.5	-19.6	0	0	0	120.3
128	L	34	Very low	33.5	Very low	152 Å²	152	130.7 Å²	130.7	80%	0.796	76%	0.762	S	S	*	*			cis	-157.6	159.2	0.4	-122.1	166.6	0	0	0	108.2
129	A	28.4	Very low	33.7	Very low	85 Å²	85	131.6 Å²	131.6	70%	0.702	77%	0.772	S	S	*	*			trans	-136.5	151.9	179.2	0	0	0	0	0	111.8
130	Y	32.9	Very low	33.2	Very low	213 Å²	213	128.4 Å²	128.4	84%	0.835	76%	0.762	S	S	*	*			trans	-151.1	86.4	168.8	-123.3	-80.8	0	0	0	114.2
131	I	33.2	Very low	33.4	Very low	144 Å²	144	132.5 Å²	132.5	74%	0.738	77%	0.765	S	S	*	*				46.5	139	126.4	-62.7	175.7	0	0	0	120.9
132	P	42.7	Very low	33.2	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	77%	0.77	S	S	*	*			trans	-122.9	172.6	-165.1	44.3	-31.3	0	0	0	117.8
133	T	32.2	Very low	33	Very low	134 Å²	134	137 Å²	137	82%	0.822	77%	0.773	S	S	*	*			trans	-171.3	151.1	167.5	36.2	0	0	0	0	110.4
134	T	32.9	Very low	33.6	Very low	138 Å²	138	136.4 Å²	136.4	85%	0.847	77%	0.771	S	S	*	*			cis	-162	179.2	-13.7	11.9	0	0	0	0	111.8
135	R	28.5	Very low	33.8	Very low	237 Å²	237	136.1 Å²	136.1	89%	0.894	78%	0.776	S	S	*	*			trans	-84	179.5	171.7	-102.8	-175.6	179.8	-174.2	0.8	112.9
136	P	40.7	Very low	33.6	Very low	100 Å²	100	141.1 Å²	141.1	65%	0.649	79%	0.786	S	S	*	*			cis	-143.4	172.4	-23.1	36.9	-16.6	0	0	0	117.6
137	T	29.8	Very low	33.2	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	79%	0.785	S	S	*	*			trans	62.4	131.4	144.3	46.8	0	0	0	0	126
138	S	31.7	Very low	33.1	Very low	122 Å²	122	144.7 Å²	144.7	85%	0.853	79%	0.792	S	S	*	*			trans	110.3	136.3	133.8	76.7	0	0	0	0	121.5
139	G	29.6	Very low	32.8	Very low	88 Å²	88	145.4 Å²	145.4	91%	0.907	79%	0.791	S	S	*	*			trans	82.8	136.8	170.1	0	0	0	0	0	116.8
140	G	30.1	Very low	33	Very low	61 Å²	61	147.7 Å²	147.7	63%	0.629	79%	0.791	S	S	*	*			cis	170.6	166.1	-8.4	0	0	0	0	0	112.5
141	F	32.3	Very low	32.9	Very low	207 Å²	207	144.9 Å²	144.9	91%	0.908	79%	0.79	S	S	*	*			trans	69	149.5	173.2	-60.7	-79.5	0	0	0	116.8
142	L	32.8	Very low	32.8	Very low	161 Å²	161	142.5 Å²	142.5	84%	0.843	79%	0.786	S	S	*	*			cis	-145.7	-175.2	11.8	-124.5	158.1	0	0	0	111.9
143	H	30	Very low	32.3	Very low	179 Å²	179	145.3 Å²	145.3	83%	0.829	79%	0.789	S	S	*	*			trans	-98	166.3	-167.2	-99.2	-108.1	0	0	0	116.7
144	P	45.2	Very low	32.3	Very low	107 Å²	107	143.6 Å²	143.6	70%	0.695	78%	0.783	S	S	*	*			trans	-95.9	-179.9	178.3	43.2	-38.7	0	0	0	113
145	P	39.2	Very low	32.3	Very low	119 Å²	119	146.3 Å²	146.3	77%	0.773	79%	0.786	S	S	*	*				-162.5	169.8	86.6	43.8	-22.6	0	0	0	120.1
146	R	30	Very low	32.5	Very low	231 Å²	231	139.2 Å²	139.2	87%	0.872	77%	0.773	S	S	*	*			trans	34.7	117.1	141.8	-71.5	-174.9	175.7	178.1	-1.8	124.5
147	S	28.7	Very low	32.1	Very low	91 Å²	91	144 Å²	144	64%	0.636	78%	0.783	S	S	*	*				38.7	130.7	126.9	65.2	0	0	0	0	123.6
148	Y	30.8	Very low	32.2	Very low	232 Å²	232	143.6 Å²	143.6	91%	0.91	78%	0.783	S	S	*	*				-166.8	-167.5	116.1	-100	-63.1	0	0	0	110.8
149	E	27.6	Very low	32	Very low	167 Å²	167	144.2 Å²	144.2	78%	0.78	78%	0.782	S	S	*	*			trans	-130.4	171.6	-146.2	-155.6	176.4	-131.7	0	0	115.3
150	I	32.6	Very low	32.1	Very low	134 Å²	134	146 Å²	146	69%	0.687	78%	0.776	S	S	*	*			trans	85.6	113.4	162.5	-58	169.6	0	0	0	119.2
151	N	30.5	Very low	32.1	Very low	153 Å²	153	150.1 Å²	150.1	82%	0.818	78%	0.783	S	S	*	*			trans	44.4	144.8	142.2	-65.8	-18.5	0	0	0	122.6
152	S	31.7	Very low	31.8	Very low	95 Å²	95	146.6 Å²	146.6	66%	0.664	78%	0.779	S	S	*	*			cis	-164.8	-176.1	2.9	45.5	0	0	0	0	112.7
153	H	32.2	Very low	31.6	Very low	170 Å²	170	145.3 Å²	145.3	79%	0.787	78%	0.777	S	S	*	*			trans	89.9	83.4	162.9	-74.1	-70.9	0	0	0	122.2
154	S	31.1	Very low	31.5	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	78%	0.78	S	S	*	*				66.5	102.1	118.3	62.3	0	0	0	0	122.6
155	Q	33.3	Very low	30.6	Very low	195 Å²	195	143.3 Å²	143.3	91%	0.911	79%	0.786	S	S	*	*			trans	-174.8	142.9	130.5	-99.5	171.6	57.5	0	0	107.9
156	S	32.3	Very low	30.1	Very low	88 Å²	88	143.8 Å²	143.8	62%	0.615	79%	0.792	S	S	*	*			cis	-160.7	154.6	-20.2	52.4	0	0	0	0	110.4
157	F	32.4	Very low	29.9	Very low	199 Å²	199	138 Å²	138	87%	0.873	79%	0.787	S	S	*	*			trans	70.3	149.7	176.4	-61.3	-79.3	0	0	0	119
158	P	33.1	Very low	30.1	Very low	118 Å²	118	140.2 Å²	140.2	77%	0.766	80%	0.797	S	S	*	*			trans	-131.1	167.5	-147.6	40	-22	0	0	0	117.5
159	T	27.1	Very low	29.9	Very low	134 Å²	134	137.4 Å²	137.4	82%	0.822	79%	0.792	S	S	*	*			trans	-99.5	144.8	172.1	50	0	0	0	0	113.2
160	T	30.7	Very low	30.1	Very low	127 Å²	127	136.9 Å²	136.9	78%	0.779	79%	0.794	S	S	*	*			trans	-167.8	152.7	157.2	19.9	0	0	0	0	107.2
161	N	30.3	Very low	29.9	Very low	147 Å²	147	137 Å²	137	79%	0.786	80%	0.796	S	S	*	*			cis	-144.7	156.4	25.2	-96.3	-46.2	0	0	0	112.9
162	T	27	Very low	29.8	Very low	132 Å²	132	134.1 Å²	134.1	81%	0.81	79%	0.788	S	S	*	*			trans	-137.2	129	151.7	31.7	0	0	0	0	110.4
163	V	28.7	Very low	29.7	Very low	135 Å²	135	137.4 Å²	137.4	82%	0.818	80%	0.797	S	S	*	*			trans	42.4	110.4	153.9	-169.7	0	0	0	0	119.6
164	S	27	Very low	29.5	Very low	126 Å²	126	139 Å²	139	88%	0.881	80%	0.798	S	S	*	*				170.9	178.5	118.4	49.1	0	0	0	0	112.7
165	S	27	Very low	29.2	Very low	117 Å²	117	139.5 Å²	139.5	82%	0.818	80%	0.801	S	S	*	*			trans	-127.4	150.6	-156.1	56.6	0	0	0	0	115.6
166	S	27.6	Very low	29.7	Very low	129 Å²	129	135.5 Å²	135.5	90%	0.902	79%	0.792	S	S	*	*			trans	-158	166.4	153.5	60.1	0	0	0	0	112.3
167	S	26.2	Very low	29.6	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	81%	0.806	S	S	*	*			trans	-143.3	149.6	-159.8	59.4	0	0	0	0	116.4
168	T	32.4	Very low	29.4	Very low	136 Å²	136	140.1 Å²	140.1	83%	0.834	80%	0.803	S	S	*	*			trans	-147	127.5	157.6	38.8	0	0	0	0	108
169	Q	27.8	Very low	29.3	Very low	173 Å²	173	138.8 Å²	138.8	81%	0.808	80%	0.802	S	S	*	*			cis	86.6	120.6	46.3	-81.6	-152.3	-2	0	0	116
170	L	30.8	Very low	29.4	Very low	156 Å²	156	140 Å²	140	82%	0.817	80%	0.803	S	S	*	*			trans	179.3	106.9	144.9	-94.5	164.6	0	0	0	106.7
171	N	29.7	Very low	29.4	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	81%	0.805	S	S	*	*				66.4	139.5	96.1	-75.4	-6.8	0	0	0	116.2
172	S	27.9	Very low	29.3	Very low	93 Å²	93	142.1 Å²	142.1	65%	0.65	81%	0.809	S	S	*	*			cis	-178	172.4	-11.3	48.7	0	0	0	0	111.3
173	L	29	Very low	29.8	Very low	163 Å²	163	141.7 Å²	141.7	85%	0.853	81%	0.808	S	S	*	*			trans	117.1	167.8	158.1	-62.2	171	0	0	0	119
174	Y	27.7	Very low	29.7	Very low	205 Å²	205	141.8 Å²	141.8	80%	0.804	80%	0.804	S	S	*	*			trans	-129.9	144.1	-145.8	-91.5	-106.8	0	0	0	115.9
175	S	24.7	Very low	29.9	Very low	108 Å²	108	146 Å²	146	76%	0.755	81%	0.807	S	S	*	*			trans	72.6	161.3	139	-65.7	0	0	0	0	121.8
176	P	44.8	Very low	30	Very low	111 Å²	111	147.1 Å²	147.1	72%	0.721	80%	0.804	S	S	*	*			trans	-126.4	174.4	-147.7	44.1	-32.1	0	0	0	117.3
177	F	29.5	Very low	30.2	Very low	211 Å²	211	145.8 Å²	145.8	93%	0.925	79%	0.794	S	S	*	*			trans	-158	175.8	153.7	-108.1	-66.3	0	0	0	114.8
178	H	29	Very low	30.2	Very low	174 Å²	174	145.4 Å²	145.4	81%	0.806	79%	0.792	S	S	*	*			trans	-79.1	152.6	-166.5	-92.3	-109.8	0	0	0	117.1
179	A	30.1	Very low	30.1	Very low	89 Å²	89	145.5 Å²	145.5	74%	0.736	79%	0.787	S	S	*	*				152.2	126.9	107.7	0	0	0	0	0	116.9
180	N	28.4	Very low	30.2	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	78%	0.783	S	S	*	*			trans	21.2	128.2	147.8	-56.8	-6.9	0	0	0	122.9
181	A	31	Very low	30.2	Very low	99 Å²	99	148 Å²	148	82%	0.818	79%	0.787	S	S	*	*				-168.6	142	110.7	0	0	0	0	0	113.1
182	Y	29.6	Very low	30.2	Very low	219 Å²	219	148.9 Å²	148.9	86%	0.859	79%	0.791	S	S	*	*			trans	-95.4	163.1	156.7	-80	-89	0	0	0	109.1
183	P	36	Very low	30.6	Very low	123 Å²	123	149.7 Å²	149.7	80%	0.799	79%	0.794	S	S	*	*				-135	162.5	113	38	-30	0	0	0	114.6
184	N	28.2	Very low	30.7	Very low	138 Å²	138	147.3 Å²	147.3	74%	0.738	79%	0.791	S	S	*	*			trans	-73.7	162.2	176.3	-52.9	-60.8	0	0	0	112.4
185	F	29.5	Very low	30.9	Very low	215 Å²	215	143.9 Å²	143.9	94%	0.943	79%	0.791	S	S	*	*				-131.9	155.9	128	-114.4	-84.8	0	0	0	110.1
186	N	29.5	Very low	31.2	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	80%	0.795	S	S	*	*			trans	-145.9	177.1	-165.5	-162.9	4	0	0	0	110.8
187	S	31.4	Very low	30.7	Very low	100 Å²	100	148 Å²	148	70%	0.699	79%	0.792	S	S	*	*			trans	63.1	99.8	169	52.5	0	0	0	0	118.3
188	S	26.8	Very low	31.3	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	79%	0.785	S	S	*	*			trans	-18.7	140	138.9	53.1	0	0	0	0	118.5
189	N	31	Very low	31.3	Very low	138 Å²	138	143.8 Å²	143.8	74%	0.738	79%	0.79	S	S	*	*				-164.9	144.2	120.5	-111.2	-28.5	0	0	0	114.5
190	Q	30.2	Very low	31.3	Very low	152 Å²	152	148 Å²	148	71%	0.71	79%	0.794	S	S	*	*			trans	38	118.2	148.6	-62.4	170.6	-8.9	0	0	120.9
191	Y	31	Very low	31.4	Very low	230 Å²	230	145 Å²	145	90%	0.902	79%	0.786	S	S	*	*				-166.4	171.6	103.8	-109.3	-77.6	0	0	0	111.5
192	N	29.4	Very low	32	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	78%	0.78	S	S	*	*			trans	-87.5	161.8	-161.6	-99.5	-15.6	0	0	0	116.5
193	P	36	Very low	32.5	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	78%	0.776	S	S	*	*			trans	-101.2	-168.2	-178.7	41.6	-37.7	0	0	0	115.1
194	S	29.9	Very low	32.4	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	78%	0.775	S	S	*	*			trans	83	147.6	-174.7	78.2	0	0	0	0	114.2
195	V	32.1	Very low	32.6	Very low	132 Å²	132	143.5 Å²	143.5	80%	0.8	78%	0.776	S	S	*	*			cis	-133.5	164	31.2	176.1	0	0	0	0	113.8
196	Y	32.8	Very low	32.9	Very low	214 Å²	214	139.2 Å²	139.2	84%	0.839	76%	0.763	S	S	*	*			trans	-59.4	133.4	176.4	-87.4	-120.6	0	0	0	114.3
197	S	32.5	Very low	33.1	Very low	93 Å²	93	138.6 Å²	138.6	65%	0.65	76%	0.76	S	S	*	*				97.3	-168.5	83.7	-48.2	0	0	0	0	113.7
198	P	43.9	Very low	33.2	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	76%	0.763	S	S	*	*				-116.2	163.5	-116.7	36.4	-19.1	0	0	0	115.2
199	L	27.3	Very low	33.4	Very low	176 Å²	176	142 Å²	142	92%	0.921	76%	0.76	S	S	*	*			trans	-146.4	147.4	171.5	-98.2	115.6	0	0	0	115
200	H	30.9	Very low	33.5	Very low	177 Å²	177	144.8 Å²	144.8	82%	0.819	76%	0.762	S	S	*	*			trans	-114.9	115.9	174.2	-129.8	-67.1	0	0	0	108.5
201	S	31.1	Very low	33.8	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	76%	0.763	S	S	*	*			trans	58.9	160.8	159.4	54.7	0	0	0	0	120
202	P	42.2	Very low	34	Very low	106 Å²	106	137.2 Å²	137.2	69%	0.688	75%	0.754	S	S	*	*			cis	-131.4	136.4	-43.5	34.8	-19.4	0	0	0	114
203	T	40.3	Very low	34.2	Very low	126 Å²	126	139.2 Å²	139.2	77%	0.773	76%	0.759	S	S	*	*			trans	57.5	115.3	155.1	47.8	0	0	0	0	121.8
204	I	34.1	Very low	33.9	Very low	152 Å²	152	137.9 Å²	137.9	78%	0.779	76%	0.764	S	S	*	*			trans	91	106.7	144.1	-62.9	172.8	0	0	0	119.8
205	E	32.9	Very low	34	Very low	163 Å²	163	136.2 Å²	136.2	76%	0.762	77%	0.765	S	S	*	*			trans	72	121.2	140.4	-74.4	-171.8	-177.2	0	0	126.9
206	N	35	Very low	34.1	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	76%	0.761	S	S	*	*				94.2	109.8	127.1	-72.8	-31.1	0	0	0	125.2
207	N	33.5	Very low	34.1	Very low	128 Å²	128	132.4 Å²	132.4	68%	0.684	76%	0.763	S	S	*	*			trans	87.2	110	133.4	-84.9	-24.9	0	0	0	125.8
208	Q	34.7	Very low	34.1	Very low	163 Å²	163	132.9 Å²	132.9	76%	0.762	77%	0.766	S	S	*	*				92.3	131.5	120.2	-82.1	-176	35.8	0	0	126.1
209	V	31.2	Very low	33.4	Very low	111 Å²	111	133.7 Å²	133.7	67%	0.673	77%	0.769	S	S	*	*			trans	101.3	103.4	135.1	164.8	0	0	0	0	123.4
210	Y	33.4	Very low	33.3	Very low	198 Å²	198	130.3 Å²	130.3	78%	0.776	76%	0.758	S	S	*	*			trans	63.3	118.6	138.2	-77.9	-99	0	0	0	127.4
211	T	35	Very low	33.2	Very low	121 Å²	121	128.5 Å²	128.5	74%	0.742	76%	0.755	S	S	*	*			trans	46.4	150.1	130.7	57	0	0	0	0	124
212	S	35.3	Very low	33.1	Very low	101 Å²	101	134 Å²	134	71%	0.706	76%	0.762	S	S	*	*			cis	-174.2	-176.8	-6.1	56.8	0	0	0	0	113.2
213	Q	34.1	Very low	32.4	Very low	198 Å²	198	133.6 Å²	133.6	93%	0.925	76%	0.758	S	S	*	*			trans	87.6	138.2	175.3	-52.9	-172.2	11.7	0	0	117.8
214	G	30.3	Very low	31.7	Very low	80 Å²	80	130 Å²	130	83%	0.825	75%	0.746	S	S	*	*			cis	174.3	145.2	-13.4	0	0	0	0	0	116.8
215	G	31.5	Very low	31.4	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	73%	0.734	S	S	*	*			trans	86	153.8	163.4	0	0	0	0	0	119.4
216	S	34.7	Very low	31.1	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	73%	0.733	S	S	*	*			cis	-175	135.2	-18.2	54.9	0	0	0	0	114.3
217	N	32	Very low	30.8	Very low	164 Å²	164	129.3 Å²	129.3	88%	0.877	74%	0.742	S	S	*	*			trans	66.2	156.6	152.4	-60.7	-8	0	0	0	119.5
218	S	31.8	Very low	30.4	Very low	103 Å²	103	128.1 Å²	128.1	72%	0.72	74%	0.744	S	S	*	*			cis	-160.1	150.4	0.9	52.4	0	0	0	0	115.5
219	V	30.7	Very low	30.4	Very low	138 Å²	138	126 Å²	126	84%	0.836	75%	0.747	S	S	*	*			trans	71.7	160.4	140.3	171.7	0	0	0	0	120.6
220	C	25.6	Very low	30.2	Very low	104 Å²	104	127.8 Å²	127.8	70%	0.703	75%	0.753	S	S	*	*			trans	-126.7	-176.7	-168.5	-57.1	0	0	0	0	112.9
221	D	27.9	Very low	30.1	Very low	139 Å²	139	125.2 Å²	125.2	74%	0.743	75%	0.752	S	S	*	*			trans	122.9	123.5	138.7	-69.5	-26.4	0	0	0	121.9
222	Y	28.2	Very low	29.8	Very low	213 Å²	213	127.5 Å²	127.5	84%	0.835	75%	0.754	S	S	*	*			trans	71.1	169.7	139.4	-85.3	-92.4	0	0	0	124.8
223	T	28.2	Very low	29.3	Very low	98 Å²	98	127.5 Å²	127.5	60%	0.601	75%	0.753	S	S	*	*			trans	-108.1	165.2	-150.3	50.3	0	0	0	0	114.9
224	G	24.9	Very low	28.9	Very low	50 Å²	50	128.5 Å²	128.5	52%	0.515	75%	0.748	S	S	.	*			trans	135.2	142.8	130.6	0	0	0	0	0	119.3
225	Y	28.3	Very low	28.8	Very low	133 Å²	133	130.8 Å²	130.8	52%	0.522	75%	0.751	S	S	.	*			trans	80.8	155.2	160.2	-63.6	-81	0	0	0	122	E318 A319	Y225-E318 HydrophobicContact CE1-CB 4.11Å; Y225-E318 VanDerWaalsContact OH-CB 3.29Å; Y225-E318 WeakPolarHBondContact OH-CB 3.39Å; Y225-E318 PolarHBondContact OH-O 3.11Å; Y225-A319 WeakPolarHBondContact OH-CA 3.38Å; Y225-A319 PolarHBondContact OH-N 2.86Å
226	S	27.9	Very low	28.7	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	75%	0.748	S	S	*	*			trans	-149.4	152.7	-174.2	61.4	0	0	0	0	110.6
227	Q	27	Very low	28.6	Very low	187 Å²	187	133.5 Å²	133.5	87%	0.874	75%	0.752	S	S	*	*			trans	-167.8	143.7	149.1	-114.5	172	46.6	0	0	114.6
228	S	26.1	Very low	28.6	Very low	103 Å²	103	131.3 Å²	131.3	72%	0.72	75%	0.747	S	S	*	*			trans	52.3	98.5	149.7	63.1	0	0	0	0	122.5
229	S	33.8	Very low	28.6	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	76%	0.756	S	S	*	*				-179.1	138.5	117.1	40.3	0	0	0	0	108.2
230	N	27	Very low	28.6	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	76%	0.757	S	S	*	*			cis	61.4	80.8	47.7	-89.5	5.7	0	0	0	115
231	L	31.7	Very low	28.9	Very low	143 Å²	143	137.8 Å²	137.8	75%	0.749	76%	0.761	S	S	*	*				-172.2	162.6	111	-120	66.6	0	0	0	112.2
232	E	28.4	Very low	29	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	76%	0.761	S	S	*	*			trans	27.1	156.6	142.4	-70.2	175.9	-177	0	0	123.2
233	C	25.6	Very low	29.1	Very low	101 Å²	101	132.4 Å²	132.4	68%	0.682	76%	0.764	S	S	*	*			cis	-172.4	163.3	-27.2	-157.3	0	0	0	0	107.8
234	R	26	Very low	29.3	Very low	220 Å²	220	136.5 Å²	136.5	83%	0.83	78%	0.776	S	S	*	*			trans	42.8	107.1	154.3	-79.6	167.2	167	-179.2	-6.6	119.3
235	S	27.7	Very low	30	Very low	127 Å²	127	139 Å²	139	89%	0.888	78%	0.783	S	S	*	*			trans	-53.8	138.3	136.2	42.8	0	0	0	0	110.1
236	S	28.7	Very low	30	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	80%	0.8	S	S	*	*			trans	-131.6	131.6	179.7	52	0	0	0	0	110.9
237	V	32.3	Very low	30.1	Very low	132 Å²	132	139 Å²	139	80%	0.8	80%	0.797	S	S	*	*			trans	-124.4	115.8	165.3	-177.2	0	0	0	0	105.7
238	P	33.9	Very low	30	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	79%	0.794	S	S	*	*			trans	-82.2	142.9	-178.1	32.3	-33.5	0	0	0	111.2
239	F	30.5	Very low	30	Very low	206 Å²	206	143.1 Å²	143.1	90%	0.904	80%	0.802	S	S	*	*			trans	-124.4	146.8	157.4	-105.5	-85.4	0	0	0	109.2
240	N	31.4	Very low	29.6	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	80%	0.802	S	S	*	*			trans	-87.4	159.1	-164.9	-151.4	11	0	0	0	113
241	S	32.1	Very low	29.8	Very low	115 Å²	115	144 Å²	144	80%	0.804	80%	0.802	S	S	*	*			trans	-78.2	157.3	-168.8	52.4	0	0	0	0	115.7
242	G	30.1	Very low	29.7	Very low	71 Å²	71	144.9 Å²	144.9	73%	0.732	80%	0.804	S	S	*	*			trans	-170.4	60.7	179.4	0	0	0	0	0	115.7
243	D	30.6	Very low	29.5	Very low	167 Å²	167	144.9 Å²	144.9	89%	0.893	80%	0.804	S	S	*	*			trans	66.1	171.5	156.4	-58.4	-32.3	0	0	0	122.3
244	H	30.5	Very low	29.5	Very low	184 Å²	184	144.1 Å²	144.1	85%	0.852	81%	0.806	S	S	*	*			trans	-153	179.1	-154.8	-106	-31.6	0	0	0	108.7
245	P	40	Very low	29.5	Very low	102 Å²	102	139.6 Å²	139.6	66%	0.662	80%	0.802	S	S	*	*			cis	-136.8	157.8	-32.7	37.4	-21.7	0	0	0	113.9
246	T	29	Very low	29.6	Very low	146 Å²	146	139.1 Å²	139.1	90%	0.896	80%	0.796	S	S	*	*			trans	168.1	151.8	148.1	23.7	0	0	0	0	107.7
247	S	29.5	Very low	29.7	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	80%	0.796	S	S	*	*			cis	-150.2	161.1	-6	47.9	0	0	0	0	109.7
248	E	25.2	Very low	29.6	Very low	173 Å²	173	141.5 Å²	141.5	81%	0.808	80%	0.795	S	S	*	*			trans	38.8	114.1	153.1	-63.5	178.7	165.7	0	0	120.4
249	F	26.9	Very low	29.4	Very low	203 Å²	203	147.3 Å²	147.3	89%	0.89	80%	0.803	S	S	*	*				-157	91.5	128.5	-109	-63.6	0	0	0	111.6
250	T	25.7	Very low	29.4	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	79%	0.792	S	S	*	*			trans	-78.4	135.7	155	26.5	0	0	0	0	108.9
251	N	30.4	Very low	29.2	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	79%	0.789	S	S	*	*			trans	-151.3	136.9	149.6	-134.7	-30.9	0	0	0	111.8
252	M	28.9	Very low	29	Very low	162 Å²	162	142.5 Å²	142.5	80%	0.798	78%	0.783	S	S	*	*			trans	-109.6	174.4	179.3	-87.4	-147.5	75.4	0	0	111.4
253	Q	25.4	Very low	29.1	Very low	168 Å²	168	147.3 Å²	147.3	79%	0.785	79%	0.786	S	S	*	*			trans	-66.6	144.8	-178.5	-62.1	167.2	-42	0	0	113.1
254	A	25	Very low	29	Very low	86 Å²	86	147.6 Å²	147.6	71%	0.711	78%	0.782	S	S	*	*			trans	69.7	120.6	132.5	0	0	0	0	0	121.4
255	V	26.2	Very low	29	Very low	124 Å²	124	147 Å²	147	75%	0.752	78%	0.78	S	S	*	*			trans	67.8	103.5	137.6	-177.3	0	0	0	0	117.3
256	P	30.3	Very low	28.4	Very low	117 Å²	117	147.1 Å²	147.1	76%	0.76	78%	0.783	S	S	*	*			trans	-77.5	141.5	161.2	33	-32.4	0	0	0	111.2
257	Q	29	Very low	28.4	Very low	162 Å²	162	145.8 Å²	145.8	76%	0.757	78%	0.779	S	S	*	*			trans	-115	127.9	147.2	-72.9	-149.4	-98.1	0	0	108
258	V	31.3	Very low	28.3	Very low	128 Å²	128	149.7 Å²	149.7	78%	0.776	79%	0.792	S	S	*	*			trans	-100.3	123.3	171.6	178.3	0	0	0	0	108.3
259	Y	29.5	Very low	28.6	Very low	240 Å²	240	149.1 Å²	149.1	94%	0.941	79%	0.794	S	S	*	*			trans	-120.2	131.5	150	-115.5	-90.9	0	0	0	105.3
260	G	29.5	Very low	29	Very low	64 Å²	64	144.7 Å²	144.7	66%	0.66	79%	0.788	S	S	*	*			trans	-159.8	98.7	-172.1	0	0	0	0	0	112.8
261	E	28.7	Very low	29.3	Very low	172 Å²	172	146 Å²	146	80%	0.804	79%	0.785	S	S	*	*			trans	-179.1	136.8	160.7	-111.1	-164.9	-135.2	0	0	105.9
262	Q	28.3	Very low	29.4	Very low	143 Å²	143	147 Å²	147	67%	0.668	78%	0.783	S	S	*	*			cis	-126.9	174.7	-5.2	-66.4	164.2	9.2	0	0	106.6
263	Q	31	Very low	29.5	Very low	173 Å²	173	146.5 Å²	146.5	81%	0.808	78%	0.783	S	S	*	*			cis	-167.2	161	42	-147	156.1	67.5	0	0	109.8
264	Q	29.1	Very low	29.9	Very low	173 Å²	173	147.5 Å²	147.5	81%	0.808	79%	0.785	S	S	*	*			trans	-88.5	158.2	-177.9	-76.2	-177.9	-13.9	0	0	113.6
265	H	29.5	Very low	30.7	Very low	172 Å²	172	149.2 Å²	149.2	80%	0.796	79%	0.789	S	S	*	*			trans	21.6	146	142.1	-67.5	-93.5	0	0	0	120.8
266	S	27.7	Very low	31.1	Very low	104 Å²	104	148 Å²	148	73%	0.727	79%	0.786	S	S	*	*			cis	-177.3	163.6	-7.4	51.2	0	0	0	0	109.3
267	S	29.9	Very low	31.7	Very low	118 Å²	118	147.7 Å²	147.7	83%	0.825	78%	0.784	S	S	*	*			trans	-160.6	109.7	152.2	62.3	0	0	0	0	112.6
268	L	27.4	Very low	32	Very low	177 Å²	177	147.8 Å²	147.8	93%	0.927	79%	0.788	S	S	*	*			trans	-135.6	118.3	158.4	-129.9	171.2	0	0	0	105.4
269	N	30.9	Very low	32.1	Very low	160 Å²	160	149.2 Å²	149.2	86%	0.856	79%	0.79	S	S	*	*			trans	-129.8	139.3	-175.5	-145	8.7	0	0	0	109
270	S	34.7	Very low	33.2	Very low	110 Å²	110	143 Å²	143	77%	0.769	78%	0.779	S	S	*	*			trans	-88.4	137.5	-163.6	51.6	0	0	0	0	114.2
271	Q	31.9	Very low	33.8	Very low	161 Å²	161	146.1 Å²	146.1	75%	0.752	79%	0.788	S	S	*	*			trans	-6.2	141.1	154.3	-61	169.9	-17.5	0	0	116.6
272	F	32.6	Very low	34.2	Very low	174 Å²	174	145.3 Å²	145.3	76%	0.763	79%	0.789	S	S	*	*				-155.9	175.9	67.9	-113.9	-93.3	0	0	0	116.6
273	D	32.2	Very low	34.8	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	79%	0.789	S	S	*	*			trans	80.8	160	164.2	-66.6	-29.7	0	0	0	121.9
274	K	32.9	Very low	34.7	Very low	190 Å²	190	145.9 Å²	145.9	83%	0.826	79%	0.791	S	S	*	*			trans	-143.8	169.5	-156.3	-104.7	-178.8	-179.3	176	0	108.5
275	P	42.5	Very low	34.9	Very low	121 Å²	121	144.1 Å²	144.1	79%	0.786	79%	0.792	S	S	*	*			cis	-138.8	176.3	30.4	39.3	-19.1	0	0	0	117.9
276	S	34.5	Very low	35	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	80%	0.795	S	S	*	*			trans	-74.8	176.7	171.9	-21.4	0	0	0	0	112.2
277	P	41.8	Very low	35.4	Very low	111 Å²	111	145.1 Å²	145.1	72%	0.721	80%	0.799	S	S	*	*			cis	-148.6	166.4	46.8	41.9	-22	0	0	0	119.1
278	I	35.2	Very low	36.1	Very low	163 Å²	163	145.6 Å²	145.6	84%	0.836	80%	0.8	S	S	*	*				176.3	154.2	127.8	-90.7	158.8	0	0	0	109.3
279	L	34.4	Very low	36.3	Very low	158 Å²	158	140.4 Å²	140.4	83%	0.827	79%	0.789	S	S	*	*			trans	-116.9	162.1	-173.5	-93.1	93.7	0	0	0	114.2
280	P	53.3	Low	36.5	Very low	110 Å²	110	141.6 Å²	141.6	71%	0.714	79%	0.79	S	S	*	*			trans	-87.2	-175	171.3	39.1	-37.7	0	0	0	112.6
281	P	42.4	Very low	36.4	Very low	129 Å²	129	144 Å²	144	84%	0.838	79%	0.794	S	S	*	*				-149.9	168.2	122.6	38.8	-22.7	0	0	0	117.5
282	N	36.6	Very low	36.4	Very low	155 Å²	155	140.4 Å²	140.4	83%	0.829	79%	0.792	S	S	*	*			trans	-105.4	173.8	160.6	-127.2	-24.1	0	0	0	107.4
283	P	40.5	Very low	36.4	Very low	101 Å²	101	140 Å²	140	66%	0.656	80%	0.797	S	S	*	*			cis	-157.4	-166.1	33.4	46.5	-23.8	0	0	0	118.7
284	R	28.2	Very low	36.7	Very low	227 Å²	227	137.9 Å²	137.9	86%	0.857	79%	0.791	S	S	*	*			trans	69.2	114	148.5	-75.8	-176.4	-179.7	-169.1	0.7	123.7
285	T	33.4	Very low	36.6	Very low	137 Å²	137	138.8 Å²	138.8	84%	0.84	80%	0.796	S	S	*	*			trans	-153.9	133.9	131.8	42.6	0	0	0	0	107
286	L	31.6	Very low	35.9	Very low	162 Å²	162	138.7 Å²	138.7	85%	0.848	79%	0.793	S	S	*	*			cis	83.3	133.3	42.4	-72.9	176.5	0	0	0	116.1
287	T	36.8	Very low	35.7	Very low	134 Å²	134	140.8 Å²	140.8	82%	0.822	80%	0.802	S	S	*	*			trans	-137.3	-150.4	-175.2	65	0	0	0	0	108.3
288	P	43.8	Very low	34.9	Very low	128 Å²	128	139.2 Å²	139.2	83%	0.831	80%	0.798	S	S	*	*			cis	-131.3	-163.4	20	44.8	-26.1	0	0	0	114.5
289	G	32.2	Very low	34.8	Very low	69 Å²	69	141.4 Å²	141.4	71%	0.711	80%	0.797	S	S	*	*			trans	-171.7	83.7	170.4	0	0	0	0	0	116.5
290	Q	35.4	Very low	34.5	Very low	185 Å²	185	141 Å²	141	86%	0.864	80%	0.796	S	S	*	*			trans	38.4	133.5	151.7	-68.7	168.8	-10.9	0	0	120.3
291	N	31.8	Very low	33.2	Very low	159 Å²	159	144.3 Å²	144.3	85%	0.85	80%	0.804	S	S	*	*			cis	-141.2	172.9	36.4	-95.7	-38	0	0	0	114.6
292	A	33.1	Very low	32.5	Very low	87 Å²	87	144.6 Å²	144.6	72%	0.719	80%	0.799	S	S	*	*			trans	-107.9	-178.6	178.8	0	0	0	0	0	111.3
293	L	31.8	Very low	32.3	Very low	166 Å²	166	143.1 Å²	143.1	87%	0.869	80%	0.798	S	S	*	*			cis	-145.9	169.1	28.3	-83.9	167.6	0	0	0	112.7
294	P	37.6	Very low	31.7	Very low	105 Å²	105	142.6 Å²	142.6	68%	0.682	80%	0.796	S	S	*	*			trans	-105.4	176.3	-173.4	41.3	-35.9	0	0	0	115.2
295	F	31.8	Very low	31.9	Very low	209 Å²	209	138.9 Å²	138.9	92%	0.917	80%	0.799	S	S	*	*			trans	-137.7	160.6	157.5	-113.2	-82.4	0	0	0	111.6
296	T	26.7	Very low	31.6	Very low	119 Å²	119	141.8 Å²	141.8	73%	0.73	80%	0.799	S	S	*	*			trans	-114.9	139.8	-169.8	53.3	0	0	0	0	113.5
297	T	31.8	Very low	31.4	Very low	143 Å²	143	139.7 Å²	139.7	88%	0.877	80%	0.799	S	S	*	*			trans	-159.8	162.1	141.7	15	0	0	0	0	110.2
298	A	25.2	Very low	31.1	Very low	78 Å²	78	139 Å²	139	65%	0.645	80%	0.796	S	S	*	*			trans	-103.9	-154	-179.7	0	0	0	0	0	111.5
299	Y	31.7	Very low	30.3	Very low	208 Å²	208	138.3 Å²	138.3	82%	0.816	80%	0.795	S	S	*	*			trans	76.1	149.2	-176.9	-43.6	-63.3	0	0	0	115.9
300	D	28.1	Very low	30.1	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	80%	0.803	S	S	*	*			cis	-167.3	171.6	-48.1	-119	-52.9	0	0	0	107.7
301	M	26.9	Very low	29.7	Very low	181 Å²	181	142.5 Å²	142.5	89%	0.892	79%	0.794	S	S	*	*			trans	-93	129.1	174.6	-72.2	-80.5	-179.7	0	0	111.9
302	D	28	Very low	29.8	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	79%	0.79	S	S	*	*			trans	-150.9	120.7	152.3	-171.9	15.4	0	0	0	112.1
303	P	31.2	Very low	29.7	Very low	124 Å²	124	142.1 Å²	142.1	81%	0.805	79%	0.793	S	S	*	*			trans	-105.2	80.2	175.1	37.9	-30.3	0	0	0	112.8
304	S	28.4	Very low	29.4	Very low	90 Å²	90	144.6 Å²	144.6	63%	0.629	79%	0.791	S	S	*	*			trans	-146.1	122.4	165.3	75.1	0	0	0	0	115.7
305	V	33	Very low	29.3	Very low	149 Å²	149	145.7 Å²	145.7	90%	0.903	80%	0.795	S	S	*	*			trans	-138.2	114	158.9	179.2	0	0	0	0	108.1
306	K	27.2	Very low	29.2	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-94.9	135.9	167.6	-71.2	177.8	179.7	173	0	109	P308	K306-P308 WeakPolarHBondContact O-CD 3.44Å
307	S	27.7	Very low	29.6	Very low	119 Å²	119	143.4 Å²	143.4	83%	0.832	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.8	175.7	53.5	0	0	0	0	112.4
308	P	29.9	Very low	29.6	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-103.7	132.6	160.4	34.7	-25.6	0	0	0	111.2	K306	K306-P308 WeakPolarHBondContact O-CD 3.44Å
309	S	25.9	Very low	29.8	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-75	139.2	159.7	54.5	0	0	0	0	110.2
310	L	28.3	Very low	29.9	Very low	170 Å²	170	140.4 Å²	140.4	89%	0.89	78%	0.778	S	S	*	*			trans	-164.5	146.3	152.7	-109	161.8	0	0	0	111.4
311	Y	28.6	Very low	30	Very low	172 Å²	172	137.5 Å²	137.5	68%	0.675	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-83.3	156.3	173	-78.2	-107.7	0	0	0	110.3
312	P	32.8	Very low	30.5	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-68.3	139.2	-179	27.8	-35.2	0	0	0	112.5
313	P	30.6	Very low	31.1	Very low	119 Å²	119	133.7 Å²	133.7	77%	0.773	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-83.8	164	179.4	34	-35.7	0	0	0	113.4
314	R	25.8	Very low	31.3	Very low	217 Å²	217	135.6 Å²	135.6	82%	0.819	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.8	147.8	167.2	-77.7	179.3	169.2	166.5	-2.7	111
315	V	34.8	Very low	31.4	Very low	129 Å²	129	136.3 Å²	136.3	78%	0.782	78%	0.776	S	S	*	*			trans	-104.2	125	164	-179.2	0	0	0	0	108.4
316	T	31.1	Very low	31.6	Very low	127 Å²	127	136.3 Å²	136.3	78%	0.779	78%	0.777	S	S	*	*			trans	-106.3	120.2	169.8	47.6	0	0	0	0	109
317	N	33.9	Very low	31.9	Very low	152 Å²	152	130.5 Å²	130.5	81%	0.813	77%	0.773	S	S	*	*			trans	-89.8	127.3	170.9	-78.5	-16.2	0	0	0	110.2
318	E	32.2	Very low	31.9	Very low	131 Å²	131	129.5 Å²	129.5	61%	0.612	77%	0.765	S	S	*	*			trans	-115.8	161.7	146.4	-67.7	-168.3	136.6	0	0	107.8	Y225	Y225-E318 HydrophobicContact CE1-CB 4.11Å; Y225-E318 VanDerWaalsContact OH-CB 3.29Å; Y225-E318 WeakPolarHBondContact OH-CB 3.39Å; Y225-E318 PolarHBondContact OH-O 3.11Å
319	A	30.6	Very low	32	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	77%	0.773	S	S	*	*			trans	-139.8	143.8	178.8	0	0	0	0	0	111.5	Y225	Y225-A319 WeakPolarHBondContact OH-CA 3.38Å; Y225-A319 PolarHBondContact OH-N 2.86Å
320	H	34	Very low	32.4	Very low	146 Å²	146	133.3 Å²	133.3	68%	0.676	77%	0.773	S	S	*	*			trans	-135.4	138.2	170.3	-86.7	10.1	0	0	0	111
321	A	29.8	Very low	32.6	Very low	87 Å²	87	134.6 Å²	134.6	72%	0.719	78%	0.776	S	S	*	*			trans	-90.5	-161.9	160.6	0	0	0	0	0	108.1
322	V	36.5	Very low	32.7	Very low	133 Å²	133	130.8 Å²	130.8	81%	0.806	78%	0.781	S	S	*	*			cis	-148.7	-156.1	36	-144.2	0	0	0	0	110.1
323	P	41.3	Very low	33.5	Very low	104 Å²	104	130.8 Å²	130.8	68%	0.675	78%	0.781	S	S	*	*				-122.9	-173.5	-129.7	45.1	-28	0	0	0	115.6
324	N	35.3	Very low	34.4	Very low	163 Å²	163	130.8 Å²	130.8	87%	0.872	78%	0.78	S	S	*	*			trans	-161.1	163.7	130.1	-113	-34.2	0	0	0	113.4
325	S	30.9	Very low	35	Very low	105 Å²	105	128 Å²	128	73%	0.734	78%	0.781	S	S	*	*			trans	-149.2	132.6	-173.2	58.9	0	0	0	0	113.2
326	V	35.8	Very low	35.9	Very low	150 Å²	150	127.1 Å²	127.1	91%	0.909	78%	0.778	S	S	*	*			trans	-149.7	133.3	170.6	-172.8	0	0	0	0	112.3
327	G	33.3	Very low	36.8	Very low	75 Å²	75	126.3 Å²	126.3	77%	0.773	78%	0.775	S	S	*	*			trans	88.5	114.9	133.8	0	0	0	0	0	120.8
328	S	28.8	Very low	37.4	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	77%	0.765	S	S	*	*			trans	-71.6	165.3	165.8	-52.8	0	0	0	0	114.1
329	Y	32.3	Very low	37.9	Very low	237 Å²	237	123.4 Å²	123.4	93%	0.929	77%	0.773	S	S	*	*				152.5	139.9	117.2	-75.6	-59.4	0	0	0	112.6
330	G	33.4	Very low	38	Very low	77 Å²	77	125.2 Å²	125.2	79%	0.794	77%	0.768	S	S	*	*			trans	155.3	141.1	170.4	0	0	0	0	0	114.6
331	M	33	Very low	38	Very low	196 Å²	196	125.6 Å²	125.6	97%	0.966	77%	0.772	S	S	*	*			trans	-122.9	161.3	177.1	-76.2	-76.1	-173.5	0	0	111.2
332	A	31.3	Very low	38.1	Very low	93 Å²	93	126.4 Å²	126.4	77%	0.769	77%	0.768	S	S	*	*			trans	-77.9	-173.2	175.4	0	0	0	0	0	111.8
333	P	48.1	Very low	38.1	Very low	119 Å²	119	126.6 Å²	126.6	77%	0.773	77%	0.765	S	S	*	*			cis	-126.3	-147.4	12.6	36.9	-11.7	0	0	0	111
334	P	50.2	Low	37.7	Very low	118 Å²	118	129.7 Å²	129.7	77%	0.766	78%	0.776	S	S	*	*			cis	-138.8	-122.5	1.7	43	-19.1	0	0	0	116.7
335	L	37.3	Very low	37.5	Very low	160 Å²	160	125.8 Å²	125.8	84%	0.838	77%	0.766	S	S	*	*			trans	-154.7	-160.1	-159	-77.6	168.1	0	0	0	107.1
336	P	53.7	Low	37.6	Very low	110 Å²	110	126.5 Å²	126.5	71%	0.714	77%	0.766	S	S	*	*			cis	-125.9	-157	-2.2	46.5	-28.6	0	0	0	111.8
337	P	51.8	Low	37.5	Very low	110 Å²	110	129.2 Å²	129.2	71%	0.714	76%	0.761	S	S	*	*			cis	-117.6	-170.3	-8.9	44.7	-29.7	0	0	0	112.9
338	V	45	Very low	37.6	Very low	100 Å²	100	133.8 Å²	133.8	61%	0.606	76%	0.762	S	S	*	*			cis	71.6	143.2	19.4	-87.7	0	0	0	0	117	M340	V338-M340 HydrophobicContact CB-CG 3.92Å; V338-M340 HydrophobicContact CG1-CE 4.2Å; V338-M340 HydrophobicContact CG1-CG 3.64Å; V338-M340 HydrophobicContact CG1-SD 4.46Å
339	P	42.9	Very low	37.9	Very low	121 Å²	121	135.1 Å²	135.1	79%	0.786	76%	0.762	S	S	*	*				-117.7	161	55.3	42	-32.3	0	0	0	115
340	M	33.1	Very low	38.1	Very low	129 Å²	129	131.8 Å²	131.8	64%	0.635	76%	0.755	S	S	*	*			cis	76.2	147.9	31.2	-57.5	-79.7	99.5	0	0	112.8	V338	V338-M340 HydrophobicContact CB-CG 3.92Å; V338-M340 HydrophobicContact CG1-CE 4.2Å; V338-M340 HydrophobicContact CG1-CG 3.64Å; V338-M340 HydrophobicContact CG1-SD 4.46Å
341	M	33.6	Very low	38.6	Very low	153 Å²	153	133.8 Å²	133.8	75%	0.754	75%	0.754	S	S	*	*			cis	-171.1	160.5	3.6	-117.1	169.2	169.1	0	0	107.3
342	T	33.4	Very low	38.8	Very low	104 Å²	104	132.5 Å²	132.5	64%	0.638	75%	0.745	S	S	*	*			cis	-167.3	162.8	-14.8	4.9	0	0	0	0	110.8
343	N	34.9	Very low	39.4	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	75%	0.748	S	S	*	*			trans	37.4	130.9	148.7	-60.1	-0.9	0	0	0	123.2
344	N	33.3	Very low	39.1	Very low	169 Å²	169	133.9 Å²	133.9	90%	0.904	75%	0.746	S	S	*	*				-165.9	173.3	92	-114.1	-22.5	0	0	0	113.9
345	A	31.9	Very low	38.6	Very low	80 Å²	80	136.3 Å²	136.3	66%	0.661	75%	0.752	S	S	*	*			trans	-101.2	159.9	-161.1	0	0	0	0	0	116.6
346	T	33	Very low	38.8	Very low	121 Å²	121	134.8 Å²	134.8	74%	0.742	75%	0.751	S	S	*	*				178.2	138.2	114.5	27.6	0	0	0	0	117
347	Y	32.3	Very low	38.1	Very low	206 Å²	206	141 Å²	141	81%	0.808	76%	0.761	S	S	*	*			trans	62.4	138.9	146	-69.3	-57.1	0	0	0	127.1
348	Q	36.9	Very low	37.4	Very low	171 Å²	171	142 Å²	142	80%	0.799	77%	0.767	S	S	*	*			trans	74	140.2	151.4	-76	-178.3	19.9	0	0	119.9
349	N	34.3	Very low	37.1	Very low	126 Å²	126	140.6 Å²	140.6	67%	0.674	77%	0.773	S	S	*	*			cis	-162.3	177.8	-13.1	-144	-16.1	0	0	0	113.3
350	H	37.7	Very low	36.6	Very low	167 Å²	167	142.6 Å²	142.6	77%	0.773	78%	0.777	S	S	*	*			trans	85.5	152.6	164.4	-73.3	-49.7	0	0	0	121.1
351	P	42.7	Very low	36.7	Very low	118 Å²	118	142.5 Å²	142.5	77%	0.766	78%	0.784	S	S	*	*			trans	-129.6	-180	-133.6	44.7	-30.6	0	0	0	118.8
352	Q	37.2	Very low	36.8	Very low	170 Å²	170	142.8 Å²	142.8	79%	0.794	79%	0.788	S	S	*	*			trans	-85.6	170.7	-176.8	-55.8	179.1	-59.7	0	0	115.5
353	P	45.1	Very low	37	Very low	127 Å²	127	142.7 Å²	142.7	83%	0.825	79%	0.789	S	S	*	*				-117.8	167.2	119	-5.9	26.3	0	0	0	114.7
354	P	41.6	Very low	36.7	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	79%	0.792	S	S	*	*			trans	-118.6	170.5	-150.7	42.3	-34	0	0	0	118.4
355	L	38.8	Very low	36.8	Very low	170 Å²	170	139.9 Å²	139.9	89%	0.89	79%	0.788	S	S	*	*			trans	-101.1	146.9	167.9	-75.6	162.7	0	0	0	112.3
356	P	41.4	Very low	36.8	Very low	127 Å²	127	143.5 Å²	143.5	83%	0.825	80%	0.795	S	S	*	*			trans	-88.3	166.4	159.9	-8.1	27.4	0	0	0	113.5
357	R	38.8	Very low	37	Very low	241 Å²	241	143 Å²	143	91%	0.909	79%	0.793	S	S	*	*			trans	-105.1	159.8	-173	-75.2	178.8	172.6	178.1	-3.1	114.2
358	P	36.6	Very low	36.8	Very low	130 Å²	130	143.3 Å²	143.3	84%	0.844	79%	0.793	S	S	*	*			trans	-88.2	164.8	175.7	36.7	-36.8	0	0	0	114.3
359	G	38.8	Very low	36.4	Very low	72 Å²	72	142.2 Å²	142.2	74%	0.742	79%	0.788	S	S	*	*			trans	-165.1	139.9	167.7	0	0	0	0	0	111.7
360	N	33.6	Very low	36.1	Very low	162 Å²	162	143.2 Å²	143.2	87%	0.866	80%	0.798	S	S	*	*			trans	-136.4	136.3	-170.9	-95	-6.5	0	0	0	112.4
361	T	35.9	Very low	35.7	Very low	127 Å²	127	140 Å²	140	78%	0.779	80%	0.801	S	S	*	*			trans	170.3	110	147.2	34.4	0	0	0	0	107.8
362	L	34.1	Very low	35	Very low	159 Å²	159	145 Å²	145	83%	0.832	81%	0.806	S	S	*	*				71	143.9	77.3	-69.7	166.6	0	0	0	114.7
363	P	38.7	Very low	34.7	Very low	103 Å²	103	145.8 Å²	145.8	67%	0.669	81%	0.81	S	S	*	*			cis	-142.1	176.8	-33.5	39.8	-22.8	0	0	0	115.7
364	S	28.8	Very low	33.9	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	81%	0.812	S	S	*	*			trans	68.7	152.8	173.3	71	0	0	0	0	117.2
365	T	34.5	Very low	33.4	Very low	133 Å²	133	149 Å²	149	82%	0.816	82%	0.817	S	S	*	*			cis	-139.4	-177.6	19.6	-28.2	0	0	0	0	112.5
366	I	32.8	Very low	33	Very low	155 Å²	155	143.3 Å²	143.3	80%	0.795	80%	0.8	S	S	*	*			trans	-147.2	161.2	-161	-81.4	171.2	0	0	0	108.7
367	P	35.7	Very low	32.5	Very low	110 Å²	110	143.8 Å²	143.8	71%	0.714	80%	0.8	S	S	*	*			cis	-130.1	176.3	2.2	36.5	-18.5	0	0	0	116.6
368	R	29.5	Very low	32.1	Very low	213 Å²	213	142.1 Å²	142.1	80%	0.804	80%	0.8	S	S	*	*				173.5	125.7	116	-96.9	-167.2	146.1	151.6	-2.8	117.2
369	H	28	Very low	32.4	Very low	149 Å²	149	141.8 Å²	141.8	69%	0.69	78%	0.782	S	S	*	*			trans	56.3	146.9	146.4	-65.1	-70.5	0	0	0	125.2
370	T	27.4	Very low	32.4	Very low	146 Å²	146	143.4 Å²	143.4	90%	0.896	78%	0.777	S	S	*	*			trans	65.6	144.8	171.2	59.1	0	0	0	0	116.8
371	A	30.9	Very low	32.5	Very low	100 Å²	100	138.3 Å²	138.3	83%	0.826	75%	0.753	S	S	*	*			cis	-124.4	177.2	4.9	0	0	0	0	0	113.1
372	Y	27.1	Very low	32.7	Very low	224 Å²	224	135.7 Å²	135.7	88%	0.878	75%	0.751	S	S	*	*			trans	-112.9	113.3	-178.3	-142.5	-95.2	0	0	0	107.9
373	E	30.6	Very low	33.3	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	74%	0.739	S	S	*	*			trans	-134.1	135.8	170.2	-78.6	-160.2	133.8	0	0	111.7	S375	E373-S375 PolarHBondContact O-N 3.39Å
374	Q	29.4	Very low	33.8	Very low	187 Å²	187	131.9 Å²	131.9	87%	0.874	74%	0.742	S	S	*	*			trans	-85.3	98.8	-176.7	-69	175.9	-36.2	0	0	110.5	G376	Q374-G376 PolarHBondContact O-N 3.49Å
375	S	29.6	Very low	34.9	Very low	121 Å²	121	128 Å²	128	85%	0.846	72%	0.717	S	S	*	*			trans	-74.8	58.1	164.1	-68.7	0	0	0	0	111.6	E373 V377	E373-S375 PolarHBondContact O-N 3.39Å; S375-V377 PolarHBondContact O-N 2.62Å
376	G	30.1	Very low	35.7	Very low	51 Å²	51	123.9 Å²	123.9	53%	0.526	69%	0.693	S	S	.	*			trans	-70.9	114.2	167.5	0	0	0	0	0	109.2	Q374 F378	Q374-G376 PolarHBondContact O-N 3.49Å; G376-F378 VanDerWaalsContact C-N 3.31Å; G376-F378 PolarHBondContact O-N 2.78Å
377	V	31.6	Very low	36.6	Very low	137 Å²	137	123.8 Å²	123.8	83%	0.83	69%	0.693	S	S	*	*			trans	-72.9	85.2	-175.7	-176.1	0	0	0	0	110.2	S375 R379	S375-V377 PolarHBondContact O-N 2.62Å; V377-R379 PolarHBondContact O-N 3.4Å
378	F	30.4	Very low	37.1	Very low	205 Å²	205	122.2 Å²	122.2	90%	0.899	69%	0.685	S	S	*	*			trans	-65.4	95.3	169.4	-89.9	-87.4	0	0	0	110	G376 T380	G376-F378 VanDerWaalsContact C-N 3.31Å; G376-F378 PolarHBondContact O-N 2.78Å; F378-T380 PolarHBondContact O-N 3.07Å
379	R	42.6	Very low	37.7	Very low	124 Å²	124	114.7 Å²	114.7	47%	0.468	66%	0.66	S	S	.	*			trans	-54.9	132.3	168.5	-92	-178.5	156.9	-99.8	-14.5	110.4	V377 P381 D389	V377-R379 PolarHBondContact O-N 3.4Å; R379-P381 WeakPolarHBondContact O-CD 3.32Å; R379-D389 IonicContact CZ-OD1 3.43Å; R379-D389 IonicContact NE-OD1 2.79Å; R379-D389 IonicContact NH2-OD1 3.2Å; R379-D389 PolarHBondContact NH2-OD1 3.36Å; R379-D389 IonicContact NH2-OD2 2.73Å; R379-D389 PolarHBondContact NH2-OD2 2.79Å; R379-D389 VanDerWaalsContact NH2-OD2 3.15Å
380	T	38.4	Very low	38.6	Very low	105 Å²	105	115.1 Å²	115.1	64%	0.644	66%	0.656	S	S	*	*			trans	-66.4	116	161.7	-42.2	0	0	0	0	108.5	F378 G382	F378-T380 PolarHBondContact O-N 3.07Å; T380-G382 PolarHBondContact O-N 3.13Å; T380-G382 VanDerWaalsContact O-N 3.17Å
381	P	36.6	Very low	39.5	Very low	55 Å²	55	111.2 Å²	111.2	36%	0.357	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	114.7	-173.9	-20.8	36	0	0	0	110.7	R379 A1038 Q1039	R379-P381 WeakPolarHBondContact O-CD 3.32Å; P381-A1038 HydrophobicContact CB-CB 3.5Å; P381-Q1039 HydrophobicContact CG-CG 4.35Å
382	G	40.4	Very low	40.4	Very low	72 Å²	72	110.1 Å²	110.1	74%	0.742	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.4	-20.1	178.5	0	0	0	0	0	114.6	T380	T380-G382 PolarHBondContact O-N 3.13Å; T380-G382 VanDerWaalsContact O-N 3.17Å
383	T	46.2	Very low	41.6	Very low	93 Å²	93	104.9 Å²	104.9	57%	0.571	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-73.3	129	179.7	-40.9	0	0	0	0	111.5	A385	T383-A385 PolarHBondContact O-N 3.07Å
384	A	49.9	Very low	43	Very low	90 Å²	90	102 Å²	102	74%	0.744	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-55.2	133.4	171.6	0	0	0	0	0	110.3	S386	A384-S386 PolarHBondContact O-N 3.23Å
385	A	50.6	Low	45	Very low	32 Å²	32	96.6 Å²	96.6	26%	0.264	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-64	128	179.8	0	0	0	0	0	110.5	T383 D389 W390	T383-A385 PolarHBondContact O-N 3.07Å; A385-D389 HydrophobicContact CB-CB 3.85Å; A385-W390 PolarHBondContact O-NE1 3.21Å
386	S	51.5	Low	47.4	Very low	47 Å²	47	93.8 Å²	93.8	33%	0.329	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-65.1	162.9	175.4	68.4	0	0	0	0	110.6	A384 S388 D389 W390	A384-S386 PolarHBondContact O-N 3.23Å; S386-S388 PolarHBondContact O-N 3.12Å; S386-S388 PolarHBondContact OG-OG 2.77Å; S386-D389 VanDerWaalsContact CB-OD2 3.29Å; S386-D389 WeakPolarHBondContact CB-OD2 3.38Å; S386-D389 PolarHBondContact N-OD2 3.33Å; S386-D389 WeakPolarHBondContact O-CB 3.27Å; S386-D389 PolarHBondContact O-N 2.96Å; S386-D389 VanDerWaalsContact OG-CG 3.31Å; S386-D389 PolarHBondContact OG-N 3.04Å; S386-D389 VanDerWaalsContact OG-N 3.11Å; S386-D389 PolarHBondContact OG-OD2 3.47Å; S386-W390 PolarHBondContact O-N 2.83Å
387	I	51.6	Low	50.2	Low	154 Å²	154	93 Å²	93	79%	0.79	53%	0.534	S	S	*	.	H	α-helix	trans	-55.9	-36.8	173.1	-78.6	173.3	0	0	0	111.1	W390 S391	I387-W390 PolarHBondContact O-N 2.87Å; I387-S391 PolarHBondContact O-N 3.38Å; I387-S391 PolarHBondContact O-OG 3.21Å
388	S	45.9	Very low	52.9	Low	77 Å²	77	88 Å²	88	54%	0.538	50%	0.503	S	S	.	.	H	α-helix	trans	-58.6	-45.7	171.3	20.3	0	0	0	0	113.2	S386 S391 S392	S386-S388 PolarHBondContact O-N 3.12Å; S386-S388 PolarHBondContact OG-OG 2.77Å; S388-S391 WeakPolarHBondContact CA-OG 3.35Å; S388-S391 PolarHBondContact O-N 3Å; S388-S391 PolarHBondContact O-OG 3.06Å; S388-S392 PolarHBondContact O-N 3.37Å; S388-S392 PolarHBondContact O-OG 3.1Å; S388-S392 VanDerWaalsContact O-OG 3.11Å
389	D	43.5	Very low	55.8	Low	54 Å²	54	78.3 Å²	78.3	29%	0.289	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-40.5	175.4	-66.1	-82.7	0	0	0	112.4	R379 A385 S386 S391 S392 L393	R379-D389 IonicContact CZ-OD1 3.43Å; R379-D389 IonicContact NE-OD1 2.79Å; R379-D389 IonicContact NH2-OD1 3.2Å; R379-D389 PolarHBondContact NH2-OD1 3.36Å; R379-D389 IonicContact NH2-OD2 2.73Å; R379-D389 PolarHBondContact NH2-OD2 2.79Å; R379-D389 VanDerWaalsContact NH2-OD2 3.15Å; A385-D389 HydrophobicContact CB-CB 3.85Å; S386-D389 VanDerWaalsContact CB-OD2 3.29Å; S386-D389 WeakPolarHBondContact CB-OD2 3.38Å; S386-D389 PolarHBondContact N-OD2 3.33Å; S386-D389 WeakPolarHBondContact O-CB 3.27Å; S386-D389 PolarHBondContact O-N 2.96Å; S386-D389 VanDerWaalsContact OG-CG 3.31Å; S386-D389 PolarHBondContact OG-N 3.04Å; S386-D389 VanDerWaalsContact OG-N 3.11Å; S386-D389 PolarHBondContact OG-OD2 3.47Å; D389-S391 VanDerWaalsContact C-N 3.29Å; D389-S391 PolarHBondContact O-N 2.96Å; D389-S392 WeakPolarHBondContact O-CA 3.37Å; D389-S392 WeakPolarHBondContact O-CB 3.26Å; D389-S392 PolarHBondContact O-N 3.39Å; D389-L393 PolarHBondContact O-N 2.67Å
390	W	45.9	Very low	58	Low	158 Å²	158	73.5 Å²	73.5	60%	0.598	44%	0.444	S	S	*	.	H	α-helix	trans	-64.8	-32.9	176.8	-81.6	106.6	0	0	0	112.3	A385 S386 I387 L393	A385-W390 PolarHBondContact O-NE1 3.21Å; S386-W390 PolarHBondContact O-N 2.83Å; I387-W390 PolarHBondContact O-N 2.87Å; W390-L393 HydrophobicContact CE3-CD1 4Å; W390-L393 HydrophobicContact CZ3-CD1 4.24Å
391	S	46.4	Very low	60.3	Low	65 Å²	65	74.2 Å²	74.2	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-68.9	-36.9	167.5	41.2	0	0	0	0	112.8	I387 S388 D389 L393 K394 T395	I387-S391 PolarHBondContact O-N 3.38Å; I387-S391 PolarHBondContact O-OG 3.21Å; S388-S391 WeakPolarHBondContact CA-OG 3.35Å; S388-S391 PolarHBondContact O-N 3Å; S388-S391 PolarHBondContact O-OG 3.06Å; D389-S391 VanDerWaalsContact C-N 3.29Å; D389-S391 PolarHBondContact O-N 2.96Å; S391-L393 PolarHBondContact O-N 3.47Å; S391-K394 CarbonylContact O-C 3.45Å; S391-K394 WeakPolarHBondContact O-CA 3.18Å; S391-K394 PolarHBondContact O-N 3.27Å; S391-T395 PolarHBondContact O-N 3.27Å
392	S	49.4	Very low	62.6	Low	76 Å²	76	75.6 Å²	75.6	53%	0.531	44%	0.442	S	S	.	.	H	α-helix	trans	-64.1	-25.3	174.9	-55.1	0	0	0	0	113.6	S388 D389 K394 T395	S388-S392 PolarHBondContact O-N 3.37Å; S388-S392 PolarHBondContact O-OG 3.1Å; S388-S392 VanDerWaalsContact O-OG 3.11Å; D389-S392 WeakPolarHBondContact O-CA 3.37Å; D389-S392 WeakPolarHBondContact O-CB 3.26Å; D389-S392 PolarHBondContact O-N 3.39Å; S392-K394 PolarHBondContact O-N 3.38Å; S392-T395 WeakPolarHBondContact CA-OG1 3.27Å; S392-T395 PolarHBondContact O-OG1 2.97Å
393	L	52	Low	64.7	Low	114 Å²	114	81.1 Å²	81.1	60%	0.597	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.4	169.6	-69.1	173.4	0	0	0	113.5	D389 W390 S391	D389-L393 PolarHBondContact O-N 2.67Å; W390-L393 HydrophobicContact CE3-CD1 4Å; W390-L393 HydrophobicContact CZ3-CD1 4.24Å; S391-L393 PolarHBondContact O-N 3.47Å
394	K	60.5	Low	66.4	Low	126 Å²	126	81.2 Å²	81.2	55%	0.548	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-5.9	176.7	-65.7	-165.8	176.9	-158.4	0	114	S391 S392	S391-K394 CarbonylContact O-C 3.45Å; S391-K394 WeakPolarHBondContact O-CA 3.18Å; S391-K394 PolarHBondContact O-N 3.27Å; S392-K394 PolarHBondContact O-N 3.38Å
395	T	71.6	Confident	68.2	Low	72 Å²	72	77.1 Å²	77.1	44%	0.442	41%	0.409	S	S	.	.	S	Bend	trans	-67.2	147	178.1	42	0	0	0	0	111.8	S391 S392 I397	S391-T395 PolarHBondContact O-N 3.27Å; S392-T395 WeakPolarHBondContact CA-OG1 3.27Å; S392-T395 PolarHBondContact O-OG1 2.97Å; T395-I397 PolarHBondContact O-N 2.61Å
396	P	81.4	Confident	69.8	Low	63 Å²	63	76.6 Å²	76.6	41%	0.409	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-55.7	132.2	171.4	-21.4	30.5	0	0	0	111.7	Y947 I953 P965	P396-Y947 HydrophobicContact CB-CE1 4.14Å; P396-Y947 HydrophobicContact CG-CE1 4.44Å; P396-Y947 WeakPolarHBondContact CG-OH 3.49Å; P396-I953 HydrophobicContact CB-CD1 4.09Å; P396-I953 HydrophobicContact CG-CD1 3.64Å; P396-P965 HydrophobicContact CB-CB 4.35Å
397	I	87.4	Confident	71.1	Confident	34 Å²	34	76.1 Å²	76.1	17%	0.174	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.8	171.2	-60.8	178.7	0	0	0	108.4	T395 L399 E402 L405 P965 C966 P968 R971	T395-I397 PolarHBondContact O-N 2.61Å; I397-L399 HydrophobicContact CG2-CD2 4.36Å; I397-E402 HydrophobicContact CG2-CB 3.92Å; I397-E402 HydrophobicContact CG2-CG 4.14Å; I397-L405 HydrophobicContact CG2-CD2 4.34Å; I397-P965 CarbonylContact O-C 3.57Å; I397-P965 WeakPolarHBondContact O-CA 3.45Å; I397-C966 PolarHBondContact N-O 3.07Å; I397-C966 PolarHBondContact O-N 3.32Å; I397-P968 HydrophobicContact CD1-CB 4.29Å; I397-R971 HydrophobicContact CD1-CB 3.95Å
398	N	89	Confident	71.9	Confident	33 Å²	33	72.9 Å²	72.9	18%	0.176	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	99.6	170	-176.6	4.3	0	0	0	110.4	L400 Q401 E402 G963 L964	N398-L400 PolarHBondContact O-N 2.73Å; N398-L400 VanDerWaalsContact O-N 3.15Å; N398-L400 PolarHBondContact OD1-N 2.89Å; N398-Q401 HydrophobicContact CB-CB 4.41Å; N398-Q401 WeakPolarHBondContact ND2-CG 3.46Å; N398-Q401 PolarHBondContact ND2-NE2 3.05Å; N398-Q401 PolarHBondContact ND2-OE1 3.32Å; N398-Q401 PolarHBondContact O-N 2.74Å; N398-Q401 VanDerWaalsContact O-N 3.09Å; N398-E402 PolarHBondContact O-N 2.89Å; N398-G963 WeakPolarHBondContact OD1-CA 3.13Å; N398-L964 PolarHBondContact OD1-N 2.89Å
399	L	90.5	Very high	72.9	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.1	-174.3	-64.6	174.7	0	0	0	114.2	I397 Q401 L405 L944 L964 C966 P974 L1221	I397-L399 HydrophobicContact CG2-CD2 4.36Å; L399-Q401 VanDerWaalsContact C-N 3.33Å; L399-L405 HydrophobicContact CD2-CD2 4.08Å; L399-L944 HydrophobicContact CD1-CD1 4.04Å; L399-L944 HydrophobicContact CD1-CD2 4.5Å; L399-L964 HydrophobicContact CB-CB 4.46Å; L399-L964 HydrophobicContact CB-CD2 4.38Å; L399-L964 HydrophobicContact CB-CG 4.49Å; L399-L964 HydrophobicContact CD1-CD2 4.15Å; L399-L964 HydrophobicContact CD1-CG 4.29Å; L399-L964 PolarHBondContact N-O 2.84Å; L399-C966 HydrophobicContact CD1-CB 3.61Å; L399-C966 HydrophobicContact CD2-CB 3.91Å; L399-C966 HydrophobicContact CG-CB 3.57Å; L399-P974 HydrophobicContact CD1-CG 3.81Å; L399-L1221 HydrophobicContact CB-CD1 4Å; L399-L1221 HydrophobicContact CB-CD2 4.14Å; L399-L1221 HydrophobicContact CD1-CD2 4.07Å; L399-L1221 VanDerWaalsContact O-CD1 3.25Å; L399-L1221 WeakPolarHBondContact O-CD1 3.35Å
400	L	88.7	Confident	74	Confident	24 Å²	24	73.9 Å²	73.9	13%	0.126	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-13.1	-180	-72.9	169.7	0	0	0	113.6	N398 L964 Q1218 L1221 Q1222 Q1225	N398-L400 PolarHBondContact O-N 2.73Å; N398-L400 VanDerWaalsContact O-N 3.15Å; N398-L400 PolarHBondContact OD1-N 2.89Å; L400-L964 HydrophobicContact CD1-CB 3.87Å; L400-L964 HydrophobicContact CG-CB 3.95Å; L400-Q1218 PolarHBondContact O-NE2 2.85Å; L400-L1221 HydrophobicContact CD2-CB 3.7Å; L400-Q1222 HydrophobicContact CD2-CG 4.11Å; L400-Q1225 HydrophobicContact CD1-CB 4.38Å; L400-Q1225 HydrophobicContact CD1-CG 4.3Å
401	Q	87	Confident	75.3	Confident	119 Å²	119	70 Å²	70	56%	0.556	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-38.7	179.8	-73	173.4	-7.7	0	0	112.1	N398 L399 A961	N398-Q401 HydrophobicContact CB-CB 4.41Å; N398-Q401 WeakPolarHBondContact ND2-CG 3.46Å; N398-Q401 PolarHBondContact ND2-NE2 3.05Å; N398-Q401 PolarHBondContact ND2-OE1 3.32Å; N398-Q401 PolarHBondContact O-N 2.74Å; N398-Q401 VanDerWaalsContact O-N 3.09Å; L399-Q401 VanDerWaalsContact C-N 3.33Å; Q401-A961 PolarHBondContact NE2-O 2.82Å
402	E	85.7	Confident	76.9	Confident	85 Å²	85	69 Å²	69	40%	0.397	38%	0.378	S	S	.	.			trans	-70.6	136.5	178.3	-172.7	51.4	-98.8	0	0	111.4	I397 N398 C404 L405	I397-E402 HydrophobicContact CG2-CB 3.92Å; I397-E402 HydrophobicContact CG2-CG 4.14Å; N398-E402 PolarHBondContact O-N 2.89Å; E402-C404 PolarHBondContact OE1-N 2.67Å; E402-L405 HydrophobicContact CB-CD2 4.12Å; E402-L405 HydrophobicContact CG-CD2 3.69Å; E402-L405 HydrophobicContact CG-CG 4.47Å
403	R	83.3	Confident	78.6	Confident	188 Å²	188	71.2 Å²	71.2	71%	0.709	38%	0.383	S	S	*	.			trans	-121.6	-17.8	-179.8	-63.3	-173.3	-178.1	-172.1	0.7	113.4	H1081	R403-H1081 PolarHBondContact O-CE1 3Å; R403-H1081 PolarHBondContact O-NE2 3.23Å
404	C	83.3	Confident	80.4	Confident	94 Å²	94	67.3 Å²	67.3	64%	0.635	37%	0.365	S	S	*	.			trans	-103.5	65.7	-178.5	-64.9	0	0	0	0	109.7	E402	E402-C404 PolarHBondContact OE1-N 2.67Å
405	L	86.5	Confident	81.8	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	35%	0.349	C	S	.	.			trans	-78.9	-26.2	-176.9	-60	172.2	0	0	0	112.5	I397 L399 E402 R971 L972 H1081 Y1217	I397-L405 HydrophobicContact CG2-CD2 4.34Å; L399-L405 HydrophobicContact CD2-CD2 4.08Å; E402-L405 HydrophobicContact CB-CD2 4.12Å; E402-L405 HydrophobicContact CG-CD2 3.69Å; E402-L405 HydrophobicContact CG-CG 4.47Å; L405-R971 HydrophobicContact CD2-CB 4.36Å; L405-R971 WeakPolarHBondContact O-CD 3.32Å; L405-R971 PolarHBondContact O-NE 2.65Å; L405-L972 HydrophobicContact CB-CD2 3.79Å; L405-H1081 PolarHBondContact N-NE2 3.45Å; L405-Y1217 HydrophobicContact CD1-CE1 3.74Å; L405-Y1217 VanDerWaalsContact CD1-OH 3.29Å; L405-Y1217 WeakPolarHBondContact CD1-OH 3.41Å
406	L	85	Confident	82.7	Confident	21 Å²	21	67.2 Å²	67.2	11%	0.11	36%	0.362	C	S	.	.	S	Bend	trans	-78.4	142.5	173.1	-64.8	178.5	0	0	0	111.5	L972 Y1017 Q1079 H1081	L406-L972 HydrophobicContact CD2-CD1 4.04Å; L406-L972 HydrophobicContact CD2-CD2 3.98Å; L406-Y1017 HydrophobicContact CD1-CE1 4.42Å; L406-Y1017 HydrophobicContact CD2-CE1 4.31Å; L406-Q1079 HydrophobicContact CD1-CG 4.11Å; L406-H1081 PolarHBondContact N-NE2 3.33Å
407	P	77.8	Confident	83.1	Confident	38 Å²	38	65.4 Å²	65.4	25%	0.247	35%	0.35	C	S	.	.			trans	-64.7	138.2	176.8	-18.3	30.5	0	0	0	113	D409 D412	P407-D409 VanDerWaalsContact C-N 3.34Å; P407-D412 HydrophobicContact CG-CB 4.16Å
408	S	69.8	Low	83.1	Confident	85 Å²	85	67.5 Å²	67.5	59%	0.594	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-31.8	170.2	50.3	0	0	0	0	113	C1078	S408-C1078 PolarHBondContact O-SG 2.91Å
409	D	65.9	Low	83	Confident	127 Å²	127	67.8 Å²	67.8	68%	0.679	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	13.2	-161.5	-60.7	4.7	0	0	0	113.3	P407	P407-D409 VanDerWaalsContact C-N 3.34Å
410	G	67.9	Low	82.7	Confident	25 Å²	25	75.2 Å²	75.2	26%	0.258	42%	0.419	S	S	.	.	S	Bend	trans	150.8	-168.2	178	0	0	0	0	0	114
411	P	72	Confident	82.5	Confident	76 Å²	76	76.3 Å²	76.3	49%	0.494	43%	0.427	S	S	.	.	S	Bend	trans	-67.8	150.3	171.1	30.4	-35	0	0	0	111.3	L413	P411-L413 HydrophobicContact CG-CD2 4.27Å; P411-L413 PolarHBondContact O-N 3.04Å
412	D	79.7	Confident	82.5	Confident	44 Å²	44	77 Å²	77	24%	0.235	44%	0.442	C	S	.	.			trans	-61.7	118	167.5	-159.3	69.2	0	0	0	109	P407 Q909 R971 L972	P407-D412 HydrophobicContact CG-CB 4.16Å; D412-Q909 PolarHBondContact OD2-NE2 2.83Å; D412-R971 IonicContact OD1-CZ 2.68Å; D412-R971 IonicContact OD1-NE 3.89Å; D412-R971 IonicContact OD1-NH2 3.91Å; D412-R971 PolarHBondContact OD1-NH2 2.72Å; D412-L972 HydrophobicContact CB-CD1 4.04Å
413	L	85.4	Confident	82.8	Confident	123 Å²	123	75.5 Å²	75.5	64%	0.644	44%	0.436	S	S	*	.			trans	-104.1	134.2	179.9	-68.4	-179.1	0	0	0	109.6	P411	P411-L413 HydrophobicContact CG-CD2 4.27Å; P411-L413 PolarHBondContact O-N 3.04Å
414	P	89.3	Confident	83.3	Confident	32 Å²	32	68.4 Å²	68.4	21%	0.208	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-72.2	151.9	-174.3	28.7	-34.6	0	0	0	112.7	K416 Q427	P414-K416 PolarHBondContact O-N 2.86Å; P414-Q427 HydrophobicContact CG-CB 4.39Å; P414-Q427 PolarHBondContact O-NE2 3.43Å
415	P	91.8	Very high	83.9	Confident	32 Å²	32	64.3 Å²	64.3	21%	0.208	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-58.5	135.3	-177.9	25.4	-35.2	0	0	0	111.2	Q427 T435 D908	P415-Q427 PolarHBondContact O-NE2 2.81Å; P415-T435 HydrophobicContact CG-CG2 4.14Å; P415-D908 HydrophobicContact CG-CB 3.85Å
416	K	89.9	Confident	84.1	Confident	164 Å²	164	67.8 Å²	67.8	71%	0.713	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-88.2	134.5	173	-70.3	-173	172.6	-171.3	0	109.5	P414 A418	P414-K416 PolarHBondContact O-N 2.86Å; K416-A418 PolarHBondContact O-N 2.83Å
417	P	90	Very high	84.5	Confident	25 Å²	25	69 Å²	69	16%	0.162	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-56.6	135.6	173.8	-23.8	33.5	0	0	0	111.6	L419 T435 L894	P417-L419 VanDerWaalsContact C-N 3.27Å; P417-L419 HydrophobicContact CB-CG 4.27Å; P417-L419 PolarHBondContact O-N 2.73Å; P417-T435 HydrophobicContact CG-CG2 4.21Å; P417-L894 HydrophobicContact CB-CD2 4.06Å; P417-L894 HydrophobicContact CG-CD2 3.63Å
418	A	86.7	Confident	85	Confident	78 Å²	78	69.1 Å²	69.1	65%	0.645	41%	0.407	S	S	*	.			trans	-78.1	71.9	-178.1	0	0	0	0	0	111.8	K416 P895	K416-A418 PolarHBondContact O-N 2.83Å; A418-P895 HydrophobicContact CB-CG 4.46Å
419	L	87.8	Confident	86.1	Confident	40 Å²	40	65.1 Å²	65.1	21%	0.209	38%	0.379	C	S	.	.			trans	-98.2	157.4	177.6	-61.6	-178.6	0	0	0	112.4	P417 T421 N424 F485 T869 C893	P417-L419 VanDerWaalsContact C-N 3.27Å; P417-L419 HydrophobicContact CB-CG 4.27Å; P417-L419 PolarHBondContact O-N 2.73Å; L419-T421 VanDerWaalsContact C-N 3.33Å; L419-N424 HydrophobicContact CD1-CB 4.42Å; L419-N424 VanDerWaalsContact CD1-ND2 3.35Å; L419-N424 WeakPolarHBondContact CD1-ND2 3.4Å; L419-F485 HydrophobicContact CD1-CE1 4.28Å; L419-T869 HydrophobicContact CD2-CG2 4Å; L419-C893 HydrophobicContact CD1-CB 3.86Å
420	T	84.2	Confident	87.6	Confident	155 Å²	155	59.2 Å²	59.2	95%	0.951	35%	0.347	S	S	*	.	S	Bend	trans	-76.8	-17	173.3	51.2	0	0	0	0	113.8
421	T	84.4	Confident	88.9	Confident	48 Å²	48	59 Å²	59	29%	0.294	34%	0.339	S	S	.	.	S	Bend	trans	-109.2	141.3	176.9	175.9	0	0	0	0	110.7	L419 I423 F485	L419-T421 VanDerWaalsContact C-N 3.33Å; T421-I423 PolarHBondContact O-N 3.21Å; T421-I423 PolarHBondContact OG1-N 3.23Å; T421-I423 VanDerWaalsContact OG1-N 3.13Å; T421-F485 HydrophobicContact CG2-CE1 4.05Å
422	P	85.5	Confident	90.1	Very high	133 Å²	133	55.5 Å²	55.5	86%	0.864	32%	0.316	S	S	*	.	S	Bend	trans	-72.2	-13.8	170.9	31.5	-36	0	0	0	112.9	N424	P422-N424 PolarHBondContact O-N 2.8Å
423	I	92	Very high	91	Very high	54 Å²	54	53.4 Å²	53.4	28%	0.277	31%	0.305	S	S	.	.			trans	-77.1	111.2	-178.4	-54.9	169.9	0	0	0	109.1	T421 P484 F485 A531	T421-I423 PolarHBondContact O-N 3.21Å; T421-I423 PolarHBondContact OG1-N 3.23Å; T421-I423 VanDerWaalsContact OG1-N 3.13Å; I423-P484 HydrophobicContact CG2-CB 3.77Å; I423-P484 HydrophobicContact CG2-CG 3.72Å; I423-F485 VanDerWaalsContact O-CE1 3.32Å; I423-F485 WeakPolarHBondContact O-CE1 3.39Å; I423-F485 VanDerWaalsContact O-CZ 3.27Å; I423-F485 WeakPolarHBondContact O-CZ 3.36Å; I423-A531 HydrophobicContact CG2-CB 4.23Å
424	N	95	Very high	91.6	Very high	38 Å²	38	47.6 Å²	47.6	20%	0.203	27%	0.274	C	S	.	.			trans	-151.6	170.4	170	-151.7	-7.3	0	0	0	110.9	L419 P422 A531 L892 C893	L419-N424 HydrophobicContact CD1-CB 4.42Å; L419-N424 VanDerWaalsContact CD1-ND2 3.35Å; L419-N424 WeakPolarHBondContact CD1-ND2 3.4Å; P422-N424 PolarHBondContact O-N 2.8Å; N424-A531 WeakPolarHBondContact O-CB 3.36Å; N424-L892 WeakPolarHBondContact OD1-CA 3.39Å; N424-C893 PolarHBondContact ND2-O 3.09Å; N424-C893 PolarHBondContact OD1-N 2.96Å
425	C	94.9	Very high	92	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.054	27%	0.266	C	S	.	.			trans	-60.9	143	174.7	-171.2	0	0	0	0	111.1	Q427 L892	C425-Q427 PolarHBondContact O-N 3.13Å; C425-L892 HydrophobicContact CB-CB 4.19Å; C425-L892 HydrophobicContact CB-CD1 4.33Å
426	D	92.1	Very high	92.3	Very high	78 Å²	78	45.8 Å²	45.8	42%	0.417	26%	0.261	S	S	.	.			trans	-58.4	132.1	171.7	-179.5	3.6	0	0	0	110.2	D428 V429 M430	D426-D428 VanDerWaalsContact C-N 3.25Å; D426-D428 PolarHBondContact O-N 2.96Å; D426-D428 PolarHBondContact OD1-N 2.86Å; D426-V429 HydrophobicContact CB-CB 4.2Å; D426-V429 HydrophobicContact CB-CG2 3.95Å; D426-V429 PolarHBondContact O-N 3.41Å; D426-M430 PolarHBondContact O-N 2.95Å
427	Q	91.5	Very high	92.6	Very high	45 Å²	45	38.1 Å²	38.1	21%	0.21	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23	177.7	-67.1	174.6	-67.6	0	0	112.1	P414 P415 C425 V429 R431	P414-Q427 HydrophobicContact CG-CB 4.39Å; P414-Q427 PolarHBondContact O-NE2 3.43Å; P415-Q427 PolarHBondContact O-NE2 2.81Å; C425-Q427 PolarHBondContact O-N 3.13Å; Q427-V429 PolarHBondContact O-N 3.03Å; Q427-R431 WeakPolarHBondContact O-CD 3.48Å; Q427-R431 WeakPolarHBondContact O-CG 3.39Å; Q427-R431 PolarHBondContact O-NE 3.24Å
428	D	89.4	Confident	93	Very high	42 Å²	42	36.9 Å²	36.9	23%	0.225	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11	170.5	-96.5	-17.7	0	0	0	112.9	D426 R459 T1010	D426-D428 VanDerWaalsContact C-N 3.25Å; D426-D428 PolarHBondContact O-N 2.96Å; D426-D428 PolarHBondContact OD1-N 2.86Å; D428-R459 VanDerWaalsContact CG-NH1 3.33Å; D428-R459 IonicContact OD2-CZ 3.73Å; D428-R459 IonicContact OD2-NH1 3.94Å; D428-R459 PolarHBondContact OD2-NH1 3.42Å; D428-R459 IonicContact OD2-NH2 2.76Å; D428-R459 PolarHBondContact OD2-NH2 3.07Å; D428-T1010 PolarHBondContact OD1-OG1 3.37Å
429	V	93.8	Very high	93.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-46	-174.4	179.1	0	0	0	0	112.9	D426 Q427 M455 H456 M461 H890	D426-V429 HydrophobicContact CB-CB 4.2Å; D426-V429 HydrophobicContact CB-CG2 3.95Å; D426-V429 PolarHBondContact O-N 3.41Å; Q427-V429 PolarHBondContact O-N 3.03Å; V429-M455 CarbonylContact O-C 3.54Å; V429-M455 VanDerWaalsContact O-CA 3.22Å; V429-M455 WeakPolarHBondContact O-CA 3.35Å; V429-M455 WeakPolarHBondContact O-CB 3.16Å; V429-H456 PolarHBondContact O-N 3.09Å; V429-M461 HydrophobicContact CG2-SD 3.99Å; V429-H890 VanDerWaalsContact CG1-CE1 3.48Å; V429-H890 WeakPolarHBondContact CG1-CE1 3.29Å; V429-H890 WeakPolarHBondContact CG1-ND1 3.29Å
430	M	96.2	Very high	94.1	Very high	3 Å²	3	33 Å²	33	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	132	174.5	-172.2	160.7	65.5	0	0	112.1	D426 L453 M455 C872 A874 H890 L892	D426-M430 PolarHBondContact O-N 2.95Å; M430-L453 HydrophobicContact SD-CD1 4.37Å; M430-M455 HydrophobicContact CB-CB 4.24Å; M430-M455 HydrophobicContact CG-CB 4.11Å; M430-M455 HydrophobicContact CG-CE 4.29Å; M430-M455 HydrophobicContact SD-CE 3.76Å; M430-M455 HydrophobicContact SD-SD 4.5Å; M430-C872 VanDerWaalsContact CE-O 3.27Å; M430-C872 WeakPolarHBondContact CE-O 3.32Å; M430-A874 HydrophobicContact CE-CB 4.21Å; M430-A874 HydrophobicContact SD-CB 3.81Å; M430-H890 HydrophobicContact CE-CB 3.99Å; M430-H890 WeakPolarHBondContact CE-O 3.14Å; M430-L892 HydrophobicContact CE-CB 3.72Å; M430-L892 HydrophobicContact CG-CD2 4.41Å
431	R	95	Very high	94.7	Very high	20 Å²	20	27.8 Å²	27.8	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.8	-170.3	-47.7	170.3	106.8	-70	-103.1	109.4	Q427 L453 V454 D908 S911	Q427-R431 WeakPolarHBondContact O-CD 3.48Å; Q427-R431 WeakPolarHBondContact O-CG 3.39Å; Q427-R431 PolarHBondContact O-NE 3.24Å; R431-L453 CarbonylContact O-C 3.53Å; R431-L453 WeakPolarHBondContact O-CA 3.22Å; R431-V454 HydrophobicContact CB-CG2 3.81Å; R431-V454 HydrophobicContact CG-CG2 4.26Å; R431-V454 PolarHBondContact N-O 3.01Å; R431-V454 PolarHBondContact O-N 3.03Å; R431-D908 IonicContact CZ-OD2 3.15Å; R431-D908 VanDerWaalsContact NH1-CG 3.34Å; R431-D908 IonicContact NH1-OD1 3.66Å; R431-D908 PolarHBondContact NH1-OD1 3.41Å; R431-D908 IonicContact NH1-OD2 3.9Å; R431-D908 PolarHBondContact NH1-OD2 2.93Å; R431-D908 IonicContact NH2-OD2 3.83Å; R431-D908 PolarHBondContact NH2-OD2 3.21Å; R431-S911 WeakPolarHBondContact CB-OG 3.19Å; R431-S911 PolarHBondContact NH1-OG 3.36Å
432	C	97.9	Very high	95.3	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.02	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.6	165.7	-167.6	0	0	0	0	109.4	L434 G452 L453 L892 L894	C432-L434 WeakPolarHBondContact CB-O 3.26Å; C432-L434 PolarHBondContact O-N 2.67Å; C432-L434 PolarHBondContact SG-O 3.19Å; C432-G452 CarbonylContact C-O 3.15Å; C432-G452 WeakPolarHBondContact CA-O 3.28Å; C432-G452 PolarHBondContact SG-O 3.08Å; C432-G452 VanDerWaalsContact SG-O 3.39Å; C432-L453 HydrophobicContact CB-CD2 4.08Å; C432-L892 HydrophobicContact CB-CD2 4.2Å; C432-L894 HydrophobicContact CB-CD1 3.6Å; C432-L894 HydrophobicContact CB-CD2 4.33Å
433	T	98.5	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-63.2	-29.7	168.6	53	0	0	0	0	112.9	P450 L451 G452 D908 I912 L915	T433-P450 WeakPolarHBondContact CB-O 3.5Å; T433-P450 PolarHBondContact OG1-O 3.31Å; T433-L451 WeakPolarHBondContact OG1-CA 3.47Å; T433-G452 PolarHBondContact N-O 2.84Å; T433-G452 PolarHBondContact OG1-N 3.24Å; T433-G452 PolarHBondContact OG1-O 3.47Å; T433-D908 PolarHBondContact O-N 2.82Å; T433-I912 HydrophobicContact CG2-CG1 3.99Å; T433-L915 HydrophobicContact CG2-CB 4.15Å; T433-L915 HydrophobicContact CG2-CD2 3.72Å
434	L	98.1	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-125.2	106.4	177.2	-59.2	178.3	0	0	0	108.3	C432 N436 P438 L444 L449 L451 V903 A907	C432-L434 WeakPolarHBondContact CB-O 3.26Å; C432-L434 PolarHBondContact O-N 2.67Å; C432-L434 PolarHBondContact SG-O 3.19Å; L434-N436 VanDerWaalsContact C-N 3.29Å; L434-P438 HydrophobicContact CD1-CG 4.31Å; L434-L444 HydrophobicContact CD1-CD1 3.7Å; L434-L449 HydrophobicContact CD1-CB 4.41Å; L434-L449 HydrophobicContact CD2-CB 3.95Å; L434-L449 HydrophobicContact CD2-CD1 3.61Å; L434-L449 HydrophobicContact CD2-CG 4.44Å; L434-L451 HydrophobicContact CB-CD1 4.05Å; L434-L451 HydrophobicContact CD1-CD1 3.97Å; L434-L451 HydrophobicContact CG-CD1 4.29Å; L434-V903 HydrophobicContact CD1-CG1 3.99Å; L434-V903 HydrophobicContact CD2-CG1 3.95Å; L434-A907 HydrophobicContact CD2-CB 4.21Å
435	T	97.2	Very high	96.3	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.037	15%	0.151	C	C	.	.	S	Bend	trans	-75.2	-23	177.6	63.2	0	0	0	0	112.7	P415 P417 P895 G906	P415-T435 HydrophobicContact CG-CG2 4.14Å; P417-T435 HydrophobicContact CG-CG2 4.21Å; T435-P895 VanDerWaalsContact O-CD 3.31Å; T435-P895 WeakPolarHBondContact O-CD 3.27Å; T435-G906 PolarHBondContact N-O 3.3Å; T435-G906 WeakPolarHBondContact OG1-CA 3.39Å; T435-G906 PolarHBondContact OG1-O 3.38Å
436	N	97.3	Very high	96.4	Very high	21 Å²	21	33.1 Å²	33.1	11%	0.112	17%	0.172	C	C	.	.	S	Bend	trans	-103	107.9	165.3	-65	-19	0	0	0	107.7	L434 P895 V897 E902 G906	L434-N436 VanDerWaalsContact C-N 3.29Å; N436-P895 WeakPolarHBondContact OD1-CG 3.37Å; N436-V897 HydrophobicContact CB-CB 4.39Å; N436-V897 HydrophobicContact CB-CG1 3.74Å; N436-V897 HydrophobicContact CB-CG2 3.75Å; N436-E902 PolarHBondContact ND2-O 3.06Å; N436-G906 PolarHBondContact ND2-N 3.19Å
437	V	98.1	Very high	96.7	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.5	-173.4	179.1	0	0	0	0	109.8	L826 L864 V870 L894 P895 V896 V897	V437-L826 HydrophobicContact CG1-CD2 4.47Å; V437-L864 HydrophobicContact CG1-CD1 3.93Å; V437-V870 HydrophobicContact CB-CG2 4.14Å; V437-V870 HydrophobicContact CG1-CG2 4.32Å; V437-V870 HydrophobicContact CG2-CG2 3.83Å; V437-L894 HydrophobicContact CG2-CB 3.84Å; V437-L894 HydrophobicContact CG2-CD1 3.59Å; V437-L894 HydrophobicContact CG2-CG 4.37Å; V437-P895 PolarHBondContact N-O 2.89Å; V437-V896 CarbonylContact O-C 3.47Å; V437-V896 VanDerWaalsContact O-CA 3.3Å; V437-V896 WeakPolarHBondContact O-CA 3.33Å; V437-V897 PolarHBondContact O-N 3.39Å
438	P	98.2	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.8	177.4	20.1	-28.2	0	0	0	111.6	L434 T440 L443 L444 I860 V903	L434-P438 HydrophobicContact CD1-CG 4.31Å; P438-T440 VanDerWaalsContact C-N 3.25Å; P438-T440 PolarHBondContact O-N 2.93Å; P438-L443 HydrophobicContact CB-CB 4Å; P438-L443 HydrophobicContact CB-CD2 3.7Å; P438-L443 HydrophobicContact CB-CG 3.73Å; P438-L444 HydrophobicContact CB-CB 4.47Å; P438-L444 HydrophobicContact CG-CB 3.82Å; P438-L444 HydrophobicContact CG-CD1 3.89Å; P438-L444 HydrophobicContact CG-CG 4.4Å; P438-I860 HydrophobicContact CB-CD1 4.47Å; P438-I860 HydrophobicContact CG-CD1 3.93Å; P438-I860 WeakPolarHBondContact O-CD1 3.44Å; P438-V903 HydrophobicContact CB-CG2 3.85Å; P438-V903 HydrophobicContact CG-CG2 4.39Å
439	S	97.8	Very high	97.4	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.028	16%	0.159	C	C	.	.	S	Bend	trans	-71.4	-14.5	-175.4	71.7	0	0	0	0	115.1	L864 E865 V897 H898	S439-L864 PolarHBondContact O-N 3.4Å; S439-E865 WeakPolarHBondContact OG-CG 3.32Å; S439-V897 WeakPolarHBondContact CB-O 3.46Å; S439-V897 PolarHBondContact N-O 3.3Å; S439-H898 VanDerWaalsContact CB-ND1 3.27Å; S439-H898 WeakPolarHBondContact CB-ND1 3.42Å; S439-H898 PolarHBondContact OG-ND1 2.93Å
440	T	98.2	Very high	97.5	Very high	31 Å²	31	33.7 Å²	33.7	19%	0.19	17%	0.167	C	C	.	.	S	Bend	trans	-143.5	152.5	-179.9	64.1	0	0	0	0	112	P438 K442 L443 L444 E865	P438-T440 VanDerWaalsContact C-N 3.25Å; P438-T440 PolarHBondContact O-N 2.93Å; T440-K442 PolarHBondContact O-N 3.2Å; T440-L443 PolarHBondContact O-N 3.18Å; T440-L443 VanDerWaalsContact O-N 3.11Å; T440-L443 PolarHBondContact OG1-N 3.47Å; T440-L444 PolarHBondContact O-N 3.39Å; T440-L444 VanDerWaalsContact O-N 3.1Å; T440-E865 HydrophobicContact CG2-CG 4.17Å; T440-E865 WeakPolarHBondContact CG2-OE1 3.39Å
441	S	97.4	Very high	97.7	Very high	46 Å²	46	33.8 Å²	33.8	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-58	-33.2	171.6	-177.8	0	0	0	0	112.5	L443 L444 T445 I860	S441-L443 PolarHBondContact O-N 3.42Å; S441-L444 WeakPolarHBondContact O-CB 3.22Å; S441-L444 PolarHBondContact O-N 3.21Å; S441-T445 WeakPolarHBondContact O-CB 3.27Å; S441-T445 PolarHBondContact O-N 3.09Å; S441-T445 PolarHBondContact O-OG1 3.09Å; S441-I860 WeakPolarHBondContact CB-O 3.35Å
442	K	97.8	Very high	97.8	Very high	167 Å²	167	32.9 Å²	32.9	73%	0.726	16%	0.164	S	C	*	.	H	α-helix	trans	-60.1	-44.6	174	-175.9	179	177.6	-178	0	111.9	T440 T445 Q446	T440-K442 PolarHBondContact O-N 3.2Å; K442-T445 PolarHBondContact O-N 2.86Å; K442-Q446 WeakPolarHBondContact O-CB 3.48Å; K442-Q446 PolarHBondContact O-N 3.46Å
443	L	98	Very high	97.8	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-67.8	-38.3	177.1	-179.9	60.9	0	0	0	111.8	P438 T440 S441 Q446 C447 A900 V903	P438-L443 HydrophobicContact CB-CB 4Å; P438-L443 HydrophobicContact CB-CD2 3.7Å; P438-L443 HydrophobicContact CB-CG 3.73Å; T440-L443 PolarHBondContact O-N 3.18Å; T440-L443 VanDerWaalsContact O-N 3.11Å; T440-L443 PolarHBondContact OG1-N 3.47Å; S441-L443 PolarHBondContact O-N 3.42Å; L443-Q446 PolarHBondContact O-N 2.76Å; L443-C447 PolarHBondContact O-N 3.01Å; L443-C447 VanDerWaalsContact O-N 3.1Å; L443-C447 PolarHBondContact O-SG 2.77Å; L443-A900 HydrophobicContact CD1-CB 4.2Å; L443-V903 HydrophobicContact CD2-CG2 4.22Å; L443-V903 HydrophobicContact CG-CG2 4.38Å
444	L	98	Very high	97.8	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-49.6	173.6	-179.1	60.8	0	0	0	111.4	L434 P438 T440 S441 Q446 C447 R448 L449 L451 I860	L434-L444 HydrophobicContact CD1-CD1 3.7Å; P438-L444 HydrophobicContact CB-CB 4.47Å; P438-L444 HydrophobicContact CG-CB 3.82Å; P438-L444 HydrophobicContact CG-CD1 3.89Å; P438-L444 HydrophobicContact CG-CG 4.4Å; T440-L444 PolarHBondContact O-N 3.39Å; T440-L444 VanDerWaalsContact O-N 3.1Å; S441-L444 WeakPolarHBondContact O-CB 3.22Å; S441-L444 PolarHBondContact O-N 3.21Å; L444-Q446 VanDerWaalsContact C-N 3.3Å; L444-Q446 PolarHBondContact O-N 2.98Å; L444-C447 PolarHBondContact O-N 2.78Å; L444-C447 VanDerWaalsContact O-N 3.14Å; L444-R448 PolarHBondContact O-N 2.97Å; L444-R448 VanDerWaalsContact O-N 3.14Å; L444-L449 VanDerWaalsContact CD1-O 3.29Å; L444-L449 WeakPolarHBondContact CD1-O 3.33Å; L444-L451 HydrophobicContact CD1-CB 3.93Å; L444-L451 HydrophobicContact CD2-CB 3.82Å; L444-L451 HydrophobicContact CD2-CD2 4.2Å; L444-I860 HydrophobicContact CB-CD1 4.19Å; L444-I860 HydrophobicContact CD2-CD1 4.12Å; L444-I860 HydrophobicContact CD2-CG1 4.48Å
445	T	97.4	Very high	97.7	Very high	94 Å²	94	32.8 Å²	32.8	58%	0.577	16%	0.164	S	C	*	.	H	α-helix	trans	-60.1	-40	176.9	-53.7	0	0	0	0	111.6	S441 K442 C447 R448	S441-T445 WeakPolarHBondContact O-CB 3.27Å; S441-T445 PolarHBondContact O-N 3.09Å; S441-T445 PolarHBondContact O-OG1 3.09Å; K442-T445 PolarHBondContact O-N 2.86Å; T445-C447 VanDerWaalsContact C-N 3.31Å; T445-C447 PolarHBondContact O-N 3.09Å; T445-R448 VanDerWaalsContact O-CG 3.31Å; T445-R448 WeakPolarHBondContact O-CG 3.5Å; T445-R448 PolarHBondContact O-N 3.29Å
446	Q	97.2	Very high	97.7	Very high	103 Å²	103	32.9 Å²	32.9	48%	0.481	16%	0.164	S	C	.	.	H	α-helix	trans	-65	-32.2	177.4	-178.4	176	-6.2	0	0	112.9	K442 L443 L444 A946 T950	K442-Q446 WeakPolarHBondContact O-CB 3.48Å; K442-Q446 PolarHBondContact O-N 3.46Å; L443-Q446 PolarHBondContact O-N 2.76Å; L444-Q446 VanDerWaalsContact C-N 3.3Å; L444-Q446 PolarHBondContact O-N 2.98Å; Q446-A946 WeakPolarHBondContact O-CB 3.41Å; Q446-T950 HydrophobicContact CG-CG2 3.91Å
447	C	97.4	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-83	-18.2	177.6	-60	0	0	0	0	113.4	L443 L444 T445 L449 V903 F904 A946	L443-C447 PolarHBondContact O-N 3.01Å; L443-C447 VanDerWaalsContact O-N 3.1Å; L443-C447 PolarHBondContact O-SG 2.77Å; L444-C447 PolarHBondContact O-N 2.78Å; L444-C447 VanDerWaalsContact O-N 3.14Å; T445-C447 VanDerWaalsContact C-N 3.31Å; T445-C447 PolarHBondContact O-N 3.09Å; C447-L449 PolarHBondContact O-N 2.82Å; C447-L449 VanDerWaalsContact O-N 3.09Å; C447-V903 HydrophobicContact CB-CG1 4.17Å; C447-F904 HydrophobicContact CB-CE2 4.27Å; C447-F904 HydrophobicContact CB-CZ 4.11Å; C447-F904 WeakPolarHBondContact O-CZ 3.48Å; C447-A946 WeakPolarHBondContact O-CB 3.15Å
448	R	97.2	Very high	97.5	Very high	143 Å²	143	32 Å²	32	54%	0.54	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	25.9	-175.5	-59.5	-160.6	-179.8	-156.1	8.9	115.6	L444 T445 D942 A946	L444-R448 PolarHBondContact O-N 2.97Å; L444-R448 VanDerWaalsContact O-N 3.14Å; T445-R448 VanDerWaalsContact O-CG 3.31Å; T445-R448 WeakPolarHBondContact O-CG 3.5Å; T445-R448 PolarHBondContact O-N 3.29Å; R448-D942 HydrophobicContact CB-CB 4.06Å; R448-D942 VanDerWaalsContact CD-CG 3.46Å; R448-D942 VanDerWaalsContact CD-OD2 3.27Å; R448-D942 WeakPolarHBondContact CD-OD2 3.43Å; R448-D942 IonicContact CZ-OD1 2.71Å; R448-D942 IonicContact CZ-OD2 3.92Å; R448-D942 IonicContact NE-OD2 3.72Å; R448-D942 IonicContact NH1-OD1 3.51Å; R448-D942 PolarHBondContact NH1-OD1 3.39Å; R448-D942 IonicContact NH1-OD2 3Å; R448-D942 PolarHBondContact NH1-OD2 3.02Å; R448-A946 HydrophobicContact CB-CB 4.15Å; R448-A946 HydrophobicContact CG-CB 4.19Å
449	L	97.9	Very high	97.2	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-95.3	137.9	172.9	-61.8	-178.2	0	0	0	110.2	L434 L444 C447 L451 F904 A907 I912 A943 L970	L434-L449 HydrophobicContact CD1-CB 4.41Å; L434-L449 HydrophobicContact CD2-CB 3.95Å; L434-L449 HydrophobicContact CD2-CD1 3.61Å; L434-L449 HydrophobicContact CD2-CG 4.44Å; L444-L449 VanDerWaalsContact CD1-O 3.29Å; L444-L449 WeakPolarHBondContact CD1-O 3.33Å; C447-L449 PolarHBondContact O-N 2.82Å; C447-L449 VanDerWaalsContact O-N 3.09Å; L449-L451 PolarHBondContact O-N 2.84Å; L449-F904 HydrophobicContact CD1-CD1 3.8Å; L449-F904 HydrophobicContact CD1-CE1 3.79Å; L449-F904 HydrophobicContact CD2-CE1 4.26Å; L449-F904 HydrophobicContact CG-CE1 4.03Å; L449-A907 HydrophobicContact CD1-CB 3.8Å; L449-I912 HydrophobicContact CD2-CD1 4.48Å; L449-A943 HydrophobicContact CD2-CB 3.63Å; L449-L970 HydrophobicContact CD1-CD1 4.48Å; L449-L970 HydrophobicContact CD2-CD1 3.92Å
450	P	97.9	Very high	96.8	Very high	29 Å²	29	36.9 Å²	36.9	19%	0.188	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-73.1	126.1	178.4	30.3	-34.4	0	0	0	110.4	T433 I912 L915 L916	T433-P450 WeakPolarHBondContact CB-O 3.5Å; T433-P450 PolarHBondContact OG1-O 3.31Å; P450-I912 HydrophobicContact CG-CG2 4.07Å; P450-L915 HydrophobicContact CB-CD2 4.07Å; P450-L915 HydrophobicContact CG-CD2 4.46Å; P450-L916 HydrophobicContact CG-CD2 4.23Å; P450-L916 HydrophobicContact CG-CG 4.37Å
451	L	98.5	Very high	96.2	Very high	5 Å²	5	38 Å²	38	3%	0.026	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-83.3	131.3	170.8	-174	68.9	0	0	0	109.8	T433 L434 L444 L449 L826 L858 I860	T433-L451 WeakPolarHBondContact OG1-CA 3.47Å; L434-L451 HydrophobicContact CB-CD1 4.05Å; L434-L451 HydrophobicContact CD1-CD1 3.97Å; L434-L451 HydrophobicContact CG-CD1 4.29Å; L444-L451 HydrophobicContact CD1-CB 3.93Å; L444-L451 HydrophobicContact CD2-CB 3.82Å; L444-L451 HydrophobicContact CD2-CD2 4.2Å; L449-L451 PolarHBondContact O-N 2.84Å; L451-L826 HydrophobicContact CD2-CD2 3.95Å; L451-L858 HydrophobicContact CD2-CB 4.06Å; L451-L858 HydrophobicContact CG-CB 3.97Å; L451-L858 PolarHBondContact O-N 3Å; L451-I860 HydrophobicContact CD2-CD1 4.3Å; L451-I860 HydrophobicContact CD2-CG1 4Å
452	G	98.4	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	169	177.7	0	0	0	0	0	114	C432 T433 V856	C432-G452 CarbonylContact C-O 3.15Å; C432-G452 WeakPolarHBondContact CA-O 3.28Å; C432-G452 PolarHBondContact SG-O 3.08Å; C432-G452 VanDerWaalsContact SG-O 3.39Å; T433-G452 PolarHBondContact N-O 2.84Å; T433-G452 PolarHBondContact OG1-N 3.24Å; T433-G452 PolarHBondContact OG1-O 3.47Å; G452-V856 CarbonylContact C-O 3.52Å; G452-V856 WeakPolarHBondContact CA-O 3.34Å
453	L	98.4	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.7	176.4	-57.4	175.2	0	0	0	110.6	M430 R431 C432 M455 I820 A855 V856 L858 C872 L892	M430-L453 HydrophobicContact SD-CD1 4.37Å; R431-L453 CarbonylContact O-C 3.53Å; R431-L453 WeakPolarHBondContact O-CA 3.22Å; C432-L453 HydrophobicContact CB-CD2 4.08Å; L453-M455 HydrophobicContact CB-CE 3.71Å; L453-M455 HydrophobicContact CD1-CE 3.94Å; L453-M455 HydrophobicContact CG-CE 4.49Å; L453-I820 HydrophobicContact CD1-CG2 4.25Å; L453-A855 CarbonylContact O-C 3.44Å; L453-A855 WeakPolarHBondContact O-CA 3.42Å; L453-V856 PolarHBondContact N-O 3.16Å; L453-V856 PolarHBondContact O-N 3.09Å; L453-L858 HydrophobicContact CD1-CD1 4.28Å; L453-L858 HydrophobicContact CD2-CD1 4.26Å; L453-L858 HydrophobicContact CG-CD1 3.86Å; L453-L858 HydrophobicContact CG-CG 4.47Å; L453-C872 HydrophobicContact CD1-CB 3.93Å; L453-C872 HydrophobicContact CD2-CB 4.36Å; L453-L892 HydrophobicContact CD2-CD2 4.06Å
454	V	98.1	Very high	93.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.9	164	-54.4	0	0	0	0	108.9	R431 A855 C914 L915 P1009	R431-V454 HydrophobicContact CB-CG2 3.81Å; R431-V454 HydrophobicContact CG-CG2 4.26Å; R431-V454 PolarHBondContact N-O 3.01Å; R431-V454 PolarHBondContact O-N 3.03Å; V454-A855 HydrophobicContact CG1-CB 3.88Å; V454-C914 HydrophobicContact CG1-CB 4Å; V454-L915 HydrophobicContact CG1-CB 4.22Å; V454-P1009 HydrophobicContact CB-CG 3.97Å; V454-P1009 HydrophobicContact CG2-CB 4.02Å; V454-P1009 HydrophobicContact CG2-CG 3.8Å
455	M	96.3	Very high	93.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.3	-165.5	60.2	-176.2	72.1	0	0	114.3	V429 M430 L453 M818 I820 G853 Y854 V856	V429-M455 CarbonylContact O-C 3.54Å; V429-M455 VanDerWaalsContact O-CA 3.22Å; V429-M455 WeakPolarHBondContact O-CA 3.35Å; V429-M455 WeakPolarHBondContact O-CB 3.16Å; M430-M455 HydrophobicContact CB-CB 4.24Å; M430-M455 HydrophobicContact CG-CB 4.11Å; M430-M455 HydrophobicContact CG-CE 4.29Å; M430-M455 HydrophobicContact SD-CE 3.76Å; M430-M455 HydrophobicContact SD-SD 4.5Å; L453-M455 HydrophobicContact CB-CE 3.71Å; L453-M455 HydrophobicContact CD1-CE 3.94Å; L453-M455 HydrophobicContact CG-CE 4.49Å; M455-M818 HydrophobicContact SD-CE 3.64Å; M455-M818 HydrophobicContact SD-SD 4.05Å; M455-I820 HydrophobicContact CE-CD1 3.63Å; M455-I820 HydrophobicContact CE-CG1 4.48Å; M455-I820 HydrophobicContact SD-CD1 4.15Å; M455-G853 WeakPolarHBondContact O-CA 3.35Å; M455-Y854 PolarHBondContact N-O 3.25Å; M455-Y854 PolarHBondContact O-N 3.14Å; M455-V856 HydrophobicContact CE-CG2 4.3Å
456	H	95.9	Very high	93	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.037	21%	0.213	C	C	.	.			trans	-130.9	67.6	175.2	-167.1	-171.4	0	0	0	109.6	V429 F458 R459 P850 S852 P1008	V429-H456 PolarHBondContact O-N 3.09Å; H456-F458 VanDerWaalsContact C-N 3.3Å; H456-F458 PolarHBondContact O-N 2.93Å; H456-R459 WeakPolarHBondContact O-CB 3.27Å; H456-R459 PolarHBondContact O-N 2.86Å; H456-P850 PolarHBondContact CE1-O 3.36Å; H456-P850 VanDerWaalsContact CE1-O 3.26Å; H456-P850 PolarHBondContact NE2-O 3.44Å; H456-S852 PolarHBondContact CD2-O 2.89Å; H456-P1008 HydrophobicContact CB-CB 4.36Å; H456-P1008 VanDerWaalsContact CE1-CG 3.41Å; H456-P1008 WeakPolarHBondContact CE1-CG 3.35Å
457	P	95.8	Very high	92.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.013	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.7	-159	29.5	-37.5	0	0	0	114.2	M818 Y854 V876 R888 H890	P457-M818 HydrophobicContact CB-SD 4.04Å; P457-M818 HydrophobicContact CG-SD 3.74Å; P457-Y854 HydrophobicContact CG-CD2 4.03Å; P457-Y854 HydrophobicContact CG-CE2 4.34Å; P457-V876 HydrophobicContact CB-CG2 3.95Å; P457-V876 HydrophobicContact CG-CG2 4.45Å; P457-R888 WeakPolarHBondContact O-CD 3.28Å; P457-H890 PolarHBondContact O-NE2 3.37Å
458	F	95.6	Very high	92.2	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	12.8	-179.6	-155.6	-122.4	0	0	0	114.3	H456 K811 V848 P850 Y878	H456-F458 VanDerWaalsContact C-N 3.3Å; H456-F458 PolarHBondContact O-N 2.93Å; F458-K811 HydrophobicContact CE1-CD 3.87Å; F458-K811 VanDerWaalsContact CE1-CE 3.43Å; F458-K811 HydrophobicContact CE1-CG 3.98Å; F458-K811 HydrophobicContact CZ-CD 3.95Å; F458-K811 HydrophobicContact CZ-CG 4.49Å; F458-K811 WeakPolarHBondContact O-CE 3.35Å; F458-K811 PolarHBondContact O-NZ 2.87Å; F458-V848 HydrophobicContact CB-CG2 3.72Å; F458-V848 HydrophobicContact CD1-CG1 4.15Å; F458-V848 HydrophobicContact CD1-CG2 4.3Å; F458-V848 WeakPolarHBondContact CD1-O 3.41Å; F458-V848 HydrophobicContact CD2-CG1 4.36Å; F458-V848 HydrophobicContact CE1-CG1 4.3Å; F458-V848 HydrophobicContact CG-CG1 4.18Å; F458-V848 HydrophobicContact CG-CG2 4.01Å; F458-V848 HydrophobicContact CZ-CG1 4.5Å; F458-P850 HydrophobicContact CD1-CB 4.37Å; F458-P850 WeakPolarHBondContact O-CA 3.46Å; F458-P850 WeakPolarHBondContact O-CB 3.31Å; F458-Y878 HydrophobicContact CE2-CD1 4.25Å; F458-Y878 HydrophobicContact CE2-CD2 4.18Å; F458-Y878 AromaticContact CE2-CE1 3.81Å; F458-Y878 HydrophobicContact CE2-CE1 3.81Å; F458-Y878 AromaticContact CE2-CE2 3.74Å; F458-Y878 HydrophobicContact CE2-CE2 3.74Å; F458-Y878 HydrophobicContact CE2-CG 4.42Å; F458-Y878 AromaticContact CE2-CZ 3.53Å; F458-Y878 HydrophobicContact CZ-CD2 4.19Å; F458-Y878 AromaticContact CZ-CE2 3.76Å; F458-Y878 HydrophobicContact CZ-CE2 3.76Å
459	R	92.3	Very high	91.5	Very high	39 Å²	39	34 Å²	34	15%	0.147	20%	0.202	C	C	.	.			trans	-45.3	150.7	-179.7	-159.6	-165.2	-170.7	-170	17	113.1	D428 H456 K811 R888	D428-R459 VanDerWaalsContact CG-NH1 3.33Å; D428-R459 IonicContact OD2-CZ 3.73Å; D428-R459 IonicContact OD2-NH1 3.94Å; D428-R459 PolarHBondContact OD2-NH1 3.42Å; D428-R459 IonicContact OD2-NH2 2.76Å; D428-R459 PolarHBondContact OD2-NH2 3.07Å; H456-R459 WeakPolarHBondContact O-CB 3.27Å; H456-R459 PolarHBondContact O-N 2.86Å; R459-K811 VanDerWaalsContact C-NZ 3.26Å; R459-K811 PolarHBondContact O-NZ 2.92Å; R459-R888 PolarHBondContact O-NH1 2.94Å
460	D	89	Confident	90.7	Very high	67 Å²	67	38.6 Å²	38.6	36%	0.358	23%	0.23	S	C	.	.			trans	-66	132.7	161.7	-63.9	-33.7	0	0	0	109.8	R806 K811	D460-R806 IonicContact OD2-CZ 2.82Å; D460-R806 IonicContact OD2-NH1 2.78Å; D460-R806 PolarHBondContact OD2-NH1 3.41Å; D460-R806 IonicContact OD2-NH2 3.27Å; D460-R806 PolarHBondContact OD2-NH2 2.64Å; D460-K811 IonicContact OD1-NZ 2.67Å; D460-K811 PolarHBondContact OD1-NZ 3.07Å
461	M	85.6	Confident	90.3	Very high	54 Å²	54	39.8 Å²	39.8	27%	0.266	24%	0.237	S	C	.	.			trans	-137.3	138.2	-176.7	-62.1	-176.4	-61.7	0	0	108	V429 L464 T532	V429-M461 HydrophobicContact CG2-SD 3.99Å; M461-L464 HydrophobicContact CE-CB 4.3Å; M461-L464 HydrophobicContact CE-CD1 3.78Å; M461-L464 HydrophobicContact CE-CD2 3.76Å; M461-L464 HydrophobicContact CE-CG 4.16Å; M461-T532 HydrophobicContact CE-CG2 3.9Å; M461-T532 HydrophobicContact SD-CG2 4.11Å
462	S	78	Confident	90.1	Very high	98 Å²	98	40.2 Å²	40.2	69%	0.685	24%	0.239	S	C	*	.	S	Bend	trans	-72.7	-36.2	-178.2	49.5	0	0	0	0	112.8	N1050	S462-N1050 WeakPolarHBondContact CB-OD1 3.29Å; S462-N1050 PolarHBondContact OG-OD1 3.25Å
463	S	80.6	Confident	90	Very high	87 Å²	87	40.6 Å²	40.6	61%	0.608	24%	0.242	S	C	*	.			trans	-122.1	127.9	175.9	54.4	0	0	0	0	110.9
464	L	87.2	Confident	90	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.225	25%	0.251	C	S	.	.			trans	-148.3	112.5	175.9	177.8	56.2	0	0	0	109.5	M461 T466 T532 E534	M461-L464 HydrophobicContact CE-CB 4.3Å; M461-L464 HydrophobicContact CE-CD1 3.78Å; M461-L464 HydrophobicContact CE-CD2 3.76Å; M461-L464 HydrophobicContact CE-CG 4.16Å; L464-T466 PolarHBondContact O-N 2.72Å; L464-T532 HydrophobicContact CD1-CG2 3.9Å; L464-E534 HydrophobicContact CD1-CB 4.1Å; L464-E534 HydrophobicContact CD2-CB 3.89Å; L464-E534 WeakPolarHBondContact CD2-OE1 3.47Å; L464-E534 HydrophobicContact CG-CB 4.01Å
465	H	86.1	Confident	90	Very high	86 Å²	86	43 Å²	43	40%	0.398	25%	0.251	S	S	.	.			trans	-65.5	106.9	175.6	-63.2	98.9	0	0	0	109.5	P526 E534	H465-P526 HydrophobicContact CB-CB 4.29Å; H465-E534 PolarHBondContact O-N 2.88Å
466	T	90.6	Very high	90	Very high	71 Å²	71	51 Å²	51	44%	0.436	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.9	173	-55.9	0	0	0	0	108.7	L464 E534 I536	L464-T466 PolarHBondContact O-N 2.72Å; T466-E534 CarbonylContact C-O 3.57Å; T466-E534 VanDerWaalsContact CA-O 3.23Å; T466-E534 WeakPolarHBondContact CA-O 3.15Å; T466-I536 HydrophobicContact CG2-CD1 4.33Å; T466-I536 HydrophobicContact CG2-CG1 4.05Å
467	I	90.5	Very high	90.1	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118	-168.4	-54.7	173.2	0	0	0	109.5	P526 E527 V533 E534 F535 I536	I467-P526 HydrophobicContact CD1-CB 3.98Å; I467-P526 HydrophobicContact CD1-CG 3.76Å; I467-P526 HydrophobicContact CG1-CB 4.34Å; I467-P526 HydrophobicContact CG1-CG 3.93Å; I467-E527 HydrophobicContact CD1-CG 3.74Å; I467-V533 HydrophobicContact CD1-CB 3.84Å; I467-V533 HydrophobicContact CD1-CG1 3.93Å; I467-V533 HydrophobicContact CD1-CG2 4.36Å; I467-E534 PolarHBondContact N-O 3.19Å; I467-F535 HydrophobicContact CB-CD1 3.98Å; I467-F535 HydrophobicContact CB-CE1 4.36Å; I467-F535 HydrophobicContact CD1-CD1 4.4Å; I467-F535 HydrophobicContact CD1-CE1 4.02Å; I467-F535 HydrophobicContact CD1-CZ 4.44Å; I467-F535 HydrophobicContact CG2-CD1 4.08Å; I467-F535 HydrophobicContact CG2-CE1 4.25Å; I467-F535 WeakPolarHBondContact O-CA 3.5Å; I467-I536 PolarHBondContact O-N 3.41Å
468	S	86.5	Confident	90.2	Very high	88 Å²	88	55.7 Å²	55.7	62%	0.615	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.7	170	39.1	0	0	0	0	109.4
469	S	82.8	Confident	90.3	Very high	21 Å²	21	60.5 Å²	60.5	15%	0.147	33%	0.332	C	S	.	.			trans	-141.4	133.6	-178	-169	0	0	0	0	108.9	T471 R525	S469-T471 PolarHBondContact OG-O 2.87Å; S469-R525 PolarHBondContact OG-NH2 3.48Å
470	T	81.8	Confident	90.5	Very high	104 Å²	104	58.6 Å²	58.6	64%	0.638	33%	0.325	S	S	*	.	S	Bend	trans	-59.8	-53.2	176.8	40.7	0	0	0	0	110.7	E509 P538	T470-E509 VanDerWaalsContact OG1-CD 3.24Å; T470-E509 PolarHBondContact OG1-OE1 3.32Å; T470-E509 PolarHBondContact OG1-OE2 3.27Å; T470-E509 VanDerWaalsContact OG1-OE2 3.11Å; T470-P538 WeakPolarHBondContact O-CG 3.27Å
471	T	88.9	Confident	91	Very high	54 Å²	54	56 Å²	56	33%	0.331	31%	0.31	S	S	.	.	S	Bend	trans	-93.4	130.3	171.3	-61.7	0	0	0	0	111.1	S469 V473 P507 E509	S469-T471 PolarHBondContact OG-O 2.87Å; T471-V473 HydrophobicContact CG2-CG2 4.28Å; T471-P507 HydrophobicContact CG2-CG 4.35Å; T471-E509 WeakPolarHBondContact CB-OE2 3.24Å; T471-E509 PolarHBondContact N-OE2 2.74Å; T471-E509 PolarHBondContact OG1-OE2 2.9Å
472	I	94.8	Very high	91.5	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.067	30%	0.299	C	S	.	.			trans	-101.5	107.4	166	-59.9	180	0	0	0	108.7	R474 Y481 F535 P538 Y541 I887	I472-R474 PolarHBondContact O-N 3.4Å; I472-Y481 HydrophobicContact CG2-CD1 3.65Å; I472-Y481 HydrophobicContact CG2-CE1 3.8Å; I472-F535 HydrophobicContact CD1-CB 3.67Å; I472-F535 HydrophobicContact CD1-CD1 4.17Å; I472-F535 HydrophobicContact CD1-CG 3.97Å; I472-F535 HydrophobicContact CG1-CB 4.49Å; I472-F535 HydrophobicContact CG1-CD1 4.11Å; I472-F535 HydrophobicContact CG1-CG 4.41Å; I472-F535 HydrophobicContact CG2-CD1 4.18Å; I472-F535 HydrophobicContact CG2-CD2 4.49Å; I472-F535 HydrophobicContact CG2-CE1 4.16Å; I472-F535 HydrophobicContact CG2-CE2 4.48Å; I472-F535 HydrophobicContact CG2-CG 4.35Å; I472-F535 HydrophobicContact CG2-CZ 4.31Å; I472-P538 HydrophobicContact CD1-CG 4.48Å; I472-Y541 HydrophobicContact CD1-CE2 4.05Å; I472-I887 HydrophobicContact CD1-CD1 3.79Å
473	V	95.8	Very high	92.5	Very high	9 Å²	9	49 Å²	49	6%	0.055	27%	0.266	C	S	.	.			trans	-69.7	121.3	-173.6	-175.2	0	0	0	0	111.4	T471 I482 W495 P507 F510	T471-V473 HydrophobicContact CG2-CG2 4.28Å; V473-I482 HydrophobicContact CB-CB 4.25Å; V473-I482 HydrophobicContact CB-CG2 4.08Å; V473-I482 HydrophobicContact CG1-CB 4.22Å; V473-I482 HydrophobicContact CG1-CD1 4.01Å; V473-I482 PolarHBondContact O-N 2.86Å; V473-W495 HydrophobicContact CG1-CZ2 3.81Å; V473-P507 HydrophobicContact CG2-CG 4.16Å; V473-F510 HydrophobicContact CB-CD2 4.35Å; V473-F510 HydrophobicContact CB-CE2 4.43Å; V473-F510 HydrophobicContact CG2-CB 4.25Å; V473-F510 HydrophobicContact CG2-CD2 3.48Å; V473-F510 VanDerWaalsContact CG2-CD2 3.48Å; V473-F510 HydrophobicContact CG2-CE2 4.01Å; V473-F510 HydrophobicContact CG2-CG 3.97Å
474	R	97	Very high	93.2	Very high	52 Å²	52	46.1 Å²	46.1	20%	0.196	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-133.5	154.3	179.6	-69.5	173.9	-66.7	179.7	0.6	110.6	I472 T480 Y481 E540 Y541	I472-R474 PolarHBondContact O-N 3.4Å; R474-T480 CarbonylContact C-O 3.55Å; R474-T480 VanDerWaalsContact CA-O 3.28Å; R474-T480 WeakPolarHBondContact CA-O 3.46Å; R474-Y481 HydrophobicContact CG-CD1 3.61Å; R474-Y481 HydrophobicContact CG-CE1 3.88Å; R474-Y481 HydrophobicContact CG-CG 4.15Å; R474-E540 IonicContact CZ-OE1 3.81Å; R474-E540 IonicContact NH1-OE1 2.79Å; R474-E540 IonicContact NH2-OE1 2.64Å; R474-E540 PolarHBondContact NH2-OE1 2.91Å; R474-E540 IonicContact NH2-OE2 2.86Å; R474-Y541 WeakPolarHBondContact CD-OH 3.2Å; R474-Y541 PolarHBondContact NE-OH 2.72Å; R474-Y541 PolarHBondContact NH1-OH 3.29Å
475	C	98.2	Very high	93.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.			trans	-66.6	134.7	173.9	180	0	0	0	0	110.9	S477 R479 T480 W495 C497 N504	C475-S477 PolarHBondContact O-N 2.96Å; C475-R479 WeakPolarHBondContact O-CA 3.4Å; C475-R479 PolarHBondContact O-N 3.38Å; C475-R479 VanDerWaalsContact O-N 3.09Å; C475-T480 PolarHBondContact N-O 2.86Å; C475-W495 HydrophobicContact CB-CH2 3.84Å; C475-W495 HydrophobicContact CB-CZ2 4.46Å; C475-W495 HydrophobicContact CB-CZ3 4.45Å; C475-C497 HydrophobicContact CB-CB 4.02Å; C475-N504 WeakPolarHBondContact CA-OD1 3.44Å; C475-N504 PolarHBondContact SG-ND2 3.39Å; C475-N504 VanDerWaalsContact SG-ND2 3.42Å; C475-N504 PolarHBondContact SG-OD1 2.86Å; C475-N504 VanDerWaalsContact SG-OD1 3.36Å
476	R	97.5	Very high	94.1	Very high	167 Å²	167	42.1 Å²	42.1	63%	0.63	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.4	-178	68.6	-163.3	165.3	137.5	-3.1	115.1	L502 A503 N504	R476-L502 HydrophobicContact CG-CD2 3.78Å; R476-A503 PolarHBondContact NE-O 2.68Å; R476-A503 PolarHBondContact NH2-O 2.82Å; R476-N504 WeakPolarHBondContact CG-OD1 3.4Å; R476-N504 PolarHBondContact N-OD1 3.15Å
477	S	97.6	Very high	94.3	Very high	74 Å²	74	43.9 Å²	43.9	52%	0.517	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-85.5	173.5	167.7	0	0	0	0	110.9	C475 R479 L502	C475-S477 PolarHBondContact O-N 2.96Å; S477-R479 PolarHBondContact O-N 2.78Å; S477-L502 VanDerWaalsContact CB-CD2 3.47Å
478	C	97.5	Very high	94.5	Very high	35 Å²	35	46.9 Å²	46.9	24%	0.236	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.5	-172.2	65.6	0	0	0	0	115.6	T480 C497 V499 C500 R821	C478-T480 PolarHBondContact O-N 3.37Å; C478-T480 VanDerWaalsContact O-N 3.14Å; C478-T480 PolarHBondContact SG-OG1 2.92Å; C478-C497 VanDerWaalsContact SG-SG 3.67Å; C478-V499 HydrophobicContact CB-CG1 4.3Å; C478-C500 HydrophobicContact CB-CB 4.13Å; C478-C500 PolarHBondContact SG-SG 3.29Å; C478-R821 WeakPolarHBondContact O-CD 3.47Å; C478-R821 PolarHBondContact O-NE 3.13Å
479	R	97.3	Very high	94.8	Very high	104 Å²	104	44.3 Å²	44.3	39%	0.392	22%	0.221	S	C	.	.			trans	59.3	18	-177.7	-47.5	-67.3	-109.2	159.8	-3	115.2	C475 S477	C475-R479 WeakPolarHBondContact O-CA 3.4Å; C475-R479 PolarHBondContact O-N 3.38Å; C475-R479 VanDerWaalsContact O-N 3.09Å; S477-R479 PolarHBondContact O-N 2.78Å
480	T	98.3	Very high	95.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-59	134.6	167.8	-62.4	0	0	0	0	110.4	R474 C475 C478 V499 R821 Q873	R474-T480 CarbonylContact C-O 3.55Å; R474-T480 VanDerWaalsContact CA-O 3.28Å; R474-T480 WeakPolarHBondContact CA-O 3.46Å; C475-T480 PolarHBondContact N-O 2.86Å; C478-T480 PolarHBondContact O-N 3.37Å; C478-T480 VanDerWaalsContact O-N 3.14Å; C478-T480 PolarHBondContact SG-OG1 2.92Å; T480-V499 HydrophobicContact CG2-CB 4.17Å; T480-V499 HydrophobicContact CG2-CG2 3.78Å; T480-R821 WeakPolarHBondContact OG1-CD 3.5Å; T480-Q873 VanDerWaalsContact CG2-OE1 3.3Å
481	Y	98.1	Very high	95.4	Very high	13 Å²	13	48.9 Å²	48.9	5%	0.051	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-70.1	144.6	175.2	-62.1	-89.2	0	0	0	110.6	I472 R474 N483 F535 Q873 A875 I887 V889	I472-Y481 HydrophobicContact CG2-CD1 3.65Å; I472-Y481 HydrophobicContact CG2-CE1 3.8Å; R474-Y481 HydrophobicContact CG-CD1 3.61Å; R474-Y481 HydrophobicContact CG-CE1 3.88Å; R474-Y481 HydrophobicContact CG-CG 4.15Å; Y481-N483 PolarHBondContact O-ND2 2.88Å; Y481-F535 HydrophobicContact CD1-CE2 4.42Å; Y481-Q873 PolarHBondContact O-NE2 3.31Å; Y481-A875 HydrophobicContact CD2-CB 4.01Å; Y481-A875 HydrophobicContact CE2-CB 3.52Å; Y481-I887 HydrophobicContact CE1-CD1 4.28Å; Y481-I887 HydrophobicContact CE1-CG2 4.18Å; Y481-I887 HydrophobicContact CE2-CG2 4.29Å; Y481-V889 HydrophobicContact CD1-CG2 4.41Å; Y481-V889 HydrophobicContact CD2-CG1 4.4Å; Y481-V889 HydrophobicContact CD2-CG2 3.9Å; Y481-V889 HydrophobicContact CE2-CG2 4.28Å; Y481-V889 HydrophobicContact CG-CG2 3.99Å
482	I	97.5	Very high	95.2	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-58.4	144.7	172.7	-149.6	173.1	0	0	0	110	V473 V486 W495 F510 E527 I528	V473-I482 HydrophobicContact CB-CB 4.25Å; V473-I482 HydrophobicContact CB-CG2 4.08Å; V473-I482 HydrophobicContact CG1-CB 4.22Å; V473-I482 HydrophobicContact CG1-CD1 4.01Å; V473-I482 PolarHBondContact O-N 2.86Å; I482-V486 HydrophobicContact CD1-CG2 4.42Å; I482-V486 HydrophobicContact CG1-CG1 4.02Å; I482-V486 HydrophobicContact CG1-CG2 4.01Å; I482-W495 HydrophobicContact CB-CH2 4.33Å; I482-W495 HydrophobicContact CD1-CD2 3.99Å; I482-W495 HydrophobicContact CD1-CE3 4.42Å; I482-W495 HydrophobicContact CD1-CG 4.16Å; I482-W495 HydrophobicContact CG1-CD2 4.14Å; I482-W495 HydrophobicContact CG1-CE3 4.08Å; I482-W495 HydrophobicContact CG1-CH2 4.28Å; I482-W495 HydrophobicContact CG1-CZ2 4.4Å; I482-W495 HydrophobicContact CG1-CZ3 4.14Å; I482-F510 HydrophobicContact CD1-CE1 3.87Å; I482-F510 HydrophobicContact CD1-CZ 3.92Å; I482-F510 HydrophobicContact CG2-CE2 3.98Å; I482-F510 HydrophobicContact CG2-CZ 3.77Å; I482-E527 HydrophobicContact CG2-CB 3.88Å; I482-E527 HydrophobicContact CG2-CG 4.31Å; I482-I528 HydrophobicContact CD1-CD1 4.03Å; I482-I528 HydrophobicContact CG1-CD1 3.86Å; I482-I528 HydrophobicContact CG2-CD1 4.31Å
483	N	97.1	Very high	95	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.268	C	S	.	.			trans	-159.3	167.9	-164.2	61.8	85.2	0	0	0	110.7	Y481 F485 V486 S498 E527 T891	Y481-N483 PolarHBondContact O-ND2 2.88Å; N483-F485 PolarHBondContact O-N 3.4Å; N483-F485 PolarHBondContact OD1-N 2.82Å; N483-V486 WeakPolarHBondContact O-CG2 3.46Å; N483-V486 PolarHBondContact O-N 3.02Å; N483-S498 PolarHBondContact ND2-OG 3.46Å; N483-S498 VanDerWaalsContact ND2-OG 3.09Å; N483-S498 PolarHBondContact OD1-OG 2.91Å; N483-E527 CarbonylContact C-O 3.54Å; N483-E527 WeakPolarHBondContact CA-O 3.23Å; N483-T891 HydrophobicContact CB-CG2 4.04Å
484	P	96.5	Very high	95	Very high	26 Å²	26	58.4 Å²	58.4	17%	0.169	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.8	-176	-26.8	35.3	0	0	0	116.7	I423 E527 I528 S530 A531	I423-P484 HydrophobicContact CG2-CB 3.77Å; I423-P484 HydrophobicContact CG2-CG 3.72Å; P484-E527 WeakPolarHBondContact CD-O 3.39Å; P484-I528 WeakPolarHBondContact CA-O 3.45Å; P484-I528 WeakPolarHBondContact CB-O 3.43Å; P484-I528 WeakPolarHBondContact CG-O 3.16Å; P484-S530 WeakPolarHBondContact CG-O 3.08Å; P484-A531 HydrophobicContact CG-CB 4.42Å
485	F	96.4	Very high	95	Very high	31 Å²	31	56 Å²	56	14%	0.136	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	7.1	-172.5	-48.1	-70.5	0	0	0	113.7	L419 T421 I423 N483 T891 C893	L419-F485 HydrophobicContact CD1-CE1 4.28Å; T421-F485 HydrophobicContact CG2-CE1 4.05Å; I423-F485 VanDerWaalsContact O-CE1 3.32Å; I423-F485 WeakPolarHBondContact O-CE1 3.39Å; I423-F485 VanDerWaalsContact O-CZ 3.27Å; I423-F485 WeakPolarHBondContact O-CZ 3.36Å; N483-F485 PolarHBondContact O-N 3.4Å; N483-F485 PolarHBondContact OD1-N 2.82Å; F485-T891 HydrophobicContact CD2-CG2 3.69Å; F485-T891 HydrophobicContact CE2-CG2 3.87Å; F485-C893 HydrophobicContact CD1-CB 3.53Å; F485-C893 HydrophobicContact CD2-CB 3.76Å; F485-C893 HydrophobicContact CE1-CB 3.37Å; F485-C893 HydrophobicContact CE2-CB 3.6Å; F485-C893 HydrophobicContact CG-CB 3.72Å; F485-C893 HydrophobicContact CZ-CB 3.39Å
486	V	96.1	Very high	94.9	Very high	13 Å²	13	60.8 Å²	60.8	8%	0.079	29%	0.29	C	S	.	.			trans	-72.5	144.6	173.8	-57.3	0	0	0	0	110.7	I482 N483 F488 W495 R496 I528	I482-V486 HydrophobicContact CD1-CG2 4.42Å; I482-V486 HydrophobicContact CG1-CG1 4.02Å; I482-V486 HydrophobicContact CG1-CG2 4.01Å; N483-V486 WeakPolarHBondContact O-CG2 3.46Å; N483-V486 PolarHBondContact O-N 3.02Å; V486-F488 HydrophobicContact CG2-CE1 4.25Å; V486-F488 HydrophobicContact CG2-CZ 4.22Å; V486-W495 HydrophobicContact CB-CE3 3.88Å; V486-W495 HydrophobicContact CG1-CE3 3.5Å; V486-W495 HydrophobicContact CG1-CZ3 3.67Å; V486-W495 HydrophobicContact CG2-CB 4.47Å; V486-R496 WeakPolarHBondContact CA-O 3.35Å; V486-R496 WeakPolarHBondContact CB-O 3.41Å; V486-I528 HydrophobicContact CG2-CD1 4.18Å
487	Q	94.3	Very high	94.9	Very high	109 Å²	109	52.9 Å²	52.9	51%	0.509	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.7	174.5	-58.8	173.2	-18.7	0	0	108.8	W495 R496	Q487-W495 CarbonylContact O-C 3.54Å; Q487-W495 WeakPolarHBondContact O-CA 3.36Å; Q487-R496 HydrophobicContact CB-CB 4.11Å; Q487-R496 PolarHBondContact N-O 2.77Å; Q487-R496 PolarHBondContact O-N 3.26Å
488	F	94.4	Very high	94.9	Very high	66 Å²	66	49.9 Å²	49.9	29%	0.289	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.2	169.2	-65.9	-60.1	0	0	0	110.8	V486 R494 W495 I506 P522 I528	V486-F488 HydrophobicContact CG2-CE1 4.25Å; V486-F488 HydrophobicContact CG2-CZ 4.22Å; F488-R494 WeakPolarHBondContact CA-O 3.42Å; F488-W495 HydrophobicContact CD1-CB 4.15Å; F488-W495 HydrophobicContact CE1-CB 4.4Å; F488-I506 HydrophobicContact CD1-CD1 3.67Å; F488-I506 HydrophobicContact CE1-CD1 3.5Å; F488-P522 HydrophobicContact CE1-CB 4.4Å; F488-P522 HydrophobicContact CE1-CG 4.27Å; F488-P522 HydrophobicContact CZ-CB 4.37Å; F488-P522 HydrophobicContact CZ-CG 4.44Å; F488-I528 HydrophobicContact CE2-CG2 4.02Å; F488-I528 HydrophobicContact CZ-CD1 3.93Å; F488-I528 HydrophobicContact CZ-CG1 4.04Å; F488-I528 HydrophobicContact CZ-CG2 4.22Å
489	M	93.1	Very high	94.8	Very high	34 Å²	34	48.6 Å²	48.6	17%	0.167	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165.7	-176.5	-55.5	-172.2	-51.9	0	0	109.5	S491 G492 R493 R494 R496 A503	M489-S491 VanDerWaalsContact C-N 3.29Å; M489-S491 PolarHBondContact O-N 3.09Å; M489-G492 PolarHBondContact O-N 3.24Å; M489-R493 PolarHBondContact O-N 3.46Å; M489-R494 HydrophobicContact CB-CB 4.25Å; M489-R494 HydrophobicContact CE-CB 4.13Å; M489-R494 PolarHBondContact N-O 2.7Å; M489-R494 PolarHBondContact O-N 2.85Å; M489-R496 HydrophobicContact CE-CB 4.43Å; M489-R496 HydrophobicContact SD-CB 4.09Å; M489-A503 HydrophobicContact CE-CB 3.64Å
490	D	90.9	Very high	94.8	Very high	90 Å²	90	44.9 Å²	44.9	48%	0.481	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	50.3	49.8	174.5	-55.6	4.9	0	0	0	111.6	G492 R493 R494	D490-G492 VanDerWaalsContact C-N 3.29Å; D490-G492 PolarHBondContact O-N 3.12Å; D490-R493 HydrophobicContact CB-CB 4.41Å; D490-R493 WeakPolarHBondContact O-CB 3.43Å; D490-R493 WeakPolarHBondContact O-CG 3.31Å; D490-R493 PolarHBondContact O-N 2.78Å; D490-R493 VanDerWaalsContact O-N 3.12Å; D490-R494 WeakPolarHBondContact OD2-CD 3.45Å; D490-R494 IonicContact OD2-CZ 3.76Å; D490-R494 IonicContact OD2-NE 3.71Å; D490-R494 IonicContact OD2-NH1 3.69Å; D490-R494 PolarHBondContact OD2-NH1 3.37Å
491	S	85.5	Confident	94.7	Very high	131 Å²	131	49 Å²	49	92%	0.916	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	50.8	40.8	-174.9	-60.5	0	0	0	0	114.8	M489	M489-S491 VanDerWaalsContact C-N 3.29Å; M489-S491 PolarHBondContact O-N 3.09Å
492	G	85.4	Confident	94.6	Very high	10 Å²	10	51.2 Å²	51.2	10%	0.103	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	87.3	5.6	178.3	0	0	0	0	0	114.4	M489 D490 I506	M489-G492 PolarHBondContact O-N 3.24Å; D490-G492 VanDerWaalsContact C-N 3.29Å; D490-G492 PolarHBondContact O-N 3.12Å; G492-I506 WeakPolarHBondContact O-CD1 3.4Å
493	R	90.7	Very high	94.6	Very high	177 Å²	177	52.1 Å²	52.1	67%	0.668	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.4	176.4	-64.8	179.5	175.3	-128.8	-3.9	113.8	M489 D490 I506 Y511	M489-R493 PolarHBondContact O-N 3.46Å; D490-R493 HydrophobicContact CB-CB 4.41Å; D490-R493 WeakPolarHBondContact O-CB 3.43Å; D490-R493 WeakPolarHBondContact O-CG 3.31Å; D490-R493 PolarHBondContact O-N 2.78Å; D490-R493 VanDerWaalsContact O-N 3.12Å; R493-I506 PolarHBondContact O-N 3Å; R493-Y511 WeakPolarHBondContact CA-OH 3.22Å
494	R	95.5	Very high	94.7	Very high	90 Å²	90	52.4 Å²	52.4	34%	0.34	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.3	-176.3	-69.6	166.2	87.7	-163	5.9	110.9	F488 M489 D490 N504	F488-R494 WeakPolarHBondContact CA-O 3.42Å; M489-R494 HydrophobicContact CB-CB 4.25Å; M489-R494 HydrophobicContact CE-CB 4.13Å; M489-R494 PolarHBondContact N-O 2.7Å; M489-R494 PolarHBondContact O-N 2.85Å; D490-R494 WeakPolarHBondContact OD2-CD 3.45Å; D490-R494 IonicContact OD2-CZ 3.76Å; D490-R494 IonicContact OD2-NE 3.71Å; D490-R494 IonicContact OD2-NH1 3.69Å; D490-R494 PolarHBondContact OD2-NH1 3.37Å; R494-N504 CarbonylContact C-O 3.4Å; R494-N504 WeakPolarHBondContact CA-O 3.44Å; R494-N504 VanDerWaalsContact CB-O 3.23Å; R494-N504 WeakPolarHBondContact CB-O 3.36Å
495	W	96.4	Very high	94.7	Very high	1 Å²	1	56 Å²	56	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.9	175.5	64.4	-75.1	0	0	0	111.6	V473 C475 I482 V486 Q487 F488 C497 N504 T505 I506	V473-W495 HydrophobicContact CG1-CZ2 3.81Å; C475-W495 HydrophobicContact CB-CH2 3.84Å; C475-W495 HydrophobicContact CB-CZ2 4.46Å; C475-W495 HydrophobicContact CB-CZ3 4.45Å; I482-W495 HydrophobicContact CB-CH2 4.33Å; I482-W495 HydrophobicContact CD1-CD2 3.99Å; I482-W495 HydrophobicContact CD1-CE3 4.42Å; I482-W495 HydrophobicContact CD1-CG 4.16Å; I482-W495 HydrophobicContact CG1-CD2 4.14Å; I482-W495 HydrophobicContact CG1-CE3 4.08Å; I482-W495 HydrophobicContact CG1-CH2 4.28Å; I482-W495 HydrophobicContact CG1-CZ2 4.4Å; I482-W495 HydrophobicContact CG1-CZ3 4.14Å; V486-W495 HydrophobicContact CB-CE3 3.88Å; V486-W495 HydrophobicContact CG1-CE3 3.5Å; V486-W495 HydrophobicContact CG1-CZ3 3.67Å; V486-W495 HydrophobicContact CG2-CB 4.47Å; Q487-W495 CarbonylContact O-C 3.54Å; Q487-W495 WeakPolarHBondContact O-CA 3.36Å; F488-W495 HydrophobicContact CD1-CB 4.15Å; F488-W495 HydrophobicContact CE1-CB 4.4Å; W495-C497 HydrophobicContact CE3-CB 4.45Å; W495-C497 HydrophobicContact CZ3-CB 3.97Å; W495-N504 HydrophobicContact CD2-CB 4.08Å; W495-N504 HydrophobicContact CG-CB 4.26Å; W495-N504 HydrophobicContact CZ2-CB 4.06Å; W495-N504 PolarHBondContact N-O 3.25Å; W495-N504 PolarHBondContact O-N 2.81Å; W495-T505 PolarHBondContact NE1-O 3.32Å; W495-I506 HydrophobicContact CB-CD1 4.46Å; W495-I506 HydrophobicContact CB-CG1 4.49Å; W495-I506 HydrophobicContact CG-CG1 4.35Å
496	R	97.3	Very high	94.6	Very high	100 Å²	100	54.7 Å²	54.7	38%	0.377	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.5	170.1	-169	177.9	-77.9	140.4	-6.7	109.3	V486 Q487 M489 F501	V486-R496 WeakPolarHBondContact CA-O 3.35Å; V486-R496 WeakPolarHBondContact CB-O 3.41Å; Q487-R496 HydrophobicContact CB-CB 4.11Å; Q487-R496 PolarHBondContact N-O 2.77Å; Q487-R496 PolarHBondContact O-N 3.26Å; M489-R496 HydrophobicContact CE-CB 4.43Å; M489-R496 HydrophobicContact SD-CB 4.09Å; R496-F501 WeakPolarHBondContact CG-O 3.44Å
497	C	97.8	Very high	94.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	29%	0.288	C	S	.	.			trans	-69	131.2	178.1	-177.6	0	0	0	0	111.5	C475 C478 W495 V499 F501 L502	C475-C497 HydrophobicContact CB-CB 4.02Å; C478-C497 VanDerWaalsContact SG-SG 3.67Å; W495-C497 HydrophobicContact CE3-CB 4.45Å; W495-C497 HydrophobicContact CZ3-CB 3.97Å; C497-V499 PolarHBondContact O-N 3.32Å; C497-V499 PolarHBondContact SG-N 3.11Å; C497-F501 WeakPolarHBondContact O-CA 3.47Å; C497-F501 PolarHBondContact O-N 2.95Å; C497-L502 PolarHBondContact N-O 3.11Å
498	S	95.8	Very high	94.2	Very high	12 Å²	12	57.2 Å²	57.2	8%	0.084	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.8	177.2	43.1	0	0	0	0	115.1	N483 T823	N483-S498 PolarHBondContact ND2-OG 3.46Å; N483-S498 VanDerWaalsContact ND2-OG 3.09Å; N483-S498 PolarHBondContact OD1-OG 2.91Å; S498-T823 PolarHBondContact O-OG1 3.13Å
499	V	97	Very high	93.8	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.042	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-47.6	-176.9	160.7	0	0	0	0	113.3	C478 T480 C497 C822 T823 Q824 C871	C478-V499 HydrophobicContact CB-CG1 4.3Å; T480-V499 HydrophobicContact CG2-CB 4.17Å; T480-V499 HydrophobicContact CG2-CG2 3.78Å; C497-V499 PolarHBondContact O-N 3.32Å; C497-V499 PolarHBondContact SG-N 3.11Å; V499-C822 WeakPolarHBondContact CG1-O 3.34Å; V499-T823 VanDerWaalsContact O-CA 3.31Å; V499-T823 WeakPolarHBondContact O-CA 3.35Å; V499-Q824 PolarHBondContact O-N 3.11Å; V499-C871 HydrophobicContact CG2-CB 4.36Å
500	C	96.6	Very high	93.7	Very high	26 Å²	26	56.7 Å²	56.7	18%	0.176	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	8.3	-178	68.8	0	0	0	0	114.2	C478 L502	C478-C500 HydrophobicContact CB-CB 4.13Å; C478-C500 PolarHBondContact SG-SG 3.29Å; C500-L502 PolarHBondContact O-N 3.21Å
501	F	95.9	Very high	93.7	Very high	87 Å²	87	55.1 Å²	55.1	38%	0.382	28%	0.281	S	S	.	.			trans	56.3	6.9	178.2	-48.2	-64.4	0	0	0	116.6	R496 C497 T823	R496-F501 WeakPolarHBondContact CG-O 3.44Å; C497-F501 WeakPolarHBondContact O-CA 3.47Å; C497-F501 PolarHBondContact O-N 2.95Å; F501-T823 HydrophobicContact CE1-CG2 4.47Å; F501-T823 HydrophobicContact CE2-CG2 3.79Å; F501-T823 HydrophobicContact CZ-CG2 3.47Å; F501-T823 VanDerWaalsContact CZ-CG2 3.47Å
502	L	97	Very high	93.7	Very high	60 Å²	60	52.5 Å²	52.5	31%	0.314	25%	0.252	S	S	.	.			trans	-67.5	138.1	176.1	-177.5	61.4	0	0	0	111.2	R476 S477 C497 C500 N504	R476-L502 HydrophobicContact CG-CD2 3.78Å; S477-L502 VanDerWaalsContact CB-CD2 3.47Å; C497-L502 PolarHBondContact N-O 3.11Å; C500-L502 PolarHBondContact O-N 3.21Å; L502-N504 PolarHBondContact O-ND2 2.87Å
503	A	97.6	Very high	93.5	Very high	23 Å²	23	52.7 Å²	52.7	19%	0.19	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.1	168.8	0	0	0	0	0	111.3	R476 M489	R476-A503 PolarHBondContact NE-O 2.68Å; R476-A503 PolarHBondContact NH2-O 2.82Å; M489-A503 HydrophobicContact CE-CB 3.64Å
504	N	97.9	Very high	92.9	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.032	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.1	177	-56.5	-91.3	0	0	0	109.2	C475 R476 R494 W495 L502	C475-N504 WeakPolarHBondContact CA-OD1 3.44Å; C475-N504 PolarHBondContact SG-ND2 3.39Å; C475-N504 VanDerWaalsContact SG-ND2 3.42Å; C475-N504 PolarHBondContact SG-OD1 2.86Å; C475-N504 VanDerWaalsContact SG-OD1 3.36Å; R476-N504 WeakPolarHBondContact CG-OD1 3.4Å; R476-N504 PolarHBondContact N-OD1 3.15Å; R494-N504 CarbonylContact C-O 3.4Å; R494-N504 WeakPolarHBondContact CA-O 3.44Å; R494-N504 VanDerWaalsContact CB-O 3.23Å; R494-N504 WeakPolarHBondContact CB-O 3.36Å; W495-N504 HydrophobicContact CD2-CB 4.08Å; W495-N504 HydrophobicContact CG-CB 4.26Å; W495-N504 HydrophobicContact CZ2-CB 4.06Å; W495-N504 PolarHBondContact N-O 3.25Å; W495-N504 PolarHBondContact O-N 2.81Å; L502-N504 PolarHBondContact O-ND2 2.87Å
505	T	96.4	Very high	91.9	Very high	102 Å²	102	45.1 Å²	45.1	63%	0.626	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	152.9	171	-46	0	0	0	0	109.8	W495	W495-T505 PolarHBondContact NE1-O 3.32Å
506	I	94.3	Very high	91.3	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-90.7	126.2	168.8	-66.2	-165.6	0	0	0	108.9	F488 G492 R493 W495 F510 Y511 P522	F488-I506 HydrophobicContact CD1-CD1 3.67Å; F488-I506 HydrophobicContact CE1-CD1 3.5Å; G492-I506 WeakPolarHBondContact O-CD1 3.4Å; R493-I506 PolarHBondContact O-N 3Å; W495-I506 HydrophobicContact CB-CD1 4.46Å; W495-I506 HydrophobicContact CB-CG1 4.49Å; W495-I506 HydrophobicContact CG-CG1 4.35Å; I506-F510 HydrophobicContact CG2-CB 3.74Å; I506-F510 HydrophobicContact CG2-CD1 3.86Å; I506-F510 HydrophobicContact CG2-CG 4.21Å; I506-Y511 HydrophobicContact CG2-CE2 4.35Å; I506-P522 HydrophobicContact CD1-CB 4.33Å; I506-P522 HydrophobicContact CD1-CG 4.11Å
507	P	92.9	Very high	90.5	Very high	49 Å²	49	51.4 Å²	51.4	32%	0.318	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.5	147.1	171.9	-18.1	32.4	0	0	0	111.6	T471 V473 E509 F510	T471-P507 HydrophobicContact CG2-CG 4.35Å; V473-P507 HydrophobicContact CG2-CG 4.16Å; P507-E509 PolarHBondContact O-N 2.93Å; P507-F510 VanDerWaalsContact O-CB 3.32Å; P507-F510 WeakPolarHBondContact O-CB 3.25Å; P507-F510 PolarHBondContact O-N 3.18Å
508	D	89	Confident	89.9	Confident	126 Å²	126	54.2 Å²	54.2	67%	0.674	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-64.3	-26.2	-172.8	-60.6	-47.6	0	0	0	113.9	F510 Y511	D508-F510 PolarHBondContact O-N 2.97Å; D508-Y511 WeakPolarHBondContact O-CD2 3.32Å; D508-Y511 PolarHBondContact O-N 3.13Å
509	E	87.4	Confident	89.4	Confident	84 Å²	84	62 Å²	62	39%	0.393	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-59.7	-22.7	171	-60.9	-176.7	143	0	0	113.4	T470 T471 P507 Y512 R525	T470-E509 VanDerWaalsContact OG1-CD 3.24Å; T470-E509 PolarHBondContact OG1-OE1 3.32Å; T470-E509 PolarHBondContact OG1-OE2 3.27Å; T470-E509 VanDerWaalsContact OG1-OE2 3.11Å; T471-E509 WeakPolarHBondContact CB-OE2 3.24Å; T471-E509 PolarHBondContact N-OE2 2.74Å; T471-E509 PolarHBondContact OG1-OE2 2.9Å; P507-E509 PolarHBondContact O-N 2.93Å; E509-Y512 PolarHBondContact O-N 3.12Å; E509-R525 PolarHBondContact O-NH1 3.29Å
510	F	90.9	Very high	88.7	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.018	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-86	-7.6	-175.7	-161.1	-98.7	0	0	0	113.6	V473 I482 I506 P507 D508 Y512 P522 R525 E527 I528	V473-F510 HydrophobicContact CB-CD2 4.35Å; V473-F510 HydrophobicContact CB-CE2 4.43Å; V473-F510 HydrophobicContact CG2-CB 4.25Å; V473-F510 HydrophobicContact CG2-CD2 3.48Å; V473-F510 VanDerWaalsContact CG2-CD2 3.48Å; V473-F510 HydrophobicContact CG2-CE2 4.01Å; V473-F510 HydrophobicContact CG2-CG 3.97Å; I482-F510 HydrophobicContact CD1-CE1 3.87Å; I482-F510 HydrophobicContact CD1-CZ 3.92Å; I482-F510 HydrophobicContact CG2-CE2 3.98Å; I482-F510 HydrophobicContact CG2-CZ 3.77Å; I506-F510 HydrophobicContact CG2-CB 3.74Å; I506-F510 HydrophobicContact CG2-CD1 3.86Å; I506-F510 HydrophobicContact CG2-CG 4.21Å; P507-F510 VanDerWaalsContact O-CB 3.32Å; P507-F510 WeakPolarHBondContact O-CB 3.25Å; P507-F510 PolarHBondContact O-N 3.18Å; D508-F510 PolarHBondContact O-N 2.97Å; F510-Y512 VanDerWaalsContact C-N 3.29Å; F510-P522 HydrophobicContact CD1-CB 3.67Å; F510-P522 HydrophobicContact CE1-CB 3.82Å; F510-R525 HydrophobicContact CZ-CB 4.28Å; F510-R525 VanDerWaalsContact O-CD 3.22Å; F510-R525 WeakPolarHBondContact O-CD 3.31Å; F510-E527 HydrophobicContact CZ-CB 4.47Å; F510-I528 HydrophobicContact CE1-CD1 4.44Å; F510-I528 HydrophobicContact CE1-CG1 4.32Å; F510-I528 HydrophobicContact CZ-CD1 4.2Å; F510-I528 HydrophobicContact CZ-CG1 4.15Å
511	Y	89.7	Confident	88.1	Confident	57 Å²	57	65.8 Å²	65.8	22%	0.224	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-78.2	-15.5	165.7	-59.5	-80.9	0	0	0	112.4	R493 I506 D508 Y519 G520 P522	R493-Y511 WeakPolarHBondContact CA-OH 3.22Å; I506-Y511 HydrophobicContact CG2-CE2 4.35Å; D508-Y511 WeakPolarHBondContact O-CD2 3.32Å; D508-Y511 PolarHBondContact O-N 3.13Å; Y511-Y519 CarbonylContact O-C 3.56Å; Y511-Y519 WeakPolarHBondContact O-CA 3.47Å; Y511-G520 PolarHBondContact O-N 2.95Å; Y511-P522 HydrophobicContact CD1-CG 4.42Å; Y511-P522 HydrophobicContact CE1-CG 4.45Å
512	Y	85.3	Confident	87.8	Confident	76 Å²	76	61.9 Å²	61.9	30%	0.298	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.6	170.8	-177.3	-107.3	0	0	0	109.7	E509 F510 P514 Q517 Y519 R525	E509-Y512 PolarHBondContact O-N 3.12Å; F510-Y512 VanDerWaalsContact C-N 3.29Å; Y512-P514 HydrophobicContact CE1-CB 4.44Å; Y512-P514 WeakPolarHBondContact O-CD 3.37Å; Y512-Q517 WeakPolarHBondContact OH-CA 3.33Å; Y512-Q517 WeakPolarHBondContact OH-CB 3.48Å; Y512-Y519 AromaticContact CD2-CD2 3.86Å; Y512-Y519 HydrophobicContact CD2-CD2 3.86Å; Y512-Y519 AromaticContact CD2-CE2 3.73Å; Y512-Y519 HydrophobicContact CD2-CE2 3.73Å; Y512-Y519 HydrophobicContact CD2-CG 4.36Å; Y512-Y519 HydrophobicContact CE2-CE2 4.46Å; Y512-Y519 HydrophobicContact CG-CE2 4.47Å; Y512-R525 WeakPolarHBondContact O-CD 3.36Å; Y512-R525 PolarHBondContact O-NH1 3.17Å
513	D	82.9	Confident	87.3	Confident	14 Å²	14	61.2 Å²	61.2	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.1	170.7	171.2	30.7	0	0	0	110.1	G515 T516 Q517 T518 R525	D513-G515 PolarHBondContact O-N 3.36Å; D513-G515 PolarHBondContact OD1-N 2.92Å; D513-T516 VanDerWaalsContact OD2-CB 3.32Å; D513-T516 WeakPolarHBondContact OD2-CB 3.49Å; D513-T516 VanDerWaalsContact OD2-CG2 3.29Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.39Å; D513-T516 PolarHBondContact OD2-N 3.3Å; D513-T516 PolarHBondContact OD2-OG1 2.8Å; D513-Q517 WeakPolarHBondContact O-CA 3.06Å; D513-Q517 PolarHBondContact O-N 2.75Å; D513-T518 PolarHBondContact N-O 2.85Å; D513-R525 HydrophobicContact CB-CG 4.47Å
514	P	77.4	Confident	86.8	Confident	42 Å²	42	66.7 Å²	66.7	27%	0.273	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.8	178.8	29.6	-35.5	0	0	0	113.3	Y512	Y512-P514 HydrophobicContact CE1-CB 4.44Å; Y512-P514 WeakPolarHBondContact O-CD 3.37Å
515	G	75.2	Confident	86.5	Confident	66 Å²	66	66.7 Å²	66.7	68%	0.68	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-43.8	177.9	0	0	0	0	0	113.4	D513	D513-G515 PolarHBondContact O-N 3.36Å; D513-G515 PolarHBondContact OD1-N 2.92Å
516	T	82.1	Confident	86.2	Confident	83 Å²	83	63 Å²	63	51%	0.509	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.6	177.8	58.1	0	0	0	0	114.4	D513 T518	D513-T516 VanDerWaalsContact OD2-CB 3.32Å; D513-T516 WeakPolarHBondContact OD2-CB 3.49Å; D513-T516 VanDerWaalsContact OD2-CG2 3.29Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.39Å; D513-T516 PolarHBondContact OD2-N 3.3Å; D513-T516 PolarHBondContact OD2-OG1 2.8Å; T516-T518 PolarHBondContact O-N 2.96Å; T516-T518 PolarHBondContact OG1-OG1 3.14Å
517	Q	82.3	Confident	86.1	Confident	151 Å²	151	63 Å²	63	71%	0.706	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	30.3	-171.5	-55.9	-172.9	-23.5	0	0	113.6	Y512 D513	Y512-Q517 WeakPolarHBondContact OH-CA 3.33Å; Y512-Q517 WeakPolarHBondContact OH-CB 3.48Å; D513-Q517 WeakPolarHBondContact O-CA 3.06Å; D513-Q517 PolarHBondContact O-N 2.75Å
518	T	84.6	Confident	86.2	Confident	60 Å²	60	61.4 Å²	61.4	37%	0.368	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149	179.1	65.3	0	0	0	0	112.4	D513 T516	D513-T518 PolarHBondContact N-O 2.85Å; T516-T518 PolarHBondContact O-N 2.96Å; T516-T518 PolarHBondContact OG1-OG1 3.14Å
519	Y	84.5	Confident	86.4	Confident	175 Å²	175	63.8 Å²	63.8	69%	0.686	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.4	163.3	-80	-90.2	0	0	0	109.9	Y511 Y512	Y511-Y519 CarbonylContact O-C 3.56Å; Y511-Y519 WeakPolarHBondContact O-CA 3.47Å; Y512-Y519 AromaticContact CD2-CD2 3.86Å; Y512-Y519 HydrophobicContact CD2-CD2 3.86Å; Y512-Y519 AromaticContact CD2-CE2 3.73Å; Y512-Y519 HydrophobicContact CD2-CE2 3.73Å; Y512-Y519 HydrophobicContact CD2-CG 4.36Å; Y512-Y519 HydrophobicContact CE2-CE2 4.46Å; Y512-Y519 HydrophobicContact CG-CE2 4.47Å
520	G	82.3	Confident	86.6	Confident	32 Å²	32	61 Å²	61	33%	0.33	32%	0.315	S	S	.	.			trans	178.9	-145.9	179.8	0	0	0	0	0	114	Y511	Y511-G520 PolarHBondContact O-N 2.95Å
521	D	85.5	Confident	86.9	Confident	81 Å²	81	61.1 Å²	61.1	43%	0.433	32%	0.316	S	S	.	.			trans	-71.2	123.5	-178.1	175.2	6.5	0	0	0	111.4	S523 R524	D521-S523 PolarHBondContact O-N 2.97Å; D521-S523 VanDerWaalsContact OD1-CB 3.3Å; D521-S523 WeakPolarHBondContact OD1-CB 3.43Å; D521-S523 PolarHBondContact OD1-N 2.93Å; D521-S523 PolarHBondContact OD1-OG 3.06Å; D521-S523 WeakPolarHBondContact OD2-CB 3.43Å; D521-S523 PolarHBondContact OD2-OG 2.93Å; D521-R524 HydrophobicContact CB-CG 4.41Å; D521-R524 WeakPolarHBondContact O-CB 3.35Å; D521-R524 WeakPolarHBondContact O-CG 3.28Å; D521-R524 PolarHBondContact O-N 2.9Å
522	P	88.2	Confident	87.2	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.032	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.1	-16	178.3	26.9	-36	0	0	0	113.6	F488 I506 F510 Y511 R524 R525	F488-P522 HydrophobicContact CE1-CB 4.4Å; F488-P522 HydrophobicContact CE1-CG 4.27Å; F488-P522 HydrophobicContact CZ-CB 4.37Å; F488-P522 HydrophobicContact CZ-CG 4.44Å; I506-P522 HydrophobicContact CD1-CB 4.33Å; I506-P522 HydrophobicContact CD1-CG 4.11Å; F510-P522 HydrophobicContact CD1-CB 3.67Å; F510-P522 HydrophobicContact CE1-CB 3.82Å; Y511-P522 HydrophobicContact CD1-CG 4.42Å; Y511-P522 HydrophobicContact CE1-CG 4.45Å; P522-R524 PolarHBondContact O-N 2.83Å; P522-R525 PolarHBondContact O-N 3.05Å
523	S	87.3	Confident	87.7	Confident	46 Å²	46	55.8 Å²	55.8	32%	0.322	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.8	-23.2	172.7	84	0	0	0	0	113.7	D521 R525	D521-S523 PolarHBondContact O-N 2.97Å; D521-S523 VanDerWaalsContact OD1-CB 3.3Å; D521-S523 WeakPolarHBondContact OD1-CB 3.43Å; D521-S523 PolarHBondContact OD1-N 2.93Å; D521-S523 PolarHBondContact OD1-OG 3.06Å; D521-S523 WeakPolarHBondContact OD2-CB 3.43Å; D521-S523 PolarHBondContact OD2-OG 2.93Å; S523-R525 VanDerWaalsContact C-N 3.33Å; S523-R525 PolarHBondContact O-N 3.21Å
524	R	87.5	Confident	88.4	Confident	137 Å²	137	55.4 Å²	55.4	52%	0.517	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-73.9	-22.7	-177.5	-64.2	179.6	177	-163.8	-3.1	113.5	D521 P522 R529	D521-R524 HydrophobicContact CB-CG 4.41Å; D521-R524 WeakPolarHBondContact O-CB 3.35Å; D521-R524 WeakPolarHBondContact O-CG 3.28Å; D521-R524 PolarHBondContact O-N 2.9Å; P522-R524 PolarHBondContact O-N 2.83Å; R524-R529 WeakPolarHBondContact O-CD 3.49Å
525	R	90.3	Very high	89.2	Confident	6 Å²	6	53.6 Å²	53.6	2%	0.023	28%	0.283	C	S	.	.	S	Bend	trans	-65.8	147.9	-170.9	-81.5	-166.7	67.5	132.5	-14.2	113.4	S469 E509 F510 Y512 D513 P522 S523 E527 I528 R529	S469-R525 PolarHBondContact OG-NH2 3.48Å; E509-R525 PolarHBondContact O-NH1 3.29Å; F510-R525 HydrophobicContact CZ-CB 4.28Å; F510-R525 VanDerWaalsContact O-CD 3.22Å; F510-R525 WeakPolarHBondContact O-CD 3.31Å; Y512-R525 WeakPolarHBondContact O-CD 3.36Å; Y512-R525 PolarHBondContact O-NH1 3.17Å; D513-R525 HydrophobicContact CB-CG 4.47Å; P522-R525 PolarHBondContact O-N 3.05Å; S523-R525 VanDerWaalsContact C-N 3.33Å; S523-R525 PolarHBondContact O-N 3.21Å; R525-E527 VanDerWaalsContact C-N 3.25Å; R525-E527 WeakPolarHBondContact CB-OE2 3.17Å; R525-E527 IonicContact CZ-OE1 2.68Å; R525-E527 IonicContact CZ-OE2 3.12Å; R525-E527 IonicContact NE-OE1 3.32Å; R525-E527 PolarHBondContact NE-OE1 3.43Å; R525-E527 IonicContact NE-OE2 3.78Å; R525-E527 PolarHBondContact NE-OE2 3.12Å; R525-E527 VanDerWaalsContact NE-OE2 3.12Å; R525-E527 IonicContact NH2-OE1 3.75Å; R525-E527 PolarHBondContact NH2-OE1 2.92Å; R525-E527 IonicContact NH2-OE2 3.4Å; R525-E527 PolarHBondContact O-N 2.99Å; R525-I528 PolarHBondContact O-N 3.02Å; R525-R529 PolarHBondContact O-N 3.13Å; R525-R529 VanDerWaalsContact O-N 3.08Å
526	P	90.4	Very high	90.2	Very high	25 Å²	25	53.7 Å²	53.7	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-30.5	-176.9	22.2	-32.2	0	0	0	113.8	H465 I467 I528 R529 S530	H465-P526 HydrophobicContact CB-CB 4.29Å; I467-P526 HydrophobicContact CD1-CB 3.98Å; I467-P526 HydrophobicContact CD1-CG 3.76Å; I467-P526 HydrophobicContact CG1-CB 4.34Å; I467-P526 HydrophobicContact CG1-CG 3.93Å; P526-I528 PolarHBondContact O-N 3.15Å; P526-R529 PolarHBondContact O-N 2.78Å; P526-S530 PolarHBondContact O-N 2.86Å
527	E	93.1	Very high	90.7	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-24.5	173	-60.2	94.1	142.4	0	0	114.1	I467 I482 N483 P484 F510 R525 F535	I467-E527 HydrophobicContact CD1-CG 3.74Å; I482-E527 HydrophobicContact CG2-CB 3.88Å; I482-E527 HydrophobicContact CG2-CG 4.31Å; N483-E527 CarbonylContact C-O 3.54Å; N483-E527 WeakPolarHBondContact CA-O 3.23Å; P484-E527 WeakPolarHBondContact CD-O 3.39Å; F510-E527 HydrophobicContact CZ-CB 4.47Å; R525-E527 VanDerWaalsContact C-N 3.25Å; R525-E527 WeakPolarHBondContact CB-OE2 3.17Å; R525-E527 IonicContact CZ-OE1 2.68Å; R525-E527 IonicContact CZ-OE2 3.12Å; R525-E527 IonicContact NE-OE1 3.32Å; R525-E527 PolarHBondContact NE-OE1 3.43Å; R525-E527 IonicContact NE-OE2 3.78Å; R525-E527 PolarHBondContact NE-OE2 3.12Å; R525-E527 VanDerWaalsContact NE-OE2 3.12Å; R525-E527 IonicContact NH2-OE1 3.75Å; R525-E527 PolarHBondContact NH2-OE1 2.92Å; R525-E527 IonicContact NH2-OE2 3.4Å; R525-E527 PolarHBondContact O-N 2.99Å; E527-F535 HydrophobicContact CG-CE1 3.52Å; E527-F535 HydrophobicContact CG-CZ 3.53Å
528	I	94.4	Very high	91.2	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	23%	0.225	C	C	.	.	H	α-helix	trans	-101.4	-27.3	-177.5	-51	-59.3	0	0	0	111.1	I482 P484 V486 F488 F510 R525 P526	I482-I528 HydrophobicContact CD1-CD1 4.03Å; I482-I528 HydrophobicContact CG1-CD1 3.86Å; I482-I528 HydrophobicContact CG2-CD1 4.31Å; P484-I528 WeakPolarHBondContact CA-O 3.45Å; P484-I528 WeakPolarHBondContact CB-O 3.43Å; P484-I528 WeakPolarHBondContact CG-O 3.16Å; V486-I528 HydrophobicContact CG2-CD1 4.18Å; F488-I528 HydrophobicContact CE2-CG2 4.02Å; F488-I528 HydrophobicContact CZ-CD1 3.93Å; F488-I528 HydrophobicContact CZ-CG1 4.04Å; F488-I528 HydrophobicContact CZ-CG2 4.22Å; F510-I528 HydrophobicContact CE1-CD1 4.44Å; F510-I528 HydrophobicContact CE1-CG1 4.32Å; F510-I528 HydrophobicContact CZ-CD1 4.2Å; F510-I528 HydrophobicContact CZ-CG1 4.15Å; R525-I528 PolarHBondContact O-N 3.02Å; P526-I528 PolarHBondContact O-N 3.15Å
529	R	92	Very high	91.5	Very high	175 Å²	175	46.8 Å²	46.8	66%	0.66	24%	0.241	S	C	*	.	H	α-helix	trans	-89.3	-18.5	179.5	-63.5	-173.8	69.2	-174.2	1.3	114.3	R524 R525 P526	R524-R529 WeakPolarHBondContact O-CD 3.49Å; R525-R529 PolarHBondContact O-N 3.13Å; R525-R529 VanDerWaalsContact O-N 3.08Å; P526-R529 PolarHBondContact O-N 2.78Å
530	S	93.6	Very high	91.8	Very high	27 Å²	27	44.6 Å²	44.6	19%	0.189	24%	0.237	C	C	.	.			trans	-123.5	133.8	177.6	-173.1	0	0	0	0	112.4	P484 P526 T532	P484-S530 WeakPolarHBondContact CG-O 3.08Å; P526-S530 PolarHBondContact O-N 2.86Å; S530-T532 VanDerWaalsContact C-N 3.26Å; S530-T532 WeakPolarHBondContact CB-O 3.5Å; S530-T532 PolarHBondContact O-N 3.47Å; S530-T532 PolarHBondContact OG-N 3Å; S530-T532 PolarHBondContact OG-O 3.28Å
531	A	95.5	Very high	92.3	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.041	23%	0.226	C	C	.	.	S	Bend	trans	-76.3	-13.2	172.3	0	0	0	0	0	113.4	I423 N424 P484 H890 T891	I423-A531 HydrophobicContact CG2-CB 4.23Å; N424-A531 WeakPolarHBondContact O-CB 3.36Å; P484-A531 HydrophobicContact CG-CB 4.42Å; A531-H890 WeakPolarHBondContact O-CA 3.48Å; A531-T891 PolarHBondContact O-N 2.9Å
532	T	96.8	Very high	92.6	Very high	17 Å²	17	42.4 Å²	42.4	10%	0.104	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.1	174.8	-73	0	0	0	0	110.1	M461 L464 S530 V889 H890	M461-T532 HydrophobicContact CE-CG2 3.9Å; M461-T532 HydrophobicContact SD-CG2 4.11Å; L464-T532 HydrophobicContact CD1-CG2 3.9Å; S530-T532 VanDerWaalsContact C-N 3.26Å; S530-T532 WeakPolarHBondContact CB-O 3.5Å; S530-T532 PolarHBondContact O-N 3.47Å; S530-T532 PolarHBondContact OG-N 3Å; S530-T532 PolarHBondContact OG-O 3.28Å; T532-V889 WeakPolarHBondContact CA-O 3.49Å; T532-H890 VanDerWaalsContact CG2-CE1 3.47Å; T532-H890 WeakPolarHBondContact CG2-CE1 3.19Å; T532-H890 WeakPolarHBondContact CG2-ND1 3.44Å; T532-H890 PolarHBondContact OG1-ND1 3.22Å
533	V	96	Very high	92.7	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.7	-178.7	-64.8	0	0	0	0	110.9	I467 F535 R888 V889	I467-V533 HydrophobicContact CD1-CB 3.84Å; I467-V533 HydrophobicContact CD1-CG1 3.93Å; I467-V533 HydrophobicContact CD1-CG2 4.36Å; V533-F535 HydrophobicContact CG2-CD2 4.41Å; V533-F535 HydrophobicContact CG2-CE2 3.67Å; V533-F535 HydrophobicContact CG2-CZ 3.95Å; V533-R888 WeakPolarHBondContact O-CA 3.46Å; V533-V889 HydrophobicContact CG2-CB 4.18Å; V533-V889 PolarHBondContact N-O 3.17Å; V533-V889 VanDerWaalsContact N-O 3.07Å; V533-V889 PolarHBondContact O-N 2.84Å
534	E	96.3	Very high	93	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.2	173	-173.8	167	-70.3	0	0	110.4	L464 H465 T466 I467 Y878 R886 I887 R888	L464-E534 HydrophobicContact CD1-CB 4.1Å; L464-E534 HydrophobicContact CD2-CB 3.89Å; L464-E534 WeakPolarHBondContact CD2-OE1 3.47Å; L464-E534 HydrophobicContact CG-CB 4.01Å; H465-E534 PolarHBondContact O-N 2.88Å; T466-E534 CarbonylContact C-O 3.57Å; T466-E534 VanDerWaalsContact CA-O 3.23Å; T466-E534 WeakPolarHBondContact CA-O 3.15Å; I467-E534 PolarHBondContact N-O 3.19Å; E534-Y878 PolarHBondContact OE1-OH 2.95Å; E534-Y878 PolarHBondContact OE2-OH 3.3Å; E534-Y878 VanDerWaalsContact OE2-OH 3.08Å; E534-R886 HydrophobicContact CG-CB 4.4Å; E534-R886 WeakPolarHBondContact OE2-CD 3.4Å; E534-R886 IonicContact OE2-CZ 2.67Å; E534-R886 IonicContact OE2-NE 2.73Å; E534-R886 IonicContact OE2-NH1 3.77Å; E534-R886 PolarHBondContact OE2-NH1 2.88Å; E534-I887 CarbonylContact C-O 3.59Å; E534-I887 WeakPolarHBondContact CA-O 3.39Å; E534-R888 HydrophobicContact CG-CB 4.48Å; E534-R888 IonicContact OE1-CZ 3.86Å; E534-R888 IonicContact OE1-NE 3.28Å; E534-R888 PolarHBondContact OE1-NE 2.93Å; E534-R888 IonicContact OE1-NH2 2.98Å; E534-R888 PolarHBondContact OE1-NH2 2.84Å
535	F	95.9	Very high	93.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141.3	174.5	-57.8	-88.3	0	0	0	110.4	I467 I472 Y481 E527 V533 R886 I887 V889	I467-F535 HydrophobicContact CB-CD1 3.98Å; I467-F535 HydrophobicContact CB-CE1 4.36Å; I467-F535 HydrophobicContact CD1-CD1 4.4Å; I467-F535 HydrophobicContact CD1-CE1 4.02Å; I467-F535 HydrophobicContact CD1-CZ 4.44Å; I467-F535 HydrophobicContact CG2-CD1 4.08Å; I467-F535 HydrophobicContact CG2-CE1 4.25Å; I467-F535 WeakPolarHBondContact O-CA 3.5Å; I472-F535 HydrophobicContact CD1-CB 3.67Å; I472-F535 HydrophobicContact CD1-CD1 4.17Å; I472-F535 HydrophobicContact CD1-CG 3.97Å; I472-F535 HydrophobicContact CG1-CB 4.49Å; I472-F535 HydrophobicContact CG1-CD1 4.11Å; I472-F535 HydrophobicContact CG1-CG 4.41Å; I472-F535 HydrophobicContact CG2-CD1 4.18Å; I472-F535 HydrophobicContact CG2-CD2 4.49Å; I472-F535 HydrophobicContact CG2-CE1 4.16Å; I472-F535 HydrophobicContact CG2-CE2 4.48Å; I472-F535 HydrophobicContact CG2-CG 4.35Å; I472-F535 HydrophobicContact CG2-CZ 4.31Å; Y481-F535 HydrophobicContact CD1-CE2 4.42Å; E527-F535 HydrophobicContact CG-CE1 3.52Å; E527-F535 HydrophobicContact CG-CZ 3.53Å; V533-F535 HydrophobicContact CG2-CD2 4.41Å; V533-F535 HydrophobicContact CG2-CE2 3.67Å; V533-F535 HydrophobicContact CG2-CZ 3.95Å; F535-R886 CarbonylContact O-C 3.56Å; F535-R886 VanDerWaalsContact O-CA 3.24Å; F535-R886 WeakPolarHBondContact O-CA 3.33Å; F535-I887 HydrophobicContact CB-CB 4.34Å; F535-I887 HydrophobicContact CD2-CB 4.39Å; F535-I887 PolarHBondContact N-O 3.37Å; F535-I887 PolarHBondContact O-N 3.29Å; F535-V889 HydrophobicContact CD2-CG2 4.09Å; F535-V889 HydrophobicContact CE2-CB 4.48Å; F535-V889 HydrophobicContact CE2-CG2 3.81Å
536	I	95.1	Very high	93.4	Very high	68 Å²	68	51.5 Å²	51.5	35%	0.349	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	124.9	154.3	-57.9	-179.4	0	0	0	106.3	T466 I467	T466-I536 HydrophobicContact CG2-CD1 4.33Å; T466-I536 HydrophobicContact CG2-CG1 4.05Å; I467-I536 PolarHBondContact O-N 3.41Å
537	A	93.8	Very high	93.5	Very high	13 Å²	13	50.6 Å²	50.6	11%	0.107	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-90.8	129.3	-169.7	0	0	0	0	0	111.4	Y541 R885 I887	A537-Y541 HydrophobicContact CB-CD2 4Å; A537-Y541 HydrophobicContact CB-CG 4.06Å; A537-R885 HydrophobicContact CB-CB 4.12Å; A537-R885 HydrophobicContact CB-CG 4.03Å; A537-R885 WeakPolarHBondContact CB-O 3.31Å; A537-R885 PolarHBondContact N-O 2.91Å; A537-I887 HydrophobicContact CB-CD1 3.77Å; A537-I887 HydrophobicContact CB-CG1 3.99Å
538	P	92.2	Very high	93.6	Very high	36 Å²	36	51.4 Å²	51.4	23%	0.234	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61	165.3	171.3	-22.5	32.1	0	0	0	112.9	T470 I472 E540 Y541	T470-P538 WeakPolarHBondContact O-CG 3.27Å; I472-P538 HydrophobicContact CD1-CG 4.48Å; P538-E540 HydrophobicContact CB-CG 4.34Å; P538-E540 PolarHBondContact O-N 3.24Å; P538-Y541 PolarHBondContact O-N 3.34Å
539	S	89.8	Confident	93.8	Very high	100 Å²	100	50.7 Å²	50.7	70%	0.699	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-59.3	-18.1	-177.6	50	0	0	0	0	115.1	Y541 T542	S539-Y541 PolarHBondContact O-N 3.48Å; S539-Y541 VanDerWaalsContact O-N 3.12Å; S539-T542 WeakPolarHBondContact CA-OG1 3.45Å; S539-T542 PolarHBondContact O-N 2.77Å; S539-T542 PolarHBondContact O-OG1 3.22Å
540	E	91.3	Very high	94.1	Very high	129 Å²	129	42.4 Å²	42.4	60%	0.603	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.5	-15.6	170.1	65.6	158.7	-108.5	0	0	113.8	R474 P538	R474-E540 IonicContact CZ-OE1 3.81Å; R474-E540 IonicContact NH1-OE1 2.79Å; R474-E540 IonicContact NH2-OE1 2.64Å; R474-E540 PolarHBondContact NH2-OE1 2.91Å; R474-E540 IonicContact NH2-OE2 2.86Å; P538-E540 HydrophobicContact CB-CG 4.34Å; P538-E540 PolarHBondContact O-N 3.24Å
541	Y	93.3	Very high	94.3	Very high	24 Å²	24	41.2 Å²	41.2	9%	0.094	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-97.6	7	175.6	-67.8	-90.1	0	0	0	113.9	I472 R474 A537 P538 S539 L877 R885 I887	I472-Y541 HydrophobicContact CD1-CE2 4.05Å; R474-Y541 WeakPolarHBondContact CD-OH 3.2Å; R474-Y541 PolarHBondContact NE-OH 2.72Å; R474-Y541 PolarHBondContact NH1-OH 3.29Å; A537-Y541 HydrophobicContact CB-CD2 4Å; A537-Y541 HydrophobicContact CB-CG 4.06Å; P538-Y541 PolarHBondContact O-N 3.34Å; S539-Y541 PolarHBondContact O-N 3.48Å; S539-Y541 VanDerWaalsContact O-N 3.12Å; Y541-L877 HydrophobicContact CD1-CD1 3.99Å; Y541-L877 HydrophobicContact CD1-CD2 4.15Å; Y541-L877 HydrophobicContact CG-CD1 4.32Å; Y541-R885 PolarHBondContact O-NE 2.84Å; Y541-I887 HydrophobicContact CD1-CD1 3.75Å; Y541-I887 HydrophobicContact CD1-CG1 4.42Å; Y541-I887 HydrophobicContact CD2-CD1 4.07Å; Y541-I887 HydrophobicContact CE1-CD1 3.43Å; Y541-I887 VanDerWaalsContact CE1-CD1 3.43Å; Y541-I887 HydrophobicContact CE1-CG1 4.37Å; Y541-I887 HydrophobicContact CE2-CD1 3.8Å; Y541-I887 HydrophobicContact CG-CD1 4.03Å; Y541-I887 VanDerWaalsContact CZ-CD1 3.43Å
542	T	91.3	Very high	94.4	Very high	44 Å²	44	41 Å²	41	27%	0.27	23%	0.234	S	C	.	.			trans	-118.2	117.7	176.7	51.6	0	0	0	0	111	S539 R544 P546 R885	S539-T542 WeakPolarHBondContact CA-OG1 3.45Å; S539-T542 PolarHBondContact O-N 2.77Å; S539-T542 PolarHBondContact O-OG1 3.22Å; T542-R544 WeakPolarHBondContact CB-O 3.19Å; T542-P546 HydrophobicContact CG2-CG 4.12Å; T542-R885 HydrophobicContact CG2-CB 3.79Å; T542-R885 HydrophobicContact CG2-CG 3.76Å
543	V	91.5	Very high	94.5	Very high	157 Å²	157	40.1 Å²	40.1	95%	0.952	23%	0.229	S	C	*	.	S	Bend	trans	-88	-12.7	173	-61.7	0	0	0	0	113.1
544	R	93.2	Very high	94.7	Very high	81 Å²	81	40 Å²	40	31%	0.306	23%	0.229	S	C	.	.	S	Bend	trans	-151.5	161.2	175.2	64.7	179.1	-171.8	154.6	5.9	107.9	T542 Q547 V673 E815	T542-R544 WeakPolarHBondContact CB-O 3.19Å; R544-Q547 VanDerWaalsContact NH2-NE2 3.12Å; R544-V673 VanDerWaalsContact CZ-O 3.22Å; R544-V673 PolarHBondContact NH1-O 3Å; R544-V673 PolarHBondContact NH2-O 2.87Å; R544-E815 IonicContact CZ-OE2 2.72Å; R544-E815 VanDerWaalsContact CZ-OE2 3.28Å; R544-E815 IonicContact NE-OE2 3.7Å; R544-E815 PolarHBondContact NE-OE2 2.66Å; R544-E815 IonicContact NH2-OE2 2.66Å; R544-E815 PolarHBondContact NH2-OE2 3.47Å
545	P	91.8	Very high	94.8	Very high	113 Å²	113	39.8 Å²	39.8	73%	0.734	23%	0.228	S	C	*	.	S	Bend	trans	-53.8	139.4	171.5	-25.4	35.2	0	0	0	111.3	Q547	P545-Q547 PolarHBondContact O-N 2.98Å
546	P	93.9	Very high	94.9	Very high	33 Å²	33	39.6 Å²	39.6	21%	0.214	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55	127	-179.7	-28.2	36	0	0	0	112.6	T542 R586 T879 G883	T542-P546 HydrophobicContact CG2-CG 4.12Å; P546-R586 PolarHBondContact O-NH1 3.1Å; P546-T879 HydrophobicContact CB-CG2 3.76Å; P546-G883 WeakPolarHBondContact CB-O 3.48Å; P546-G883 WeakPolarHBondContact CG-O 3.39Å
547	Q	92.8	Very high	95.1	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.033	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-61.7	151.4	-175.4	68.2	177	-73.2	0	0	112.3	R544 P545 R586 V673 G675 F814 E815	R544-Q547 VanDerWaalsContact NH2-NE2 3.12Å; P545-Q547 PolarHBondContact O-N 2.98Å; Q547-R586 PolarHBondContact O-NH2 2.82Å; Q547-R586 VanDerWaalsContact O-NH2 3.13Å; Q547-V673 HydrophobicContact CB-CG1 4.22Å; Q547-V673 PolarHBondContact OE1-O 2.82Å; Q547-G675 VanDerWaalsContact OE1-N 3.08Å; Q547-F814 HydrophobicContact CG-CB 4.13Å; Q547-E815 HydrophobicContact CG-CG 4.21Å; Q547-E815 PolarHBondContact N-OE1 3Å; Q547-E815 VanDerWaalsContact NE2-CG 3.34Å; Q547-E815 PolarHBondContact NE2-OE2 3.26Å
548	P	95.4	Very high	95.2	Very high	20 Å²	20	35.8 Å²	35.8	13%	0.13	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-63.8	163.2	163.3	29.2	-35.5	0	0	0	111.3	T550 R586 V673	P548-T550 PolarHBondContact O-N 2.76Å; P548-T550 VanDerWaalsContact O-N 3.12Å; P548-R586 HydrophobicContact CB-CB 3.81Å; P548-R586 VanDerWaalsContact CB-O 3.28Å; P548-R586 WeakPolarHBondContact CB-O 3.22Å; P548-V673 HydrophobicContact CG-CG1 3.68Å
549	A	97.6	Very high	95.4	Very high	2 Å²	2	38 Å²	38	2%	0.017	21%	0.213	C	C	.	.			trans	-79.1	91.9	172.8	0	0	0	0	0	109.8	Y551 R587 Q588 F814	A549-Y551 HydrophobicContact CB-CE2 3.85Å; A549-Y551 WeakPolarHBondContact O-CD2 3.24Å; A549-R587 WeakPolarHBondContact O-CA 3.4Å; A549-Q588 PolarHBondContact O-N 3.35Å; A549-F814 HydrophobicContact CB-CE2 3.72Å; A549-F814 HydrophobicContact CB-CZ 3.8Å
550	T	97.9	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.8	-175.8	-53.7	0	0	0	0	111.8	P548 Q588 I628 I670 G675 R676	P548-T550 PolarHBondContact O-N 2.76Å; P548-T550 VanDerWaalsContact O-N 3.12Å; T550-Q588 WeakPolarHBondContact CA-O 3.48Å; T550-Q588 HydrophobicContact CG2-CB 3.94Å; T550-Q588 PolarHBondContact OG1-OE1 3.11Å; T550-I628 HydrophobicContact CG2-CG2 4.28Å; T550-I670 HydrophobicContact CG2-CB 4.24Å; T550-I670 HydrophobicContact CG2-CG2 3.92Å; T550-G675 CarbonylContact O-C 3.05Å; T550-G675 VanDerWaalsContact O-CA 3.23Å; T550-G675 WeakPolarHBondContact O-CA 3.44Å; T550-R676 PolarHBondContact O-N 3.49Å
551	Y	98.6	Very high	95.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.7	-175.5	-62	-78.5	0	0	0	111.2	A549 I581 P582 R587 Q588 I589 A590 R676 L812 F814	A549-Y551 HydrophobicContact CB-CE2 3.85Å; A549-Y551 WeakPolarHBondContact O-CD2 3.24Å; Y551-I581 HydrophobicContact CD1-CG2 4.47Å; Y551-I581 HydrophobicContact CD2-CG2 3.71Å; Y551-I581 HydrophobicContact CE1-CG2 4.16Å; Y551-I581 HydrophobicContact CE2-CG2 3.34Å; Y551-I581 HydrophobicContact CG-CG2 4.26Å; Y551-P582 WeakPolarHBondContact CE2-O 3.38Å; Y551-P582 PolarHBondContact OH-O 3.43Å; Y551-P582 VanDerWaalsContact OH-O 3.13Å; Y551-R587 HydrophobicContact CD2-CG 4.47Å; Y551-R587 HydrophobicContact CE2-CG 4.36Å; Y551-Q588 PolarHBondContact N-O 2.96Å; Y551-I589 CarbonylContact O-C 3.55Å; Y551-I589 VanDerWaalsContact O-CA 3.27Å; Y551-I589 WeakPolarHBondContact O-CA 3.27Å; Y551-A590 PolarHBondContact O-N 3.12Å; Y551-R676 HydrophobicContact CD1-CB 4.06Å; Y551-R676 HydrophobicContact CE1-CB 4.37Å; Y551-L812 HydrophobicContact CE1-CD2 4.08Å; Y551-F814 HydrophobicContact CE1-CZ 4.14Å; Y551-F814 HydrophobicContact CE2-CZ 4.42Å; Y551-F814 AromaticContact CZ-CZ 3.81Å
552	L	98.7	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.8	174.2	170.9	53.9	0	0	0	109.4	A590 M592 A666 L669 I670 R676 I677 T678	L552-A590 WeakPolarHBondContact CA-O 3.34Å; L552-A590 HydrophobicContact CB-CB 4.41Å; L552-A590 HydrophobicContact CD1-CB 3.8Å; L552-A590 WeakPolarHBondContact CD1-O 3.42Å; L552-M592 HydrophobicContact CD1-CB 4.43Å; L552-M592 HydrophobicContact CD1-CG 4Å; L552-M592 HydrophobicContact CD1-SD 3.95Å; L552-M592 HydrophobicContact CD2-SD 3.96Å; L552-M592 HydrophobicContact CG-SD 4.48Å; L552-A666 HydrophobicContact CD2-CB 3.49Å; L552-A666 VanDerWaalsContact CD2-CB 3.49Å; L552-A666 HydrophobicContact CG-CB 4.49Å; L552-L669 HydrophobicContact CD1-CD2 4.35Å; L552-L669 HydrophobicContact CD2-CD2 4.19Å; L552-I670 HydrophobicContact CB-CD1 4.21Å; L552-I670 HydrophobicContact CB-CG2 4.06Å; L552-I670 HydrophobicContact CD2-CG1 4.48Å; L552-I670 HydrophobicContact CD2-CG2 4.06Å; L552-R676 PolarHBondContact N-O 3.47Å; L552-I677 HydrophobicContact CD2-CG1 4.36Å; L552-I677 CarbonylContact O-C 3.49Å; L552-I677 WeakPolarHBondContact O-CA 3.31Å; L552-T678 PolarHBondContact O-N 2.69Å
553	F	98.8	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.9	175.1	-60.5	-96	0	0	0	109.6	F555 L574 I581 I589 A590 F591 M592 T678 F680 F804 L808	F553-F555 HydrophobicContact CB-CE2 3.77Å; F553-F555 HydrophobicContact CB-CZ 3.77Å; F553-F555 HydrophobicContact CG-CZ 4.48Å; F553-L574 HydrophobicContact CD1-CD2 3.93Å; F553-L574 HydrophobicContact CD2-CD2 4.02Å; F553-L574 HydrophobicContact CE1-CD1 4.04Å; F553-L574 HydrophobicContact CE1-CD2 4.02Å; F553-L574 HydrophobicContact CE2-CD1 4.11Å; F553-L574 HydrophobicContact CE2-CD2 4.1Å; F553-L574 HydrophobicContact CG-CD2 3.95Å; F553-L574 HydrophobicContact CZ-CD1 3.67Å; F553-L574 HydrophobicContact CZ-CD2 4.09Å; F553-I581 HydrophobicContact CZ-CD1 4.49Å; F553-I589 HydrophobicContact CD2-CD1 3.98Å; F553-I589 HydrophobicContact CD2-CG1 4Å; F553-I589 HydrophobicContact CE2-CD1 3.62Å; F553-I589 HydrophobicContact CE2-CG1 3.91Å; F553-A590 PolarHBondContact N-O 3.05Å; F553-A590 VanDerWaalsContact N-O 3.07Å; F553-F591 HydrophobicContact CB-CD1 4.02Å; F553-F591 HydrophobicContact CB-CE1 4.21Å; F553-F591 HydrophobicContact CD2-CD1 4.4Å; F553-F591 AromaticContact CD2-CE1 3.95Å; F553-F591 HydrophobicContact CD2-CE1 3.95Å; F553-F591 HydrophobicContact CG-CE1 4.34Å; F553-M592 PolarHBondContact O-N 2.98Å; F553-T678 WeakPolarHBondContact CA-O 3.48Å; F553-T678 HydrophobicContact CD1-CG2 4.05Å; F553-T678 HydrophobicContact CE1-CG2 4.21Å; F553-F680 HydrophobicContact CD1-CE2 4.04Å; F553-F680 HydrophobicContact CD1-CZ 4.35Å; F553-F804 HydrophobicContact CE1-CZ 4.38Å; F553-L808 HydrophobicContact CE1-CD2 3.76Å; F553-L808 HydrophobicContact CZ-CD2 3.75Å
554	C	98.8	Very high	96.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.9	-178.6	-59.4	0	0	0	0	109.3	M592 F594 T678 V679 F680	C554-M592 WeakPolarHBondContact CA-O 3.33Å; C554-F594 HydrophobicContact CB-CD1 4.42Å; C554-F594 HydrophobicContact CB-CE1 4.12Å; C554-T678 PolarHBondContact N-O 3.36Å; C554-V679 WeakPolarHBondContact O-CA 3.37Å; C554-F680 PolarHBondContact O-N 3.3Å
555	F	98.8	Very high	96.4	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.8	-175.8	-52.7	-84.8	0	0	0	112.8	F553 V557 Y566 L567 A570 L574 F591 M592 T593 F594 L645 F680	F553-F555 HydrophobicContact CB-CE2 3.77Å; F553-F555 HydrophobicContact CB-CZ 3.77Å; F553-F555 HydrophobicContact CG-CZ 4.48Å; F555-V557 HydrophobicContact CB-CG1 4.5Å; F555-V557 PolarHBondContact O-N 3.26Å; F555-Y566 WeakPolarHBondContact CB-OH 3.18Å; F555-Y566 HydrophobicContact CD1-CE2 4.28Å; F555-L567 HydrophobicContact CB-CD1 3.88Å; F555-L567 HydrophobicContact CD1-CD1 3.84Å; F555-L567 HydrophobicContact CD2-CD1 4.46Å; F555-L567 HydrophobicContact CE1-CD1 4.47Å; F555-L567 HydrophobicContact CG-CD1 3.83Å; F555-A570 HydrophobicContact CE1-CB 4.3Å; F555-L574 HydrophobicContact CZ-CD2 4.29Å; F555-F591 HydrophobicContact CE2-CD1 4.15Å; F555-M592 PolarHBondContact N-O 3.41Å; F555-T593 HydrophobicContact CB-CG2 4.16Å; F555-T593 HydrophobicContact CD2-CG2 4.34Å; F555-T593 CarbonylContact O-C 3.59Å; F555-T593 WeakPolarHBondContact O-CA 3.31Å; F555-T593 WeakPolarHBondContact O-CB 3.5Å; F555-F594 VanDerWaalsContact C-CE1 3.49Å; F555-F594 WeakPolarHBondContact O-CD1 3.2Å; F555-F594 PolarHBondContact O-N 3.08Å; F555-L645 HydrophobicContact CD2-CD2 4.21Å; F555-L645 HydrophobicContact CE2-CD2 4.19Å; F555-F680 HydrophobicContact CD1-CB 4.22Å; F555-F680 HydrophobicContact CD1-CD1 4.39Å; F555-F680 AromaticContact CD1-CD2 3.37Å; F555-F680 HydrophobicContact CD1-CD2 3.37Å; F555-F680 AromaticContact CD1-CE2 3.77Å; F555-F680 HydrophobicContact CD1-CE2 3.77Å; F555-F680 AromaticContact CD1-CG 3.76Å; F555-F680 HydrophobicContact CD1-CG 3.76Å; F555-F680 HydrophobicContact CD1-CZ 4.43Å; F555-F680 HydrophobicContact CE1-CD1 4.47Å; F555-F680 AromaticContact CE1-CD2 3.57Å; F555-F680 HydrophobicContact CE1-CD2 3.57Å; F555-F680 HydrophobicContact CE1-CE1 4.34Å; F555-F680 AromaticContact CE1-CE2 3.41Å; F555-F680 HydrophobicContact CE1-CE2 3.41Å; F555-F680 VanDerWaalsContact CE1-CE2 3.41Å; F555-F680 HydrophobicContact CE1-CG 4.14Å; F555-F680 AromaticContact CE1-CZ 3.84Å; F555-F680 HydrophobicContact CE1-CZ 3.84Å; F555-F680 HydrophobicContact CG-CD2 4.25Å; F555-F680 HydrophobicContact CZ-CE2 4.19Å
556	D	98.6	Very high	96.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124.3	162.7	174.4	7.5	0	0	0	109.6	S558 A561 Y566 F594 N657 F680 T682	D556-S558 VanDerWaalsContact OD1-CB 3.28Å; D556-S558 WeakPolarHBondContact OD1-CB 3.4Å; D556-S558 PolarHBondContact OD1-N 3.02Å; D556-S558 PolarHBondContact OD1-OG 2.75Å; D556-A561 HydrophobicContact CB-CB 4.07Å; D556-A561 VanDerWaalsContact O-CB 3.24Å; D556-A561 WeakPolarHBondContact O-CB 3.32Å; D556-A561 WeakPolarHBondContact OD1-CB 3.46Å; D556-Y566 PolarHBondContact N-OH 3Å; D556-Y566 PolarHBondContact O-OH 2.88Å; D556-F594 HydrophobicContact CB-CE1 4.46Å; D556-F594 HydrophobicContact CB-CE2 3.91Å; D556-F594 HydrophobicContact CB-CZ 3.81Å; D556-N657 PolarHBondContact OD2-ND2 3.1Å; D556-F680 WeakPolarHBondContact CB-O 3.46Å; D556-F680 PolarHBondContact N-O 3.1Å; D556-T682 WeakPolarHBondContact OD2-CB 3.25Å; D556-T682 PolarHBondContact OD2-N 3.27Å; D556-T682 PolarHBondContact OD2-OG1 3.18Å
557	V	98.2	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.			trans	-125.1	24.7	179.6	-62.5	0	0	0	0	112.1	F555 I562 L567 T593 F594 N595 F649	F555-V557 HydrophobicContact CB-CG1 4.5Å; F555-V557 PolarHBondContact O-N 3.26Å; V557-I562 HydrophobicContact CB-CD1 4.33Å; V557-I562 HydrophobicContact CG1-CD1 4.45Å; V557-L567 HydrophobicContact CG1-CD2 4.06Å; V557-T593 HydrophobicContact CG1-CG2 3.78Å; V557-F594 WeakPolarHBondContact CG2-O 3.48Å; V557-F594 PolarHBondContact N-O 2.72Å; V557-N595 HydrophobicContact CG2-CB 4.2Å; V557-F649 HydrophobicContact CB-CD1 3.88Å; V557-F649 HydrophobicContact CB-CD2 4.11Å; V557-F649 HydrophobicContact CB-CE1 4.03Å; V557-F649 HydrophobicContact CB-CE2 4.24Å; V557-F649 HydrophobicContact CB-CG 3.92Å; V557-F649 HydrophobicContact CB-CZ 4.21Å; V557-F649 HydrophobicContact CG1-CD1 4.49Å; V557-F649 HydrophobicContact CG1-CD2 3.84Å; V557-F649 HydrophobicContact CG1-CE2 3.85Å; V557-F649 HydrophobicContact CG1-CG 4.17Å; V557-F649 HydrophobicContact CG1-CZ 4.19Å; V557-F649 HydrophobicContact CG2-CD1 3.92Å; V557-F649 HydrophobicContact CG2-CE1 3.61Å; V557-F649 HydrophobicContact CG2-CE2 4.35Å; V557-F649 HydrophobicContact CG2-CG 4.42Å; V557-F649 HydrophobicContact CG2-CZ 3.84Å
558	S	97.4	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-63	161.2	165.9	66.3	0	0	0	0	111.6	D556 N560 A561 I562 D654	D556-S558 VanDerWaalsContact OD1-CB 3.28Å; D556-S558 WeakPolarHBondContact OD1-CB 3.4Å; D556-S558 PolarHBondContact OD1-N 3.02Å; D556-S558 PolarHBondContact OD1-OG 2.75Å; S558-N560 PolarHBondContact O-N 3.23Å; S558-A561 WeakPolarHBondContact O-CA 3.19Å; S558-A561 VanDerWaalsContact O-CB 3.25Å; S558-A561 WeakPolarHBondContact O-CB 3.31Å; S558-A561 PolarHBondContact O-N 3.41Å; S558-I562 PolarHBondContact O-N 3.19Å; S558-D654 CarbonylContact C-O 3.56Å; S558-D654 WeakPolarHBondContact CA-O 3.29Å
559	H	96.7	Very high	97	Very high	84 Å²	84	17 Å²	17	39%	0.389	10%	0.096	S	C	.	.	H	α-helix	trans	-50	-43.4	175.4	169.4	-81.6	0	0	0	112.1	A561 A563 T652 D654 T655	H559-A561 VanDerWaalsContact C-N 3.29Å; H559-A561 PolarHBondContact O-N 2.91Å; H559-A563 VanDerWaalsContact O-CB 3.23Å; H559-A563 WeakPolarHBondContact O-CB 3.28Å; H559-A563 PolarHBondContact O-N 3.22Å; H559-T652 PolarHBondContact CD2-O 3.46Å; H559-D654 WeakPolarHBondContact CB-O 3.35Å; H559-D654 PolarHBondContact N-O 3.42Å; H559-T655 HydrophobicContact CB-CG2 4.43Å
560	N	94.3	Very high	96.9	Very high	50 Å²	50	16.9 Å²	16.9	27%	0.267	10%	0.095	S	C	.	.	H	α-helix	trans	-60.8	-40.7	176.7	-67.9	-30.7	0	0	0	111.5	S558 A563 T564 C683	S558-N560 PolarHBondContact O-N 3.23Å; N560-A563 PolarHBondContact O-N 3.4Å; N560-T564 WeakPolarHBondContact O-CG2 3.42Å; N560-T564 PolarHBondContact O-N 3.41Å; N560-C683 HydrophobicContact CB-CB 4.31Å
561	A	97	Very high	97	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.8	-50.5	-178.5	0	0	0	0	0	111.8	D556 S558 H559 A563 T564 Y566 T682	D556-A561 HydrophobicContact CB-CB 4.07Å; D556-A561 VanDerWaalsContact O-CB 3.24Å; D556-A561 WeakPolarHBondContact O-CB 3.32Å; D556-A561 WeakPolarHBondContact OD1-CB 3.46Å; S558-A561 WeakPolarHBondContact O-CA 3.19Å; S558-A561 VanDerWaalsContact O-CB 3.25Å; S558-A561 WeakPolarHBondContact O-CB 3.31Å; S558-A561 PolarHBondContact O-N 3.41Å; H559-A561 VanDerWaalsContact C-N 3.29Å; H559-A561 PolarHBondContact O-N 2.91Å; A561-A563 VanDerWaalsContact C-N 3.31Å; A561-A563 PolarHBondContact O-N 2.98Å; A561-T564 PolarHBondContact O-N 3.46Å; A561-T564 PolarHBondContact O-OG1 3.17Å; A561-Y566 HydrophobicContact CB-CE1 3.9Å; A561-Y566 WeakPolarHBondContact O-CD1 3.48Å; A561-T682 WeakPolarHBondContact CA-OG1 3.23Å; A561-T682 HydrophobicContact CB-CG2 3.72Å; A561-T682 VanDerWaalsContact CB-OG1 3.28Å; A561-T682 WeakPolarHBondContact CB-OG1 3.4Å; A561-T682 PolarHBondContact N-OG1 3.32Å
562	I	96.7	Very high	96.9	Very high	41 Å²	41	21.1 Å²	21.1	21%	0.21	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-39	177.6	-56.9	-53.5	0	0	0	111.1	V557 S558 T564 G565 L567 F649 T652	V557-I562 HydrophobicContact CB-CD1 4.33Å; V557-I562 HydrophobicContact CG1-CD1 4.45Å; S558-I562 PolarHBondContact O-N 3.19Å; I562-T564 PolarHBondContact O-N 3.33Å; I562-G565 PolarHBondContact O-N 3.34Å; I562-L567 HydrophobicContact CD1-CD2 3.56Å; I562-F649 HydrophobicContact CD1-CB 3.66Å; I562-F649 HydrophobicContact CD1-CG 4.47Å; I562-F649 HydrophobicContact CG1-CB 3.94Å; I562-T652 HydrophobicContact CB-CG2 4.24Å; I562-T652 HydrophobicContact CG1-CG2 3.66Å
563	A	94.3	Very high	96.7	Very high	57 Å²	57	23.5 Å²	23.5	47%	0.471	12%	0.123	S	C	.	.	H	α-helix	trans	-63.2	-20.1	179	0	0	0	0	0	114.8	H559 N560 A561 Y763	H559-A563 VanDerWaalsContact O-CB 3.23Å; H559-A563 WeakPolarHBondContact O-CB 3.28Å; H559-A563 PolarHBondContact O-N 3.22Å; N560-A563 PolarHBondContact O-N 3.4Å; A561-A563 VanDerWaalsContact C-N 3.31Å; A561-A563 PolarHBondContact O-N 2.98Å; A563-Y763 WeakPolarHBondContact O-CE2 3.44Å
564	T	94.8	Very high	96.7	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.055	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.6	173	68.6	0	0	0	0	113.9	N560 A561 I562 Y566 Y763 Y764	N560-T564 WeakPolarHBondContact O-CG2 3.42Å; N560-T564 PolarHBondContact O-N 3.41Å; A561-T564 PolarHBondContact O-N 3.46Å; A561-T564 PolarHBondContact O-OG1 3.17Å; I562-T564 PolarHBondContact O-N 3.33Å; T564-Y566 PolarHBondContact O-N 3.34Å; T564-Y566 WeakPolarHBondContact OG1-CD1 3.31Å; T564-Y566 PolarHBondContact OG1-N 3.25Å; T564-Y763 CarbonylContact O-C 3.55Å; T564-Y763 WeakPolarHBondContact O-CA 3.31Å; T564-Y764 PolarHBondContact O-N 2.92Å
565	G	94.4	Very high	96.6	Very high	14 Å²	14	25.4 Å²	25.4	14%	0.144	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-0.7	-172.2	0	0	0	0	0	115.5	I562 L567 Q568 Y764	I562-G565 PolarHBondContact O-N 3.34Å; G565-L567 VanDerWaalsContact C-N 3.26Å; G565-L567 PolarHBondContact O-N 3.18Å; G565-Q568 PolarHBondContact O-N 2.82Å; G565-Y764 WeakPolarHBondContact O-CD1 3.34Å
566	Y	96.3	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.9	-38.7	-173.5	94.7	-81.1	0	0	0	112.8	F555 D556 A561 T564 Q568 L569 A570 F680 T682 F735	F555-Y566 WeakPolarHBondContact CB-OH 3.18Å; F555-Y566 HydrophobicContact CD1-CE2 4.28Å; D556-Y566 PolarHBondContact N-OH 3Å; D556-Y566 PolarHBondContact O-OH 2.88Å; A561-Y566 HydrophobicContact CB-CE1 3.9Å; A561-Y566 WeakPolarHBondContact O-CD1 3.48Å; T564-Y566 PolarHBondContact O-N 3.34Å; T564-Y566 WeakPolarHBondContact OG1-CD1 3.31Å; T564-Y566 PolarHBondContact OG1-N 3.25Å; Y566-Q568 VanDerWaalsContact C-N 3.32Å; Y566-Q568 PolarHBondContact O-N 2.7Å; Y566-L569 PolarHBondContact O-N 3.22Å; Y566-A570 HydrophobicContact CD2-CB 4.32Å; Y566-A570 VanDerWaalsContact O-CB 3.32Å; Y566-A570 WeakPolarHBondContact O-CB 3.15Å; Y566-A570 PolarHBondContact O-N 2.76Å; Y566-F680 HydrophobicContact CD2-CB 4.3Å; Y566-F680 HydrophobicContact CD2-CD1 4.02Å; Y566-F680 HydrophobicContact CE2-CB 3.35Å; Y566-F680 AromaticContact CE2-CD1 3.65Å; Y566-F680 HydrophobicContact CE2-CD1 3.65Å; Y566-F680 AromaticContact CE2-CG 3.73Å; Y566-F680 HydrophobicContact CE2-CG 3.73Å; Y566-T682 HydrophobicContact CD1-CG2 3.94Å; Y566-T682 HydrophobicContact CE1-CG2 3.93Å; Y566-F735 AromaticContact CD2-CD2 3.91Å; Y566-F735 HydrophobicContact CD2-CD2 3.91Å; Y566-F735 AromaticContact CD2-CE2 3.65Å; Y566-F735 HydrophobicContact CD2-CE2 3.65Å; Y566-F735 HydrophobicContact CD2-CG 4.46Å; Y566-F735 AromaticContact CD2-CZ 3.96Å; Y566-F735 HydrophobicContact CD2-CZ 3.96Å; Y566-F735 HydrophobicContact CE2-CD2 4.48Å; Y566-F735 HydrophobicContact CE2-CE2 4.17Å; Y566-F735 HydrophobicContact CG-CD2 4.02Å; Y566-F735 HydrophobicContact CG-CE2 4.21Å; Y566-F735 HydrophobicContact CG-CG 4.2Å
567	L	97.6	Very high	96.5	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-42.5	-175.3	179.7	65.6	0	0	0	111.5	F555 V557 I562 G565 A570 C571 P646 F649	F555-L567 HydrophobicContact CB-CD1 3.88Å; F555-L567 HydrophobicContact CD1-CD1 3.84Å; F555-L567 HydrophobicContact CD2-CD1 4.46Å; F555-L567 HydrophobicContact CE1-CD1 4.47Å; F555-L567 HydrophobicContact CG-CD1 3.83Å; V557-L567 HydrophobicContact CG1-CD2 4.06Å; I562-L567 HydrophobicContact CD1-CD2 3.56Å; G565-L567 VanDerWaalsContact C-N 3.26Å; G565-L567 PolarHBondContact O-N 3.18Å; L567-A570 PolarHBondContact O-N 3.41Å; L567-C571 WeakPolarHBondContact O-CB 3.34Å; L567-C571 PolarHBondContact O-N 3.33Å; L567-C571 PolarHBondContact O-SG 3.3Å; L567-P646 HydrophobicContact CD2-CB 4.31Å; L567-P646 HydrophobicContact CG-CB 4.43Å; L567-P646 HydrophobicContact CG-CG 4.36Å; L567-F649 HydrophobicContact CD2-CD2 4.41Å
568	Q	95.5	Very high	96.4	Very high	90 Å²	90	28 Å²	28	42%	0.421	15%	0.153	S	C	.	.	H	α-helix	trans	-66.4	-42.5	-178.9	-167.1	175.8	18.1	0	0	111.2	G565 Y566 K572 P646	G565-Q568 PolarHBondContact O-N 2.82Å; Y566-Q568 VanDerWaalsContact C-N 3.32Å; Y566-Q568 PolarHBondContact O-N 2.7Å; Q568-K572 WeakPolarHBondContact O-CB 3.41Å; Q568-K572 PolarHBondContact O-N 2.84Å; Q568-P646 HydrophobicContact CB-CB 4.31Å; Q568-P646 HydrophobicContact CB-CG 4.28Å; Q568-P646 HydrophobicContact CG-CB 4.49Å; Q568-P646 HydrophobicContact CG-CG 4.36Å
569	L	95.2	Very high	96.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-43.8	174.6	-178.8	57.5	0	0	0	111.8	Y566 C571 K572 R573 F762 Y764 V797 F800	Y566-L569 PolarHBondContact O-N 3.22Å; L569-C571 PolarHBondContact O-N 3.48Å; L569-K572 PolarHBondContact O-N 3.18Å; L569-R573 HydrophobicContact CD1-CG 4.02Å; L569-R573 HydrophobicContact CG-CG 4.42Å; L569-R573 WeakPolarHBondContact O-CG 3.48Å; L569-R573 PolarHBondContact O-N 3.21Å; L569-F762 HydrophobicContact CD2-CZ 4.3Å; L569-Y764 HydrophobicContact CB-CD1 3.93Å; L569-Y764 HydrophobicContact CB-CD2 4.41Å; L569-Y764 HydrophobicContact CB-CE1 3.88Å; L569-Y764 HydrophobicContact CB-CE2 4.37Å; L569-Y764 HydrophobicContact CB-CG 4.18Å; L569-Y764 HydrophobicContact CD1-CE2 4.19Å; L569-Y764 HydrophobicContact CD2-CD2 3.94Å; L569-Y764 HydrophobicContact CD2-CE2 4.14Å; L569-Y764 HydrophobicContact CD2-CG 4.29Å; L569-Y764 HydrophobicContact CG-CE2 4.47Å; L569-V797 HydrophobicContact CD2-CG1 3.86Å; L569-F800 HydrophobicContact CB-CE1 4.49Å; L569-F800 HydrophobicContact CD2-CD1 3.83Å; L569-F800 HydrophobicContact CD2-CE1 4.09Å; L569-F800 HydrophobicContact CG-CD1 4.3Å; L569-F800 HydrophobicContact CG-CE1 4.06Å
570	A	97.6	Very high	96.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-46.7	178.6	0	0	0	0	0	111.4	F555 Y566 L567 R573 L574 F680 F800	F555-A570 HydrophobicContact CE1-CB 4.3Å; Y566-A570 HydrophobicContact CD2-CB 4.32Å; Y566-A570 VanDerWaalsContact O-CB 3.32Å; Y566-A570 WeakPolarHBondContact O-CB 3.15Å; Y566-A570 PolarHBondContact O-N 2.76Å; L567-A570 PolarHBondContact O-N 3.41Å; A570-R573 PolarHBondContact O-N 3.19Å; A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.17Å; A570-L574 PolarHBondContact O-N 3.27Å; A570-F680 HydrophobicContact CB-CD1 4.47Å; A570-F680 HydrophobicContact CB-CE1 4.1Å; A570-F800 HydrophobicContact CB-CE1 4.42Å; A570-F800 HydrophobicContact CB-CZ 4.04Å
571	C	98.1	Very high	96.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-45.4	176.2	-62.6	0	0	0	0	111.9	L567 L569 R573 L574 E575 L642 P646	L567-C571 WeakPolarHBondContact O-CB 3.34Å; L567-C571 PolarHBondContact O-N 3.33Å; L567-C571 PolarHBondContact O-SG 3.3Å; L569-C571 PolarHBondContact O-N 3.48Å; C571-R573 VanDerWaalsContact C-N 3.27Å; C571-R573 PolarHBondContact O-N 3.1Å; C571-L574 PolarHBondContact O-N 2.92Å; C571-L574 VanDerWaalsContact O-N 3.13Å; C571-E575 VanDerWaalsContact O-CB 3.32Å; C571-E575 WeakPolarHBondContact O-CB 3.46Å; C571-E575 PolarHBondContact O-N 3.38Å; C571-L642 HydrophobicContact CB-CB 4.42Å; C571-L642 HydrophobicContact CB-CD2 4.28Å; C571-L642 WeakPolarHBondContact CB-O 3.36Å; C571-P646 HydrophobicContact CB-CG 4.36Å
572	K	96.4	Very high	96.4	Very high	91 Å²	91	35 Å²	35	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-60.4	-29.9	175.8	-175.9	-178.3	-176.3	-177.8	0	113.5	Q568 L569 A576 D769	Q568-K572 WeakPolarHBondContact O-CB 3.41Å; Q568-K572 PolarHBondContact O-N 2.84Å; L569-K572 PolarHBondContact O-N 3.18Å; K572-A576 WeakPolarHBondContact O-CB 3.42Å; K572-D769 IonicContact NZ-OD2 3.21Å; K572-D769 PolarHBondContact NZ-OD2 3.38Å
573	R	96.3	Very high	96.4	Very high	49 Å²	49	34.2 Å²	34.2	19%	0.185	18%	0.184	C	C	.	.	H	α-helix	trans	-81.5	-37.2	172.3	-65.1	-41.1	-63.3	143.3	-6.9	112.7	L569 A570 C571 L577 R801 F804 D805	L569-R573 HydrophobicContact CD1-CG 4.02Å; L569-R573 HydrophobicContact CG-CG 4.42Å; L569-R573 WeakPolarHBondContact O-CG 3.48Å; L569-R573 PolarHBondContact O-N 3.21Å; A570-R573 PolarHBondContact O-N 3.19Å; C571-R573 VanDerWaalsContact C-N 3.27Å; C571-R573 PolarHBondContact O-N 3.1Å; R573-L577 WeakPolarHBondContact O-CB 3.42Å; R573-L577 WeakPolarHBondContact O-CG 3.35Å; R573-L577 PolarHBondContact O-N 3.3Å; R573-R801 HydrophobicContact CG-CG 4.35Å; R573-F804 HydrophobicContact CB-CD1 3.74Å; R573-F804 HydrophobicContact CB-CE1 4.02Å; R573-F804 HydrophobicContact CG-CD1 4.43Å; R573-D805 IonicContact CZ-OD1 3.63Å; R573-D805 VanDerWaalsContact CZ-OD1 3.27Å; R573-D805 IonicContact CZ-OD2 3.01Å; R573-D805 IonicContact NE-OD1 3.68Å; R573-D805 PolarHBondContact NE-OD1 3.39Å; R573-D805 IonicContact NE-OD2 3.37Å; R573-D805 IonicContact NH2-OD1 2.73Å; R573-D805 PolarHBondContact NH2-OD1 3.08Å; R573-D805 IonicContact NH2-OD2 3.45Å; R573-D805 PolarHBondContact NH2-OD2 2.87Å
574	L	97.9	Very high	96.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.5	-42.1	-179.2	-176.8	54.7	0	0	0	112.1	F553 F555 A570 C571 L577 I578 I581 F591 L642 F804 L808	F553-L574 HydrophobicContact CD1-CD2 3.93Å; F553-L574 HydrophobicContact CD2-CD2 4.02Å; F553-L574 HydrophobicContact CE1-CD1 4.04Å; F553-L574 HydrophobicContact CE1-CD2 4.02Å; F553-L574 HydrophobicContact CE2-CD1 4.11Å; F553-L574 HydrophobicContact CE2-CD2 4.1Å; F553-L574 HydrophobicContact CG-CD2 3.95Å; F553-L574 HydrophobicContact CZ-CD1 3.67Å; F553-L574 HydrophobicContact CZ-CD2 4.09Å; F555-L574 HydrophobicContact CZ-CD2 4.29Å; A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.17Å; A570-L574 PolarHBondContact O-N 3.27Å; C571-L574 PolarHBondContact O-N 2.92Å; C571-L574 VanDerWaalsContact O-N 3.13Å; L574-L577 CarbonylContact O-C 3.53Å; L574-L577 PolarHBondContact O-N 3.3Å; L574-I578 WeakPolarHBondContact O-CA 3.5Å; L574-I578 WeakPolarHBondContact O-CB 3.3Å; L574-I578 PolarHBondContact O-N 3.08Å; L574-I581 HydrophobicContact CD1-CD1 3.83Å; L574-F591 HydrophobicContact CD2-CE1 3.83Å; L574-F591 HydrophobicContact CD2-CZ 4.36Å; L574-L642 HydrophobicContact CB-CD1 4.26Å; L574-L642 HydrophobicContact CD2-CD1 4.24Å; L574-L642 HydrophobicContact CD2-CD2 4.01Å; L574-L642 HydrophobicContact CG-CD1 3.88Å; L574-L642 HydrophobicContact CG-CD2 4.44Å; L574-F804 HydrophobicContact CB-CE1 4.31Å; L574-L808 HydrophobicContact CB-CD1 4.44Å; L574-L808 HydrophobicContact CD1-CD1 3.83Å; L574-L808 HydrophobicContact CD1-CD2 3.71Å; L574-L808 HydrophobicContact CD1-CG 4.45Å
575	E	97.5	Very high	96.4	Very high	43 Å²	43	36.7 Å²	36.7	20%	0.201	20%	0.195	C	C	.	.	H	α-helix	trans	-53.8	-61.4	172.1	-177.6	-69.5	123.5	0	0	110.2	C571 L577 I578 R639 L642 L643	C571-E575 VanDerWaalsContact O-CB 3.32Å; C571-E575 WeakPolarHBondContact O-CB 3.46Å; C571-E575 PolarHBondContact O-N 3.38Å; E575-L577 PolarHBondContact O-N 3.04Å; E575-I578 WeakPolarHBondContact O-CG2 3.25Å; E575-I578 PolarHBondContact O-N 2.93Å; E575-I578 VanDerWaalsContact O-N 3.13Å; E575-R639 HydrophobicContact CG-CB 3.92Å; E575-R639 HydrophobicContact CG-CG 3.95Å; E575-R639 VanDerWaalsContact OE1-CD 3.27Å; E575-R639 WeakPolarHBondContact OE1-CD 3.17Å; E575-R639 WeakPolarHBondContact OE1-CG 3.32Å; E575-R639 IonicContact OE1-NE 3.25Å; E575-L642 HydrophobicContact CB-CB 4.2Å; E575-L642 HydrophobicContact CB-CD1 4.27Å; E575-L643 HydrophobicContact CG-CD2 4.14Å; E575-L643 HydrophobicContact CG-CG 4.18Å
576	A	96.7	Very high	96.5	Very high	49 Å²	49	40.2 Å²	40.2	41%	0.405	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.7	-175.6	0	0	0	0	0	115.1	K572	K572-A576 WeakPolarHBondContact O-CB 3.42Å
577	L	97.1	Very high	96.5	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	4.5	178.8	-65.6	177.1	0	0	0	113.7	R573 L574 E575 D579 R580 I581 D805 L808 T809	R573-L577 WeakPolarHBondContact O-CB 3.42Å; R573-L577 WeakPolarHBondContact O-CG 3.35Å; R573-L577 PolarHBondContact O-N 3.3Å; L574-L577 CarbonylContact O-C 3.53Å; L574-L577 PolarHBondContact O-N 3.3Å; E575-L577 PolarHBondContact O-N 3.04Å; L577-D579 VanDerWaalsContact C-N 3.3Å; L577-D579 PolarHBondContact O-N 2.99Å; L577-R580 WeakPolarHBondContact O-CA 3.31Å; L577-R580 WeakPolarHBondContact O-CB 3.4Å; L577-R580 PolarHBondContact O-N 2.91Å; L577-I581 PolarHBondContact O-N 3Å; L577-D805 HydrophobicContact CD1-CB 4.11Å; L577-D805 WeakPolarHBondContact CD1-OD1 3.13Å; L577-L808 HydrophobicContact CB-CD1 4.12Å; L577-L808 HydrophobicContact CD1-CD1 4.13Å; L577-T809 HydrophobicContact CD1-CG2 4.47Å; L577-T809 HydrophobicContact CD2-CG2 4.34Å
578	I	96.7	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.8	-40.6	-171.5	-161.3	171.2	0	0	0	112.6	L574 E575 R580 I581 R587 I589 V631 L638 R639 L642	L574-I578 WeakPolarHBondContact O-CA 3.5Å; L574-I578 WeakPolarHBondContact O-CB 3.3Å; L574-I578 PolarHBondContact O-N 3.08Å; E575-I578 WeakPolarHBondContact O-CG2 3.25Å; E575-I578 PolarHBondContact O-N 2.93Å; E575-I578 VanDerWaalsContact O-N 3.13Å; I578-R580 PolarHBondContact O-N 3.38Å; I578-I581 HydrophobicContact CG1-CD1 4.44Å; I578-I581 PolarHBondContact O-N 3.34Å; I578-R587 PolarHBondContact O-NH1 2.8Å; I578-I589 HydrophobicContact CD1-CD1 4.3Å; I578-I589 HydrophobicContact CG1-CD1 4.46Å; I578-V631 HydrophobicContact CD1-CG1 4.44Å; I578-V631 HydrophobicContact CG1-CG1 4.03Å; I578-L638 HydrophobicContact CD1-CB 3.8Å; I578-L638 HydrophobicContact CD1-CD1 4.14Å; I578-R639 HydrophobicContact CG2-CG 4.21Å; I578-L642 HydrophobicContact CD1-CD1 4.49Å
579	D	95.3	Very high	96.6	Very high	95 Å²	95	38.9 Å²	38.9	51%	0.508	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-66.6	-24.1	176.9	-48.1	-62.6	0	0	0	113	L577 R587 R639	L577-D579 VanDerWaalsContact C-N 3.3Å; L577-D579 PolarHBondContact O-N 2.99Å; D579-R587 PolarHBondContact O-NH1 3.19Å; D579-R639 IonicContact OD1-CZ 2.76Å; D579-R639 IonicContact OD1-NH2 3.67Å; D579-R639 PolarHBondContact OD1-NH2 3.07Å; D579-R639 IonicContact OD2-CZ 2.62Å; D579-R639 IonicContact OD2-NH2 2.78Å; D579-R639 PolarHBondContact OD2-NH2 2.79Å
580	R	96.4	Very high	96.7	Very high	162 Å²	162	38.9 Å²	38.9	61%	0.611	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-93.7	-2.1	-172.1	-57.6	-173.9	65.3	-151.7	-2.7	113.5	L577 I578 T809	L577-R580 WeakPolarHBondContact O-CA 3.31Å; L577-R580 WeakPolarHBondContact O-CB 3.4Å; L577-R580 PolarHBondContact O-N 2.91Å; I578-R580 PolarHBondContact O-N 3.38Å; R580-T809 HydrophobicContact CB-CG2 3.88Å
581	I	97.4	Very high	96.7	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-64.8	133.7	170.6	-60.5	174.8	0	0	0	109.1	Y551 F553 L574 L577 I578 G583 R587 L808	Y551-I581 HydrophobicContact CD1-CG2 4.47Å; Y551-I581 HydrophobicContact CD2-CG2 3.71Å; Y551-I581 HydrophobicContact CE1-CG2 4.16Å; Y551-I581 HydrophobicContact CE2-CG2 3.34Å; Y551-I581 HydrophobicContact CG-CG2 4.26Å; F553-I581 HydrophobicContact CZ-CD1 4.49Å; L574-I581 HydrophobicContact CD1-CD1 3.83Å; L577-I581 PolarHBondContact O-N 3Å; I578-I581 HydrophobicContact CG1-CD1 4.44Å; I578-I581 PolarHBondContact O-N 3.34Å; I581-G583 PolarHBondContact O-N 2.97Å; I581-R587 PolarHBondContact O-NH1 3.46Å; I581-L808 WeakPolarHBondContact CA-O 3.37Å; I581-L808 HydrophobicContact CD1-CD2 4.43Å; I581-L808 HydrophobicContact CG1-CB 4.48Å
582	P	97.1	Very high	96.8	Very high	18 Å²	18	39 Å²	39	12%	0.117	20%	0.197	C	C	.	.	S	Bend	trans	-55.6	134.5	-178.7	-22.6	27.9	0	0	0	113.6	Y551 L808 R810 S881	Y551-P582 WeakPolarHBondContact CE2-O 3.38Å; Y551-P582 PolarHBondContact OH-O 3.43Å; Y551-P582 VanDerWaalsContact OH-O 3.13Å; P582-L808 WeakPolarHBondContact CD-O 3.25Å; P582-R810 WeakPolarHBondContact CG-O 3.46Å; P582-S881 WeakPolarHBondContact CB-OG 3.44Å
583	G	95.7	Very high	96.9	Very high	26 Å²	26	34.8 Å²	34.8	27%	0.268	18%	0.179	S	C	.	.			trans	-174.7	168.1	179.3	0	0	0	0	0	114.6	I581 S881	I581-G583 PolarHBondContact O-N 2.97Å; G583-S881 CarbonylContact C-O 3.54Å; G583-S881 WeakPolarHBondContact CA-O 3.41Å
584	D	94.4	Very high	97	Very high	33 Å²	33	32.5 Å²	32.5	18%	0.176	17%	0.17	C	C	.	.			trans	-98.8	-171.6	151.3	57.6	22.2	0	0	0	109	R586 R587 S881	D584-R586 PolarHBondContact O-N 3.06Å; D584-R586 VanDerWaalsContact O-N 3.08Å; D584-R586 WeakPolarHBondContact OD1-CA 3.4Å; D584-R586 WeakPolarHBondContact OD1-CB 3.35Å; D584-R586 PolarHBondContact OD1-N 3.02Å; D584-R586 IonicContact OD1-NE 3.4Å; D584-R586 IonicContact OD2-CZ 3.72Å; D584-R586 VanDerWaalsContact OD2-CZ 3.23Å; D584-R586 IonicContact OD2-NE 3.68Å; D584-R586 PolarHBondContact OD2-NE 2.92Å; D584-R586 IonicContact OD2-NH2 3.8Å; D584-R586 PolarHBondContact OD2-NH2 3Å; D584-R587 VanDerWaalsContact O-CB 3.27Å; D584-R587 WeakPolarHBondContact O-CB 3.44Å; D584-R587 PolarHBondContact O-N 3.38Å; D584-R587 VanDerWaalsContact O-N 3.14Å; D584-S881 PolarHBondContact N-O 3.35Å
585	C	94.7	Very high	96.9	Very high	84 Å²	84	33.1 Å²	33.1	57%	0.568	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	1.4	175.6	64.4	0	0	0	0	115.2	R630	C585-R630 VanDerWaalsContact O-CZ 3.31Å; C585-R630 PolarHBondContact O-NE 3.08Å; C585-R630 PolarHBondContact O-NH2 2.83Å
586	R	96	Very high	96.9	Very high	88 Å²	88	33.3 Å²	33.3	33%	0.332	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.1	173.6	-46.8	174.3	-64.8	140.7	8.9	111.6	P546 Q547 P548 D584 Q588	P546-R586 PolarHBondContact O-NH1 3.1Å; Q547-R586 PolarHBondContact O-NH2 2.82Å; Q547-R586 VanDerWaalsContact O-NH2 3.13Å; P548-R586 HydrophobicContact CB-CB 3.81Å; P548-R586 VanDerWaalsContact CB-O 3.28Å; P548-R586 WeakPolarHBondContact CB-O 3.22Å; D584-R586 PolarHBondContact O-N 3.06Å; D584-R586 VanDerWaalsContact O-N 3.08Å; D584-R586 WeakPolarHBondContact OD1-CA 3.4Å; D584-R586 WeakPolarHBondContact OD1-CB 3.35Å; D584-R586 PolarHBondContact OD1-N 3.02Å; D584-R586 IonicContact OD1-NE 3.4Å; D584-R586 IonicContact OD2-CZ 3.72Å; D584-R586 VanDerWaalsContact OD2-CZ 3.23Å; D584-R586 IonicContact OD2-NE 3.68Å; D584-R586 PolarHBondContact OD2-NE 2.92Å; D584-R586 IonicContact OD2-NH2 3.8Å; D584-R586 PolarHBondContact OD2-NH2 3Å; R586-Q588 PolarHBondContact O-N 3.22Å
587	R	97	Very high	96.9	Very high	22 Å²	22	32 Å²	32	8%	0.083	17%	0.167	C	C	.	.			trans	-54.8	129	-179	176.5	179.1	52	171.2	3.9	111	A549 Y551 I578 D579 I581 D584 R630 V631 E632	A549-R587 WeakPolarHBondContact O-CA 3.4Å; Y551-R587 HydrophobicContact CD2-CG 4.47Å; Y551-R587 HydrophobicContact CE2-CG 4.36Å; I578-R587 PolarHBondContact O-NH1 2.8Å; D579-R587 PolarHBondContact O-NH1 3.19Å; I581-R587 PolarHBondContact O-NH1 3.46Å; D584-R587 VanDerWaalsContact O-CB 3.27Å; D584-R587 WeakPolarHBondContact O-CB 3.44Å; D584-R587 PolarHBondContact O-N 3.38Å; D584-R587 VanDerWaalsContact O-N 3.14Å; R587-R630 WeakPolarHBondContact O-CA 3.14Å; R587-V631 HydrophobicContact CG-CB 4.42Å; R587-V631 HydrophobicContact CG-CG2 3.92Å; R587-V631 PolarHBondContact O-N 2.92Å; R587-E632 IonicContact CZ-OE1 2.75Å; R587-E632 IonicContact NE-OE1 3.15Å; R587-E632 PolarHBondContact NE-OE1 3.49Å; R587-E632 IonicContact NH2-OE1 2.8Å; R587-E632 PolarHBondContact NH2-OE1 3.22Å
588	Q	97	Very high	97	Very high	43 Å²	43	31.7 Å²	31.7	20%	0.201	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.5	-174.2	-81.1	170.5	-16.6	0	0	111.2	A549 T550 Y551 R586 I628 N629 R630	A549-Q588 PolarHBondContact O-N 3.35Å; T550-Q588 WeakPolarHBondContact CA-O 3.48Å; T550-Q588 HydrophobicContact CG2-CB 3.94Å; T550-Q588 PolarHBondContact OG1-OE1 3.11Å; Y551-Q588 PolarHBondContact N-O 2.96Å; R586-Q588 PolarHBondContact O-N 3.22Å; Q588-I628 HydrophobicContact CB-CG2 3.7Å; Q588-I628 HydrophobicContact CG-CG2 3.81Å; Q588-N629 CarbonylContact C-O 3.55Å; Q588-N629 VanDerWaalsContact CA-O 3.32Å; Q588-N629 WeakPolarHBondContact CA-O 3.02Å; Q588-R630 HydrophobicContact CG-CG 4.22Å
589	I	97.8	Very high	97	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.3	172.6	-164.8	165.6	0	0	0	110.7	Y551 F553 I578 F591 N629 V631 L638	Y551-I589 CarbonylContact O-C 3.55Å; Y551-I589 VanDerWaalsContact O-CA 3.27Å; Y551-I589 WeakPolarHBondContact O-CA 3.27Å; F553-I589 HydrophobicContact CD2-CD1 3.98Å; F553-I589 HydrophobicContact CD2-CG1 4Å; F553-I589 HydrophobicContact CE2-CD1 3.62Å; F553-I589 HydrophobicContact CE2-CG1 3.91Å; I578-I589 HydrophobicContact CD1-CD1 4.3Å; I578-I589 HydrophobicContact CG1-CD1 4.46Å; I589-F591 HydrophobicContact CD1-CE1 3.95Å; I589-F591 HydrophobicContact CD1-CE2 4.26Å; I589-F591 HydrophobicContact CD1-CZ 3.5Å; I589-F591 VanDerWaalsContact CD1-CZ 3.5Å; I589-F591 HydrophobicContact CG1-CE1 4.18Å; I589-F591 HydrophobicContact CG1-CE2 4.28Å; I589-F591 HydrophobicContact CG1-CZ 3.87Å; I589-N629 PolarHBondContact N-O 3.06Å; I589-N629 PolarHBondContact O-N 2.84Å; I589-V631 HydrophobicContact CB-CG2 3.95Å; I589-V631 HydrophobicContact CG2-CG2 3.75Å; I589-L638 HydrophobicContact CG2-CD1 3.53Å; I589-L638 HydrophobicContact CG2-CD2 3.88Å; I589-L638 HydrophobicContact CG2-CG 4.34Å
590	A	97.8	Very high	97.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.4	175.7	0	0	0	0	0	110	Y551 L552 F553 L627 I628 L669	Y551-A590 PolarHBondContact O-N 3.12Å; L552-A590 WeakPolarHBondContact CA-O 3.34Å; L552-A590 HydrophobicContact CB-CB 4.41Å; L552-A590 HydrophobicContact CD1-CB 3.8Å; L552-A590 WeakPolarHBondContact CD1-O 3.42Å; F553-A590 PolarHBondContact N-O 3.05Å; F553-A590 VanDerWaalsContact N-O 3.07Å; A590-L627 WeakPolarHBondContact CB-O 3.11Å; A590-I628 HydrophobicContact CB-CG1 4.18Å; A590-L669 HydrophobicContact CB-CD2 4.23Å
591	F	98.4	Very high	97.2	Very high	3 Å²	3	20 Å²	20	1%	0.013	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.8	-175.4	-66.3	-62.9	0	0	0	111.9	F553 F555 L574 I589 Y601 L638 F641 L642	F553-F591 HydrophobicContact CB-CD1 4.02Å; F553-F591 HydrophobicContact CB-CE1 4.21Å; F553-F591 HydrophobicContact CD2-CD1 4.4Å; F553-F591 AromaticContact CD2-CE1 3.95Å; F553-F591 HydrophobicContact CD2-CE1 3.95Å; F553-F591 HydrophobicContact CG-CE1 4.34Å; F555-F591 HydrophobicContact CE2-CD1 4.15Å; L574-F591 HydrophobicContact CD2-CE1 3.83Å; L574-F591 HydrophobicContact CD2-CZ 4.36Å; I589-F591 HydrophobicContact CD1-CE1 3.95Å; I589-F591 HydrophobicContact CD1-CE2 4.26Å; I589-F591 HydrophobicContact CD1-CZ 3.5Å; I589-F591 VanDerWaalsContact CD1-CZ 3.5Å; I589-F591 HydrophobicContact CG1-CE1 4.18Å; I589-F591 HydrophobicContact CG1-CE2 4.28Å; I589-F591 HydrophobicContact CG1-CZ 3.87Å; F591-Y601 HydrophobicContact CB-CD2 4.21Å; F591-Y601 PolarHBondContact O-N 2.8Å; F591-L638 HydrophobicContact CD2-CD2 4.43Å; F591-L638 HydrophobicContact CE2-CD2 3.83Å; F591-F641 HydrophobicContact CB-CE1 3.86Å; F591-F641 HydrophobicContact CB-CZ 4.26Å; F591-F641 HydrophobicContact CD1-CE1 4.28Å; F591-F641 AromaticContact CD2-CD1 3.75Å; F591-F641 HydrophobicContact CD2-CD1 3.75Å; F591-F641 AromaticContact CD2-CE1 3.42Å; F591-F641 HydrophobicContact CD2-CE1 3.42Å; F591-F641 VanDerWaalsContact CD2-CE1 3.42Å; F591-F641 HydrophobicContact CD2-CZ 4.49Å; F591-F641 AromaticContact CE2-CD1 3.88Å; F591-F641 HydrophobicContact CE2-CD1 3.88Å; F591-F641 AromaticContact CE2-CE1 3.95Å; F591-F641 HydrophobicContact CE2-CE1 3.95Å; F591-F641 HydrophobicContact CG-CD1 4.37Å; F591-F641 AromaticContact CG-CE1 3.61Å; F591-F641 HydrophobicContact CG-CE1 3.61Å; F591-F641 HydrophobicContact CG-CZ 4.47Å; F591-L642 HydrophobicContact CE1-CD2 3.89Å; F591-L642 HydrophobicContact CZ-CD1 4.04Å; F591-L642 HydrophobicContact CZ-CD2 3.87Å; F591-L642 HydrophobicContact CZ-CG 4.06Å
592	M	98.4	Very high	97.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151	170.8	-69.8	167.2	62.1	0	0	110.2	L552 F553 C554 F555 V598 H599 Y600 A662 A665 A666 L669	L552-M592 HydrophobicContact CD1-CB 4.43Å; L552-M592 HydrophobicContact CD1-CG 4Å; L552-M592 HydrophobicContact CD1-SD 3.95Å; L552-M592 HydrophobicContact CD2-SD 3.96Å; L552-M592 HydrophobicContact CG-SD 4.48Å; F553-M592 PolarHBondContact O-N 2.98Å; C554-M592 WeakPolarHBondContact CA-O 3.33Å; F555-M592 PolarHBondContact N-O 3.41Å; M592-V598 HydrophobicContact CE-CG1 3.63Å; M592-H599 WeakPolarHBondContact CA-O 3.48Å; M592-H599 WeakPolarHBondContact CB-O 3.32Å; M592-Y600 HydrophobicContact CE-CD1 4.28Å; M592-Y600 HydrophobicContact CE-CE1 3.95Å; M592-Y600 HydrophobicContact CG-CD1 3.99Å; M592-Y600 HydrophobicContact SD-CD1 4.14Å; M592-Y600 HydrophobicContact SD-CE1 4.15Å; M592-A662 WeakPolarHBondContact CE-O 3.45Å; M592-A665 HydrophobicContact CE-CB 3.48Å; M592-A665 VanDerWaalsContact CE-CB 3.48Å; M592-A666 HydrophobicContact CE-CB 4.34Å; M592-A666 HydrophobicContact SD-CB 4.07Å; M592-L669 HydrophobicContact SD-CD2 4.13Å
593	T	98.7	Very high	97	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.3	164.9	63.1	0	0	0	0	109.7	F555 V557 H599 Y601 L645 F649	F555-T593 HydrophobicContact CB-CG2 4.16Å; F555-T593 HydrophobicContact CD2-CG2 4.34Å; F555-T593 CarbonylContact O-C 3.59Å; F555-T593 WeakPolarHBondContact O-CA 3.31Å; F555-T593 WeakPolarHBondContact O-CB 3.5Å; V557-T593 HydrophobicContact CG1-CG2 3.78Å; T593-H599 PolarHBondContact N-O 2.86Å; T593-H599 WeakPolarHBondContact O-CB 3.28Å; T593-H599 PolarHBondContact O-N 2.84Å; T593-H599 WeakPolarHBondContact OG1-CB 3.19Å; T593-H599 PolarHBondContact OG1-ND1 3.37Å; T593-Y601 HydrophobicContact CG2-CE2 3.71Å; T593-Y601 WeakPolarHBondContact CG2-OH 3.4Å; T593-Y601 PolarHBondContact OG1-OH 2.82Å; T593-L645 HydrophobicContact CG2-CD1 4.13Å; T593-L645 HydrophobicContact CG2-CD2 4.47Å; T593-F649 HydrophobicContact CG2-CE2 4.18Å; T593-F649 HydrophobicContact CG2-CZ 4.41Å
594	F	98.3	Very high	96.9	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147.7	179.9	62.5	-86.4	0	0	0	113.3	C554 F555 D556 V557 S597 L659 A662 V679 F680	C554-F594 HydrophobicContact CB-CD1 4.42Å; C554-F594 HydrophobicContact CB-CE1 4.12Å; F555-F594 VanDerWaalsContact C-CE1 3.49Å; F555-F594 WeakPolarHBondContact O-CD1 3.2Å; F555-F594 PolarHBondContact O-N 3.08Å; D556-F594 HydrophobicContact CB-CE1 4.46Å; D556-F594 HydrophobicContact CB-CE2 3.91Å; D556-F594 HydrophobicContact CB-CZ 3.81Å; V557-F594 WeakPolarHBondContact CG2-O 3.48Å; V557-F594 PolarHBondContact N-O 2.72Å; F594-S597 VanDerWaalsContact CA-O 3.31Å; F594-S597 WeakPolarHBondContact CA-O 3.41Å; F594-L659 HydrophobicContact CE2-CB 3.99Å; F594-L659 HydrophobicContact CE2-CD1 4.17Å; F594-L659 HydrophobicContact CZ-CD1 3.84Å; F594-A662 HydrophobicContact CB-CB 3.71Å; F594-A662 HydrophobicContact CD1-CB 3.75Å; F594-A662 HydrophobicContact CD2-CB 4.23Å; F594-A662 HydrophobicContact CE1-CB 4.45Å; F594-A662 HydrophobicContact CG-CB 3.63Å; F594-V679 HydrophobicContact CZ-CG1 4.33Å; F594-F680 WeakPolarHBondContact CZ-O 3.44Å
595	N	97.5	Very high	96.7	Very high	14 Å²	14	24.9 Å²	24.9	8%	0.075	15%	0.151	C	C	.	.	S	Bend	trans	-148.9	-120.7	177.3	56.9	0.3	0	0	0	108	V557 S597 H599 D654 G656 N657 C658	V557-N595 HydrophobicContact CG2-CB 4.2Å; N595-S597 PolarHBondContact N-O 2.95Å; N595-S597 PolarHBondContact O-N 2.83Å; N595-S597 PolarHBondContact OD1-N 3.42Å; N595-S597 PolarHBondContact OD1-O 3.09Å; N595-S597 PolarHBondContact OD1-OG 2.69Å; N595-H599 PolarHBondContact OD1-CE1 3.23Å; N595-H599 PolarHBondContact OD1-NE2 2.93Å; N595-D654 HydrophobicContact CB-CB 4.45Å; N595-D654 WeakPolarHBondContact CB-OD2 3.19Å; N595-D654 PolarHBondContact ND2-OD2 2.83Å; N595-D654 PolarHBondContact OD1-OD2 3.47Å; N595-G656 CarbonylContact C-O 3.57Å; N595-G656 VanDerWaalsContact CA-O 3.3Å; N595-G656 WeakPolarHBondContact CA-O 3.24Å; N595-G656 CarbonylContact O-C 3.55Å; N595-N657 CarbonylContact O-C 3.24Å; N595-N657 VanDerWaalsContact O-CA 3.31Å; N595-N657 WeakPolarHBondContact O-CA 3.48Å; N595-C658 PolarHBondContact O-N 3.47Å; N595-C658 PolarHBondContact O-SG 2.79Å
596	S	97.2	Very high	96.4	Very high	47 Å²	47	28.7 Å²	28.7	33%	0.329	16%	0.16	S	C	.	.	S	Bend	trans	-70.4	-12.4	162.5	-67.8	0	0	0	0	113.7	L616 D654 G656	S596-L616 WeakPolarHBondContact O-CD1 3.24Å; S596-D654 WeakPolarHBondContact CB-OD1 3.41Å; S596-D654 WeakPolarHBondContact CB-OD2 3.4Å; S596-D654 PolarHBondContact N-OD2 3.04Å; S596-D654 PolarHBondContact OG-OD1 2.78Å; S596-D654 PolarHBondContact OG-OD2 3.2Å; S596-G656 PolarHBondContact N-O 2.62Å; S596-G656 WeakPolarHBondContact OG-CA 3.36Å
597	S	97	Very high	96.3	Very high	21 Å²	21	28.2 Å²	28.2	15%	0.147	17%	0.167	C	C	.	.	S	Bend	trans	-131.1	165	174.2	44.8	0	0	0	0	112.3	F594 N595 H599 C658	F594-S597 VanDerWaalsContact CA-O 3.31Å; F594-S597 WeakPolarHBondContact CA-O 3.41Å; N595-S597 PolarHBondContact N-O 2.95Å; N595-S597 PolarHBondContact O-N 2.83Å; N595-S597 PolarHBondContact OD1-N 3.42Å; N595-S597 PolarHBondContact OD1-O 3.09Å; N595-S597 PolarHBondContact OD1-OG 2.69Å; S597-H599 PolarHBondContact OG-NE2 3.04Å; S597-C658 PolarHBondContact O-SG 3.07Å
598	V	97.9	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.1	173.1	177.8	0	0	0	0	109.2	M592 Y600 C613 L616 A662 A665	M592-V598 HydrophobicContact CE-CG1 3.63Å; V598-Y600 HydrophobicContact CG1-CE1 4.47Å; V598-Y600 HydrophobicContact CG1-CE2 4.45Å; V598-C613 HydrophobicContact CB-CB 4.35Å; V598-C613 PolarHBondContact N-O 2.92Å; V598-C613 PolarHBondContact O-N 3.42Å; V598-L616 HydrophobicContact CG2-CD2 3.92Å; V598-A662 HydrophobicContact CG2-CB 4.17Å; V598-A665 HydrophobicContact CG1-CB 3.94Å
599	H	97.6	Very high	96.1	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.4	178.9	-40.8	131.4	0	0	0	111.2	M592 T593 N595 S597 Y601 M610 L611	M592-H599 WeakPolarHBondContact CA-O 3.48Å; M592-H599 WeakPolarHBondContact CB-O 3.32Å; T593-H599 PolarHBondContact N-O 2.86Å; T593-H599 WeakPolarHBondContact O-CB 3.28Å; T593-H599 PolarHBondContact O-N 2.84Å; T593-H599 WeakPolarHBondContact OG1-CB 3.19Å; T593-H599 PolarHBondContact OG1-ND1 3.37Å; N595-H599 PolarHBondContact OD1-CE1 3.23Å; N595-H599 PolarHBondContact OD1-NE2 2.93Å; S597-H599 PolarHBondContact OG-NE2 3.04Å; H599-Y601 HydrophobicContact CB-CE2 4.24Å; H599-M610 HydrophobicContact CB-CE 3.73Å; H599-M610 HydrophobicContact CB-CG 4.28Å; H599-M610 WeakPolarHBondContact ND1-CE 3.34Å; H599-L611 WeakPolarHBondContact CA-O 3.3Å
600	Y	97.3	Very high	96	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	153.5	170.8	-53.4	-80.4	0	0	0	110.1	M592 V598 M610 L611 C613 F620 L621 P622 A665	M592-Y600 HydrophobicContact CE-CD1 4.28Å; M592-Y600 HydrophobicContact CE-CE1 3.95Å; M592-Y600 HydrophobicContact CG-CD1 3.99Å; M592-Y600 HydrophobicContact SD-CD1 4.14Å; M592-Y600 HydrophobicContact SD-CE1 4.15Å; V598-Y600 HydrophobicContact CG1-CE1 4.47Å; V598-Y600 HydrophobicContact CG1-CE2 4.45Å; Y600-M610 WeakPolarHBondContact O-CA 3.5Å; Y600-L611 PolarHBondContact N-O 2.86Å; Y600-L611 PolarHBondContact O-N 3.41Å; Y600-C613 HydrophobicContact CE2-CB 3.95Å; Y600-F620 PolarHBondContact OH-O 3Å; Y600-L621 HydrophobicContact CE1-CD2 3.77Å; Y600-P622 HydrophobicContact CD2-CG 3.88Å; Y600-P622 HydrophobicContact CE2-CG 4.37Å; Y600-P622 HydrophobicContact CG-CG 4.2Å; Y600-A665 HydrophobicContact CE1-CB 3.99Å; Y600-A665 VanDerWaalsContact OH-CB 3.28Å; Y600-A665 WeakPolarHBondContact OH-CB 3.29Å
601	Y	97.3	Very high	95.9	Very high	6 Å²	6	38.3 Å²	38.3	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.5	174.8	-64.9	-92.1	0	0	0	110.8	F591 T593 H599 K609 M610 F641 L645 F649	F591-Y601 HydrophobicContact CB-CD2 4.21Å; F591-Y601 PolarHBondContact O-N 2.8Å; T593-Y601 HydrophobicContact CG2-CE2 3.71Å; T593-Y601 WeakPolarHBondContact CG2-OH 3.4Å; T593-Y601 PolarHBondContact OG1-OH 2.82Å; H599-Y601 HydrophobicContact CB-CE2 4.24Å; Y601-K609 WeakPolarHBondContact CA-O 3.23Å; Y601-M610 HydrophobicContact CD1-CB 4.12Å; Y601-M610 HydrophobicContact CD1-CG 4.46Å; Y601-M610 HydrophobicContact CE1-CB 3.77Å; Y601-M610 HydrophobicContact CE1-CG 3.8Å; Y601-M610 HydrophobicContact CE1-SD 4.32Å; Y601-F641 HydrophobicContact CD1-CD2 4.42Å; Y601-F641 AromaticContact CD1-CE2 3.29Å; Y601-F641 HydrophobicContact CD1-CE2 3.29Å; Y601-F641 AromaticContact CD1-CZ 3.51Å; Y601-F641 HydrophobicContact CD1-CZ 3.51Å; Y601-F641 HydrophobicContact CD2-CZ 4.04Å; Y601-F641 AromaticContact CE1-CE2 3.6Å; Y601-F641 HydrophobicContact CE1-CE2 3.6Å; Y601-F641 AromaticContact CE1-CZ 3.86Å; Y601-F641 HydrophobicContact CE1-CZ 3.86Å; Y601-F641 HydrophobicContact CE2-CZ 4.38Å; Y601-F641 AromaticContact CG-CE2 3.87Å; Y601-F641 HydrophobicContact CG-CE2 3.87Å; Y601-F641 AromaticContact CG-CZ 3.59Å; Y601-F641 HydrophobicContact CG-CZ 3.59Å; Y601-L645 HydrophobicContact CE1-CD1 4.11Å; Y601-F649 WeakPolarHBondContact OH-CZ 3.28Å
602	K	96.1	Very high	95.8	Very high	37 Å²	37	43 Å²	43	16%	0.161	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.2	-175.8	-173.6	175.6	178.5	174.7	0	111.2	C604 K609 L611 D623 E625 G626 L627	K602-C604 PolarHBondContact O-N 2.79Å; K602-K609 PolarHBondContact N-O 2.97Å; K602-K609 PolarHBondContact O-N 3.17Å; K602-L611 HydrophobicContact CB-CD1 4Å; K602-L611 HydrophobicContact CD-CD1 4.08Å; K602-D623 IonicContact NZ-OD1 3.91Å; K602-D623 PolarHBondContact NZ-OD1 2.88Å; K602-D623 IonicContact NZ-OD2 3.68Å; K602-D623 PolarHBondContact NZ-OD2 2.61Å; K602-E625 WeakPolarHBondContact CE-O 3.45Å; K602-G626 CarbonylContact C-O 3.58Å; K602-G626 WeakPolarHBondContact CA-O 3.5Å; K602-L627 HydrophobicContact CB-CD2 3.78Å; K602-L627 HydrophobicContact CG-CD2 4.23Å
603	L	95.8	Very high	95.6	Very high	35 Å²	35	43 Å²	43	18%	0.183	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.2	171.4	-173.4	60.7	0	0	0	109.8	G605 M608 G626 N629	L603-G605 VanDerWaalsContact CD1-O 3.26Å; L603-G605 WeakPolarHBondContact CD1-O 3.36Å; L603-G605 WeakPolarHBondContact CG-O 3.23Å; L603-M608 VanDerWaalsContact CA-SD 3.59Å; L603-M608 HydrophobicContact CB-SD 3.62Å; L603-M608 HydrophobicContact CD1-CG 4.43Å; L603-M608 HydrophobicContact CD1-SD 3.65Å; L603-M608 HydrophobicContact CG-SD 4.2Å; L603-G626 PolarHBondContact N-O 2.76Å; L603-N629 VanDerWaalsContact CB-OD1 3.27Å; L603-N629 WeakPolarHBondContact CB-OD1 3.32Å; L603-N629 WeakPolarHBondContact CD2-OD1 3.38Å
604	C	93.6	Very high	95.3	Very high	40 Å²	40	47.7 Å²	47.7	27%	0.27	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	95.6	-178.1	-70.6	0	0	0	0	108.7	K602 E606 T607 K609	K602-C604 PolarHBondContact O-N 2.79Å; C604-E606 PolarHBondContact O-N 2.87Å; C604-T607 PolarHBondContact N-O 2.88Å; C604-T607 PolarHBondContact O-N 3.05Å; C604-T607 PolarHBondContact O-OG1 2.88Å; C604-K609 HydrophobicContact CB-CD 3.76Å; C604-K609 HydrophobicContact CB-CG 4.03Å
605	G	89.7	Confident	95.1	Very high	70 Å²	70	51 Å²	51	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-127.9	-163.8	0	0	0	0	0	109.3	L603	L603-G605 VanDerWaalsContact CD1-O 3.26Å; L603-G605 WeakPolarHBondContact CD1-O 3.36Å; L603-G605 WeakPolarHBondContact CG-O 3.23Å
606	E	88.8	Confident	95	Very high	165 Å²	165	51.2 Å²	51.2	77%	0.771	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-0.6	177.3	-60.4	-179.5	157.7	0	0	113.4	C604 S637	C604-E606 PolarHBondContact O-N 2.87Å; E606-S637 WeakPolarHBondContact CA-OG 3.36Å; E606-S637 WeakPolarHBondContact O-CB 3.42Å; E606-S637 PolarHBondContact O-OG 3.29Å
607	T	93.3	Very high	94.6	Very high	78 Å²	78	58 Å²	58	48%	0.479	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.3	-172.5	62.8	0	0	0	0	112.8	C604	C604-T607 PolarHBondContact N-O 2.88Å; C604-T607 PolarHBondContact O-N 3.05Å; C604-T607 PolarHBondContact O-OG1 2.88Å
608	M	95.2	Very high	94.3	Very high	31 Å²	31	64.3 Å²	64.3	15%	0.153	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.7	172	-65.2	-63	-69.9	0	0	110.4	L603 F641	L603-M608 VanDerWaalsContact CA-SD 3.59Å; L603-M608 HydrophobicContact CB-SD 3.62Å; L603-M608 HydrophobicContact CD1-CG 4.43Å; L603-M608 HydrophobicContact CD1-SD 3.65Å; L603-M608 HydrophobicContact CG-SD 4.2Å; M608-F641 HydrophobicContact CB-CB 4.05Å; M608-F641 HydrophobicContact CB-CD2 3.52Å; M608-F641 HydrophobicContact CB-CE2 4.16Å; M608-F641 HydrophobicContact CB-CG 3.84Å; M608-F641 HydrophobicContact CG-CB 3.59Å; M608-F641 HydrophobicContact CG-CD1 4.31Å; M608-F641 HydrophobicContact CG-CD2 3.91Å; M608-F641 HydrophobicContact CG-CG 3.66Å
609	K	94.2	Very high	93.9	Very high	116 Å²	116	64.6 Å²	64.6	50%	0.504	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.2	178	-64.1	-173.7	-173.7	172.8	0	111.4	Y601 K602 C604	Y601-K609 WeakPolarHBondContact CA-O 3.23Å; K602-K609 PolarHBondContact N-O 2.97Å; K602-K609 PolarHBondContact O-N 3.17Å; C604-K609 HydrophobicContact CB-CD 3.76Å; C604-K609 HydrophobicContact CB-CG 4.03Å
610	M	96	Very high	93.4	Very high	71 Å²	71	69.7 Å²	69.7	35%	0.35	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.3	176.6	-171.9	178	179.9	0	0	110.6	H599 Y600 Y601 I612 F649	H599-M610 HydrophobicContact CB-CE 3.73Å; H599-M610 HydrophobicContact CB-CG 4.28Å; H599-M610 WeakPolarHBondContact ND1-CE 3.34Å; Y600-M610 WeakPolarHBondContact O-CA 3.5Å; Y601-M610 HydrophobicContact CD1-CB 4.12Å; Y601-M610 HydrophobicContact CD1-CG 4.46Å; Y601-M610 HydrophobicContact CE1-CB 3.77Å; Y601-M610 HydrophobicContact CE1-CG 3.8Å; Y601-M610 HydrophobicContact CE1-SD 4.32Å; M610-I612 HydrophobicContact CE-CD1 4.31Å; M610-I612 HydrophobicContact CE-CG1 4.21Å; M610-I612 HydrophobicContact CG-CG1 4.41Å; M610-F649 HydrophobicContact CE-CE1 3.99Å; M610-F649 HydrophobicContact CE-CZ 3.77Å; M610-F649 HydrophobicContact SD-CZ 4.45Å
611	L	95.7	Very high	93	Very high	60 Å²	60	72.2 Å²	72.2	31%	0.314	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.8	175.1	-58.5	176.4	0	0	0	108.6	H599 Y600 K602 P622	H599-L611 WeakPolarHBondContact CA-O 3.3Å; Y600-L611 PolarHBondContact N-O 2.86Å; Y600-L611 PolarHBondContact O-N 3.41Å; K602-L611 HydrophobicContact CB-CD1 4Å; K602-L611 HydrophobicContact CD-CD1 4.08Å; L611-P622 HydrophobicContact CD1-CB 3.91Å; L611-P622 HydrophobicContact CD1-CG 3.81Å
612	I	95.8	Very high	92.5	Very high	103 Å²	103	73.4 Å²	73.4	53%	0.528	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.4	-173	-58.8	179	0	0	0	110	M610 P614	M610-I612 HydrophobicContact CE-CD1 4.31Å; M610-I612 HydrophobicContact CE-CG1 4.21Å; M610-I612 HydrophobicContact CG-CG1 4.41Å; I612-P614 WeakPolarHBondContact O-CD 3.43Å
613	C	94.6	Very high	91.9	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.007	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	98.3	170	-172.5	0	0	0	0	108.6	V598 Y600 D615	V598-C613 HydrophobicContact CB-CB 4.35Å; V598-C613 PolarHBondContact N-O 2.92Å; V598-C613 PolarHBondContact O-N 3.42Å; Y600-C613 HydrophobicContact CE2-CB 3.95Å; C613-D615 PolarHBondContact SG-O 2.95Å
614	P	91.7	Very high	91.1	Very high	98 Å²	98	79.6 Å²	79.6	64%	0.636	42%	0.424	S	S	*	.			trans	-82.5	-14.9	176.8	34.5	-35.3	0	0	0	112.8	I612	I612-P614 WeakPolarHBondContact O-CD 3.43Å
615	D	94.8	Very high	90.9	Very high	72 Å²	72	84.9 Å²	84.9	39%	0.385	45%	0.445	S	S	.	.			trans	-76	126.3	171	-162.2	-39.1	0	0	0	109.6	C613 E617 E618 F620	C613-D615 PolarHBondContact SG-O 2.95Å; D615-E617 PolarHBondContact OD1-N 3.17Å; D615-E618 PolarHBondContact OD1-N 3.42Å; D615-F620 HydrophobicContact CB-CE1 4.42Å
616	L	95.1	Very high	91	Very high	18 Å²	18	82.5 Å²	82.5	9%	0.094	42%	0.42	C	S	.	.	S	Bend	trans	-117.8	-4.3	-179.1	-58.8	-178.6	0	0	0	112.7	S596 V598 C658 S661 V687	S596-L616 WeakPolarHBondContact O-CD1 3.24Å; V598-L616 HydrophobicContact CG2-CD2 3.92Å; L616-C658 HydrophobicContact CD1-CB 3.74Å; L616-C658 HydrophobicContact CD2-CB 4.04Å; L616-S661 PolarHBondContact O-OG 2.95Å; L616-V687 HydrophobicContact CD1-CB 4.3Å; L616-V687 HydrophobicContact CD1-CG1 3.68Å
617	E	89.6	Confident	91.4	Very high	190 Å²	190	74.8 Å²	74.8	89%	0.888	38%	0.384	S	S	*	.	S	Bend	trans	-93.2	-52.7	178.2	-64.9	-171.7	-170.3	0	0	109.9	D615	D615-E617 PolarHBondContact OD1-N 3.17Å
618	E	89.4	Confident	91.5	Very high	153 Å²	153	72.9 Å²	72.9	72%	0.715	37%	0.37	S	S	*	.	S	Bend	trans	-111.6	71.8	172.5	-164.2	171.2	-174.3	0	0	112	D615 F620	D615-E618 PolarHBondContact OD1-N 3.42Å; E618-F620 PolarHBondContact O-N 2.97Å
619	I	90.4	Very high	91.6	Very high	5 Å²	5	72 Å²	72	3%	0.026	37%	0.366	C	S	.	.			trans	-61.1	109.7	-179.1	-60.4	172.4	0	0	0	111.1	S661 Q664 A665 K668	I619-S661 VanDerWaalsContact CD1-O 3.32Å; I619-S661 WeakPolarHBondContact CD1-O 3.29Å; I619-Q664 HydrophobicContact CD1-CB 3.95Å; I619-Q664 VanDerWaalsContact CD1-OE1 3.24Å; I619-A665 HydrophobicContact CG2-CB 3.69Å; I619-K668 PolarHBondContact O-NZ 3.24Å
620	F	87.8	Confident	91.7	Very high	111 Å²	111	70.8 Å²	70.8	49%	0.487	36%	0.359	S	S	.	.			trans	-97.2	159.2	173.2	60.1	-85.6	0	0	0	111.6	Y600 D615 E618	Y600-F620 PolarHBondContact OH-O 3Å; D615-F620 HydrophobicContact CB-CE1 4.42Å; E618-F620 PolarHBondContact O-N 2.97Å
621	L	88.5	Confident	91.7	Very high	56 Å²	56	67.7 Å²	67.7	29%	0.293	34%	0.344	S	S	.	.			trans	-90.7	143.9	160.8	-64.7	175.4	0	0	0	108.2	Y600 K668 L669	Y600-L621 HydrophobicContact CE1-CD2 3.77Å; L621-K668 HydrophobicContact CD1-CB 4.02Å; L621-K668 HydrophobicContact CD2-CB 4.1Å; L621-K668 HydrophobicContact CG-CB 3.98Å; L621-L669 HydrophobicContact CD2-CB 3.93Å; L621-L669 HydrophobicContact CD2-CD1 4.37Å
622	P	86.3	Confident	91.6	Very high	32 Å²	32	68.5 Å²	68.5	21%	0.208	35%	0.346	C	S	.	.			trans	-66.6	-177.1	154.9	30	-29.4	0	0	0	110	Y600 L611 D624 L627	Y600-P622 HydrophobicContact CD2-CG 3.88Å; Y600-P622 HydrophobicContact CE2-CG 4.37Å; Y600-P622 HydrophobicContact CG-CG 4.2Å; L611-P622 HydrophobicContact CD1-CB 3.91Å; L611-P622 HydrophobicContact CD1-CG 3.81Å; P622-D624 PolarHBondContact O-N 3.02Å; P622-L627 HydrophobicContact CG-CD1 3.99Å; P622-L627 HydrophobicContact CG-CD2 4.39Å
623	D	84.4	Confident	91.6	Very high	89 Å²	89	68.6 Å²	68.6	48%	0.476	35%	0.347	S	S	.	.			trans	-60.7	136.1	174.1	61.2	-35.3	0	0	0	111.2	K602	K602-D623 IonicContact NZ-OD1 3.91Å; K602-D623 PolarHBondContact NZ-OD1 2.88Å; K602-D623 IonicContact NZ-OD2 3.68Å; K602-D623 PolarHBondContact NZ-OD2 2.61Å
624	D	79.2	Confident	91.6	Very high	112 Å²	112	69 Å²	69	60%	0.599	35%	0.35	S	S	*	.			trans	-84.2	-16.8	-163.5	60.8	-34.2	0	0	0	114.3	P622 G626 L627	P622-D624 PolarHBondContact O-N 3.02Å; D624-G626 PolarHBondContact O-N 2.97Å; D624-L627 WeakPolarHBondContact O-CB 3.38Å; D624-L627 PolarHBondContact O-N 2.78Å; D624-L627 VanDerWaalsContact O-N 3.09Å
625	E	88.4	Confident	91.7	Very high	152 Å²	152	64.8 Å²	64.8	71%	0.71	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	126.1	170.3	-65.8	-157.6	143.7	0	0	111	K602 L627	K602-E625 WeakPolarHBondContact CE-O 3.45Å; E625-L627 PolarHBondContact O-N 3.02Å
626	G	92.5	Very high	91.7	Very high	19 Å²	19	63.9 Å²	63.9	20%	0.196	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-1.8	-179.6	0	0	0	0	0	115.7	K602 L603 D624 N629	K602-G626 CarbonylContact C-O 3.58Å; K602-G626 WeakPolarHBondContact CA-O 3.5Å; L603-G626 PolarHBondContact N-O 2.76Å; D624-G626 PolarHBondContact O-N 2.97Å; G626-N629 PolarHBondContact O-ND2 3.08Å; G626-N629 PolarHBondContact O-OD1 3.32Å
627	L	96.3	Very high	91.8	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.016	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-39.5	167.9	-59.8	-175.5	0	0	0	111.6	A590 K602 P622 D624 E625 N629 L669	A590-L627 WeakPolarHBondContact CB-O 3.11Å; K602-L627 HydrophobicContact CB-CD2 3.78Å; K602-L627 HydrophobicContact CG-CD2 4.23Å; P622-L627 HydrophobicContact CG-CD1 3.99Å; P622-L627 HydrophobicContact CG-CD2 4.39Å; D624-L627 WeakPolarHBondContact O-CB 3.38Å; D624-L627 PolarHBondContact O-N 2.78Å; D624-L627 VanDerWaalsContact O-N 3.09Å; E625-L627 PolarHBondContact O-N 3.02Å; L627-N629 PolarHBondContact O-ND2 3.02Å; L627-L669 HydrophobicContact CB-CD1 3.85Å; L627-L669 HydrophobicContact CD1-CD1 3.75Å; L627-L669 HydrophobicContact CG-CD1 4.48Å
628	I	96.4	Very high	92.1	Very high	38 Å²	38	55 Å²	55	20%	0.195	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.5	177.2	-55.5	176.4	0	0	0	108	T550 Q588 A590 L669 I670	T550-I628 HydrophobicContact CG2-CG2 4.28Å; Q588-I628 HydrophobicContact CB-CG2 3.7Å; Q588-I628 HydrophobicContact CG-CG2 3.81Å; A590-I628 HydrophobicContact CB-CG1 4.18Å; I628-L669 HydrophobicContact CD1-CD1 3.98Å; I628-L669 HydrophobicContact CD1-CG 4.17Å; I628-L669 HydrophobicContact CG1-CD1 3.89Å; I628-L669 HydrophobicContact CG1-CG 4.13Å; I628-I670 HydrophobicContact CD1-CG2 4.09Å
629	N	96.3	Very high	92.5	Very high	12 Å²	12	50.9 Å²	50.9	6%	0.064	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.1	-169.1	-63.8	-76.6	0	0	0	111.2	Q588 I589 L603 G626 L627 L638	Q588-N629 CarbonylContact C-O 3.55Å; Q588-N629 VanDerWaalsContact CA-O 3.32Å; Q588-N629 WeakPolarHBondContact CA-O 3.02Å; I589-N629 PolarHBondContact N-O 3.06Å; I589-N629 PolarHBondContact O-N 2.84Å; L603-N629 VanDerWaalsContact CB-OD1 3.27Å; L603-N629 WeakPolarHBondContact CB-OD1 3.32Å; L603-N629 WeakPolarHBondContact CD2-OD1 3.38Å; G626-N629 PolarHBondContact O-ND2 3.08Å; G626-N629 PolarHBondContact O-OD1 3.32Å; L627-N629 PolarHBondContact O-ND2 3.02Å; N629-L638 HydrophobicContact CB-CD2 4.34Å
630	R	96	Very high	92.8	Very high	92 Å²	92	54.9 Å²	54.9	35%	0.347	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.7	172.3	-78.7	175.9	64.1	-132.3	-4.1	109.8	C585 R587 Q588 E632 D633 S634	C585-R630 VanDerWaalsContact O-CZ 3.31Å; C585-R630 PolarHBondContact O-NE 3.08Å; C585-R630 PolarHBondContact O-NH2 2.83Å; R587-R630 WeakPolarHBondContact O-CA 3.14Å; Q588-R630 HydrophobicContact CG-CG 4.22Å; R630-E632 PolarHBondContact O-N 3.23Å; R630-D633 HydrophobicContact CB-CB 4.18Å; R630-D633 WeakPolarHBondContact CB-OD2 3.26Å; R630-D633 WeakPolarHBondContact CD-OD2 3.48Å; R630-D633 IonicContact CZ-OD1 2.72Å; R630-D633 IonicContact CZ-OD2 3.35Å; R630-D633 VanDerWaalsContact CZ-OD2 3.25Å; R630-D633 IonicContact NE-OD2 3.05Å; R630-D633 IonicContact NH1-OD1 3.47Å; R630-D633 PolarHBondContact NH1-OD1 2.85Å; R630-D633 IonicContact NH1-OD2 3.21Å; R630-D633 PolarHBondContact NH1-OD2 3.28Å; R630-D633 IonicContact NH2-OD1 2.64Å; R630-D633 PolarHBondContact NH2-OD1 3.08Å; R630-D633 PolarHBondContact O-N 2.95Å; R630-S634 PolarHBondContact O-N 2.61Å; R630-S634 VanDerWaalsContact O-N 3.13Å; R630-S634 PolarHBondContact O-OG 2.83Å
631	V	95.8	Very high	93.2	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-35.5	-175.5	179.3	0	0	0	0	110.8	I578 R587 I589 G635	I578-V631 HydrophobicContact CD1-CG1 4.44Å; I578-V631 HydrophobicContact CG1-CG1 4.03Å; R587-V631 HydrophobicContact CG-CB 4.42Å; R587-V631 HydrophobicContact CG-CG2 3.92Å; R587-V631 PolarHBondContact O-N 2.92Å; I589-V631 HydrophobicContact CB-CG2 3.95Å; I589-V631 HydrophobicContact CG2-CG2 3.75Å; V631-G635 WeakPolarHBondContact O-CA 3.16Å; V631-G635 PolarHBondContact O-N 3.14Å
632	E	94.5	Very high	93.7	Very high	76 Å²	76	47.7 Å²	47.7	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-70.8	-29.1	-179.4	-63.5	65.6	-134	0	0	112.9	R587 R630	R587-E632 IonicContact CZ-OE1 2.75Å; R587-E632 IonicContact NE-OE1 3.15Å; R587-E632 PolarHBondContact NE-OE1 3.49Å; R587-E632 IonicContact NH2-OE1 2.8Å; R587-E632 PolarHBondContact NH2-OE1 3.22Å; R630-E632 PolarHBondContact O-N 3.23Å
633	D	94.9	Very high	94.1	Very high	105 Å²	105	50.6 Å²	50.6	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-89	-31.6	-178.2	-57.9	-21.3	0	0	0	112.3	R630	R630-D633 HydrophobicContact CB-CB 4.18Å; R630-D633 WeakPolarHBondContact CB-OD2 3.26Å; R630-D633 WeakPolarHBondContact CD-OD2 3.48Å; R630-D633 IonicContact CZ-OD1 2.72Å; R630-D633 IonicContact CZ-OD2 3.35Å; R630-D633 VanDerWaalsContact CZ-OD2 3.25Å; R630-D633 IonicContact NE-OD2 3.05Å; R630-D633 IonicContact NH1-OD1 3.47Å; R630-D633 PolarHBondContact NH1-OD1 2.85Å; R630-D633 IonicContact NH1-OD2 3.21Å; R630-D633 PolarHBondContact NH1-OD2 3.28Å; R630-D633 IonicContact NH2-OD1 2.64Å; R630-D633 PolarHBondContact NH2-OD1 3.08Å; R630-D633 PolarHBondContact O-N 2.95Å
634	S	95.1	Very high	94.7	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-122.4	6.7	-166.4	60.7	0	0	0	0	114.8	R630 G636 S637 L638	R630-S634 PolarHBondContact O-N 2.61Å; R630-S634 VanDerWaalsContact O-N 3.13Å; R630-S634 PolarHBondContact O-OG 2.83Å; S634-G636 PolarHBondContact O-N 2.97Å; S634-S637 PolarHBondContact O-N 3.42Å; S634-S637 VanDerWaalsContact O-N 3.12Å; S634-L638 WeakPolarHBondContact O-CG 3.48Å; S634-L638 PolarHBondContact O-N 3.08Å; S634-L638 WeakPolarHBondContact OG-CD1 3.48Å
635	G	93.1	Very high	95.5	Very high	9 Å²	9	45 Å²	45	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-54	-24.3	-171.8	0	0	0	0	0	116.4	V631 R639	V631-G635 WeakPolarHBondContact O-CA 3.16Å; V631-G635 PolarHBondContact O-N 3.14Å; G635-R639 VanDerWaalsContact C-NH1 3.28Å; G635-R639 WeakPolarHBondContact O-CG 3.49Å; G635-R639 PolarHBondContact O-N 2.85Å; G635-R639 PolarHBondContact O-NH1 2.63Å
636	G	95.4	Very high	95.9	Very high	54 Å²	54	38.6 Å²	38.6	56%	0.557	21%	0.21	S	C	*	.	H	α-helix	trans	-66.1	-63.1	171.7	0	0	0	0	0	111.7	S634 L638 R639 D640	S634-G636 PolarHBondContact O-N 2.97Å; G636-L638 PolarHBondContact O-N 2.88Å; G636-R639 PolarHBondContact O-N 3.15Å; G636-D640 PolarHBondContact O-N 2.9Å; G636-D640 VanDerWaalsContact O-N 3.1Å
637	S	96.6	Very high	96.1	Very high	22 Å²	22	43.4 Å²	43.4	15%	0.154	23%	0.228	C	C	.	.	H	α-helix	trans	-54.3	-35.7	176.9	-56.9	0	0	0	0	113.5	E606 S634 F641	E606-S637 WeakPolarHBondContact CA-OG 3.36Å; E606-S637 WeakPolarHBondContact O-CB 3.42Å; E606-S637 PolarHBondContact O-OG 3.29Å; S634-S637 PolarHBondContact O-N 3.42Å; S634-S637 VanDerWaalsContact O-N 3.12Å; S637-F641 WeakPolarHBondContact O-CB 3.31Å; S637-F641 PolarHBondContact O-N 2.69Å
638	L	96.8	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-35.5	177.8	-64.2	170.1	0	0	0	112.7	I578 I589 F591 N629 S634 G636 L642	I578-L638 HydrophobicContact CD1-CB 3.8Å; I578-L638 HydrophobicContact CD1-CD1 4.14Å; I589-L638 HydrophobicContact CG2-CD1 3.53Å; I589-L638 HydrophobicContact CG2-CD2 3.88Å; I589-L638 HydrophobicContact CG2-CG 4.34Å; F591-L638 HydrophobicContact CD2-CD2 4.43Å; F591-L638 HydrophobicContact CE2-CD2 3.83Å; N629-L638 HydrophobicContact CB-CD2 4.34Å; S634-L638 WeakPolarHBondContact O-CG 3.48Å; S634-L638 PolarHBondContact O-N 3.08Å; S634-L638 WeakPolarHBondContact OG-CD1 3.48Å; G636-L638 PolarHBondContact O-N 2.88Å; L638-L642 WeakPolarHBondContact O-CD1 3.44Å; L638-L642 VanDerWaalsContact O-CG 3.26Å; L638-L642 WeakPolarHBondContact O-CG 3.3Å; L638-L642 PolarHBondContact O-N 2.91Å
639	R	96.9	Very high	96	Very high	66 Å²	66	47.2 Å²	47.2	25%	0.249	25%	0.248	C	C	.	.	H	α-helix	trans	-72.2	-48.5	174.9	-72.6	176.1	-179.1	86	-9.4	111.5	E575 I578 D579 G635 G636 F641 L642 L643	E575-R639 HydrophobicContact CG-CB 3.92Å; E575-R639 HydrophobicContact CG-CG 3.95Å; E575-R639 VanDerWaalsContact OE1-CD 3.27Å; E575-R639 WeakPolarHBondContact OE1-CD 3.17Å; E575-R639 WeakPolarHBondContact OE1-CG 3.32Å; E575-R639 IonicContact OE1-NE 3.25Å; I578-R639 HydrophobicContact CG2-CG 4.21Å; D579-R639 IonicContact OD1-CZ 2.76Å; D579-R639 IonicContact OD1-NH2 3.67Å; D579-R639 PolarHBondContact OD1-NH2 3.07Å; D579-R639 IonicContact OD2-CZ 2.62Å; D579-R639 IonicContact OD2-NH2 2.78Å; D579-R639 PolarHBondContact OD2-NH2 2.79Å; G635-R639 VanDerWaalsContact C-NH1 3.28Å; G635-R639 WeakPolarHBondContact O-CG 3.49Å; G635-R639 PolarHBondContact O-N 2.85Å; G635-R639 PolarHBondContact O-NH1 2.63Å; G636-R639 PolarHBondContact O-N 3.15Å; R639-F641 VanDerWaalsContact C-N 3.29Å; R639-F641 PolarHBondContact O-N 2.69Å; R639-L642 PolarHBondContact O-N 2.64Å; R639-L643 WeakPolarHBondContact O-CG 2.99Å; R639-L643 PolarHBondContact O-N 3.48Å
640	D	96.6	Very high	95.9	Very high	89 Å²	89	53 Å²	53	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-57	-44.8	178.6	-177.6	74.8	0	0	0	111.5	G636 L642 L643 H644	G636-D640 PolarHBondContact O-N 2.9Å; G636-D640 VanDerWaalsContact O-N 3.1Å; D640-L642 PolarHBondContact O-N 2.92Å; D640-L643 PolarHBondContact O-N 2.99Å; D640-H644 PolarHBondContact O-N 2.79Å; D640-H644 PolarHBondContact O-ND1 3.46Å; D640-H644 IonicContact OD1-CE1 2.72Å; D640-H644 PolarHBondContact OD1-CE1 3.18Å; D640-H644 IonicContact OD1-ND1 3.53Å; D640-H644 PolarHBondContact OD1-ND1 3.28Å; D640-H644 IonicContact OD2-ND1 3.51Å
641	F	97.8	Very high	95.7	Very high	16 Å²	16	51.5 Å²	51.5	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-57.5	-46.8	171.9	168.8	-109	0	0	0	113	F591 Y601 M608 S637 R639 L643 H644 L645	F591-F641 HydrophobicContact CB-CE1 3.86Å; F591-F641 HydrophobicContact CB-CZ 4.26Å; F591-F641 HydrophobicContact CD1-CE1 4.28Å; F591-F641 AromaticContact CD2-CD1 3.75Å; F591-F641 HydrophobicContact CD2-CD1 3.75Å; F591-F641 AromaticContact CD2-CE1 3.42Å; F591-F641 HydrophobicContact CD2-CE1 3.42Å; F591-F641 VanDerWaalsContact CD2-CE1 3.42Å; F591-F641 HydrophobicContact CD2-CZ 4.49Å; F591-F641 AromaticContact CE2-CD1 3.88Å; F591-F641 HydrophobicContact CE2-CD1 3.88Å; F591-F641 AromaticContact CE2-CE1 3.95Å; F591-F641 HydrophobicContact CE2-CE1 3.95Å; F591-F641 HydrophobicContact CG-CD1 4.37Å; F591-F641 AromaticContact CG-CE1 3.61Å; F591-F641 HydrophobicContact CG-CE1 3.61Å; F591-F641 HydrophobicContact CG-CZ 4.47Å; Y601-F641 HydrophobicContact CD1-CD2 4.42Å; Y601-F641 AromaticContact CD1-CE2 3.29Å; Y601-F641 HydrophobicContact CD1-CE2 3.29Å; Y601-F641 AromaticContact CD1-CZ 3.51Å; Y601-F641 HydrophobicContact CD1-CZ 3.51Å; Y601-F641 HydrophobicContact CD2-CZ 4.04Å; Y601-F641 AromaticContact CE1-CE2 3.6Å; Y601-F641 HydrophobicContact CE1-CE2 3.6Å; Y601-F641 AromaticContact CE1-CZ 3.86Å; Y601-F641 HydrophobicContact CE1-CZ 3.86Å; Y601-F641 HydrophobicContact CE2-CZ 4.38Å; Y601-F641 AromaticContact CG-CE2 3.87Å; Y601-F641 HydrophobicContact CG-CE2 3.87Å; Y601-F641 AromaticContact CG-CZ 3.59Å; Y601-F641 HydrophobicContact CG-CZ 3.59Å; M608-F641 HydrophobicContact CB-CB 4.05Å; M608-F641 HydrophobicContact CB-CD2 3.52Å; M608-F641 HydrophobicContact CB-CE2 4.16Å; M608-F641 HydrophobicContact CB-CG 3.84Å; M608-F641 HydrophobicContact CG-CB 3.59Å; M608-F641 HydrophobicContact CG-CD1 4.31Å; M608-F641 HydrophobicContact CG-CD2 3.91Å; M608-F641 HydrophobicContact CG-CG 3.66Å; S637-F641 WeakPolarHBondContact O-CB 3.31Å; S637-F641 PolarHBondContact O-N 2.69Å; R639-F641 VanDerWaalsContact C-N 3.29Å; R639-F641 PolarHBondContact O-N 2.69Å; F641-L643 VanDerWaalsContact C-N 3.32Å; F641-L643 PolarHBondContact O-N 2.91Å; F641-H644 PolarHBondContact O-N 3.49Å; F641-L645 HydrophobicContact CE1-CD2 4.04Å; F641-L645 HydrophobicContact CE2-CB 4.36Å; F641-L645 HydrophobicContact CE2-CD1 3.86Å; F641-L645 HydrophobicContact CZ-CB 4.35Å; F641-L645 HydrophobicContact CZ-CD1 3.73Å; F641-L645 HydrophobicContact CZ-CD2 3.85Å; F641-L645 HydrophobicContact CZ-CG 4.19Å; F641-L645 WeakPolarHBondContact O-CA 3.31Å; F641-L645 VanDerWaalsContact O-CB 3.27Å; F641-L645 WeakPolarHBondContact O-CB 3.45Å; F641-L645 PolarHBondContact O-N 2.81Å
642	L	97.7	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-34.5	-179.6	-76.9	168.8	0	0	0	112.6	C571 L574 E575 I578 F591 L638 R639 D640	C571-L642 HydrophobicContact CB-CB 4.42Å; C571-L642 HydrophobicContact CB-CD2 4.28Å; C571-L642 WeakPolarHBondContact CB-O 3.36Å; L574-L642 HydrophobicContact CB-CD1 4.26Å; L574-L642 HydrophobicContact CD2-CD1 4.24Å; L574-L642 HydrophobicContact CD2-CD2 4.01Å; L574-L642 HydrophobicContact CG-CD1 3.88Å; L574-L642 HydrophobicContact CG-CD2 4.44Å; E575-L642 HydrophobicContact CB-CB 4.2Å; E575-L642 HydrophobicContact CB-CD1 4.27Å; I578-L642 HydrophobicContact CD1-CD1 4.49Å; F591-L642 HydrophobicContact CE1-CD2 3.89Å; F591-L642 HydrophobicContact CZ-CD1 4.04Å; F591-L642 HydrophobicContact CZ-CD2 3.87Å; F591-L642 HydrophobicContact CZ-CG 4.06Å; L638-L642 WeakPolarHBondContact O-CD1 3.44Å; L638-L642 VanDerWaalsContact O-CG 3.26Å; L638-L642 WeakPolarHBondContact O-CG 3.3Å; L638-L642 PolarHBondContact O-N 2.91Å; R639-L642 PolarHBondContact O-N 2.64Å; D640-L642 PolarHBondContact O-N 2.92Å
643	L	95.2	Very high	95.7	Very high	93 Å²	93	55.4 Å²	55.4	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-66.1	-43.8	176.5	-67.6	172.9	0	0	0	111.8	E575 R639 D640 F641 P646	E575-L643 HydrophobicContact CG-CD2 4.14Å; E575-L643 HydrophobicContact CG-CG 4.18Å; R639-L643 WeakPolarHBondContact O-CG 2.99Å; R639-L643 PolarHBondContact O-N 3.48Å; D640-L643 PolarHBondContact O-N 2.99Å; F641-L643 VanDerWaalsContact C-N 3.32Å; F641-L643 PolarHBondContact O-N 2.91Å; L643-P646 WeakPolarHBondContact O-CD 3.43Å
644	H	96.2	Very high	95.8	Very high	84 Å²	84	52.2 Å²	52.2	39%	0.389	30%	0.298	S	S	.	.	H	α-helix	trans	-88.1	-14.1	-177.9	-58.4	103.5	0	0	0	114.2	D640 F641 P646 E647 N648	D640-H644 PolarHBondContact O-N 2.79Å; D640-H644 PolarHBondContact O-ND1 3.46Å; D640-H644 IonicContact OD1-CE1 2.72Å; D640-H644 PolarHBondContact OD1-CE1 3.18Å; D640-H644 IonicContact OD1-ND1 3.53Å; D640-H644 PolarHBondContact OD1-ND1 3.28Å; D640-H644 IonicContact OD2-ND1 3.51Å; F641-H644 PolarHBondContact O-N 3.49Å; H644-P646 VanDerWaalsContact C-CD 3.45Å; H644-E647 IonicContact CD2-OE2 3.56Å; H644-E647 WeakPolarHBondContact O-CB 3.49Å; H644-E647 PolarHBondContact O-N 2.83Å; H644-N648 PolarHBondContact O-ND2 2.97Å; H644-N648 VanDerWaalsContact O-ND2 3.09Å
645	L	97.7	Very high	95.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-44.1	-179.1	178.7	60	0	0	0	113.8	F555 T593 Y601 F641 E647 N648 F649	F555-L645 HydrophobicContact CD2-CD2 4.21Å; F555-L645 HydrophobicContact CE2-CD2 4.19Å; T593-L645 HydrophobicContact CG2-CD1 4.13Å; T593-L645 HydrophobicContact CG2-CD2 4.47Å; Y601-L645 HydrophobicContact CE1-CD1 4.11Å; F641-L645 HydrophobicContact CE1-CD2 4.04Å; F641-L645 HydrophobicContact CE2-CB 4.36Å; F641-L645 HydrophobicContact CE2-CD1 3.86Å; F641-L645 HydrophobicContact CZ-CB 4.35Å; F641-L645 HydrophobicContact CZ-CD1 3.73Å; F641-L645 HydrophobicContact CZ-CD2 3.85Å; F641-L645 HydrophobicContact CZ-CG 4.19Å; F641-L645 WeakPolarHBondContact O-CA 3.31Å; F641-L645 VanDerWaalsContact O-CB 3.27Å; F641-L645 WeakPolarHBondContact O-CB 3.45Å; F641-L645 PolarHBondContact O-N 2.81Å; L645-E647 VanDerWaalsContact C-N 3.29Å; L645-E647 PolarHBondContact O-N 2.77Å; L645-N648 PolarHBondContact O-ND2 2.68Å; L645-F649 HydrophobicContact CD1-CE2 3.91Å; L645-F649 WeakPolarHBondContact O-CD2 3.2Å
646	P	96.5	Very high	96	Very high	16 Å²	16	56.1 Å²	56.1	10%	0.104	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.1	177.8	-20	33	0	0	0	113.7	L567 Q568 C571 L643 H644 N648 F649	L567-P646 HydrophobicContact CD2-CB 4.31Å; L567-P646 HydrophobicContact CG-CB 4.43Å; L567-P646 HydrophobicContact CG-CG 4.36Å; Q568-P646 HydrophobicContact CB-CB 4.31Å; Q568-P646 HydrophobicContact CB-CG 4.28Å; Q568-P646 HydrophobicContact CG-CB 4.49Å; Q568-P646 HydrophobicContact CG-CG 4.36Å; C571-P646 HydrophobicContact CB-CG 4.36Å; L643-P646 WeakPolarHBondContact O-CD 3.43Å; H644-P646 VanDerWaalsContact C-CD 3.45Å; P646-N648 VanDerWaalsContact C-N 3.31Å; P646-N648 PolarHBondContact O-N 3.13Å; P646-F649 PolarHBondContact O-N 3.18Å
647	E	95.8	Very high	96.1	Very high	120 Å²	120	53.6 Å²	53.6	56%	0.561	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.2	-35.1	-175	-55.2	-169.8	156.1	0	0	112	H644 L645 F649 I650	H644-E647 IonicContact CD2-OE2 3.56Å; H644-E647 WeakPolarHBondContact O-CB 3.49Å; H644-E647 PolarHBondContact O-N 2.83Å; L645-E647 VanDerWaalsContact C-N 3.29Å; L645-E647 PolarHBondContact O-N 2.77Å; E647-F649 PolarHBondContact O-N 2.8Å; E647-I650 HydrophobicContact CB-CD1 4.36Å; E647-I650 PolarHBondContact O-N 2.94Å
648	N	95.1	Very high	96.2	Very high	106 Å²	106	52.5 Å²	52.5	57%	0.567	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-59.1	-16.8	177.1	-62.2	-67.1	0	0	0	114.3	H644 L645 P646	H644-N648 PolarHBondContact O-ND2 2.97Å; H644-N648 VanDerWaalsContact O-ND2 3.09Å; L645-N648 PolarHBondContact O-ND2 2.68Å; P646-N648 VanDerWaalsContact C-N 3.31Å; P646-N648 PolarHBondContact O-N 3.13Å
649	F	96.5	Very high	96.2	Very high	15 Å²	15	52.6 Å²	52.6	7%	0.066	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-119.1	5.6	-175.6	-59.6	-72.5	0	0	0	113.8	V557 I562 L567 T593 Y601 M610 L645 P646 E647 G651 T652	V557-F649 HydrophobicContact CB-CD1 3.88Å; V557-F649 HydrophobicContact CB-CD2 4.11Å; V557-F649 HydrophobicContact CB-CE1 4.03Å; V557-F649 HydrophobicContact CB-CE2 4.24Å; V557-F649 HydrophobicContact CB-CG 3.92Å; V557-F649 HydrophobicContact CB-CZ 4.21Å; V557-F649 HydrophobicContact CG1-CD1 4.49Å; V557-F649 HydrophobicContact CG1-CD2 3.84Å; V557-F649 HydrophobicContact CG1-CE2 3.85Å; V557-F649 HydrophobicContact CG1-CG 4.17Å; V557-F649 HydrophobicContact CG1-CZ 4.19Å; V557-F649 HydrophobicContact CG2-CD1 3.92Å; V557-F649 HydrophobicContact CG2-CE1 3.61Å; V557-F649 HydrophobicContact CG2-CE2 4.35Å; V557-F649 HydrophobicContact CG2-CG 4.42Å; V557-F649 HydrophobicContact CG2-CZ 3.84Å; I562-F649 HydrophobicContact CD1-CB 3.66Å; I562-F649 HydrophobicContact CD1-CG 4.47Å; I562-F649 HydrophobicContact CG1-CB 3.94Å; L567-F649 HydrophobicContact CD2-CD2 4.41Å; T593-F649 HydrophobicContact CG2-CE2 4.18Å; T593-F649 HydrophobicContact CG2-CZ 4.41Å; Y601-F649 WeakPolarHBondContact OH-CZ 3.28Å; M610-F649 HydrophobicContact CE-CE1 3.99Å; M610-F649 HydrophobicContact CE-CZ 3.77Å; M610-F649 HydrophobicContact SD-CZ 4.45Å; L645-F649 HydrophobicContact CD1-CE2 3.91Å; L645-F649 WeakPolarHBondContact O-CD2 3.2Å; P646-F649 PolarHBondContact O-N 3.18Å; E647-F649 PolarHBondContact O-N 2.8Å; F649-G651 PolarHBondContact O-N 2.82Å; F649-T652 WeakPolarHBondContact O-CB 3.49Å; F649-T652 WeakPolarHBondContact O-CG2 3.33Å; F649-T652 PolarHBondContact O-N 3.23Å; F649-T652 VanDerWaalsContact O-N 3.09Å
650	I	93.3	Very high	96.3	Very high	133 Å²	133	49.5 Å²	49.5	68%	0.682	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	123.1	174.1	-66	174.9	0	0	0	109.2	E647	E647-I650 HydrophobicContact CB-CD1 4.36Å; E647-I650 PolarHBondContact O-N 2.94Å
651	G	92.3	Very high	96.3	Very high	61 Å²	61	45.2 Å²	45.2	63%	0.629	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	16.6	-178.1	0	0	0	0	0	115	F649 N653	F649-G651 PolarHBondContact O-N 2.82Å; G651-N653 PolarHBondContact O-N 2.67Å; G651-N653 PolarHBondContact O-ND2 3.28Å; G651-N653 VanDerWaalsContact O-ND2 3.12Å
652	T	95.4	Very high	96.3	Very high	26 Å²	26	44.5 Å²	44.5	16%	0.16	25%	0.25	C	S	.	.			trans	-57.4	134.8	169.4	-174.1	0	0	0	0	111.3	H559 I562 F649 D654	H559-T652 PolarHBondContact CD2-O 3.46Å; I562-T652 HydrophobicContact CB-CG2 4.24Å; I562-T652 HydrophobicContact CG1-CG2 3.66Å; F649-T652 WeakPolarHBondContact O-CB 3.49Å; F649-T652 WeakPolarHBondContact O-CG2 3.33Å; F649-T652 PolarHBondContact O-N 3.23Å; F649-T652 VanDerWaalsContact O-N 3.09Å; T652-D654 PolarHBondContact OG1-N 3.48Å
653	N	95.7	Very high	96.4	Very high	138 Å²	138	44.6 Å²	44.6	74%	0.738	25%	0.251	S	S	*	.			trans	-107.4	3.8	177.7	-67.2	-78.2	0	0	0	112.5	G651 T655	G651-N653 PolarHBondContact O-N 2.67Å; G651-N653 PolarHBondContact O-ND2 3.28Å; G651-N653 VanDerWaalsContact O-ND2 3.12Å; N653-T655 PolarHBondContact O-N 2.88Å
654	D	96.8	Very high	96.5	Very high	38 Å²	38	43 Å²	43	20%	0.203	24%	0.241	C	C	.	.			trans	-76.2	121.7	-179.7	-173.7	0.5	0	0	0	110.9	S558 H559 N595 S596 T652 G656	S558-D654 CarbonylContact C-O 3.56Å; S558-D654 WeakPolarHBondContact CA-O 3.29Å; H559-D654 WeakPolarHBondContact CB-O 3.35Å; H559-D654 PolarHBondContact N-O 3.42Å; N595-D654 HydrophobicContact CB-CB 4.45Å; N595-D654 WeakPolarHBondContact CB-OD2 3.19Å; N595-D654 PolarHBondContact ND2-OD2 2.83Å; N595-D654 PolarHBondContact OD1-OD2 3.47Å; S596-D654 WeakPolarHBondContact CB-OD1 3.41Å; S596-D654 WeakPolarHBondContact CB-OD2 3.4Å; S596-D654 PolarHBondContact N-OD2 3.04Å; S596-D654 PolarHBondContact OG-OD1 2.78Å; S596-D654 PolarHBondContact OG-OD2 3.2Å; T652-D654 PolarHBondContact OG1-N 3.48Å; D654-G656 PolarHBondContact OD1-N 2.92Å
655	T	96	Very high	96.6	Very high	96 Å²	96	39 Å²	39	59%	0.589	22%	0.222	S	C	*	.			trans	-101.5	-4.6	-179.4	52	0	0	0	0	113.3	H559 N653	H559-T655 HydrophobicContact CB-CG2 4.43Å; N653-T655 PolarHBondContact O-N 2.88Å
656	G	95.9	Very high	96.6	Very high	6 Å²	6	39 Å²	39	6%	0.062	22%	0.222	C	C	.	.			trans	-76.7	154.1	179.1	0	0	0	0	0	113.2	N595 S596 D654	N595-G656 CarbonylContact C-O 3.57Å; N595-G656 VanDerWaalsContact CA-O 3.3Å; N595-G656 WeakPolarHBondContact CA-O 3.24Å; N595-G656 CarbonylContact O-C 3.55Å; S596-G656 PolarHBondContact N-O 2.62Å; S596-G656 WeakPolarHBondContact OG-CA 3.36Å; D654-G656 PolarHBondContact OD1-N 2.92Å
657	N	97.3	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.			trans	-141.2	115.5	175.7	177.5	-43.3	0	0	0	109.3	D556 N595 L659 T681 C683 P685 T686 V687	D556-N657 PolarHBondContact OD2-ND2 3.1Å; N595-N657 CarbonylContact O-C 3.24Å; N595-N657 VanDerWaalsContact O-CA 3.31Å; N595-N657 WeakPolarHBondContact O-CA 3.48Å; N657-L659 VanDerWaalsContact OD1-CB 3.24Å; N657-L659 WeakPolarHBondContact OD1-CB 3.32Å; N657-L659 PolarHBondContact OD1-N 3.34Å; N657-T681 PolarHBondContact ND2-OG1 3.24Å; N657-C683 VanDerWaalsContact CB-SG 3.58Å; N657-C683 PolarHBondContact ND2-SG 2.83Å; N657-P685 CarbonylContact O-C 3.58Å; N657-P685 WeakPolarHBondContact O-CA 3.33Å; N657-T686 PolarHBondContact N-OG1 2.92Å; N657-T686 VanDerWaalsContact N-OG1 3.15Å; N657-T686 PolarHBondContact O-N 3.28Å; N657-V687 PolarHBondContact O-N 2.9Å; N657-V687 VanDerWaalsContact O-N 3.17Å
658	C	97.8	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.			trans	-103.3	36.6	-179.5	69.9	0	0	0	0	113.8	N595 S597 L616 G660 S661 A662 V687	N595-C658 PolarHBondContact O-N 3.47Å; N595-C658 PolarHBondContact O-SG 2.79Å; S597-C658 PolarHBondContact O-SG 3.07Å; L616-C658 HydrophobicContact CD1-CB 3.74Å; L616-C658 HydrophobicContact CD2-CB 4.04Å; C658-G660 VanDerWaalsContact C-N 3.3Å; C658-G660 PolarHBondContact O-N 3.02Å; C658-G660 VanDerWaalsContact O-N 3.08Å; C658-S661 WeakPolarHBondContact O-CA 3.24Å; C658-S661 WeakPolarHBondContact O-CB 3.42Å; C658-S661 PolarHBondContact O-N 3.49Å; C658-A662 PolarHBondContact O-N 2.91Å; C658-V687 VanDerWaalsContact CA-O 3.31Å; C658-V687 WeakPolarHBondContact CA-O 3.35Å; C658-V687 HydrophobicContact CB-CB 4.4Å
659	L	98.4	Very high	96.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-42.8	-48.4	-174.9	172.3	61.3	0	0	0	114.5	F594 N657 S661 A662 L663 V679 T681 P685 Y716 M732 I745	F594-L659 HydrophobicContact CE2-CB 3.99Å; F594-L659 HydrophobicContact CE2-CD1 4.17Å; F594-L659 HydrophobicContact CZ-CD1 3.84Å; N657-L659 VanDerWaalsContact OD1-CB 3.24Å; N657-L659 WeakPolarHBondContact OD1-CB 3.32Å; N657-L659 PolarHBondContact OD1-N 3.34Å; L659-S661 VanDerWaalsContact C-N 3.35Å; L659-S661 PolarHBondContact O-N 3.49Å; L659-A662 PolarHBondContact O-N 3.49Å; L659-L663 HydrophobicContact CD1-CD1 4.11Å; L659-L663 HydrophobicContact CD1-CG 3.97Å; L659-L663 HydrophobicContact CG-CD1 4.14Å; L659-L663 HydrophobicContact CG-CG 4.42Å; L659-L663 WeakPolarHBondContact O-CB 3.37Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.45Å; L659-L663 PolarHBondContact O-N 3Å; L659-V679 HydrophobicContact CD1-CG1 3.5Å; L659-V679 VanDerWaalsContact CD1-CG1 3.5Å; L659-T681 HydrophobicContact CD2-CG2 4.47Å; L659-P685 HydrophobicContact CB-CB 4.07Å; L659-P685 HydrophobicContact CB-CG 3.85Å; L659-P685 HydrophobicContact CD2-CG 3.79Å; L659-P685 HydrophobicContact CG-CG 4.38Å; L659-Y716 HydrophobicContact CD2-CE1 4.25Å; L659-Y716 HydrophobicContact CG-CE1 4.36Å; L659-M732 HydrophobicContact CD2-CE 4.22Å; L659-I745 HydrophobicContact CD2-CB 4.4Å; L659-I745 HydrophobicContact CD2-CD1 4.45Å; L659-I745 HydrophobicContact CD2-CG2 4.2Å
660	G	97.8	Very high	96.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-33.6	-177.4	0	0	0	0	0	113.5	C658 Q664 S689 F715	C658-G660 VanDerWaalsContact C-N 3.3Å; C658-G660 PolarHBondContact O-N 3.02Å; C658-G660 VanDerWaalsContact O-N 3.08Å; G660-Q664 WeakPolarHBondContact O-CG 3.34Å; G660-Q664 PolarHBondContact O-N 3.49Å; G660-Q664 VanDerWaalsContact O-N 3.08Å; G660-S689 CarbonylContact C-O 3.59Å; G660-S689 WeakPolarHBondContact CA-O 3.32Å; G660-F715 WeakPolarHBondContact O-CZ 3.35Å
661	S	97.9	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-45.5	168.4	-69.6	0	0	0	0	111.6	L616 I619 C658 L659 L663 Q664 A665 S689	L616-S661 PolarHBondContact O-OG 2.95Å; I619-S661 VanDerWaalsContact CD1-O 3.32Å; I619-S661 WeakPolarHBondContact CD1-O 3.29Å; C658-S661 WeakPolarHBondContact O-CA 3.24Å; C658-S661 WeakPolarHBondContact O-CB 3.42Å; C658-S661 PolarHBondContact O-N 3.49Å; L659-S661 VanDerWaalsContact C-N 3.35Å; L659-S661 PolarHBondContact O-N 3.49Å; S661-L663 PolarHBondContact O-N 3.22Å; S661-Q664 PolarHBondContact O-N 3.44Å; S661-Q664 VanDerWaalsContact O-N 3.13Å; S661-A665 PolarHBondContact O-N 3.32Å; S661-S689 PolarHBondContact N-O 3.23Å; S661-S689 PolarHBondContact OG-N 2.91Å
662	A	98.2	Very high	97	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-35.1	175.2	0	0	0	0	0	112.5	M592 F594 V598 C658 L659 A666	M592-A662 WeakPolarHBondContact CE-O 3.45Å; F594-A662 HydrophobicContact CB-CB 3.71Å; F594-A662 HydrophobicContact CD1-CB 3.75Å; F594-A662 HydrophobicContact CD2-CB 4.23Å; F594-A662 HydrophobicContact CE1-CB 4.45Å; F594-A662 HydrophobicContact CG-CB 3.63Å; V598-A662 HydrophobicContact CG2-CB 4.17Å; C658-A662 PolarHBondContact O-N 2.91Å; L659-A662 PolarHBondContact O-N 3.49Å; A662-A666 VanDerWaalsContact O-CB 3.29Å; A662-A666 WeakPolarHBondContact O-CB 3.34Å; A662-A666 PolarHBondContact O-N 2.9Å
663	L	98.4	Very high	97	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-47.1	172.1	-77.4	177.3	0	0	0	112.2	L659 S661 A665 A666 L667 V679 Y716 Y719 V730 M732 A748	L659-L663 HydrophobicContact CD1-CD1 4.11Å; L659-L663 HydrophobicContact CD1-CG 3.97Å; L659-L663 HydrophobicContact CG-CD1 4.14Å; L659-L663 HydrophobicContact CG-CG 4.42Å; L659-L663 WeakPolarHBondContact O-CB 3.37Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.45Å; L659-L663 PolarHBondContact O-N 3Å; S661-L663 PolarHBondContact O-N 3.22Å; L663-A665 VanDerWaalsContact C-N 3.34Å; L663-A665 PolarHBondContact O-N 2.82Å; L663-A666 WeakPolarHBondContact O-CB 3.46Å; L663-A666 PolarHBondContact O-N 3.48Å; L663-A666 VanDerWaalsContact O-N 3.17Å; L663-L667 PolarHBondContact O-N 3.45Å; L663-V679 HydrophobicContact CD2-CG2 3.76Å; L663-Y716 HydrophobicContact CD1-CD1 3.99Å; L663-Y716 HydrophobicContact CD1-CE1 3.92Å; L663-Y719 VanDerWaalsContact C-CE2 3.45Å; L663-Y719 HydrophobicContact CB-CD1 4.39Å; L663-Y719 HydrophobicContact CB-CD2 4.37Å; L663-Y719 HydrophobicContact CB-CE1 3.86Å; L663-Y719 HydrophobicContact CB-CE2 3.84Å; L663-Y719 HydrophobicContact CD1-CD1 4.21Å; L663-Y719 HydrophobicContact CD1-CE1 4.01Å; L663-Y719 HydrophobicContact CD2-CE1 3.75Å; L663-Y719 HydrophobicContact CG-CE1 4.09Å; L663-Y719 WeakPolarHBondContact O-CE2 3.24Å; L663-Y719 PolarHBondContact O-OH 2.92Å; L663-V730 HydrophobicContact CD2-CG1 4.17Å; L663-M732 HydrophobicContact CD1-CE 4.29Å; L663-A748 HydrophobicContact CD1-CB 4.31Å
664	Q	97.7	Very high	97.1	Very high	59 Å²	59	22.3 Å²	22.3	28%	0.276	13%	0.133	S	C	.	.	H	α-helix	trans	-58.3	-44.7	175.2	-75.4	169.2	-39.1	0	0	112	I619 G660 S661 L667 K668 S689 F715	I619-Q664 HydrophobicContact CD1-CB 3.95Å; I619-Q664 VanDerWaalsContact CD1-OE1 3.24Å; G660-Q664 WeakPolarHBondContact O-CG 3.34Å; G660-Q664 PolarHBondContact O-N 3.49Å; G660-Q664 VanDerWaalsContact O-N 3.08Å; S661-Q664 PolarHBondContact O-N 3.44Å; S661-Q664 VanDerWaalsContact O-N 3.13Å; Q664-L667 PolarHBondContact O-N 3.07Å; Q664-K668 PolarHBondContact O-N 2.86Å; Q664-S689 PolarHBondContact OE1-OG 3.22Å; Q664-F715 HydrophobicContact CG-CE2 4.45Å; Q664-F715 HydrophobicContact CG-CZ 4.03Å
665	A	97.6	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.5	-47.8	172.7	0	0	0	0	0	111.9	M592 V598 Y600 I619 S661 L663 L667 K668 L669	M592-A665 HydrophobicContact CE-CB 3.48Å; M592-A665 VanDerWaalsContact CE-CB 3.48Å; V598-A665 HydrophobicContact CG1-CB 3.94Å; Y600-A665 HydrophobicContact CE1-CB 3.99Å; Y600-A665 VanDerWaalsContact OH-CB 3.28Å; Y600-A665 WeakPolarHBondContact OH-CB 3.29Å; I619-A665 HydrophobicContact CG2-CB 3.69Å; S661-A665 PolarHBondContact O-N 3.32Å; L663-A665 VanDerWaalsContact C-N 3.34Å; L663-A665 PolarHBondContact O-N 2.82Å; A665-L667 PolarHBondContact O-N 2.86Å; A665-K668 WeakPolarHBondContact O-CB 3.43Å; A665-K668 PolarHBondContact O-N 3Å; A665-K668 VanDerWaalsContact O-N 3.17Å; A665-L669 PolarHBondContact O-N 2.71Å
666	A	98	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-40.1	179.6	0	0	0	0	0	113.2	L552 M592 A662 L663 L669 I670 I677	L552-A666 HydrophobicContact CD2-CB 3.49Å; L552-A666 VanDerWaalsContact CD2-CB 3.49Å; L552-A666 HydrophobicContact CG-CB 4.49Å; M592-A666 HydrophobicContact CE-CB 4.34Å; M592-A666 HydrophobicContact SD-CB 4.07Å; A662-A666 VanDerWaalsContact O-CB 3.29Å; A662-A666 WeakPolarHBondContact O-CB 3.34Å; A662-A666 PolarHBondContact O-N 2.9Å; L663-A666 WeakPolarHBondContact O-CB 3.46Å; L663-A666 PolarHBondContact O-N 3.48Å; L663-A666 VanDerWaalsContact O-N 3.17Å; A666-L669 PolarHBondContact O-N 3.27Å; A666-I670 PolarHBondContact O-N 3.5Å; A666-I670 VanDerWaalsContact O-N 3.17Å; A666-I677 HydrophobicContact CB-CD1 3.71Å; A666-I677 HydrophobicContact CB-CG1 4.35Å; A666-I677 HydrophobicContact CB-CG2 4.4Å
667	L	97.6	Very high	97.4	Very high	14 Å²	14	15.8 Å²	15.8	7%	0.073	9%	0.093	C	C	.	.	H	α-helix	trans	-75	-26.9	175.6	-177.6	61.4	0	0	0	113.4	L663 Q664 A665 G671 Y719 D722 C723 K726 V728	L663-L667 PolarHBondContact O-N 3.45Å; Q664-L667 PolarHBondContact O-N 3.07Å; A665-L667 PolarHBondContact O-N 2.86Å; L667-G671 VanDerWaalsContact O-CA 3.31Å; L667-G671 WeakPolarHBondContact O-CA 3.48Å; L667-G671 PolarHBondContact O-N 3.33Å; L667-Y719 HydrophobicContact CB-CE2 3.58Å; L667-Y719 HydrophobicContact CD2-CD2 3.98Å; L667-Y719 HydrophobicContact CD2-CE2 3.67Å; L667-Y719 HydrophobicContact CG-CE2 4.25Å; L667-D722 HydrophobicContact CD2-CB 3.79Å; L667-C723 HydrophobicContact CD1-CB 4.45Å; L667-K726 HydrophobicContact CD1-CB 4.08Å; L667-K726 HydrophobicContact CD1-CD 3.84Å; L667-K726 HydrophobicContact CD1-CG 4.48Å; L667-K726 HydrophobicContact CG-CD 4.21Å; L667-V728 HydrophobicContact CD1-CB 4.23Å; L667-V728 HydrophobicContact CD1-CG2 3.98Å
668	K	96.4	Very high	97.5	Very high	106 Å²	106	15.8 Å²	15.8	46%	0.461	9%	0.093	S	C	.	.	H	α-helix	trans	-65	-47.4	166.4	-75.7	-172.1	177.8	-172.5	0	109.9	I619 L621 Q664 A665	I619-K668 PolarHBondContact O-NZ 3.24Å; L621-K668 HydrophobicContact CD1-CB 4.02Å; L621-K668 HydrophobicContact CD2-CB 4.1Å; L621-K668 HydrophobicContact CG-CB 3.98Å; Q664-K668 PolarHBondContact O-N 2.86Å; A665-K668 WeakPolarHBondContact O-CB 3.43Å; A665-K668 PolarHBondContact O-N 3Å; A665-K668 VanDerWaalsContact O-N 3.17Å
669	L	97.2	Very high	97.5	Very high	13 Å²	13	15.9 Å²	15.9	7%	0.068	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-64.5	-174.8	-177.3	56.5	0	0	0	113.5	L552 A590 M592 L621 L627 I628 A665 A666	L552-L669 HydrophobicContact CD1-CD2 4.35Å; L552-L669 HydrophobicContact CD2-CD2 4.19Å; A590-L669 HydrophobicContact CB-CD2 4.23Å; M592-L669 HydrophobicContact SD-CD2 4.13Å; L621-L669 HydrophobicContact CD2-CB 3.93Å; L621-L669 HydrophobicContact CD2-CD1 4.37Å; L627-L669 HydrophobicContact CB-CD1 3.85Å; L627-L669 HydrophobicContact CD1-CD1 3.75Å; L627-L669 HydrophobicContact CG-CD1 4.48Å; I628-L669 HydrophobicContact CD1-CD1 3.98Å; I628-L669 HydrophobicContact CD1-CG 4.17Å; I628-L669 HydrophobicContact CG1-CD1 3.89Å; I628-L669 HydrophobicContact CG1-CG 4.13Å; A665-L669 PolarHBondContact O-N 2.71Å; A666-L669 PolarHBondContact O-N 3.27Å
670	I	97.1	Very high	97.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-89.3	-9.6	-175	68.1	166.2	0	0	0	113.9	T550 L552 I628 A666 A672 V673 G674 I677 V728	T550-I670 HydrophobicContact CG2-CB 4.24Å; T550-I670 HydrophobicContact CG2-CG2 3.92Å; L552-I670 HydrophobicContact CB-CD1 4.21Å; L552-I670 HydrophobicContact CB-CG2 4.06Å; L552-I670 HydrophobicContact CD2-CG1 4.48Å; L552-I670 HydrophobicContact CD2-CG2 4.06Å; I628-I670 HydrophobicContact CD1-CG2 4.09Å; A666-I670 PolarHBondContact O-N 3.5Å; A666-I670 VanDerWaalsContact O-N 3.17Å; I670-A672 PolarHBondContact O-N 3Å; I670-A672 VanDerWaalsContact O-N 3.09Å; I670-V673 PolarHBondContact O-N 3.06Å; I670-G674 PolarHBondContact O-N 3.16Å; I670-I677 HydrophobicContact CD1-CG1 3.82Å; I670-I677 HydrophobicContact CG1-CG1 4.42Å; I670-V728 HydrophobicContact CD1-CG1 4.09Å; I670-V728 HydrophobicContact CD1-CG2 4.18Å; I670-V728 HydrophobicContact CG1-CG2 4.09Å
671	G	96.4	Very high	97.6	Very high	6 Å²	6	15.8 Å²	15.8	6%	0.062	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.3	-167.6	0	0	0	0	0	116.6	L667 K726	L667-G671 VanDerWaalsContact O-CA 3.31Å; L667-G671 WeakPolarHBondContact O-CA 3.48Å; L667-G671 PolarHBondContact O-N 3.33Å; G671-K726 WeakPolarHBondContact O-CB 3.41Å; G671-K726 WeakPolarHBondContact O-CD 3.24Å
672	A	94	Very high	97.5	Very high	89 Å²	89	16 Å²	16	74%	0.736	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-34.1	167.9	0	0	0	0	0	111.8	I670	I670-A672 PolarHBondContact O-N 3Å; I670-A672 VanDerWaalsContact O-N 3.09Å
673	V	95.5	Very high	97.4	Very high	37 Å²	37	16.4 Å²	16.4	22%	0.224	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-46	179.7	-176.7	0	0	0	0	110.7	R544 Q547 P548 I670	R544-V673 VanDerWaalsContact CZ-O 3.22Å; R544-V673 PolarHBondContact NH1-O 3Å; R544-V673 PolarHBondContact NH2-O 2.87Å; Q547-V673 HydrophobicContact CB-CG1 4.22Å; Q547-V673 PolarHBondContact OE1-O 2.82Å; P548-V673 HydrophobicContact CG-CG1 3.68Å; I670-V673 PolarHBondContact O-N 3.06Å
674	G	97.3	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.			trans	98.6	-171.6	-159.6	0	0	0	0	0	110.7	I670 K726 Q727	I670-G674 PolarHBondContact O-N 3.16Å; G674-K726 VanDerWaalsContact CA-O 3.28Å; G674-K726 WeakPolarHBondContact CA-O 3.4Å; G674-Q727 WeakPolarHBondContact CA-O 3.48Å
675	G	97.9	Very high	97.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.8	-146.3	174.6	0	0	0	0	0	113.2	Q547 T550 Q727 V728 G729 N847	Q547-G675 VanDerWaalsContact OE1-N 3.08Å; T550-G675 CarbonylContact O-C 3.05Å; T550-G675 VanDerWaalsContact O-CA 3.23Å; T550-G675 WeakPolarHBondContact O-CA 3.44Å; G675-Q727 PolarHBondContact N-O 3.46Å; G675-V728 WeakPolarHBondContact O-CA 3.13Å; G675-G729 PolarHBondContact O-N 3.28Å; G675-G729 VanDerWaalsContact O-N 3.08Å; G675-N847 PolarHBondContact O-ND2 3.3Å; G675-N847 PolarHBondContact O-OD1 3.21Å
676	R	98.6	Very high	97.3	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.011	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.8	-180	-175.2	177.1	77.3	167.6	-3.6	111.4	T550 Y551 L552 D731 Y807 L812 N847	T550-R676 PolarHBondContact O-N 3.49Å; Y551-R676 HydrophobicContact CD1-CB 4.06Å; Y551-R676 HydrophobicContact CE1-CB 4.37Å; L552-R676 PolarHBondContact N-O 3.47Å; R676-D731 WeakPolarHBondContact CD-OD2 3.4Å; R676-Y807 WeakPolarHBondContact CD-OH 3.43Å; R676-Y807 VanDerWaalsContact CZ-OH 3.28Å; R676-Y807 PolarHBondContact NE-OH 2.96Å; R676-Y807 VanDerWaalsContact NE-OH 3.08Å; R676-Y807 PolarHBondContact NH1-O 3.21Å; R676-Y807 PolarHBondContact NH1-OH 3.15Å; R676-L812 HydrophobicContact CB-CD2 4.47Å; R676-N847 WeakPolarHBondContact CA-OD1 3.28Å; R676-N847 VanDerWaalsContact CB-OD1 3.23Å; R676-N847 WeakPolarHBondContact CB-OD1 3.38Å; R676-N847 VanDerWaalsContact CG-OD1 3.3Å; R676-N847 WeakPolarHBondContact CG-OD1 3.35Å
677	I	98.8	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.7	167.7	-59.2	171.7	0	0	0	108.3	L552 A666 I670 V679 Y719 V728 G729 V730 D731	L552-I677 HydrophobicContact CD2-CG1 4.36Å; L552-I677 CarbonylContact O-C 3.49Å; L552-I677 WeakPolarHBondContact O-CA 3.31Å; A666-I677 HydrophobicContact CB-CD1 3.71Å; A666-I677 HydrophobicContact CB-CG1 4.35Å; A666-I677 HydrophobicContact CB-CG2 4.4Å; I670-I677 HydrophobicContact CD1-CG1 3.82Å; I670-I677 HydrophobicContact CG1-CG1 4.42Å; I677-V679 HydrophobicContact CG2-CG2 3.89Å; I677-Y719 VanDerWaalsContact CD1-OH 3.24Å; I677-Y719 WeakPolarHBondContact CD1-OH 3.47Å; I677-V728 HydrophobicContact CD1-CG1 3.58Å; I677-V728 HydrophobicContact CG1-CG1 3.68Å; I677-G729 PolarHBondContact N-O 3.35Å; I677-V730 HydrophobicContact CB-CG1 4.4Å; I677-V730 HydrophobicContact CB-CG2 4.39Å; I677-V730 HydrophobicContact CD1-CG2 4.36Å; I677-V730 HydrophobicContact CG2-CG1 4.43Å; I677-V730 WeakPolarHBondContact O-CA 3.49Å; I677-D731 PolarHBondContact O-N 3.48Å
678	T	98.9	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.9	174	-41.7	0	0	0	0	108.2	L552 F553 C554 F680 F733 Y807	L552-T678 PolarHBondContact O-N 2.69Å; F553-T678 WeakPolarHBondContact CA-O 3.48Å; F553-T678 HydrophobicContact CD1-CG2 4.05Å; F553-T678 HydrophobicContact CE1-CG2 4.21Å; C554-T678 PolarHBondContact N-O 3.36Å; T678-F680 HydrophobicContact CG2-CE2 3.7Å; T678-F680 HydrophobicContact CG2-CZ 3.87Å; T678-F733 HydrophobicContact CG2-CD2 3.96Å; T678-F733 HydrophobicContact CG2-CE2 3.91Å; T678-Y807 HydrophobicContact CG2-CD1 4.48Å; T678-Y807 HydrophobicContact CG2-CE1 3.52Å; T678-Y807 PolarHBondContact OG1-OH 3.31Å; T678-Y807 VanDerWaalsContact OG1-OH 3.14Å
679	V	98.8	Very high	97.1	Very high	1 Å²	1	18 Å²	18	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.3	-179.3	-176	0	0	0	0	110	C554 F594 L659 L663 I677 V730 D731 M732 F733	C554-V679 WeakPolarHBondContact O-CA 3.37Å; F594-V679 HydrophobicContact CZ-CG1 4.33Å; L659-V679 HydrophobicContact CD1-CG1 3.5Å; L659-V679 VanDerWaalsContact CD1-CG1 3.5Å; L663-V679 HydrophobicContact CD2-CG2 3.76Å; I677-V679 HydrophobicContact CG2-CG2 3.89Å; V679-V730 HydrophobicContact CG2-CG1 4.02Å; V679-D731 PolarHBondContact N-O 3.45Å; V679-M732 HydrophobicContact CB-CG 4.05Å; V679-M732 HydrophobicContact CG2-CG 4.39Å; V679-F733 PolarHBondContact O-N 3.2Å
680	F	98.7	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.7	166.9	-53.8	-109.4	0	0	0	108	F553 C554 F555 D556 Y566 A570 F594 T678 F733 F735 F800 F804	F553-F680 HydrophobicContact CD1-CE2 4.04Å; F553-F680 HydrophobicContact CD1-CZ 4.35Å; C554-F680 PolarHBondContact O-N 3.3Å; F555-F680 HydrophobicContact CD1-CB 4.22Å; F555-F680 HydrophobicContact CD1-CD1 4.39Å; F555-F680 AromaticContact CD1-CD2 3.37Å; F555-F680 HydrophobicContact CD1-CD2 3.37Å; F555-F680 AromaticContact CD1-CE2 3.77Å; F555-F680 HydrophobicContact CD1-CE2 3.77Å; F555-F680 AromaticContact CD1-CG 3.76Å; F555-F680 HydrophobicContact CD1-CG 3.76Å; F555-F680 HydrophobicContact CD1-CZ 4.43Å; F555-F680 HydrophobicContact CE1-CD1 4.47Å; F555-F680 AromaticContact CE1-CD2 3.57Å; F555-F680 HydrophobicContact CE1-CD2 3.57Å; F555-F680 HydrophobicContact CE1-CE1 4.34Å; F555-F680 AromaticContact CE1-CE2 3.41Å; F555-F680 HydrophobicContact CE1-CE2 3.41Å; F555-F680 VanDerWaalsContact CE1-CE2 3.41Å; F555-F680 HydrophobicContact CE1-CG 4.14Å; F555-F680 AromaticContact CE1-CZ 3.84Å; F555-F680 HydrophobicContact CE1-CZ 3.84Å; F555-F680 HydrophobicContact CG-CD2 4.25Å; F555-F680 HydrophobicContact CZ-CE2 4.19Å; D556-F680 WeakPolarHBondContact CB-O 3.46Å; D556-F680 PolarHBondContact N-O 3.1Å; Y566-F680 HydrophobicContact CD2-CB 4.3Å; Y566-F680 HydrophobicContact CD2-CD1 4.02Å; Y566-F680 HydrophobicContact CE2-CB 3.35Å; Y566-F680 AromaticContact CE2-CD1 3.65Å; Y566-F680 HydrophobicContact CE2-CD1 3.65Å; Y566-F680 AromaticContact CE2-CG 3.73Å; Y566-F680 HydrophobicContact CE2-CG 3.73Å; A570-F680 HydrophobicContact CB-CD1 4.47Å; A570-F680 HydrophobicContact CB-CE1 4.1Å; F594-F680 WeakPolarHBondContact CZ-O 3.44Å; T678-F680 HydrophobicContact CG2-CE2 3.7Å; T678-F680 HydrophobicContact CG2-CZ 3.87Å; F680-F733 WeakPolarHBondContact CA-O 3.42Å; F680-F733 HydrophobicContact CD1-CB 3.87Å; F680-F733 HydrophobicContact CD1-CG 4.34Å; F680-F733 HydrophobicContact CE1-CB 4.24Å; F680-F733 HydrophobicContact CE1-CD2 4.44Å; F680-F733 HydrophobicContact CE1-CG 4.21Å; F680-F733 HydrophobicContact CG-CB 4.38Å; F680-F735 HydrophobicContact CB-CE2 4.13Å; F680-F735 AromaticContact CD1-CE2 3.7Å; F680-F735 HydrophobicContact CD1-CE2 3.7Å; F680-F735 AromaticContact CD1-CZ 3.96Å; F680-F735 HydrophobicContact CD1-CZ 3.96Å; F680-F735 HydrophobicContact CG-CE2 4.38Å; F680-F800 HydrophobicContact CE1-CE2 4.42Å; F680-F800 HydrophobicContact CE1-CZ 4.34Å; F680-F804 HydrophobicContact CE1-CE2 4.03Å; F680-F804 HydrophobicContact CE1-CZ 4.2Å; F680-F804 AromaticContact CZ-CE2 3.63Å; F680-F804 HydrophobicContact CZ-CE2 3.63Å; F680-F804 AromaticContact CZ-CZ 3.74Å; F680-F804 HydrophobicContact CZ-CZ 3.74Å
681	T	98	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.9	-179.8	-165.6	0	0	0	0	111.9	N657 L659 F733 I734 F735 I745	N657-T681 PolarHBondContact ND2-OG1 3.24Å; L659-T681 HydrophobicContact CD2-CG2 4.47Å; T681-F733 PolarHBondContact N-O 2.7Å; T681-I734 HydrophobicContact CG2-CG1 4.14Å; T681-I734 HydrophobicContact CG2-CG2 4.47Å; T681-I734 WeakPolarHBondContact O-CA 3.08Å; T681-F735 PolarHBondContact O-N 2.99Å; T681-F735 VanDerWaalsContact O-N 3.08Å; T681-I745 HydrophobicContact CG2-CD1 4.17Å
682	T	96.9	Very high	97.2	Very high	6 Å²	6	21 Å²	21	4%	0.037	15%	0.151	C	C	.	.			trans	-130	-17.5	-169.5	70.4	0	0	0	0	114.2	D556 A561 Y566 F735 N736	D556-T682 WeakPolarHBondContact OD2-CB 3.25Å; D556-T682 PolarHBondContact OD2-N 3.27Å; D556-T682 PolarHBondContact OD2-OG1 3.18Å; A561-T682 WeakPolarHBondContact CA-OG1 3.23Å; A561-T682 HydrophobicContact CB-CG2 3.72Å; A561-T682 VanDerWaalsContact CB-OG1 3.28Å; A561-T682 WeakPolarHBondContact CB-OG1 3.4Å; A561-T682 PolarHBondContact N-OG1 3.32Å; Y566-T682 HydrophobicContact CD1-CG2 3.94Å; Y566-T682 HydrophobicContact CE1-CG2 3.93Å; T682-F735 HydrophobicContact CG2-CB 4.08Å; T682-F735 HydrophobicContact CG2-CD2 4.45Å; T682-N736 WeakPolarHBondContact O-CA 3.24Å; T682-N736 VanDerWaalsContact O-CB 3.3Å; T682-N736 WeakPolarHBondContact O-CB 3.49Å
683	C	95	Very high	97.2	Very high	8 Å²	8	20.6 Å²	20.6	5%	0.054	14%	0.143	C	C	.	.	S	Bend	trans	-136	169.2	-178.1	59.1	0	0	0	0	111.8	N560 N657 C740	N560-C683 HydrophobicContact CB-CB 4.31Å; N657-C683 VanDerWaalsContact CB-SG 3.58Å; N657-C683 PolarHBondContact ND2-SG 2.83Å; C683-C740 WeakPolarHBondContact CA-SG 3.34Å
684	L	97.7	Very high	97.2	Very high	23 Å²	23	24.8 Å²	24.8	12%	0.12	16%	0.163	C	C	.	.			trans	-60.6	134.1	174.4	-169.9	70.3	0	0	0	110.7	T686 L692 Y739 D741	L684-T686 PolarHBondContact O-N 2.7Å; L684-L692 HydrophobicContact CD1-CB 3.81Å; L684-L692 HydrophobicContact CD1-CD1 4.27Å; L684-L692 HydrophobicContact CG-CB 4.15Å; L684-Y739 HydrophobicContact CD1-CD1 4.24Å; L684-Y739 HydrophobicContact CD1-CE1 4.24Å; L684-D741 HydrophobicContact CD1-CB 3.84Å
685	P	98	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.17	C	C	.	.			trans	-63	119.8	168.7	-22.1	34.6	0	0	0	110.2	N657 L659 L692 I745	N657-P685 CarbonylContact O-C 3.58Å; N657-P685 WeakPolarHBondContact O-CA 3.33Å; L659-P685 HydrophobicContact CB-CB 4.07Å; L659-P685 HydrophobicContact CB-CG 3.85Å; L659-P685 HydrophobicContact CD2-CG 3.79Å; L659-P685 HydrophobicContact CG-CG 4.38Å; P685-L692 HydrophobicContact CG-CD1 4.46Å; P685-L692 PolarHBondContact O-N 3.45Å; P685-I745 HydrophobicContact CG-CG2 4Å
686	T	96.8	Very high	96.8	Very high	74 Å²	74	27.3 Å²	27.3	45%	0.454	17%	0.174	S	C	.	.			trans	-118	-14.9	-170.3	41.4	0	0	0	0	114.2	N657 L684	N657-T686 PolarHBondContact N-OG1 2.92Å; N657-T686 VanDerWaalsContact N-OG1 3.15Å; N657-T686 PolarHBondContact O-N 3.28Å; L684-T686 PolarHBondContact O-N 2.7Å
687	V	96.6	Very high	96.3	Very high	51 Å²	51	32.4 Å²	32.4	31%	0.309	20%	0.198	S	C	.	.	S	Bend	trans	-134	147.9	-171.9	-161.1	0	0	0	0	110.8	L616 N657 C658	L616-V687 HydrophobicContact CD1-CB 4.3Å; L616-V687 HydrophobicContact CD1-CG1 3.68Å; N657-V687 PolarHBondContact O-N 2.9Å; N657-V687 VanDerWaalsContact O-N 3.17Å; C658-V687 VanDerWaalsContact CA-O 3.31Å; C658-V687 WeakPolarHBondContact CA-O 3.35Å; C658-V687 HydrophobicContact CB-CB 4.4Å
688	G	96.2	Very high	95.6	Very high	34 Å²	34	37 Å²	37	35%	0.351	23%	0.228	S	C	.	.	S	Bend	trans	74.8	-161.3	173.9	0	0	0	0	0	114.9	G690 A691	G688-G690 PolarHBondContact O-N 3.35Å; G688-A691 WeakPolarHBondContact O-CB 3.05Å; G688-A691 PolarHBondContact O-N 2.85Å
689	S	95.6	Very high	94.8	Very high	34 Å²	34	41.3 Å²	41.3	24%	0.238	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	130	-178.6	-79.4	0	0	0	0	111.1	G660 S661 Q664 A691	G660-S689 CarbonylContact C-O 3.59Å; G660-S689 WeakPolarHBondContact CA-O 3.32Å; S661-S689 PolarHBondContact N-O 3.23Å; S661-S689 PolarHBondContact OG-N 2.91Å; Q664-S689 PolarHBondContact OE1-OG 3.22Å; S689-A691 VanDerWaalsContact C-N 3.35Å
690	G	96.1	Very high	93.8	Very high	14 Å²	14	41.6 Å²	41.6	14%	0.144	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	16.3	179.8	0	0	0	0	0	115.3	G688 L692 Y716	G688-G690 PolarHBondContact O-N 3.35Å; G690-L692 WeakPolarHBondContact O-CD2 3.42Å; G690-Y716 VanDerWaalsContact O-CE2 3.3Å; G690-Y716 WeakPolarHBondContact O-CE2 3.41Å; G690-Y716 PolarHBondContact O-OH 2.79Å
691	A	97.5	Very high	93.1	Very high	47 Å²	47	45.7 Å²	45.7	39%	0.388	27%	0.274	S	S	.	.			trans	-57.8	145.5	170.4	0	0	0	0	0	112.4	G688 S689	G688-A691 WeakPolarHBondContact O-CB 3.05Å; G688-A691 PolarHBondContact O-N 2.85Å; S689-A691 VanDerWaalsContact C-N 3.35Å
692	L	97.8	Very high	92.2	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.099	30%	0.295	C	S	.	.			trans	-125.7	157.8	-169.9	-56	-174.6	0	0	0	111.8	L684 P685 G690 T713 Y716 D741 T744 I745	L684-L692 HydrophobicContact CD1-CB 3.81Å; L684-L692 HydrophobicContact CD1-CD1 4.27Å; L684-L692 HydrophobicContact CG-CB 4.15Å; P685-L692 HydrophobicContact CG-CD1 4.46Å; P685-L692 PolarHBondContact O-N 3.45Å; G690-L692 WeakPolarHBondContact O-CD2 3.42Å; L692-T713 HydrophobicContact CD2-CG2 3.73Å; L692-Y716 HydrophobicContact CD1-CE2 4.37Å; L692-Y716 HydrophobicContact CD2-CE2 4.13Å; L692-Y716 HydrophobicContact CG-CE2 4.44Å; L692-D741 HydrophobicContact CD1-CB 3.86Å; L692-T744 HydrophobicContact CD1-CG2 3.86Å; L692-T744 HydrophobicContact CD2-CG2 3.84Å; L692-I745 HydrophobicContact CD1-CG2 3.76Å
693	S	95.4	Very high	91.4	Very high	81 Å²	81	50.3 Å²	50.3	57%	0.566	31%	0.306	S	S	*	.			trans	-107.8	150.3	174.8	59.8	0	0	0	0	112	R695	S693-R695 PolarHBondContact O-N 3.05Å
694	L	94.8	Very high	90.7	Very high	125 Å²	125	53 Å²	53	65%	0.654	32%	0.323	S	S	*	.			trans	-59.6	122.7	169.4	174.2	60.1	0	0	0	109.9	Y739	L694-Y739 HydrophobicContact CD1-CD1 3.43Å; L694-Y739 VanDerWaalsContact CD1-CD1 3.43Å; L694-Y739 HydrophobicContact CD1-CE1 4.14Å; L694-Y739 HydrophobicContact CD1-CG 3.93Å
695	R	94.3	Very high	90	Very high	35 Å²	35	57 Å²	57	13%	0.132	34%	0.344	C	S	.	.			trans	-138.9	3.8	-179.7	66.2	180	-175.7	135.3	10.5	114.7	S693 E697 H708 G710 Y739 D741 T744	S693-R695 PolarHBondContact O-N 3.05Å; R695-E697 PolarHBondContact O-N 3.17Å; R695-H708 HydrophobicContact CG-CB 4.45Å; R695-H708 PolarHBondContact NH2-O 2.91Å; R695-H708 VanDerWaalsContact NH2-O 3.09Å; R695-H708 PolarHBondContact O-CE1 2.83Å; R695-H708 PolarHBondContact O-ND1 3.48Å; R695-G710 PolarHBondContact NH1-O 3.2Å; R695-G710 PolarHBondContact NH2-O 2.87Å; R695-Y739 HydrophobicContact CG-CE1 4.17Å; R695-Y739 WeakPolarHBondContact CG-OH 3.32Å; R695-Y739 PolarHBondContact NE-OH 3.26Å; R695-D741 IonicContact CZ-OD1 3.7Å; R695-D741 IonicContact CZ-OD2 2.81Å; R695-D741 VanDerWaalsContact CZ-OD2 3.31Å; R695-D741 IonicContact NE-OD1 2.71Å; R695-D741 PolarHBondContact NE-OD1 3.11Å; R695-D741 IonicContact NE-OD2 3.27Å; R695-D741 PolarHBondContact NE-OD2 3.31Å; R695-D741 VanDerWaalsContact NH2-CG 3.33Å; R695-D741 IonicContact NH2-OD1 3.88Å; R695-D741 PolarHBondContact NH2-OD1 2.74Å; R695-D741 IonicContact NH2-OD2 3.57Å; R695-D741 PolarHBondContact NH2-OD2 2.12Å; R695-D741 VanDerWaalsContact NH2-OD2 3.12Å; R695-T744 PolarHBondContact NH2-OG1 2.76Å; R695-T744 VanDerWaalsContact NH2-OG1 3.11Å
696	E	91.9	Very high	89.3	Confident	18 Å²	18	57.3 Å²	57.3	8%	0.084	35%	0.346	C	S	.	.			trans	-75.3	115.9	167.4	-177.3	-170.8	-146.3	0	0	108.9	R701 Y739 R993 L994	E696-R701 VanDerWaalsContact CD-NE 3.3Å; E696-R701 WeakPolarHBondContact OE1-CG 3.2Å; E696-R701 IonicContact OE1-CZ 3.1Å; E696-R701 IonicContact OE1-NE 3.61Å; E696-R701 PolarHBondContact OE1-NE 3.5Å; E696-R701 IonicContact OE1-NH2 2.71Å; E696-R701 IonicContact OE2-CZ 2.9Å; E696-R701 IonicContact OE2-NE 3.27Å; E696-R701 PolarHBondContact OE2-NE 2.55Å; E696-R701 IonicContact OE2-NH2 3.45Å; E696-R701 PolarHBondContact OE2-NH2 2.96Å; E696-Y739 HydrophobicContact CB-CD2 3.79Å; E696-Y739 HydrophobicContact CB-CE2 3.85Å; E696-Y739 HydrophobicContact CB-CG 4.17Å; E696-R993 VanDerWaalsContact OE1-CA 3.29Å; E696-R993 WeakPolarHBondContact OE1-CA 3.36Å; E696-L994 HydrophobicContact CB-CB 4.35Å; E696-L994 HydrophobicContact CB-CD2 4.42Å; E696-L994 HydrophobicContact CG-CB 3.94Å; E696-L994 PolarHBondContact OE1-N 3.38Å
697	E	87.9	Confident	88.7	Confident	111 Å²	111	59.5 Å²	59.5	52%	0.519	35%	0.349	S	S	.	.			trans	-85.8	141.1	170.4	-71.8	-65.7	167.7	0	0	110.4	R695 C699 D700	R695-E697 PolarHBondContact O-N 3.17Å; E697-C699 PolarHBondContact O-N 3.2Å; E697-D700 PolarHBondContact N-OD2 2.99Å; E697-D700 WeakPolarHBondContact O-CB 3.44Å; E697-D700 PolarHBondContact O-N 3.16Å
698	P	84.8	Confident	88.4	Confident	97 Å²	97	60.3 Å²	60.3	63%	0.63	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-24	179.5	-27.6	35.7	0	0	0	114.6
699	C	81.9	Confident	88	Confident	89 Å²	89	59.2 Å²	59.2	60%	0.601	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.3	176.9	60.8	0	0	0	0	114.3	E697 R701	E697-C699 PolarHBondContact O-N 3.2Å; C699-R701 PolarHBondContact O-N 3.17Å
700	D	78.3	Confident	87.7	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.5	175.9	-82.1	-47.1	0	0	0	111.4	E697 S702 S703 V706 K707 H708	E697-D700 PolarHBondContact N-OD2 2.99Å; E697-D700 WeakPolarHBondContact O-CB 3.44Å; E697-D700 PolarHBondContact O-N 3.16Å; D700-S702 VanDerWaalsContact C-N 3.31Å; D700-S702 PolarHBondContact O-N 2.67Å; D700-S703 PolarHBondContact O-N 3.22Å; D700-V706 HydrophobicContact CB-CG1 4.25Å; D700-V706 WeakPolarHBondContact O-CG2 3.49Å; D700-K707 PolarHBondContact OD1-N 3.18Å; D700-H708 IonicContact OD2-ND1 3.95Å
701	R	82.8	Confident	87.6	Confident	86 Å²	86	61.2 Å²	61.2	33%	0.325	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-27.4	-169.3	-65.8	-176.1	172.7	166	1.6	114.9	E696 C699 T991 T992	E696-R701 VanDerWaalsContact CD-NE 3.3Å; E696-R701 WeakPolarHBondContact OE1-CG 3.2Å; E696-R701 IonicContact OE1-CZ 3.1Å; E696-R701 IonicContact OE1-NE 3.61Å; E696-R701 PolarHBondContact OE1-NE 3.5Å; E696-R701 IonicContact OE1-NH2 2.71Å; E696-R701 IonicContact OE2-CZ 2.9Å; E696-R701 IonicContact OE2-NE 3.27Å; E696-R701 PolarHBondContact OE2-NE 2.55Å; E696-R701 IonicContact OE2-NH2 3.45Å; E696-R701 PolarHBondContact OE2-NH2 2.96Å; C699-R701 PolarHBondContact O-N 3.17Å; R701-T991 CarbonylContact O-C 3.59Å; R701-T991 WeakPolarHBondContact O-CA 3.46Å; R701-T992 VanDerWaalsContact CA-O 3.31Å; R701-T992 WeakPolarHBondContact CA-O 3.46Å; R701-T992 PolarHBondContact O-N 2.99Å
702	S	80.3	Confident	87.4	Confident	65 Å²	65	61.7 Å²	61.7	46%	0.455	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-8.5	178.1	56.8	0	0	0	0	114.3	D700 G989	D700-S702 VanDerWaalsContact C-N 3.31Å; D700-S702 PolarHBondContact O-N 2.67Å; S702-G989 PolarHBondContact O-N 3.18Å
703	S	80.6	Confident	87.3	Confident	38 Å²	38	62.9 Å²	62.9	27%	0.266	36%	0.364	S	S	.	.			trans	-61.5	160.4	-176.4	-170.8	0	0	0	0	113.8	D700 D705 V706	D700-S703 PolarHBondContact O-N 3.22Å; S703-D705 WeakPolarHBondContact CB-O 3.22Å; S703-D705 PolarHBondContact OG-N 3.04Å; S703-D705 PolarHBondContact OG-O 3.38Å; S703-V706 VanDerWaalsContact O-CG2 3.29Å; S703-V706 WeakPolarHBondContact O-CG2 3.45Å
704	V	78.5	Confident	87.4	Confident	66 Å²	66	64.1 Å²	64.1	40%	0.4	36%	0.364	S	S	.	.	S	Bend	trans	-92.5	-33.4	165.3	-175.3	0	0	0	0	110.6	V706 V988	V704-V706 PolarHBondContact O-N 3.33Å; V704-V988 HydrophobicContact CB-CG1 4.37Å; V704-V988 HydrophobicContact CG1-CG1 4.36Å; V704-V988 HydrophobicContact CG2-CB 4.07Å; V704-V988 HydrophobicContact CG2-CG1 4.1Å; V704-V988 HydrophobicContact CG2-CG2 4.38Å
705	D	83.1	Confident	87.5	Confident	106 Å²	106	60 Å²	60	57%	0.567	34%	0.341	S	S	*	.	S	Bend	trans	-93.4	84.2	168.6	-172.9	40.8	0	0	0	108.3	S703	S703-D705 WeakPolarHBondContact CB-O 3.22Å; S703-D705 PolarHBondContact OG-N 3.04Å; S703-D705 PolarHBondContact OG-O 3.38Å
706	V	83.8	Confident	87.7	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.036	34%	0.335	C	S	.	.			trans	-94.3	127	179.3	179.8	0	0	0	0	108.1	D700 S703 V704 F709 L929 L994	D700-V706 HydrophobicContact CB-CG1 4.25Å; D700-V706 WeakPolarHBondContact O-CG2 3.49Å; S703-V706 VanDerWaalsContact O-CG2 3.29Å; S703-V706 WeakPolarHBondContact O-CG2 3.45Å; V704-V706 PolarHBondContact O-N 3.33Å; V706-F709 HydrophobicContact CB-CE2 3.7Å; V706-F709 HydrophobicContact CB-CZ 3.74Å; V706-F709 HydrophobicContact CG1-CE1 4.33Å; V706-F709 HydrophobicContact CG1-CE2 3.89Å; V706-F709 HydrophobicContact CG1-CZ 3.61Å; V706-F709 WeakPolarHBondContact O-CD2 3.35Å; V706-F709 WeakPolarHBondContact O-CE2 3.42Å; V706-L929 HydrophobicContact CB-CD2 4.49Å; V706-L929 HydrophobicContact CG2-CD2 3.87Å; V706-L994 HydrophobicContact CG1-CD1 4.32Å
707	K	84.8	Confident	88	Confident	121 Å²	121	62.4 Å²	62.4	53%	0.526	35%	0.352	S	S	.	.			trans	-88	-179.6	-176.6	-66.8	177	-177	172.8	0	111.9	D700 F709	D700-K707 PolarHBondContact OD1-N 3.18Å; K707-F709 VanDerWaalsContact C-N 3.28Å; K707-F709 PolarHBondContact O-N 3.25Å
708	H	90	Very high	88.4	Confident	67 Å²	67	60.1 Å²	60.1	31%	0.31	35%	0.346	S	S	.	.			trans	63.9	15.9	164.4	-49.8	125.4	0	0	0	117.7	R695 D700 G710 A743 L994	R695-H708 HydrophobicContact CG-CB 4.45Å; R695-H708 PolarHBondContact NH2-O 2.91Å; R695-H708 VanDerWaalsContact NH2-O 3.09Å; R695-H708 PolarHBondContact O-CE1 2.83Å; R695-H708 PolarHBondContact O-ND1 3.48Å; D700-H708 IonicContact OD2-ND1 3.95Å; H708-G710 PolarHBondContact O-N 3.03Å; H708-A743 WeakPolarHBondContact O-CB 3Å; H708-L994 HydrophobicContact CB-CD2 3.74Å
709	F	88.3	Confident	89.1	Confident	11 Å²	11	56 Å²	56	5%	0.048	32%	0.318	C	S	.	.			trans	-62.6	-24.4	167.8	-66.9	-62.6	0	0	0	114.7	V706 K707 T924 L929 L994 R997 L1001	V706-F709 HydrophobicContact CB-CE2 3.7Å; V706-F709 HydrophobicContact CB-CZ 3.74Å; V706-F709 HydrophobicContact CG1-CE1 4.33Å; V706-F709 HydrophobicContact CG1-CE2 3.89Å; V706-F709 HydrophobicContact CG1-CZ 3.61Å; V706-F709 WeakPolarHBondContact O-CD2 3.35Å; V706-F709 WeakPolarHBondContact O-CE2 3.42Å; K707-F709 VanDerWaalsContact C-N 3.28Å; K707-F709 PolarHBondContact O-N 3.25Å; F709-T924 HydrophobicContact CD1-CG2 3.87Å; F709-T924 HydrophobicContact CD2-CG2 3.71Å; F709-T924 HydrophobicContact CE1-CG2 3.78Å; F709-T924 HydrophobicContact CE2-CG2 3.61Å; F709-T924 HydrophobicContact CG-CG2 3.84Å; F709-T924 HydrophobicContact CZ-CG2 3.65Å; F709-L929 HydrophobicContact CE2-CB 3.88Å; F709-L929 HydrophobicContact CZ-CB 4.13Å; F709-L994 HydrophobicContact CD1-CD1 4.42Å; F709-L994 HydrophobicContact CE1-CD1 4.39Å; F709-R997 VanDerWaalsContact CE1-CD 3.42Å; F709-R997 HydrophobicContact CE1-CG 3.99Å; F709-R997 HydrophobicContact CZ-CG 4.49Å; F709-L1001 HydrophobicContact CD1-CD1 3.75Å; F709-L1001 HydrophobicContact CE1-CD1 3.91Å
710	G	88.3	Confident	89.8	Confident	34 Å²	34	51.8 Å²	51.8	35%	0.351	29%	0.29	S	S	.	.	S	Bend	trans	-78.8	143.5	171.2	0	0	0	0	0	111	R695 H708	R695-G710 PolarHBondContact NH1-O 3.2Å; R695-G710 PolarHBondContact NH2-O 2.87Å; H708-G710 PolarHBondContact O-N 3.03Å
711	A	93.6	Very high	90.7	Very high	57 Å²	57	53.4 Å²	53.4	47%	0.471	30%	0.298	S	S	.	.			trans	-57.9	140.1	173.4	0	0	0	0	0	111.1	T713 T744	A711-T713 VanDerWaalsContact C-N 3.33Å; A711-T713 WeakPolarHBondContact CB-O 3.46Å; A711-T744 WeakPolarHBondContact CA-OG1 3.03Å; A711-T744 HydrophobicContact CB-CG2 4.2Å
712	S	94.5	Very high	91.4	Very high	57 Å²	57	53 Å²	53	40%	0.399	30%	0.302	S	S	.	.	S	Bend	trans	-75.2	-22.8	177.7	46.8	0	0	0	0	113.1	D741 T744	S712-D741 PolarHBondContact OG-OD2 3.28Å; S712-D741 VanDerWaalsContact OG-OD2 3.08Å; S712-T744 PolarHBondContact N-OG1 3.08Å; S712-T744 PolarHBondContact OG-OG1 3.41Å
713	T	96.2	Very high	92.3	Very high	44 Å²	44	49.9 Å²	49.9	27%	0.27	28%	0.28	S	S	.	.			trans	-139.3	151.4	173.3	175	0	0	0	0	110	L692 A711 F715 Y716 T744	L692-T713 HydrophobicContact CD2-CG2 3.73Å; A711-T713 VanDerWaalsContact C-N 3.33Å; A711-T713 WeakPolarHBondContact CB-O 3.46Å; T713-F715 VanDerWaalsContact C-N 3.31Å; T713-F715 HydrophobicContact CG2-CB 3.96Å; T713-F715 WeakPolarHBondContact OG1-CB 3.15Å; T713-F715 PolarHBondContact OG1-N 3.27Å; T713-F715 VanDerWaalsContact OG1-N 3.13Å; T713-Y716 HydrophobicContact CG2-CD2 4.02Å; T713-Y716 HydrophobicContact CG2-CE2 4.14Å; T713-T744 HydrophobicContact CG2-CG2 3.85Å
714	D	96.5	Very high	93	Very high	107 Å²	107	48.1 Å²	48.1	57%	0.572	27%	0.268	S	S	*	.	S	Bend	trans	-81.5	-8.2	171.7	68	-31	0	0	0	113.3	Y716 K717 T718	D714-Y716 PolarHBondContact O-N 2.92Å; D714-K717 WeakPolarHBondContact O-CA 3.36Å; D714-K717 WeakPolarHBondContact O-CB 3.48Å; D714-K717 PolarHBondContact O-N 3.12Å; D714-T718 PolarHBondContact O-N 2.72Å; D714-T718 PolarHBondContact O-OG1 2.88Å
715	F	98	Very high	93.8	Very high	37 Å²	37	49.9 Å²	49.9	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-44	-55.3	-179.6	176	-92.6	0	0	0	113.6	G660 Q664 T713 K717 T718 Y719	G660-F715 WeakPolarHBondContact O-CZ 3.35Å; Q664-F715 HydrophobicContact CG-CE2 4.45Å; Q664-F715 HydrophobicContact CG-CZ 4.03Å; T713-F715 VanDerWaalsContact C-N 3.31Å; T713-F715 HydrophobicContact CG2-CB 3.96Å; T713-F715 WeakPolarHBondContact OG1-CB 3.15Å; T713-F715 PolarHBondContact OG1-N 3.27Å; T713-F715 VanDerWaalsContact OG1-N 3.13Å; F715-K717 VanDerWaalsContact C-N 3.25Å; F715-K717 PolarHBondContact O-N 3.21Å; F715-T718 PolarHBondContact O-N 3.43Å; F715-Y719 WeakPolarHBondContact O-CB 3.04Å; F715-Y719 PolarHBondContact O-N 2.86Å
716	Y	98.3	Very high	94.5	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-26.7	-177.7	-66	-87	0	0	0	113	L659 L663 G690 L692 T713 D714 A720 T744 I745 G747 A748	L659-Y716 HydrophobicContact CD2-CE1 4.25Å; L659-Y716 HydrophobicContact CG-CE1 4.36Å; L663-Y716 HydrophobicContact CD1-CD1 3.99Å; L663-Y716 HydrophobicContact CD1-CE1 3.92Å; G690-Y716 VanDerWaalsContact O-CE2 3.3Å; G690-Y716 WeakPolarHBondContact O-CE2 3.41Å; G690-Y716 PolarHBondContact O-OH 2.79Å; L692-Y716 HydrophobicContact CD1-CE2 4.37Å; L692-Y716 HydrophobicContact CD2-CE2 4.13Å; L692-Y716 HydrophobicContact CG-CE2 4.44Å; T713-Y716 HydrophobicContact CG2-CD2 4.02Å; T713-Y716 HydrophobicContact CG2-CE2 4.14Å; D714-Y716 PolarHBondContact O-N 2.92Å; Y716-A720 WeakPolarHBondContact O-CB 3.38Å; Y716-A720 PolarHBondContact O-N 3.09Å; Y716-T744 HydrophobicContact CD2-CG2 3.7Å; Y716-T744 HydrophobicContact CE2-CG2 4.07Å; Y716-I745 HydrophobicContact CD1-CB 4.46Å; Y716-I745 HydrophobicContact CD1-CG2 4.44Å; Y716-I745 HydrophobicContact CE1-CB 4.37Å; Y716-I745 HydrophobicContact CE1-CG2 3.98Å; Y716-I745 HydrophobicContact CE2-CG2 4.17Å; Y716-G747 CarbonylContact O-C 3.51Å; Y716-A748 HydrophobicContact CD1-CB 4.3Å; Y716-A748 WeakPolarHBondContact O-CA 3.42Å; Y716-A748 PolarHBondContact O-N 2.85Å
717	K	97	Very high	95.1	Very high	104 Å²	104	50.8 Å²	50.8	45%	0.452	27%	0.271	S	S	.	.	H	α-helix	trans	-74.6	-48.7	172.7	172.6	-173.8	173.7	-164.2	0	110.5	D714 F715 Y719 A720 L721 Y751	D714-K717 WeakPolarHBondContact O-CA 3.36Å; D714-K717 WeakPolarHBondContact O-CB 3.48Å; D714-K717 PolarHBondContact O-N 3.12Å; F715-K717 VanDerWaalsContact C-N 3.25Å; F715-K717 PolarHBondContact O-N 3.21Å; K717-Y719 PolarHBondContact O-N 2.86Å; K717-A720 WeakPolarHBondContact O-CB 3.47Å; K717-A720 PolarHBondContact O-N 3.13Å; K717-A720 VanDerWaalsContact O-N 3.12Å; K717-L721 WeakPolarHBondContact O-CG 3.26Å; K717-L721 PolarHBondContact O-N 2.95Å; K717-L721 VanDerWaalsContact O-N 3.07Å; K717-Y751 HydrophobicContact CB-CD2 3.92Å; K717-Y751 HydrophobicContact CB-CE2 4.06Å; K717-Y751 HydrophobicContact CD-CE2 4.18Å; K717-Y751 HydrophobicContact CG-CD2 3.7Å; K717-Y751 HydrophobicContact CG-CE2 3.85Å; K717-Y751 HydrophobicContact CG-CG 4.35Å
718	T	97.7	Very high	95.7	Very high	63 Å²	63	45 Å²	45	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-46.6	178.9	-61	0	0	0	0	110.9	D714 F715 A720 L721 D722	D714-T718 PolarHBondContact O-N 2.72Å; D714-T718 PolarHBondContact O-OG1 2.88Å; F715-T718 PolarHBondContact O-N 3.43Å; T718-A720 VanDerWaalsContact C-N 3.3Å; T718-A720 PolarHBondContact O-N 2.89Å; T718-L721 WeakPolarHBondContact O-CB 3.48Å; T718-L721 PolarHBondContact O-N 3.43Å; T718-D722 PolarHBondContact O-N 2.97Å; T718-D722 VanDerWaalsContact O-N 3.15Å
719	Y	98.1	Very high	96.1	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-52.8	-43.1	171.8	173.1	-101	0	0	0	113.3	L663 L667 I677 F715 K717 L721 D722 C723 V730 A748	L663-Y719 VanDerWaalsContact C-CE2 3.45Å; L663-Y719 HydrophobicContact CB-CD1 4.39Å; L663-Y719 HydrophobicContact CB-CD2 4.37Å; L663-Y719 HydrophobicContact CB-CE1 3.86Å; L663-Y719 HydrophobicContact CB-CE2 3.84Å; L663-Y719 HydrophobicContact CD1-CD1 4.21Å; L663-Y719 HydrophobicContact CD1-CE1 4.01Å; L663-Y719 HydrophobicContact CD2-CE1 3.75Å; L663-Y719 HydrophobicContact CG-CE1 4.09Å; L663-Y719 WeakPolarHBondContact O-CE2 3.24Å; L663-Y719 PolarHBondContact O-OH 2.92Å; L667-Y719 HydrophobicContact CB-CE2 3.58Å; L667-Y719 HydrophobicContact CD2-CD2 3.98Å; L667-Y719 HydrophobicContact CD2-CE2 3.67Å; L667-Y719 HydrophobicContact CG-CE2 4.25Å; I677-Y719 VanDerWaalsContact CD1-OH 3.24Å; I677-Y719 WeakPolarHBondContact CD1-OH 3.47Å; F715-Y719 WeakPolarHBondContact O-CB 3.04Å; F715-Y719 PolarHBondContact O-N 2.86Å; K717-Y719 PolarHBondContact O-N 2.86Å; Y719-L721 VanDerWaalsContact C-N 3.33Å; Y719-L721 PolarHBondContact O-N 2.94Å; Y719-D722 PolarHBondContact O-N 3.33Å; Y719-C723 WeakPolarHBondContact CE1-SG 3.47Å; Y719-C723 PolarHBondContact O-N 3.37Å; Y719-C723 PolarHBondContact O-SG 3.08Å; Y719-V730 HydrophobicContact CE1-CG2 4.01Å; Y719-A748 HydrophobicContact CD1-CB 4.3Å
720	A	98.1	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.3	-25.7	177.4	0	0	0	0	0	114.1	Y716 K717 T718 S724 G747 A748	Y716-A720 WeakPolarHBondContact O-CB 3.38Å; Y716-A720 PolarHBondContact O-N 3.09Å; K717-A720 WeakPolarHBondContact O-CB 3.47Å; K717-A720 PolarHBondContact O-N 3.13Å; K717-A720 VanDerWaalsContact O-N 3.12Å; T718-A720 VanDerWaalsContact C-N 3.3Å; T718-A720 PolarHBondContact O-N 2.89Å; A720-S724 VanDerWaalsContact O-CB 3.29Å; A720-S724 WeakPolarHBondContact O-CB 3.29Å; A720-S724 PolarHBondContact O-N 3.13Å; A720-S724 PolarHBondContact O-OG 3.28Å; A720-G747 WeakPolarHBondContact CB-O 3.33Å; A720-A748 WeakPolarHBondContact CB-O 3.3Å
721	L	96.8	Very high	97.1	Very high	41 Å²	41	39.9 Å²	39.9	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-68.9	-40.4	170.6	-60.5	-178.2	0	0	0	110.9	K717 T718 Y719 S724 H725 F836	K717-L721 WeakPolarHBondContact O-CG 3.26Å; K717-L721 PolarHBondContact O-N 2.95Å; K717-L721 VanDerWaalsContact O-N 3.07Å; T718-L721 WeakPolarHBondContact O-CB 3.48Å; T718-L721 PolarHBondContact O-N 3.43Å; Y719-L721 VanDerWaalsContact C-N 3.33Å; Y719-L721 PolarHBondContact O-N 2.94Å; L721-S724 CarbonylContact O-C 3.56Å; L721-S724 WeakPolarHBondContact O-CA 3.42Å; L721-S724 WeakPolarHBondContact O-CB 3.41Å; L721-S724 PolarHBondContact O-N 3.2Å; L721-S724 VanDerWaalsContact O-N 3.11Å; L721-H725 PolarHBondContact O-N 2.98Å; L721-H725 PolarHBondContact O-ND1 2.87Å; L721-F836 HydrophobicContact CD2-CD1 4.39Å; L721-F836 HydrophobicContact CD2-CD2 3.37Å; L721-F836 HydrophobicContact CD2-CE1 4.32Å; L721-F836 HydrophobicContact CD2-CE2 3.31Å; L721-F836 HydrophobicContact CD2-CG 3.96Å; L721-F836 HydrophobicContact CD2-CZ 3.82Å
722	D	97.6	Very high	97.3	Very high	77 Å²	77	37.2 Å²	37.2	41%	0.412	19%	0.19	S	C	.	.	H	α-helix	trans	-70.2	-39.3	177	-66.6	-29.3	0	0	0	112.3	L667 T718 Y719 S724 H725 K726	L667-D722 HydrophobicContact CD2-CB 3.79Å; T718-D722 PolarHBondContact O-N 2.97Å; T718-D722 VanDerWaalsContact O-N 3.15Å; Y719-D722 PolarHBondContact O-N 3.33Å; D722-S724 PolarHBondContact O-N 2.95Å; D722-H725 PolarHBondContact O-N 3.08Å; D722-H725 VanDerWaalsContact O-N 3.08Å; D722-H725 IonicContact OD1-ND1 2.72Å; D722-K726 PolarHBondContact O-N 3.05Å
723	C	98.2	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-53.9	-44	164.9	-66.2	0	0	0	0	111.1	L667 Y719 H725 K726 Q727 V728 V730	L667-C723 HydrophobicContact CD1-CB 4.45Å; Y719-C723 WeakPolarHBondContact CE1-SG 3.47Å; Y719-C723 PolarHBondContact O-N 3.37Å; Y719-C723 PolarHBondContact O-SG 3.08Å; C723-H725 VanDerWaalsContact C-N 3.28Å; C723-H725 PolarHBondContact O-N 3.2Å; C723-K726 CarbonylContact O-C 3.55Å; C723-K726 PolarHBondContact O-N 3.4Å; C723-Q727 PolarHBondContact O-N 3.06Å; C723-V728 CarbonylContact C-O 3.52Å; C723-V728 HydrophobicContact CB-CB 4.14Å; C723-V728 HydrophobicContact CB-CG1 4.48Å; C723-V728 WeakPolarHBondContact CB-O 3.15Å; C723-V728 PolarHBondContact O-N 3.28Å; C723-V730 HydrophobicContact CB-CG2 4.39Å
724	S	96.1	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-71.3	-13.5	177.4	-66.3	0	0	0	0	115.4	A720 L721 D722 Q727 Y751 R838	A720-S724 VanDerWaalsContact O-CB 3.29Å; A720-S724 WeakPolarHBondContact O-CB 3.29Å; A720-S724 PolarHBondContact O-N 3.13Å; A720-S724 PolarHBondContact O-OG 3.28Å; L721-S724 CarbonylContact O-C 3.56Å; L721-S724 WeakPolarHBondContact O-CA 3.42Å; L721-S724 WeakPolarHBondContact O-CB 3.41Å; L721-S724 PolarHBondContact O-N 3.2Å; L721-S724 VanDerWaalsContact O-N 3.11Å; D722-S724 PolarHBondContact O-N 2.95Å; S724-Q727 PolarHBondContact O-NE2 3.38Å; S724-Y751 PolarHBondContact OG-O 3.49Å; S724-R838 PolarHBondContact O-NH2 2.8Å
725	H	95	Very high	97.6	Very high	104 Å²	104	27.3 Å²	27.3	48%	0.481	13%	0.132	S	C	.	.	H	α-helix	trans	-84.8	-46.3	165.6	-68.8	116.8	0	0	0	110.7	L721 D722 C723 Q727 R838	L721-H725 PolarHBondContact O-N 2.98Å; L721-H725 PolarHBondContact O-ND1 2.87Å; D722-H725 PolarHBondContact O-N 3.08Å; D722-H725 VanDerWaalsContact O-N 3.08Å; D722-H725 IonicContact OD1-ND1 2.72Å; C723-H725 VanDerWaalsContact C-N 3.28Å; C723-H725 PolarHBondContact O-N 3.2Å; H725-Q727 PolarHBondContact O-N 2.82Å; H725-Q727 PolarHBondContact O-NE2 3.03Å; H725-R838 PolarHBondContact CD2-NH1 2.87Å; H725-R838 PolarHBondContact CD2-NH2 2.98Å; H725-R838 PolarHBondContact NE2-NH1 2.84Å; H725-R838 PolarHBondContact NE2-NH2 3.16Å
726	K	96.7	Very high	97.5	Very high	92 Å²	92	25.7 Å²	25.7	40%	0.4	12%	0.124	S	C	.	.	H	α-helix	trans	-79.3	5.3	-177.5	-68.5	-171.1	169	-164	0	115.4	L667 G671 G674 D722 C723 V728	L667-K726 HydrophobicContact CD1-CB 4.08Å; L667-K726 HydrophobicContact CD1-CD 3.84Å; L667-K726 HydrophobicContact CD1-CG 4.48Å; L667-K726 HydrophobicContact CG-CD 4.21Å; G671-K726 WeakPolarHBondContact O-CB 3.41Å; G671-K726 WeakPolarHBondContact O-CD 3.24Å; G674-K726 VanDerWaalsContact CA-O 3.28Å; G674-K726 WeakPolarHBondContact CA-O 3.4Å; D722-K726 PolarHBondContact O-N 3.05Å; C723-K726 CarbonylContact O-C 3.55Å; C723-K726 PolarHBondContact O-N 3.4Å; K726-V728 VanDerWaalsContact C-N 3.3Å; K726-V728 HydrophobicContact CB-CG2 4.37Å; K726-V728 PolarHBondContact O-N 3.41Å
727	Q	97.2	Very high	97.2	Very high	39 Å²	39	28.9 Å²	28.9	18%	0.182	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	38.3	-179.7	-48.3	-50.3	-63.1	0	0	113.6	G674 G675 C723 S724 H725 E815	G674-Q727 WeakPolarHBondContact CA-O 3.48Å; G675-Q727 PolarHBondContact N-O 3.46Å; C723-Q727 PolarHBondContact O-N 3.06Å; S724-Q727 PolarHBondContact O-NE2 3.38Å; H725-Q727 PolarHBondContact O-N 2.82Å; H725-Q727 PolarHBondContact O-NE2 3.03Å; Q727-E815 HydrophobicContact CB-CB 3.88Å; Q727-E815 HydrophobicContact CG-CB 3.84Å
728	V	98.4	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.2	173.4	177.1	0	0	0	0	109.4	L667 I670 G675 I677 C723 K726 V730 P846	L667-V728 HydrophobicContact CD1-CB 4.23Å; L667-V728 HydrophobicContact CD1-CG2 3.98Å; I670-V728 HydrophobicContact CD1-CG1 4.09Å; I670-V728 HydrophobicContact CD1-CG2 4.18Å; I670-V728 HydrophobicContact CG1-CG2 4.09Å; G675-V728 WeakPolarHBondContact O-CA 3.13Å; I677-V728 HydrophobicContact CD1-CG1 3.58Å; I677-V728 HydrophobicContact CG1-CG1 3.68Å; C723-V728 CarbonylContact C-O 3.52Å; C723-V728 HydrophobicContact CB-CB 4.14Å; C723-V728 HydrophobicContact CB-CG1 4.48Å; C723-V728 WeakPolarHBondContact CB-O 3.15Å; C723-V728 PolarHBondContact O-N 3.28Å; K726-V728 VanDerWaalsContact C-N 3.3Å; K726-V728 HydrophobicContact CB-CG2 4.37Å; K726-V728 PolarHBondContact O-N 3.41Å; V728-V730 HydrophobicContact CG1-CG2 4.49Å; V728-P846 WeakPolarHBondContact O-CB 3.43Å
729	G	98.1	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	151.4	165.6	0	0	0	0	0	111.4	G675 I677 S752 N847	G675-G729 PolarHBondContact O-N 3.28Å; G675-G729 VanDerWaalsContact O-N 3.08Å; I677-G729 PolarHBondContact N-O 3.35Å; G729-S752 WeakPolarHBondContact CA-O 3.4Å; G729-N847 WeakPolarHBondContact CA-OD1 3.3Å
730	V	98.7	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.4	-176.8	-171.6	0	0	0	0	110.5	L663 I677 V679 Y719 C723 V728 A748 S749 S752 G754	L663-V730 HydrophobicContact CD2-CG1 4.17Å; I677-V730 HydrophobicContact CB-CG1 4.4Å; I677-V730 HydrophobicContact CB-CG2 4.39Å; I677-V730 HydrophobicContact CD1-CG2 4.36Å; I677-V730 HydrophobicContact CG2-CG1 4.43Å; I677-V730 WeakPolarHBondContact O-CA 3.49Å; V679-V730 HydrophobicContact CG2-CG1 4.02Å; Y719-V730 HydrophobicContact CE1-CG2 4.01Å; C723-V730 HydrophobicContact CB-CG2 4.39Å; V728-V730 HydrophobicContact CG1-CG2 4.49Å; V730-A748 HydrophobicContact CG1-CB 4.37Å; V730-S749 WeakPolarHBondContact O-CA 3.5Å; V730-S749 WeakPolarHBondContact O-CB 3.41Å; V730-S749 PolarHBondContact O-OG 2.98Å; V730-S752 WeakPolarHBondContact CB-OG 3.31Å; V730-S752 PolarHBondContact N-OG 2.65Å; V730-G754 WeakPolarHBondContact O-CA 3.13Å
731	D	98.4	Very high	96.7	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.4	171.6	-64.9	-64	0	0	0	110.5	R676 I677 V679 G754 T755 Y807 R810	R676-D731 WeakPolarHBondContact CD-OD2 3.4Å; I677-D731 PolarHBondContact O-N 3.48Å; V679-D731 PolarHBondContact N-O 3.45Å; D731-G754 WeakPolarHBondContact OD1-CA 3.36Å; D731-T755 WeakPolarHBondContact CA-O 3.34Å; D731-T755 PolarHBondContact OD1-N 2.73Å; D731-T755 PolarHBondContact OD1-OG1 3.23Å; D731-Y807 HydrophobicContact CB-CE2 3.73Å; D731-Y807 VanDerWaalsContact CB-OH 3.26Å; D731-Y807 WeakPolarHBondContact CB-OH 3.32Å; D731-Y807 VanDerWaalsContact CG-CE2 3.48Å; D731-Y807 VanDerWaalsContact CG-OH 3.3Å; D731-Y807 WeakPolarHBondContact OD2-CE2 3.5Å; D731-Y807 VanDerWaalsContact OD2-CZ 3.28Å; D731-Y807 PolarHBondContact OD2-OH 2.79Å; D731-R810 IonicContact OD1-NH2 2.94Å; D731-R810 IonicContact OD2-NH2 2.73Å
732	M	98.3	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.4	-178.5	-78.1	179.2	160.8	0	0	111.4	L659 L663 V679 I734 I745 A748 T755 V756 H757	L659-M732 HydrophobicContact CD2-CE 4.22Å; L663-M732 HydrophobicContact CD1-CE 4.29Å; V679-M732 HydrophobicContact CB-CG 4.05Å; V679-M732 HydrophobicContact CG2-CG 4.39Å; M732-I734 HydrophobicContact CB-CD1 4.48Å; M732-I734 HydrophobicContact CB-CG1 4.36Å; M732-I745 HydrophobicContact CE-CB 4.36Å; M732-I745 WeakPolarHBondContact CE-O 3.35Å; M732-I745 HydrophobicContact SD-CB 4.49Å; M732-A748 HydrophobicContact CE-CB 3.63Å; M732-A748 HydrophobicContact SD-CB 4.4Å; M732-T755 PolarHBondContact N-O 3.28Å; M732-V756 HydrophobicContact CB-CG2 4.49Å; M732-V756 CarbonylContact O-C 3.43Å; M732-V756 WeakPolarHBondContact O-CA 3.44Å; M732-H757 PolarHBondContact O-N 2.72Å
733	F	98.5	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.8	170	-73.7	-103.2	0	0	0	108.8	T678 V679 F680 T681 F735 H757 Y759 F800 F804 Y807	T678-F733 HydrophobicContact CG2-CD2 3.96Å; T678-F733 HydrophobicContact CG2-CE2 3.91Å; V679-F733 PolarHBondContact O-N 3.2Å; F680-F733 WeakPolarHBondContact CA-O 3.42Å; F680-F733 HydrophobicContact CD1-CB 3.87Å; F680-F733 HydrophobicContact CD1-CG 4.34Å; F680-F733 HydrophobicContact CE1-CB 4.24Å; F680-F733 HydrophobicContact CE1-CD2 4.44Å; F680-F733 HydrophobicContact CE1-CG 4.21Å; F680-F733 HydrophobicContact CG-CB 4.38Å; T681-F733 PolarHBondContact N-O 2.7Å; F733-F735 HydrophobicContact CB-CE2 3.52Å; F733-F735 HydrophobicContact CB-CZ 3.7Å; F733-F735 HydrophobicContact CD1-CZ 4.27Å; F733-F735 HydrophobicContact CG-CZ 4.44Å; F733-H757 WeakPolarHBondContact CA-O 3.48Å; F733-H757 HydrophobicContact CD1-CB 3.78Å; F733-H757 HydrophobicContact CE1-CB 3.89Å; F733-H757 AromaticContact CE1-CG 3.8Å; F733-H757 AromaticContact CE2-CD2 3.88Å; F733-H757 HydrophobicContact CG-CB 4.19Å; F733-H757 HydrophobicContact CZ-CB 4.4Å; F733-H757 AromaticContact CZ-CD2 3.75Å; F733-H757 AromaticContact CZ-CG 3.9Å; F733-Y759 AromaticContact CD1-CE2 3.93Å; F733-Y759 HydrophobicContact CD1-CE2 3.93Å; F733-Y759 HydrophobicContact CE1-CE2 4.45Å; F733-F800 HydrophobicContact CD1-CD2 4Å; F733-F800 AromaticContact CD1-CE2 3.74Å; F733-F800 HydrophobicContact CD1-CE2 3.74Å; F733-F800 HydrophobicContact CE1-CD2 4.25Å; F733-F800 HydrophobicContact CE1-CE2 4.04Å; F733-F804 HydrophobicContact CE1-CB 4.49Å; F733-F804 HydrophobicContact CE1-CD2 4.03Å; F733-F804 HydrophobicContact CE2-CD2 4.44Å; F733-F804 AromaticContact CZ-CD2 3.88Å; F733-F804 HydrophobicContact CZ-CD2 3.88Å; F733-Y807 AromaticContact CE2-CD1 3.98Å; F733-Y807 HydrophobicContact CE2-CD1 3.98Å; F733-Y807 AromaticContact CE2-CD2 3.93Å; F733-Y807 HydrophobicContact CE2-CD2 3.93Å; F733-Y807 HydrophobicContact CE2-CE1 4.01Å; F733-Y807 AromaticContact CE2-CE2 3.95Å; F733-Y807 HydrophobicContact CE2-CE2 3.95Å; F733-Y807 AromaticContact CE2-CG 3.97Å; F733-Y807 HydrophobicContact CE2-CG 3.97Å; F733-Y807 AromaticContact CZ-CD1 3.94Å; F733-Y807 HydrophobicContact CZ-CD1 3.94Å; F733-Y807 AromaticContact CZ-CD2 3.79Å; F733-Y807 HydrophobicContact CZ-CD2 3.79Å; F733-Y807 HydrophobicContact CZ-CE1 4.43Å; F733-Y807 HydrophobicContact CZ-CE2 4.29Å; F733-Y807 AromaticContact CZ-CG 3.62Å; F733-Y807 HydrophobicContact CZ-CG 3.62Å
734	I	98.4	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.3	-169	-50.5	-179.6	0	0	0	109.7	T681 M732 N736 I742 I745 V756 H757 Y759	T681-I734 HydrophobicContact CG2-CG1 4.14Å; T681-I734 HydrophobicContact CG2-CG2 4.47Å; T681-I734 WeakPolarHBondContact O-CA 3.08Å; M732-I734 HydrophobicContact CB-CD1 4.48Å; M732-I734 HydrophobicContact CB-CG1 4.36Å; I734-N736 HydrophobicContact CG2-CB 4.22Å; I734-I742 HydrophobicContact CD1-CD1 3.94Å; I734-I742 HydrophobicContact CD1-CG1 3.89Å; I734-I742 HydrophobicContact CD1-CG2 4.41Å; I734-I742 HydrophobicContact CG2-CD1 4.02Å; I734-I742 HydrophobicContact CG2-CG1 4.4Å; I734-I745 HydrophobicContact CD1-CD1 4.05Å; I734-V756 HydrophobicContact CD1-CG1 3.76Å; I734-V756 HydrophobicContact CG1-CG1 4.45Å; I734-H757 PolarHBondContact N-O 3.38Å; I734-Y759 PolarHBondContact O-N 2.68Å
735	F	97.1	Very high	96.8	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.109	C	C	.	.			trans	-115.4	38.4	-169.1	-54.8	-90.9	0	0	0	112.8	Y566 F680 T681 T682 F733 Y759 F762 F800	Y566-F735 AromaticContact CD2-CD2 3.91Å; Y566-F735 HydrophobicContact CD2-CD2 3.91Å; Y566-F735 AromaticContact CD2-CE2 3.65Å; Y566-F735 HydrophobicContact CD2-CE2 3.65Å; Y566-F735 HydrophobicContact CD2-CG 4.46Å; Y566-F735 AromaticContact CD2-CZ 3.96Å; Y566-F735 HydrophobicContact CD2-CZ 3.96Å; Y566-F735 HydrophobicContact CE2-CD2 4.48Å; Y566-F735 HydrophobicContact CE2-CE2 4.17Å; Y566-F735 HydrophobicContact CG-CD2 4.02Å; Y566-F735 HydrophobicContact CG-CE2 4.21Å; Y566-F735 HydrophobicContact CG-CG 4.2Å; F680-F735 HydrophobicContact CB-CE2 4.13Å; F680-F735 AromaticContact CD1-CE2 3.7Å; F680-F735 HydrophobicContact CD1-CE2 3.7Å; F680-F735 AromaticContact CD1-CZ 3.96Å; F680-F735 HydrophobicContact CD1-CZ 3.96Å; F680-F735 HydrophobicContact CG-CE2 4.38Å; T681-F735 PolarHBondContact O-N 2.99Å; T681-F735 VanDerWaalsContact O-N 3.08Å; T682-F735 HydrophobicContact CG2-CB 4.08Å; T682-F735 HydrophobicContact CG2-CD2 4.45Å; F733-F735 HydrophobicContact CB-CE2 3.52Å; F733-F735 HydrophobicContact CB-CZ 3.7Å; F733-F735 HydrophobicContact CD1-CZ 4.27Å; F733-F735 HydrophobicContact CG-CZ 4.44Å; F735-Y759 CarbonylContact C-O 3.1Å; F735-Y759 WeakPolarHBondContact CA-O 3.17Å; F735-Y759 AromaticContact CD1-CD2 3.98Å; F735-Y759 HydrophobicContact CD1-CD2 3.98Å; F735-Y759 HydrophobicContact CD1-CG 4.38Å; F735-Y759 AromaticContact CE1-CD2 3.7Å; F735-Y759 HydrophobicContact CE1-CD2 3.7Å; F735-Y759 HydrophobicContact CE1-CE2 4.34Å; F735-Y759 HydrophobicContact CE1-CG 4.37Å; F735-Y759 HydrophobicContact CZ-CD2 4.32Å; F735-F762 HydrophobicContact CB-CB 3.99Å; F735-F762 HydrophobicContact CB-CG 4.36Å; F735-F762 HydrophobicContact CD1-CB 4.16Å; F735-F762 HydrophobicContact CD1-CD1 4.02Å; F735-F762 AromaticContact CD1-CD2 3.88Å; F735-F762 HydrophobicContact CD1-CD2 3.88Å; F735-F762 HydrophobicContact CD1-CE1 4.4Å; F735-F762 HydrophobicContact CD1-CE2 4.24Å; F735-F762 AromaticContact CD1-CG 3.75Å; F735-F762 HydrophobicContact CD1-CG 3.75Å; F735-F762 HydrophobicContact CE1-CD2 4.44Å; F735-F762 HydrophobicContact CE1-CE2 4.4Å; F735-F800 HydrophobicContact CE1-CD1 4.11Å; F735-F800 AromaticContact CE1-CD2 3.68Å; F735-F800 HydrophobicContact CE1-CD2 3.68Å; F735-F800 HydrophobicContact CE1-CE1 4.27Å; F735-F800 AromaticContact CE1-CE2 3.86Å; F735-F800 HydrophobicContact CE1-CE2 3.86Å; F735-F800 AromaticContact CE1-CG 3.82Å; F735-F800 HydrophobicContact CE1-CG 3.82Å; F735-F800 HydrophobicContact CE1-CZ 4.16Å; F735-F800 AromaticContact CZ-CD2 3.86Å; F735-F800 HydrophobicContact CZ-CD2 3.86Å; F735-F800 HydrophobicContact CZ-CE1 4.46Å; F735-F800 AromaticContact CZ-CE2 3.6Å; F735-F800 HydrophobicContact CZ-CE2 3.6Å; F735-F800 HydrophobicContact CZ-CG 4.41Å; F735-F800 AromaticContact CZ-CZ 3.93Å; F735-F800 HydrophobicContact CZ-CZ 3.93Å
736	N	94.8	Very high	96.9	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.011	9%	0.087	C	C	.	.			trans	-87.9	134.5	-160.2	70.9	-53.4	0	0	0	114.9	T682 I734 Q738 C740 H758 P760 D761 D995	T682-N736 WeakPolarHBondContact O-CA 3.24Å; T682-N736 VanDerWaalsContact O-CB 3.3Å; T682-N736 WeakPolarHBondContact O-CB 3.49Å; I734-N736 HydrophobicContact CG2-CB 4.22Å; N736-Q738 WeakPolarHBondContact CB-O 3.24Å; N736-Q738 PolarHBondContact ND2-O 3.17Å; N736-C740 HydrophobicContact CB-CB 4.4Å; N736-C740 WeakPolarHBondContact CB-SG 3.42Å; N736-H758 PolarHBondContact OD1-CD2 2.85Å; N736-H758 VanDerWaalsContact OD1-CD2 3.3Å; N736-H758 PolarHBondContact OD1-NE2 3.25Å; N736-P760 WeakPolarHBondContact O-CA 3.44Å; N736-D761 PolarHBondContact O-N 2.99Å; N736-D995 PolarHBondContact ND2-OD2 2.98Å; N736-D995 VanDerWaalsContact ND2-OD2 3.16Å
737	S	92.6	Very high	96.9	Very high	69 Å²	69	13.1 Å²	13.1	48%	0.483	7%	0.07	S	C	.	.	S	Bend	trans	-96	-20	165.3	58.3	0	0	0	0	112.9	D761 R993	S737-D761 WeakPolarHBondContact CA-OD1 3.48Å; S737-R993 PolarHBondContact O-NH1 2.95Å
738	Q	92.2	Very high	96.9	Very high	126 Å²	126	11.2 Å²	11.2	59%	0.589	6%	0.061	S	C	*	.	S	Bend	trans	-117.6	165.4	177.4	-60.7	-173.7	5.2	0	0	111.1	N736 C740	N736-Q738 WeakPolarHBondContact CB-O 3.24Å; N736-Q738 PolarHBondContact ND2-O 3.17Å; Q738-C740 PolarHBondContact O-N 3.27Å; Q738-C740 PolarHBondContact O-SG 2.71Å; Q738-C740 VanDerWaalsContact O-SG 3.41Å
739	Y	95.3	Very high	96.9	Very high	24 Å²	24	11.3 Å²	11.3	9%	0.094	6%	0.062	C	C	.	.			trans	-59.3	136.5	-178.4	179.3	-111.9	0	0	0	112.6	L684 L694 R695 E696 D741 L994 D995	L684-Y739 HydrophobicContact CD1-CD1 4.24Å; L684-Y739 HydrophobicContact CD1-CE1 4.24Å; L694-Y739 HydrophobicContact CD1-CD1 3.43Å; L694-Y739 VanDerWaalsContact CD1-CD1 3.43Å; L694-Y739 HydrophobicContact CD1-CE1 4.14Å; L694-Y739 HydrophobicContact CD1-CG 3.93Å; R695-Y739 HydrophobicContact CG-CE1 4.17Å; R695-Y739 WeakPolarHBondContact CG-OH 3.32Å; R695-Y739 PolarHBondContact NE-OH 3.26Å; E696-Y739 HydrophobicContact CB-CD2 3.79Å; E696-Y739 HydrophobicContact CB-CE2 3.85Å; E696-Y739 HydrophobicContact CB-CG 4.17Å; Y739-D741 HydrophobicContact CE1-CB 3.78Å; Y739-D741 HydrophobicContact CE2-CB 4.27Å; Y739-D741 VanDerWaalsContact CZ-CA 3.49Å; Y739-D741 VanDerWaalsContact OH-CB 3.27Å; Y739-D741 WeakPolarHBondContact OH-CB 3.01Å; Y739-D741 PolarHBondContact OH-OD1 3.32Å; Y739-L994 HydrophobicContact CE2-CB 4.3Å; Y739-L994 HydrophobicContact CE2-CD2 3.96Å; Y739-L994 HydrophobicContact CE2-CG 4.36Å; Y739-D995 WeakPolarHBondContact CA-OD2 3.43Å; Y739-D995 VanDerWaalsContact CD2-OD2 3.3Å; Y739-D995 WeakPolarHBondContact CD2-OD2 3.22Å
740	C	95.8	Very high	96.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.			trans	-128.6	-3.1	-177.3	-70.2	0	0	0	0	114.5	C683 N736 Q738 D995	C683-C740 WeakPolarHBondContact CA-SG 3.34Å; N736-C740 HydrophobicContact CB-CB 4.4Å; N736-C740 WeakPolarHBondContact CB-SG 3.42Å; Q738-C740 PolarHBondContact O-N 3.27Å; Q738-C740 PolarHBondContact O-SG 2.71Å; Q738-C740 VanDerWaalsContact O-SG 3.41Å; C740-D995 PolarHBondContact N-OD2 3Å
741	D	97.1	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.			trans	54.3	56.1	-174.1	-162.4	11.4	0	0	0	114.2	L684 L692 R695 S712 Y739 A743 T744 I745 D995	L684-D741 HydrophobicContact CD1-CB 3.84Å; L692-D741 HydrophobicContact CD1-CB 3.86Å; R695-D741 IonicContact CZ-OD1 3.7Å; R695-D741 IonicContact CZ-OD2 2.81Å; R695-D741 VanDerWaalsContact CZ-OD2 3.31Å; R695-D741 IonicContact NE-OD1 2.71Å; R695-D741 PolarHBondContact NE-OD1 3.11Å; R695-D741 IonicContact NE-OD2 3.27Å; R695-D741 PolarHBondContact NE-OD2 3.31Å; R695-D741 VanDerWaalsContact NH2-CG 3.33Å; R695-D741 IonicContact NH2-OD1 3.88Å; R695-D741 PolarHBondContact NH2-OD1 2.74Å; R695-D741 IonicContact NH2-OD2 3.57Å; R695-D741 PolarHBondContact NH2-OD2 2.12Å; R695-D741 VanDerWaalsContact NH2-OD2 3.12Å; S712-D741 PolarHBondContact OG-OD2 3.28Å; S712-D741 VanDerWaalsContact OG-OD2 3.08Å; Y739-D741 HydrophobicContact CE1-CB 3.78Å; Y739-D741 HydrophobicContact CE2-CB 4.27Å; Y739-D741 VanDerWaalsContact CZ-CA 3.49Å; Y739-D741 VanDerWaalsContact OH-CB 3.27Å; Y739-D741 WeakPolarHBondContact OH-CB 3.01Å; Y739-D741 PolarHBondContact OH-OD1 3.32Å; D741-A743 PolarHBondContact O-N 2.87Å; D741-A743 VanDerWaalsContact O-N 3.1Å; D741-T744 PolarHBondContact O-N 2.84Å; D741-T744 PolarHBondContact OD1-OG1 3.43Å; D741-T744 VanDerWaalsContact OD2-CB 3.28Å; D741-T744 WeakPolarHBondContact OD2-CB 3.12Å; D741-T744 PolarHBondContact OD2-OG1 3.18Å; D741-I745 PolarHBondContact O-N 2.99Å; D741-I745 VanDerWaalsContact O-N 3.11Å; D741-D995 PolarHBondContact N-OD1 3.19Å
742	I	97.9	Very high	96.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.5	-31.3	176.4	-63.3	-174.5	0	0	0	111.2	I734 T744 S746 D995 A999	I734-I742 HydrophobicContact CD1-CD1 3.94Å; I734-I742 HydrophobicContact CD1-CG1 3.89Å; I734-I742 HydrophobicContact CD1-CG2 4.41Å; I734-I742 HydrophobicContact CG2-CD1 4.02Å; I734-I742 HydrophobicContact CG2-CG1 4.4Å; I742-T744 PolarHBondContact O-N 2.79Å; I742-S746 WeakPolarHBondContact O-CB 3.34Å; I742-S746 PolarHBondContact O-N 3.01Å; I742-S746 VanDerWaalsContact O-N 3.1Å; I742-S746 PolarHBondContact O-OG 3.36Å; I742-D995 HydrophobicContact CB-CB 4.39Å; I742-D995 HydrophobicContact CD1-CB 3.72Å; I742-D995 HydrophobicContact CG1-CB 3.91Å; I742-D995 WeakPolarHBondContact CG1-OD1 3.46Å; I742-D995 PolarHBondContact N-OD1 2.97Å; I742-A999 HydrophobicContact CD1-CB 4.24Å; I742-A999 HydrophobicContact CG2-CB 4.43Å
743	A	96.5	Very high	96.6	Very high	3 Å²	3	15.8 Å²	15.8	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-27.5	175.8	0	0	0	0	0	113.7	H708 D741	H708-A743 WeakPolarHBondContact O-CB 3Å; D741-A743 PolarHBondContact O-N 2.87Å; D741-A743 VanDerWaalsContact O-N 3.1Å
744	T	97.9	Very high	96.4	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-95	-55.7	177.1	-60.5	0	0	0	0	111.9	L692 R695 A711 S712 T713 Y716 D741 I742 S746 G747	L692-T744 HydrophobicContact CD1-CG2 3.86Å; L692-T744 HydrophobicContact CD2-CG2 3.84Å; R695-T744 PolarHBondContact NH2-OG1 2.76Å; R695-T744 VanDerWaalsContact NH2-OG1 3.11Å; A711-T744 WeakPolarHBondContact CA-OG1 3.03Å; A711-T744 HydrophobicContact CB-CG2 4.2Å; S712-T744 PolarHBondContact N-OG1 3.08Å; S712-T744 PolarHBondContact OG-OG1 3.41Å; T713-T744 HydrophobicContact CG2-CG2 3.85Å; Y716-T744 HydrophobicContact CD2-CG2 3.7Å; Y716-T744 HydrophobicContact CE2-CG2 4.07Å; D741-T744 PolarHBondContact O-N 2.84Å; D741-T744 PolarHBondContact OD1-OG1 3.43Å; D741-T744 VanDerWaalsContact OD2-CB 3.28Å; D741-T744 WeakPolarHBondContact OD2-CB 3.12Å; D741-T744 PolarHBondContact OD2-OG1 3.18Å; I742-T744 PolarHBondContact O-N 2.79Å; T744-S746 VanDerWaalsContact C-N 3.3Å; T744-S746 PolarHBondContact O-N 3.3Å; T744-G747 PolarHBondContact O-N 2.96Å; T744-G747 VanDerWaalsContact O-N 3.1Å
745	I	98.1	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-29.6	-171.5	63.9	174.8	0	0	0	112.8	L659 T681 P685 L692 Y716 M732 I734 D741 G747 A748	L659-I745 HydrophobicContact CD2-CB 4.4Å; L659-I745 HydrophobicContact CD2-CD1 4.45Å; L659-I745 HydrophobicContact CD2-CG2 4.2Å; T681-I745 HydrophobicContact CG2-CD1 4.17Å; P685-I745 HydrophobicContact CG-CG2 4Å; L692-I745 HydrophobicContact CD1-CG2 3.76Å; Y716-I745 HydrophobicContact CD1-CB 4.46Å; Y716-I745 HydrophobicContact CD1-CG2 4.44Å; Y716-I745 HydrophobicContact CE1-CB 4.37Å; Y716-I745 HydrophobicContact CE1-CG2 3.98Å; Y716-I745 HydrophobicContact CE2-CG2 4.17Å; M732-I745 HydrophobicContact CE-CB 4.36Å; M732-I745 WeakPolarHBondContact CE-O 3.35Å; M732-I745 HydrophobicContact SD-CB 4.49Å; I734-I745 HydrophobicContact CD1-CD1 4.05Å; D741-I745 PolarHBondContact O-N 2.99Å; D741-I745 VanDerWaalsContact O-N 3.11Å; I745-G747 PolarHBondContact O-N 3.14Å; I745-A748 WeakPolarHBondContact O-CB 3.27Å; I745-A748 PolarHBondContact O-N 3.37Å
746	S	97.2	Very high	96.3	Very high	1 Å²	1	17 Å²	17	1%	0.007	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.7	174.2	60.2	0	0	0	0	114.1	I742 T744 A748 S749 R750 E1002	I742-S746 WeakPolarHBondContact O-CB 3.34Å; I742-S746 PolarHBondContact O-N 3.01Å; I742-S746 VanDerWaalsContact O-N 3.1Å; I742-S746 PolarHBondContact O-OG 3.36Å; T744-S746 VanDerWaalsContact C-N 3.3Å; T744-S746 PolarHBondContact O-N 3.3Å; S746-A748 PolarHBondContact O-N 2.97Å; S746-S749 PolarHBondContact O-N 2.72Å; S746-R750 WeakPolarHBondContact O-CB 3.4Å; S746-R750 PolarHBondContact O-N 2.89Å; S746-E1002 PolarHBondContact OG-OE1 2.8Å
747	G	96.9	Very high	96.3	Very high	5 Å²	5	18.6 Å²	18.6	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-54.4	-34	172.6	0	0	0	0	0	113	Y716 A720 T744 I745 S749 Y751	Y716-G747 CarbonylContact O-C 3.51Å; A720-G747 WeakPolarHBondContact CB-O 3.33Å; T744-G747 PolarHBondContact O-N 2.96Å; T744-G747 VanDerWaalsContact O-N 3.1Å; I745-G747 PolarHBondContact O-N 3.14Å; G747-S749 VanDerWaalsContact C-N 3.33Å; G747-S749 PolarHBondContact O-N 3.05Å; G747-Y751 VanDerWaalsContact O-CD2 3.27Å; G747-Y751 WeakPolarHBondContact O-CD2 3.41Å; G747-Y751 PolarHBondContact O-N 3.39Å
748	A	97.9	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.6	-43.4	176.1	0	0	0	0	0	111.9	L663 Y716 Y719 A720 V730 M732 I745 S746 S752	L663-A748 HydrophobicContact CD1-CB 4.31Å; Y716-A748 HydrophobicContact CD1-CB 4.3Å; Y716-A748 WeakPolarHBondContact O-CA 3.42Å; Y716-A748 PolarHBondContact O-N 2.85Å; Y719-A748 HydrophobicContact CD1-CB 4.3Å; A720-A748 WeakPolarHBondContact CB-O 3.3Å; V730-A748 HydrophobicContact CG1-CB 4.37Å; M732-A748 HydrophobicContact CE-CB 3.63Å; M732-A748 HydrophobicContact SD-CB 4.4Å; I745-A748 WeakPolarHBondContact O-CB 3.27Å; I745-A748 PolarHBondContact O-N 3.37Å; S746-A748 PolarHBondContact O-N 2.97Å; A748-S752 VanDerWaalsContact O-CB 3.3Å; A748-S752 WeakPolarHBondContact O-CB 3.47Å; A748-S752 PolarHBondContact O-OG 2.9Å
749	S	97.6	Very high	96.7	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.007	5%	0.052	C	C	.	.	H	α-helix	trans	-81.7	-47.9	178.3	-58.2	0	0	0	0	112.5	V730 S746 G747 Y751 S752 S753 G754 S834	V730-S749 WeakPolarHBondContact O-CA 3.5Å; V730-S749 WeakPolarHBondContact O-CB 3.41Å; V730-S749 PolarHBondContact O-OG 2.98Å; S746-S749 PolarHBondContact O-N 2.72Å; G747-S749 VanDerWaalsContact C-N 3.33Å; G747-S749 PolarHBondContact O-N 3.05Å; S749-Y751 PolarHBondContact O-N 2.72Å; S749-Y751 VanDerWaalsContact O-N 3.17Å; S749-S752 PolarHBondContact O-N 3.49Å; S749-S752 VanDerWaalsContact O-N 3.08Å; S749-S752 PolarHBondContact O-OG 3.14Å; S749-S753 PolarHBondContact O-N 3.04Å; S749-G754 PolarHBondContact O-N 3.06Å; S749-S834 PolarHBondContact O-OG 3.24Å; S749-S834 VanDerWaalsContact O-OG 3.08Å
750	R	96	Very high	96.6	Very high	27 Å²	27	12.5 Å²	12.5	10%	0.102	6%	0.063	C	C	.	.	H	α-helix	trans	-55.1	-37.4	-173.7	-169.5	-161.1	-70.1	165.1	-0	112.8	S746 S834 C835 E1002	S746-R750 WeakPolarHBondContact O-CB 3.4Å; S746-R750 PolarHBondContact O-N 2.89Å; R750-S834 WeakPolarHBondContact CA-OG 3.39Å; R750-S834 CarbonylContact O-C 3.5Å; R750-S834 WeakPolarHBondContact O-CA 3.5Å; R750-S834 PolarHBondContact O-OG 3.1Å; R750-C835 PolarHBondContact O-N 2.92Å; R750-E1002 IonicContact CZ-OE1 2.94Å; R750-E1002 IonicContact NE-OE1 3.98Å; R750-E1002 PolarHBondContact NE-OE1 3Å; R750-E1002 IonicContact NE-OE2 3.18Å; R750-E1002 IonicContact NH2-OE1 3.72Å; R750-E1002 PolarHBondContact NH2-OE1 3.17Å
751	Y	96.7	Very high	96.5	Very high	68 Å²	68	16.6 Å²	16.6	27%	0.267	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-1.4	-178.2	-55.4	-64.3	0	0	0	114	K717 S724 G747 S749	K717-Y751 HydrophobicContact CB-CD2 3.92Å; K717-Y751 HydrophobicContact CB-CE2 4.06Å; K717-Y751 HydrophobicContact CD-CE2 4.18Å; K717-Y751 HydrophobicContact CG-CD2 3.7Å; K717-Y751 HydrophobicContact CG-CE2 3.85Å; K717-Y751 HydrophobicContact CG-CG 4.35Å; S724-Y751 PolarHBondContact OG-O 3.49Å; G747-Y751 VanDerWaalsContact O-CD2 3.27Å; G747-Y751 WeakPolarHBondContact O-CD2 3.41Å; G747-Y751 PolarHBondContact O-N 3.39Å; S749-Y751 PolarHBondContact O-N 2.72Å; S749-Y751 VanDerWaalsContact O-N 3.17Å
752	S	97.3	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	10.2	172	68.3	0	0	0	0	113.7	G729 V730 A748 S749 G754	G729-S752 WeakPolarHBondContact CA-O 3.4Å; V730-S752 WeakPolarHBondContact CB-OG 3.31Å; V730-S752 PolarHBondContact N-OG 2.65Å; A748-S752 VanDerWaalsContact O-CB 3.3Å; A748-S752 WeakPolarHBondContact O-CB 3.47Å; A748-S752 PolarHBondContact O-OG 2.9Å; S749-S752 PolarHBondContact O-N 3.49Å; S749-S752 VanDerWaalsContact O-N 3.08Å; S749-S752 PolarHBondContact O-OG 3.14Å; S752-G754 VanDerWaalsContact C-N 3.29Å; S752-G754 PolarHBondContact O-N 2.85Å
753	S	96.3	Very high	96	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	17.6	-175.4	82.8	0	0	0	0	117.2	S749 S834 L845 P846 N847	S749-S753 PolarHBondContact O-N 3.04Å; S753-S834 WeakPolarHBondContact CA-O 3.33Å; S753-S834 WeakPolarHBondContact CA-OG 3.32Å; S753-S834 WeakPolarHBondContact CB-O 3.4Å; S753-L845 VanDerWaalsContact OG-CA 3.27Å; S753-L845 WeakPolarHBondContact OG-CA 3.48Å; S753-P846 VanDerWaalsContact OG-CD 3.31Å; S753-P846 WeakPolarHBondContact OG-CD 3.43Å; S753-N847 PolarHBondContact OG-N 3.42Å; S753-N847 PolarHBondContact OG-O 2.77Å
754	G	95.5	Very high	95.8	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	11%	0.11	C	C	.	.			trans	-83.1	-175.3	171.8	0	0	0	0	0	114.1	V730 D731 S749 S752 S834	V730-G754 WeakPolarHBondContact O-CA 3.13Å; D731-G754 WeakPolarHBondContact OD1-CA 3.36Å; S749-G754 PolarHBondContact O-N 3.06Å; S752-G754 VanDerWaalsContact C-N 3.29Å; S752-G754 PolarHBondContact O-N 2.85Å; G754-S834 PolarHBondContact N-OG 2.85Å; G754-S834 VanDerWaalsContact O-CB 3.28Å; G754-S834 WeakPolarHBondContact O-CB 3.45Å; G754-S834 PolarHBondContact O-OG 3.25Å
755	T	94.9	Very high	95.2	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.067	12%	0.116	C	C	.	.			trans	-126.2	142.2	-174.4	47.9	0	0	0	0	111.7	D731 M732 H757 T1006	D731-T755 WeakPolarHBondContact CA-O 3.34Å; D731-T755 PolarHBondContact OD1-N 2.73Å; D731-T755 PolarHBondContact OD1-OG1 3.23Å; M732-T755 PolarHBondContact N-O 3.28Å; T755-H757 WeakPolarHBondContact CB-NE2 3.43Å; T755-H757 PolarHBondContact OG1-NE2 2.96Å; T755-T1006 HydrophobicContact CG2-CG2 4.14Å
756	V	97.1	Very high	94.2	Very high	14 Å²	14	26.3 Å²	26.3	9%	0.085	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.7	173.1	-178.6	0	0	0	0	109	M732 I734 E1002	M732-V756 HydrophobicContact CB-CG2 4.49Å; M732-V756 CarbonylContact O-C 3.43Å; M732-V756 WeakPolarHBondContact O-CA 3.44Å; I734-V756 HydrophobicContact CD1-CG1 3.76Å; I734-V756 HydrophobicContact CG1-CG1 4.45Å; V756-E1002 HydrophobicContact CB-CB 4.3Å; V756-E1002 HydrophobicContact CB-CG 4.47Å; V756-E1002 HydrophobicContact CG2-CB 4.48Å; V756-E1002 HydrophobicContact CG2-CG 4.21Å
757	H	96.6	Very high	92.7	Very high	36 Å²	36	32.5 Å²	32.5	17%	0.167	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.5	175.7	-58.6	-97.5	0	0	0	107.9	M732 F733 I734 T755 Y759 Y807	M732-H757 PolarHBondContact O-N 2.72Å; F733-H757 WeakPolarHBondContact CA-O 3.48Å; F733-H757 HydrophobicContact CD1-CB 3.78Å; F733-H757 HydrophobicContact CE1-CB 3.89Å; F733-H757 AromaticContact CE1-CG 3.8Å; F733-H757 AromaticContact CE2-CD2 3.88Å; F733-H757 HydrophobicContact CG-CB 4.19Å; F733-H757 HydrophobicContact CZ-CB 4.4Å; F733-H757 AromaticContact CZ-CD2 3.75Å; F733-H757 AromaticContact CZ-CG 3.9Å; I734-H757 PolarHBondContact N-O 3.38Å; T755-H757 WeakPolarHBondContact CB-NE2 3.43Å; T755-H757 PolarHBondContact OG1-NE2 2.96Å; H757-Y759 HydrophobicContact CB-CE2 3.78Å; H757-Y807 AromaticContact NE2-CD2 3.8Å; H757-Y807 AromaticContact NE2-CE2 3.97Å
758	H	97	Very high	90.8	Very high	32 Å²	32	33 Å²	33	15%	0.148	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123	-170.6	-178.5	-135.1	0	0	0	111.6	N736 D996 A999	N736-H758 PolarHBondContact OD1-CD2 2.85Å; N736-H758 VanDerWaalsContact OD1-CD2 3.3Å; N736-H758 PolarHBondContact OD1-NE2 3.25Å; H758-D996 IonicContact CE1-OD1 2.63Å; H758-A999 HydrophobicContact CB-CB 3.54Å; H758-A999 VanDerWaalsContact ND1-CB 3.34Å; H758-A999 WeakPolarHBondContact ND1-CB 3.42Å
759	Y	95.5	Very high	88.8	Confident	7 Å²	7	35 Å²	35	3%	0.027	18%	0.176	C	C	.	.			trans	-125.8	80.4	-179.4	-52.6	-78.6	0	0	0	108.4	F733 I734 F735 H757 F762 Q799 F800 D803	F733-Y759 AromaticContact CD1-CE2 3.93Å; F733-Y759 HydrophobicContact CD1-CE2 3.93Å; F733-Y759 HydrophobicContact CE1-CE2 4.45Å; I734-Y759 PolarHBondContact O-N 2.68Å; F735-Y759 CarbonylContact C-O 3.1Å; F735-Y759 WeakPolarHBondContact CA-O 3.17Å; F735-Y759 AromaticContact CD1-CD2 3.98Å; F735-Y759 HydrophobicContact CD1-CD2 3.98Å; F735-Y759 HydrophobicContact CD1-CG 4.38Å; F735-Y759 AromaticContact CE1-CD2 3.7Å; F735-Y759 HydrophobicContact CE1-CD2 3.7Å; F735-Y759 HydrophobicContact CE1-CE2 4.34Å; F735-Y759 HydrophobicContact CE1-CG 4.37Å; F735-Y759 HydrophobicContact CZ-CD2 4.32Å; H757-Y759 HydrophobicContact CB-CE2 3.78Å; Y759-F762 WeakPolarHBondContact O-CB 3.32Å; Y759-Q799 HydrophobicContact CE1-CB 4.35Å; Y759-Q799 HydrophobicContact CE1-CG 4.06Å; Y759-F800 HydrophobicContact CD1-CB 4.06Å; Y759-F800 HydrophobicContact CD2-CB 4.38Å; Y759-F800 HydrophobicContact CD2-CD2 4.37Å; Y759-F800 HydrophobicContact CE1-CB 3.92Å; Y759-F800 HydrophobicContact CE2-CB 4.26Å; Y759-F800 AromaticContact CE2-CD2 3.89Å; Y759-F800 HydrophobicContact CE2-CD2 3.89Å; Y759-F800 HydrophobicContact CE2-CG 4.49Å; Y759-F800 HydrophobicContact CG-CB 4.31Å; Y759-D803 WeakPolarHBondContact OH-CB 3.42Å; Y759-D803 PolarHBondContact OH-OD2 3.16Å
760	P	93.3	Very high	86.5	Confident	51 Å²	51	43.6 Å²	43.6	33%	0.331	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	145.4	-179.3	26.4	-33	0	0	0	111.1	N736 F762	N736-P760 WeakPolarHBondContact O-CA 3.44Å; P760-F762 PolarHBondContact O-N 3.17Å
761	D	93	Very high	84.3	Confident	86 Å²	86	46.7 Å²	46.7	46%	0.46	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.1	-178.9	-57.6	-29.8	0	0	0	113.7	N736 S737 R993	N736-D761 PolarHBondContact O-N 2.99Å; S737-D761 WeakPolarHBondContact CA-OD1 3.48Å; D761-R993 VanDerWaalsContact CG-NH2 3.29Å; D761-R993 IonicContact OD1-CZ 2.64Å; D761-R993 IonicContact OD1-NH1 2.74Å; D761-R993 PolarHBondContact OD1-NH1 3.13Å; D761-R993 IonicContact OD1-NH2 3.03Å; D761-R993 PolarHBondContact OD1-NH2 3.19Å; D761-R993 IonicContact OD2-CZ 3.78Å; D761-R993 IonicContact OD2-NH1 3.2Å; D761-R993 IonicContact OD2-NH2 3.17Å; D761-R993 PolarHBondContact OD2-NH2 2.82Å
762	F	93	Very high	82.2	Confident	8 Å²	8	45 Å²	45	4%	0.035	23%	0.227	C	C	.	.			trans	-67	137	-179.8	-172.5	-85.1	0	0	0	112.7	L569 F735 Y759 P760 V797 F800	L569-F762 HydrophobicContact CD2-CZ 4.3Å; F735-F762 HydrophobicContact CB-CB 3.99Å; F735-F762 HydrophobicContact CB-CG 4.36Å; F735-F762 HydrophobicContact CD1-CB 4.16Å; F735-F762 HydrophobicContact CD1-CD1 4.02Å; F735-F762 AromaticContact CD1-CD2 3.88Å; F735-F762 HydrophobicContact CD1-CD2 3.88Å; F735-F762 HydrophobicContact CD1-CE1 4.4Å; F735-F762 HydrophobicContact CD1-CE2 4.24Å; F735-F762 AromaticContact CD1-CG 3.75Å; F735-F762 HydrophobicContact CD1-CG 3.75Å; F735-F762 HydrophobicContact CE1-CD2 4.44Å; F735-F762 HydrophobicContact CE1-CE2 4.4Å; Y759-F762 WeakPolarHBondContact O-CB 3.32Å; P760-F762 PolarHBondContact O-N 3.17Å; F762-V797 HydrophobicContact CE2-CG2 4.04Å; F762-V797 HydrophobicContact CZ-CG2 3.89Å; F762-F800 HydrophobicContact CE2-CB 3.85Å; F762-F800 HydrophobicContact CE2-CD1 4.06Å; F762-F800 HydrophobicContact CE2-CG 4.24Å; F762-F800 AromaticContact CZ-CD1 3.97Å; F762-F800 HydrophobicContact CZ-CD1 3.97Å
763	Y	92.2	Very high	80.1	Confident	121 Å²	121	48 Å²	48	48%	0.475	24%	0.242	S	C	.	.			trans	-152.3	133.7	173.8	-174.4	-106.8	0	0	0	110.1	A563 T564 T765 V797	A563-Y763 WeakPolarHBondContact O-CE2 3.44Å; T564-Y763 CarbonylContact O-C 3.55Å; T564-Y763 WeakPolarHBondContact O-CA 3.31Å; Y763-T765 HydrophobicContact CE1-CG2 3.65Å; Y763-T765 WeakPolarHBondContact OH-CG2 3.49Å; Y763-V797 WeakPolarHBondContact O-CG2 3.12Å
764	Y	91.3	Very high	77.9	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.027	27%	0.267	C	S	.	.			trans	-130.9	137.5	178	171.4	-105.9	0	0	0	110.3	T564 G565 L569 P766 D769 V797	T564-Y764 PolarHBondContact O-N 2.92Å; G565-Y764 WeakPolarHBondContact O-CD1 3.34Å; L569-Y764 HydrophobicContact CB-CD1 3.93Å; L569-Y764 HydrophobicContact CB-CD2 4.41Å; L569-Y764 HydrophobicContact CB-CE1 3.88Å; L569-Y764 HydrophobicContact CB-CE2 4.37Å; L569-Y764 HydrophobicContact CB-CG 4.18Å; L569-Y764 HydrophobicContact CD1-CE2 4.19Å; L569-Y764 HydrophobicContact CD2-CD2 3.94Å; L569-Y764 HydrophobicContact CD2-CE2 4.14Å; L569-Y764 HydrophobicContact CD2-CG 4.29Å; L569-Y764 HydrophobicContact CG-CE2 4.47Å; Y764-P766 HydrophobicContact CE1-CG 4.14Å; Y764-D769 PolarHBondContact OH-OD2 2.9Å; Y764-V797 HydrophobicContact CD2-CG1 3.76Å; Y764-V797 HydrophobicContact CD2-CG2 4.16Å; Y764-V797 HydrophobicContact CE2-CG1 4.29Å
765	T	85	Confident	75.4	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.135	28%	0.281	C	S	.	.			trans	-128.4	136.1	164.1	49.1	0	0	0	0	110.1	Y763 D767 E768 K791	Y763-T765 HydrophobicContact CE1-CG2 3.65Å; Y763-T765 WeakPolarHBondContact OH-CG2 3.49Å; T765-D767 VanDerWaalsContact C-N 3.25Å; T765-D767 PolarHBondContact O-N 3.48Å; T765-E768 PolarHBondContact O-N 2.82Å; T765-E768 VanDerWaalsContact O-N 3.11Å; T765-E768 WeakPolarHBondContact OG1-CG 3.3Å; T765-E768 PolarHBondContact OG1-OE1 2.84Å; T765-E768 PolarHBondContact OG1-OE2 3.31Å; T765-E768 VanDerWaalsContact OG1-OE2 3.13Å; T765-K791 PolarHBondContact OG1-NZ 3.13Å
766	P	78.5	Confident	72.7	Confident	50 Å²	50	60.2 Å²	60.2	33%	0.325	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-54.7	-37.5	-174.6	-30.5	37.6	0	0	0	114.9	Y764 E768 D769	Y764-P766 HydrophobicContact CE1-CG 4.14Å; P766-E768 PolarHBondContact O-N 3.31Å; P766-D769 PolarHBondContact O-N 2.96Å
767	D	65.5	Low	69.9	Low	131 Å²	131	61.7 Å²	61.7	70%	0.701	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-60.6	-16.8	-178.7	-46	-21.7	0	0	0	113.6	T765	T765-D767 VanDerWaalsContact C-N 3.25Å; T765-D767 PolarHBondContact O-N 3.48Å
768	E	57.4	Low	67	Low	16 Å²	16	68.9 Å²	68.9	8%	0.075	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-83.9	-15.6	-178.8	-69.5	171.8	166.2	0	0	113.4	T765 P766 E770 H771 K791 V793	T765-E768 PolarHBondContact O-N 2.82Å; T765-E768 VanDerWaalsContact O-N 3.11Å; T765-E768 WeakPolarHBondContact OG1-CG 3.3Å; T765-E768 PolarHBondContact OG1-OE1 2.84Å; T765-E768 PolarHBondContact OG1-OE2 3.31Å; T765-E768 VanDerWaalsContact OG1-OE2 3.13Å; P766-E768 PolarHBondContact O-N 3.31Å; E768-E770 PolarHBondContact O-N 2.85Å; E768-H771 PolarHBondContact O-N 3.31Å; E768-H771 VanDerWaalsContact O-N 3.11Å; E768-K791 HydrophobicContact CG-CB 4.31Å; E768-K791 HydrophobicContact CG-CD 4.23Å; E768-K791 VanDerWaalsContact OE1-CD 3.24Å; E768-K791 WeakPolarHBondContact OE1-CD 3.32Å; E768-K791 VanDerWaalsContact OE1-CE 3.32Å; E768-K791 WeakPolarHBondContact OE1-CE 3.45Å; E768-K791 IonicContact OE1-NZ 3.53Å; E768-K791 PolarHBondContact OE1-NZ 3.12Å; E768-V793 HydrophobicContact CB-CG2 4.5Å; E768-V793 VanDerWaalsContact O-CG2 3.25Å; E768-V793 WeakPolarHBondContact O-CG2 3.18Å
769	D	54.6	Low	64.3	Low	42 Å²	42	72 Å²	72	23%	0.225	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-61.7	-25.5	-177.9	-95.6	-22.5	0	0	0	113.3	K572 Y764 P766	K572-D769 IonicContact NZ-OD2 3.21Å; K572-D769 PolarHBondContact NZ-OD2 3.38Å; Y764-D769 PolarHBondContact OH-OD2 2.9Å; P766-D769 PolarHBondContact O-N 2.96Å
770	E	49.2	Very low	61.1	Low	182 Å²	182	77.8 Å²	77.8	85%	0.85	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-77.2	-19.3	178	-63.4	-158.4	149.9	0	0	113.6	E768 I772	E768-E770 PolarHBondContact O-N 2.85Å; E770-I772 VanDerWaalsContact C-N 3.28Å; E770-I772 PolarHBondContact O-N 2.95Å
771	H	49.9	Very low	58.3	Low	92 Å²	92	83.7 Å²	83.7	43%	0.426	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-88.4	25.6	-171.6	-74.9	-54.6	0	0	0	114.9	E768 L773 V793	E768-H771 PolarHBondContact O-N 3.31Å; E768-H771 VanDerWaalsContact O-N 3.11Å; H771-L773 PolarHBondContact O-N 2.94Å; H771-V793 HydrophobicContact CB-CG2 4.21Å
772	I	54	Low	55.2	Low	33 Å²	33	84.3 Å²	84.3	17%	0.169	43%	0.433	C	S	.	.			trans	-64.6	128.9	167.8	-63.1	-179.7	0	0	0	109.2	E770 H774 V1142	E770-I772 VanDerWaalsContact C-N 3.28Å; E770-I772 PolarHBondContact O-N 2.95Å; I772-H774 VanDerWaalsContact C-N 3.32Å; I772-H774 PolarHBondContact O-CD2 2.96Å; I772-H774 PolarHBondContact O-N 3.36Å; I772-V1142 HydrophobicContact CG2-CB 4.11Å; I772-V1142 HydrophobicContact CG2-CG2 3.57Å
773	L	51.9	Low	52.4	Low	61 Å²	61	88.5 Å²	88.5	32%	0.319	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	79.8	-176.7	-65.3	170.9	0	0	0	112.2	H771 P1135 F1141	H771-L773 PolarHBondContact O-N 2.94Å; L773-P1135 HydrophobicContact CD1-CG 3.63Å; L773-P1135 HydrophobicContact CD2-CG 4.11Å; L773-F1141 HydrophobicContact CB-CD2 3.94Å; L773-F1141 WeakPolarHBondContact O-CD2 3.29Å; L773-F1141 WeakPolarHBondContact O-CE2 3.43Å
774	H	50.4	Low	49.6	Very low	115 Å²	115	89.4 Å²	89.4	53%	0.532	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111	173.8	-73.1	-84.2	0	0	0	111.4	I772 D776 G777	I772-H774 VanDerWaalsContact C-N 3.32Å; I772-H774 PolarHBondContact O-CD2 2.96Å; I772-H774 PolarHBondContact O-N 3.36Å; H774-D776 PolarHBondContact O-N 3.14Å; H774-G777 PolarHBondContact O-N 2.99Å
775	A	44.2	Very low	46.8	Very low	40 Å²	40	94.6 Å²	94.6	33%	0.331	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.2	-175.4	0	0	0	0	0	115.9	F1141 P1144	A775-F1141 HydrophobicContact CB-CE2 4.32Å; A775-F1141 HydrophobicContact CB-CZ 4.44Å; A775-P1144 HydrophobicContact CB-CG 3.75Å
776	D	37.9	Very low	44.3	Very low	119 Å²	119	98.7 Å²	98.7	64%	0.636	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8	175.1	-65.3	-26.8	0	0	0	113.4	H774 P1144	H774-D776 PolarHBondContact O-N 3.14Å; D776-P1144 VanDerWaalsContact OD1-CB 3.31Å; D776-P1144 WeakPolarHBondContact OD1-CB 3.39Å; D776-P1144 WeakPolarHBondContact OD1-CG 3.39Å; D776-P1144 WeakPolarHBondContact OD2-CB 3.49Å
777	G	37.7	Very low	42	Very low	45 Å²	45	104.2 Å²	104.2	46%	0.464	56%	0.56	S	S	.	*	S	Bend	trans	-71	133.3	171.6	0	0	0	0	0	111	H774 I779	H774-G777 PolarHBondContact O-N 2.99Å; G777-I779 PolarHBondContact O-N 2.64Å; G777-I779 VanDerWaalsContact O-N 3.09Å
778	K	36	Very low	40.5	Very low	187 Å²	187	106.1 Å²	106.1	81%	0.813	56%	0.562	S	S	*	*			trans	-56.1	118.9	164.4	-81.1	-176.6	176.8	176.9	0	108.1	N780	K778-N780 PolarHBondContact O-N 3.33Å
779	I	40.6	Very low	39.3	Very low	97 Å²	97	112.7 Å²	112.7	50%	0.497	59%	0.593	S	S	.	*			trans	-74.3	70.9	177.5	-50	179.2	0	0	0	109	G777 F781	G777-I779 PolarHBondContact O-N 2.64Å; G777-I779 VanDerWaalsContact O-N 3.09Å; I779-F781 HydrophobicContact CG2-CD2 3.37Å; I779-F781 HydrophobicContact CG2-CE2 3.57Å; I779-F781 HydrophobicContact CG2-CG 4.32Å; I779-F781 PolarHBondContact O-N 2.98Å
780	N	26.7	Very low	38.5	Very low	129 Å²	129	118.1 Å²	118.1	69%	0.69	62%	0.617	S	S	*	*			trans	-78.7	67.4	171.9	-78.1	10.1	0	0	0	109.2	K778 T782	K778-N780 PolarHBondContact O-N 3.33Å; N780-T782 PolarHBondContact O-N 2.95Å
781	F	35.2	Very low	38.1	Very low	174 Å²	174	113.9 Å²	113.9	76%	0.763	60%	0.596	S	S	*	*			trans	-70.1	89.8	157	-77.1	-60.3	0	0	0	108	I779	I779-F781 HydrophobicContact CG2-CD2 3.37Å; I779-F781 HydrophobicContact CG2-CE2 3.57Å; I779-F781 HydrophobicContact CG2-CG 4.32Å; I779-F781 PolarHBondContact O-N 2.98Å
782	T	29.1	Very low	38	Very low	99 Å²	99	111.8 Å²	111.8	61%	0.607	59%	0.591	S	S	*	*			trans	-56.3	135.8	151.8	34.7	0	0	0	0	107.8	N780 D784	N780-T782 PolarHBondContact O-N 2.95Å; T782-D784 PolarHBondContact O-N 3.23Å
783	S	32.5	Very low	38	Very low	96 Å²	96	110.9 Å²	110.9	67%	0.671	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-8.7	-161.4	42.3	0	0	0	0	115.9
784	D	33.2	Very low	39	Very low	141 Å²	141	110.4 Å²	110.4	75%	0.754	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	-11.3	-153.7	-55.9	-10.4	0	0	0	113.3	T782	T782-D784 PolarHBondContact O-N 3.23Å
785	D	32.9	Very low	40.5	Very low	115 Å²	115	106.7 Å²	106.7	62%	0.615	57%	0.572	S	S	*	*			trans	-90.8	8.7	-179.9	-76.1	-58.9	0	0	0	114.7	N787 K788	D785-N787 PolarHBondContact O-N 2.87Å; D785-K788 PolarHBondContact O-N 3.24Å
786	C	33.2	Very low	42.5	Very low	108 Å²	108	105.7 Å²	105.7	73%	0.73	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	3.2	-174.9	-92.5	0	0	0	0	117.2
787	N	31	Very low	45	Very low	166 Å²	166	100.2 Å²	100.2	89%	0.888	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	10	-176.5	-84.3	-44.7	0	0	0	115	D785	D785-N787 PolarHBondContact O-N 2.87Å
788	K	32.1	Very low	47.4	Very low	172 Å²	172	98.7 Å²	98.7	75%	0.748	52%	0.517	S	S	*	.	S	Bend	trans	-134.8	147.8	173	-68.5	-178.5	-178	173.7	0	111.4	D785	D785-K788 PolarHBondContact O-N 3.24Å
789	Q	33.5	Very low	49.9	Very low	154 Å²	154	91.5 Å²	91.5	72%	0.72	49%	0.487	S	S	*	.			trans	52.1	59.4	172.7	-69.8	166.4	-69.8	0	0	116.4	K791	Q789-K791 VanDerWaalsContact C-N 3.32Å
790	Q	36.9	Very low	52.4	Low	155 Å²	155	86.9 Å²	86.9	72%	0.724	46%	0.463	S	S	*	.			trans	-96.9	43.4	161.7	-162.7	163.1	81.9	0	0	111.9	S792	Q790-S792 PolarHBondContact O-N 2.9Å
791	K	41.8	Very low	55.5	Low	94 Å²	94	83.5 Å²	83.5	41%	0.409	44%	0.44	S	S	.	.			trans	-74.8	107	174.4	-87.6	173.1	147.9	-118.7	0	109.6	T765 E768 Q789	T765-K791 PolarHBondContact OG1-NZ 3.13Å; E768-K791 HydrophobicContact CG-CB 4.31Å; E768-K791 HydrophobicContact CG-CD 4.23Å; E768-K791 VanDerWaalsContact OE1-CD 3.24Å; E768-K791 WeakPolarHBondContact OE1-CD 3.32Å; E768-K791 VanDerWaalsContact OE1-CE 3.32Å; E768-K791 WeakPolarHBondContact OE1-CE 3.45Å; E768-K791 IonicContact OE1-NZ 3.53Å; E768-K791 PolarHBondContact OE1-NZ 3.12Å; Q789-K791 VanDerWaalsContact C-N 3.32Å
792	S	46.4	Very low	58.2	Low	48 Å²	48	77 Å²	77	34%	0.336	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-76	128	169.3	-173.2	0	0	0	0	109.3	Q790 C794 G1138	Q790-S792 PolarHBondContact O-N 2.9Å; S792-C794 PolarHBondContact O-N 3.28Å; S792-G1138 PolarHBondContact OG-O 2.98Å; S792-G1138 VanDerWaalsContact OG-O 3.04Å
793	V	54	Low	61.2	Low	14 Å²	14	72.9 Å²	72.9	9%	0.085	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-50.6	122.8	171	-178.5	0	0	0	0	108.9	E768 H771 I795 V797 P1140	E768-V793 HydrophobicContact CB-CG2 4.5Å; E768-V793 VanDerWaalsContact O-CG2 3.25Å; E768-V793 WeakPolarHBondContact O-CG2 3.18Å; H771-V793 HydrophobicContact CB-CG2 4.21Å; V793-I795 PolarHBondContact O-N 3.43Å; V793-V797 HydrophobicContact CG1-CG1 4.44Å; V793-P1140 HydrophobicContact CB-CG 4.21Å; V793-P1140 HydrophobicContact CG1-CG 4.31Å; V793-P1140 WeakPolarHBondContact O-CD 3.41Å; V793-P1140 WeakPolarHBondContact O-CG 3.42Å
794	C	74.3	Confident	64.2	Low	51 Å²	51	68.3 Å²	68.3	35%	0.345	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-62	133.9	-176.7	-177.1	0	0	0	0	110.7	S792 G796 V797 E798	S792-C794 PolarHBondContact O-N 3.28Å; C794-G796 PolarHBondContact O-N 3.07Å; C794-V797 HydrophobicContact CB-CB 4.42Å; C794-V797 HydrophobicContact CB-CG2 3.99Å; C794-V797 WeakPolarHBondContact O-CB 3.41Å; C794-V797 PolarHBondContact O-N 3.06Å; C794-E798 PolarHBondContact O-N 3.36Å
795	I	82.3	Confident	67.2	Low	37 Å²	37	63.4 Å²	63.4	19%	0.19	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-32.6	-179	-65.3	163.7	0	0	0	111	V793 V797 E798 Q799 L1100 P1140 V1188 L1198	V793-I795 PolarHBondContact O-N 3.43Å; I795-V797 VanDerWaalsContact C-N 3.35Å; I795-V797 PolarHBondContact O-N 2.89Å; I795-E798 PolarHBondContact O-N 2.95Å; I795-Q799 WeakPolarHBondContact O-CB 3.27Å; I795-Q799 PolarHBondContact O-N 2.83Å; I795-L1100 HydrophobicContact CG2-CD1 3.88Å; I795-L1100 HydrophobicContact CG2-CD2 3.99Å; I795-P1140 HydrophobicContact CG1-CG 4.34Å; I795-V1188 HydrophobicContact CD1-CG1 3.76Å; I795-V1188 HydrophobicContact CD1-CG2 4.33Å; I795-V1188 HydrophobicContact CG1-CG1 4.26Å; I795-V1188 HydrophobicContact CG1-CG2 4.19Å; I795-V1188 HydrophobicContact CG2-CG2 3.97Å; I795-L1198 HydrophobicContact CD1-CD1 4.39Å; I795-L1198 HydrophobicContact CD1-CD2 3.65Å; I795-L1198 HydrophobicContact CD1-CG 4.21Å
796	G	86.2	Confident	70.1	Confident	19 Å²	19	60.5 Å²	60.5	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-34	174.3	0	0	0	0	0	113.8	C794 Q799 F800	C794-G796 PolarHBondContact O-N 3.07Å; G796-Q799 PolarHBondContact O-N 2.95Å; G796-F800 WeakPolarHBondContact O-CB 3.46Å; G796-F800 PolarHBondContact O-N 2.88Å
797	V	90.1	Very high	73.1	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-50.2	174.4	168.1	0	0	0	0	110.3	L569 F762 Y763 Y764 V793 C794 I795 Q799 R801	L569-V797 HydrophobicContact CD2-CG1 3.86Å; F762-V797 HydrophobicContact CE2-CG2 4.04Å; F762-V797 HydrophobicContact CZ-CG2 3.89Å; Y763-V797 WeakPolarHBondContact O-CG2 3.12Å; Y764-V797 HydrophobicContact CD2-CG1 3.76Å; Y764-V797 HydrophobicContact CD2-CG2 4.16Å; Y764-V797 HydrophobicContact CE2-CG1 4.29Å; V793-V797 HydrophobicContact CG1-CG1 4.44Å; C794-V797 HydrophobicContact CB-CB 4.42Å; C794-V797 HydrophobicContact CB-CG2 3.99Å; C794-V797 WeakPolarHBondContact O-CB 3.41Å; C794-V797 PolarHBondContact O-N 3.06Å; I795-V797 VanDerWaalsContact C-N 3.35Å; I795-V797 PolarHBondContact O-N 2.89Å; V797-Q799 VanDerWaalsContact C-N 3.34Å; V797-Q799 PolarHBondContact O-N 3.23Å; V797-R801 VanDerWaalsContact O-CB 3.31Å; V797-R801 WeakPolarHBondContact O-CB 3.42Å; V797-R801 PolarHBondContact O-N 3.11Å
798	E	87.1	Confident	76.3	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-33.8	179.5	177.8	62.6	173.7	0	0	112.3	C794 I795 R801 R802 P1140 A1186	C794-E798 PolarHBondContact O-N 3.36Å; I795-E798 PolarHBondContact O-N 2.95Å; E798-R801 IonicContact OE1-NH2 2.67Å; E798-R801 PolarHBondContact OE1-NH2 3.15Å; E798-R801 IonicContact OE2-CZ 3.73Å; E798-R801 IonicContact OE2-NE 3.63Å; E798-R801 PolarHBondContact OE2-NE 3.27Å; E798-R801 IonicContact OE2-NH2 3.85Å; E798-R801 PolarHBondContact OE2-NH2 3.07Å; E798-R802 WeakPolarHBondContact O-CD 3.44Å; E798-R802 WeakPolarHBondContact O-CG 3.38Å; E798-R802 PolarHBondContact O-N 3.47Å; E798-R802 VanDerWaalsContact OE1-CD 3.31Å; E798-R802 WeakPolarHBondContact OE1-CD 3.46Å; E798-R802 IonicContact OE1-CZ 2.73Å; E798-R802 IonicContact OE1-NE 3.18Å; E798-R802 IonicContact OE1-NH1 2.89Å; E798-R802 PolarHBondContact OE1-NH1 3.28Å; E798-P1140 HydrophobicContact CB-CB 4.23Å; E798-P1140 HydrophobicContact CB-CG 4.06Å; E798-P1140 HydrophobicContact CG-CB 4.17Å; E798-A1186 HydrophobicContact CG-CB 3.82Å
799	Q	89.1	Confident	79.3	Confident	37 Å²	37	41.5 Å²	41.5	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-55	174.3	-167.6	-175	-24.7	0	0	110.9	Y759 I795 G796 V797 R801 R802 D803	Y759-Q799 HydrophobicContact CE1-CB 4.35Å; Y759-Q799 HydrophobicContact CE1-CG 4.06Å; I795-Q799 WeakPolarHBondContact O-CB 3.27Å; I795-Q799 PolarHBondContact O-N 2.83Å; G796-Q799 PolarHBondContact O-N 2.95Å; V797-Q799 VanDerWaalsContact C-N 3.34Å; V797-Q799 PolarHBondContact O-N 3.23Å; Q799-R801 VanDerWaalsContact C-N 3.32Å; Q799-R801 PolarHBondContact O-N 2.96Å; Q799-R802 PolarHBondContact O-N 3Å; Q799-D803 WeakPolarHBondContact O-CB 3.25Å; Q799-D803 VanDerWaalsContact O-CG 3.24Å; Q799-D803 PolarHBondContact O-N 3.25Å
800	F	93.3	Very high	82.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.5	-45.2	176.5	167.3	-118.6	0	0	0	112.1	L569 A570 F680 F733 F735 Y759 F762 G796 R802 D803 F804	L569-F800 HydrophobicContact CB-CE1 4.49Å; L569-F800 HydrophobicContact CD2-CD1 3.83Å; L569-F800 HydrophobicContact CD2-CE1 4.09Å; L569-F800 HydrophobicContact CG-CD1 4.3Å; L569-F800 HydrophobicContact CG-CE1 4.06Å; A570-F800 HydrophobicContact CB-CE1 4.42Å; A570-F800 HydrophobicContact CB-CZ 4.04Å; F680-F800 HydrophobicContact CE1-CE2 4.42Å; F680-F800 HydrophobicContact CE1-CZ 4.34Å; F733-F800 HydrophobicContact CD1-CD2 4Å; F733-F800 AromaticContact CD1-CE2 3.74Å; F733-F800 HydrophobicContact CD1-CE2 3.74Å; F733-F800 HydrophobicContact CE1-CD2 4.25Å; F733-F800 HydrophobicContact CE1-CE2 4.04Å; F735-F800 HydrophobicContact CE1-CD1 4.11Å; F735-F800 AromaticContact CE1-CD2 3.68Å; F735-F800 HydrophobicContact CE1-CD2 3.68Å; F735-F800 HydrophobicContact CE1-CE1 4.27Å; F735-F800 AromaticContact CE1-CE2 3.86Å; F735-F800 HydrophobicContact CE1-CE2 3.86Å; F735-F800 AromaticContact CE1-CG 3.82Å; F735-F800 HydrophobicContact CE1-CG 3.82Å; F735-F800 HydrophobicContact CE1-CZ 4.16Å; F735-F800 AromaticContact CZ-CD2 3.86Å; F735-F800 HydrophobicContact CZ-CD2 3.86Å; F735-F800 HydrophobicContact CZ-CE1 4.46Å; F735-F800 AromaticContact CZ-CE2 3.6Å; F735-F800 HydrophobicContact CZ-CE2 3.6Å; F735-F800 HydrophobicContact CZ-CG 4.41Å; F735-F800 AromaticContact CZ-CZ 3.93Å; F735-F800 HydrophobicContact CZ-CZ 3.93Å; Y759-F800 HydrophobicContact CD1-CB 4.06Å; Y759-F800 HydrophobicContact CD2-CB 4.38Å; Y759-F800 HydrophobicContact CD2-CD2 4.37Å; Y759-F800 HydrophobicContact CE1-CB 3.92Å; Y759-F800 HydrophobicContact CE2-CB 4.26Å; Y759-F800 AromaticContact CE2-CD2 3.89Å; Y759-F800 HydrophobicContact CE2-CD2 3.89Å; Y759-F800 HydrophobicContact CE2-CG 4.49Å; Y759-F800 HydrophobicContact CG-CB 4.31Å; F762-F800 HydrophobicContact CE2-CB 3.85Å; F762-F800 HydrophobicContact CE2-CD1 4.06Å; F762-F800 HydrophobicContact CE2-CG 4.24Å; F762-F800 AromaticContact CZ-CD1 3.97Å; F762-F800 HydrophobicContact CZ-CD1 3.97Å; G796-F800 WeakPolarHBondContact O-CB 3.46Å; G796-F800 PolarHBondContact O-N 2.88Å; F800-R802 VanDerWaalsContact C-N 3.31Å; F800-R802 PolarHBondContact O-N 3.48Å; F800-D803 PolarHBondContact O-N 2.95Å; F800-F804 HydrophobicContact CD2-CB 4.06Å; F800-F804 HydrophobicContact CE2-CB 3.64Å; F800-F804 HydrophobicContact CE2-CD1 4.31Å; F800-F804 HydrophobicContact CE2-CD2 4.22Å; F800-F804 AromaticContact CE2-CG 3.82Å; F800-F804 HydrophobicContact CE2-CG 3.82Å; F800-F804 HydrophobicContact CZ-CB 4.1Å; F800-F804 HydrophobicContact CZ-CD1 4.02Å; F800-F804 HydrophobicContact CZ-CG 4.01Å; F800-F804 WeakPolarHBondContact O-CB 3.35Å; F800-F804 PolarHBondContact O-N 2.95Å
801	R	92.4	Very high	84.8	Confident	57 Å²	57	29.7 Å²	29.7	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-55.4	-46.2	178.5	-173.3	173.3	74.4	140.8	1.4	111.8	R573 V797 E798 Q799 D805	R573-R801 HydrophobicContact CG-CG 4.35Å; V797-R801 VanDerWaalsContact O-CB 3.31Å; V797-R801 WeakPolarHBondContact O-CB 3.42Å; V797-R801 PolarHBondContact O-N 3.11Å; E798-R801 IonicContact OE1-NH2 2.67Å; E798-R801 PolarHBondContact OE1-NH2 3.15Å; E798-R801 IonicContact OE2-CZ 3.73Å; E798-R801 IonicContact OE2-NE 3.63Å; E798-R801 PolarHBondContact OE2-NE 3.27Å; E798-R801 IonicContact OE2-NH2 3.85Å; E798-R801 PolarHBondContact OE2-NH2 3.07Å; Q799-R801 VanDerWaalsContact C-N 3.32Å; Q799-R801 PolarHBondContact O-N 2.96Å; R801-D805 WeakPolarHBondContact O-CB 3.05Å; R801-D805 PolarHBondContact O-N 2.99Å; R801-D805 VanDerWaalsContact O-N 3.08Å; R801-D805 VanDerWaalsContact O-OD1 3.14Å
802	R	91.4	Very high	87.4	Confident	37 Å²	37	25.4 Å²	25.4	14%	0.14	13%	0.134	C	C	.	.	H	α-helix	trans	-75.7	-36	-177.5	-64.1	174.1	94.4	80.9	12.4	112.8	E798 Q799 F800 R806 N1184	E798-R802 WeakPolarHBondContact O-CD 3.44Å; E798-R802 WeakPolarHBondContact O-CG 3.38Å; E798-R802 PolarHBondContact O-N 3.47Å; E798-R802 VanDerWaalsContact OE1-CD 3.31Å; E798-R802 WeakPolarHBondContact OE1-CD 3.46Å; E798-R802 IonicContact OE1-CZ 2.73Å; E798-R802 IonicContact OE1-NE 3.18Å; E798-R802 IonicContact OE1-NH1 2.89Å; E798-R802 PolarHBondContact OE1-NH1 3.28Å; Q799-R802 PolarHBondContact O-N 3Å; F800-R802 VanDerWaalsContact C-N 3.31Å; F800-R802 PolarHBondContact O-N 3.48Å; R802-R806 PolarHBondContact O-N 2.83Å; R802-N1184 HydrophobicContact CB-CB 4.36Å; R802-N1184 VanDerWaalsContact CD-O 3.31Å; R802-N1184 WeakPolarHBondContact CD-O 3.23Å; R802-N1184 PolarHBondContact NE-O 2.88Å; R802-N1184 PolarHBondContact NH2-ND2 3.4Å; R802-N1184 PolarHBondContact NH2-OD1 2.59Å
803	D	92.7	Very high	89.8	Confident	14 Å²	14	23.1 Å²	23.1	8%	0.075	12%	0.118	C	C	.	.	H	α-helix	trans	-68.1	-44	175.7	-69.8	-17.4	0	0	0	111.1	Y759 Q799 F800 R806 Y807 I1183	Y759-D803 WeakPolarHBondContact OH-CB 3.42Å; Y759-D803 PolarHBondContact OH-OD2 3.16Å; Q799-D803 WeakPolarHBondContact O-CB 3.25Å; Q799-D803 VanDerWaalsContact O-CG 3.24Å; Q799-D803 PolarHBondContact O-N 3.25Å; F800-D803 PolarHBondContact O-N 2.95Å; D803-R806 PolarHBondContact O-N 3.26Å; D803-Y807 VanDerWaalsContact O-CB 3.31Å; D803-Y807 WeakPolarHBondContact O-CB 3.22Å; D803-Y807 PolarHBondContact O-N 3.08Å; D803-I1183 WeakPolarHBondContact OD1-CG2 3.43Å
804	F	95.6	Very high	91.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-70.8	-39.3	-179.5	-168.6	-126.2	0	0	0	112.1	F553 R573 L574 F680 F733 F800 R806 Y807 L808	F553-F804 HydrophobicContact CE1-CZ 4.38Å; R573-F804 HydrophobicContact CB-CD1 3.74Å; R573-F804 HydrophobicContact CB-CE1 4.02Å; R573-F804 HydrophobicContact CG-CD1 4.43Å; L574-F804 HydrophobicContact CB-CE1 4.31Å; F680-F804 HydrophobicContact CE1-CE2 4.03Å; F680-F804 HydrophobicContact CE1-CZ 4.2Å; F680-F804 AromaticContact CZ-CE2 3.63Å; F680-F804 HydrophobicContact CZ-CE2 3.63Å; F680-F804 AromaticContact CZ-CZ 3.74Å; F680-F804 HydrophobicContact CZ-CZ 3.74Å; F733-F804 HydrophobicContact CE1-CB 4.49Å; F733-F804 HydrophobicContact CE1-CD2 4.03Å; F733-F804 HydrophobicContact CE2-CD2 4.44Å; F733-F804 AromaticContact CZ-CD2 3.88Å; F733-F804 HydrophobicContact CZ-CD2 3.88Å; F800-F804 HydrophobicContact CD2-CB 4.06Å; F800-F804 HydrophobicContact CE2-CB 3.64Å; F800-F804 HydrophobicContact CE2-CD1 4.31Å; F800-F804 HydrophobicContact CE2-CD2 4.22Å; F800-F804 AromaticContact CE2-CG 3.82Å; F800-F804 HydrophobicContact CE2-CG 3.82Å; F800-F804 HydrophobicContact CZ-CB 4.1Å; F800-F804 HydrophobicContact CZ-CD1 4.02Å; F800-F804 HydrophobicContact CZ-CG 4.01Å; F800-F804 WeakPolarHBondContact O-CB 3.35Å; F800-F804 PolarHBondContact O-N 2.95Å; F804-R806 VanDerWaalsContact C-N 3.3Å; F804-R806 PolarHBondContact O-N 2.69Å; F804-Y807 AromaticContact CD2-CD1 3.94Å; F804-Y807 HydrophobicContact CD2-CD1 3.94Å; F804-Y807 HydrophobicContact CD2-CG 4.47Å; F804-Y807 AromaticContact CE2-CD1 3.93Å; F804-Y807 HydrophobicContact CE2-CD1 3.93Å; F804-Y807 HydrophobicContact CE2-CE1 4.47Å; F804-Y807 WeakPolarHBondContact O-CB 3.44Å; F804-Y807 PolarHBondContact O-N 3.21Å; F804-Y807 VanDerWaalsContact O-N 3.1Å; F804-L808 HydrophobicContact CD1-CD1 4.07Å; F804-L808 HydrophobicContact CD2-CG 4.31Å; F804-L808 HydrophobicContact CE1-CD1 3.68Å; F804-L808 HydrophobicContact CE1-CG 4.23Å; F804-L808 HydrophobicContact CE2-CD1 4.35Å; F804-L808 HydrophobicContact CE2-CD2 3.91Å; F804-L808 HydrophobicContact CE2-CG 4Å; F804-L808 HydrophobicContact CZ-CD1 3.83Å; F804-L808 HydrophobicContact CZ-CD2 3.87Å; F804-L808 HydrophobicContact CZ-CG 3.96Å; F804-L808 WeakPolarHBondContact O-CG 3.5Å; F804-L808 PolarHBondContact O-N 3.12Å
805	D	95.4	Very high	92.9	Very high	38 Å²	38	20.8 Å²	20.8	20%	0.203	10%	0.101	C	C	.	.	H	α-helix	trans	-54.7	-44.3	169.8	-82.9	19.9	0	0	0	111.8	R573 L577 R801 T809	R573-D805 IonicContact CZ-OD1 3.63Å; R573-D805 VanDerWaalsContact CZ-OD1 3.27Å; R573-D805 IonicContact CZ-OD2 3.01Å; R573-D805 IonicContact NE-OD1 3.68Å; R573-D805 PolarHBondContact NE-OD1 3.39Å; R573-D805 IonicContact NE-OD2 3.37Å; R573-D805 IonicContact NH2-OD1 2.73Å; R573-D805 PolarHBondContact NH2-OD1 3.08Å; R573-D805 IonicContact NH2-OD2 3.45Å; R573-D805 PolarHBondContact NH2-OD2 2.87Å; L577-D805 HydrophobicContact CD1-CB 4.11Å; L577-D805 WeakPolarHBondContact CD1-OD1 3.13Å; R801-D805 WeakPolarHBondContact O-CB 3.05Å; R801-D805 PolarHBondContact O-N 2.99Å; R801-D805 VanDerWaalsContact O-N 3.08Å; R801-D805 VanDerWaalsContact O-OD1 3.14Å; D805-T809 WeakPolarHBondContact O-CB 3.3Å; D805-T809 WeakPolarHBondContact O-CG2 3.45Å; D805-T809 PolarHBondContact O-N 3.24Å; D805-T809 PolarHBondContact O-OG1 3.24Å
806	R	94.1	Very high	93.6	Very high	53 Å²	53	19 Å²	19	20%	0.2	9%	0.092	C	C	.	.	H	α-helix	trans	-67.1	-44.3	172.9	171.7	66.8	179.4	-176.8	-3.6	111.2	D460 R802 D803 F804 L808 T809 R810 D851 P1182	D460-R806 IonicContact OD2-CZ 2.82Å; D460-R806 IonicContact OD2-NH1 2.78Å; D460-R806 PolarHBondContact OD2-NH1 3.41Å; D460-R806 IonicContact OD2-NH2 3.27Å; D460-R806 PolarHBondContact OD2-NH2 2.64Å; R802-R806 PolarHBondContact O-N 2.83Å; D803-R806 PolarHBondContact O-N 3.26Å; F804-R806 VanDerWaalsContact C-N 3.3Å; F804-R806 PolarHBondContact O-N 2.69Å; R806-L808 VanDerWaalsContact C-N 3.29Å; R806-L808 PolarHBondContact O-N 3.42Å; R806-T809 PolarHBondContact O-N 3.29Å; R806-R810 HydrophobicContact CG-CB 4.5Å; R806-R810 WeakPolarHBondContact O-CB 3.4Å; R806-R810 VanDerWaalsContact O-CG 3.32Å; R806-R810 WeakPolarHBondContact O-CG 3.44Å; R806-R810 PolarHBondContact O-N 3.49Å; R806-D851 IonicContact CZ-OD1 3.56Å; R806-D851 IonicContact NE-OD1 3.74Å; R806-D851 PolarHBondContact NE-OD1 3.2Å; R806-D851 IonicContact NE-OD2 3.67Å; R806-D851 IonicContact NH2-OD1 2.96Å; R806-D851 PolarHBondContact NH2-OD1 3.34Å; R806-P1182 VanDerWaalsContact CD-O 3.29Å; R806-P1182 WeakPolarHBondContact CD-O 3.46Å; R806-P1182 WeakPolarHBondContact CG-O 3.41Å; R806-P1182 PolarHBondContact NE-O 3.17Å; R806-P1182 VanDerWaalsContact NE-O 3.13Å
807	Y	96	Very high	94.2	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-36.2	-178.1	177.1	-92.6	0	0	0	113.7	R676 T678 D731 F733 H757 D803 F804 R810	R676-Y807 WeakPolarHBondContact CD-OH 3.43Å; R676-Y807 VanDerWaalsContact CZ-OH 3.28Å; R676-Y807 PolarHBondContact NE-OH 2.96Å; R676-Y807 VanDerWaalsContact NE-OH 3.08Å; R676-Y807 PolarHBondContact NH1-O 3.21Å; R676-Y807 PolarHBondContact NH1-OH 3.15Å; T678-Y807 HydrophobicContact CG2-CD1 4.48Å; T678-Y807 HydrophobicContact CG2-CE1 3.52Å; T678-Y807 PolarHBondContact OG1-OH 3.31Å; T678-Y807 VanDerWaalsContact OG1-OH 3.14Å; D731-Y807 HydrophobicContact CB-CE2 3.73Å; D731-Y807 VanDerWaalsContact CB-OH 3.26Å; D731-Y807 WeakPolarHBondContact CB-OH 3.32Å; D731-Y807 VanDerWaalsContact CG-CE2 3.48Å; D731-Y807 VanDerWaalsContact CG-OH 3.3Å; D731-Y807 WeakPolarHBondContact OD2-CE2 3.5Å; D731-Y807 VanDerWaalsContact OD2-CZ 3.28Å; D731-Y807 PolarHBondContact OD2-OH 2.79Å; F733-Y807 AromaticContact CE2-CD1 3.98Å; F733-Y807 HydrophobicContact CE2-CD1 3.98Å; F733-Y807 AromaticContact CE2-CD2 3.93Å; F733-Y807 HydrophobicContact CE2-CD2 3.93Å; F733-Y807 HydrophobicContact CE2-CE1 4.01Å; F733-Y807 AromaticContact CE2-CE2 3.95Å; F733-Y807 HydrophobicContact CE2-CE2 3.95Å; F733-Y807 AromaticContact CE2-CG 3.97Å; F733-Y807 HydrophobicContact CE2-CG 3.97Å; F733-Y807 AromaticContact CZ-CD1 3.94Å; F733-Y807 HydrophobicContact CZ-CD1 3.94Å; F733-Y807 AromaticContact CZ-CD2 3.79Å; F733-Y807 HydrophobicContact CZ-CD2 3.79Å; F733-Y807 HydrophobicContact CZ-CE1 4.43Å; F733-Y807 HydrophobicContact CZ-CE2 4.29Å; F733-Y807 AromaticContact CZ-CG 3.62Å; F733-Y807 HydrophobicContact CZ-CG 3.62Å; H757-Y807 AromaticContact NE2-CD2 3.8Å; H757-Y807 AromaticContact NE2-CE2 3.97Å; D803-Y807 VanDerWaalsContact O-CB 3.31Å; D803-Y807 WeakPolarHBondContact O-CB 3.22Å; D803-Y807 PolarHBondContact O-N 3.08Å; F804-Y807 AromaticContact CD2-CD1 3.94Å; F804-Y807 HydrophobicContact CD2-CD1 3.94Å; F804-Y807 HydrophobicContact CD2-CG 4.47Å; F804-Y807 AromaticContact CE2-CD1 3.93Å; F804-Y807 HydrophobicContact CE2-CD1 3.93Å; F804-Y807 HydrophobicContact CE2-CE1 4.47Å; F804-Y807 WeakPolarHBondContact O-CB 3.44Å; F804-Y807 PolarHBondContact O-N 3.21Å; F804-Y807 VanDerWaalsContact O-N 3.1Å; Y807-R810 VanDerWaalsContact CE2-NH2 3.34Å
808	L	96.9	Very high	94.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-75.8	-38.8	175.4	-67.7	-179.3	0	0	0	112.5	F553 L574 L577 I581 P582 F804 R806	F553-L808 HydrophobicContact CE1-CD2 3.76Å; F553-L808 HydrophobicContact CZ-CD2 3.75Å; L574-L808 HydrophobicContact CB-CD1 4.44Å; L574-L808 HydrophobicContact CD1-CD1 3.83Å; L574-L808 HydrophobicContact CD1-CD2 3.71Å; L574-L808 HydrophobicContact CD1-CG 4.45Å; L577-L808 HydrophobicContact CB-CD1 4.12Å; L577-L808 HydrophobicContact CD1-CD1 4.13Å; I581-L808 WeakPolarHBondContact CA-O 3.37Å; I581-L808 HydrophobicContact CD1-CD2 4.43Å; I581-L808 HydrophobicContact CG1-CB 4.48Å; P582-L808 WeakPolarHBondContact CD-O 3.25Å; F804-L808 HydrophobicContact CD1-CD1 4.07Å; F804-L808 HydrophobicContact CD2-CG 4.31Å; F804-L808 HydrophobicContact CE1-CD1 3.68Å; F804-L808 HydrophobicContact CE1-CG 4.23Å; F804-L808 HydrophobicContact CE2-CD1 4.35Å; F804-L808 HydrophobicContact CE2-CD2 3.91Å; F804-L808 HydrophobicContact CE2-CG 4Å; F804-L808 HydrophobicContact CZ-CD1 3.83Å; F804-L808 HydrophobicContact CZ-CD2 3.87Å; F804-L808 HydrophobicContact CZ-CG 3.96Å; F804-L808 WeakPolarHBondContact O-CG 3.5Å; F804-L808 PolarHBondContact O-N 3.12Å; R806-L808 VanDerWaalsContact C-N 3.29Å; R806-L808 PolarHBondContact O-N 3.42Å
809	T	95.9	Very high	95.1	Very high	46 Å²	46	23.1 Å²	23.1	28%	0.282	11%	0.105	S	C	.	.	H	α-helix	trans	-102.2	-10.7	-170.4	62.2	0	0	0	0	115.6	L577 R580 D805 R806	L577-T809 HydrophobicContact CD1-CG2 4.47Å; L577-T809 HydrophobicContact CD2-CG2 4.34Å; R580-T809 HydrophobicContact CB-CG2 3.88Å; D805-T809 WeakPolarHBondContact O-CB 3.3Å; D805-T809 WeakPolarHBondContact O-CG2 3.45Å; D805-T809 PolarHBondContact O-N 3.24Å; D805-T809 PolarHBondContact O-OG1 3.24Å; R806-T809 PolarHBondContact O-N 3.29Å
810	R	94	Very high	95.5	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.019	10%	0.097	C	C	.	.	S	Bend	trans	-61.4	142.4	174.2	66.7	-175.5	-177.3	176.2	2.8	110.6	P582 D731 R806 Y807 P850 D851	P582-R810 WeakPolarHBondContact CG-O 3.46Å; D731-R810 IonicContact OD1-NH2 2.94Å; D731-R810 IonicContact OD2-NH2 2.73Å; R806-R810 HydrophobicContact CG-CB 4.5Å; R806-R810 WeakPolarHBondContact O-CB 3.4Å; R806-R810 VanDerWaalsContact O-CG 3.32Å; R806-R810 WeakPolarHBondContact O-CG 3.44Å; R806-R810 PolarHBondContact O-N 3.49Å; Y807-R810 VanDerWaalsContact CE2-NH2 3.34Å; R810-P850 HydrophobicContact CB-CG 3.94Å; R810-P850 HydrophobicContact CG-CG 4.46Å; R810-D851 WeakPolarHBondContact CD-OD2 3.4Å; R810-D851 IonicContact CZ-OD2 3.23Å; R810-D851 IonicContact NE-OD2 2.76Å; R810-D851 IonicContact NH1-OD2 2.76Å; R810-D851 PolarHBondContact NH1-OD2 2.95Å
811	K	92.5	Very high	95.7	Very high	56 Å²	56	23.3 Å²	23.3	24%	0.243	10%	0.104	C	C	.	.			trans	-57.1	153.1	171.4	69.9	163.2	-167.2	-83	0	110.6	F458 R459 D460 P850	F458-K811 HydrophobicContact CE1-CD 3.87Å; F458-K811 VanDerWaalsContact CE1-CE 3.43Å; F458-K811 HydrophobicContact CE1-CG 3.98Å; F458-K811 HydrophobicContact CZ-CD 3.95Å; F458-K811 HydrophobicContact CZ-CG 4.49Å; F458-K811 WeakPolarHBondContact O-CE 3.35Å; F458-K811 PolarHBondContact O-NZ 2.87Å; R459-K811 VanDerWaalsContact C-NZ 3.26Å; R459-K811 PolarHBondContact O-NZ 2.92Å; D460-K811 IonicContact OD1-NZ 2.67Å; D460-K811 PolarHBondContact OD1-NZ 3.07Å; K811-P850 HydrophobicContact CG-CB 4.06Å; K811-P850 HydrophobicContact CG-CG 3.88Å; K811-P850 WeakPolarHBondContact O-CD 3.45Å
812	L	95.6	Very high	96	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	10%	0.1	C	C	.	.			trans	-138.2	143.9	177.9	-159.7	68.5	0	0	0	110.4	Y551 R676 F814 N847	Y551-L812 HydrophobicContact CE1-CD2 4.08Å; R676-L812 HydrophobicContact CB-CD2 4.47Å; L812-F814 HydrophobicContact CD2-CD1 4.47Å; L812-F814 HydrophobicContact CD2-CE1 3.83Å; L812-F814 HydrophobicContact CD2-CE2 4.3Å; L812-F814 HydrophobicContact CD2-CZ 3.74Å; L812-N847 HydrophobicContact CD1-CB 4.25Å; L812-N847 HydrophobicContact CD2-CB 4.46Å; L812-N847 HydrophobicContact CG-CB 4.46Å
813	G	97.2	Very high	96.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.7	165.8	0	0	0	0	0	110.5	N847 V848 T879	G813-N847 CarbonylContact O-C 3.52Å; G813-N847 WeakPolarHBondContact O-CA 3.37Å; G813-V848 PolarHBondContact N-O 3.01Å; G813-V848 PolarHBondContact O-N 2.91Å; G813-T879 CarbonylContact C-O 3.52Å; G813-T879 WeakPolarHBondContact CA-O 3.25Å
814	F	97.6	Very high	96.4	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	160.8	178.9	-61.9	-89.7	0	0	0	111.4	Q547 A549 Y551 L812 A816 T879	Q547-F814 HydrophobicContact CG-CB 4.13Å; A549-F814 HydrophobicContact CB-CE2 3.72Å; A549-F814 HydrophobicContact CB-CZ 3.8Å; Y551-F814 HydrophobicContact CE1-CZ 4.14Å; Y551-F814 HydrophobicContact CE2-CZ 4.42Å; Y551-F814 AromaticContact CZ-CZ 3.81Å; L812-F814 HydrophobicContact CD2-CD1 4.47Å; L812-F814 HydrophobicContact CD2-CE1 3.83Å; L812-F814 HydrophobicContact CD2-CE2 4.3Å; L812-F814 HydrophobicContact CD2-CZ 3.74Å; F814-A816 PolarHBondContact O-N 3.08Å; F814-A816 VanDerWaalsContact O-N 3.09Å; F814-T879 PolarHBondContact N-O 2.76Å; F814-T879 PolarHBondContact O-N 3.3Å
815	E	96.2	Very high	96.3	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.065	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	44.5	47	173.6	48	180	-170.5	0	0	112.5	R544 Q547 Q727 P846 T879 R885	R544-E815 IonicContact CZ-OE2 2.72Å; R544-E815 VanDerWaalsContact CZ-OE2 3.28Å; R544-E815 IonicContact NE-OE2 3.7Å; R544-E815 PolarHBondContact NE-OE2 2.66Å; R544-E815 IonicContact NH2-OE2 2.66Å; R544-E815 PolarHBondContact NH2-OE2 3.47Å; Q547-E815 HydrophobicContact CG-CG 4.21Å; Q547-E815 PolarHBondContact N-OE1 3Å; Q547-E815 VanDerWaalsContact NE2-CG 3.34Å; Q547-E815 PolarHBondContact NE2-OE2 3.26Å; Q727-E815 HydrophobicContact CB-CB 3.88Å; Q727-E815 HydrophobicContact CG-CB 3.84Å; E815-P846 PolarHBondContact N-O 3.19Å; E815-T879 WeakPolarHBondContact CG-OG1 3.12Å; E815-T879 WeakPolarHBondContact OE1-CB 3.29Å; E815-T879 PolarHBondContact OE1-OG1 3.41Å; E815-R885 PolarHBondContact O-NH1 3.14Å; E815-R885 PolarHBondContact O-NH2 3.09Å
816	A	97.4	Very high	96.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	151.2	-169.5	0	0	0	0	0	112.3	F814 L845 V848 L877	F814-A816 PolarHBondContact O-N 3.08Å; F814-A816 VanDerWaalsContact O-N 3.09Å; A816-L845 CarbonylContact C-O 3.48Å; A816-L845 WeakPolarHBondContact CA-O 3.38Å; A816-L845 HydrophobicContact CB-CB 4.19Å; A816-L845 VanDerWaalsContact CB-O 3.26Å; A816-L845 WeakPolarHBondContact CB-O 3.45Å; A816-L845 PolarHBondContact N-O 3.07Å; A816-L845 VanDerWaalsContact N-O 3.13Å; A816-L845 CarbonylContact O-C 3.57Å; A816-L845 WeakPolarHBondContact O-CA 3.35Å; A816-L845 PolarHBondContact O-N 2.84Å; A816-L845 VanDerWaalsContact O-O 3.13Å; A816-V848 HydrophobicContact CB-CB 4.21Å; A816-V848 HydrophobicContact CB-CG1 3.75Å; A816-L877 CarbonylContact C-O 3.46Å; A816-L877 WeakPolarHBondContact CA-O 3.47Å; A816-L877 WeakPolarHBondContact CB-O 3.37Å
817	V	97.5	Very high	96.5	Very high	43 Å²	43	22.5 Å²	22.5	26%	0.261	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.2	171.9	-63.3	0	0	0	0	109.4	L842 I843 V876 L877	V817-L842 HydrophobicContact CB-CD1 4Å; V817-L842 HydrophobicContact CG2-CD1 4.38Å; V817-I843 WeakPolarHBondContact CA-O 3.43Å; V817-V876 WeakPolarHBondContact O-CA 3.44Å; V817-L877 HydrophobicContact CG2-CB 3.99Å; V817-L877 HydrophobicContact CG2-CD2 4.13Å; V817-L877 HydrophobicContact CG2-CG 4.46Å; V817-L877 PolarHBondContact N-O 3.24Å; V817-L877 PolarHBondContact O-N 3.05Å
818	M	98.1	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.3	174.6	-174.3	174.8	81.2	0	0	109.8	M455 P457 I820 F831 L842 I843 L845 Y854 A875 V876	M455-M818 HydrophobicContact SD-CE 3.64Å; M455-M818 HydrophobicContact SD-SD 4.05Å; P457-M818 HydrophobicContact CB-SD 4.04Å; P457-M818 HydrophobicContact CG-SD 3.74Å; M818-I820 HydrophobicContact CE-CD1 4.25Å; M818-F831 HydrophobicContact CE-CE1 4.45Å; M818-L842 WeakPolarHBondContact O-CA 3.47Å; M818-I843 HydrophobicContact CB-CD1 4.38Å; M818-I843 HydrophobicContact CB-CG1 3.88Å; M818-I843 HydrophobicContact CE-CD1 3.69Å; M818-I843 HydrophobicContact CE-CG1 4.25Å; M818-I843 PolarHBondContact N-O 2.96Å; M818-I843 PolarHBondContact O-N 3.28Å; M818-L845 HydrophobicContact CB-CD1 3.96Å; M818-Y854 HydrophobicContact CE-CG 4.49Å; M818-A875 WeakPolarHBondContact CA-O 3.29Å; M818-V876 HydrophobicContact CB-CG2 4.13Å; M818-V876 HydrophobicContact CG-CG2 3.82Å; M818-V876 HydrophobicContact SD-CG2 3.93Å
819	R	98	Very high	96.4	Very high	79 Å²	79	28.4 Å²	28.4	30%	0.298	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.5	172.1	-171.8	168.1	-79.3	-119.2	-3.9	110.2	S839 D841 L842 A875	R819-S839 PolarHBondContact NH2-OG 3.05Å; R819-D841 VanDerWaalsContact CA-O 3.29Å; R819-D841 WeakPolarHBondContact CA-O 3.33Å; R819-D841 WeakPolarHBondContact CD-OD2 3.37Å; R819-D841 HydrophobicContact CG-CB 4.47Å; R819-D841 WeakPolarHBondContact CG-O 3.47Å; R819-D841 VanDerWaalsContact CG-OD2 3.29Å; R819-D841 WeakPolarHBondContact CG-OD2 3.34Å; R819-D841 IonicContact CZ-OD1 2.7Å; R819-D841 IonicContact CZ-OD2 3.53Å; R819-D841 IonicContact NE-OD1 2.68Å; R819-D841 IonicContact NE-OD2 2.77Å; R819-D841 PolarHBondContact NE-OD2 3.41Å; R819-D841 IonicContact NH1-OD1 3.72Å; R819-D841 PolarHBondContact NH1-OD1 3.06Å; R819-D841 IonicContact NH1-OD2 3.35Å; R819-D841 PolarHBondContact NH1-OD2 3.21Å; R819-D841 IonicContact NH2-OD1 3.33Å; R819-D841 PolarHBondContact NH2-OD1 3.29Å; R819-L842 HydrophobicContact CB-CD1 3.85Å; R819-L842 HydrophobicContact CG-CD1 4.48Å; R819-A875 PolarHBondContact N-O 3.17Å; R819-A875 PolarHBondContact O-N 3.3Å
820	I	98.2	Very high	96.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.1	173.8	-60.8	167.5	0	0	0	108.8	L453 M455 M818 I828 F831 D841 V856 Q873 A874	L453-I820 HydrophobicContact CD1-CG2 4.25Å; M455-I820 HydrophobicContact CE-CD1 3.63Å; M455-I820 HydrophobicContact CE-CG1 4.48Å; M455-I820 HydrophobicContact SD-CD1 4.15Å; M818-I820 HydrophobicContact CE-CD1 4.25Å; I820-I828 HydrophobicContact CB-CD1 3.92Å; I820-I828 HydrophobicContact CG2-CD1 4.06Å; I820-F831 HydrophobicContact CD1-CE1 3.72Å; I820-F831 HydrophobicContact CD1-CZ 4.16Å; I820-D841 PolarHBondContact N-O 3.5Å; I820-V856 HydrophobicContact CD1-CB 4.42Å; I820-V856 HydrophobicContact CD1-CG2 3.62Å; I820-Q873 CarbonylContact C-O 3.56Å; I820-Q873 WeakPolarHBondContact CA-O 3.45Å; I820-A874 HydrophobicContact CG1-CB 4.14Å
821	R	97.9	Very high	96.6	Very high	40 Å²	40	29.2 Å²	29.2	15%	0.151	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.9	172.8	-65	179.3	179.9	79.2	-0.9	109.5	C478 T480 C872 Q873	C478-R821 WeakPolarHBondContact O-CD 3.47Å; C478-R821 PolarHBondContact O-NE 3.13Å; T480-R821 WeakPolarHBondContact OG1-CD 3.5Å; R821-C872 CarbonylContact O-C 3.57Å; R821-C872 WeakPolarHBondContact O-CA 3.35Å; R821-Q873 PolarHBondContact N-O 3.35Å; R821-Q873 PolarHBondContact O-N 2.9Å
822	C	97.5	Very high	96.8	Very high	17 Å²	17	26.9 Å²	26.9	12%	0.115	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152	175.6	-54.1	0	0	0	0	109.8	V499 L826 C871	V499-C822 WeakPolarHBondContact CG1-O 3.34Å; C822-L826 HydrophobicContact CB-CB 3.63Å; C822-L826 HydrophobicContact CB-CD1 4.16Å; C822-C871 CarbonylContact C-O 3.55Å; C822-C871 WeakPolarHBondContact CA-O 3.46Å
823	T	97.8	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.			trans	-53.2	143.3	171.9	-64.8	0	0	0	0	111.5	S498 V499 F501 G825 L826 V870 C871	S498-T823 PolarHBondContact O-OG1 3.13Å; V499-T823 VanDerWaalsContact O-CA 3.31Å; V499-T823 WeakPolarHBondContact O-CA 3.35Å; F501-T823 HydrophobicContact CE1-CG2 4.47Å; F501-T823 HydrophobicContact CE2-CG2 3.79Å; F501-T823 HydrophobicContact CZ-CG2 3.47Å; F501-T823 VanDerWaalsContact CZ-CG2 3.47Å; T823-G825 PolarHBondContact O-N 2.81Å; T823-L826 WeakPolarHBondContact O-CB 3.27Å; T823-L826 PolarHBondContact O-N 3.05Å; T823-V870 HydrophobicContact CG2-CB 4.49Å; T823-V870 HydrophobicContact CG2-CG1 4.06Å; T823-C871 PolarHBondContact N-O 3.16Å; T823-C871 PolarHBondContact OG1-N 2.81Å; T823-C871 PolarHBondContact OG1-O 3Å
824	Q	94.2	Very high	96.7	Very high	108 Å²	108	27.1 Å²	27.1	51%	0.505	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	136	178.6	177.4	173.4	-11.9	0	0	111.6	V499 E862 L864	V499-Q824 PolarHBondContact O-N 3.11Å; Q824-E862 WeakPolarHBondContact CG-OE2 3.31Å; Q824-E862 PolarHBondContact NE2-OE2 2.71Å; Q824-L864 WeakPolarHBondContact O-CD2 3.48Å
825	G	94.8	Very high	96.5	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	-16.9	-171.2	0	0	0	0	0	114.2	T823 I860 S861 E862	T823-G825 PolarHBondContact O-N 2.81Å; G825-I860 CarbonylContact O-C 3.35Å; G825-I860 WeakPolarHBondContact O-CA 3.39Å; G825-S861 PolarHBondContact O-N 3.47Å; G825-S861 PolarHBondContact O-OG 3.46Å; G825-E862 PolarHBondContact O-N 2.98Å
826	L	97.2	Very high	96.4	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.099	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.1	165.5	-69.2	174	0	0	0	111.1	V437 L451 C822 T823 D859 I860 L864 V870	V437-L826 HydrophobicContact CG1-CD2 4.47Å; L451-L826 HydrophobicContact CD2-CD2 3.95Å; C822-L826 HydrophobicContact CB-CB 3.63Å; C822-L826 HydrophobicContact CB-CD1 4.16Å; T823-L826 WeakPolarHBondContact O-CB 3.27Å; T823-L826 PolarHBondContact O-N 3.05Å; L826-D859 WeakPolarHBondContact CA-O 3.3Å; L826-I860 HydrophobicContact CD2-CG1 4.02Å; L826-L864 HydrophobicContact CD2-CD1 3.97Å; L826-L864 HydrophobicContact CG-CD1 4.23Å; L826-V870 HydrophobicContact CD1-CB 3.93Å; L826-V870 HydrophobicContact CD1-CG1 4.18Å; L826-V870 HydrophobicContact CD1-CG2 4Å
827	A	96	Very high	96.3	Very high	33 Å²	33	32.5 Å²	32.5	27%	0.273	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.1	175.4	0	0	0	0	0	111.4	L858 D859	A827-L858 CarbonylContact O-C 3.58Å; A827-L858 VanDerWaalsContact O-CA 3.29Å; A827-L858 WeakPolarHBondContact O-CA 3.3Å; A827-L858 WeakPolarHBondContact O-CD2 3.37Å; A827-D859 PolarHBondContact N-O 2.79Å; A827-D859 PolarHBondContact O-N 3.33Å
828	I	96.7	Very high	96	Very high	28 Å²	28	35.2 Å²	35.2	14%	0.144	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126	168.9	-65.2	163.7	0	0	0	108.2	I820 F831 T840 D841 V856 L858	I820-I828 HydrophobicContact CB-CD1 3.92Å; I820-I828 HydrophobicContact CG2-CD1 4.06Å; I828-F831 HydrophobicContact CG2-CD2 4.35Å; I828-F831 HydrophobicContact CG2-CE2 4.01Å; I828-T840 WeakPolarHBondContact CB-O 3.36Å; I828-T840 WeakPolarHBondContact CG2-O 3.49Å; I828-D841 HydrophobicContact CD1-CB 4.02Å; I828-V856 HydrophobicContact CB-CG1 4.4Å; I828-V856 HydrophobicContact CG1-CG1 4.2Å; I828-V856 HydrophobicContact CG2-CG1 3.5Å; I828-L858 HydrophobicContact CB-CD2 4.32Å; I828-L858 HydrophobicContact CG1-CD2 3.59Å
829	Q	94.6	Very high	95.8	Very high	97 Å²	97	37.1 Å²	37.1	45%	0.453	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-56	174.9	-69.7	-173.1	-15.5	0	0	111.7	Q857 D859	Q829-Q857 HydrophobicContact CB-CB 4.36Å; Q829-Q857 HydrophobicContact CB-CG 4.27Å; Q829-Q857 PolarHBondContact N-O 2.83Å; Q829-D859 HydrophobicContact CG-CB 3.87Å; Q829-D859 VanDerWaalsContact NE2-CG 3.33Å; Q829-D859 PolarHBondContact NE2-OD2 2.99Å
830	T	96.1	Very high	95.6	Very high	48 Å²	48	38.6 Å²	38.6	29%	0.294	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	134.7	-166.2	-44.8	0	0	0	0	111.7	H832 V856 Q857	T830-H832 VanDerWaalsContact CG2-CE1 3.44Å; T830-H832 WeakPolarHBondContact CG2-CE1 3.44Å; T830-V856 CarbonylContact O-C 3.53Å; T830-V856 VanDerWaalsContact O-CA 3.3Å; T830-V856 WeakPolarHBondContact O-CA 3.45Å; T830-Q857 PolarHBondContact O-N 3.44Å; T830-Q857 PolarHBondContact OG1-OE1 2.8Å
831	F	97.1	Very high	95.5	Very high	21 Å²	21	40 Å²	40	9%	0.092	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.3	167.6	-80.3	-87.9	0	0	0	111	M818 I820 I828 V837 T840 I843 V856	M818-F831 HydrophobicContact CE-CE1 4.45Å; I820-F831 HydrophobicContact CD1-CE1 3.72Å; I820-F831 HydrophobicContact CD1-CZ 4.16Å; I828-F831 HydrophobicContact CG2-CD2 4.35Å; I828-F831 HydrophobicContact CG2-CE2 4.01Å; F831-V837 HydrophobicContact CB-CG2 4.12Å; F831-V837 HydrophobicContact CD2-CG1 4.36Å; F831-V837 HydrophobicContact CD2-CG2 4.43Å; F831-T840 WeakPolarHBondContact CE2-O 3.33Å; F831-I843 HydrophobicContact CB-CG2 4.14Å; F831-I843 HydrophobicContact CD1-CD1 4.31Å; F831-I843 HydrophobicContact CD1-CG2 3.53Å; F831-I843 HydrophobicContact CD2-CG2 3.81Å; F831-I843 HydrophobicContact CE1-CD1 4.46Å; F831-I843 HydrophobicContact CE1-CG2 3.75Å; F831-I843 HydrophobicContact CE2-CG2 4.01Å; F831-I843 HydrophobicContact CG-CG2 3.57Å; F831-I843 HydrophobicContact CZ-CG2 3.99Å; F831-V856 HydrophobicContact CD1-CG2 3.52Å; F831-V856 HydrophobicContact CE1-CG2 3.67Å; F831-V856 HydrophobicContact CG-CG2 4.34Å
832	H	97.3	Very high	95.5	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	107.4	176.1	-47.2	-93.2	0	0	0	111.2	T830 A855 K918 D922	T830-H832 VanDerWaalsContact CG2-CE1 3.44Å; T830-H832 WeakPolarHBondContact CG2-CE1 3.44Å; H832-A855 HydrophobicContact CB-CB 4.36Å; H832-A855 PolarHBondContact N-O 3.01Å; H832-A855 PolarHBondContact O-N 3.07Å; H832-K918 HydrophobicContact CB-CB 3.83Å; H832-K918 HydrophobicContact CB-CD 4.15Å; H832-D922 IonicContact CE1-OD2 2.72Å; H832-D922 IonicContact CG-OD2 2.67Å; H832-D922 IonicContact ND1-OD2 2.74Å; H832-D922 PolarHBondContact ND1-OD2 3.09Å
833	G	95.5	Very high	95.5	Very high	7 Å²	7	38.8 Å²	38.8	7%	0.072	21%	0.209	C	C	.	.	S	Bend	trans	176.5	-175.2	173.2	0	0	0	0	0	110.9	C835	G833-C835 PolarHBondContact O-N 2.75Å
834	S	95	Very high	95.4	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-82.3	106.8	166.2	-178.5	0	0	0	0	108.8	S749 R750 S753 G754 Y854	S749-S834 PolarHBondContact O-OG 3.24Å; S749-S834 VanDerWaalsContact O-OG 3.08Å; R750-S834 WeakPolarHBondContact CA-OG 3.39Å; R750-S834 CarbonylContact O-C 3.5Å; R750-S834 WeakPolarHBondContact O-CA 3.5Å; R750-S834 PolarHBondContact O-OG 3.1Å; S753-S834 WeakPolarHBondContact CA-O 3.33Å; S753-S834 WeakPolarHBondContact CA-OG 3.32Å; S753-S834 WeakPolarHBondContact CB-O 3.4Å; G754-S834 PolarHBondContact N-OG 2.85Å; G754-S834 VanDerWaalsContact O-CB 3.28Å; G754-S834 WeakPolarHBondContact O-CB 3.45Å; G754-S834 PolarHBondContact O-OG 3.25Å; S834-Y854 WeakPolarHBondContact O-CE1 3.43Å; S834-Y854 PolarHBondContact O-OH 3.29Å
835	C	93.9	Very high	95.6	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.068	19%	0.186	C	C	.	.	S	Bend	trans	-173.8	166.6	-173.1	59.4	0	0	0	0	112	R750 G833 I843 L845 Y854	R750-C835 PolarHBondContact O-N 2.92Å; G833-C835 PolarHBondContact O-N 2.75Å; C835-I843 HydrophobicContact CB-CB 4.12Å; C835-I843 HydrophobicContact CB-CD1 3.83Å; C835-I843 HydrophobicContact CB-CG1 4.44Å; C835-L845 HydrophobicContact CB-CD2 3.63Å; C835-Y854 HydrophobicContact CB-CE1 4.17Å
836	F	93.9	Very high	95.7	Very high	51 Å²	51	33.6 Å²	33.6	22%	0.224	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.9	166.1	-179.2	-122.2	0	0	0	111.5	L721 R838 I843 A844	L721-F836 HydrophobicContact CD2-CD1 4.39Å; L721-F836 HydrophobicContact CD2-CD2 3.37Å; L721-F836 HydrophobicContact CD2-CE1 4.32Å; L721-F836 HydrophobicContact CD2-CE2 3.31Å; L721-F836 HydrophobicContact CD2-CG 3.96Å; L721-F836 HydrophobicContact CD2-CZ 3.82Å; F836-R838 HydrophobicContact CD1-CG 4.25Å; F836-R838 HydrophobicContact CE1-CG 4.46Å; F836-I843 CarbonylContact O-C 3.56Å; F836-I843 WeakPolarHBondContact O-CA 3.21Å; F836-A844 PolarHBondContact N-O 2.82Å; F836-A844 PolarHBondContact O-N 2.73Å
837	V	94.2	Very high	95.7	Very high	68 Å²	68	32.9 Å²	32.9	41%	0.412	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.5	179.7	-174.6	0	0	0	0	110	F831 S839 I843	F831-V837 HydrophobicContact CB-CG2 4.12Å; F831-V837 HydrophobicContact CD2-CG1 4.36Å; F831-V837 HydrophobicContact CD2-CG2 4.43Å; V837-S839 VanDerWaalsContact CG1-O 3.29Å; V837-S839 WeakPolarHBondContact CG1-O 3.47Å; V837-I843 HydrophobicContact CG2-CG2 4.11Å
838	R	92.9	Very high	95.8	Very high	100 Å²	100	31.4 Å²	31.4	38%	0.377	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-33.2	-178.4	-71.6	-75	-174.7	-169.3	-7.6	112.9	S724 H725 F836 L842 A844	S724-R838 PolarHBondContact O-NH2 2.8Å; H725-R838 PolarHBondContact CD2-NH1 2.87Å; H725-R838 PolarHBondContact CD2-NH2 2.98Å; H725-R838 PolarHBondContact NE2-NH1 2.84Å; H725-R838 PolarHBondContact NE2-NH2 3.16Å; F836-R838 HydrophobicContact CD1-CG 4.25Å; F836-R838 HydrophobicContact CE1-CG 4.46Å; R838-L842 HydrophobicContact CB-CB 4.44Å; R838-L842 HydrophobicContact CB-CD2 3.75Å; R838-L842 HydrophobicContact CB-CG 4.06Å; R838-L842 PolarHBondContact N-O 2.86Å; R838-A844 HydrophobicContact CG-CB 3.77Å
839	S	93.6	Very high	95.7	Very high	39 Å²	39	30.3 Å²	30.3	27%	0.273	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	172.6	166.5	55.6	0	0	0	0	109.4	R819 V837 D841 L842	R819-S839 PolarHBondContact NH2-OG 3.05Å; V837-S839 VanDerWaalsContact CG1-O 3.29Å; V837-S839 WeakPolarHBondContact CG1-O 3.47Å; S839-D841 PolarHBondContact O-N 2.78Å; S839-D841 PolarHBondContact OG-OD1 2.79Å; S839-L842 PolarHBondContact N-O 3.42Å; S839-L842 PolarHBondContact O-N 2.76Å; S839-L842 VanDerWaalsContact O-N 3.09Å; S839-L842 WeakPolarHBondContact OG-CB 3.36Å
840	T	94.1	Very high	95.6	Very high	110 Å²	110	25.8 Å²	25.8	68%	0.675	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-19	178.2	47.4	0	0	0	0	114.3	I828 F831	I828-T840 WeakPolarHBondContact CB-O 3.36Å; I828-T840 WeakPolarHBondContact CG2-O 3.49Å; F831-T840 WeakPolarHBondContact CE2-O 3.33Å
841	D	96.2	Very high	95.5	Very high	32 Å²	32	24.4 Å²	24.4	17%	0.171	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-1.9	-179.8	75.2	-35.7	0	0	0	114.8	R819 I820 I828 S839	R819-D841 VanDerWaalsContact CA-O 3.29Å; R819-D841 WeakPolarHBondContact CA-O 3.33Å; R819-D841 WeakPolarHBondContact CD-OD2 3.37Å; R819-D841 HydrophobicContact CG-CB 4.47Å; R819-D841 WeakPolarHBondContact CG-O 3.47Å; R819-D841 VanDerWaalsContact CG-OD2 3.29Å; R819-D841 WeakPolarHBondContact CG-OD2 3.34Å; R819-D841 IonicContact CZ-OD1 2.7Å; R819-D841 IonicContact CZ-OD2 3.53Å; R819-D841 IonicContact NE-OD1 2.68Å; R819-D841 IonicContact NE-OD2 2.77Å; R819-D841 PolarHBondContact NE-OD2 3.41Å; R819-D841 IonicContact NH1-OD1 3.72Å; R819-D841 PolarHBondContact NH1-OD1 3.06Å; R819-D841 IonicContact NH1-OD2 3.35Å; R819-D841 PolarHBondContact NH1-OD2 3.21Å; R819-D841 IonicContact NH2-OD1 3.33Å; R819-D841 PolarHBondContact NH2-OD1 3.29Å; I820-D841 PolarHBondContact N-O 3.5Å; I828-D841 HydrophobicContact CD1-CB 4.02Å; S839-D841 PolarHBondContact O-N 2.78Å; S839-D841 PolarHBondContact OG-OD1 2.79Å
842	L	97	Very high	95.4	Very high	30 Å²	30	23.6 Å²	23.6	16%	0.157	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	-171.3	-178.6	73.7	0	0	0	111.9	V817 M818 R819 R838 S839	V817-L842 HydrophobicContact CB-CD1 4Å; V817-L842 HydrophobicContact CG2-CD1 4.38Å; M818-L842 WeakPolarHBondContact O-CA 3.47Å; R819-L842 HydrophobicContact CB-CD1 3.85Å; R819-L842 HydrophobicContact CG-CD1 4.48Å; R838-L842 HydrophobicContact CB-CB 4.44Å; R838-L842 HydrophobicContact CB-CD2 3.75Å; R838-L842 HydrophobicContact CB-CG 4.06Å; R838-L842 PolarHBondContact N-O 2.86Å; S839-L842 PolarHBondContact N-O 3.42Å; S839-L842 PolarHBondContact O-N 2.76Å; S839-L842 VanDerWaalsContact O-N 3.09Å; S839-L842 WeakPolarHBondContact OG-CB 3.36Å
843	I	97.4	Very high	95.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.6	165.7	64.9	176.1	0	0	0	111.3	V817 M818 F831 C835 F836 V837 L845 Y854	V817-I843 WeakPolarHBondContact CA-O 3.43Å; M818-I843 HydrophobicContact CB-CD1 4.38Å; M818-I843 HydrophobicContact CB-CG1 3.88Å; M818-I843 HydrophobicContact CE-CD1 3.69Å; M818-I843 HydrophobicContact CE-CG1 4.25Å; M818-I843 PolarHBondContact N-O 2.96Å; M818-I843 PolarHBondContact O-N 3.28Å; F831-I843 HydrophobicContact CB-CG2 4.14Å; F831-I843 HydrophobicContact CD1-CD1 4.31Å; F831-I843 HydrophobicContact CD1-CG2 3.53Å; F831-I843 HydrophobicContact CD2-CG2 3.81Å; F831-I843 HydrophobicContact CE1-CD1 4.46Å; F831-I843 HydrophobicContact CE1-CG2 3.75Å; F831-I843 HydrophobicContact CE2-CG2 4.01Å; F831-I843 HydrophobicContact CG-CG2 3.57Å; F831-I843 HydrophobicContact CZ-CG2 3.99Å; C835-I843 HydrophobicContact CB-CB 4.12Å; C835-I843 HydrophobicContact CB-CD1 3.83Å; C835-I843 HydrophobicContact CB-CG1 4.44Å; F836-I843 CarbonylContact O-C 3.56Å; F836-I843 WeakPolarHBondContact O-CA 3.21Å; V837-I843 HydrophobicContact CG2-CG2 4.11Å; I843-L845 HydrophobicContact CD1-CD1 4.24Å; I843-L845 HydrophobicContact CD1-CD2 3.9Å; I843-L845 HydrophobicContact CD1-CG 4.19Å; I843-L845 HydrophobicContact CG1-CD1 4.4Å; I843-L845 HydrophobicContact CG1-CD2 4.31Å; I843-L845 HydrophobicContact CG1-CG 4.17Å; I843-Y854 HydrophobicContact CD1-CD1 3.98Å; I843-Y854 HydrophobicContact CD1-CE1 4.05Å
844	A	96.8	Very high	95.4	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.9	165.1	0	0	0	0	0	109.9	F836 R838	F836-A844 PolarHBondContact N-O 2.82Å; F836-A844 PolarHBondContact O-N 2.73Å; R838-A844 HydrophobicContact CG-CB 3.77Å
845	L	97.5	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	77.5	-179.8	-61.9	176.1	0	0	0	108.6	S753 A816 M818 C835 I843 N847 V848 Y854	S753-L845 VanDerWaalsContact OG-CA 3.27Å; S753-L845 WeakPolarHBondContact OG-CA 3.48Å; A816-L845 CarbonylContact C-O 3.48Å; A816-L845 WeakPolarHBondContact CA-O 3.38Å; A816-L845 HydrophobicContact CB-CB 4.19Å; A816-L845 VanDerWaalsContact CB-O 3.26Å; A816-L845 WeakPolarHBondContact CB-O 3.45Å; A816-L845 PolarHBondContact N-O 3.07Å; A816-L845 VanDerWaalsContact N-O 3.13Å; A816-L845 CarbonylContact O-C 3.57Å; A816-L845 WeakPolarHBondContact O-CA 3.35Å; A816-L845 PolarHBondContact O-N 2.84Å; A816-L845 VanDerWaalsContact O-O 3.13Å; M818-L845 HydrophobicContact CB-CD1 3.96Å; C835-L845 HydrophobicContact CB-CD2 3.63Å; I843-L845 HydrophobicContact CD1-CD1 4.24Å; I843-L845 HydrophobicContact CD1-CD2 3.9Å; I843-L845 HydrophobicContact CD1-CG 4.19Å; I843-L845 HydrophobicContact CG1-CD1 4.4Å; I843-L845 HydrophobicContact CG1-CD2 4.31Å; I843-L845 HydrophobicContact CG1-CG 4.17Å; L845-N847 PolarHBondContact O-N 2.89Å; L845-V848 HydrophobicContact CB-CB 4.31Å; L845-V848 HydrophobicContact CD1-CB 4.3Å; L845-V848 HydrophobicContact CD1-CG2 4.05Å; L845-Y854 HydrophobicContact CD2-CE1 3.9Å; L845-Y854 WeakPolarHBondContact CD2-OH 3.36Å
846	P	97.4	Very high	95.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47	-38.9	-179.2	-32	37.9	0	0	0	113.7	V728 S753 E815	V728-P846 WeakPolarHBondContact O-CB 3.43Å; S753-P846 VanDerWaalsContact OG-CD 3.31Å; S753-P846 WeakPolarHBondContact OG-CD 3.43Å; E815-P846 PolarHBondContact N-O 3.19Å
847	N	97.4	Very high	95.9	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.027	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.1	158.7	-52.6	153.3	0	0	0	110.6	G675 R676 G729 S753 L812 G813 L845	G675-N847 PolarHBondContact O-ND2 3.3Å; G675-N847 PolarHBondContact O-OD1 3.21Å; R676-N847 WeakPolarHBondContact CA-OD1 3.28Å; R676-N847 VanDerWaalsContact CB-OD1 3.23Å; R676-N847 WeakPolarHBondContact CB-OD1 3.38Å; R676-N847 VanDerWaalsContact CG-OD1 3.3Å; R676-N847 WeakPolarHBondContact CG-OD1 3.35Å; G729-N847 WeakPolarHBondContact CA-OD1 3.3Å; S753-N847 PolarHBondContact OG-N 3.42Å; S753-N847 PolarHBondContact OG-O 2.77Å; L812-N847 HydrophobicContact CD1-CB 4.25Å; L812-N847 HydrophobicContact CD2-CB 4.46Å; L812-N847 HydrophobicContact CG-CB 4.46Å; G813-N847 CarbonylContact O-C 3.52Å; G813-N847 WeakPolarHBondContact O-CA 3.37Å; L845-N847 PolarHBondContact O-N 2.89Å
848	V	97	Very high	96.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.3	170.6	64.5	0	0	0	0	110.3	F458 G813 A816 L845 V876	F458-V848 HydrophobicContact CB-CG2 3.72Å; F458-V848 HydrophobicContact CD1-CG1 4.15Å; F458-V848 HydrophobicContact CD1-CG2 4.3Å; F458-V848 WeakPolarHBondContact CD1-O 3.41Å; F458-V848 HydrophobicContact CD2-CG1 4.36Å; F458-V848 HydrophobicContact CE1-CG1 4.3Å; F458-V848 HydrophobicContact CG-CG1 4.18Å; F458-V848 HydrophobicContact CG-CG2 4.01Å; F458-V848 HydrophobicContact CZ-CG1 4.5Å; G813-V848 PolarHBondContact N-O 3.01Å; G813-V848 PolarHBondContact O-N 2.91Å; A816-V848 HydrophobicContact CB-CB 4.21Å; A816-V848 HydrophobicContact CB-CG1 3.75Å; L845-V848 HydrophobicContact CB-CB 4.31Å; L845-V848 HydrophobicContact CD1-CB 4.3Å; L845-V848 HydrophobicContact CD1-CG2 4.05Å; V848-V876 HydrophobicContact CG1-CG1 4.39Å
849	S	94.1	Very high	96.3	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.042	10%	0.095	C	C	.	.			trans	-108.7	149.1	-176.1	104.1	0	0	0	0	112.4	D851 S852	S849-D851 PolarHBondContact O-N 2.84Å; S849-D851 VanDerWaalsContact O-N 3.11Å; S849-D851 PolarHBondContact OG-N 3.41Å; S849-S852 PolarHBondContact O-N 2.9Å; S849-S852 PolarHBondContact OG-N 2.72Å; S849-S852 PolarHBondContact OG-OG 3.31Å
850	P	94.3	Very high	96.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.013	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	10.4	177.3	34.5	-38.9	0	0	0	113.5	H456 F458 R810 K811	H456-P850 PolarHBondContact CE1-O 3.36Å; H456-P850 VanDerWaalsContact CE1-O 3.26Å; H456-P850 PolarHBondContact NE2-O 3.44Å; F458-P850 HydrophobicContact CD1-CB 4.37Å; F458-P850 WeakPolarHBondContact O-CA 3.46Å; F458-P850 WeakPolarHBondContact O-CB 3.31Å; R810-P850 HydrophobicContact CB-CG 3.94Å; R810-P850 HydrophobicContact CG-CG 4.46Å; K811-P850 HydrophobicContact CG-CB 4.06Å; K811-P850 HydrophobicContact CG-CG 3.88Å; K811-P850 WeakPolarHBondContact O-CD 3.45Å
851	D	93.5	Very high	96.6	Very high	18 Å²	18	13.4 Å²	13.4	10%	0.096	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-1	-179.1	-44.4	-28.6	0	0	0	111.2	R806 R810 S849 P1008 P1182	R806-D851 IonicContact CZ-OD1 3.56Å; R806-D851 IonicContact NE-OD1 3.74Å; R806-D851 PolarHBondContact NE-OD1 3.2Å; R806-D851 IonicContact NE-OD2 3.67Å; R806-D851 IonicContact NH2-OD1 2.96Å; R806-D851 PolarHBondContact NH2-OD1 3.34Å; R810-D851 WeakPolarHBondContact CD-OD2 3.4Å; R810-D851 IonicContact CZ-OD2 3.23Å; R810-D851 IonicContact NE-OD2 2.76Å; R810-D851 IonicContact NH1-OD2 2.76Å; R810-D851 PolarHBondContact NH1-OD2 2.95Å; S849-D851 PolarHBondContact O-N 2.84Å; S849-D851 VanDerWaalsContact O-N 3.11Å; S849-D851 PolarHBondContact OG-N 3.41Å; D851-P1008 VanDerWaalsContact O-CD 3.31Å; D851-P1008 WeakPolarHBondContact O-CD 3.08Å; D851-P1008 VanDerWaalsContact O-CG 3.32Å; D851-P1008 WeakPolarHBondContact O-CG 3.32Å; D851-P1182 HydrophobicContact CB-CB 3.56Å; D851-P1182 HydrophobicContact CB-CG 4.16Å; D851-P1182 VanDerWaalsContact CG-CB 3.4Å; D851-P1182 WeakPolarHBondContact OD1-CB 3.43Å
852	S	94.2	Very high	96.6	Very high	5 Å²	5	16.6 Å²	16.6	4%	0.035	9%	0.092	C	C	.	.			trans	-96.8	115.9	-172.3	-61.2	0	0	0	0	112.5	H456 S849 Y854	H456-S852 PolarHBondContact CD2-O 2.89Å; S849-S852 PolarHBondContact O-N 2.9Å; S849-S852 PolarHBondContact OG-N 2.72Å; S849-S852 PolarHBondContact OG-OG 3.31Å; S852-Y854 WeakPolarHBondContact O-CE2 3.41Å
853	G	95.8	Very high	96.5	Very high	1 Å²	1	18 Å²	18	1%	0.01	11%	0.105	C	C	.	.			trans	-103	136.3	177.8	0	0	0	0	0	114.7	M455 K918 T1006	M455-G853 WeakPolarHBondContact O-CA 3.35Å; G853-K918 PolarHBondContact O-NZ 3.22Å; G853-T1006 PolarHBondContact N-O 3Å
854	Y	97.7	Very high	96.5	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.016	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.9	-178.5	-57.5	-90.3	0	0	0	111.1	M455 P457 M818 S834 C835 I843 L845 S852	M455-Y854 PolarHBondContact N-O 3.25Å; M455-Y854 PolarHBondContact O-N 3.14Å; P457-Y854 HydrophobicContact CG-CD2 4.03Å; P457-Y854 HydrophobicContact CG-CE2 4.34Å; M818-Y854 HydrophobicContact CE-CG 4.49Å; S834-Y854 WeakPolarHBondContact O-CE1 3.43Å; S834-Y854 PolarHBondContact O-OH 3.29Å; C835-Y854 HydrophobicContact CB-CE1 4.17Å; I843-Y854 HydrophobicContact CD1-CD1 3.98Å; I843-Y854 HydrophobicContact CD1-CE1 4.05Å; L845-Y854 HydrophobicContact CD2-CE1 3.9Å; L845-Y854 WeakPolarHBondContact CD2-OH 3.36Å; S852-Y854 WeakPolarHBondContact O-CE2 3.41Å
855	A	98.3	Very high	96.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157	165.1	0	0	0	0	0	110.9	L453 V454 H832 L915 K918	L453-A855 CarbonylContact O-C 3.44Å; L453-A855 WeakPolarHBondContact O-CA 3.42Å; V454-A855 HydrophobicContact CG1-CB 3.88Å; H832-A855 HydrophobicContact CB-CB 4.36Å; H832-A855 PolarHBondContact N-O 3.01Å; H832-A855 PolarHBondContact O-N 3.07Å; A855-L915 HydrophobicContact CB-CD1 3.91Å; A855-K918 HydrophobicContact CB-CD 3.8Å
856	V	98	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	122.2	-177.7	-177.2	0	0	0	0	109.8	G452 L453 M455 I820 I828 T830 F831 L858	G452-V856 CarbonylContact C-O 3.52Å; G452-V856 WeakPolarHBondContact CA-O 3.34Å; L453-V856 PolarHBondContact N-O 3.16Å; L453-V856 PolarHBondContact O-N 3.09Å; M455-V856 HydrophobicContact CE-CG2 4.3Å; I820-V856 HydrophobicContact CD1-CB 4.42Å; I820-V856 HydrophobicContact CD1-CG2 3.62Å; I828-V856 HydrophobicContact CB-CG1 4.4Å; I828-V856 HydrophobicContact CG1-CG1 4.2Å; I828-V856 HydrophobicContact CG2-CG1 3.5Å; T830-V856 CarbonylContact O-C 3.53Å; T830-V856 VanDerWaalsContact O-CA 3.3Å; T830-V856 WeakPolarHBondContact O-CA 3.45Å; F831-V856 HydrophobicContact CD1-CG2 3.52Å; F831-V856 HydrophobicContact CE1-CG2 3.67Å; F831-V856 HydrophobicContact CG-CG2 4.34Å; V856-L858 HydrophobicContact CG1-CD2 4.23Å
857	Q	97.9	Very high	96	Very high	33 Å²	33	34.2 Å²	34.2	15%	0.154	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.8	172.7	-172.8	174.8	-3.5	0	0	109.7	Q829 T830	Q829-Q857 HydrophobicContact CB-CB 4.36Å; Q829-Q857 HydrophobicContact CB-CG 4.27Å; Q829-Q857 PolarHBondContact N-O 2.83Å; T830-Q857 PolarHBondContact O-N 3.44Å; T830-Q857 PolarHBondContact OG1-OE1 2.8Å
858	L	97.9	Very high	95.8	Very high	7 Å²	7	38 Å²	38	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	159.9	-179.8	-66.6	-176.3	0	0	0	111	L451 L453 A827 I828 V856	L451-L858 HydrophobicContact CD2-CB 4.06Å; L451-L858 HydrophobicContact CG-CB 3.97Å; L451-L858 PolarHBondContact O-N 3Å; L453-L858 HydrophobicContact CD1-CD1 4.28Å; L453-L858 HydrophobicContact CD2-CD1 4.26Å; L453-L858 HydrophobicContact CG-CD1 3.86Å; L453-L858 HydrophobicContact CG-CG 4.47Å; A827-L858 CarbonylContact O-C 3.58Å; A827-L858 VanDerWaalsContact O-CA 3.29Å; A827-L858 WeakPolarHBondContact O-CA 3.3Å; A827-L858 WeakPolarHBondContact O-CD2 3.37Å; I828-L858 HydrophobicContact CB-CD2 4.32Å; I828-L858 HydrophobicContact CG1-CD2 3.59Å; V856-L858 HydrophobicContact CG1-CD2 4.23Å
859	D	96.9	Very high	95.7	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.251	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	165.5	177.3	-164.3	4.2	0	0	0	111	L826 A827 Q829	L826-D859 WeakPolarHBondContact CA-O 3.3Å; A827-D859 PolarHBondContact N-O 2.79Å; A827-D859 PolarHBondContact O-N 3.33Å; Q829-D859 HydrophobicContact CG-CB 3.87Å; Q829-D859 VanDerWaalsContact NE2-CG 3.33Å; Q829-D859 PolarHBondContact NE2-OD2 2.99Å
860	I	98	Very high	95.9	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	94.4	-179.8	-60.9	165.2	0	0	0	108.5	P438 S441 L444 L451 G825 L826 E862 L864	P438-I860 HydrophobicContact CB-CD1 4.47Å; P438-I860 HydrophobicContact CG-CD1 3.93Å; P438-I860 WeakPolarHBondContact O-CD1 3.44Å; S441-I860 WeakPolarHBondContact CB-O 3.35Å; L444-I860 HydrophobicContact CB-CD1 4.19Å; L444-I860 HydrophobicContact CD2-CD1 4.12Å; L444-I860 HydrophobicContact CD2-CG1 4.48Å; L451-I860 HydrophobicContact CD2-CD1 4.3Å; L451-I860 HydrophobicContact CD2-CG1 4Å; G825-I860 CarbonylContact O-C 3.35Å; G825-I860 WeakPolarHBondContact O-CA 3.39Å; L826-I860 HydrophobicContact CD2-CG1 4.02Å; I860-E862 WeakPolarHBondContact CG2-O 3.49Å; I860-L864 HydrophobicContact CD1-CD1 4.47Å; I860-L864 HydrophobicContact CG1-CD1 4.23Å; I860-L864 HydrophobicContact CG2-CD1 4.27Å; I860-L864 HydrophobicContact CG2-CG 4.2Å
861	S	95.3	Very high	96	Very high	79 Å²	79	40.6 Å²	40.6	55%	0.552	23%	0.226	S	C	*	.			trans	-80.8	-25.1	-178.9	60	0	0	0	0	113.7	G825	G825-S861 PolarHBondContact O-N 3.47Å; G825-S861 PolarHBondContact O-OG 3.46Å
862	E	95.7	Very high	96.3	Very high	98 Å²	98	39.8 Å²	39.8	46%	0.458	22%	0.221	S	C	.	.	S	Bend	trans	-134.5	154.4	176.5	-50.9	-177.3	150.5	0	0	110.1	Q824 G825 I860 L864	Q824-E862 WeakPolarHBondContact CG-OE2 3.31Å; Q824-E862 PolarHBondContact NE2-OE2 2.71Å; G825-E862 PolarHBondContact O-N 2.98Å; I860-E862 WeakPolarHBondContact CG2-O 3.49Å; E862-L864 PolarHBondContact O-N 2.94Å
863	S	96.3	Very high	96.5	Very high	61 Å²	61	39.6 Å²	39.6	43%	0.427	22%	0.22	S	C	.	.			trans	-64.5	125.8	178.5	179.4	0	0	0	0	111.8	E865	S863-E865 VanDerWaalsContact C-N 3.3Å; S863-E865 WeakPolarHBondContact OG-CB 3.47Å; S863-E865 WeakPolarHBondContact OG-CG 3.47Å; S863-E865 PolarHBondContact OG-N 2.96Å; S863-E865 PolarHBondContact OG-OE2 3.02Å
864	L	96.8	Very high	96.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.22	C	C	.	.			trans	-87.1	4	177.8	-58	173.3	0	0	0	112.5	V437 S439 Q824 L826 I860 E862 K866 C867 V870 V896	V437-L864 HydrophobicContact CG1-CD1 3.93Å; S439-L864 PolarHBondContact O-N 3.4Å; Q824-L864 WeakPolarHBondContact O-CD2 3.48Å; L826-L864 HydrophobicContact CD2-CD1 3.97Å; L826-L864 HydrophobicContact CG-CD1 4.23Å; I860-L864 HydrophobicContact CD1-CD1 4.47Å; I860-L864 HydrophobicContact CG1-CD1 4.23Å; I860-L864 HydrophobicContact CG2-CD1 4.27Å; I860-L864 HydrophobicContact CG2-CG 4.2Å; E862-L864 PolarHBondContact O-N 2.94Å; L864-K866 PolarHBondContact O-N 3.49Å; L864-C867 WeakPolarHBondContact O-CB 3.34Å; L864-C867 PolarHBondContact O-N 3.5Å; L864-V870 HydrophobicContact CD1-CG1 4.14Å; L864-V870 HydrophobicContact CD2-CG1 4.06Å; L864-V896 HydrophobicContact CB-CG1 4.12Å; L864-V896 HydrophobicContact CB-CG2 4.44Å
865	E	94.8	Very high	96.6	Very high	115 Å²	115	39.7 Å²	39.7	54%	0.537	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.3	-175.9	-70.2	160.8	152.4	0	0	114.8	S439 T440 S863	S439-E865 WeakPolarHBondContact OG-CG 3.32Å; T440-E865 HydrophobicContact CG2-CG 4.17Å; T440-E865 WeakPolarHBondContact CG2-OE1 3.39Å; S863-E865 VanDerWaalsContact C-N 3.3Å; S863-E865 WeakPolarHBondContact OG-CB 3.47Å; S863-E865 WeakPolarHBondContact OG-CG 3.47Å; S863-E865 PolarHBondContact OG-N 2.96Å; S863-E865 PolarHBondContact OG-OE2 3.02Å
866	K	92.8	Very high	96.6	Very high	208 Å²	208	39.7 Å²	39.7	90%	0.904	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.6	175.5	-63.7	173.3	-176.3	169.8	0	113.5	L864	L864-K866 PolarHBondContact O-N 3.49Å
867	C	92.7	Very high	96.6	Very high	19 Å²	19	41 Å²	41	13%	0.128	23%	0.228	C	C	.	.			trans	-111.7	119.2	-174.5	-57.7	0	0	0	0	109.2	L864 T869 V896	L864-C867 WeakPolarHBondContact O-CB 3.34Å; L864-C867 PolarHBondContact O-N 3.5Å; C867-T869 VanDerWaalsContact C-N 3.28Å; C867-V896 HydrophobicContact CB-CG2 4.43Å; C867-V896 VanDerWaalsContact O-CB 3.23Å; C867-V896 WeakPolarHBondContact O-CB 3.41Å; C867-V896 WeakPolarHBondContact O-CG2 3.45Å
868	A	93.7	Very high	96.6	Very high	84 Å²	84	39.8 Å²	39.8	69%	0.694	22%	0.223	S	C	*	.	S	Bend	trans	-71.9	-26.1	171.8	0	0	0	0	0	112.4	V896	A868-V896 PolarHBondContact O-N 3.43Å
869	T	96.1	Very high	96.6	Very high	60 Å²	60	39.5 Å²	39.5	37%	0.368	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	155.5	177.4	54.9	0	0	0	0	110.9	L419 C867 L894	L419-T869 HydrophobicContact CD2-CG2 4Å; C867-T869 VanDerWaalsContact C-N 3.28Å; T869-L894 CarbonylContact C-O 3.57Å; T869-L894 WeakPolarHBondContact CA-O 3.34Å; T869-L894 WeakPolarHBondContact CB-O 3.28Å
870	V	97.3	Very high	96.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.6	168.3	-70	0	0	0	0	110.1	V437 T823 L826 L864 C893 L894 V896	V437-V870 HydrophobicContact CB-CG2 4.14Å; V437-V870 HydrophobicContact CG1-CG2 4.32Å; V437-V870 HydrophobicContact CG2-CG2 3.83Å; T823-V870 HydrophobicContact CG2-CB 4.49Å; T823-V870 HydrophobicContact CG2-CG1 4.06Å; L826-V870 HydrophobicContact CD1-CB 3.93Å; L826-V870 HydrophobicContact CD1-CG1 4.18Å; L826-V870 HydrophobicContact CD1-CG2 4Å; L864-V870 HydrophobicContact CD1-CG1 4.14Å; L864-V870 HydrophobicContact CD2-CG1 4.06Å; V870-C893 WeakPolarHBondContact O-CA 3.45Å; V870-L894 HydrophobicContact CG2-CB 4.1Å; V870-L894 PolarHBondContact N-O 2.88Å; V870-L894 PolarHBondContact O-N 3.04Å; V870-V896 HydrophobicContact CG1-CG2 3.82Å; V870-V896 HydrophobicContact CG2-CG2 4.37Å
871	C	97.5	Very high	96.4	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.4	179	-72.9	0	0	0	0	110.9	V499 C822 T823 L892	V499-C871 HydrophobicContact CG2-CB 4.36Å; C822-C871 CarbonylContact C-O 3.55Å; C822-C871 WeakPolarHBondContact CA-O 3.46Å; T823-C871 PolarHBondContact N-O 3.16Å; T823-C871 PolarHBondContact OG1-N 2.81Å; T823-C871 PolarHBondContact OG1-O 3Å; C871-L892 CarbonylContact C-O 3.51Å; C871-L892 WeakPolarHBondContact CA-O 3.3Å
872	C	98.1	Very high	96.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.1	171.6	-65	0	0	0	0	108.5	M430 L453 R821 L892	M430-C872 VanDerWaalsContact CE-O 3.27Å; M430-C872 WeakPolarHBondContact CE-O 3.32Å; L453-C872 HydrophobicContact CD1-CB 3.93Å; L453-C872 HydrophobicContact CD2-CB 4.36Å; R821-C872 CarbonylContact O-C 3.57Å; R821-C872 WeakPolarHBondContact O-CA 3.35Å; C872-L892 PolarHBondContact N-O 3.31Å; C872-L892 PolarHBondContact O-N 3.18Å
873	Q	98.4	Very high	96.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.6	-179.4	-175.2	177.3	84.8	0	0	110.8	T480 Y481 I820 R821 V889 H890 T891	T480-Q873 VanDerWaalsContact CG2-OE1 3.3Å; Y481-Q873 PolarHBondContact O-NE2 3.31Å; I820-Q873 CarbonylContact C-O 3.56Å; I820-Q873 WeakPolarHBondContact CA-O 3.45Å; R821-Q873 PolarHBondContact N-O 3.35Å; R821-Q873 PolarHBondContact O-N 2.9Å; Q873-V889 HydrophobicContact CG-CG1 3.62Å; Q873-H890 CarbonylContact C-O 3.1Å; Q873-H890 VanDerWaalsContact CA-O 3.28Å; Q873-H890 WeakPolarHBondContact CA-O 3.43Å; Q873-T891 HydrophobicContact CB-CG2 4.25Å; Q873-T891 PolarHBondContact NE2-OG1 2.98Å
874	A	98.3	Very high	96	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.2	168.4	0	0	0	0	0	109.5	M430 I820 V889 H890	M430-A874 HydrophobicContact CE-CB 4.21Å; M430-A874 HydrophobicContact SD-CB 3.81Å; I820-A874 HydrophobicContact CG1-CB 4.14Å; A874-V889 WeakPolarHBondContact O-CA 3.4Å; A874-H890 PolarHBondContact N-O 3.45Å; A874-H890 PolarHBondContact O-N 2.89Å
875	A	98.3	Very high	96	Very high	6 Å²	6	38.6 Å²	38.6	5%	0.05	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.2	175.3	0	0	0	0	0	110.5	Y481 M818 R819 R888 V889	Y481-A875 HydrophobicContact CD2-CB 4.01Å; Y481-A875 HydrophobicContact CE2-CB 3.52Å; M818-A875 WeakPolarHBondContact CA-O 3.29Å; R819-A875 PolarHBondContact N-O 3.17Å; R819-A875 PolarHBondContact O-N 3.3Å; A875-R888 CarbonylContact C-O 3.5Å; A875-R888 WeakPolarHBondContact CA-O 3.2Å; A875-V889 HydrophobicContact CB-CG2 4.23Å
876	V	98.2	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.3	174.7	-175.6	0	0	0	0	108.4	P457 V817 M818 V848 Y878 I887 R888	P457-V876 HydrophobicContact CB-CG2 3.95Å; P457-V876 HydrophobicContact CG-CG2 4.45Å; V817-V876 WeakPolarHBondContact O-CA 3.44Å; M818-V876 HydrophobicContact CB-CG2 4.13Å; M818-V876 HydrophobicContact CG-CG2 3.82Å; M818-V876 HydrophobicContact SD-CG2 3.93Å; V848-V876 HydrophobicContact CG1-CG1 4.39Å; V876-Y878 HydrophobicContact CG1-CD1 4.22Å; V876-I887 CarbonylContact O-C 3.48Å; V876-I887 WeakPolarHBondContact O-CA 3.35Å; V876-R888 PolarHBondContact N-O 2.79Å; V876-R888 PolarHBondContact O-N 2.98Å
877	L	97.8	Very high	96.3	Very high	28 Å²	28	25.4 Å²	25.4	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.5	166.6	169.8	69.8	0	0	0	107.6	Y541 A816 V817 R885 R886 I887	Y541-L877 HydrophobicContact CD1-CD1 3.99Å; Y541-L877 HydrophobicContact CD1-CD2 4.15Å; Y541-L877 HydrophobicContact CG-CD1 4.32Å; A816-L877 CarbonylContact C-O 3.46Å; A816-L877 WeakPolarHBondContact CA-O 3.47Å; A816-L877 WeakPolarHBondContact CB-O 3.37Å; V817-L877 HydrophobicContact CG2-CB 3.99Å; V817-L877 HydrophobicContact CG2-CD2 4.13Å; V817-L877 HydrophobicContact CG2-CG 4.46Å; V817-L877 PolarHBondContact N-O 3.24Å; V817-L877 PolarHBondContact O-N 3.05Å; L877-R885 HydrophobicContact CD1-CG 3.98Å; L877-R886 WeakPolarHBondContact CA-O 3.49Å; L877-I887 HydrophobicContact CB-CG1 4.36Å; L877-I887 HydrophobicContact CD1-CD1 4.33Å; L877-I887 HydrophobicContact CD1-CG1 3.53Å
878	Y	97.9	Very high	96.5	Very high	8 Å²	8	25 Å²	25	3%	0.031	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	165	-177.7	72.8	-80.2	0	0	0	112.1	F458 E534 V876 R886 R888	F458-Y878 HydrophobicContact CE2-CD1 4.25Å; F458-Y878 HydrophobicContact CE2-CD2 4.18Å; F458-Y878 AromaticContact CE2-CE1 3.81Å; F458-Y878 HydrophobicContact CE2-CE1 3.81Å; F458-Y878 AromaticContact CE2-CE2 3.74Å; F458-Y878 HydrophobicContact CE2-CE2 3.74Å; F458-Y878 HydrophobicContact CE2-CG 4.42Å; F458-Y878 AromaticContact CE2-CZ 3.53Å; F458-Y878 HydrophobicContact CZ-CD2 4.19Å; F458-Y878 AromaticContact CZ-CE2 3.76Å; F458-Y878 HydrophobicContact CZ-CE2 3.76Å; E534-Y878 PolarHBondContact OE1-OH 2.95Å; E534-Y878 PolarHBondContact OE2-OH 3.3Å; E534-Y878 VanDerWaalsContact OE2-OH 3.08Å; V876-Y878 HydrophobicContact CG1-CD1 4.22Å; Y878-R886 HydrophobicContact CD1-CB 4.17Å; Y878-R886 HydrophobicContact CE1-CB 3.63Å; Y878-R886 HydrophobicContact CE2-CB 4.27Å; Y878-R886 PolarHBondContact N-O 3.2Å; Y878-R886 PolarHBondContact O-N 3.45Å; Y878-R886 WeakPolarHBondContact OH-CD 3.38Å; Y878-R888 HydrophobicContact CE1-CB 4.43Å
879	T	97.5	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.8	168.3	-67.1	0	0	0	0	108.4	P546 G813 F814 E815 D884 R885	P546-T879 HydrophobicContact CB-CG2 3.76Å; G813-T879 CarbonylContact C-O 3.52Å; G813-T879 WeakPolarHBondContact CA-O 3.25Å; F814-T879 PolarHBondContact N-O 2.76Å; F814-T879 PolarHBondContact O-N 3.3Å; E815-T879 WeakPolarHBondContact CG-OG1 3.12Å; E815-T879 WeakPolarHBondContact OE1-CB 3.29Å; E815-T879 PolarHBondContact OE1-OG1 3.41Å; T879-D884 CarbonylContact C-O 3.49Å; T879-D884 WeakPolarHBondContact CA-O 3.33Å; T879-R885 VanDerWaalsContact N-NH1 3.1Å; T879-R885 VanDerWaalsContact OG1-CD 3.27Å; T879-R885 WeakPolarHBondContact OG1-CD 3.44Å; T879-R885 PolarHBondContact OG1-NH1 3.01Å
880	S	96.3	Very high	96.8	Very high	11 Å²	11	18.3 Å²	18.3	8%	0.077	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	156	176.9	86.2	0	0	0	0	110.3	K882 G883 D884	S880-K882 PolarHBondContact O-N 3.02Å; S880-K882 PolarHBondContact OG-N 3.32Å; S880-K882 VanDerWaalsContact OG-N 3.14Å; S880-G883 PolarHBondContact O-N 3.12Å; S880-D884 PolarHBondContact N-O 3.29Å; S880-D884 PolarHBondContact OG-N 3.23Å; S880-D884 PolarHBondContact OG-OD2 2.99Å
881	S	94.6	Very high	96.9	Very high	21 Å²	21	18.5 Å²	18.5	15%	0.147	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-6.4	171.5	68.8	0	0	0	0	114	P582 G583 D584	P582-S881 WeakPolarHBondContact CB-OG 3.44Å; G583-S881 CarbonylContact C-O 3.54Å; G583-S881 WeakPolarHBondContact CA-O 3.41Å; D584-S881 PolarHBondContact N-O 3.35Å
882	K	94.1	Very high	96.9	Very high	147 Å²	147	18.7 Å²	18.7	64%	0.639	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	5	174.2	-64.5	-169.7	173	-169.1	0	113.8	S880	S880-K882 PolarHBondContact O-N 3.02Å; S880-K882 PolarHBondContact OG-N 3.32Å; S880-K882 VanDerWaalsContact OG-N 3.14Å
883	G	92.3	Very high	96.9	Very high	17 Å²	17	18.8 Å²	18.8	18%	0.175	9%	0.094	C	C	.	.	S	Bend	trans	83.9	0.3	-177	0	0	0	0	0	115.5	P546 S880	P546-G883 WeakPolarHBondContact CB-O 3.48Å; P546-G883 WeakPolarHBondContact CG-O 3.39Å; S880-G883 PolarHBondContact O-N 3.12Å
884	D	93	Very high	96.8	Very high	50 Å²	50	18.9 Å²	18.9	27%	0.267	9%	0.094	S	C	.	.			trans	-73.4	132.4	174.6	-36.8	-67.8	0	0	0	110.2	T879 S880 R886	T879-D884 CarbonylContact C-O 3.49Å; T879-D884 WeakPolarHBondContact CA-O 3.33Å; S880-D884 PolarHBondContact N-O 3.29Å; S880-D884 PolarHBondContact OG-N 3.23Å; S880-D884 PolarHBondContact OG-OD2 2.99Å; D884-R886 HydrophobicContact CB-CG 3.84Å; D884-R886 IonicContact OD2-CZ 3.83Å; D884-R886 VanDerWaalsContact OD2-CZ 3.29Å; D884-R886 IonicContact OD2-NE 3.1Å; D884-R886 PolarHBondContact OD2-NE 3.24Å; D884-R886 IonicContact OD2-NH2 2.61Å; D884-R886 PolarHBondContact OD2-NH2 3.03Å
885	R	96.1	Very high	96.8	Very high	30 Å²	30	19.5 Å²	19.5	11%	0.113	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.8	160.4	-160	70.1	172.3	151.6	-0.1	108.6	A537 Y541 T542 E815 L877 T879	A537-R885 HydrophobicContact CB-CB 4.12Å; A537-R885 HydrophobicContact CB-CG 4.03Å; A537-R885 WeakPolarHBondContact CB-O 3.31Å; A537-R885 PolarHBondContact N-O 2.91Å; Y541-R885 PolarHBondContact O-NE 2.84Å; T542-R885 HydrophobicContact CG2-CB 3.79Å; T542-R885 HydrophobicContact CG2-CG 3.76Å; E815-R885 PolarHBondContact O-NH1 3.14Å; E815-R885 PolarHBondContact O-NH2 3.09Å; L877-R885 HydrophobicContact CD1-CG 3.98Å; T879-R885 VanDerWaalsContact N-NH1 3.1Å; T879-R885 VanDerWaalsContact OG1-CD 3.27Å; T879-R885 WeakPolarHBondContact OG1-CD 3.44Å; T879-R885 PolarHBondContact OG1-NH1 3.01Å
886	R	96.3	Very high	96.8	Very high	47 Å²	47	19.9 Å²	19.9	18%	0.177	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	151.5	-173.8	-65	-176.6	179.8	-132	-4.2	112.2	E534 F535 L877 Y878 D884	E534-R886 HydrophobicContact CG-CB 4.4Å; E534-R886 WeakPolarHBondContact OE2-CD 3.4Å; E534-R886 IonicContact OE2-CZ 2.67Å; E534-R886 IonicContact OE2-NE 2.73Å; E534-R886 IonicContact OE2-NH1 3.77Å; E534-R886 PolarHBondContact OE2-NH1 2.88Å; F535-R886 CarbonylContact O-C 3.56Å; F535-R886 VanDerWaalsContact O-CA 3.24Å; F535-R886 WeakPolarHBondContact O-CA 3.33Å; L877-R886 WeakPolarHBondContact CA-O 3.49Å; Y878-R886 HydrophobicContact CD1-CB 4.17Å; Y878-R886 HydrophobicContact CE1-CB 3.63Å; Y878-R886 HydrophobicContact CE2-CB 4.27Å; Y878-R886 PolarHBondContact N-O 3.2Å; Y878-R886 PolarHBondContact O-N 3.45Å; Y878-R886 WeakPolarHBondContact OH-CD 3.38Å; D884-R886 HydrophobicContact CB-CG 3.84Å; D884-R886 IonicContact OD2-CZ 3.83Å; D884-R886 VanDerWaalsContact OD2-CZ 3.29Å; D884-R886 IonicContact OD2-NE 3.1Å; D884-R886 PolarHBondContact OD2-NE 3.24Å; D884-R886 IonicContact OD2-NH2 2.61Å; D884-R886 PolarHBondContact OD2-NH2 3.03Å
887	I	97.7	Very high	96.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	108.9	175.6	-56.1	152.5	0	0	0	108.9	I472 Y481 E534 F535 A537 Y541 V876 L877 V889	I472-I887 HydrophobicContact CD1-CD1 3.79Å; Y481-I887 HydrophobicContact CE1-CD1 4.28Å; Y481-I887 HydrophobicContact CE1-CG2 4.18Å; Y481-I887 HydrophobicContact CE2-CG2 4.29Å; E534-I887 CarbonylContact C-O 3.59Å; E534-I887 WeakPolarHBondContact CA-O 3.39Å; F535-I887 HydrophobicContact CB-CB 4.34Å; F535-I887 HydrophobicContact CD2-CB 4.39Å; F535-I887 PolarHBondContact N-O 3.37Å; F535-I887 PolarHBondContact O-N 3.29Å; A537-I887 HydrophobicContact CB-CD1 3.77Å; A537-I887 HydrophobicContact CB-CG1 3.99Å; Y541-I887 HydrophobicContact CD1-CD1 3.75Å; Y541-I887 HydrophobicContact CD1-CG1 4.42Å; Y541-I887 HydrophobicContact CD2-CD1 4.07Å; Y541-I887 HydrophobicContact CE1-CD1 3.43Å; Y541-I887 VanDerWaalsContact CE1-CD1 3.43Å; Y541-I887 HydrophobicContact CE1-CG1 4.37Å; Y541-I887 HydrophobicContact CE2-CD1 3.8Å; Y541-I887 HydrophobicContact CG-CD1 4.03Å; Y541-I887 VanDerWaalsContact CZ-CD1 3.43Å; V876-I887 CarbonylContact O-C 3.48Å; V876-I887 WeakPolarHBondContact O-CA 3.35Å; L877-I887 HydrophobicContact CB-CG1 4.36Å; L877-I887 HydrophobicContact CD1-CD1 4.33Å; L877-I887 HydrophobicContact CD1-CG1 3.53Å; I887-V889 HydrophobicContact CG2-CG2 3.78Å
888	R	97.8	Very high	96.7	Very high	10 Å²	10	24.3 Å²	24.3	4%	0.038	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.4	169.5	-168.8	176.9	-65.6	-172.2	-3.2	109.9	P457 R459 V533 E534 A875 V876 Y878 H890	P457-R888 WeakPolarHBondContact O-CD 3.28Å; R459-R888 PolarHBondContact O-NH1 2.94Å; V533-R888 WeakPolarHBondContact O-CA 3.46Å; E534-R888 HydrophobicContact CG-CB 4.48Å; E534-R888 IonicContact OE1-CZ 3.86Å; E534-R888 IonicContact OE1-NE 3.28Å; E534-R888 PolarHBondContact OE1-NE 2.93Å; E534-R888 IonicContact OE1-NH2 2.98Å; E534-R888 PolarHBondContact OE1-NH2 2.84Å; A875-R888 CarbonylContact C-O 3.5Å; A875-R888 WeakPolarHBondContact CA-O 3.2Å; V876-R888 PolarHBondContact N-O 2.79Å; V876-R888 PolarHBondContact O-N 2.98Å; Y878-R888 HydrophobicContact CE1-CB 4.43Å; R888-H890 VanDerWaalsContact CD-NE2 3.34Å; R888-H890 WeakPolarHBondContact CD-NE2 3.21Å; R888-H890 WeakPolarHBondContact CG-NE2 3.49Å
889	V	98.2	Very high	96.6	Very high	3 Å²	3	27 Å²	27	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.5	-178.6	-175.7	0	0	0	0	109.8	Y481 T532 V533 F535 Q873 A874 A875 I887	Y481-V889 HydrophobicContact CD1-CG2 4.41Å; Y481-V889 HydrophobicContact CD2-CG1 4.4Å; Y481-V889 HydrophobicContact CD2-CG2 3.9Å; Y481-V889 HydrophobicContact CE2-CG2 4.28Å; Y481-V889 HydrophobicContact CG-CG2 3.99Å; T532-V889 WeakPolarHBondContact CA-O 3.49Å; V533-V889 HydrophobicContact CG2-CB 4.18Å; V533-V889 PolarHBondContact N-O 3.17Å; V533-V889 VanDerWaalsContact N-O 3.07Å; V533-V889 PolarHBondContact O-N 2.84Å; F535-V889 HydrophobicContact CD2-CG2 4.09Å; F535-V889 HydrophobicContact CE2-CB 4.48Å; F535-V889 HydrophobicContact CE2-CG2 3.81Å; Q873-V889 HydrophobicContact CG-CG1 3.62Å; A874-V889 WeakPolarHBondContact O-CA 3.4Å; A875-V889 HydrophobicContact CB-CG2 4.23Å; I887-V889 HydrophobicContact CG2-CG2 3.78Å
890	H	98	Very high	96.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.7	173.2	-55.7	-68.3	0	0	0	108.8	V429 M430 P457 A531 T532 Q873 A874 R888	V429-H890 VanDerWaalsContact CG1-CE1 3.48Å; V429-H890 WeakPolarHBondContact CG1-CE1 3.29Å; V429-H890 WeakPolarHBondContact CG1-ND1 3.29Å; M430-H890 HydrophobicContact CE-CB 3.99Å; M430-H890 WeakPolarHBondContact CE-O 3.14Å; P457-H890 PolarHBondContact O-NE2 3.37Å; A531-H890 WeakPolarHBondContact O-CA 3.48Å; T532-H890 VanDerWaalsContact CG2-CE1 3.47Å; T532-H890 WeakPolarHBondContact CG2-CE1 3.19Å; T532-H890 WeakPolarHBondContact CG2-ND1 3.44Å; T532-H890 PolarHBondContact OG1-ND1 3.22Å; Q873-H890 CarbonylContact C-O 3.1Å; Q873-H890 VanDerWaalsContact CA-O 3.28Å; Q873-H890 WeakPolarHBondContact CA-O 3.43Å; A874-H890 PolarHBondContact N-O 3.45Å; A874-H890 PolarHBondContact O-N 2.89Å; R888-H890 VanDerWaalsContact CD-NE2 3.34Å; R888-H890 WeakPolarHBondContact CD-NE2 3.21Å; R888-H890 WeakPolarHBondContact CG-NE2 3.49Å
891	T	98.1	Very high	96.5	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.025	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.1	178.5	-47.3	0	0	0	0	110.2	N483 F485 A531 Q873	N483-T891 HydrophobicContact CB-CG2 4.04Å; F485-T891 HydrophobicContact CD2-CG2 3.69Å; F485-T891 HydrophobicContact CE2-CG2 3.87Å; A531-T891 PolarHBondContact O-N 2.9Å; Q873-T891 HydrophobicContact CB-CG2 4.25Å; Q873-T891 PolarHBondContact NE2-OG1 2.98Å
892	L	97.7	Very high	96.5	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.5	173.4	177.2	66.9	0	0	0	109	N424 C425 M430 C432 L453 C871 C872 L894	N424-L892 WeakPolarHBondContact OD1-CA 3.39Å; C425-L892 HydrophobicContact CB-CB 4.19Å; C425-L892 HydrophobicContact CB-CD1 4.33Å; M430-L892 HydrophobicContact CE-CB 3.72Å; M430-L892 HydrophobicContact CG-CD2 4.41Å; C432-L892 HydrophobicContact CB-CD2 4.2Å; L453-L892 HydrophobicContact CD2-CD2 4.06Å; C871-L892 CarbonylContact C-O 3.51Å; C871-L892 WeakPolarHBondContact CA-O 3.3Å; C872-L892 PolarHBondContact N-O 3.31Å; C872-L892 PolarHBondContact O-N 3.18Å; L892-L894 HydrophobicContact CD1-CD2 4Å; L892-L894 HydrophobicContact CD2-CD1 4.3Å; L892-L894 HydrophobicContact CD2-CD2 4.09Å; L892-L894 HydrophobicContact CD2-CG 4.34Å; L892-L894 HydrophobicContact CG-CD2 3.91Å; L892-L894 HydrophobicContact CG-CG 4.12Å
893	C	97.8	Very high	96.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.7	169.2	-175.1	0	0	0	0	110.5	L419 N424 F485 V870	L419-C893 HydrophobicContact CD1-CB 3.86Å; N424-C893 PolarHBondContact ND2-O 3.09Å; N424-C893 PolarHBondContact OD1-N 2.96Å; F485-C893 HydrophobicContact CD1-CB 3.53Å; F485-C893 HydrophobicContact CD2-CB 3.76Å; F485-C893 HydrophobicContact CE1-CB 3.37Å; F485-C893 HydrophobicContact CE2-CB 3.6Å; F485-C893 HydrophobicContact CG-CB 3.72Å; F485-C893 HydrophobicContact CZ-CB 3.39Å; V870-C893 WeakPolarHBondContact O-CA 3.45Å
894	L	97.7	Very high	96.8	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.7	-177.4	-55.7	172.9	0	0	0	110	P417 C432 V437 T869 V870 L892	P417-L894 HydrophobicContact CB-CD2 4.06Å; P417-L894 HydrophobicContact CG-CD2 3.63Å; C432-L894 HydrophobicContact CB-CD1 3.6Å; C432-L894 HydrophobicContact CB-CD2 4.33Å; V437-L894 HydrophobicContact CG2-CB 3.84Å; V437-L894 HydrophobicContact CG2-CD1 3.59Å; V437-L894 HydrophobicContact CG2-CG 4.37Å; T869-L894 CarbonylContact C-O 3.57Å; T869-L894 WeakPolarHBondContact CA-O 3.34Å; T869-L894 WeakPolarHBondContact CB-O 3.28Å; V870-L894 HydrophobicContact CG2-CB 4.1Å; V870-L894 PolarHBondContact N-O 2.88Å; V870-L894 PolarHBondContact O-N 3.04Å; L892-L894 HydrophobicContact CD1-CD2 4Å; L892-L894 HydrophobicContact CD2-CD1 4.3Å; L892-L894 HydrophobicContact CD2-CD2 4.09Å; L892-L894 HydrophobicContact CD2-CG 4.34Å; L892-L894 HydrophobicContact CG-CD2 3.91Å; L892-L894 HydrophobicContact CG-CG 4.12Å
895	P	97.3	Very high	96.9	Very high	15 Å²	15	26.2 Å²	26.2	10%	0.097	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	150.4	167.9	29.4	-36.1	0	0	0	112.2	A418 T435 N436 V437	A418-P895 HydrophobicContact CB-CG 4.46Å; T435-P895 VanDerWaalsContact O-CD 3.31Å; T435-P895 WeakPolarHBondContact O-CD 3.27Å; N436-P895 WeakPolarHBondContact OD1-CG 3.37Å; V437-P895 PolarHBondContact N-O 2.89Å
896	V	97.9	Very high	96.9	Very high	14 Å²	14	24.8 Å²	24.8	9%	0.085	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.2	169.1	179.3	0	0	0	0	109.1	V437 L864 C867 A868 V870	V437-V896 CarbonylContact O-C 3.47Å; V437-V896 VanDerWaalsContact O-CA 3.3Å; V437-V896 WeakPolarHBondContact O-CA 3.33Å; L864-V896 HydrophobicContact CB-CG1 4.12Å; L864-V896 HydrophobicContact CB-CG2 4.44Å; C867-V896 HydrophobicContact CB-CG2 4.43Å; C867-V896 VanDerWaalsContact O-CB 3.23Å; C867-V896 WeakPolarHBondContact O-CB 3.41Å; C867-V896 WeakPolarHBondContact O-CG2 3.45Å; A868-V896 PolarHBondContact O-N 3.43Å; V870-V896 HydrophobicContact CG1-CG2 3.82Å; V870-V896 HydrophobicContact CG2-CG2 4.37Å
897	V	97.4	Very high	96.9	Very high	11 Å²	11	22.6 Å²	22.6	7%	0.067	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.8	-176.7	-61.3	0	0	0	0	112.8	N436 V437 S439 E902 V903	N436-V897 HydrophobicContact CB-CB 4.39Å; N436-V897 HydrophobicContact CB-CG1 3.74Å; N436-V897 HydrophobicContact CB-CG2 3.75Å; V437-V897 PolarHBondContact O-N 3.39Å; S439-V897 WeakPolarHBondContact CB-O 3.46Å; S439-V897 PolarHBondContact N-O 3.3Å; V897-E902 HydrophobicContact CB-CB 3.72Å; V897-E902 HydrophobicContact CB-CG 4.47Å; V897-E902 HydrophobicContact CG1-CB 3.94Å; V897-E902 HydrophobicContact CG2-CB 3.86Å; V897-V903 HydrophobicContact CG2-CG2 3.7Å
898	H	97.1	Very high	96.9	Very high	110 Å²	110	22.7 Å²	22.7	51%	0.509	12%	0.12	S	C	.	.	S	Bend	trans	-115.1	-10.8	-169.5	-55	-62.5	0	0	0	114	S439 E902	S439-H898 VanDerWaalsContact CB-ND1 3.27Å; S439-H898 WeakPolarHBondContact CB-ND1 3.42Å; S439-H898 PolarHBondContact OG-ND1 2.93Å; H898-E902 PolarHBondContact N-OE2 2.84Å
899	T	96.3	Very high	96.9	Very high	64 Å²	64	22.7 Å²	22.7	39%	0.393	12%	0.121	S	C	.	.	S	Bend	trans	-115.2	146.9	178.7	73.5	0	0	0	0	112.6	T901 E902 V903	T899-T901 PolarHBondContact O-N 2.87Å; T899-E902 WeakPolarHBondContact CB-OE2 3.35Å; T899-E902 WeakPolarHBondContact CG2-OE2 3.36Å; T899-E902 PolarHBondContact N-OE2 3.13Å; T899-E902 PolarHBondContact O-N 3.48Å; T899-E902 VanDerWaalsContact O-N 3.16Å; T899-E902 WeakPolarHBondContact OG1-CG 3.27Å; T899-E902 PolarHBondContact OG1-N 2.97Å; T899-E902 PolarHBondContact OG1-OE2 2.91Å; T899-V903 PolarHBondContact O-N 3.11Å
900	A	96.2	Very high	96.8	Very high	10 Å²	10	22.7 Å²	22.7	8%	0.083	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-36.2	175.7	0	0	0	0	0	111.7	L443 E902 V903 F904 T950	L443-A900 HydrophobicContact CD1-CB 4.2Å; A900-E902 VanDerWaalsContact C-N 3.28Å; A900-E902 PolarHBondContact O-N 2.72Å; A900-V903 WeakPolarHBondContact O-CB 3.28Å; A900-V903 PolarHBondContact O-N 3.35Å; A900-V903 VanDerWaalsContact O-N 3.09Å; A900-F904 HydrophobicContact CB-CD2 4.45Å; A900-F904 HydrophobicContact CB-CE2 4.37Å; A900-F904 WeakPolarHBondContact O-CD2 3.4Å; A900-F904 PolarHBondContact O-N 2.98Å; A900-T950 HydrophobicContact CB-CG2 3.74Å
901	T	94.2	Very high	96.8	Very high	69 Å²	69	22.7 Å²	22.7	42%	0.423	12%	0.122	S	C	.	.	H	α-helix	trans	-58.4	-36.3	176.8	-49.6	0	0	0	0	113	T899 Q905	T899-T901 PolarHBondContact O-N 2.87Å; T901-Q905 VanDerWaalsContact CG2-NE2 3.3Å; T901-Q905 WeakPolarHBondContact O-CB 3.22Å; T901-Q905 VanDerWaalsContact O-CG 3.31Å; T901-Q905 WeakPolarHBondContact O-CG 3.46Å; T901-Q905 PolarHBondContact O-N 3.3Å; T901-Q905 VanDerWaalsContact O-N 3.13Å; T901-Q905 PolarHBondContact O-NE2 3.08Å; T901-Q905 VanDerWaalsContact O-NE2 3.16Å
902	E	95.4	Very high	96.8	Very high	74 Å²	74	22.5 Å²	22.5	35%	0.346	12%	0.12	S	C	.	.	H	α-helix	trans	-75.1	-36.9	174	-69.2	161	133.6	0	0	112.2	N436 V897 H898 T899 A900 Q905 G906	N436-E902 PolarHBondContact ND2-O 3.06Å; V897-E902 HydrophobicContact CB-CB 3.72Å; V897-E902 HydrophobicContact CB-CG 4.47Å; V897-E902 HydrophobicContact CG1-CB 3.94Å; V897-E902 HydrophobicContact CG2-CB 3.86Å; H898-E902 PolarHBondContact N-OE2 2.84Å; T899-E902 WeakPolarHBondContact CB-OE2 3.35Å; T899-E902 WeakPolarHBondContact CG2-OE2 3.36Å; T899-E902 PolarHBondContact N-OE2 3.13Å; T899-E902 PolarHBondContact O-N 3.48Å; T899-E902 VanDerWaalsContact O-N 3.16Å; T899-E902 WeakPolarHBondContact OG1-CG 3.27Å; T899-E902 PolarHBondContact OG1-N 2.97Å; T899-E902 PolarHBondContact OG1-OE2 2.91Å; A900-E902 VanDerWaalsContact C-N 3.28Å; A900-E902 PolarHBondContact O-N 2.72Å; E902-Q905 CarbonylContact O-C 3.4Å; E902-Q905 PolarHBondContact O-N 3.1Å; E902-G906 PolarHBondContact O-N 3.13Å
903	V	97.2	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-46.9	174.9	179.3	0	0	0	0	110.6	L434 P438 L443 C447 V897 T899 A900 Q905 G906 A907	L434-V903 HydrophobicContact CD1-CG1 3.99Å; L434-V903 HydrophobicContact CD2-CG1 3.95Å; P438-V903 HydrophobicContact CB-CG2 3.85Å; P438-V903 HydrophobicContact CG-CG2 4.39Å; L443-V903 HydrophobicContact CD2-CG2 4.22Å; L443-V903 HydrophobicContact CG-CG2 4.38Å; C447-V903 HydrophobicContact CB-CG1 4.17Å; V897-V903 HydrophobicContact CG2-CG2 3.7Å; T899-V903 PolarHBondContact O-N 3.11Å; A900-V903 WeakPolarHBondContact O-CB 3.28Å; A900-V903 PolarHBondContact O-N 3.35Å; A900-V903 VanDerWaalsContact O-N 3.09Å; V903-Q905 VanDerWaalsContact C-N 3.32Å; V903-Q905 PolarHBondContact O-N 2.62Å; V903-G906 CarbonylContact O-C 3.56Å; V903-G906 WeakPolarHBondContact O-CA 3.44Å; V903-G906 PolarHBondContact O-N 3.42Å; V903-A907 PolarHBondContact O-N 3.42Å
904	F	96.2	Very high	96.9	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-31.5	174.7	-73.3	-67.7	0	0	0	112.8	C447 L449 A900 G906 A907 A946 Y947 T950 P967 L970	C447-F904 HydrophobicContact CB-CE2 4.27Å; C447-F904 HydrophobicContact CB-CZ 4.11Å; C447-F904 WeakPolarHBondContact O-CZ 3.48Å; L449-F904 HydrophobicContact CD1-CD1 3.8Å; L449-F904 HydrophobicContact CD1-CE1 3.79Å; L449-F904 HydrophobicContact CD2-CE1 4.26Å; L449-F904 HydrophobicContact CG-CE1 4.03Å; A900-F904 HydrophobicContact CB-CD2 4.45Å; A900-F904 HydrophobicContact CB-CE2 4.37Å; A900-F904 WeakPolarHBondContact O-CD2 3.4Å; A900-F904 PolarHBondContact O-N 2.98Å; F904-G906 VanDerWaalsContact C-N 3.29Å; F904-A907 PolarHBondContact O-N 2.88Å; F904-A946 HydrophobicContact CZ-CB 4.21Å; F904-Y947 HydrophobicContact CB-CD2 4.35Å; F904-Y947 HydrophobicContact CD1-CD2 4.28Å; F904-Y947 AromaticContact CD2-CD2 3.85Å; F904-Y947 HydrophobicContact CD2-CD2 3.85Å; F904-Y947 HydrophobicContact CE2-CD2 4.22Å; F904-Y947 AromaticContact CG-CD2 3.91Å; F904-Y947 HydrophobicContact CG-CD2 3.91Å; F904-T950 WeakPolarHBondContact CE2-OG1 3.39Å; F904-P967 HydrophobicContact CB-CB 4.2Å; F904-P967 HydrophobicContact CB-CG 4.36Å; F904-P967 HydrophobicContact CD1-CG 3.91Å; F904-P967 HydrophobicContact CG-CG 4.39Å; F904-L970 HydrophobicContact CD1-CD1 4.06Å; F904-L970 HydrophobicContact CE1-CD1 4.23Å
905	Q	94.1	Very high	96.9	Very high	73 Å²	73	22 Å²	22	34%	0.341	12%	0.117	S	C	.	.	H	α-helix	trans	-70.3	-23.4	169.5	-78.5	169.2	63	0	0	113	T901 E902 V903 N969	T901-Q905 VanDerWaalsContact CG2-NE2 3.3Å; T901-Q905 WeakPolarHBondContact O-CB 3.22Å; T901-Q905 VanDerWaalsContact O-CG 3.31Å; T901-Q905 WeakPolarHBondContact O-CG 3.46Å; T901-Q905 PolarHBondContact O-N 3.3Å; T901-Q905 VanDerWaalsContact O-N 3.13Å; T901-Q905 PolarHBondContact O-NE2 3.08Å; T901-Q905 VanDerWaalsContact O-NE2 3.16Å; E902-Q905 CarbonylContact O-C 3.4Å; E902-Q905 PolarHBondContact O-N 3.1Å; V903-Q905 VanDerWaalsContact C-N 3.32Å; V903-Q905 PolarHBondContact O-N 2.62Å; Q905-N969 PolarHBondContact O-ND2 3.27Å
906	G	95.7	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.6	173.6	0	0	0	0	0	114.9	T435 N436 E902 V903 F904 D908	T435-G906 PolarHBondContact N-O 3.3Å; T435-G906 WeakPolarHBondContact OG1-CA 3.39Å; T435-G906 PolarHBondContact OG1-O 3.38Å; N436-G906 PolarHBondContact ND2-N 3.19Å; E902-G906 PolarHBondContact O-N 3.13Å; V903-G906 CarbonylContact O-C 3.56Å; V903-G906 WeakPolarHBondContact O-CA 3.44Å; V903-G906 PolarHBondContact O-N 3.42Å; F904-G906 VanDerWaalsContact C-N 3.29Å; G906-D908 PolarHBondContact O-N 2.99Å
907	A	97.4	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-69.8	127.5	-173.1	0	0	0	0	0	112.3	L434 L449 V903 F904 I912 N969 L970	L434-A907 HydrophobicContact CD2-CB 4.21Å; L449-A907 HydrophobicContact CD1-CB 3.8Å; V903-A907 PolarHBondContact O-N 3.42Å; F904-A907 PolarHBondContact O-N 2.88Å; A907-I912 HydrophobicContact CB-CD1 4.15Å; A907-N969 WeakPolarHBondContact O-CB 3.27Å; A907-L970 HydrophobicContact CB-CD2 3.78Å; A907-L970 HydrophobicContact CB-CG 4.22Å
908	D	97.3	Very high	97	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	11%	0.111	C	C	.	.			trans	-103.3	91.7	177.6	-177.9	-21.4	0	0	0	109.6	P415 R431 T433 G906 G910 S911 I912	P415-D908 HydrophobicContact CG-CB 3.85Å; R431-D908 IonicContact CZ-OD2 3.15Å; R431-D908 VanDerWaalsContact NH1-CG 3.34Å; R431-D908 IonicContact NH1-OD1 3.66Å; R431-D908 PolarHBondContact NH1-OD1 3.41Å; R431-D908 IonicContact NH1-OD2 3.9Å; R431-D908 PolarHBondContact NH1-OD2 2.93Å; R431-D908 IonicContact NH2-OD2 3.83Å; R431-D908 PolarHBondContact NH2-OD2 3.21Å; T433-D908 PolarHBondContact O-N 2.82Å; G906-D908 PolarHBondContact O-N 2.99Å; D908-G910 PolarHBondContact O-N 2.8Å; D908-G910 VanDerWaalsContact O-N 3.1Å; D908-G910 PolarHBondContact OD1-N 2.88Å; D908-G910 VanDerWaalsContact OD1-N 3.15Å; D908-S911 VanDerWaalsContact CG-CB 3.49Å; D908-S911 PolarHBondContact O-N 2.79Å; D908-S911 VanDerWaalsContact O-N 3.08Å; D908-S911 PolarHBondContact OD1-N 2.92Å; D908-S911 PolarHBondContact OD1-OG 3.19Å; D908-S911 PolarHBondContact OD2-OG 3.38Å; D908-I912 WeakPolarHBondContact O-CB 2.95Å; D908-I912 VanDerWaalsContact O-CG1 3.3Å; D908-I912 WeakPolarHBondContact O-CG1 3.17Å; D908-I912 PolarHBondContact O-N 2.66Å
909	Q	97.1	Very high	97	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-48.5	-35.8	178.7	52.7	-171.6	5	0	0	114.4	D412 A913 N969 L970 R971 L973 Y976	D412-Q909 PolarHBondContact OD2-NE2 2.83Å; Q909-A913 VanDerWaalsContact O-CB 3.3Å; Q909-A913 WeakPolarHBondContact O-CB 3.43Å; Q909-A913 PolarHBondContact O-N 2.63Å; Q909-N969 VanDerWaalsContact CB-O 3.31Å; Q909-N969 WeakPolarHBondContact CB-O 3.45Å; Q909-N969 WeakPolarHBondContact CG-O 3.34Å; Q909-N969 PolarHBondContact OE1-O 2.78Å; Q909-L970 HydrophobicContact CB-CD2 4.27Å; Q909-R971 VanDerWaalsContact OE1-N 3.14Å; Q909-L973 HydrophobicContact CB-CB 4.17Å; Q909-Y976 HydrophobicContact CG-CE2 4.29Å
910	G	96.7	Very high	97.1	Very high	4 Å²	4	15.5 Å²	15.5	4%	0.041	8%	0.082	C	C	.	.	H	α-helix	trans	-72.4	-46.4	179	0	0	0	0	0	112	D908 A913 C914	D908-G910 PolarHBondContact O-N 2.8Å; D908-G910 VanDerWaalsContact O-N 3.1Å; D908-G910 PolarHBondContact OD1-N 2.88Å; D908-G910 VanDerWaalsContact OD1-N 3.15Å; G910-A913 PolarHBondContact O-N 2.81Å; G910-C914 WeakPolarHBondContact O-CB 3.29Å; G910-C914 PolarHBondContact O-N 2.91Å; G910-C914 PolarHBondContact O-SG 2.98Å
911	S	97.8	Very high	97.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-39.3	175.1	-63.5	0	0	0	0	111.9	R431 D908 C914 L915	R431-S911 WeakPolarHBondContact CB-OG 3.19Å; R431-S911 PolarHBondContact NH1-OG 3.36Å; D908-S911 VanDerWaalsContact CG-CB 3.49Å; D908-S911 PolarHBondContact O-N 2.79Å; D908-S911 VanDerWaalsContact O-N 3.08Å; D908-S911 PolarHBondContact OD1-N 2.92Å; D908-S911 PolarHBondContact OD1-OG 3.19Å; D908-S911 PolarHBondContact OD2-OG 3.38Å; S911-C914 PolarHBondContact O-N 3.1Å; S911-L915 PolarHBondContact O-N 3.12Å
912	I	98.6	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62	-50.1	175.1	-68.4	163.7	0	0	0	110.5	T433 L449 P450 A907 D908 C914 L915 L916 L970 L973	T433-I912 HydrophobicContact CG2-CG1 3.99Å; L449-I912 HydrophobicContact CD2-CD1 4.48Å; P450-I912 HydrophobicContact CG-CG2 4.07Å; A907-I912 HydrophobicContact CB-CD1 4.15Å; D908-I912 WeakPolarHBondContact O-CB 2.95Å; D908-I912 VanDerWaalsContact O-CG1 3.3Å; D908-I912 WeakPolarHBondContact O-CG1 3.17Å; D908-I912 PolarHBondContact O-N 2.66Å; I912-C914 VanDerWaalsContact C-N 3.3Å; I912-C914 PolarHBondContact O-N 2.73Å; I912-L915 PolarHBondContact O-N 3.48Å; I912-L916 HydrophobicContact CG2-CD1 3.75Å; I912-L916 HydrophobicContact CG2-CG 4.27Å; I912-L916 WeakPolarHBondContact O-CB 2.88Å; I912-L916 WeakPolarHBondContact O-CG 3.35Å; I912-L916 PolarHBondContact O-N 3.44Å; I912-L970 HydrophobicContact CD1-CD2 3.79Å; I912-L973 HydrophobicContact CB-CD1 4.42Å; I912-L973 HydrophobicContact CG2-CD1 3.81Å; I912-L973 HydrophobicContact CG2-CD2 3.93Å
913	A	98.3	Very high	97.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.1	-39.2	177.6	0	0	0	0	0	112.2	Q909 G910 S917 L973 Y976 L1013 I1016	Q909-A913 VanDerWaalsContact O-CB 3.3Å; Q909-A913 WeakPolarHBondContact O-CB 3.43Å; Q909-A913 PolarHBondContact O-N 2.63Å; G910-A913 PolarHBondContact O-N 2.81Å; A913-S917 VanDerWaalsContact O-CB 3.29Å; A913-S917 WeakPolarHBondContact O-CB 3.38Å; A913-S917 PolarHBondContact O-N 3.25Å; A913-S917 PolarHBondContact O-OG 3.2Å; A913-L973 HydrophobicContact CB-CD1 4.17Å; A913-Y976 HydrophobicContact CB-CD2 3.99Å; A913-Y976 HydrophobicContact CB-CG 4.14Å; A913-L1013 HydrophobicContact CB-CD2 4.1Å; A913-I1016 HydrophobicContact CB-CD1 4.25Å
914	C	98.3	Very high	97.2	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.007	7%	0.072	C	C	.	.	H	α-helix	trans	-64	-43.9	175.8	-71.8	0	0	0	0	113.1	V454 G910 S911 I912 K918 P1009 L1012	V454-C914 HydrophobicContact CG1-CB 4Å; G910-C914 WeakPolarHBondContact O-CB 3.29Å; G910-C914 PolarHBondContact O-N 2.91Å; G910-C914 PolarHBondContact O-SG 2.98Å; S911-C914 PolarHBondContact O-N 3.1Å; I912-C914 VanDerWaalsContact C-N 3.3Å; I912-C914 PolarHBondContact O-N 2.73Å; C914-K918 PolarHBondContact O-N 3.35Å; C914-P1009 PolarHBondContact SG-O 2.86Å; C914-L1012 HydrophobicContact CB-CD2 4.01Å
915	L	98.6	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66	-50.1	177.8	179.7	61.3	0	0	0	110.8	T433 P450 V454 A855 S911 I912 S917 K918 M919	T433-L915 HydrophobicContact CG2-CB 4.15Å; T433-L915 HydrophobicContact CG2-CD2 3.72Å; P450-L915 HydrophobicContact CB-CD2 4.07Å; P450-L915 HydrophobicContact CG-CD2 4.46Å; V454-L915 HydrophobicContact CG1-CB 4.22Å; A855-L915 HydrophobicContact CB-CD1 3.91Å; S911-L915 PolarHBondContact O-N 3.12Å; I912-L915 PolarHBondContact O-N 3.48Å; L915-S917 VanDerWaalsContact C-N 3.29Å; L915-S917 PolarHBondContact O-N 2.93Å; L915-K918 PolarHBondContact O-N 3.17Å; L915-K918 VanDerWaalsContact O-N 3.15Å; L915-M919 HydrophobicContact CD1-CG 4.26Å; L915-M919 HydrophobicContact CD1-SD 4.19Å; L915-M919 HydrophobicContact CD2-SD 4.43Å; L915-M919 HydrophobicContact CG-CG 4.39Å; L915-M919 HydrophobicContact CG-SD 3.82Å; L915-M919 VanDerWaalsContact O-CG 3.31Å; L915-M919 WeakPolarHBondContact O-CG 3.38Å; L915-M919 PolarHBondContact O-N 3.1Å
916	L	98.5	Very high	97	Very high	19 Å²	19	17.6 Å²	17.6	10%	0.099	9%	0.093	C	C	.	.	H	α-helix	trans	-57.6	-40	176.5	-71.1	176	0	0	0	112.1	P450 I912 K918 M919 A920 L936 A939 L973 I977	P450-L916 HydrophobicContact CG-CD2 4.23Å; P450-L916 HydrophobicContact CG-CG 4.37Å; I912-L916 HydrophobicContact CG2-CD1 3.75Å; I912-L916 HydrophobicContact CG2-CG 4.27Å; I912-L916 WeakPolarHBondContact O-CB 2.88Å; I912-L916 WeakPolarHBondContact O-CG 3.35Å; I912-L916 PolarHBondContact O-N 3.44Å; L916-K918 PolarHBondContact O-N 2.91Å; L916-M919 HydrophobicContact CD2-SD 4.49Å; L916-M919 PolarHBondContact O-N 3.44Å; L916-A920 VanDerWaalsContact O-CB 3.26Å; L916-A920 WeakPolarHBondContact O-CB 3.44Å; L916-A920 PolarHBondContact O-N 3.17Å; L916-L936 HydrophobicContact CB-CD2 4.07Å; L916-A939 HydrophobicContact CD1-CB 4.06Å; L916-A939 HydrophobicContact CD2-CB 4.06Å; L916-L973 HydrophobicContact CD1-CD1 4.48Å; L916-I977 HydrophobicContact CB-CD1 4.48Å; L916-I977 HydrophobicContact CD1-CD1 4.24Å
917	S	98.5	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-48.2	175.3	-61.6	0	0	0	0	112	A913 L915 A920 V921 L980	A913-S917 VanDerWaalsContact O-CB 3.29Å; A913-S917 WeakPolarHBondContact O-CB 3.38Å; A913-S917 PolarHBondContact O-N 3.25Å; A913-S917 PolarHBondContact O-OG 3.2Å; L915-S917 VanDerWaalsContact C-N 3.29Å; L915-S917 PolarHBondContact O-N 2.93Å; S917-A920 PolarHBondContact O-N 3.36Å; S917-V921 PolarHBondContact O-N 2.86Å; S917-L980 WeakPolarHBondContact OG-CD2 3.47Å
918	K	98.1	Very high	96.6	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-71.4	-36.4	-179.8	-66.1	-175.3	-165.7	-79.3	0	112.2	H832 G853 A855 C914 L915 L916 A920 V921 D922 I1004 K1005 A1007 L1012	H832-K918 HydrophobicContact CB-CB 3.83Å; H832-K918 HydrophobicContact CB-CD 4.15Å; G853-K918 PolarHBondContact O-NZ 3.22Å; A855-K918 HydrophobicContact CB-CD 3.8Å; C914-K918 PolarHBondContact O-N 3.35Å; L915-K918 PolarHBondContact O-N 3.17Å; L915-K918 VanDerWaalsContact O-N 3.15Å; L916-K918 PolarHBondContact O-N 2.91Å; K918-A920 VanDerWaalsContact C-N 3.34Å; K918-V921 PolarHBondContact O-N 3.06Å; K918-D922 PolarHBondContact O-N 3.26Å; K918-I1004 HydrophobicContact CG-CG2 4.23Å; K918-I1004 PolarHBondContact NZ-O 3.46Å; K918-K1005 PolarHBondContact NZ-O 2.88Å; K918-A1007 PolarHBondContact NZ-O 3.3Å; K918-L1012 HydrophobicContact CG-CD2 4.23Å
919	M	97.7	Very high	96.5	Very high	50 Å²	50	20.7 Å²	20.7	25%	0.246	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-38.8	171.8	-68.3	172.4	75.8	0	0	112.1	L915 L916 D922 R923	L915-M919 HydrophobicContact CD1-CG 4.26Å; L915-M919 HydrophobicContact CD1-SD 4.19Å; L915-M919 HydrophobicContact CD2-SD 4.43Å; L915-M919 HydrophobicContact CG-CG 4.39Å; L915-M919 HydrophobicContact CG-SD 3.82Å; L915-M919 VanDerWaalsContact O-CG 3.31Å; L915-M919 WeakPolarHBondContact O-CG 3.38Å; L915-M919 PolarHBondContact O-N 3.1Å; L916-M919 HydrophobicContact CD2-SD 4.49Å; L916-M919 PolarHBondContact O-N 3.44Å; M919-D922 PolarHBondContact O-N 3.17Å; M919-R923 PolarHBondContact O-N 3Å
920	A	98	Very high	96.4	Very high	6 Å²	6	22.9 Å²	22.9	5%	0.05	14%	0.135	C	C	.	.	H	α-helix	trans	-68.4	-32.9	178	0	0	0	0	0	112.6	L916 S917 K918 R923 T924 L936 F986	L916-A920 VanDerWaalsContact O-CB 3.26Å; L916-A920 WeakPolarHBondContact O-CB 3.44Å; L916-A920 PolarHBondContact O-N 3.17Å; S917-A920 PolarHBondContact O-N 3.36Å; K918-A920 VanDerWaalsContact C-N 3.34Å; A920-R923 PolarHBondContact O-N 2.92Å; A920-T924 PolarHBondContact O-N 3.29Å; A920-T924 PolarHBondContact O-OG1 3.25Å; A920-L936 HydrophobicContact CB-CD1 3.78Å; A920-L936 HydrophobicContact CB-CD2 3.81Å; A920-L936 HydrophobicContact CB-CG 3.82Å; A920-F986 HydrophobicContact CB-CE1 3.68Å; A920-F986 HydrophobicContact CB-CZ 3.61Å
921	V	97.5	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-50.3	170.8	173.5	0	0	0	0	110.5	S917 K918 R923 T924 I925 F986 L1001 I1004 K1005	S917-V921 PolarHBondContact O-N 2.86Å; K918-V921 PolarHBondContact O-N 3.06Å; V921-R923 PolarHBondContact O-N 3.16Å; V921-T924 PolarHBondContact O-N 3.12Å; V921-I925 HydrophobicContact CG1-CD1 3.82Å; V921-I925 WeakPolarHBondContact O-CG1 3.29Å; V921-I925 PolarHBondContact O-N 3.43Å; V921-I925 VanDerWaalsContact O-N 3.12Å; V921-F986 HydrophobicContact CG2-CZ 4Å; V921-L1001 HydrophobicContact CB-CD2 4.17Å; V921-L1001 HydrophobicContact CG1-CB 3.83Å; V921-L1001 HydrophobicContact CG1-CD2 3.91Å; V921-L1001 HydrophobicContact CG1-CG 4.39Å; V921-L1001 HydrophobicContact CG2-CD2 3.89Å; V921-I1004 HydrophobicContact CG2-CB 3.82Å; V921-I1004 HydrophobicContact CG2-CG2 3.52Å; V921-K1005 HydrophobicContact CB-CD 3.98Å; V921-K1005 HydrophobicContact CB-CG 4.06Å; V921-K1005 HydrophobicContact CG1-CD 3.81Å; V921-K1005 HydrophobicContact CG1-CG 3.54Å; V921-K1005 HydrophobicContact CG2-CG 4.36Å
922	D	95.6	Very high	96.2	Very high	51 Å²	51	26.6 Å²	26.6	27%	0.273	15%	0.154	S	C	.	.	H	α-helix	trans	-60.6	-37.3	179.6	-67.8	-43.5	0	0	0	111.3	H832 K918 M919 I925 S926 K1005	H832-D922 IonicContact CE1-OD2 2.72Å; H832-D922 IonicContact CG-OD2 2.67Å; H832-D922 IonicContact ND1-OD2 2.74Å; H832-D922 PolarHBondContact ND1-OD2 3.09Å; K918-D922 PolarHBondContact O-N 3.26Å; M919-D922 PolarHBondContact O-N 3.17Å; D922-I925 PolarHBondContact O-N 3.26Å; D922-S926 WeakPolarHBondContact O-CB 3.41Å; D922-S926 PolarHBondContact O-N 2.84Å; D922-S926 PolarHBondContact O-OG 2.77Å; D922-K1005 IonicContact OD1-NZ 3.57Å; D922-K1005 PolarHBondContact OD1-NZ 3.27Å; D922-K1005 IonicContact OD2-NZ 2.85Å; D922-K1005 PolarHBondContact OD2-NZ 2.56Å
923	R	95.6	Very high	96.1	Very high	95 Å²	95	29.4 Å²	29.4	36%	0.358	16%	0.164	S	C	.	.	H	α-helix	trans	-72.6	-33.2	175.9	-163	162	-143.9	79.2	3.9	114.4	M919 A920 V921 I925 S926 S927 G928 A932	M919-R923 PolarHBondContact O-N 3Å; A920-R923 PolarHBondContact O-N 2.92Å; V921-R923 PolarHBondContact O-N 3.16Å; R923-I925 VanDerWaalsContact C-N 3.3Å; R923-I925 PolarHBondContact O-N 3.22Å; R923-S926 PolarHBondContact O-N 3.03Å; R923-S927 CarbonylContact O-C 3.5Å; R923-S927 WeakPolarHBondContact O-CA 3.5Å; R923-S927 WeakPolarHBondContact O-CB 3.42Å; R923-S927 PolarHBondContact O-N 3.02Å; R923-G928 PolarHBondContact O-N 3.35Å; R923-A932 HydrophobicContact CB-CB 4.28Å
924	T	95.9	Very high	96	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-42.6	171	-68.5	0	0	0	0	110.4	F709 A920 V921 G928 L929 A932 F986 L1001	F709-T924 HydrophobicContact CD1-CG2 3.87Å; F709-T924 HydrophobicContact CD2-CG2 3.71Å; F709-T924 HydrophobicContact CE1-CG2 3.78Å; F709-T924 HydrophobicContact CE2-CG2 3.61Å; F709-T924 HydrophobicContact CG-CG2 3.84Å; F709-T924 HydrophobicContact CZ-CG2 3.65Å; A920-T924 PolarHBondContact O-N 3.29Å; A920-T924 PolarHBondContact O-OG1 3.25Å; V921-T924 PolarHBondContact O-N 3.12Å; T924-G928 VanDerWaalsContact O-CA 3.29Å; T924-G928 WeakPolarHBondContact O-CA 3.49Å; T924-G928 PolarHBondContact O-N 3.31Å; T924-L929 HydrophobicContact CG2-CB 4.42Å; T924-A932 WeakPolarHBondContact OG1-CB 3.33Å; T924-F986 WeakPolarHBondContact OG1-CE1 3.46Å; T924-L1001 HydrophobicContact CG2-CD1 4.09Å; T924-L1001 HydrophobicContact CG2-CD2 4.25Å
925	I	93.5	Very high	96	Very high	43 Å²	43	35.6 Å²	35.6	22%	0.221	20%	0.201	C	C	.	.	H	α-helix	trans	-72.2	-40.2	-179.8	-61.7	163.4	0	0	0	111.4	V921 D922 R923	V921-I925 HydrophobicContact CG1-CD1 3.82Å; V921-I925 WeakPolarHBondContact O-CG1 3.29Å; V921-I925 PolarHBondContact O-N 3.43Å; V921-I925 VanDerWaalsContact O-N 3.12Å; D922-I925 PolarHBondContact O-N 3.26Å; R923-I925 VanDerWaalsContact C-N 3.3Å; R923-I925 PolarHBondContact O-N 3.22Å
926	S	93.2	Very high	96	Very high	83 Å²	83	35.8 Å²	35.8	58%	0.58	20%	0.202	S	C	*	.	H	α-helix	trans	-83.6	-21.8	-177.9	74	0	0	0	0	115.1	D922 R923	D922-S926 WeakPolarHBondContact O-CB 3.41Å; D922-S926 PolarHBondContact O-N 2.84Å; D922-S926 PolarHBondContact O-OG 2.77Å; R923-S926 PolarHBondContact O-N 3.03Å
927	S	92.7	Very high	95.9	Very high	48 Å²	48	35.2 Å²	35.2	34%	0.336	20%	0.2	S	C	.	.	H	α-helix	trans	-151.8	8.4	-162.9	-51.6	0	0	0	0	114.4	R923 N931	R923-S927 CarbonylContact O-C 3.5Å; R923-S927 WeakPolarHBondContact O-CA 3.5Å; R923-S927 WeakPolarHBondContact O-CB 3.42Å; R923-S927 PolarHBondContact O-N 3.02Å; S927-N931 PolarHBondContact O-ND2 2.9Å
928	G	92	Very high	95.9	Very high	20 Å²	20	37.5 Å²	37.5	21%	0.206	21%	0.212	C	C	.	.			trans	83.4	157.3	175.2	0	0	0	0	0	115	R923 T924 S930 N931 A932	R923-G928 PolarHBondContact O-N 3.35Å; T924-G928 VanDerWaalsContact O-CA 3.29Å; T924-G928 WeakPolarHBondContact O-CA 3.49Å; T924-G928 PolarHBondContact O-N 3.31Å; G928-S930 PolarHBondContact O-N 2.85Å; G928-N931 PolarHBondContact O-N 3.11Å; G928-A932 PolarHBondContact O-N 2.86Å
929	L	94.8	Very high	95.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-41.3	-172.3	173.6	58.9	0	0	0	113.4	V706 F709 T924 N931 A932 R933 F986 V988	V706-L929 HydrophobicContact CB-CD2 4.49Å; V706-L929 HydrophobicContact CG2-CD2 3.87Å; F709-L929 HydrophobicContact CE2-CB 3.88Å; F709-L929 HydrophobicContact CZ-CB 4.13Å; T924-L929 HydrophobicContact CG2-CB 4.42Å; L929-N931 PolarHBondContact O-N 3.22Å; L929-A932 PolarHBondContact O-N 2.97Å; L929-R933 HydrophobicContact CD1-CG 3.96Å; L929-R933 HydrophobicContact CG-CG 4.43Å; L929-R933 WeakPolarHBondContact O-CG 3.47Å; L929-R933 PolarHBondContact O-N 2.94Å; L929-F986 HydrophobicContact CD1-CB 4.34Å; L929-F986 HydrophobicContact CD1-CD1 4.02Å; L929-V988 HydrophobicContact CD2-CG1 3.75Å; L929-V988 HydrophobicContact CG-CG1 4.39Å
930	S	94	Very high	95.8	Very high	56 Å²	56	36.2 Å²	36.2	39%	0.392	21%	0.21	S	C	.	.	H	α-helix	trans	-57.7	-49.6	-179.8	-162.7	0	0	0	0	112	G928 A932 R933 E934	G928-S930 PolarHBondContact O-N 2.85Å; S930-A932 VanDerWaalsContact C-N 3.31Å; S930-A932 PolarHBondContact O-N 2.68Å; S930-R933 PolarHBondContact O-N 3.19Å; S930-R933 VanDerWaalsContact O-N 3.13Å; S930-E934 PolarHBondContact O-N 3.05Å
931	N	95.1	Very high	95.8	Very high	82 Å²	82	36.1 Å²	36.1	44%	0.439	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-31.6	-179.5	-70.5	-46.6	0	0	0	112.9	S927 G928 L929 A935	S927-N931 PolarHBondContact O-ND2 2.9Å; G928-N931 PolarHBondContact O-N 3.11Å; L929-N931 PolarHBondContact O-N 3.22Å; N931-A935 VanDerWaalsContact O-CB 3.29Å; N931-A935 WeakPolarHBondContact O-CB 3.47Å; N931-A935 PolarHBondContact O-N 2.91Å; N931-A935 VanDerWaalsContact O-N 3.11Å
932	A	96.6	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-41.3	172.6	0	0	0	0	0	112.1	R923 T924 G928 L929 S930 A935 L936 F986	R923-A932 HydrophobicContact CB-CB 4.28Å; T924-A932 WeakPolarHBondContact OG1-CB 3.33Å; G928-A932 PolarHBondContact O-N 2.86Å; L929-A932 PolarHBondContact O-N 2.97Å; S930-A932 VanDerWaalsContact C-N 3.31Å; S930-A932 PolarHBondContact O-N 2.68Å; A932-A935 PolarHBondContact O-N 3Å; A932-L936 WeakPolarHBondContact O-CG 3.29Å; A932-L936 PolarHBondContact O-N 3.32Å; A932-L936 VanDerWaalsContact O-N 3.09Å; A932-F986 HydrophobicContact CB-CE1 4.24Å
933	R	96.6	Very high	95.7	Very high	58 Å²	58	36.6 Å²	36.6	22%	0.219	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-42.4	176.3	-69.8	174.4	58.8	75.5	8.4	112.3	L929 S930 L936 A937 L981 F986	L929-R933 HydrophobicContact CD1-CG 3.96Å; L929-R933 HydrophobicContact CG-CG 4.43Å; L929-R933 WeakPolarHBondContact O-CG 3.47Å; L929-R933 PolarHBondContact O-N 2.94Å; S930-R933 PolarHBondContact O-N 3.19Å; S930-R933 VanDerWaalsContact O-N 3.13Å; R933-L936 PolarHBondContact O-N 2.98Å; R933-A937 PolarHBondContact O-N 3.19Å; R933-A937 VanDerWaalsContact O-N 3.17Å; R933-L981 HydrophobicContact CB-CD2 3.89Å; R933-L981 HydrophobicContact CG-CD2 3.83Å; R933-L981 PolarHBondContact NH1-O 2.94Å; R933-F986 WeakPolarHBondContact CD-O 3.22Å; R933-F986 PolarHBondContact NH1-O 3.41Å
934	E	96.2	Very high	95.7	Very high	87 Å²	87	32.2 Å²	32.2	41%	0.407	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-48.3	175.8	-160.6	-157.7	133.5	0	0	110.7	S930 L936 A937 N938	S930-E934 PolarHBondContact O-N 3.05Å; E934-L936 VanDerWaalsContact C-N 3.26Å; E934-L936 PolarHBondContact O-N 3.2Å; E934-A937 PolarHBondContact O-N 3.49Å; E934-A937 VanDerWaalsContact O-N 3.11Å; E934-N938 WeakPolarHBondContact O-CB 3.39Å; E934-N938 VanDerWaalsContact O-CG 3.22Å; E934-N938 PolarHBondContact O-N 3.13Å; E934-N938 PolarHBondContact O-OD1 3.39Å; E934-N938 PolarHBondContact OE1-ND2 3.12Å
935	A	97.4	Very high	95.6	Very high	44 Å²	44	34 Å²	34	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-58.1	-36.3	177.9	0	0	0	0	0	113.1	N931 A932 A939	N931-A935 VanDerWaalsContact O-CB 3.29Å; N931-A935 WeakPolarHBondContact O-CB 3.47Å; N931-A935 PolarHBondContact O-N 2.91Å; N931-A935 VanDerWaalsContact O-N 3.11Å; A932-A935 PolarHBondContact O-N 3Å; A935-A939 VanDerWaalsContact O-CB 3.29Å; A935-A939 WeakPolarHBondContact O-CB 3.4Å; A935-A939 PolarHBondContact O-N 3.26Å
936	L	98.1	Very high	95.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-43	174.9	-75	174.3	0	0	0	112.8	L916 A920 A932 R933 E934 I977 L980 L981 F986	L916-L936 HydrophobicContact CB-CD2 4.07Å; A920-L936 HydrophobicContact CB-CD1 3.78Å; A920-L936 HydrophobicContact CB-CD2 3.81Å; A920-L936 HydrophobicContact CB-CG 3.82Å; A932-L936 WeakPolarHBondContact O-CG 3.29Å; A932-L936 PolarHBondContact O-N 3.32Å; A932-L936 VanDerWaalsContact O-N 3.09Å; R933-L936 PolarHBondContact O-N 2.98Å; E934-L936 VanDerWaalsContact C-N 3.26Å; E934-L936 PolarHBondContact O-N 3.2Å; L936-I977 HydrophobicContact CB-CG2 4.06Å; L936-I977 HydrophobicContact CD2-CD1 4.25Å; L936-L980 HydrophobicContact CD1-CD2 3.57Å; L936-L980 HydrophobicContact CD1-CG 3.99Å; L936-L980 HydrophobicContact CD2-CD2 3.58Å; L936-L980 HydrophobicContact CG-CD2 4.2Å; L936-L981 HydrophobicContact CB-CD2 4.24Å; L936-L981 HydrophobicContact CD1-CD2 3.96Å; L936-F986 HydrophobicContact CD1-CD1 4.46Å
937	A	97.2	Very high	95.8	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-45.3	176.2	0	0	0	0	0	111.5	R933 E934 A939 V940 A941 M1223 I1224 L1227	R933-A937 PolarHBondContact O-N 3.19Å; R933-A937 VanDerWaalsContact O-N 3.17Å; E934-A937 PolarHBondContact O-N 3.49Å; E934-A937 VanDerWaalsContact O-N 3.11Å; A937-A939 VanDerWaalsContact C-N 3.32Å; A937-A939 PolarHBondContact O-N 2.84Å; A937-V940 PolarHBondContact O-N 2.98Å; A937-V940 VanDerWaalsContact O-N 3.11Å; A937-A941 PolarHBondContact O-N 2.84Å; A937-A941 VanDerWaalsContact O-N 3.1Å; A937-M1223 HydrophobicContact CB-CE 3.92Å; A937-I1224 HydrophobicContact CB-CD1 4.29Å; A937-I1224 WeakPolarHBondContact O-CD1 3.49Å; A937-L1227 HydrophobicContact CB-CD1 4.23Å
938	N	97.3	Very high	95.7	Very high	49 Å²	49	26.9 Å²	26.9	26%	0.262	16%	0.16	S	C	.	.	H	α-helix	trans	-62	-38.3	178.7	-66.1	-6.5	0	0	0	111.3	E934 V940 A941 D942	E934-N938 WeakPolarHBondContact O-CB 3.39Å; E934-N938 VanDerWaalsContact O-CG 3.22Å; E934-N938 PolarHBondContact O-N 3.13Å; E934-N938 PolarHBondContact O-OD1 3.39Å; E934-N938 PolarHBondContact OE1-ND2 3.12Å; N938-V940 PolarHBondContact O-N 3.47Å; N938-A941 PolarHBondContact O-N 3.36Å; N938-A941 VanDerWaalsContact O-N 3.17Å; N938-D942 VanDerWaalsContact O-CB 3.28Å; N938-D942 WeakPolarHBondContact O-CB 3.4Å; N938-D942 PolarHBondContact O-N 3.17Å
939	A	97.5	Very high	95.6	Very high	26 Å²	26	30.9 Å²	30.9	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-29.3	175.8	0	0	0	0	0	113.7	L916 A935 A937 A943	L916-A939 HydrophobicContact CD1-CB 4.06Å; L916-A939 HydrophobicContact CD2-CB 4.06Å; A935-A939 VanDerWaalsContact O-CB 3.29Å; A935-A939 WeakPolarHBondContact O-CB 3.4Å; A935-A939 PolarHBondContact O-N 3.26Å; A937-A939 VanDerWaalsContact C-N 3.32Å; A937-A939 PolarHBondContact O-N 2.84Å; A939-A943 WeakPolarHBondContact O-CB 3.35Å; A939-A943 PolarHBondContact O-N 2.76Å
940	V	97.6	Very high	95.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-77.5	-45.1	173	-178.7	0	0	0	0	110.7	A937 N938 A943 L944 P974 I977 I1224	A937-V940 PolarHBondContact O-N 2.98Å; A937-V940 VanDerWaalsContact O-N 3.11Å; N938-V940 PolarHBondContact O-N 3.47Å; V940-A943 PolarHBondContact O-N 2.82Å; V940-L944 HydrophobicContact CG1-CD1 4.06Å; V940-L944 WeakPolarHBondContact O-CG 3.23Å; V940-L944 PolarHBondContact O-N 3.06Å; V940-L944 VanDerWaalsContact O-N 3.14Å; V940-P974 HydrophobicContact CG1-CB 3.96Å; V940-P974 HydrophobicContact CG1-CG 3.78Å; V940-I977 HydrophobicContact CG2-CB 3.82Å; V940-I977 HydrophobicContact CG2-CG1 3.62Å; V940-I977 HydrophobicContact CG2-CG2 3.93Å; V940-I1224 HydrophobicContact CB-CD1 4.09Å; V940-I1224 HydrophobicContact CG1-CD1 4.29Å; V940-I1224 HydrophobicContact CG1-CG1 4.35Å; V940-I1224 HydrophobicContact CG1-CG2 4.1Å
941	A	96.6	Very high	95.1	Very high	3 Å²	3	32 Å²	32	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-47.8	178.6	0	0	0	0	0	111.9	A937 N938 A943 L944 S945 I1224 L1227 V1228	A937-A941 PolarHBondContact O-N 2.84Å; A937-A941 VanDerWaalsContact O-N 3.1Å; N938-A941 PolarHBondContact O-N 3.36Å; N938-A941 VanDerWaalsContact O-N 3.17Å; A941-A943 PolarHBondContact O-N 3.3Å; A941-L944 PolarHBondContact O-N 3.26Å; A941-S945 VanDerWaalsContact O-CB 3.28Å; A941-S945 WeakPolarHBondContact O-CB 3.38Å; A941-S945 PolarHBondContact O-N 3.27Å; A941-I1224 HydrophobicContact CB-CG2 4.48Å; A941-L1227 HydrophobicContact CB-CB 3.69Å; A941-V1228 HydrophobicContact CB-CG2 3.91Å; A941-V1228 WeakPolarHBondContact O-CG2 3.38Å
942	D	96.3	Very high	94.5	Very high	60 Å²	60	31.1 Å²	31.1	32%	0.321	20%	0.197	S	C	.	.	H	α-helix	trans	-56.5	-45.6	177.1	-93.2	11.6	0	0	0	112.4	R448 N938 A946	R448-D942 HydrophobicContact CB-CB 4.06Å; R448-D942 VanDerWaalsContact CD-CG 3.46Å; R448-D942 VanDerWaalsContact CD-OD2 3.27Å; R448-D942 WeakPolarHBondContact CD-OD2 3.43Å; R448-D942 IonicContact CZ-OD1 2.71Å; R448-D942 IonicContact CZ-OD2 3.92Å; R448-D942 IonicContact NE-OD2 3.72Å; R448-D942 IonicContact NH1-OD1 3.51Å; R448-D942 PolarHBondContact NH1-OD1 3.39Å; R448-D942 IonicContact NH1-OD2 3Å; R448-D942 PolarHBondContact NH1-OD2 3.02Å; N938-D942 VanDerWaalsContact O-CB 3.28Å; N938-D942 WeakPolarHBondContact O-CB 3.4Å; N938-D942 PolarHBondContact O-N 3.17Å; D942-A946 WeakPolarHBondContact O-CB 3.43Å; D942-A946 PolarHBondContact O-N 3.42Å
943	A	96.3	Very high	93.8	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-40.8	179.5	0	0	0	0	0	112.7	L449 A939 V940 A941 Y947	L449-A943 HydrophobicContact CD2-CB 3.63Å; A939-A943 WeakPolarHBondContact O-CB 3.35Å; A939-A943 PolarHBondContact O-N 2.76Å; V940-A943 PolarHBondContact O-N 2.82Å; A941-A943 PolarHBondContact O-N 3.3Å; A943-Y947 WeakPolarHBondContact O-CB 3.46Å; A943-Y947 PolarHBondContact O-N 2.97Å
944	L	95.2	Very high	92.5	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-74.3	-38	178.5	-63.9	178.1	0	0	0	112.1	L399 V940 A941 Y947 A948 L964 C966 I1224 V1228	L399-L944 HydrophobicContact CD1-CD1 4.04Å; L399-L944 HydrophobicContact CD1-CD2 4.5Å; V940-L944 HydrophobicContact CG1-CD1 4.06Å; V940-L944 WeakPolarHBondContact O-CG 3.23Å; V940-L944 PolarHBondContact O-N 3.06Å; V940-L944 VanDerWaalsContact O-N 3.14Å; A941-L944 PolarHBondContact O-N 3.26Å; L944-Y947 PolarHBondContact O-N 3.36Å; L944-A948 WeakPolarHBondContact O-CB 3.23Å; L944-A948 PolarHBondContact O-N 2.64Å; L944-L964 HydrophobicContact CD1-CD1 4.08Å; L944-L964 HydrophobicContact CD1-CD2 4.16Å; L944-L964 HydrophobicContact CD1-CG 4.16Å; L944-C966 HydrophobicContact CD2-CB 3.75Å; L944-I1224 HydrophobicContact CD1-CG2 3.89Å; L944-V1228 HydrophobicContact CB-CG2 4.29Å
945	S	93.9	Very high	91.2	Very high	38 Å²	38	33.5 Å²	33.5	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-43	174.7	-175.1	0	0	0	0	111.7	A941 A948 T949	A941-S945 VanDerWaalsContact O-CB 3.28Å; A941-S945 WeakPolarHBondContact O-CB 3.38Å; A941-S945 PolarHBondContact O-N 3.27Å; S945-A948 PolarHBondContact O-N 2.88Å; S945-T949 WeakPolarHBondContact O-CB 3.4Å; S945-T949 PolarHBondContact O-N 2.83Å; S945-T949 PolarHBondContact O-OG1 2.93Å
946	A	94.8	Very high	89.2	Confident	8 Å²	8	38 Å²	38	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-43.9	171.9	0	0	0	0	0	112	Q446 C447 R448 F904 D942 T949 T950	Q446-A946 WeakPolarHBondContact O-CB 3.41Å; C447-A946 WeakPolarHBondContact O-CB 3.15Å; R448-A946 HydrophobicContact CB-CB 4.15Å; R448-A946 HydrophobicContact CG-CB 4.19Å; F904-A946 HydrophobicContact CZ-CB 4.21Å; D942-A946 WeakPolarHBondContact O-CB 3.43Å; D942-A946 PolarHBondContact O-N 3.42Å; A946-T949 PolarHBondContact O-N 2.84Å; A946-T950 WeakPolarHBondContact O-CB 3.34Å; A946-T950 VanDerWaalsContact O-CG2 3.31Å; A946-T950 WeakPolarHBondContact O-CG2 3.16Å; A946-T950 PolarHBondContact O-N 2.99Å; A946-T950 PolarHBondContact O-OG1 2.68Å
947	Y	94.7	Very high	86.9	Confident	17 Å²	17	39.6 Å²	39.6	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-47.3	175.8	174.1	-110.8	0	0	0	112.6	P396 F904 A943 L944 T949 T950 S951 I953 C966 P967	P396-Y947 HydrophobicContact CB-CE1 4.14Å; P396-Y947 HydrophobicContact CG-CE1 4.44Å; P396-Y947 WeakPolarHBondContact CG-OH 3.49Å; F904-Y947 HydrophobicContact CB-CD2 4.35Å; F904-Y947 HydrophobicContact CD1-CD2 4.28Å; F904-Y947 AromaticContact CD2-CD2 3.85Å; F904-Y947 HydrophobicContact CD2-CD2 3.85Å; F904-Y947 HydrophobicContact CE2-CD2 4.22Å; F904-Y947 AromaticContact CG-CD2 3.91Å; F904-Y947 HydrophobicContact CG-CD2 3.91Å; A943-Y947 WeakPolarHBondContact O-CB 3.46Å; A943-Y947 PolarHBondContact O-N 2.97Å; L944-Y947 PolarHBondContact O-N 3.36Å; Y947-T949 PolarHBondContact O-N 3.12Å; Y947-T950 PolarHBondContact O-N 3.4Å; Y947-T950 PolarHBondContact O-OG1 2.81Å; Y947-S951 WeakPolarHBondContact CD2-OG 3.38Å; Y947-S951 WeakPolarHBondContact CE2-OG 3.34Å; Y947-S951 WeakPolarHBondContact O-CB 3.01Å; Y947-S951 PolarHBondContact O-N 3.3Å; Y947-S951 PolarHBondContact O-OG 2.82Å; Y947-I953 HydrophobicContact CE1-CD1 4.18Å; Y947-C966 VanDerWaalsContact CE1-C 3.49Å; Y947-P967 HydrophobicContact CD1-CB 4.47Å; Y947-P967 VanDerWaalsContact CD1-CD 3.47Å; Y947-P967 HydrophobicContact CD1-CG 4.26Å; Y947-P967 HydrophobicContact CD2-CB 3.82Å; Y947-P967 HydrophobicContact CD2-CG 3.87Å; Y947-P967 HydrophobicContact CE1-CB 4.25Å; Y947-P967 HydrophobicContact CE2-CB 3.6Å; Y947-P967 HydrophobicContact CE2-CG 4.17Å; Y947-P967 HydrophobicContact CG-CB 4.25Å; Y947-P967 HydrophobicContact CG-CG 3.91Å
948	A	91.1	Very high	84.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-48.3	178.3	0	0	0	0	0	111.3	L944 S945 S951 G952 I953 L955 P965	L944-A948 WeakPolarHBondContact O-CB 3.23Å; L944-A948 PolarHBondContact O-N 2.64Å; S945-A948 PolarHBondContact O-N 2.88Å; A948-S951 PolarHBondContact O-N 3.48Å; A948-G952 PolarHBondContact O-N 2.99Å; A948-I953 HydrophobicContact CB-CB 4.29Å; A948-I953 PolarHBondContact O-N 2.81Å; A948-L955 HydrophobicContact CB-CD1 3.84Å; A948-L955 HydrophobicContact CB-CD2 4.12Å; A948-L955 HydrophobicContact CB-CG 3.97Å; A948-P965 HydrophobicContact CB-CG 4.01Å
949	T	91.4	Very high	82.2	Confident	103 Å²	103	50.8 Å²	50.8	63%	0.632	32%	0.317	S	S	*	.	H	α-helix	trans	-60.7	-48	178.9	-56.9	0	0	0	0	112	S945 A946 Y947 S951 G952	S945-T949 WeakPolarHBondContact O-CB 3.4Å; S945-T949 PolarHBondContact O-N 2.83Å; S945-T949 PolarHBondContact O-OG1 2.93Å; A946-T949 PolarHBondContact O-N 2.84Å; Y947-T949 PolarHBondContact O-N 3.12Å; T949-S951 VanDerWaalsContact C-N 3.31Å; T949-S951 PolarHBondContact O-N 3.09Å; T949-G952 PolarHBondContact O-N 3.03Å
950	T	90.9	Very high	79.8	Confident	33 Å²	33	53 Å²	53	20%	0.202	33%	0.328	C	S	.	.	H	α-helix	trans	-72	-23.4	-179.3	52.8	0	0	0	0	113.7	Q446 A900 F904 A946 Y947	Q446-T950 HydrophobicContact CG-CG2 3.91Å; A900-T950 HydrophobicContact CB-CG2 3.74Å; F904-T950 WeakPolarHBondContact CE2-OG1 3.39Å; A946-T950 WeakPolarHBondContact O-CB 3.34Å; A946-T950 VanDerWaalsContact O-CG2 3.31Å; A946-T950 WeakPolarHBondContact O-CG2 3.16Å; A946-T950 PolarHBondContact O-N 2.99Å; A946-T950 PolarHBondContact O-OG1 2.68Å; Y947-T950 PolarHBondContact O-N 3.4Å; Y947-T950 PolarHBondContact O-OG1 2.81Å
951	S	86.5	Confident	77.5	Confident	47 Å²	47	56.2 Å²	56.2	33%	0.329	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.6	176	-54.2	0	0	0	0	113.8	Y947 A948 T949 I953	Y947-S951 WeakPolarHBondContact CD2-OG 3.38Å; Y947-S951 WeakPolarHBondContact CE2-OG 3.34Å; Y947-S951 WeakPolarHBondContact O-CB 3.01Å; Y947-S951 PolarHBondContact O-N 3.3Å; Y947-S951 PolarHBondContact O-OG 2.82Å; A948-S951 PolarHBondContact O-N 3.48Å; T949-S951 VanDerWaalsContact C-N 3.31Å; T949-S951 PolarHBondContact O-N 3.09Å; S951-I953 VanDerWaalsContact C-N 3.29Å; S951-I953 PolarHBondContact O-N 2.93Å
952	G	83.3	Confident	75.5	Confident	63 Å²	63	65.1 Å²	65.1	65%	0.649	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	21.5	-177.7	0	0	0	0	0	114.5	A948 T949 T954	A948-G952 PolarHBondContact O-N 2.99Å; T949-G952 PolarHBondContact O-N 3.03Å; G952-T954 PolarHBondContact O-N 2.94Å
953	I	81.1	Confident	74.4	Confident	51 Å²	51	63.4 Å²	63.4	26%	0.262	39%	0.385	S	S	.	.			trans	-87.1	101	-177.8	-56.3	170.5	0	0	0	108.9	P396 Y947 A948 S951 L955 P965	P396-I953 HydrophobicContact CB-CD1 4.09Å; P396-I953 HydrophobicContact CG-CD1 3.64Å; Y947-I953 HydrophobicContact CE1-CD1 4.18Å; A948-I953 HydrophobicContact CB-CB 4.29Å; A948-I953 PolarHBondContact O-N 2.81Å; S951-I953 VanDerWaalsContact C-N 3.29Å; S951-I953 PolarHBondContact O-N 2.93Å; I953-L955 PolarHBondContact O-N 2.84Å; I953-L955 VanDerWaalsContact O-N 3.11Å; I953-P965 HydrophobicContact CD1-CB 4.01Å; I953-P965 HydrophobicContact CG2-CB 4.34Å; I953-P965 HydrophobicContact CG2-CG 4.09Å
954	T	70.2	Confident	74	Confident	97 Å²	97	63.4 Å²	63.4	60%	0.595	38%	0.384	S	S	*	.			trans	-64.7	108.5	178.3	-54.8	0	0	0	0	111.6	G952 N956	G952-T954 PolarHBondContact O-N 2.94Å; T954-N956 VanDerWaalsContact C-N 3.34Å
955	L	68.1	Low	73.7	Confident	47 Å²	47	64 Å²	64	25%	0.246	39%	0.389	C	S	.	.			trans	-74.4	-23.2	175.3	-67	164.6	0	0	0	113.3	A948 I953 S957 P965 V1228	A948-L955 HydrophobicContact CB-CD1 3.84Å; A948-L955 HydrophobicContact CB-CD2 4.12Å; A948-L955 HydrophobicContact CB-CG 3.97Å; I953-L955 PolarHBondContact O-N 2.84Å; I953-L955 VanDerWaalsContact O-N 3.11Å; L955-S957 PolarHBondContact O-N 2.84Å; L955-P965 HydrophobicContact CD2-CG 4.06Å; L955-V1228 HydrophobicContact CD1-CG1 3.64Å; L955-V1228 HydrophobicContact CD2-CG1 4.17Å
956	N	55.2	Low	73.6	Confident	138 Å²	138	62.2 Å²	62.2	74%	0.738	38%	0.376	S	S	*	.			trans	-95.6	63.9	-173.2	-77.6	-9.5	0	0	0	113.1	T954	T954-N956 VanDerWaalsContact C-N 3.34Å
957	S	50.2	Low	73.5	Confident	39 Å²	39	62 Å²	62	27%	0.273	37%	0.374	S	S	.	.			trans	-141.6	142.3	159.8	85.4	0	0	0	0	113.1	L955 S959 T960	L955-S957 PolarHBondContact O-N 2.84Å; S957-S959 WeakPolarHBondContact CB-OG 3.46Å; S957-S959 PolarHBondContact O-N 2.74Å; S957-S959 PolarHBondContact OG-N 2.79Å; S957-S959 PolarHBondContact OG-OG 2.64Å; S957-T960 PolarHBondContact O-OG1 2.95Å; S957-T960 PolarHBondContact OG-N 2.86Å
958	N	50.7	Low	73.3	Confident	188 Å²	188	62.4 Å²	62.4	100%	1.005	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	13.7	168.1	-66.5	-17.8	0	0	0	112.7
959	S	45.3	Very low	73.4	Confident	103 Å²	103	65.1 Å²	65.1	72%	0.72	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-14.8	-177	60.6	0	0	0	0	114.3	S957 A961	S957-S959 WeakPolarHBondContact CB-OG 3.46Å; S957-S959 PolarHBondContact O-N 2.74Å; S957-S959 PolarHBondContact OG-N 2.79Å; S957-S959 PolarHBondContact OG-OG 2.64Å; S959-A961 PolarHBondContact O-N 2.9Å
960	T	47.5	Very low	73.6	Confident	73 Å²	73	60.3 Å²	60.3	45%	0.448	36%	0.364	S	S	.	.	S	Bend	trans	-76.4	108.4	163.4	53.4	0	0	0	0	109.2	S957 Y962	S957-T960 PolarHBondContact O-OG1 2.95Å; S957-T960 PolarHBondContact OG-N 2.86Å; T960-Y962 PolarHBondContact O-N 2.79Å
961	A	49	Very low	73.7	Confident	68 Å²	68	61.9 Å²	61.9	56%	0.562	37%	0.366	S	S	*	.			trans	-67.4	90.7	-174.2	0	0	0	0	0	112.9	Q401 S959 G963	Q401-A961 PolarHBondContact NE2-O 2.82Å; S959-A961 PolarHBondContact O-N 2.9Å; A961-G963 PolarHBondContact O-N 3.36Å
962	Y	54.1	Low	74.1	Confident	190 Å²	190	59.7 Å²	59.7	75%	0.745	35%	0.35	S	S	*	.	S	Bend	trans	56.7	42.9	167.8	-51.6	-81.5	0	0	0	114.6	T960	T960-Y962 PolarHBondContact O-N 2.79Å
963	G	73.1	Confident	74.8	Confident	24 Å²	24	56.9 Å²	56.9	25%	0.247	32%	0.32	C	S	.	.			trans	-87.8	140.4	-176.3	0	0	0	0	0	115.7	N398 A961 Q1225	N398-G963 WeakPolarHBondContact OD1-CA 3.13Å; A961-G963 PolarHBondContact O-N 3.36Å; G963-Q1225 PolarHBondContact O-NE2 3.34Å
964	L	87.1	Confident	75.5	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.308	C	S	.	.			trans	-125.7	96.8	157.2	179.6	59.8	0	0	0	108.3	N398 L399 L400 L944 L1221 I1224 Q1225 V1228	N398-L964 PolarHBondContact OD1-N 2.89Å; L399-L964 HydrophobicContact CB-CB 4.46Å; L399-L964 HydrophobicContact CB-CD2 4.38Å; L399-L964 HydrophobicContact CB-CG 4.49Å; L399-L964 HydrophobicContact CD1-CD2 4.15Å; L399-L964 HydrophobicContact CD1-CG 4.29Å; L399-L964 PolarHBondContact N-O 2.84Å; L400-L964 HydrophobicContact CD1-CB 3.87Å; L400-L964 HydrophobicContact CG-CB 3.95Å; L944-L964 HydrophobicContact CD1-CD1 4.08Å; L944-L964 HydrophobicContact CD1-CD2 4.16Å; L944-L964 HydrophobicContact CD1-CG 4.16Å; L964-L1221 HydrophobicContact CD2-CB 4.48Å; L964-L1221 HydrophobicContact CD2-CD2 4.11Å; L964-I1224 HydrophobicContact CD2-CB 4.49Å; L964-I1224 HydrophobicContact CD2-CG2 4.13Å; L964-Q1225 HydrophobicContact CD1-CB 4.41Å; L964-Q1225 HydrophobicContact CD2-CB 4.47Å; L964-V1228 HydrophobicContact CD1-CG1 4.49Å; L964-V1228 HydrophobicContact CD1-CG2 4.33Å
965	P	89.4	Confident	76.7	Confident	17 Å²	17	49.9 Å²	49.9	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.5	-173	30.8	-35.6	0	0	0	112.1	P396 I397 A948 I953 L955	P396-P965 HydrophobicContact CB-CB 4.35Å; I397-P965 CarbonylContact O-C 3.57Å; I397-P965 WeakPolarHBondContact O-CA 3.45Å; A948-P965 HydrophobicContact CB-CG 4.01Å; I953-P965 HydrophobicContact CD1-CB 4.01Å; I953-P965 HydrophobicContact CG2-CB 4.34Å; I953-P965 HydrophobicContact CG2-CG 4.09Å; L955-P965 HydrophobicContact CD2-CG 4.06Å
966	C	92.1	Very high	78.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140	-178	-177.9	0	0	0	0	110.9	I397 L399 L944 Y947 L970	I397-C966 PolarHBondContact N-O 3.07Å; I397-C966 PolarHBondContact O-N 3.32Å; L399-C966 HydrophobicContact CD1-CB 3.61Å; L399-C966 HydrophobicContact CD2-CB 3.91Å; L399-C966 HydrophobicContact CG-CB 3.57Å; L944-C966 HydrophobicContact CD2-CB 3.75Å; Y947-C966 VanDerWaalsContact CE1-C 3.49Å; C966-L970 VanDerWaalsContact SG-C 3.59Å
967	P	92.5	Very high	80.2	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.026	24%	0.238	C	C	.	.			trans	-71	143.7	172.1	26.7	-26.7	0	0	0	109.8	F904 Y947 N969 L970	F904-P967 HydrophobicContact CB-CB 4.2Å; F904-P967 HydrophobicContact CB-CG 4.36Å; F904-P967 HydrophobicContact CD1-CG 3.91Å; F904-P967 HydrophobicContact CG-CG 4.39Å; Y947-P967 HydrophobicContact CD1-CB 4.47Å; Y947-P967 VanDerWaalsContact CD1-CD 3.47Å; Y947-P967 HydrophobicContact CD1-CG 4.26Å; Y947-P967 HydrophobicContact CD2-CB 3.82Å; Y947-P967 HydrophobicContact CD2-CG 3.87Å; Y947-P967 HydrophobicContact CE1-CB 4.25Å; Y947-P967 HydrophobicContact CE2-CB 3.6Å; Y947-P967 HydrophobicContact CE2-CG 4.17Å; Y947-P967 HydrophobicContact CG-CB 4.25Å; Y947-P967 HydrophobicContact CG-CG 3.91Å; P967-N969 PolarHBondContact O-N 3.03Å; P967-L970 HydrophobicContact CG-CB 3.94Å; P967-L970 HydrophobicContact CG-CD1 3.72Å; P967-L970 HydrophobicContact CG-CG 3.86Å; P967-L970 PolarHBondContact O-N 3.41Å
968	P	90	Very high	82.4	Confident	24 Å²	24	40.6 Å²	40.6	16%	0.156	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-50.3	-34.7	-175.8	-31.9	36.2	0	0	0	115.6	I397 L970 R971	I397-P968 HydrophobicContact CD1-CB 4.29Å; P968-L970 VanDerWaalsContact C-N 3.31Å; P968-L970 PolarHBondContact O-N 3.09Å; P968-R971 WeakPolarHBondContact O-CB 3.5Å; P968-R971 WeakPolarHBondContact O-CD 3.29Å; P968-R971 WeakPolarHBondContact O-CG 3.2Å; P968-R971 PolarHBondContact O-N 2.94Å
969	N	93.2	Very high	84.6	Confident	58 Å²	58	31.7 Å²	31.7	31%	0.31	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-83.5	-0.1	-177.4	-64.7	-1.4	0	0	0	114.5	Q905 A907 Q909 P967	Q905-N969 PolarHBondContact O-ND2 3.27Å; A907-N969 WeakPolarHBondContact O-CB 3.27Å; Q909-N969 VanDerWaalsContact CB-O 3.31Å; Q909-N969 WeakPolarHBondContact CB-O 3.45Å; Q909-N969 WeakPolarHBondContact CG-O 3.34Å; Q909-N969 PolarHBondContact OE1-O 2.78Å; P967-N969 PolarHBondContact O-N 3.03Å
970	L	95.1	Very high	87	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-113.9	7.4	169.8	-62.2	-177.4	0	0	0	113.2	L449 F904 A907 Q909 I912 C966 P967 P968 L972 L973 P974	L449-L970 HydrophobicContact CD1-CD1 4.48Å; L449-L970 HydrophobicContact CD2-CD1 3.92Å; F904-L970 HydrophobicContact CD1-CD1 4.06Å; F904-L970 HydrophobicContact CE1-CD1 4.23Å; A907-L970 HydrophobicContact CB-CD2 3.78Å; A907-L970 HydrophobicContact CB-CG 4.22Å; Q909-L970 HydrophobicContact CB-CD2 4.27Å; I912-L970 HydrophobicContact CD1-CD2 3.79Å; C966-L970 VanDerWaalsContact SG-C 3.59Å; P967-L970 HydrophobicContact CG-CB 3.94Å; P967-L970 HydrophobicContact CG-CD1 3.72Å; P967-L970 HydrophobicContact CG-CG 3.86Å; P967-L970 PolarHBondContact O-N 3.41Å; P968-L970 VanDerWaalsContact C-N 3.31Å; P968-L970 PolarHBondContact O-N 3.09Å; L970-L972 PolarHBondContact O-N 2.77Å; L970-L972 VanDerWaalsContact O-N 3.11Å; L970-L973 HydrophobicContact CB-CB 4.35Å; L970-L973 HydrophobicContact CD2-CB 4.4Å; L970-L973 HydrophobicContact CD2-CD2 4.01Å; L970-L973 WeakPolarHBondContact O-CB 3.45Å; L970-L973 PolarHBondContact O-N 3.46Å; L970-P974 WeakPolarHBondContact O-CD 3.21Å
971	R	94.3	Very high	89.4	Confident	66 Å²	66	24.1 Å²	24.1	25%	0.249	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.8	-175	74.2	-172.5	171.3	-149.1	-9.7	114.5	I397 L405 D412 Q909 P968	I397-R971 HydrophobicContact CD1-CB 3.95Å; L405-R971 HydrophobicContact CD2-CB 4.36Å; L405-R971 WeakPolarHBondContact O-CD 3.32Å; L405-R971 PolarHBondContact O-NE 2.65Å; D412-R971 IonicContact OD1-CZ 2.68Å; D412-R971 IonicContact OD1-NE 3.89Å; D412-R971 IonicContact OD1-NH2 3.91Å; D412-R971 PolarHBondContact OD1-NH2 2.72Å; Q909-R971 VanDerWaalsContact OE1-N 3.14Å; P968-R971 WeakPolarHBondContact O-CB 3.5Å; P968-R971 WeakPolarHBondContact O-CD 3.29Å; P968-R971 WeakPolarHBondContact O-CG 3.2Å; P968-R971 PolarHBondContact O-N 2.94Å
972	L	95.2	Very high	91.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-9.5	177.6	-54	-177	0	0	0	113.2	L405 L406 D412 L970 L975 Y976	L405-L972 HydrophobicContact CB-CD2 3.79Å; L406-L972 HydrophobicContact CD2-CD1 4.04Å; L406-L972 HydrophobicContact CD2-CD2 3.98Å; D412-L972 HydrophobicContact CB-CD1 4.04Å; L970-L972 PolarHBondContact O-N 2.77Å; L970-L972 VanDerWaalsContact O-N 3.11Å; L972-L975 HydrophobicContact CD2-CD2 4.04Å; L972-L975 WeakPolarHBondContact O-CA 3.41Å; L972-L975 WeakPolarHBondContact O-CB 3.27Å; L972-L975 PolarHBondContact O-N 3.07Å; L972-Y976 HydrophobicContact CB-CD2 4.08Å; L972-Y976 HydrophobicContact CB-CE2 3.67Å; L972-Y976 HydrophobicContact CD1-CE2 4.44Å; L972-Y976 VanDerWaalsContact O-CD2 3.3Å; L972-Y976 WeakPolarHBondContact O-CD2 3.2Å; L972-Y976 PolarHBondContact O-N 3.2Å
973	L	96.9	Very high	93.4	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-59	-47.9	179.9	177.8	63.3	0	0	0	112.2	Q909 I912 A913 L916 L970 L975 Y976 I977	Q909-L973 HydrophobicContact CB-CB 4.17Å; I912-L973 HydrophobicContact CB-CD1 4.42Å; I912-L973 HydrophobicContact CG2-CD1 3.81Å; I912-L973 HydrophobicContact CG2-CD2 3.93Å; A913-L973 HydrophobicContact CB-CD1 4.17Å; L916-L973 HydrophobicContact CD1-CD1 4.48Å; L970-L973 HydrophobicContact CB-CB 4.35Å; L970-L973 HydrophobicContact CD2-CB 4.4Å; L970-L973 HydrophobicContact CD2-CD2 4.01Å; L970-L973 WeakPolarHBondContact O-CB 3.45Å; L970-L973 PolarHBondContact O-N 3.46Å; L973-L975 PolarHBondContact O-N 3.36Å; L973-Y976 PolarHBondContact O-N 3.01Å; L973-I977 HydrophobicContact CD1-CD1 4.33Å; L973-I977 HydrophobicContact CD1-CG1 4.01Å; L973-I977 WeakPolarHBondContact O-CG1 3.42Å; L973-I977 PolarHBondContact O-N 2.97Å
974	P	96.9	Very high	94.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-58.9	-32.9	173.9	-21.5	31.5	0	0	0	112.9	L399 V940 L970 C978 Y1217 F1220 L1221	L399-P974 HydrophobicContact CD1-CG 3.81Å; V940-P974 HydrophobicContact CG1-CB 3.96Å; V940-P974 HydrophobicContact CG1-CG 3.78Å; L970-P974 WeakPolarHBondContact O-CD 3.21Å; P974-C978 VanDerWaalsContact O-CB 3.3Å; P974-C978 WeakPolarHBondContact O-CB 3.3Å; P974-C978 PolarHBondContact O-N 3.01Å; P974-Y1217 HydrophobicContact CB-CE2 4.17Å; P974-F1220 HydrophobicContact CB-CE1 4.28Å; P974-F1220 VanDerWaalsContact O-CE1 3.27Å; P974-F1220 WeakPolarHBondContact O-CE1 3.35Å; P974-L1221 HydrophobicContact CB-CD2 3.88Å; P974-L1221 HydrophobicContact CG-CD2 4.46Å
975	L	95.4	Very high	94.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-73.6	-44	-178.5	-173	62.4	0	0	0	111.6	L972 L973 I977 C978 G979 Y1017 E1208 Y1217	L972-L975 HydrophobicContact CD2-CD2 4.04Å; L972-L975 WeakPolarHBondContact O-CA 3.41Å; L972-L975 WeakPolarHBondContact O-CB 3.27Å; L972-L975 PolarHBondContact O-N 3.07Å; L973-L975 PolarHBondContact O-N 3.36Å; L975-I977 VanDerWaalsContact C-N 3.34Å; L975-I977 PolarHBondContact O-N 3.25Å; L975-C978 PolarHBondContact O-N 3.22Å; L975-G979 PolarHBondContact O-N 3.39Å; L975-Y1017 HydrophobicContact CD1-CD2 4.41Å; L975-Y1017 HydrophobicContact CD1-CE2 3.77Å; L975-Y1017 HydrophobicContact CD2-CD2 4.35Å; L975-Y1017 HydrophobicContact CD2-CE1 4.46Å; L975-Y1017 HydrophobicContact CD2-CE2 3.61Å; L975-Y1017 HydrophobicContact CG-CD2 3.9Å; L975-Y1017 HydrophobicContact CG-CE2 3.48Å; L975-Y1017 VanDerWaalsContact CG-CE2 3.48Å; L975-E1208 HydrophobicContact CD1-CG 3.58Å; L975-Y1217 HydrophobicContact CB-CE2 3.86Å; L975-Y1217 HydrophobicContact CD1-CD1 4.12Å; L975-Y1217 HydrophobicContact CD1-CD2 3.64Å; L975-Y1217 HydrophobicContact CD1-CE1 4.21Å; L975-Y1217 HydrophobicContact CD1-CE2 3.74Å; L975-Y1217 HydrophobicContact CD1-CG 3.84Å; L975-Y1217 HydrophobicContact CG-CE2 4.42Å
976	Y	97.6	Very high	95.1	Very high	23 Å²	23	16.8 Å²	16.8	9%	0.09	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-40.9	171.7	-67.8	-42.6	0	0	0	112.2	Q909 A913 L972 L973 G979 L980 L1013 I1016 Y1017	Q909-Y976 HydrophobicContact CG-CE2 4.29Å; A913-Y976 HydrophobicContact CB-CD2 3.99Å; A913-Y976 HydrophobicContact CB-CG 4.14Å; L972-Y976 HydrophobicContact CB-CD2 4.08Å; L972-Y976 HydrophobicContact CB-CE2 3.67Å; L972-Y976 HydrophobicContact CD1-CE2 4.44Å; L972-Y976 VanDerWaalsContact O-CD2 3.3Å; L972-Y976 WeakPolarHBondContact O-CD2 3.2Å; L972-Y976 PolarHBondContact O-N 3.2Å; L973-Y976 PolarHBondContact O-N 3.01Å; Y976-G979 PolarHBondContact O-N 3.08Å; Y976-L980 VanDerWaalsContact O-CB 3.29Å; Y976-L980 WeakPolarHBondContact O-CB 3.47Å; Y976-L980 PolarHBondContact O-N 2.86Å; Y976-L1013 HydrophobicContact CD1-CD2 4.29Å; Y976-L1013 HydrophobicContact CD2-CD2 4.3Å; Y976-L1013 HydrophobicContact CE1-CD2 4.24Å; Y976-L1013 HydrophobicContact CE2-CD2 4.23Å; Y976-L1013 HydrophobicContact CG-CD2 4.35Å; Y976-I1016 HydrophobicContact CD1-CD1 4.47Å; Y976-I1016 HydrophobicContact CG-CD1 4.47Å; Y976-Y1017 HydrophobicContact CD1-CG 4.27Å; Y976-Y1017 HydrophobicContact CE1-CD1 4.39Å; Y976-Y1017 HydrophobicContact CE1-CG 4.34Å
977	I	98	Very high	95.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-71	-36.3	177.1	-61.3	-50.1	0	0	0	111.7	L916 L936 V940 L973 L975 G979 L980 L981 F1220	L916-I977 HydrophobicContact CB-CD1 4.48Å; L916-I977 HydrophobicContact CD1-CD1 4.24Å; L936-I977 HydrophobicContact CB-CG2 4.06Å; L936-I977 HydrophobicContact CD2-CD1 4.25Å; V940-I977 HydrophobicContact CG2-CB 3.82Å; V940-I977 HydrophobicContact CG2-CG1 3.62Å; V940-I977 HydrophobicContact CG2-CG2 3.93Å; L973-I977 HydrophobicContact CD1-CD1 4.33Å; L973-I977 HydrophobicContact CD1-CG1 4.01Å; L973-I977 WeakPolarHBondContact O-CG1 3.42Å; L973-I977 PolarHBondContact O-N 2.97Å; L975-I977 VanDerWaalsContact C-N 3.34Å; L975-I977 PolarHBondContact O-N 3.25Å; I977-G979 PolarHBondContact O-N 3.15Å; I977-L980 HydrophobicContact CD1-CD2 3.86Å; I977-L980 PolarHBondContact O-N 3.42Å; I977-L981 HydrophobicContact CG2-CD1 4.03Å; I977-L981 HydrophobicContact CG2-CG 4.36Å; I977-L981 WeakPolarHBondContact O-CB 3.39Å; I977-L981 VanDerWaalsContact O-CG 3.26Å; I977-L981 WeakPolarHBondContact O-CG 3.31Å; I977-L981 PolarHBondContact O-N 3.15Å; I977-F1220 HydrophobicContact CG2-CZ 4.21Å
978	C	96.6	Very high	95.1	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.034	9%	0.092	C	C	.	.	H	α-helix	trans	-60.7	-44.2	172.6	-166.5	0	0	0	0	111.7	P974 L975 L981 R982 Y1217 F1220	P974-C978 VanDerWaalsContact O-CB 3.3Å; P974-C978 WeakPolarHBondContact O-CB 3.3Å; P974-C978 PolarHBondContact O-N 3.01Å; L975-C978 PolarHBondContact O-N 3.22Å; C978-L981 PolarHBondContact O-N 3.44Å; C978-R982 WeakPolarHBondContact O-CG 3.37Å; C978-R982 PolarHBondContact O-N 3.5Å; C978-Y1217 HydrophobicContact CB-CD2 4.09Å; C978-F1220 HydrophobicContact CB-CD1 3.81Å; C978-F1220 HydrophobicContact CB-CE1 4.02Å; C978-F1220 HydrophobicContact CB-CG 4.21Å
979	G	96.2	Very high	94.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-65.2	-43.9	173.9	0	0	0	0	0	113.6	L975 Y976 I977 L981 R982 F983 I1016	L975-G979 PolarHBondContact O-N 3.39Å; Y976-G979 PolarHBondContact O-N 3.08Å; I977-G979 PolarHBondContact O-N 3.15Å; G979-L981 VanDerWaalsContact C-N 3.32Å; G979-L981 PolarHBondContact O-N 3.19Å; G979-R982 CarbonylContact O-C 3.49Å; G979-R982 WeakPolarHBondContact O-CA 3.5Å; G979-R982 WeakPolarHBondContact O-CB 3.29Å; G979-R982 PolarHBondContact O-N 3.38Å; G979-F983 PolarHBondContact O-N 3.18Å; G979-I1016 CarbonylContact C-O 3.59Å; G979-I1016 VanDerWaalsContact CA-O 3.22Å; G979-I1016 WeakPolarHBondContact CA-O 3.44Å
980	L	97.5	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.8	-42.7	174	175.8	66.5	0	0	0	112.1	S917 L936 Y976 I977 R982 F983 F986 I1004 I1016	S917-L980 WeakPolarHBondContact OG-CD2 3.47Å; L936-L980 HydrophobicContact CD1-CD2 3.57Å; L936-L980 HydrophobicContact CD1-CG 3.99Å; L936-L980 HydrophobicContact CD2-CD2 3.58Å; L936-L980 HydrophobicContact CG-CD2 4.2Å; Y976-L980 VanDerWaalsContact O-CB 3.29Å; Y976-L980 WeakPolarHBondContact O-CB 3.47Å; Y976-L980 PolarHBondContact O-N 2.86Å; I977-L980 HydrophobicContact CD1-CD2 3.86Å; I977-L980 PolarHBondContact O-N 3.42Å; L980-R982 PolarHBondContact O-N 3.4Å; L980-F983 WeakPolarHBondContact O-CB 3.4Å; L980-F983 PolarHBondContact O-N 3.41Å; L980-F986 HydrophobicContact CD1-CD2 3.62Å; L980-F986 HydrophobicContact CD1-CE2 3.55Å; L980-F986 HydrophobicContact CG-CD2 4.05Å; L980-F986 HydrophobicContact CG-CE2 4.27Å; L980-I1004 HydrophobicContact CD1-CD1 4.06Å; L980-I1016 HydrophobicContact CB-CB 4.22Å; L980-I1016 HydrophobicContact CB-CG2 4.15Å; L980-I1016 HydrophobicContact CD1-CG2 3.74Å
981	L	96.4	Very high	94.4	Very high	17 Å²	17	25.7 Å²	25.7	9%	0.089	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.3	176.7	-71.8	169.9	0	0	0	114.1	R933 L936 I977 C978 G979 F1220	R933-L981 HydrophobicContact CB-CD2 3.89Å; R933-L981 HydrophobicContact CG-CD2 3.83Å; R933-L981 PolarHBondContact NH1-O 2.94Å; L936-L981 HydrophobicContact CB-CD2 4.24Å; L936-L981 HydrophobicContact CD1-CD2 3.96Å; I977-L981 HydrophobicContact CG2-CD1 4.03Å; I977-L981 HydrophobicContact CG2-CG 4.36Å; I977-L981 WeakPolarHBondContact O-CB 3.39Å; I977-L981 VanDerWaalsContact O-CG 3.26Å; I977-L981 WeakPolarHBondContact O-CG 3.31Å; I977-L981 PolarHBondContact O-N 3.15Å; C978-L981 PolarHBondContact O-N 3.44Å; G979-L981 VanDerWaalsContact C-N 3.32Å; G979-L981 PolarHBondContact O-N 3.19Å; L981-F1220 HydrophobicContact CD1-CD2 4.49Å; L981-F1220 HydrophobicContact CD1-CE2 3.65Å; L981-F1220 HydrophobicContact CD1-CZ 4.21Å
982	R	94	Very high	94.3	Very high	36 Å²	36	22.7 Å²	22.7	14%	0.136	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-15.5	173.9	-67.7	169.3	172.7	-129.6	4.8	113.7	C978 G979 L980 R987 M1206 V1207 D1209 A1214 P1215	C978-R982 WeakPolarHBondContact O-CG 3.37Å; C978-R982 PolarHBondContact O-N 3.5Å; G979-R982 CarbonylContact O-C 3.49Å; G979-R982 WeakPolarHBondContact O-CA 3.5Å; G979-R982 WeakPolarHBondContact O-CB 3.29Å; G979-R982 PolarHBondContact O-N 3.38Å; L980-R982 PolarHBondContact O-N 3.4Å; R982-R987 WeakPolarHBondContact O-CB 3.44Å; R982-M1206 PolarHBondContact NH1-O 2.71Å; R982-V1207 WeakPolarHBondContact CD-O 3.34Å; R982-V1207 PolarHBondContact NE-O 3.5Å; R982-V1207 VanDerWaalsContact NE-O 3.1Å; R982-V1207 PolarHBondContact NH1-O 2.79Å; R982-V1207 PolarHBondContact NH2-O 3.36Å; R982-D1209 PolarHBondContact NH1-O 3.02Å; R982-D1209 PolarHBondContact NH2-O 2.88Å; R982-A1214 HydrophobicContact CG-CB 4.2Å; R982-P1215 PolarHBondContact NH2-O 3.31Å
983	F	94.9	Very high	94.2	Very high	25 Å²	25	25.7 Å²	25.7	11%	0.11	14%	0.138	C	C	.	.	S	Bend	trans	-62.8	151.9	176.6	-173.9	-104.3	0	0	0	111.5	G979 L980 A985 F986 R987 A1000 I1004 L1015	G979-F983 PolarHBondContact O-N 3.18Å; L980-F983 WeakPolarHBondContact O-CB 3.4Å; L980-F983 PolarHBondContact O-N 3.41Å; F983-A985 HydrophobicContact CD1-CB 3.87Å; F983-A985 HydrophobicContact CE1-CB 4.25Å; F983-A985 PolarHBondContact O-N 2.89Å; F983-F986 PolarHBondContact O-N 2.9Å; F983-R987 PolarHBondContact O-N 2.77Å; F983-A1000 HydrophobicContact CE1-CB 3.81Å; F983-A1000 HydrophobicContact CZ-CB 4.41Å; F983-I1004 HydrophobicContact CD1-CD1 3.63Å; F983-I1004 HydrophobicContact CD1-CG1 4.3Å; F983-I1004 HydrophobicContact CE1-CD1 3.72Å; F983-I1004 HydrophobicContact CE1-CG1 3.88Å; F983-L1015 VanDerWaalsContact CD2-O 3.23Å; F983-L1015 WeakPolarHBondContact CD2-O 3.04Å; F983-L1015 HydrophobicContact CE2-CB 3.96Å; F983-L1015 HydrophobicContact CE2-CD2 4.5Å; F983-L1015 HydrophobicContact CZ-CB 4.37Å
984	K	93.7	Very high	94.1	Very high	85 Å²	85	25.7 Å²	25.7	37%	0.37	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-40.1	-173.8	-72	178.3	-177.9	170.9	0	113.7	R997 A1000	K984-R997 PolarHBondContact O-NH1 2.8Å; K984-A1000 HydrophobicContact CB-CB 3.61Å
985	A	95.5	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-46.6	178	0	0	0	0	0	113.4	F983 R997 A1000 L1001 I1004	F983-A985 HydrophobicContact CD1-CB 3.87Å; F983-A985 HydrophobicContact CE1-CB 4.25Å; F983-A985 PolarHBondContact O-N 2.89Å; A985-R997 WeakPolarHBondContact O-CG 3.34Å; A985-R997 PolarHBondContact O-NH1 3.26Å; A985-A1000 HydrophobicContact CB-CB 3.98Å; A985-L1001 HydrophobicContact CB-CD2 3.79Å; A985-L1001 HydrophobicContact CB-CG 4.17Å; A985-I1004 HydrophobicContact CB-CD1 4.11Å
986	F	95.5	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-9.7	-168	-58.4	-77.3	0	0	0	115.1	A920 V921 T924 L929 A932 R933 L936 L980 F983 L1001 I1004	A920-F986 HydrophobicContact CB-CE1 3.68Å; A920-F986 HydrophobicContact CB-CZ 3.61Å; V921-F986 HydrophobicContact CG2-CZ 4Å; T924-F986 WeakPolarHBondContact OG1-CE1 3.46Å; L929-F986 HydrophobicContact CD1-CB 4.34Å; L929-F986 HydrophobicContact CD1-CD1 4.02Å; A932-F986 HydrophobicContact CB-CE1 4.24Å; R933-F986 WeakPolarHBondContact CD-O 3.22Å; R933-F986 PolarHBondContact NH1-O 3.41Å; L936-F986 HydrophobicContact CD1-CD1 4.46Å; L980-F986 HydrophobicContact CD1-CD2 3.62Å; L980-F986 HydrophobicContact CD1-CE2 3.55Å; L980-F986 HydrophobicContact CG-CD2 4.05Å; L980-F986 HydrophobicContact CG-CE2 4.27Å; F983-F986 PolarHBondContact O-N 2.9Å; F986-L1001 HydrophobicContact CE1-CD2 4.46Å; F986-L1001 HydrophobicContact CZ-CD2 4.29Å; F986-I1004 HydrophobicContact CD2-CD1 4.34Å; F986-I1004 HydrophobicContact CE2-CD1 3.67Å
987	R	92.7	Very high	94	Very high	54 Å²	54	25.9 Å²	25.9	20%	0.204	14%	0.14	C	C	.	.			trans	-62.6	148.2	179.8	73.1	-176.4	-168.2	175.1	9.5	112.9	R982 F983 T991 T992 R997	R982-R987 WeakPolarHBondContact O-CB 3.44Å; F983-R987 PolarHBondContact O-N 2.77Å; R987-T991 PolarHBondContact NH2-O 3.46Å; R987-T992 VanDerWaalsContact CZ-OG1 3.3Å; R987-T992 PolarHBondContact NE-OG1 2.71Å; R987-T992 PolarHBondContact NH2-OG1 3.23Å; R987-R997 VanDerWaalsContact O-CZ 3.29Å; R987-R997 PolarHBondContact O-NH1 2.89Å; R987-R997 PolarHBondContact O-NH2 2.57Å
988	V	90.7	Very high	93.9	Very high	20 Å²	20	26.1 Å²	26.1	12%	0.121	14%	0.142	C	C	.	.			trans	-131.3	163.6	176.9	-66.7	0	0	0	0	109.5	V704 L929 V990	V704-V988 HydrophobicContact CB-CG1 4.37Å; V704-V988 HydrophobicContact CG1-CG1 4.36Å; V704-V988 HydrophobicContact CG2-CB 4.07Å; V704-V988 HydrophobicContact CG2-CG1 4.1Å; V704-V988 HydrophobicContact CG2-CG2 4.38Å; L929-V988 HydrophobicContact CD2-CG1 3.75Å; L929-V988 HydrophobicContact CG-CG1 4.39Å; V988-V990 PolarHBondContact O-N 2.97Å
989	G	85.9	Confident	93.9	Very high	51 Å²	51	26.4 Å²	26.4	53%	0.526	14%	0.144	S	C	.	.	S	Bend	trans	69.5	-8.6	-179.2	0	0	0	0	0	115.6	S702	S702-G989 PolarHBondContact O-N 3.18Å
990	V	88.1	Confident	93.9	Very high	49 Å²	49	26.7 Å²	26.7	30%	0.297	15%	0.147	S	C	.	.	S	Bend	trans	-105.4	127.6	168.9	-174.2	0	0	0	0	108.7	V988 T992 S1213	V988-V990 PolarHBondContact O-N 2.97Å; V990-T992 PolarHBondContact O-N 2.83Å; V990-T992 PolarHBondContact O-OG1 3.2Å; V990-S1213 WeakPolarHBondContact CG2-OG 3.44Å
991	T	90.3	Very high	93.9	Very high	101 Å²	101	26.9 Å²	26.9	62%	0.62	15%	0.148	S	C	*	.			trans	-54.8	126.1	174.7	-172.2	0	0	0	0	111	R701 R987	R701-T991 CarbonylContact O-C 3.59Å; R701-T991 WeakPolarHBondContact O-CA 3.46Å; R987-T991 PolarHBondContact NH2-O 3.46Å
992	T	92.5	Very high	93.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.144	C	C	.	.			trans	-148.5	123.1	-172.8	-48.8	0	0	0	0	107.2	R701 R987 V990 D996 R997	R701-T992 VanDerWaalsContact CA-O 3.31Å; R701-T992 WeakPolarHBondContact CA-O 3.46Å; R701-T992 PolarHBondContact O-N 2.99Å; R987-T992 VanDerWaalsContact CZ-OG1 3.3Å; R987-T992 PolarHBondContact NE-OG1 2.71Å; R987-T992 PolarHBondContact NH2-OG1 3.23Å; V990-T992 PolarHBondContact O-N 2.83Å; V990-T992 PolarHBondContact O-OG1 3.2Å; T992-D996 HydrophobicContact CG2-CB 4.09Å; T992-R997 HydrophobicContact CG2-CB 4.14Å
993	R	93.8	Very high	94	Very high	64 Å²	64	26.3 Å²	26.3	24%	0.242	15%	0.145	C	C	.	.			trans	-66.3	150.1	178	-53.4	175.1	-172.2	167.8	8.9	109.4	E696 S737 D761 D995 D996 R997	E696-R993 VanDerWaalsContact OE1-CA 3.29Å; E696-R993 WeakPolarHBondContact OE1-CA 3.36Å; S737-R993 PolarHBondContact O-NH1 2.95Å; D761-R993 VanDerWaalsContact CG-NH2 3.29Å; D761-R993 IonicContact OD1-CZ 2.64Å; D761-R993 IonicContact OD1-NH1 2.74Å; D761-R993 PolarHBondContact OD1-NH1 3.13Å; D761-R993 IonicContact OD1-NH2 3.03Å; D761-R993 PolarHBondContact OD1-NH2 3.19Å; D761-R993 IonicContact OD2-CZ 3.78Å; D761-R993 IonicContact OD2-NH1 3.2Å; D761-R993 IonicContact OD2-NH2 3.17Å; D761-R993 PolarHBondContact OD2-NH2 2.82Å; R993-D995 PolarHBondContact O-N 2.88Å; R993-D996 HydrophobicContact CB-CB 4.44Å; R993-D996 WeakPolarHBondContact CB-OD2 3.5Å; R993-D996 WeakPolarHBondContact CG-OD2 3.08Å; R993-D996 PolarHBondContact N-OD2 3.2Å; R993-D996 PolarHBondContact O-N 2.95Å; R993-R997 PolarHBondContact O-N 2.84Å; R993-R997 VanDerWaalsContact O-N 3.11Å
994	L	94.3	Very high	94.1	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-57.5	-33.9	176.5	179.1	59.1	0	0	0	111.6	E696 V706 H708 F709 Y739 S998	E696-L994 HydrophobicContact CB-CB 4.35Å; E696-L994 HydrophobicContact CB-CD2 4.42Å; E696-L994 HydrophobicContact CG-CB 3.94Å; E696-L994 PolarHBondContact OE1-N 3.38Å; V706-L994 HydrophobicContact CG1-CD1 4.32Å; H708-L994 HydrophobicContact CB-CD2 3.74Å; F709-L994 HydrophobicContact CD1-CD1 4.42Å; F709-L994 HydrophobicContact CE1-CD1 4.39Å; Y739-L994 HydrophobicContact CE2-CB 4.3Å; Y739-L994 HydrophobicContact CE2-CD2 3.96Å; Y739-L994 HydrophobicContact CE2-CG 4.36Å; L994-S998 VanDerWaalsContact O-CB 3.29Å; L994-S998 WeakPolarHBondContact O-CB 3.2Å; L994-S998 PolarHBondContact O-N 3.43Å; L994-S998 PolarHBondContact O-OG 3.36Å
995	D	96.1	Very high	94.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-69.1	-48.5	175.3	-71.9	-26.4	0	0	0	112.9	N736 Y739 C740 D741 I742 R993 R997 S998 A999	N736-D995 PolarHBondContact ND2-OD2 2.98Å; N736-D995 VanDerWaalsContact ND2-OD2 3.16Å; Y739-D995 WeakPolarHBondContact CA-OD2 3.43Å; Y739-D995 VanDerWaalsContact CD2-OD2 3.3Å; Y739-D995 WeakPolarHBondContact CD2-OD2 3.22Å; C740-D995 PolarHBondContact N-OD2 3Å; D741-D995 PolarHBondContact N-OD1 3.19Å; I742-D995 HydrophobicContact CB-CB 4.39Å; I742-D995 HydrophobicContact CD1-CB 3.72Å; I742-D995 HydrophobicContact CG1-CB 3.91Å; I742-D995 WeakPolarHBondContact CG1-OD1 3.46Å; I742-D995 PolarHBondContact N-OD1 2.97Å; R993-D995 PolarHBondContact O-N 2.88Å; D995-R997 PolarHBondContact O-N 3.36Å; D995-R997 VanDerWaalsContact O-N 3.16Å; D995-S998 PolarHBondContact O-N 2.97Å; D995-S998 VanDerWaalsContact O-N 3.09Å; D995-A999 WeakPolarHBondContact O-CB 3.32Å; D995-A999 PolarHBondContact O-N 3.32Å
996	D	95.4	Very high	94.2	Very high	28 Å²	28	22 Å²	22	15%	0.15	13%	0.127	C	C	.	.	H	α-helix	trans	-53.4	-39.1	175.3	-50.1	-25.7	0	0	0	111.5	H758 T992 R993 A1000	H758-D996 IonicContact CE1-OD1 2.63Å; T992-D996 HydrophobicContact CG2-CB 4.09Å; R993-D996 HydrophobicContact CB-CB 4.44Å; R993-D996 WeakPolarHBondContact CB-OD2 3.5Å; R993-D996 WeakPolarHBondContact CG-OD2 3.08Å; R993-D996 PolarHBondContact N-OD2 3.2Å; R993-D996 PolarHBondContact O-N 2.95Å; D996-A1000 VanDerWaalsContact O-CB 3.29Å; D996-A1000 WeakPolarHBondContact O-CB 3.18Å; D996-A1000 PolarHBondContact O-N 3.29Å; D996-A1000 VanDerWaalsContact O-N 3.17Å
997	R	95.8	Very high	94.2	Very high	1 Å²	1	22 Å²	22	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-73.2	-44.2	179.9	-167.5	-178.7	-69	-84.3	9.7	111.2	F709 K984 A985 R987 T992 R993 D995 A1000 L1001	F709-R997 VanDerWaalsContact CE1-CD 3.42Å; F709-R997 HydrophobicContact CE1-CG 3.99Å; F709-R997 HydrophobicContact CZ-CG 4.49Å; K984-R997 PolarHBondContact O-NH1 2.8Å; A985-R997 WeakPolarHBondContact O-CG 3.34Å; A985-R997 PolarHBondContact O-NH1 3.26Å; R987-R997 VanDerWaalsContact O-CZ 3.29Å; R987-R997 PolarHBondContact O-NH1 2.89Å; R987-R997 PolarHBondContact O-NH2 2.57Å; T992-R997 HydrophobicContact CG2-CB 4.14Å; R993-R997 PolarHBondContact O-N 2.84Å; R993-R997 VanDerWaalsContact O-N 3.11Å; D995-R997 PolarHBondContact O-N 3.36Å; D995-R997 VanDerWaalsContact O-N 3.16Å; R997-A1000 WeakPolarHBondContact O-CB 3.42Å; R997-A1000 PolarHBondContact O-N 2.81Å; R997-L1001 WeakPolarHBondContact O-CG 3.17Å; R997-L1001 PolarHBondContact O-N 2.82Å
998	S	96.2	Very high	94.3	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-43.8	178.3	-63.8	0	0	0	0	112.3	L994 D995 A1000 L1001 E1002	L994-S998 VanDerWaalsContact O-CB 3.29Å; L994-S998 WeakPolarHBondContact O-CB 3.2Å; L994-S998 PolarHBondContact O-N 3.43Å; L994-S998 PolarHBondContact O-OG 3.36Å; D995-S998 PolarHBondContact O-N 2.97Å; D995-S998 VanDerWaalsContact O-N 3.09Å; S998-A1000 VanDerWaalsContact C-N 3.31Å; S998-A1000 PolarHBondContact O-N 3.27Å; S998-L1001 WeakPolarHBondContact O-CB 3.48Å; S998-L1001 PolarHBondContact O-N 2.99Å; S998-E1002 PolarHBondContact O-N 3.32Å; S998-E1002 VanDerWaalsContact O-N 3.1Å
999	A	96.8	Very high	94.4	Very high	11 Å²	11	19 Å²	19	9%	0.091	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-39.8	172.3	0	0	0	0	0	111.9	I742 H758 D995 L1001 E1002 R1003	I742-A999 HydrophobicContact CD1-CB 4.24Å; I742-A999 HydrophobicContact CG2-CB 4.43Å; H758-A999 HydrophobicContact CB-CB 3.54Å; H758-A999 VanDerWaalsContact ND1-CB 3.34Å; H758-A999 WeakPolarHBondContact ND1-CB 3.42Å; D995-A999 WeakPolarHBondContact O-CB 3.32Å; D995-A999 PolarHBondContact O-N 3.32Å; A999-L1001 VanDerWaalsContact C-N 3.33Å; A999-L1001 PolarHBondContact O-N 3.08Å; A999-E1002 PolarHBondContact O-N 3.09Å; A999-R1003 WeakPolarHBondContact O-CB 3.22Å; A999-R1003 PolarHBondContact O-N 3.42Å
1000	A	96.7	Very high	94.7	Very high	7 Å²	7	18.2 Å²	18.2	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-65.8	-31.5	175.3	0	0	0	0	0	113.4	F983 K984 A985 D996 R997 S998 I1004	F983-A1000 HydrophobicContact CE1-CB 3.81Å; F983-A1000 HydrophobicContact CZ-CB 4.41Å; K984-A1000 HydrophobicContact CB-CB 3.61Å; A985-A1000 HydrophobicContact CB-CB 3.98Å; D996-A1000 VanDerWaalsContact O-CB 3.29Å; D996-A1000 WeakPolarHBondContact O-CB 3.18Å; D996-A1000 PolarHBondContact O-N 3.29Å; D996-A1000 VanDerWaalsContact O-N 3.17Å; R997-A1000 WeakPolarHBondContact O-CB 3.42Å; R997-A1000 PolarHBondContact O-N 2.81Å; S998-A1000 VanDerWaalsContact C-N 3.31Å; S998-A1000 PolarHBondContact O-N 3.27Å; A1000-I1004 PolarHBondContact O-N 3.16Å
1001	L	97.2	Very high	94.9	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-66.3	-46.8	171.6	-68.3	169.1	0	0	0	110.9	F709 V921 T924 A985 F986 R997 S998 A999 R1003 I1004 K1005	F709-L1001 HydrophobicContact CD1-CD1 3.75Å; F709-L1001 HydrophobicContact CE1-CD1 3.91Å; V921-L1001 HydrophobicContact CB-CD2 4.17Å; V921-L1001 HydrophobicContact CG1-CB 3.83Å; V921-L1001 HydrophobicContact CG1-CD2 3.91Å; V921-L1001 HydrophobicContact CG1-CG 4.39Å; V921-L1001 HydrophobicContact CG2-CD2 3.89Å; T924-L1001 HydrophobicContact CG2-CD1 4.09Å; T924-L1001 HydrophobicContact CG2-CD2 4.25Å; A985-L1001 HydrophobicContact CB-CD2 3.79Å; A985-L1001 HydrophobicContact CB-CG 4.17Å; F986-L1001 HydrophobicContact CE1-CD2 4.46Å; F986-L1001 HydrophobicContact CZ-CD2 4.29Å; R997-L1001 WeakPolarHBondContact O-CG 3.17Å; R997-L1001 PolarHBondContact O-N 2.82Å; S998-L1001 WeakPolarHBondContact O-CB 3.48Å; S998-L1001 PolarHBondContact O-N 2.99Å; A999-L1001 VanDerWaalsContact C-N 3.33Å; A999-L1001 PolarHBondContact O-N 3.08Å; L1001-R1003 VanDerWaalsContact C-N 3.35Å; L1001-R1003 PolarHBondContact O-N 3.09Å; L1001-I1004 PolarHBondContact O-N 3.37Å; L1001-K1005 PolarHBondContact O-N 3.06Å
1002	E	96.7	Very high	95.1	Very high	3 Å²	3	11.3 Å²	11.3	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-39.9	175.2	-67.8	-53.6	148.5	0	0	112.8	S746 R750 V756 S998 A999 I1004 K1005 T1006	S746-E1002 PolarHBondContact OG-OE1 2.8Å; R750-E1002 IonicContact CZ-OE1 2.94Å; R750-E1002 IonicContact NE-OE1 3.98Å; R750-E1002 PolarHBondContact NE-OE1 3Å; R750-E1002 IonicContact NE-OE2 3.18Å; R750-E1002 IonicContact NH2-OE1 3.72Å; R750-E1002 PolarHBondContact NH2-OE1 3.17Å; V756-E1002 HydrophobicContact CB-CB 4.3Å; V756-E1002 HydrophobicContact CB-CG 4.47Å; V756-E1002 HydrophobicContact CG2-CB 4.48Å; V756-E1002 HydrophobicContact CG2-CG 4.21Å; S998-E1002 PolarHBondContact O-N 3.32Å; S998-E1002 VanDerWaalsContact O-N 3.1Å; A999-E1002 PolarHBondContact O-N 3.09Å; E1002-I1004 VanDerWaalsContact C-N 3.3Å; E1002-I1004 PolarHBondContact O-N 3.33Å; E1002-K1005 PolarHBondContact O-N 3.21Å; E1002-T1006 PolarHBondContact O-N 2.76Å; E1002-T1006 PolarHBondContact O-OG1 3.21Å
1003	R	95.8	Very high	95.2	Very high	39 Å²	39	12.4 Å²	12.4	15%	0.147	6%	0.063	C	C	.	.	H	α-helix	trans	-58.7	-41.7	176.3	-174.8	67.4	-172	111.4	-0.5	111.3	A999 L1001 T1006 A1007 L1015 E1099 I1183	A999-R1003 WeakPolarHBondContact O-CB 3.22Å; A999-R1003 PolarHBondContact O-N 3.42Å; L1001-R1003 VanDerWaalsContact C-N 3.35Å; L1001-R1003 PolarHBondContact O-N 3.09Å; R1003-T1006 PolarHBondContact O-OG1 2.98Å; R1003-A1007 WeakPolarHBondContact O-CB 3.4Å; R1003-A1007 PolarHBondContact O-N 2.84Å; R1003-L1015 HydrophobicContact CG-CD1 3.9Å; R1003-E1099 IonicContact NE-OE1 2.77Å; R1003-I1183 VanDerWaalsContact NH2-CD1 3.29Å
1004	I	97.1	Very high	95.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.9	-42.9	175	-71.6	179.1	0	0	0	111.7	K918 V921 L980 F983 A985 F986 A1000 L1001 E1002 T1006 L1012	K918-I1004 HydrophobicContact CG-CG2 4.23Å; K918-I1004 PolarHBondContact NZ-O 3.46Å; V921-I1004 HydrophobicContact CG2-CB 3.82Å; V921-I1004 HydrophobicContact CG2-CG2 3.52Å; L980-I1004 HydrophobicContact CD1-CD1 4.06Å; F983-I1004 HydrophobicContact CD1-CD1 3.63Å; F983-I1004 HydrophobicContact CD1-CG1 4.3Å; F983-I1004 HydrophobicContact CE1-CD1 3.72Å; F983-I1004 HydrophobicContact CE1-CG1 3.88Å; A985-I1004 HydrophobicContact CB-CD1 4.11Å; F986-I1004 HydrophobicContact CD2-CD1 4.34Å; F986-I1004 HydrophobicContact CE2-CD1 3.67Å; A1000-I1004 PolarHBondContact O-N 3.16Å; L1001-I1004 PolarHBondContact O-N 3.37Å; E1002-I1004 VanDerWaalsContact C-N 3.3Å; E1002-I1004 PolarHBondContact O-N 3.33Å; I1004-T1006 VanDerWaalsContact C-N 3.28Å; I1004-T1006 PolarHBondContact O-N 2.82Å; I1004-L1012 HydrophobicContact CB-CD1 4.21Å; I1004-L1012 HydrophobicContact CG1-CD1 3.83Å; I1004-L1012 HydrophobicContact CG2-CD1 3.92Å; I1004-L1012 HydrophobicContact CG2-CD2 4.43Å
1005	K	95.9	Very high	95.2	Very high	11 Å²	11	9.7 Å²	9.7	5%	0.048	5%	0.053	C	C	.	.	H	α-helix	trans	-60.5	-37.9	177.5	-72.3	-74.2	-59.6	-152.6	0	111.9	K918 V921 D922 L1001 E1002	K918-K1005 PolarHBondContact NZ-O 2.88Å; V921-K1005 HydrophobicContact CB-CD 3.98Å; V921-K1005 HydrophobicContact CB-CG 4.06Å; V921-K1005 HydrophobicContact CG1-CD 3.81Å; V921-K1005 HydrophobicContact CG1-CG 3.54Å; V921-K1005 HydrophobicContact CG2-CG 4.36Å; D922-K1005 IonicContact OD1-NZ 3.57Å; D922-K1005 PolarHBondContact OD1-NZ 3.27Å; D922-K1005 IonicContact OD2-NZ 2.85Å; D922-K1005 PolarHBondContact OD2-NZ 2.56Å; L1001-K1005 PolarHBondContact O-N 3.06Å; E1002-K1005 PolarHBondContact O-N 3.21Å
1006	T	95.6	Very high	95.2	Very high	8 Å²	8	9.7 Å²	9.7	5%	0.049	5%	0.053	C	C	.	.	H	α-helix	trans	-88.5	-23.4	-178.3	53.4	0	0	0	0	115.1	T755 G853 E1002 R1003 I1004	T755-T1006 HydrophobicContact CG2-CG2 4.14Å; G853-T1006 PolarHBondContact N-O 3Å; E1002-T1006 PolarHBondContact O-N 2.76Å; E1002-T1006 PolarHBondContact O-OG1 3.21Å; R1003-T1006 PolarHBondContact O-OG1 2.98Å; I1004-T1006 VanDerWaalsContact C-N 3.28Å; I1004-T1006 PolarHBondContact O-N 2.82Å
1007	A	95.2	Very high	95.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.			trans	-63.2	135.9	-173.5	0	0	0	0	0	114.5	K918 R1003 L1012 L1015	K918-A1007 PolarHBondContact NZ-O 3.3Å; R1003-A1007 WeakPolarHBondContact O-CB 3.4Å; R1003-A1007 PolarHBondContact O-N 2.84Å; A1007-L1012 HydrophobicContact CB-CB 3.92Å; A1007-L1015 HydrophobicContact CB-CD1 4.12Å
1008	P	94.4	Very high	95.2	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.019	5%	0.048	C	C	.	.			trans	-58.3	156.4	163.2	-26.5	37.3	0	0	0	113.2	H456 D851 T1010 D1011 L1012	H456-P1008 HydrophobicContact CB-CB 4.36Å; H456-P1008 VanDerWaalsContact CE1-CG 3.41Å; H456-P1008 WeakPolarHBondContact CE1-CG 3.35Å; D851-P1008 VanDerWaalsContact O-CD 3.31Å; D851-P1008 WeakPolarHBondContact O-CD 3.08Å; D851-P1008 VanDerWaalsContact O-CG 3.32Å; D851-P1008 WeakPolarHBondContact O-CG 3.32Å; P1008-T1010 PolarHBondContact O-N 2.92Å; P1008-D1011 HydrophobicContact CB-CB 4.46Å; P1008-D1011 PolarHBondContact O-N 3.01Å; P1008-D1011 VanDerWaalsContact O-N 3.17Å; P1008-L1012 WeakPolarHBondContact O-CB 3.42Å; P1008-L1012 PolarHBondContact O-N 3.34Å
1009	P	93	Very high	95	Very high	7 Å²	7	10.9 Å²	10.9	5%	0.045	6%	0.057	C	C	.	.	H	α-helix	trans	-57.3	-48.2	-175.7	-24.9	34.6	0	0	0	113.4	V454 C914 D1011 L1012 L1013	V454-P1009 HydrophobicContact CB-CG 3.97Å; V454-P1009 HydrophobicContact CG2-CB 4.02Å; V454-P1009 HydrophobicContact CG2-CG 3.8Å; C914-P1009 PolarHBondContact SG-O 2.86Å; P1009-D1011 PolarHBondContact O-N 2.91Å; P1009-L1012 PolarHBondContact O-N 2.93Å; P1009-L1013 WeakPolarHBondContact O-CG 3.31Å; P1009-L1013 PolarHBondContact O-N 3.01Å
1010	T	90.9	Very high	94.8	Very high	36 Å²	36	10.3 Å²	10.3	22%	0.221	5%	0.052	C	C	.	.	H	α-helix	trans	-66.6	-24.8	-178	-49.4	0	0	0	0	112.8	D428 P1008 T1014 R1181	D428-T1010 PolarHBondContact OD1-OG1 3.37Å; P1008-T1010 PolarHBondContact O-N 2.92Å; T1010-T1014 PolarHBondContact O-OG1 2.87Å; T1010-R1181 PolarHBondContact O-NH1 3.01Å
1011	D	92.4	Very high	94.6	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-82.9	-48.3	174.2	-67.3	-12.5	0	0	0	111.4	P1008 P1009 L1013 T1014 L1015 R1181 P1182	P1008-D1011 HydrophobicContact CB-CB 4.46Å; P1008-D1011 PolarHBondContact O-N 3.01Å; P1008-D1011 VanDerWaalsContact O-N 3.17Å; P1009-D1011 PolarHBondContact O-N 2.91Å; D1011-L1013 VanDerWaalsContact C-N 3.27Å; D1011-L1013 PolarHBondContact O-N 3.1Å; D1011-T1014 CarbonylContact O-C 3.36Å; D1011-T1014 WeakPolarHBondContact O-CA 3.13Å; D1011-T1014 PolarHBondContact O-N 2.95Å; D1011-L1015 WeakPolarHBondContact O-CG 3.38Å; D1011-L1015 PolarHBondContact O-N 2.87Å; D1011-R1181 WeakPolarHBondContact OD1-CD 3.38Å; D1011-R1181 IonicContact OD1-CZ 3.05Å; D1011-R1181 IonicContact OD1-NE 2.65Å; D1011-R1181 IonicContact OD1-NH1 3.91Å; D1011-R1181 PolarHBondContact OD1-NH1 3.43Å; D1011-P1182 WeakPolarHBondContact OD2-CD 3.36Å; D1011-P1182 WeakPolarHBondContact OD2-CG 3.41Å
1012	L	95.4	Very high	94.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55.2	-42.7	178	-178.9	50.5	0	0	0	111.6	C914 K918 I1004 A1007 P1008 P1009 T1014 L1015 I1016	C914-L1012 HydrophobicContact CB-CD2 4.01Å; K918-L1012 HydrophobicContact CG-CD2 4.23Å; I1004-L1012 HydrophobicContact CB-CD1 4.21Å; I1004-L1012 HydrophobicContact CG1-CD1 3.83Å; I1004-L1012 HydrophobicContact CG2-CD1 3.92Å; I1004-L1012 HydrophobicContact CG2-CD2 4.43Å; A1007-L1012 HydrophobicContact CB-CB 3.92Å; P1008-L1012 WeakPolarHBondContact O-CB 3.42Å; P1008-L1012 PolarHBondContact O-N 3.34Å; P1009-L1012 PolarHBondContact O-N 2.93Å; L1012-T1014 PolarHBondContact O-N 2.81Å; L1012-L1015 PolarHBondContact O-N 3.44Å; L1012-I1016 HydrophobicContact CD1-CG2 4.21Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.38Å; L1012-I1016 WeakPolarHBondContact O-CG2 3.42Å; L1012-I1016 PolarHBondContact O-N 2.9Å; L1012-I1016 VanDerWaalsContact O-N 3.12Å
1013	L	94.7	Very high	93.9	Very high	26 Å²	26	11.1 Å²	11.1	14%	0.136	5%	0.054	C	C	.	.	H	α-helix	trans	-60.4	-28.5	173.5	-71.4	175.3	0	0	0	114	A913 Y976 P1009 D1011 I1016 Y1017	A913-L1013 HydrophobicContact CB-CD2 4.1Å; Y976-L1013 HydrophobicContact CD1-CD2 4.29Å; Y976-L1013 HydrophobicContact CD2-CD2 4.3Å; Y976-L1013 HydrophobicContact CE1-CD2 4.24Å; Y976-L1013 HydrophobicContact CE2-CD2 4.23Å; Y976-L1013 HydrophobicContact CG-CD2 4.35Å; P1009-L1013 WeakPolarHBondContact O-CG 3.31Å; P1009-L1013 PolarHBondContact O-N 3.01Å; D1011-L1013 VanDerWaalsContact C-N 3.27Å; D1011-L1013 PolarHBondContact O-N 3.1Å; L1013-I1016 HydrophobicContact CD2-CD1 4.22Å; L1013-Y1017 PolarHBondContact O-N 3.35Å
1014	T	93.6	Very high	93.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-88.7	-31	179.3	-47.5	0	0	0	0	112.3	T1010 D1011 L1012 I1016 Y1017 P1018 K1019 R1181	T1010-T1014 PolarHBondContact O-OG1 2.87Å; D1011-T1014 CarbonylContact O-C 3.36Å; D1011-T1014 WeakPolarHBondContact O-CA 3.13Å; D1011-T1014 PolarHBondContact O-N 2.95Å; L1012-T1014 PolarHBondContact O-N 2.81Å; T1014-I1016 VanDerWaalsContact C-N 3.31Å; T1014-Y1017 WeakPolarHBondContact CA-O 3.41Å; T1014-Y1017 CarbonylContact O-C 3.52Å; T1014-Y1017 VanDerWaalsContact O-C 3.3Å; T1014-P1018 WeakPolarHBondContact O-CA 3.39Å; T1014-P1018 WeakPolarHBondContact O-CD 3.2Å; T1014-P1018 VanDerWaalsContact O-N 3.1Å; T1014-K1019 HydrophobicContact CG2-CG 4.18Å; T1014-K1019 WeakPolarHBondContact OG1-CE 3.36Å; T1014-R1181 PolarHBondContact OG1-NH1 3.4Å; T1014-R1181 PolarHBondContact OG1-NH2 3.45Å
1015	L	94.4	Very high	92.8	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.052	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-38.1	170.9	-66.8	173.2	0	0	0	111.6	F983 R1003 A1007 D1011 L1012 E1099	F983-L1015 VanDerWaalsContact CD2-O 3.23Å; F983-L1015 WeakPolarHBondContact CD2-O 3.04Å; F983-L1015 HydrophobicContact CE2-CB 3.96Å; F983-L1015 HydrophobicContact CE2-CD2 4.5Å; F983-L1015 HydrophobicContact CZ-CB 4.37Å; R1003-L1015 HydrophobicContact CG-CD1 3.9Å; A1007-L1015 HydrophobicContact CB-CD1 4.12Å; D1011-L1015 WeakPolarHBondContact O-CG 3.38Å; D1011-L1015 PolarHBondContact O-N 2.87Å; L1012-L1015 PolarHBondContact O-N 3.44Å; L1015-E1099 HydrophobicContact CD2-CG 3.58Å
1016	I	95.8	Very high	92.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-86.9	-29.9	178.9	72.4	-176.2	0	0	0	113	A913 Y976 G979 L980 L1012 L1013 T1014	A913-I1016 HydrophobicContact CB-CD1 4.25Å; Y976-I1016 HydrophobicContact CD1-CD1 4.47Å; Y976-I1016 HydrophobicContact CG-CD1 4.47Å; G979-I1016 CarbonylContact C-O 3.59Å; G979-I1016 VanDerWaalsContact CA-O 3.22Å; G979-I1016 WeakPolarHBondContact CA-O 3.44Å; L980-I1016 HydrophobicContact CB-CB 4.22Å; L980-I1016 HydrophobicContact CB-CG2 4.15Å; L980-I1016 HydrophobicContact CD1-CG2 3.74Å; L1012-I1016 HydrophobicContact CD1-CG2 4.21Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.38Å; L1012-I1016 WeakPolarHBondContact O-CG2 3.42Å; L1012-I1016 PolarHBondContact O-N 2.9Å; L1012-I1016 VanDerWaalsContact O-N 3.12Å; L1013-I1016 HydrophobicContact CD2-CD1 4.22Å; T1014-I1016 VanDerWaalsContact C-N 3.31Å
1017	Y	95.7	Very high	91.3	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.02	9%	0.086	C	C	.	.	S	Bend	trans	-140.7	90	175.9	-168.5	-92.3	0	0	0	110.3	L406 L975 Y976 L1013 T1014 L1082 V1207 E1208	L406-Y1017 HydrophobicContact CD1-CE1 4.42Å; L406-Y1017 HydrophobicContact CD2-CE1 4.31Å; L975-Y1017 HydrophobicContact CD1-CD2 4.41Å; L975-Y1017 HydrophobicContact CD1-CE2 3.77Å; L975-Y1017 HydrophobicContact CD2-CD2 4.35Å; L975-Y1017 HydrophobicContact CD2-CE1 4.46Å; L975-Y1017 HydrophobicContact CD2-CE2 3.61Å; L975-Y1017 HydrophobicContact CG-CD2 3.9Å; L975-Y1017 HydrophobicContact CG-CE2 3.48Å; L975-Y1017 VanDerWaalsContact CG-CE2 3.48Å; Y976-Y1017 HydrophobicContact CD1-CG 4.27Å; Y976-Y1017 HydrophobicContact CE1-CD1 4.39Å; Y976-Y1017 HydrophobicContact CE1-CG 4.34Å; L1013-Y1017 PolarHBondContact O-N 3.35Å; T1014-Y1017 WeakPolarHBondContact CA-O 3.41Å; T1014-Y1017 CarbonylContact O-C 3.52Å; T1014-Y1017 VanDerWaalsContact O-C 3.3Å; Y1017-L1082 HydrophobicContact CD1-CD1 4.08Å; Y1017-L1082 HydrophobicContact CD2-CD1 3.69Å; Y1017-L1082 HydrophobicContact CD2-CG 4.48Å; Y1017-L1082 HydrophobicContact CE1-CD1 4.07Å; Y1017-L1082 HydrophobicContact CE1-CG 4.15Å; Y1017-L1082 HydrophobicContact CE2-CB 4.13Å; Y1017-L1082 HydrophobicContact CE2-CD1 3.63Å; Y1017-L1082 HydrophobicContact CE2-CG 3.93Å; Y1017-L1082 HydrophobicContact CG-CD1 3.9Å; Y1017-L1082 PolarHBondContact OH-N 2.89Å; Y1017-V1207 HydrophobicContact CD2-CG2 3.56Å; Y1017-V1207 HydrophobicContact CE2-CG2 3.77Å; Y1017-E1208 WeakPolarHBondContact CE2-OE1 3.31Å; Y1017-E1208 PolarHBondContact OH-OE1 3.39Å
1018	P	94.9	Very high	89.9	Confident	6 Å²	6	22.4 Å²	22.4	4%	0.039	11%	0.111	C	C	.	.			trans	-49	169.3	174	-34.3	39.1	0	0	0	115.7	T1014 Q1079 L1082 L1095 D1096 C1205	T1014-P1018 WeakPolarHBondContact O-CA 3.39Å; T1014-P1018 WeakPolarHBondContact O-CD 3.2Å; T1014-P1018 VanDerWaalsContact O-N 3.1Å; P1018-Q1079 PolarHBondContact O-NE2 3.48Å; P1018-L1082 HydrophobicContact CB-CD1 3.92Å; P1018-L1082 HydrophobicContact CB-CD2 4.21Å; P1018-L1082 HydrophobicContact CG-CD1 4.25Å; P1018-L1082 WeakPolarHBondContact O-CD1 3.3Å; P1018-L1095 HydrophobicContact CB-CD1 3.74Å; P1018-L1095 HydrophobicContact CB-CG 4.48Å; P1018-D1096 CarbonylContact C-O 3.46Å; P1018-D1096 VanDerWaalsContact CA-O 3.3Å; P1018-D1096 WeakPolarHBondContact CA-O 3.29Å; P1018-D1096 WeakPolarHBondContact CB-O 3.47Å; P1018-C1205 HydrophobicContact CG-CB 4.21Å
1019	K	92.9	Very high	87.9	Confident	47 Å²	47	31.4 Å²	31.4	20%	0.204	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108.7	-178.9	-50	-173.2	-179.2	177.9	0	111.5	T1014 Y1021 Q1079 L1095 D1096	T1014-K1019 HydrophobicContact CG2-CG 4.18Å; T1014-K1019 WeakPolarHBondContact OG1-CE 3.36Å; K1019-Y1021 HydrophobicContact CB-CE2 3.64Å; K1019-Y1021 WeakPolarHBondContact CD-OH 3.48Å; K1019-Y1021 WeakPolarHBondContact O-CD2 3.31Å; K1019-Q1079 HydrophobicContact CB-CG 4.26Å; K1019-L1095 WeakPolarHBondContact O-CA 3.42Å; K1019-D1096 HydrophobicContact CB-CB 4.3Å; K1019-D1096 PolarHBondContact N-O 3.37Å; K1019-D1096 PolarHBondContact O-N 2.62Å
1020	L	92.9	Very high	85.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.7	178.3	-177.7	65.2	0	0	0	110.6	L1080 L1082 I1087 F1093 L1094 L1095 F1202	L1020-L1080 HydrophobicContact CB-CB 4.15Å; L1020-L1080 HydrophobicContact CD2-CB 4.06Å; L1020-L1080 HydrophobicContact CD2-CD1 4.33Å; L1020-L1080 HydrophobicContact CG-CB 4.08Å; L1020-L1080 HydrophobicContact CG-CD1 4.29Å; L1020-L1080 PolarHBondContact O-N 3Å; L1020-L1082 HydrophobicContact CB-CD2 3.83Å; L1020-I1087 HydrophobicContact CD2-CD1 4.1Å; L1020-I1087 HydrophobicContact CD2-CG1 4.09Å; L1020-F1093 HydrophobicContact CD1-CB 4.02Å; L1020-F1093 HydrophobicContact CD1-CD1 4.35Å; L1020-L1094 CarbonylContact C-O 3.37Å; L1020-L1095 HydrophobicContact CB-CD1 4.04Å; L1020-L1095 HydrophobicContact CD1-CB 4.28Å; L1020-L1095 HydrophobicContact CD1-CD1 4.3Å; L1020-F1202 HydrophobicContact CD1-CZ 4.29Å
1021	Y	91.8	Very high	83.8	Confident	28 Å²	28	37.5 Å²	37.5	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.8	-175.9	-60.1	-69.7	0	0	0	111.5	K1019 V1023 P1077 Q1079 F1093 L1094 L1173 I1177	K1019-Y1021 HydrophobicContact CB-CE2 3.64Å; K1019-Y1021 WeakPolarHBondContact CD-OH 3.48Å; K1019-Y1021 WeakPolarHBondContact O-CD2 3.31Å; Y1021-V1023 VanDerWaalsContact C-N 3.33Å; Y1021-V1023 PolarHBondContact O-N 2.98Å; Y1021-P1077 HydrophobicContact CD1-CB 4.47Å; Y1021-P1077 HydrophobicContact CD1-CG 3.77Å; Y1021-P1077 WeakPolarHBondContact CD1-O 3.42Å; Y1021-P1077 HydrophobicContact CG-CG 4.1Å; Y1021-Q1079 HydrophobicContact CE1-CB 4.19Å; Y1021-F1093 CarbonylContact O-C 3.55Å; Y1021-F1093 VanDerWaalsContact O-CA 3.29Å; Y1021-F1093 WeakPolarHBondContact O-CA 3.42Å; Y1021-L1094 PolarHBondContact N-O 2.98Å; Y1021-L1094 PolarHBondContact O-N 2.84Å; Y1021-L1173 HydrophobicContact CD2-CD2 4.22Å; Y1021-L1173 HydrophobicContact CE2-CD1 4.46Å; Y1021-L1173 HydrophobicContact CG-CD2 4.22Å; Y1021-I1177 HydrophobicContact CE2-CD1 4.35Å
1022	A	89.9	Confident	81.6	Confident	3 Å²	3	41 Å²	41	3%	0.025	21%	0.209	C	C	.	.			trans	-79.3	71.7	176.4	0	0	0	0	0	112.5	H1024 R1025 L1080 F1093	A1022-H1024 VanDerWaalsContact CB-CE1 3.49Å; A1022-H1024 WeakPolarHBondContact CB-CE1 3.38Å; A1022-H1024 PolarHBondContact O-N 3.33Å; A1022-R1025 HydrophobicContact CB-CG 4.08Å; A1022-R1025 WeakPolarHBondContact O-CB 3.29Å; A1022-R1025 WeakPolarHBondContact O-CG 3.35Å; A1022-R1025 PolarHBondContact O-N 3.42Å; A1022-L1080 HydrophobicContact CB-CD1 3.88Å; A1022-F1093 HydrophobicContact CB-CD1 4.3Å; A1022-F1093 HydrophobicContact CB-CE1 4.1Å
1023	V	89.9	Confident	79.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-65.9	-18	-173	-59.3	0	0	0	0	114.7	Y1021 R1025 F1026 V1092 L1094 L1103 L1125 L1170 L1173	Y1021-V1023 VanDerWaalsContact C-N 3.33Å; Y1021-V1023 PolarHBondContact O-N 2.98Å; V1023-R1025 PolarHBondContact O-N 2.92Å; V1023-R1025 VanDerWaalsContact O-N 3.16Å; V1023-F1026 HydrophobicContact CB-CD2 3.78Å; V1023-F1026 HydrophobicContact CB-CE2 3.72Å; V1023-F1026 HydrophobicContact CG1-CD2 4.22Å; V1023-F1026 HydrophobicContact CG1-CE2 3.62Å; V1023-F1026 HydrophobicContact CG1-CZ 4.34Å; V1023-F1026 WeakPolarHBondContact O-CB 3.37Å; V1023-F1026 VanDerWaalsContact O-CD2 3.27Å; V1023-F1026 WeakPolarHBondContact O-CD2 3.37Å; V1023-F1026 WeakPolarHBondContact O-CG 3.3Å; V1023-F1026 PolarHBondContact O-N 3.39Å; V1023-V1092 HydrophobicContact CG2-CB 4.13Å; V1023-V1092 HydrophobicContact CG2-CG1 3.73Å; V1023-V1092 PolarHBondContact N-O 3.37Å; V1023-L1094 HydrophobicContact CG1-CB 3.59Å; V1023-L1094 HydrophobicContact CG2-CB 4.44Å; V1023-L1103 HydrophobicContact CG2-CD1 4Å; V1023-L1125 HydrophobicContact CG2-CD1 4.5Å; V1023-L1170 HydrophobicContact CB-CD1 4.15Å; V1023-L1170 HydrophobicContact CG1-CD1 3.97Å; V1023-L1170 HydrophobicContact CG2-CD1 4.34Å; V1023-L1173 HydrophobicContact CG1-CD2 4.06Å
1024	H	85.6	Confident	77.3	Confident	37 Å²	37	52.2 Å²	52.2	17%	0.171	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-54.9	-27.3	166.8	59.9	-89.9	0	0	0	113.4	A1022 F1026 V1027 V1092 F1093 I1121	A1022-H1024 VanDerWaalsContact CB-CE1 3.49Å; A1022-H1024 WeakPolarHBondContact CB-CE1 3.38Å; A1022-H1024 PolarHBondContact O-N 3.33Å; H1024-F1026 PolarHBondContact O-N 2.86Å; H1024-V1027 PolarHBondContact O-N 3.5Å; H1024-V1092 HydrophobicContact CB-CB 4.12Å; H1024-V1092 HydrophobicContact CB-CG2 4.44Å; H1024-V1092 PolarHBondContact N-O 2.74Å; H1024-V1092 VanDerWaalsContact N-O 3.13Å; H1024-V1092 PolarHBondContact ND1-N 3.4Å; H1024-V1092 PolarHBondContact ND1-O 3.15Å; H1024-F1093 AromaticContact CE1-CE1 3.74Å; H1024-F1093 AromaticContact CE1-CZ 3.59Å; H1024-I1121 HydrophobicContact CB-CG2 4.09Å
1025	R	84.2	Confident	75.3	Confident	152 Å²	152	52.6 Å²	52.6	57%	0.574	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-72.2	-8.4	177.6	-58.4	-177.5	-177.7	-176.2	-0.6	114	A1022 V1023 V1027 S1028	A1022-R1025 HydrophobicContact CB-CG 4.08Å; A1022-R1025 WeakPolarHBondContact O-CB 3.29Å; A1022-R1025 WeakPolarHBondContact O-CG 3.35Å; A1022-R1025 PolarHBondContact O-N 3.42Å; V1023-R1025 PolarHBondContact O-N 2.92Å; V1023-R1025 VanDerWaalsContact O-N 3.16Å; R1025-V1027 PolarHBondContact O-N 3.19Å; R1025-S1028 PolarHBondContact O-OG 2.87Å
1026	F	81.8	Confident	73.4	Confident	9 Å²	9	54.6 Å²	54.6	4%	0.039	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-70.2	-19.9	174.3	-66	-41.7	0	0	0	114.1	V1023 H1024 P1077 L1125 R1169 L1170 L1173	V1023-F1026 HydrophobicContact CB-CD2 3.78Å; V1023-F1026 HydrophobicContact CB-CE2 3.72Å; V1023-F1026 HydrophobicContact CG1-CD2 4.22Å; V1023-F1026 HydrophobicContact CG1-CE2 3.62Å; V1023-F1026 HydrophobicContact CG1-CZ 4.34Å; V1023-F1026 WeakPolarHBondContact O-CB 3.37Å; V1023-F1026 VanDerWaalsContact O-CD2 3.27Å; V1023-F1026 WeakPolarHBondContact O-CD2 3.37Å; V1023-F1026 WeakPolarHBondContact O-CG 3.3Å; V1023-F1026 PolarHBondContact O-N 3.39Å; H1024-F1026 PolarHBondContact O-N 2.86Å; F1026-P1077 HydrophobicContact CE1-CB 4.09Å; F1026-P1077 HydrophobicContact CE1-CG 3.79Å; F1026-P1077 HydrophobicContact CZ-CB 4.35Å; F1026-P1077 HydrophobicContact CZ-CG 3.61Å; F1026-L1125 HydrophobicContact CB-CD2 4.27Å; F1026-L1125 HydrophobicContact CD2-CD2 4.29Å; F1026-R1169 HydrophobicContact CB-CB 3.93Å; F1026-R1169 HydrophobicContact CD1-CB 3.63Å; F1026-R1169 HydrophobicContact CD1-CG 4.26Å; F1026-R1169 HydrophobicContact CD2-CB 3.92Å; F1026-R1169 HydrophobicContact CE1-CB 3.94Å; F1026-R1169 HydrophobicContact CE2-CB 4.23Å; F1026-R1169 HydrophobicContact CG-CB 3.6Å; F1026-R1169 HydrophobicContact CG-CG 4.5Å; F1026-R1169 HydrophobicContact CZ-CB 4.21Å; F1026-R1169 PolarHBondContact O-NH1 2.87Å; F1026-L1170 HydrophobicContact CD2-CB 4.16Å; F1026-L1170 HydrophobicContact CE2-CB 4.16Å; F1026-L1170 HydrophobicContact CE2-CD1 4.37Å; F1026-L1173 HydrophobicContact CE2-CD2 4.19Å; F1026-L1173 HydrophobicContact CZ-CB 4.24Å; F1026-L1173 HydrophobicContact CZ-CD2 3.9Å
1027	V	77.7	Confident	71.1	Confident	22 Å²	22	61.8 Å²	61.8	13%	0.133	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-86.8	-16.1	-174.6	177.7	0	0	0	0	112.8	H1024 R1025 K1029 I1121 Q1124 L1125	H1024-V1027 PolarHBondContact O-N 3.5Å; R1025-V1027 PolarHBondContact O-N 3.19Å; V1027-K1029 PolarHBondContact O-N 3.5Å; V1027-I1121 HydrophobicContact CB-CG1 4.18Å; V1027-I1121 HydrophobicContact CG1-CG1 3.99Å; V1027-I1121 HydrophobicContact CG2-CG2 4.36Å; V1027-Q1124 HydrophobicContact CG1-CB 4.23Å; V1027-Q1124 HydrophobicContact CG1-CG 4.5Å; V1027-Q1124 HydrophobicContact CG2-CB 3.94Å; V1027-L1125 HydrophobicContact CG2-CD1 4.46Å; V1027-L1125 HydrophobicContact CG2-CD2 4Å; V1027-L1125 HydrophobicContact CG2-CG 3.85Å
1028	S	67.2	Low	68.8	Low	75 Å²	75	63 Å²	63	52%	0.524	34%	0.336	S	S	.	.	S	Bend	trans	-63.6	138.2	172.5	53.8	0	0	0	0	110.9	R1025	R1025-S1028 PolarHBondContact O-OG 2.87Å
1029	K	51.8	Low	66.3	Low	192 Å²	192	66.2 Å²	66.2	84%	0.835	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-51.9	144.7	174.3	-67	-177.4	177.9	-179	0	110.3	V1027	V1027-K1029 PolarHBondContact O-N 3.5Å
1030	P	49.8	Very low	64	Low	71 Å²	71	68.6 Å²	68.6	46%	0.461	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-55.3	152	172.3	25.5	-34.1	0	0	0	110.3
1031	L	47.6	Very low	61.5	Low	100 Å²	100	71 Å²	71	52%	0.524	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-57.8	146.8	177	-64.3	84.3	0	0	0	109.4	A1035 Q1039	L1031-A1035 HydrophobicContact CB-CB 3.6Å; L1031-A1035 HydrophobicContact CD2-CB 4.21Å; L1031-Q1039 HydrophobicContact CD2-CB 4.32Å; L1031-Q1039 HydrophobicContact CD2-CG 4.45Å
1032	S	46	Very low	59	Low	77 Å²	77	71.9 Å²	71.9	54%	0.538	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-59.7	166.4	-173.1	68.7	0	0	0	0	112.8	H1034 A1035	S1032-H1034 PolarHBondContact O-N 3.27Å; S1032-A1035 VanDerWaalsContact O-CB 3.25Å; S1032-A1035 WeakPolarHBondContact O-CB 3.43Å; S1032-A1035 PolarHBondContact O-N 3.32Å
1033	S	51.4	Low	56.6	Low	94 Å²	94	73.1 Å²	73.1	66%	0.657	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-30.5	173.5	49	0	0	0	0	113.6	A1035 K1040	S1033-A1035 VanDerWaalsContact C-N 3.34Å; S1033-A1035 PolarHBondContact O-N 3.34Å; S1033-K1040 PolarHBondContact O-NZ 3.45Å
1034	H	48.2	Very low	53.9	Low	167 Å²	167	77.7 Å²	77.7	77%	0.773	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.2	178.4	-61.8	-82.7	0	0	0	115.3	S1032 T1036	S1032-H1034 PolarHBondContact O-N 3.27Å; H1034-T1036 PolarHBondContact O-N 2.92Å
1035	A	52.4	Low	51.7	Low	9 Å²	9	85 Å²	85	7%	0.074	45%	0.452	C	S	.	.			trans	-57.2	136.8	174.1	0	0	0	0	0	110.9	L1031 S1032 S1033 Q1039 K1040	L1031-A1035 HydrophobicContact CB-CB 3.6Å; L1031-A1035 HydrophobicContact CD2-CB 4.21Å; S1032-A1035 VanDerWaalsContact O-CB 3.25Å; S1032-A1035 WeakPolarHBondContact O-CB 3.43Å; S1032-A1035 PolarHBondContact O-N 3.32Å; S1033-A1035 VanDerWaalsContact C-N 3.34Å; S1033-A1035 PolarHBondContact O-N 3.34Å; A1035-Q1039 HydrophobicContact CB-CB 4.35Å; A1035-K1040 HydrophobicContact CB-CG 4.27Å; A1035-K1040 WeakPolarHBondContact O-CE 3.43Å; A1035-K1040 PolarHBondContact O-NZ 2.92Å
1036	T	53.6	Low	49.2	Very low	51 Å²	51	80.5 Å²	80.5	31%	0.313	44%	0.439	S	S	.	.			trans	-64.9	155.7	-173.1	75.7	0	0	0	0	111	H1034 A1038 Q1039 K1040	H1034-T1036 PolarHBondContact O-N 2.92Å; T1036-A1038 PolarHBondContact O-N 3.47Å; T1036-A1038 VanDerWaalsContact O-N 3.13Å; T1036-Q1039 WeakPolarHBondContact O-CB 3.5Å; T1036-Q1039 PolarHBondContact O-N 3.41Å; T1036-Q1039 WeakPolarHBondContact OG1-CG 3.2Å; T1036-Q1039 PolarHBondContact OG1-N 2.97Å; T1036-Q1039 VanDerWaalsContact OG1-N 3.17Å; T1036-K1040 PolarHBondContact O-N 3.12Å
1037	L	48.5	Very low	46.9	Very low	152 Å²	152	85.6 Å²	85.6	80%	0.796	47%	0.471	S	S	*	.	H	α-helix	trans	-60	-29.3	-176.9	-168.7	139.4	0	0	0	112.5	A1041	L1037-A1041 WeakPolarHBondContact O-CB 3.26Å; L1037-A1041 PolarHBondContact O-N 2.98Å
1038	A	46	Very low	44.6	Very low	31 Å²	31	89 Å²	89	26%	0.256	49%	0.488	S	S	.	.	H	α-helix	trans	-87.1	-21.3	173.9	0	0	0	0	0	114.6	P381 T1036 A1042	P381-A1038 HydrophobicContact CB-CB 3.5Å; T1036-A1038 PolarHBondContact O-N 3.47Å; T1036-A1038 VanDerWaalsContact O-N 3.13Å; A1038-A1042 WeakPolarHBondContact O-CB 3.38Å; A1038-A1042 PolarHBondContact O-N 3.33Å
1039	Q	43.9	Very low	43	Very low	74 Å²	74	93.4 Å²	93.4	35%	0.346	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-45.4	161.2	-76.9	172.3	-27.6	0	0	110.1	P381 L1031 A1035 T1036 A1042 S1043	P381-Q1039 HydrophobicContact CG-CG 4.35Å; L1031-Q1039 HydrophobicContact CD2-CB 4.32Å; L1031-Q1039 HydrophobicContact CD2-CG 4.45Å; A1035-Q1039 HydrophobicContact CB-CB 4.35Å; T1036-Q1039 WeakPolarHBondContact O-CB 3.5Å; T1036-Q1039 PolarHBondContact O-N 3.41Å; T1036-Q1039 WeakPolarHBondContact OG1-CG 3.2Å; T1036-Q1039 PolarHBondContact OG1-N 2.97Å; T1036-Q1039 VanDerWaalsContact OG1-N 3.17Å; Q1039-A1042 PolarHBondContact O-N 2.91Å; Q1039-S1043 PolarHBondContact O-N 2.85Å; Q1039-S1043 VanDerWaalsContact O-N 3.16Å; Q1039-S1043 PolarHBondContact O-OG 2.82Å
1040	K	43.3	Very low	42.1	Very low	97 Å²	97	88.9 Å²	88.9	42%	0.422	49%	0.485	S	S	.	.	H	α-helix	trans	-62.5	-42.3	174.1	-69.1	170.1	176.9	158.5	0	111.7	S1033 A1035 T1036 A1042 S1043 L1044	S1033-K1040 PolarHBondContact O-NZ 3.45Å; A1035-K1040 HydrophobicContact CB-CG 4.27Å; A1035-K1040 WeakPolarHBondContact O-CE 3.43Å; A1035-K1040 PolarHBondContact O-NZ 2.92Å; T1036-K1040 PolarHBondContact O-N 3.12Å; K1040-A1042 VanDerWaalsContact C-N 3.32Å; K1040-A1042 PolarHBondContact O-N 2.65Å; K1040-S1043 WeakPolarHBondContact O-CA 3.18Å; K1040-S1043 WeakPolarHBondContact O-CB 3.44Å; K1040-S1043 PolarHBondContact O-N 3.42Å; K1040-L1044 WeakPolarHBondContact O-CG 3.36Å; K1040-L1044 PolarHBondContact O-N 2.86Å
1041	A	41.2	Very low	41	Very low	50 Å²	50	92.8 Å²	92.8	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-66.9	-28.5	175.6	0	0	0	0	0	113.7	L1037 S1043 L1044	L1037-A1041 WeakPolarHBondContact O-CB 3.26Å; L1037-A1041 PolarHBondContact O-N 2.98Å; A1041-S1043 VanDerWaalsContact C-N 3.28Å; A1041-L1044 PolarHBondContact O-N 2.84Å
1042	A	38.2	Very low	40.2	Very low	47 Å²	47	94.8 Å²	94.8	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-73	-18.9	169.5	0	0	0	0	0	113.2	A1038 Q1039 K1040 Q1075	A1038-A1042 WeakPolarHBondContact O-CB 3.38Å; A1038-A1042 PolarHBondContact O-N 3.33Å; Q1039-A1042 PolarHBondContact O-N 2.91Å; K1040-A1042 VanDerWaalsContact C-N 3.32Å; K1040-A1042 PolarHBondContact O-N 2.65Å; A1042-Q1075 PolarHBondContact O-NE2 3.04Å; A1042-Q1075 VanDerWaalsContact O-NE2 3.09Å
1043	S	39.7	Very low	39.4	Very low	28 Å²	28	98.7 Å²	98.7	20%	0.196	52%	0.523	C	S	.	.	H	α-helix	trans	-81.1	-27.3	166.7	-54.6	0	0	0	0	112.9	Q1039 K1040 A1041 R1045	Q1039-S1043 PolarHBondContact O-N 2.85Å; Q1039-S1043 VanDerWaalsContact O-N 3.16Å; Q1039-S1043 PolarHBondContact O-OG 2.82Å; K1040-S1043 WeakPolarHBondContact O-CA 3.18Å; K1040-S1043 WeakPolarHBondContact O-CB 3.44Å; K1040-S1043 PolarHBondContact O-N 3.42Å; A1041-S1043 VanDerWaalsContact C-N 3.28Å; S1043-R1045 PolarHBondContact O-N 3.17Å
1044	L	33	Very low	38.3	Very low	96 Å²	96	105.5 Å²	105.5	50%	0.503	53%	0.534	S	S	.	.			trans	-73.8	82.2	179.9	-68	178.8	0	0	0	113	K1040 A1041 A1073	K1040-L1044 WeakPolarHBondContact O-CG 3.36Å; K1040-L1044 PolarHBondContact O-N 2.86Å; A1041-L1044 PolarHBondContact O-N 2.84Å; L1044-A1073 HydrophobicContact CD2-CB 3.73Å
1045	R	39.7	Very low	37.4	Very low	190 Å²	190	102.9 Å²	102.9	72%	0.717	53%	0.532	S	S	*	.			trans	-159.4	45.5	165.1	-112.7	154.6	-155.8	-170.9	6.9	117.9	S1043	S1043-R1045 PolarHBondContact O-N 3.17Å
1046	L	32.6	Very low	36.3	Very low	59 Å²	59	108.3 Å²	108.3	31%	0.309	57%	0.569	S	S	.	*			trans	-122.7	51.8	153.9	-80.2	-177.9	0	0	0	111.9	D1074 L1076 A1172 L1176	L1046-D1074 VanDerWaalsContact CB-O 3.29Å; L1046-D1074 WeakPolarHBondContact CB-O 3.31Å; L1046-D1074 HydrophobicContact CD1-CB 3.79Å; L1046-D1074 VanDerWaalsContact CD1-O 3.3Å; L1046-D1074 WeakPolarHBondContact CD1-O 3.35Å; L1046-D1074 WeakPolarHBondContact CG-O 3.3Å; L1046-L1076 HydrophobicContact CD1-CD2 4.36Å; L1046-L1076 HydrophobicContact CD1-CG 4.33Å; L1046-L1076 HydrophobicContact CD2-CD1 3.86Å; L1046-L1076 HydrophobicContact CD2-CD2 4.09Å; L1046-L1076 HydrophobicContact CD2-CG 3.86Å; L1046-L1076 HydrophobicContact CG-CD1 4.41Å; L1046-L1076 HydrophobicContact CG-CD2 4.46Å; L1046-L1076 HydrophobicContact CG-CG 4Å; L1046-A1172 HydrophobicContact CD1-CB 4.08Å; L1046-L1176 HydrophobicContact CD2-CD2 3.98Å
1047	V	32.7	Very low	35.3	Very low	116 Å²	116	112.4 Å²	112.4	70%	0.703	59%	0.589	S	S	*	*			trans	-91.1	122.3	166.2	-172.9	0	0	0	0	107.8	H1049	V1047-H1049 PolarHBondContact O-N 2.88Å
1048	D	29.9	Very low	34.4	Very low	93 Å²	93	110.2 Å²	110.2	50%	0.497	59%	0.585	S	S	.	*			trans	-68.5	123.3	171.5	-93.5	-40.4	0	0	0	108.7	N1050 R1179	D1048-N1050 PolarHBondContact O-N 2.84Å; D1048-R1179 IonicContact OD1-NH1 3.11Å; D1048-R1179 PolarHBondContact OD1-NH1 3.31Å; D1048-R1179 VanDerWaalsContact OD1-NH1 3.1Å; D1048-R1179 IonicContact OD2-CZ 2.78Å; D1048-R1179 IonicContact OD2-NH1 3.85Å; D1048-R1179 PolarHBondContact OD2-NH1 3.09Å
1049	H	34	Very low	33.7	Very low	168 Å²	168	116.9 Å²	116.9	78%	0.778	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	38	-173.4	-112.9	-47.8	0	0	0	113.6	V1047	V1047-H1049 PolarHBondContact O-N 2.88Å
1050	N	32.1	Very low	32.9	Very low	97 Å²	97	116.6 Å²	116.6	52%	0.519	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.2	-6.4	-169.2	-74.9	-40.3	0	0	0	115.5	S462 D1048	S462-N1050 WeakPolarHBondContact CB-OD1 3.29Å; S462-N1050 PolarHBondContact OG-OD1 3.25Å; D1048-N1050 PolarHBondContact O-N 2.84Å
1051	D	27.2	Very low	32.2	Very low	153 Å²	153	119.2 Å²	119.2	82%	0.818	66%	0.658	S	S	*	*			trans	-99.9	10.6	-175.4	-87.8	-41.1	0	0	0	115.5	Q1053	D1051-Q1053 PolarHBondContact O-N 3.1Å
1052	D	30.8	Very low	31.7	Very low	142 Å²	142	122.6 Å²	122.6	76%	0.759	68%	0.679	S	S	*	*			trans	-73	39.1	172.3	-76.9	-49	0	0	0	113.3
1053	Q	29.8	Very low	31.4	Very low	159 Å²	159	126.3 Å²	126.3	74%	0.743	70%	0.702	S	S	*	*			trans	-140.2	64.9	169.1	-72	-158.6	-0.5	0	0	112.9	D1051	D1051-Q1053 PolarHBondContact O-N 3.1Å
1054	R	26.8	Very low	30.9	Very low	236 Å²	236	129.9 Å²	129.9	89%	0.891	73%	0.727	S	S	*	*			trans	-112.7	119.2	149	-101.3	-171.5	177.3	-139.2	0.9	109.6	S1056	R1054-S1056 PolarHBondContact O-N 2.97Å
1055	P	29.1	Very low	30.6	Very low	113 Å²	113	133 Å²	133	73%	0.734	74%	0.744	S	S	*	*			trans	-66.9	132.5	167.4	29.1	-32.3	0	0	0	109.1
1056	S	31.4	Very low	30	Very low	122 Å²	122	127.4 Å²	127.4	85%	0.853	75%	0.746	S	S	*	*			trans	-101	83.7	179.3	58.4	0	0	0	0	110.5	R1054	R1054-S1056 PolarHBondContact O-N 2.97Å
1057	D	30.7	Very low	29.7	Very low	138 Å²	138	129.7 Å²	129.7	74%	0.738	77%	0.766	S	S	*	*			trans	-93.8	146.1	170	-74.4	-53	0	0	0	111.7
1058	C	31.2	Very low	29.4	Very low	105 Å²	105	134.2 Å²	134.2	71%	0.709	78%	0.78	S	S	*	*	S	Bend	trans	45.9	111.2	168.3	63.8	0	0	0	0	120.6
1059	D	29.5	Very low	29.3	Very low	171 Å²	171	134 Å²	134	91%	0.914	79%	0.786	S	S	*	*			trans	66.6	160.2	134.3	-54.3	-33.1	0	0	0	120
1060	G	28.7	Very low	29	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	79%	0.788	S	S	*	*			trans	-148.5	172.5	-167.4	0	0	0	0	0	115.1
1061	T	29	Very low	29.1	Very low	151 Å²	151	134 Å²	134	93%	0.926	80%	0.8	S	S	*	*			trans	-159.1	152.3	161.9	2.7	0	0	0	0	108.9
1062	S	30.7	Very low	29.7	Very low	122 Å²	122	133.3 Å²	133.3	85%	0.853	79%	0.792	S	S	*	*			trans	-95.5	120.8	-174.2	55.2	0	0	0	0	112.5
1063	S	31.2	Very low	30.2	Very low	125 Å²	125	127.8 Å²	127.8	87%	0.874	77%	0.766	S	S	*	*			trans	-150.7	139.4	162.2	57.6	0	0	0	0	111.4
1064	S	29.3	Very low	31.1	Very low	102 Å²	102	121.7 Å²	121.7	71%	0.713	74%	0.738	S	S	*	*			trans	-91	167.2	-172.5	52.4	0	0	0	0	114.5
1065	N	27.3	Very low	32.4	Very low	163 Å²	163	114.2 Å²	114.2	87%	0.872	71%	0.714	S	S	*	*			trans	82.4	105.5	168.1	-53.1	-16.8	0	0	0	116.5
1066	G	25.8	Very low	33.8	Very low	72 Å²	72	111.4 Å²	111.4	74%	0.742	69%	0.692	S	S	*	*			trans	-171.4	100.6	170.2	0	0	0	0	0	113.3
1067	S	27.3	Very low	35.5	Very low	106 Å²	106	106.6 Å²	106.6	74%	0.741	66%	0.658	S	S	*	*			trans	40.2	98	161.5	57.2	0	0	0	0	119.5	S1069	S1067-S1069 PolarHBondContact O-N 2.75Å
1068	E	25.8	Very low	37.6	Very low	211 Å²	211	102.7 Å²	102.7	99%	0.986	64%	0.641	S	S	*	*			trans	-77.1	90.7	158.2	-67.7	-173	139.2	0	0	110.7
1069	S	27.2	Very low	40.2	Very low	89 Å²	89	99.2 Å²	99.2	62%	0.622	61%	0.614	S	S	*	*			trans	-154.7	147.2	171.2	54.7	0	0	0	0	112.8	S1067	S1067-S1069 PolarHBondContact O-N 2.75Å
1070	N	28	Very low	43.2	Very low	154 Å²	154	92.1 Å²	92.1	82%	0.824	58%	0.576	S	S	*	*	S	Bend	trans	71.3	56.9	173	-61.9	1.4	0	0	0	117.5
1071	S	33.9	Very low	46.2	Very low	110 Å²	110	89.5 Å²	89.5	77%	0.769	55%	0.545	S	S	*	.			trans	-141.2	42.5	157.5	78.3	0	0	0	0	113.8	A1073	S1071-A1073 PolarHBondContact O-N 3.46Å
1072	E	40.1	Very low	49.3	Very low	140 Å²	140	82.3 Å²	82.3	65%	0.654	50%	0.501	S	S	*	.			trans	-69.3	93.6	164.6	-76.8	-160.4	117.7	0	0	109.3	D1074	E1072-D1074 PolarHBondContact O-N 3.04Å
1073	A	42.5	Very low	52.2	Low	25 Å²	25	76.7 Å²	76.7	21%	0.207	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-68	116.1	171.2	0	0	0	0	0	109.4	L1044 S1071 Q1075	L1044-A1073 HydrophobicContact CD2-CB 3.73Å; S1071-A1073 PolarHBondContact O-N 3.46Å; A1073-Q1075 PolarHBondContact O-N 2.74Å
1074	D	48.3	Very low	55	Low	31 Å²	31	72.8 Å²	72.8	17%	0.166	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-67.2	134.2	178.6	-93.6	-29.9	0	0	0	111.2	L1046 E1072 R1169	L1046-D1074 VanDerWaalsContact CB-O 3.29Å; L1046-D1074 WeakPolarHBondContact CB-O 3.31Å; L1046-D1074 HydrophobicContact CD1-CB 3.79Å; L1046-D1074 VanDerWaalsContact CD1-O 3.3Å; L1046-D1074 WeakPolarHBondContact CD1-O 3.35Å; L1046-D1074 WeakPolarHBondContact CG-O 3.3Å; E1072-D1074 PolarHBondContact O-N 3.04Å; D1074-R1169 HydrophobicContact CB-CG 4.09Å; D1074-R1169 VanDerWaalsContact CG-CG 3.43Å; D1074-R1169 VanDerWaalsContact OD1-CG 3.24Å; D1074-R1169 WeakPolarHBondContact OD1-CG 3.41Å; D1074-R1169 IonicContact OD1-CZ 3.45Å; D1074-R1169 IonicContact OD1-NE 3.35Å; D1074-R1169 PolarHBondContact OD1-NE 2.93Å; D1074-R1169 IonicContact OD1-NH2 3.31Å; D1074-R1169 PolarHBondContact OD1-NH2 2.84Å
1075	Q	52.8	Low	57.9	Low	80 Å²	80	74.2 Å²	74.2	37%	0.374	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-86.3	124.2	-175.6	-169.8	173.9	22.3	0	0	110.9	A1042 A1073	A1042-Q1075 PolarHBondContact O-NE2 3.04Å; A1042-Q1075 VanDerWaalsContact O-NE2 3.09Å; A1073-Q1075 PolarHBondContact O-N 2.74Å
1076	L	58.1	Low	60.8	Low	53 Å²	53	70.1 Å²	70.1	28%	0.277	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-67.7	136.6	166.7	-71.9	165.8	0	0	0	109.7	L1046 L1173 L1176	L1046-L1076 HydrophobicContact CD1-CD2 4.36Å; L1046-L1076 HydrophobicContact CD1-CG 4.33Å; L1046-L1076 HydrophobicContact CD2-CD1 3.86Å; L1046-L1076 HydrophobicContact CD2-CD2 4.09Å; L1046-L1076 HydrophobicContact CD2-CG 3.86Å; L1046-L1076 HydrophobicContact CG-CD1 4.41Å; L1046-L1076 HydrophobicContact CG-CD2 4.46Å; L1046-L1076 HydrophobicContact CG-CG 4Å; L1076-L1173 HydrophobicContact CD2-CB 4.46Å; L1076-L1173 HydrophobicContact CD2-CD1 3.73Å; L1076-L1176 HydrophobicContact CD1-CD2 3.54Å; L1076-L1176 HydrophobicContact CD2-CD2 3.71Å; L1076-L1176 HydrophobicContact CG-CD2 4.23Å
1077	P	67.8	Low	63.7	Low	22 Å²	22	68.4 Å²	68.4	14%	0.143	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-74	140.1	-179.2	31	-29.2	0	0	0	109.5	Y1021 F1026 Q1079 L1173	Y1021-P1077 HydrophobicContact CD1-CB 4.47Å; Y1021-P1077 HydrophobicContact CD1-CG 3.77Å; Y1021-P1077 WeakPolarHBondContact CD1-O 3.42Å; Y1021-P1077 HydrophobicContact CG-CG 4.1Å; F1026-P1077 HydrophobicContact CE1-CB 4.09Å; F1026-P1077 HydrophobicContact CE1-CG 3.79Å; F1026-P1077 HydrophobicContact CZ-CB 4.35Å; F1026-P1077 HydrophobicContact CZ-CG 3.61Å; P1077-Q1079 PolarHBondContact O-N 3.11Å; P1077-L1173 HydrophobicContact CG-CD2 3.91Å
1078	C	74.9	Confident	66.5	Low	56 Å²	56	66.8 Å²	66.8	38%	0.378	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-53.1	136.8	174.4	-41.5	0	0	0	0	109.9	S408 L1080	S408-C1078 PolarHBondContact O-SG 2.91Å; C1078-L1080 PolarHBondContact O-N 3.31Å
1079	Q	87.1	Confident	69.1	Low	32 Å²	32	63.9 Å²	63.9	15%	0.15	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129	175.1	-177.4	174.4	-23.3	0	0	109.2	L406 P1018 K1019 Y1021 P1077	L406-Q1079 HydrophobicContact CD1-CG 4.11Å; P1018-Q1079 PolarHBondContact O-NE2 3.48Å; K1019-Q1079 HydrophobicContact CB-CG 4.26Å; Y1021-Q1079 HydrophobicContact CE1-CB 4.19Å; P1077-Q1079 PolarHBondContact O-N 3.11Å
1080	L	90.6	Very high	71.6	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	149.1	172.9	-63.4	-179.6	0	0	0	110.9	L1020 A1022 C1078 F1093	L1020-L1080 HydrophobicContact CB-CB 4.15Å; L1020-L1080 HydrophobicContact CD2-CB 4.06Å; L1020-L1080 HydrophobicContact CD2-CD1 4.33Å; L1020-L1080 HydrophobicContact CG-CB 4.08Å; L1020-L1080 HydrophobicContact CG-CD1 4.29Å; L1020-L1080 PolarHBondContact O-N 3Å; A1022-L1080 HydrophobicContact CB-CD1 3.88Å; C1078-L1080 PolarHBondContact O-N 3.31Å; L1080-F1093 HydrophobicContact CD1-CD1 4.24Å; L1080-F1093 HydrophobicContact CD1-CE1 4.02Å
1081	H	92.5	Very high	74.3	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.065	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-59.6	147.2	167.2	-88.7	-102.3	0	0	0	111.1	R403 L405 L406 S1083 Y1086 E1208	R403-H1081 PolarHBondContact O-CE1 3Å; R403-H1081 PolarHBondContact O-NE2 3.23Å; L405-H1081 PolarHBondContact N-NE2 3.45Å; L406-H1081 PolarHBondContact N-NE2 3.33Å; H1081-S1083 VanDerWaalsContact C-N 3.25Å; H1081-S1083 PolarHBondContact O-N 3.44Å; H1081-Y1086 HydrophobicContact CB-CD2 3.86Å; H1081-Y1086 HydrophobicContact CB-CE2 3.35Å; H1081-E1208 IonicContact CE1-OE2 3.96Å; H1081-E1208 IonicContact CG-OE1 3.49Å; H1081-E1208 IonicContact CG-OE2 3.12Å; H1081-E1208 IonicContact ND1-OE1 3.73Å; H1081-E1208 PolarHBondContact ND1-OE1 3.46Å; H1081-E1208 IonicContact ND1-OE2 3.87Å; H1081-E1208 PolarHBondContact ND1-OE2 3.35Å
1082	L	93.9	Very high	77	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-86.9	61.2	-173.1	-67.8	-177.9	0	0	0	112.1	Y1017 P1018 L1020 L1095 M1206 V1207 E1208	Y1017-L1082 HydrophobicContact CD1-CD1 4.08Å; Y1017-L1082 HydrophobicContact CD2-CD1 3.69Å; Y1017-L1082 HydrophobicContact CD2-CG 4.48Å; Y1017-L1082 HydrophobicContact CE1-CD1 4.07Å; Y1017-L1082 HydrophobicContact CE1-CG 4.15Å; Y1017-L1082 HydrophobicContact CE2-CB 4.13Å; Y1017-L1082 HydrophobicContact CE2-CD1 3.63Å; Y1017-L1082 HydrophobicContact CE2-CG 3.93Å; Y1017-L1082 HydrophobicContact CG-CD1 3.9Å; Y1017-L1082 PolarHBondContact OH-N 2.89Å; P1018-L1082 HydrophobicContact CB-CD1 3.92Å; P1018-L1082 HydrophobicContact CB-CD2 4.21Å; P1018-L1082 HydrophobicContact CG-CD1 4.25Å; P1018-L1082 WeakPolarHBondContact O-CD1 3.3Å; L1020-L1082 HydrophobicContact CB-CD2 3.83Å; L1082-L1095 HydrophobicContact CD2-CD1 3.93Å; L1082-M1206 HydrophobicContact CD2-CE 4.38Å; L1082-M1206 CarbonylContact O-C 3.6Å; L1082-M1206 VanDerWaalsContact O-CA 3.22Å; L1082-M1206 WeakPolarHBondContact O-CA 3.29Å; L1082-V1207 HydrophobicContact CB-CG2 4.05Å; L1082-V1207 HydrophobicContact CD1-CG2 3.65Å; L1082-V1207 PolarHBondContact O-N 2.95Å; L1082-E1208 PolarHBondContact N-OE1 3.5Å; L1082-E1208 WeakPolarHBondContact O-CB 3.43Å; L1082-E1208 PolarHBondContact O-N 3.49Å; L1082-E1208 VanDerWaalsContact O-N 3.08Å
1083	S	92.4	Very high	79.5	Confident	5 Å²	5	43.5 Å²	43.5	4%	0.035	23%	0.229	C	C	.	.	S	Bend	trans	-135.4	138.1	176.5	170.6	0	0	0	0	110.7	H1081 Q1085 Y1086 D1209	H1081-S1083 VanDerWaalsContact C-N 3.25Å; H1081-S1083 PolarHBondContact O-N 3.44Å; S1083-Q1085 PolarHBondContact O-N 3.41Å; S1083-Q1085 WeakPolarHBondContact OG-CG 3.3Å; S1083-Q1085 PolarHBondContact OG-N 3.19Å; S1083-Q1085 PolarHBondContact OG-NE2 2.91Å; S1083-Y1086 PolarHBondContact O-N 2.71Å; S1083-Y1086 VanDerWaalsContact O-N 3.09Å; S1083-D1209 WeakPolarHBondContact CA-OD1 3.37Å; S1083-D1209 WeakPolarHBondContact CA-OD2 3.48Å; S1083-D1209 WeakPolarHBondContact CB-OD1 3.27Å; S1083-D1209 PolarHBondContact OG-OD1 3.23Å
1084	A	89.3	Confident	82	Confident	42 Å²	42	42.3 Å²	42.3	35%	0.347	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-58.8	-18	177	0	0	0	0	0	113.3	Y1086 I1087 D1209	A1084-Y1086 PolarHBondContact O-N 3.1Å; A1084-Y1086 VanDerWaalsContact O-N 3.16Å; A1084-I1087 PolarHBondContact O-N 3.46Å; A1084-D1209 WeakPolarHBondContact CB-OD2 3.31Å; A1084-D1209 PolarHBondContact N-OD2 2.79Å
1085	Q	89.4	Confident	84.1	Confident	132 Å²	132	40.9 Å²	40.9	62%	0.617	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-60.1	-22.6	173.7	79	-170.2	-45.7	0	0	113.4	S1083	S1083-Q1085 PolarHBondContact O-N 3.41Å; S1083-Q1085 WeakPolarHBondContact OG-CG 3.3Å; S1083-Q1085 PolarHBondContact OG-N 3.19Å; S1083-Q1085 PolarHBondContact OG-NE2 2.91Å
1086	Y	88.8	Confident	86.1	Confident	77 Å²	77	37.1 Å²	37.1	30%	0.302	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-90.1	0.1	177.2	-62.2	-76.2	0	0	0	113.7	H1081 S1083 A1084 F1093	H1081-Y1086 HydrophobicContact CB-CD2 3.86Å; H1081-Y1086 HydrophobicContact CB-CE2 3.35Å; S1083-Y1086 PolarHBondContact O-N 2.71Å; S1083-Y1086 VanDerWaalsContact O-N 3.09Å; A1084-Y1086 PolarHBondContact O-N 3.1Å; A1084-Y1086 VanDerWaalsContact O-N 3.16Å; Y1086-F1093 WeakPolarHBondContact O-CE1 3.44Å; Y1086-F1093 WeakPolarHBondContact O-CZ 3.26Å
1087	I	88.1	Confident	87.7	Confident	37 Å²	37	35.5 Å²	35.5	19%	0.19	19%	0.186	C	C	.	.			trans	-107.5	113	-172.8	-57	-176.3	0	0	0	110.1	L1020 A1084 F1093 L1104 F1202 M1206	L1020-I1087 HydrophobicContact CD2-CD1 4.1Å; L1020-I1087 HydrophobicContact CD2-CG1 4.09Å; A1084-I1087 PolarHBondContact O-N 3.46Å; I1087-F1093 HydrophobicContact CB-CE2 4.44Å; I1087-F1093 HydrophobicContact CB-CZ 4.47Å; I1087-F1093 HydrophobicContact CG2-CD2 4.03Å; I1087-F1093 HydrophobicContact CG2-CE2 3.86Å; I1087-F1093 HydrophobicContact CG2-CZ 4.38Å; I1087-L1104 HydrophobicContact CG2-CD2 3.88Å; I1087-F1202 HydrophobicContact CD1-CE1 3.48Å; I1087-F1202 VanDerWaalsContact CD1-CE1 3.48Å; I1087-F1202 HydrophobicContact CD1-CZ 3.71Å; I1087-M1206 HydrophobicContact CD1-CE 4.48Å; I1087-M1206 HydrophobicContact CD1-SD 3.86Å
1088	T	85.6	Confident	88.7	Confident	71 Å²	71	34.5 Å²	34.5	44%	0.436	18%	0.18	S	C	.	.			trans	-95.2	146.1	-177.8	55	0	0	0	0	111.9	S1090 G1091	T1088-S1090 VanDerWaalsContact C-N 3.26Å; T1088-S1090 PolarHBondContact O-N 3.29Å; T1088-G1091 PolarHBondContact O-N 2.99Å; T1088-G1091 WeakPolarHBondContact OG1-CA 3.43Å; T1088-G1091 PolarHBondContact OG1-N 3.38Å
1089	R	80.6	Confident	89.3	Confident	151 Å²	151	34 Å²	34	57%	0.57	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.9	-179.2	-75.7	-175.3	175.1	-174.2	-3.6	114.8	G1106 C1107 G1108 D1110	R1089-G1106 CarbonylContact O-C 3.59Å; R1089-G1106 WeakPolarHBondContact O-CA 3.36Å; R1089-C1107 CarbonylContact O-C 3.57Å; R1089-C1107 PolarHBondContact O-N 2.88Å; R1089-G1108 PolarHBondContact O-N 2.83Å; R1089-G1108 VanDerWaalsContact O-N 3.14Å; R1089-D1110 IonicContact NH1-OD2 3.07Å; R1089-D1110 PolarHBondContact NH1-OD2 2.95Å
1090	S	79.6	Confident	89.5	Confident	58 Å²	58	33 Å²	33	41%	0.406	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.6	174.5	48.6	0	0	0	0	113.8	T1088 D1118	T1088-S1090 VanDerWaalsContact C-N 3.26Å; T1088-S1090 PolarHBondContact O-N 3.29Å; S1090-D1118 WeakPolarHBondContact CB-OD2 3.39Å
1091	G	84.8	Confident	89.6	Confident	2 Å²	2	32 Å²	32	2%	0.021	16%	0.163	C	C	.	.			trans	-79.6	154.1	-175.2	0	0	0	0	0	113.5	T1088 G1106	T1088-G1091 PolarHBondContact O-N 2.99Å; T1088-G1091 WeakPolarHBondContact OG1-CA 3.43Å; T1088-G1091 PolarHBondContact OG1-N 3.38Å; G1091-G1106 WeakPolarHBondContact O-CA 3.45Å; G1091-G1106 PolarHBondContact O-N 3.36Å
1092	V	90	Very high	89.6	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.7	166.4	-169.7	0	0	0	0	108.7	V1023 H1024 L1103 L1104 V1105 I1121 L1122 L1125	V1023-V1092 HydrophobicContact CG2-CB 4.13Å; V1023-V1092 HydrophobicContact CG2-CG1 3.73Å; V1023-V1092 PolarHBondContact N-O 3.37Å; H1024-V1092 HydrophobicContact CB-CB 4.12Å; H1024-V1092 HydrophobicContact CB-CG2 4.44Å; H1024-V1092 PolarHBondContact N-O 2.74Å; H1024-V1092 VanDerWaalsContact N-O 3.13Å; H1024-V1092 PolarHBondContact ND1-N 3.4Å; H1024-V1092 PolarHBondContact ND1-O 3.15Å; V1092-L1103 HydrophobicContact CG1-CD1 3.84Å; V1092-L1104 WeakPolarHBondContact CA-O 3.21Å; V1092-V1105 HydrophobicContact CG1-CG2 4.28Å; V1092-I1121 HydrophobicContact CG2-CG2 4.31Å; V1092-L1122 HydrophobicContact CG2-CD2 3.68Å; V1092-L1125 HydrophobicContact CB-CD1 4.07Å; V1092-L1125 HydrophobicContact CG1-CD1 4.2Å; V1092-L1125 HydrophobicContact CG2-CD1 4.21Å
1093	F	92.7	Very high	89.6	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.8	-173.4	-61.5	-92.5	0	0	0	111.3	L1020 Y1021 A1022 H1024 L1080 Y1086 I1087 L1103 L1104	L1020-F1093 HydrophobicContact CD1-CB 4.02Å; L1020-F1093 HydrophobicContact CD1-CD1 4.35Å; Y1021-F1093 CarbonylContact O-C 3.55Å; Y1021-F1093 VanDerWaalsContact O-CA 3.29Å; Y1021-F1093 WeakPolarHBondContact O-CA 3.42Å; A1022-F1093 HydrophobicContact CB-CD1 4.3Å; A1022-F1093 HydrophobicContact CB-CE1 4.1Å; H1024-F1093 AromaticContact CE1-CE1 3.74Å; H1024-F1093 AromaticContact CE1-CZ 3.59Å; L1080-F1093 HydrophobicContact CD1-CD1 4.24Å; L1080-F1093 HydrophobicContact CD1-CE1 4.02Å; Y1086-F1093 WeakPolarHBondContact O-CE1 3.44Å; Y1086-F1093 WeakPolarHBondContact O-CZ 3.26Å; I1087-F1093 HydrophobicContact CB-CE2 4.44Å; I1087-F1093 HydrophobicContact CB-CZ 4.47Å; I1087-F1093 HydrophobicContact CG2-CD2 4.03Å; I1087-F1093 HydrophobicContact CG2-CE2 3.86Å; I1087-F1093 HydrophobicContact CG2-CZ 4.38Å; F1093-L1103 CarbonylContact O-C 3.53Å; F1093-L1103 WeakPolarHBondContact O-CA 3.36Å; F1093-L1104 HydrophobicContact CB-CB 4.42Å; F1093-L1104 PolarHBondContact N-O 3.41Å; F1093-L1104 PolarHBondContact O-N 2.81Å
1094	L	94.1	Very high	89.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.8	171.4	-174.4	74.2	0	0	0	109	L1020 Y1021 V1023 L1101 L1102 L1103 L1170 L1173 I1174 I1177 L1187	L1020-L1094 CarbonylContact C-O 3.37Å; Y1021-L1094 PolarHBondContact N-O 2.98Å; Y1021-L1094 PolarHBondContact O-N 2.84Å; V1023-L1094 HydrophobicContact CG1-CB 3.59Å; V1023-L1094 HydrophobicContact CG2-CB 4.44Å; L1094-L1101 HydrophobicContact CD1-CB 4.26Å; L1094-L1102 CarbonylContact C-O 3.58Å; L1094-L1102 WeakPolarHBondContact CA-O 3.33Å; L1094-L1103 HydrophobicContact CB-CD1 4.46Å; L1094-L1103 HydrophobicContact CD1-CB 4.14Å; L1094-L1103 HydrophobicContact CD1-CD1 4.19Å; L1094-L1170 HydrophobicContact CD2-CD1 4.42Å; L1094-L1173 HydrophobicContact CD2-CD2 3.73Å; L1094-L1173 HydrophobicContact CD2-CG 4.15Å; L1094-I1174 HydrophobicContact CD1-CD1 4.39Å; L1094-I1174 HydrophobicContact CD2-CD1 4.25Å; L1094-I1174 HydrophobicContact CD2-CG1 3.76Å; L1094-I1177 HydrophobicContact CD2-CD1 4.37Å; L1094-L1187 HydrophobicContact CD1-CD1 3.93Å
1095	L	94.2	Very high	89.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.4	178	178.6	67.2	0	0	0	109.9	P1018 K1019 L1020 L1082 T1097 L1101 L1102 F1202 C1205 M1206	P1018-L1095 HydrophobicContact CB-CD1 3.74Å; P1018-L1095 HydrophobicContact CB-CG 4.48Å; K1019-L1095 WeakPolarHBondContact O-CA 3.42Å; L1020-L1095 HydrophobicContact CB-CD1 4.04Å; L1020-L1095 HydrophobicContact CD1-CB 4.28Å; L1020-L1095 HydrophobicContact CD1-CD1 4.3Å; L1082-L1095 HydrophobicContact CD2-CD1 3.93Å; L1095-T1097 HydrophobicContact CD2-CG2 4.19Å; L1095-T1097 HydrophobicContact CG-CG2 4.13Å; L1095-L1101 CarbonylContact O-C 3.3Å; L1095-L1101 WeakPolarHBondContact O-CA 3.39Å; L1095-L1102 HydrophobicContact CB-CB 4.32Å; L1095-L1102 HydrophobicContact CD2-CD1 4.4Å; L1095-L1102 PolarHBondContact N-O 3.35Å; L1095-L1102 PolarHBondContact O-N 2.84Å; L1095-F1202 HydrophobicContact CB-CE2 3.97Å; L1095-F1202 HydrophobicContact CD2-CD2 3.79Å; L1095-F1202 HydrophobicContact CD2-CE2 3.71Å; L1095-F1202 HydrophobicContact CD2-CG 4.43Å; L1095-F1202 HydrophobicContact CD2-CZ 4.29Å; L1095-F1202 HydrophobicContact CG-CE2 4.49Å; L1095-C1205 HydrophobicContact CD2-CB 3.74Å; L1095-M1206 HydrophobicContact CD1-CE 4.34Å; L1095-M1206 HydrophobicContact CD2-CE 3.98Å
1096	D	93.9	Very high	89.2	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.011	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.9	168.5	174.2	18	0	0	0	109.2	P1018 K1019 G1098 L1101 I1177 R1181	P1018-D1096 CarbonylContact C-O 3.46Å; P1018-D1096 VanDerWaalsContact CA-O 3.3Å; P1018-D1096 WeakPolarHBondContact CA-O 3.29Å; P1018-D1096 WeakPolarHBondContact CB-O 3.47Å; K1019-D1096 HydrophobicContact CB-CB 4.3Å; K1019-D1096 PolarHBondContact N-O 3.37Å; K1019-D1096 PolarHBondContact O-N 2.62Å; D1096-G1098 VanDerWaalsContact C-N 3.34Å; D1096-G1098 WeakPolarHBondContact OD1-CA 3.47Å; D1096-G1098 PolarHBondContact OD1-N 2.71Å; D1096-L1101 HydrophobicContact CB-CD2 3.83Å; D1096-I1177 HydrophobicContact CB-CD1 4.39Å; D1096-R1181 IonicContact OD2-CZ 3.7Å; D1096-R1181 IonicContact OD2-NE 3.35Å; D1096-R1181 IonicContact OD2-NH2 3.6Å; D1096-R1181 PolarHBondContact OD2-NH2 2.8Å
1097	T	92.4	Very high	88.3	Confident	18 Å²	18	21.5 Å²	21.5	11%	0.11	11%	0.114	C	C	.	.			trans	-89.8	1.3	177.3	71.7	0	0	0	0	113.1	L1095 E1099 L1100 L1102	L1095-T1097 HydrophobicContact CD2-CG2 4.19Å; L1095-T1097 HydrophobicContact CG-CG2 4.13Å; T1097-E1099 PolarHBondContact O-N 3.09Å; T1097-E1099 PolarHBondContact OG1-N 3.45Å; T1097-L1100 PolarHBondContact N-O 2.94Å; T1097-L1100 PolarHBondContact OG1-N 3.22Å; T1097-L1100 PolarHBondContact OG1-O 2.92Å; T1097-L1102 HydrophobicContact CG2-CD1 4.38Å; T1097-L1102 HydrophobicContact CG2-CG 4.35Å
1098	G	88.6	Confident	87.1	Confident	1 Å²	1	21 Å²	21	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	83.2	-25.7	-169.4	0	0	0	0	0	113.8	D1096 N1185	D1096-G1098 VanDerWaalsContact C-N 3.34Å; D1096-G1098 WeakPolarHBondContact OD1-CA 3.47Å; D1096-G1098 PolarHBondContact OD1-N 2.71Å; G1098-N1185 PolarHBondContact O-ND2 3.49Å
1099	E	87.6	Confident	85.6	Confident	45 Å²	45	24.4 Å²	24.4	21%	0.21	13%	0.129	C	C	.	.	S	Bend	trans	-112.5	-38.9	178.4	-54.6	-174.6	147	0	0	111.9	R1003 L1015 T1097 N1185	R1003-E1099 IonicContact NE-OE1 2.77Å; L1015-E1099 HydrophobicContact CD2-CG 3.58Å; T1097-E1099 PolarHBondContact O-N 3.09Å; T1097-E1099 PolarHBondContact OG1-N 3.45Å; E1099-N1185 VanDerWaalsContact C-ND2 3.28Å; E1099-N1185 PolarHBondContact N-ND2 2.85Å; E1099-N1185 WeakPolarHBondContact O-CB 3.39Å; E1099-N1185 PolarHBondContact O-ND2 2.87Å
1100	L	90.7	Very high	84	Confident	13 Å²	13	23.2 Å²	23.2	7%	0.068	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.1	-179.2	-60.1	174.8	0	0	0	110.7	I795 T1097 L1102 A1186 V1188 L1201	I795-L1100 HydrophobicContact CG2-CD1 3.88Å; I795-L1100 HydrophobicContact CG2-CD2 3.99Å; T1097-L1100 PolarHBondContact N-O 2.94Å; T1097-L1100 PolarHBondContact OG1-N 3.22Å; T1097-L1100 PolarHBondContact OG1-O 2.92Å; L1100-L1102 HydrophobicContact CB-CD2 3.96Å; L1100-L1102 HydrophobicContact CD1-CD2 4.21Å; L1100-A1186 HydrophobicContact CD2-CB 3.92Å; L1100-V1188 HydrophobicContact CD2-CG2 4.43Å; L1100-L1201 HydrophobicContact CD1-CD2 4.21Å
1101	L	92.5	Very high	82.2	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	105.1	167	-55.6	179.8	0	0	0	107.9	L1094 L1095 D1096 I1174 I1177 N1185 A1186 L1187 V1188	L1094-L1101 HydrophobicContact CD1-CB 4.26Å; L1095-L1101 CarbonylContact O-C 3.3Å; L1095-L1101 WeakPolarHBondContact O-CA 3.39Å; D1096-L1101 HydrophobicContact CB-CD2 3.83Å; L1101-I1174 HydrophobicContact CD1-CG1 4.27Å; L1101-I1174 HydrophobicContact CD1-CG2 3.9Å; L1101-I1177 HydrophobicContact CD2-CD1 4.33Å; L1101-I1177 HydrophobicContact CD2-CG2 4.01Å; L1101-N1185 HydrophobicContact CD1-CB 4.41Å; L1101-N1185 HydrophobicContact CD2-CB 4.33Å; L1101-N1185 HydrophobicContact CG-CB 3.89Å; L1101-A1186 PolarHBondContact N-O 3.16Å; L1101-L1187 HydrophobicContact CB-CD1 3.88Å; L1101-L1187 WeakPolarHBondContact O-CA 3.4Å; L1101-V1188 PolarHBondContact O-N 3.01Å
1102	L	92.4	Very high	80.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116.4	179.5	-50.7	-173.7	0	0	0	109.8	L1094 L1095 T1097 L1100 V1188 M1190 L1201 F1202	L1094-L1102 CarbonylContact C-O 3.58Å; L1094-L1102 WeakPolarHBondContact CA-O 3.33Å; L1095-L1102 HydrophobicContact CB-CB 4.32Å; L1095-L1102 HydrophobicContact CD2-CD1 4.4Å; L1095-L1102 PolarHBondContact N-O 3.35Å; L1095-L1102 PolarHBondContact O-N 2.84Å; T1097-L1102 HydrophobicContact CG2-CD1 4.38Å; T1097-L1102 HydrophobicContact CG2-CG 4.35Å; L1100-L1102 HydrophobicContact CB-CD2 3.96Å; L1100-L1102 HydrophobicContact CD1-CD2 4.21Å; L1102-V1188 WeakPolarHBondContact CA-O 3.14Å; L1102-V1188 HydrophobicContact CD2-CB 3.81Å; L1102-V1188 HydrophobicContact CD2-CG1 4.26Å; L1102-V1188 HydrophobicContact CD2-CG2 4.29Å; L1102-M1190 HydrophobicContact CB-SD 4.42Å; L1102-L1201 HydrophobicContact CD1-CD2 4.31Å; L1102-L1201 HydrophobicContact CD1-CG 4.32Å; L1102-F1202 HydrophobicContact CB-CD2 4.18Å; L1102-F1202 HydrophobicContact CD1-CB 4.21Å; L1102-F1202 HydrophobicContact CD1-CD2 4.01Å
1103	L	93.2	Very high	77.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	96.7	175.4	-177.7	63.8	0	0	0	109.2	V1023 V1092 F1093 L1094 I1126 F1141 L1187 V1188 M1190	V1023-L1103 HydrophobicContact CG2-CD1 4Å; V1092-L1103 HydrophobicContact CG1-CD1 3.84Å; F1093-L1103 CarbonylContact O-C 3.53Å; F1093-L1103 WeakPolarHBondContact O-CA 3.36Å; L1094-L1103 HydrophobicContact CB-CD1 4.46Å; L1094-L1103 HydrophobicContact CD1-CB 4.14Å; L1094-L1103 HydrophobicContact CD1-CD1 4.19Å; L1103-I1126 HydrophobicContact CD2-CG2 3.97Å; L1103-F1141 HydrophobicContact CD2-CD1 4.49Å; L1103-F1141 HydrophobicContact CD2-CE1 4.48Å; L1103-L1187 HydrophobicContact CB-CD1 4.13Å; L1103-V1188 PolarHBondContact N-O 3.02Å; L1103-M1190 PolarHBondContact O-N 3Å
1104	L	91.6	Very high	75.6	Confident	8 Å²	8	37.4 Å²	37.4	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.7	177.5	173.3	63	0	0	0	110.5	I1087 V1092 F1093 M1190 H1192 F1202	I1087-L1104 HydrophobicContact CG2-CD2 3.88Å; V1092-L1104 WeakPolarHBondContact CA-O 3.21Å; F1093-L1104 HydrophobicContact CB-CB 4.42Å; F1093-L1104 PolarHBondContact N-O 3.41Å; F1093-L1104 PolarHBondContact O-N 2.81Å; L1104-M1190 WeakPolarHBondContact CA-O 3.35Å; L1104-M1190 HydrophobicContact CB-CG 4.14Å; L1104-M1190 HydrophobicContact CD1-CE 4.3Å; L1104-M1190 HydrophobicContact CD1-CG 3.98Å; L1104-M1190 HydrophobicContact CD1-SD 4.43Å; L1104-H1192 HydrophobicContact CD1-CB 4.4Å; L1104-F1202 HydrophobicContact CB-CE2 3.94Å; L1104-F1202 HydrophobicContact CB-CZ 4.32Å; L1104-F1202 HydrophobicContact CD2-CD1 4.47Å; L1104-F1202 HydrophobicContact CD2-CE1 3.83Å; L1104-F1202 HydrophobicContact CD2-CE2 4.01Å; L1104-F1202 HydrophobicContact CD2-CZ 3.58Å
1105	V	89.1	Confident	73.6	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.9	172	177.2	0	0	0	0	109.4	V1092 L1122 I1126 P1131 L1134 M1190 R1191 H1192	V1092-V1105 HydrophobicContact CG1-CG2 4.28Å; V1105-L1122 HydrophobicContact CG1-CD2 3.75Å; V1105-I1126 HydrophobicContact CG2-CD1 4.09Å; V1105-P1131 HydrophobicContact CG1-CB 4.14Å; V1105-P1131 HydrophobicContact CG1-CG 4.21Å; V1105-L1134 HydrophobicContact CB-CD1 4.04Å; V1105-L1134 HydrophobicContact CG1-CD1 3.97Å; V1105-L1134 HydrophobicContact CG2-CD1 3.88Å; V1105-M1190 PolarHBondContact N-O 3.41Å; V1105-R1191 CarbonylContact O-C 3.54Å; V1105-R1191 WeakPolarHBondContact O-CA 3.49Å; V1105-H1192 PolarHBondContact O-N 3.33Å
1106	G	82.6	Confident	71.6	Confident	8 Å²	8	45.2 Å²	45.2	8%	0.082	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.4	147.9	173	0	0	0	0	0	113.4	R1089 G1091 P1131	R1089-G1106 CarbonylContact O-C 3.59Å; R1089-G1106 WeakPolarHBondContact O-CA 3.36Å; G1091-G1106 WeakPolarHBondContact O-CA 3.45Å; G1091-G1106 PolarHBondContact O-N 3.36Å; G1106-P1131 WeakPolarHBondContact O-CG 3.43Å
1107	C	70.5	Confident	69.8	Low	31 Å²	31	50.2 Å²	50.2	21%	0.209	31%	0.309	C	S	.	.			trans	-122	74.5	174.8	-60.6	0	0	0	0	108.6	R1089 H1192 D1193	R1089-C1107 CarbonylContact O-C 3.57Å; R1089-C1107 PolarHBondContact O-N 2.88Å; C1107-H1192 HydrophobicContact CB-CB 4.44Å; C1107-D1193 PolarHBondContact SG-OD1 3.37Å; C1107-D1193 VanDerWaalsContact SG-OD1 3.36Å
1108	G	63.2	Low	68.1	Low	27 Å²	27	51.4 Å²	51.4	28%	0.278	32%	0.315	S	S	.	.			trans	-85.2	113	176	0	0	0	0	0	111.2	R1089	R1089-G1108 PolarHBondContact O-N 2.83Å; R1089-G1108 VanDerWaalsContact O-N 3.14Å
1109	E	52.8	Low	67	Low	143 Å²	143	53 Å²	53	67%	0.668	33%	0.326	S	S	*	.			trans	-94.5	-12.7	170	-53.6	-159.6	139.4	0	0	111.8	V1111 R1132	E1109-V1111 PolarHBondContact O-N 3.02Å; E1109-R1132 IonicContact OE1-CZ 2.96Å; E1109-R1132 IonicContact OE1-NE 2.7Å; E1109-R1132 IonicContact OE1-NH2 3.66Å; E1109-R1132 PolarHBondContact OE1-NH2 2.92Å
1110	D	47.9	Very low	66.5	Low	126 Å²	126	54 Å²	54	67%	0.674	33%	0.332	S	S	*	.			trans	-74.9	21.9	-179	-52.7	-61.1	0	0	0	113.7	R1089	R1089-D1110 IonicContact NH1-OD2 3.07Å; R1089-D1110 PolarHBondContact NH1-OD2 2.95Å
1111	V	42.1	Very low	66.1	Low	52 Å²	52	54.9 Å²	54.9	32%	0.315	34%	0.337	S	S	.	.	S	Bend	trans	-102.5	122.6	-175.9	178.1	0	0	0	0	109.8	E1109	E1109-V1111 PolarHBondContact O-N 3.02Å
1112	P	40.7	Very low	65.6	Low	96 Å²	96	55.4 Å²	55.4	62%	0.623	34%	0.339	S	S	*	.			trans	-64.8	140	-176.5	25.5	-33.9	0	0	0	111.8	G1114 S1115	P1112-G1114 PolarHBondContact O-N 2.91Å; P1112-S1115 PolarHBondContact O-N 2.85Å
1113	P	39.4	Very low	65.2	Low	145 Å²	145	61.3 Å²	61.3	94%	0.942	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	108.2	-176.2	25.2	-33.9	0	0	0	110.7
1114	G	47.9	Very low	64.7	Low	70 Å²	70	64.3 Å²	64.3	72%	0.722	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	139.8	-19.6	-173.6	0	0	0	0	0	114.1	P1112 N1116	P1112-G1114 PolarHBondContact O-N 2.91Å; G1114-N1116 PolarHBondContact O-N 3.44Å; G1114-N1116 VanDerWaalsContact O-N 3.16Å
1115	S	51.5	Low	64.4	Low	49 Å²	49	64 Å²	64	34%	0.343	37%	0.374	S	S	.	.			trans	-82.2	87.3	174.2	174.3	0	0	0	0	112	P1112 N1117	P1112-S1115 PolarHBondContact O-N 2.85Å; S1115-N1117 PolarHBondContact O-N 2.78Å
1116	N	52.1	Low	64.2	Low	115 Å²	115	64 Å²	64	62%	0.615	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.1	178.6	-70.9	-13.4	0	0	0	114.8	G1114 D1118 S1119 D1120	G1114-N1116 PolarHBondContact O-N 3.44Å; G1114-N1116 VanDerWaalsContact O-N 3.16Å; N1116-D1118 VanDerWaalsContact C-N 3.33Å; N1116-D1118 PolarHBondContact O-N 3.47Å; N1116-D1118 VanDerWaalsContact O-N 3.17Å; N1116-S1119 WeakPolarHBondContact O-CB 3.34Å; N1116-S1119 PolarHBondContact O-N 2.86Å; N1116-D1120 PolarHBondContact O-N 2.9Å
1117	N	56.2	Low	64.1	Low	106 Å²	106	66.4 Å²	66.4	57%	0.567	40%	0.399	S	S	*	.	H	α-helix	trans	-51.6	-43.2	-168.1	-65	-23.9	0	0	0	114.4	S1115 S1119 D1120 I1121	S1115-N1117 PolarHBondContact O-N 2.78Å; N1117-S1119 VanDerWaalsContact C-N 3.33Å; N1117-S1119 PolarHBondContact O-N 3.06Å; N1117-D1120 PolarHBondContact O-N 3.44Å; N1117-I1121 WeakPolarHBondContact O-CG1 3.41Å; N1117-I1121 PolarHBondContact O-N 3.27Å
1118	D	56.8	Low	64.5	Low	44 Å²	44	65.6 Å²	65.6	24%	0.235	39%	0.392	C	S	.	.	H	α-helix	trans	-69.4	-32.8	-176.3	-70.8	13.9	0	0	0	111.8	S1090 N1116 L1122	S1090-D1118 WeakPolarHBondContact CB-OD2 3.39Å; N1116-D1118 VanDerWaalsContact C-N 3.33Å; N1116-D1118 PolarHBondContact O-N 3.47Å; N1116-D1118 VanDerWaalsContact O-N 3.17Å; D1118-L1122 WeakPolarHBondContact O-CG 3.29Å; D1118-L1122 PolarHBondContact O-N 2.97Å
1119	S	66.4	Low	65.1	Low	34 Å²	34	66.2 Å²	66.2	24%	0.238	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-44.4	172.3	-165.6	0	0	0	0	110.6	N1116 N1117 I1121 L1122 R1123 S1129	N1116-S1119 WeakPolarHBondContact O-CB 3.34Å; N1116-S1119 PolarHBondContact O-N 2.86Å; N1117-S1119 VanDerWaalsContact C-N 3.33Å; N1117-S1119 PolarHBondContact O-N 3.06Å; S1119-I1121 PolarHBondContact O-N 3.42Å; S1119-L1122 PolarHBondContact O-N 3.49Å; S1119-R1123 WeakPolarHBondContact O-CB 3.23Å; S1119-R1123 VanDerWaalsContact O-CG 3.22Å; S1119-R1123 WeakPolarHBondContact O-CG 3.3Å; S1119-R1123 PolarHBondContact O-N 3.11Å; S1119-S1129 PolarHBondContact OG-O 3.02Å
1120	D	77.1	Confident	66.4	Low	65 Å²	65	61.4 Å²	61.4	35%	0.348	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-32.5	179.1	-70.9	-29.2	0	0	0	112.7	N1116 N1117 Q1124	N1116-D1120 PolarHBondContact O-N 2.9Å; N1117-D1120 PolarHBondContact O-N 3.44Å; D1120-Q1124 VanDerWaalsContact O-CB 3.31Å; D1120-Q1124 WeakPolarHBondContact O-CB 3.2Å; D1120-Q1124 VanDerWaalsContact O-CG 3.25Å; D1120-Q1124 WeakPolarHBondContact O-CG 3.29Å; D1120-Q1124 PolarHBondContact O-N 3.28Å
1121	I	82.2	Confident	67.8	Low	33 Å²	33	56.7 Å²	56.7	17%	0.169	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-48.1	172.3	-71.2	165	0	0	0	110.9	H1024 V1027 V1092 N1117 S1119 Q1124 L1125	H1024-I1121 HydrophobicContact CB-CG2 4.09Å; V1027-I1121 HydrophobicContact CB-CG1 4.18Å; V1027-I1121 HydrophobicContact CG1-CG1 3.99Å; V1027-I1121 HydrophobicContact CG2-CG2 4.36Å; V1092-I1121 HydrophobicContact CG2-CG2 4.31Å; N1117-I1121 WeakPolarHBondContact O-CG1 3.41Å; N1117-I1121 PolarHBondContact O-N 3.27Å; S1119-I1121 PolarHBondContact O-N 3.42Å; I1121-Q1124 PolarHBondContact O-N 3.34Å; I1121-L1125 HydrophobicContact CG2-CD1 3.88Å; I1121-L1125 WeakPolarHBondContact O-CB 3.45Å; I1121-L1125 WeakPolarHBondContact O-CG 3.29Å; I1121-L1125 PolarHBondContact O-N 3.43Å
1122	L	82.8	Confident	69.6	Low	10 Å²	10	62.8 Å²	62.8	5%	0.052	37%	0.368	C	S	.	.	H	α-helix	trans	-68.5	-38.4	-179.2	-65.8	171.1	0	0	0	112.1	V1092 V1105 D1118 S1119 L1125 I1126 G1127 I1128 P1131	V1092-L1122 HydrophobicContact CG2-CD2 3.68Å; V1105-L1122 HydrophobicContact CG1-CD2 3.75Å; D1118-L1122 WeakPolarHBondContact O-CG 3.29Å; D1118-L1122 PolarHBondContact O-N 2.97Å; S1119-L1122 PolarHBondContact O-N 3.49Å; L1122-L1125 PolarHBondContact O-N 3.46Å; L1122-I1126 HydrophobicContact CD2-CD1 4.17Å; L1122-I1126 VanDerWaalsContact O-CG1 3.3Å; L1122-I1126 WeakPolarHBondContact O-CG1 3.29Å; L1122-I1126 PolarHBondContact O-N 3.41Å; L1122-G1127 PolarHBondContact O-N 3.13Å; L1122-G1127 VanDerWaalsContact O-N 3.07Å; L1122-I1128 CarbonylContact C-O 3.57Å; L1122-I1128 VanDerWaalsContact C-O 3.24Å; L1122-I1128 HydrophobicContact CB-CD1 4.49Å; L1122-I1128 HydrophobicContact CB-CG1 3.83Å; L1122-P1131 HydrophobicContact CD1-CG 3.7Å
1123	R	82.5	Confident	71.4	Confident	125 Å²	125	62.5 Å²	62.5	47%	0.472	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-47.1	172.4	-75.1	171.4	167.9	-173.2	-5.8	111.3	S1119 G1127 I1128 S1129	S1119-R1123 WeakPolarHBondContact O-CB 3.23Å; S1119-R1123 VanDerWaalsContact O-CG 3.22Å; S1119-R1123 WeakPolarHBondContact O-CG 3.3Å; S1119-R1123 PolarHBondContact O-N 3.11Å; R1123-G1127 WeakPolarHBondContact O-CA 3.32Å; R1123-G1127 PolarHBondContact O-N 3.11Å; R1123-I1128 WeakPolarHBondContact CA-O 3.32Å; R1123-I1128 VanDerWaalsContact CG-O 3.25Å; R1123-I1128 WeakPolarHBondContact CG-O 3.31Å; R1123-I1128 PolarHBondContact N-O 3.09Å; R1123-S1129 PolarHBondContact NE-OG 3.17Å; R1123-S1129 PolarHBondContact NH2-OG 3.35Å
1124	Q	83.4	Confident	73.1	Confident	63 Å²	63	56.2 Å²	56.2	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-76.5	-19.6	-177.6	-71	-173.7	63.3	0	0	114.9	V1027 D1120 I1121 P1164 R1167	V1027-Q1124 HydrophobicContact CG1-CB 4.23Å; V1027-Q1124 HydrophobicContact CG1-CG 4.5Å; V1027-Q1124 HydrophobicContact CG2-CB 3.94Å; D1120-Q1124 VanDerWaalsContact O-CB 3.31Å; D1120-Q1124 WeakPolarHBondContact O-CB 3.2Å; D1120-Q1124 VanDerWaalsContact O-CG 3.25Å; D1120-Q1124 WeakPolarHBondContact O-CG 3.29Å; D1120-Q1124 PolarHBondContact O-N 3.28Å; I1121-Q1124 PolarHBondContact O-N 3.34Å; Q1124-P1164 HydrophobicContact CB-CB 3.91Å; Q1124-P1164 HydrophobicContact CG-CB 3.97Å; Q1124-P1164 HydrophobicContact CG-CG 4.44Å; Q1124-P1164 WeakPolarHBondContact O-CB 3.5Å; Q1124-R1167 WeakPolarHBondContact O-CB 3.29Å; Q1124-R1167 PolarHBondContact O-N 3.33Å
1125	L	85	Confident	74.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-94.8	-48	176.6	-70.4	177.6	0	0	0	113.3	V1023 F1026 V1027 V1092 I1121 L1122 R1167 L1170	V1023-L1125 HydrophobicContact CG2-CD1 4.5Å; F1026-L1125 HydrophobicContact CB-CD2 4.27Å; F1026-L1125 HydrophobicContact CD2-CD2 4.29Å; V1027-L1125 HydrophobicContact CG2-CD1 4.46Å; V1027-L1125 HydrophobicContact CG2-CD2 4Å; V1027-L1125 HydrophobicContact CG2-CG 3.85Å; V1092-L1125 HydrophobicContact CB-CD1 4.07Å; V1092-L1125 HydrophobicContact CG1-CD1 4.2Å; V1092-L1125 HydrophobicContact CG2-CD1 4.21Å; I1121-L1125 HydrophobicContact CG2-CD1 3.88Å; I1121-L1125 WeakPolarHBondContact O-CB 3.45Å; I1121-L1125 WeakPolarHBondContact O-CG 3.29Å; I1121-L1125 PolarHBondContact O-N 3.43Å; L1122-L1125 PolarHBondContact O-N 3.46Å; L1125-R1167 WeakPolarHBondContact O-CD 3.32Å; L1125-R1167 PolarHBondContact O-NH1 3.25Å; L1125-L1170 HydrophobicContact CB-CD2 4.35Å; L1125-L1170 HydrophobicContact CD2-CB 4.35Å; L1125-L1170 HydrophobicContact CD2-CD2 4.36Å
1126	I	84.4	Confident	75.5	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-130.4	-5.7	-168.1	54.9	173.3	0	0	0	114.6	L1103 V1105 L1122 I1128 L1134 F1141 L1143 L1170 L1189	L1103-I1126 HydrophobicContact CD2-CG2 3.97Å; V1105-I1126 HydrophobicContact CG2-CD1 4.09Å; L1122-I1126 HydrophobicContact CD2-CD1 4.17Å; L1122-I1126 VanDerWaalsContact O-CG1 3.3Å; L1122-I1126 WeakPolarHBondContact O-CG1 3.29Å; L1122-I1126 PolarHBondContact O-N 3.41Å; I1126-I1128 HydrophobicContact CD1-CD1 3.6Å; I1126-I1128 HydrophobicContact CD1-CG1 3.94Å; I1126-I1128 HydrophobicContact CG1-CD1 4.24Å; I1126-I1128 HydrophobicContact CG1-CG1 4.02Å; I1126-L1134 HydrophobicContact CD1-CD1 4.32Å; I1126-F1141 HydrophobicContact CB-CZ 4.47Å; I1126-F1141 HydrophobicContact CG2-CE1 4.11Å; I1126-F1141 HydrophobicContact CG2-CZ 4.49Å; I1126-L1143 HydrophobicContact CG2-CD2 4.45Å; I1126-L1170 HydrophobicContact CG2-CD2 4.35Å; I1126-L1189 HydrophobicContact CD1-CD1 4.35Å
1127	G	81.5	Confident	76.5	Confident	58 Å²	58	51.1 Å²	51.1	60%	0.598	28%	0.276	S	S	*	.	S	Bend	trans	92	-4.6	173.5	0	0	0	0	0	115.5	L1122 R1123	L1122-G1127 PolarHBondContact O-N 3.13Å; L1122-G1127 VanDerWaalsContact O-N 3.07Å; R1123-G1127 WeakPolarHBondContact O-CA 3.32Å; R1123-G1127 PolarHBondContact O-N 3.11Å
1128	I	78.6	Confident	77.6	Confident	14 Å²	14	46.1 Å²	46.1	7%	0.072	25%	0.249	C	C	.	.			trans	-91.3	155.9	-178.4	77.8	-179.5	0	0	0	111.7	L1122 R1123 I1126 S1130 L1134	L1122-I1128 CarbonylContact C-O 3.57Å; L1122-I1128 VanDerWaalsContact C-O 3.24Å; L1122-I1128 HydrophobicContact CB-CD1 4.49Å; L1122-I1128 HydrophobicContact CB-CG1 3.83Å; R1123-I1128 WeakPolarHBondContact CA-O 3.32Å; R1123-I1128 VanDerWaalsContact CG-O 3.25Å; R1123-I1128 WeakPolarHBondContact CG-O 3.31Å; R1123-I1128 PolarHBondContact N-O 3.09Å; I1126-I1128 HydrophobicContact CD1-CD1 3.6Å; I1126-I1128 HydrophobicContact CD1-CG1 3.94Å; I1126-I1128 HydrophobicContact CG1-CD1 4.24Å; I1126-I1128 HydrophobicContact CG1-CG1 4.02Å; I1128-S1130 WeakPolarHBondContact CD1-O 3.45Å; I1128-L1134 HydrophobicContact CD1-CD1 3.42Å; I1128-L1134 VanDerWaalsContact CD1-CD1 3.42Å; I1128-L1134 HydrophobicContact CD1-CD2 3.81Å; I1128-L1134 HydrophobicContact CD1-CG 3.45Å; I1128-L1134 VanDerWaalsContact CD1-CG 3.45Å; I1128-L1134 HydrophobicContact CG2-CD2 4.26Å
1129	S	76.6	Confident	78.9	Confident	40 Å²	40	44 Å²	44	28%	0.28	24%	0.238	S	C	.	.	S	Bend	trans	-97.1	-14.8	177.2	-58.9	0	0	0	0	114.7	S1119 R1123	S1119-S1129 PolarHBondContact OG-O 3.02Å; R1123-S1129 PolarHBondContact NE-OG 3.17Å; R1123-S1129 PolarHBondContact NH2-OG 3.35Å
1130	S	79.6	Confident	79.7	Confident	42 Å²	42	42.9 Å²	42.9	29%	0.294	23%	0.23	S	C	.	.			trans	-155.7	144	-179.7	177.9	0	0	0	0	111.6	I1128 R1132 Q1133	I1128-S1130 WeakPolarHBondContact CD1-O 3.45Å; S1130-R1132 PolarHBondContact O-N 3.25Å; S1130-R1132 VanDerWaalsContact O-N 3.1Å; S1130-R1132 PolarHBondContact OG-N 3.41Å; S1130-Q1133 WeakPolarHBondContact O-CB 3.38Å; S1130-Q1133 PolarHBondContact O-N 3.13Å
1131	P	78.1	Confident	80	Confident	27 Å²	27	40.4 Å²	40.4	18%	0.175	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-55.5	-27.3	172.7	-24.4	34.2	0	0	0	113.7	V1105 G1106 L1122 Q1133 L1134	V1105-P1131 HydrophobicContact CG1-CB 4.14Å; V1105-P1131 HydrophobicContact CG1-CG 4.21Å; G1106-P1131 WeakPolarHBondContact O-CG 3.43Å; L1122-P1131 HydrophobicContact CD1-CG 3.7Å; P1131-Q1133 PolarHBondContact O-N 3.01Å; P1131-L1134 WeakPolarHBondContact O-CB 3.44Å; P1131-L1134 PolarHBondContact O-N 2.99Å
1132	R	78.2	Confident	79.8	Confident	180 Å²	180	41.1 Å²	41.1	68%	0.679	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-66.9	-14.7	178.1	-64.9	-175.4	178.3	-174.7	-0.2	113.6	E1109 S1130 L1134	E1109-R1132 IonicContact OE1-CZ 2.96Å; E1109-R1132 IonicContact OE1-NE 2.7Å; E1109-R1132 IonicContact OE1-NH2 3.66Å; E1109-R1132 PolarHBondContact OE1-NH2 2.92Å; S1130-R1132 PolarHBondContact O-N 3.25Å; S1130-R1132 VanDerWaalsContact O-N 3.1Å; S1130-R1132 PolarHBondContact OG-N 3.41Å; R1132-L1134 VanDerWaalsContact C-N 3.29Å
1133	Q	78.3	Confident	79.6	Confident	89 Å²	89	42 Å²	42	42%	0.416	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-78.6	-11.3	172.5	-64.4	179.2	-44.1	0	0	113	S1130 P1131	S1130-Q1133 WeakPolarHBondContact O-CB 3.38Å; S1130-Q1133 PolarHBondContact O-N 3.13Å; P1131-Q1133 PolarHBondContact O-N 3.01Å
1134	L	76.5	Confident	79	Confident	13 Å²	13	36.8 Å²	36.8	7%	0.068	21%	0.209	C	C	.	.	S	Bend	trans	-90.7	142	177	-61.7	166.6	0	0	0	110.5	V1105 I1126 I1128 P1131 R1132 A1136 L1189 R1191	V1105-L1134 HydrophobicContact CB-CD1 4.04Å; V1105-L1134 HydrophobicContact CG1-CD1 3.97Å; V1105-L1134 HydrophobicContact CG2-CD1 3.88Å; I1126-L1134 HydrophobicContact CD1-CD1 4.32Å; I1128-L1134 HydrophobicContact CD1-CD1 3.42Å; I1128-L1134 VanDerWaalsContact CD1-CD1 3.42Å; I1128-L1134 HydrophobicContact CD1-CD2 3.81Å; I1128-L1134 HydrophobicContact CD1-CG 3.45Å; I1128-L1134 VanDerWaalsContact CD1-CG 3.45Å; I1128-L1134 HydrophobicContact CG2-CD2 4.26Å; P1131-L1134 WeakPolarHBondContact O-CB 3.44Å; P1131-L1134 PolarHBondContact O-N 2.99Å; R1132-L1134 VanDerWaalsContact C-N 3.29Å; L1134-A1136 PolarHBondContact O-N 3.44Å; L1134-L1189 HydrophobicContact CB-CD2 4.08Å; L1134-L1189 HydrophobicContact CD1-CD1 4.14Å; L1134-L1189 HydrophobicContact CD1-CD2 4.01Å; L1134-L1189 HydrophobicContact CD1-CG 4.47Å; L1134-L1189 HydrophobicContact CD2-CD1 3.66Å; L1134-L1189 HydrophobicContact CD2-CD2 3.77Å; L1134-L1189 HydrophobicContact CD2-CG 4.37Å; L1134-L1189 HydrophobicContact CG-CD1 4.49Å; L1134-L1189 HydrophobicContact CG-CD2 4.14Å; L1134-R1191 HydrophobicContact CB-CG 4.04Å; L1134-R1191 HydrophobicContact CD1-CG 4.39Å; L1134-R1191 WeakPolarHBondContact O-CD 3.42Å; L1134-R1191 PolarHBondContact O-NH1 3.43Å
1135	P	75.6	Confident	78.1	Confident	31 Å²	31	38.1 Å²	38.1	20%	0.201	22%	0.223	C	C	.	.			trans	-59.2	132	177.4	22.5	-31.5	0	0	0	111.1	L773 Q1137 G1138	L773-P1135 HydrophobicContact CD1-CG 3.63Å; L773-P1135 HydrophobicContact CD2-CG 4.11Å; P1135-Q1137 VanDerWaalsContact C-N 3.29Å; P1135-Q1137 PolarHBondContact O-N 2.93Å; P1135-G1138 PolarHBondContact O-N 3Å; P1135-G1138 VanDerWaalsContact O-N 3.15Å
1136	A	73.5	Confident	77	Confident	46 Å²	46	40.7 Å²	40.7	38%	0.38	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-39.3	-176.7	0	0	0	0	0	111.9	L1134 G1138 S1194	L1134-A1136 PolarHBondContact O-N 3.44Å; A1136-G1138 PolarHBondContact O-N 2.97Å; A1136-S1194 VanDerWaalsContact O-CA 3.24Å; A1136-S1194 WeakPolarHBondContact O-CA 3.34Å
1137	Q	74.1	Confident	75.3	Confident	50 Å²	50	46.5 Å²	46.5	23%	0.234	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.7	-179.9	71.4	-75.2	11.7	0	0	114.4	P1135 S1195 L1198	P1135-Q1137 VanDerWaalsContact C-N 3.29Å; P1135-Q1137 PolarHBondContact O-N 2.93Å; Q1137-S1195 PolarHBondContact O-OG 3.23Å; Q1137-L1198 WeakPolarHBondContact O-CD1 3.2Å
1138	G	79.6	Confident	73.8	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.01	27%	0.274	C	S	.	.			trans	70.9	-175	-170.8	0	0	0	0	0	113.1	S792 P1135 A1136 L1189	S792-G1138 PolarHBondContact OG-O 2.98Å; S792-G1138 VanDerWaalsContact OG-O 3.04Å; P1135-G1138 PolarHBondContact O-N 3Å; P1135-G1138 VanDerWaalsContact O-N 3.15Å; A1136-G1138 PolarHBondContact O-N 2.97Å; G1138-L1189 VanDerWaalsContact CA-O 3.31Å; G1138-L1189 WeakPolarHBondContact CA-O 3.4Å
1139	G	82.9	Confident	71.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-178.9	173.1	0	0	0	0	0	115	V1188 L1189	G1139-V1188 CarbonylContact O-C 3.52Å; G1139-V1188 WeakPolarHBondContact O-CA 3.48Å; G1139-L1189 PolarHBondContact N-O 3.29Å; G1139-L1189 PolarHBondContact O-N 2.69Å
1140	P	83.1	Confident	69.9	Low	10 Å²	10	57.8 Å²	57.8	7%	0.065	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	136.4	170.7	-26.3	36.6	0	0	0	112.3	V793 I795 E798	V793-P1140 HydrophobicContact CB-CG 4.21Å; V793-P1140 HydrophobicContact CG1-CG 4.31Å; V793-P1140 WeakPolarHBondContact O-CD 3.41Å; V793-P1140 WeakPolarHBondContact O-CG 3.42Å; I795-P1140 HydrophobicContact CG1-CG 4.34Å; E798-P1140 HydrophobicContact CB-CB 4.23Å; E798-P1140 HydrophobicContact CB-CG 4.06Å; E798-P1140 HydrophobicContact CG-CB 4.17Å
1141	F	82.9	Confident	67.9	Low	13 Å²	13	64 Å²	64	6%	0.057	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.9	-173.6	-176.6	-121.1	0	0	0	111.5	L773 A775 L1103 I1126 L1143 L1187 L1189	L773-F1141 HydrophobicContact CB-CD2 3.94Å; L773-F1141 WeakPolarHBondContact O-CD2 3.29Å; L773-F1141 WeakPolarHBondContact O-CE2 3.43Å; A775-F1141 HydrophobicContact CB-CE2 4.32Å; A775-F1141 HydrophobicContact CB-CZ 4.44Å; L1103-F1141 HydrophobicContact CD2-CD1 4.49Å; L1103-F1141 HydrophobicContact CD2-CE1 4.48Å; I1126-F1141 HydrophobicContact CB-CZ 4.47Å; I1126-F1141 HydrophobicContact CG2-CE1 4.11Å; I1126-F1141 HydrophobicContact CG2-CZ 4.49Å; F1141-L1143 HydrophobicContact CD1-CD2 4.42Å; F1141-L1143 HydrophobicContact CE1-CD2 3.76Å; F1141-L1187 HydrophobicContact CD1-CD2 3.9Å; F1141-L1187 HydrophobicContact CD1-CG 4.46Å; F1141-L1187 PolarHBondContact N-O 3.31Å; F1141-L1187 WeakPolarHBondContact O-CB 3.49Å; F1141-L1189 HydrophobicContact CB-CB 3.61Å; F1141-L1189 HydrophobicContact CD1-CB 4.07Å; F1141-L1189 HydrophobicContact CD1-CD1 3.93Å; F1141-L1189 HydrophobicContact CD2-CB 4.47Å; F1141-L1189 HydrophobicContact CD2-CD1 4.24Å; F1141-L1189 HydrophobicContact CE1-CD1 3.96Å; F1141-L1189 HydrophobicContact CE2-CD1 4.29Å; F1141-L1189 HydrophobicContact CG-CB 3.82Å; F1141-L1189 HydrophobicContact CG-CD1 4.07Å; F1141-L1189 HydrophobicContact CZ-CD1 4.15Å
1142	V	79.7	Confident	65.9	Low	48 Å²	48	72.4 Å²	72.4	29%	0.291	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.5	174.4	174.7	0	0	0	0	108.3	I772 P1144	I772-V1142 HydrophobicContact CG2-CB 4.11Å; I772-V1142 HydrophobicContact CG2-CG2 3.57Å; V1142-P1144 VanDerWaalsContact O-CD 3.22Å; V1142-P1144 WeakPolarHBondContact O-CD 3.5Å
1143	L	78.3	Confident	63.7	Low	29 Å²	29	71.7 Å²	71.7	15%	0.152	38%	0.38	C	S	.	.			trans	-64.4	123.3	169.5	-66.8	173.8	0	0	0	108.9	I1126 F1141 L1170 I1174 L1187	I1126-L1143 HydrophobicContact CG2-CD2 4.45Å; F1141-L1143 HydrophobicContact CD1-CD2 4.42Å; F1141-L1143 HydrophobicContact CE1-CD2 3.76Å; L1143-L1170 HydrophobicContact CD2-CD2 4.47Å; L1143-I1174 HydrophobicContact CD1-CD1 3.82Å; L1143-L1187 HydrophobicContact CD1-CD2 4.19Å; L1143-L1187 HydrophobicContact CD2-CD2 4.25Å; L1143-L1187 HydrophobicContact CG-CD2 3.78Å
1144	P	69	Low	61.5	Low	15 Å²	15	73.8 Å²	73.8	10%	0.097	39%	0.394	C	S	.	.			trans	-37.4	138.6	162.6	-36.5	33.8	0	0	0	114.8	A775 D776 V1142 R1167	A775-P1144 HydrophobicContact CB-CG 3.75Å; D776-P1144 VanDerWaalsContact OD1-CB 3.31Å; D776-P1144 WeakPolarHBondContact OD1-CB 3.39Å; D776-P1144 WeakPolarHBondContact OD1-CG 3.39Å; D776-P1144 WeakPolarHBondContact OD2-CB 3.49Å; V1142-P1144 VanDerWaalsContact O-CD 3.22Å; V1142-P1144 WeakPolarHBondContact O-CD 3.5Å; P1144-R1167 PolarHBondContact O-NH2 3.34Å
1145	P	64.5	Low	59.4	Low	91 Å²	91	79.4 Å²	79.4	59%	0.591	43%	0.429	S	S	*	.			trans	-65.2	147.2	-175.4	27.8	-34.8	0	0	0	112.2	N1147	P1145-N1147 PolarHBondContact O-N 3.06Å
1146	I	61.8	Low	57.5	Low	55 Å²	55	85.9 Å²	85.9	28%	0.282	46%	0.46	S	S	.	.			trans	-88.3	100	173.6	-63.3	-178.7	0	0	0	107.7	L1148 I1163	I1146-L1148 HydrophobicContact CG2-CD1 4.4Å; I1146-L1148 HydrophobicContact CG2-CD2 4.22Å; I1146-L1148 HydrophobicContact CG2-CG 3.91Å; I1146-L1148 PolarHBondContact O-N 3.44Å; I1146-I1163 HydrophobicContact CB-CD1 3.94Å; I1146-I1163 HydrophobicContact CG1-CD1 4.29Å; I1146-I1163 HydrophobicContact CG2-CD1 3.43Å; I1146-I1163 VanDerWaalsContact CG2-CD1 3.43Å
1147	N	50	Low	55.6	Low	124 Å²	124	88.3 Å²	88.3	66%	0.663	47%	0.47	S	S	*	.			trans	-69.5	90.9	176	-77.3	-12.1	0	0	0	111	P1145 S1149	P1145-N1147 PolarHBondContact O-N 3.06Å; N1147-S1149 PolarHBondContact O-N 3.41Å
1148	L	48.3	Very low	53.6	Low	142 Å²	142	94 Å²	94	74%	0.743	50%	0.502	S	S	*	.			trans	-80.2	6.1	177.2	-74.1	159.4	0	0	0	113.8	I1146 N1150	I1146-L1148 HydrophobicContact CG2-CD1 4.4Å; I1146-L1148 HydrophobicContact CG2-CD2 4.22Å; I1146-L1148 HydrophobicContact CG2-CG 3.91Å; I1146-L1148 PolarHBondContact O-N 3.44Å; L1148-N1150 PolarHBondContact O-N 3.05Å
1149	S	39	Very low	51.4	Low	90 Å²	90	99.4 Å²	99.4	63%	0.629	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.3	-165.2	51.1	0	0	0	0	116.4	N1147	N1147-S1149 PolarHBondContact O-N 3.41Å
1150	N	35	Very low	49.2	Very low	116 Å²	116	107.4 Å²	107.4	62%	0.62	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	0.3	-163.8	-71.8	25.9	0	0	0	115.7	L1148 K1152 Q1153	L1148-N1150 PolarHBondContact O-N 3.05Å; N1150-K1152 PolarHBondContact O-N 2.88Å; N1150-Q1153 PolarHBondContact O-N 3.31Å
1151	E	38.6	Very low	47.6	Very low	174 Å²	174	112.1 Å²	112.1	81%	0.813	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	6.3	-177.5	-70.6	-160.1	143.2	0	0	115.7
1152	K	35.7	Very low	46.8	Very low	203 Å²	203	116 Å²	116	88%	0.883	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-5.4	178	-73.9	-168.1	173.9	-177.4	0	116.2	N1150	N1150-K1152 PolarHBondContact O-N 2.88Å
1153	Q	31.8	Very low	46.3	Very low	164 Å²	164	115.8 Å²	115.8	77%	0.766	63%	0.628	S	S	*	*	S	Bend	trans	-145.9	97.3	175.5	-78.2	178.7	-21.1	0	0	111.2	N1150	N1150-Q1153 PolarHBondContact O-N 3.31Å
1154	N	32.4	Very low	46.4	Very low	133 Å²	133	116.9 Å²	116.9	71%	0.711	64%	0.636	S	S	*	*			trans	-178.6	102.6	131.5	-95.1	-5.9	0	0	0	111.7
1155	T	31.2	Very low	47	Very low	132 Å²	132	118.2 Å²	118.2	81%	0.81	64%	0.642	S	S	*	*	S	Bend	trans	-81	122.3	156	44	0	0	0	0	109.4
1156	I	35.5	Very low	47.8	Very low	167 Å²	167	113.9 Å²	113.9	86%	0.856	61%	0.614	S	S	*	*	S	Bend	trans	70.1	65.3	163.2	-40.3	168.7	0	0	0	115.9
1157	T	33.6	Very low	48.9	Very low	97 Å²	97	112.2 Å²	112.2	60%	0.595	60%	0.604	S	S	*	*			trans	-147.1	148.7	139.7	41.6	0	0	0	0	110.2
1158	N	32	Very low	50.5	Low	168 Å²	168	111.7 Å²	111.7	90%	0.898	59%	0.593	S	S	*	*			trans	-82.6	117.6	171.4	-72.2	-28.6	0	0	0	109.2
1159	D	33.6	Very low	52.3	Low	116 Å²	116	106.3 Å²	106.3	62%	0.62	56%	0.563	S	S	*	*			trans	-138.7	139.8	177.1	-115.4	-44.9	0	0	0	113.5	T1161	D1159-T1161 VanDerWaalsContact C-N 3.26Å; D1159-T1161 PolarHBondContact O-N 2.89Å; D1159-T1161 VanDerWaalsContact O-N 3.09Å
1160	N	38.1	Very low	54.6	Low	168 Å²	168	102 Å²	102	90%	0.898	53%	0.533	S	S	*	.			trans	-87.7	35.9	-166.2	-70.7	-66.8	0	0	0	113.9
1161	T	48.8	Very low	57.2	Low	109 Å²	109	97 Å²	97	67%	0.669	51%	0.507	S	S	*	.			trans	-105.8	10	-167.2	55.2	0	0	0	0	115.1	D1159 I1163	D1159-T1161 VanDerWaalsContact C-N 3.26Å; D1159-T1161 PolarHBondContact O-N 2.89Å; D1159-T1161 VanDerWaalsContact O-N 3.09Å; T1161-I1163 PolarHBondContact O-N 3.39Å
1162	S	65.1	Low	59.4	Low	94 Å²	94	90.2 Å²	90.2	66%	0.657	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-74.7	124.1	176.3	73.3	0	0	0	0	111.8
1163	I	70.9	Confident	61.9	Low	45 Å²	45	80.7 Å²	80.7	23%	0.231	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-61.9	132.3	-179	-66.4	168	0	0	0	110.5	I1146 T1161 R1167 R1168	I1146-I1163 HydrophobicContact CB-CD1 3.94Å; I1146-I1163 HydrophobicContact CG1-CD1 4.29Å; I1146-I1163 HydrophobicContact CG2-CD1 3.43Å; I1146-I1163 VanDerWaalsContact CG2-CD1 3.43Å; T1161-I1163 PolarHBondContact O-N 3.39Å; I1163-R1167 HydrophobicContact CG2-CB 4.11Å; I1163-R1167 HydrophobicContact CG2-CG 3.87Å; I1163-R1168 HydrophobicContact CG2-CG 4.18Å; I1163-R1168 VanDerWaalsContact O-CZ 3.31Å; I1163-R1168 PolarHBondContact O-NE 2.88Å; I1163-R1168 PolarHBondContact O-NH2 2.83Å
1164	P	80.2	Confident	64.6	Low	51 Å²	51	73 Å²	73	33%	0.331	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-57.2	144	-176.6	-27.9	35.3	0	0	0	114	Q1124 G1166 R1167 R1168	Q1124-P1164 HydrophobicContact CB-CB 3.91Å; Q1124-P1164 HydrophobicContact CG-CB 3.97Å; Q1124-P1164 HydrophobicContact CG-CG 4.44Å; Q1124-P1164 WeakPolarHBondContact O-CB 3.5Å; P1164-G1166 VanDerWaalsContact C-N 3.3Å; P1164-G1166 PolarHBondContact O-N 2.85Å; P1164-R1167 HydrophobicContact CB-CB 4.46Å; P1164-R1167 WeakPolarHBondContact O-CB 3.25Å; P1164-R1167 PolarHBondContact O-N 2.56Å; P1164-R1167 VanDerWaalsContact O-N 3.08Å; P1164-R1168 PolarHBondContact O-N 3.13Å; P1164-R1168 VanDerWaalsContact O-N 3.1Å
1165	I	80.4	Confident	67.1	Low	43 Å²	43	70.5 Å²	70.5	22%	0.221	39%	0.39	C	S	.	.	H	α-helix	trans	-63.3	-35.7	-177	-165.2	165.4	0	0	0	112.5	R1167 R1168 R1169	I1165-R1167 VanDerWaalsContact C-N 3.31Å; I1165-R1167 PolarHBondContact O-N 2.85Å; I1165-R1168 PolarHBondContact O-N 2.64Å; I1165-R1169 WeakPolarHBondContact O-CG 3.43Å; I1165-R1169 PolarHBondContact O-N 2.68Å
1166	G	82.2	Confident	69.6	Low	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-57	-43.1	172.7	0	0	0	0	0	112.7	P1164 L1170	P1164-G1166 VanDerWaalsContact C-N 3.3Å; P1164-G1166 PolarHBondContact O-N 2.85Å; G1166-L1170 WeakPolarHBondContact O-CB 3.17Å; G1166-L1170 PolarHBondContact O-N 3.32Å
1167	R	85.6	Confident	72	Confident	20 Å²	20	58.2 Å²	58.2	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-45.6	176.4	176.2	49.4	158.8	-96	-15.5	112	Q1124 L1125 P1144 I1163 P1164 I1165 R1169 L1170 S1171	Q1124-R1167 WeakPolarHBondContact O-CB 3.29Å; Q1124-R1167 PolarHBondContact O-N 3.33Å; L1125-R1167 WeakPolarHBondContact O-CD 3.32Å; L1125-R1167 PolarHBondContact O-NH1 3.25Å; P1144-R1167 PolarHBondContact O-NH2 3.34Å; I1163-R1167 HydrophobicContact CG2-CB 4.11Å; I1163-R1167 HydrophobicContact CG2-CG 3.87Å; P1164-R1167 HydrophobicContact CB-CB 4.46Å; P1164-R1167 WeakPolarHBondContact O-CB 3.25Å; P1164-R1167 PolarHBondContact O-N 2.56Å; P1164-R1167 VanDerWaalsContact O-N 3.08Å; I1165-R1167 VanDerWaalsContact C-N 3.31Å; I1165-R1167 PolarHBondContact O-N 2.85Å; R1167-R1169 VanDerWaalsContact C-N 3.31Å; R1167-R1169 PolarHBondContact O-N 2.72Å; R1167-L1170 PolarHBondContact O-N 3.11Å; R1167-S1171 WeakPolarHBondContact O-CB 3.45Å; R1167-S1171 PolarHBondContact O-N 2.94Å; R1167-S1171 PolarHBondContact O-OG 2.86Å
1168	R	83	Confident	74.5	Confident	114 Å²	114	56.4 Å²	56.4	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-54.9	-49.4	177.1	-60.5	-177.5	-149.8	178.3	6.6	110.7	I1163 P1164 I1165 S1171 A1172	I1163-R1168 HydrophobicContact CG2-CG 4.18Å; I1163-R1168 VanDerWaalsContact O-CZ 3.31Å; I1163-R1168 PolarHBondContact O-NE 2.88Å; I1163-R1168 PolarHBondContact O-NH2 2.83Å; P1164-R1168 PolarHBondContact O-N 3.13Å; P1164-R1168 VanDerWaalsContact O-N 3.1Å; I1165-R1168 PolarHBondContact O-N 2.64Å; R1168-S1171 PolarHBondContact O-N 2.86Å; R1168-A1172 WeakPolarHBondContact O-CB 3.27Å; R1168-A1172 PolarHBondContact O-N 2.81Å
1169	R	85.3	Confident	76.7	Confident	29 Å²	29	56.6 Å²	56.6	11%	0.109	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-46.2	177.9	-71.4	170	176.7	172.8	-2.8	113.5	F1026 D1074 I1165 R1167 S1171 A1172 L1173	F1026-R1169 HydrophobicContact CB-CB 3.93Å; F1026-R1169 HydrophobicContact CD1-CB 3.63Å; F1026-R1169 HydrophobicContact CD1-CG 4.26Å; F1026-R1169 HydrophobicContact CD2-CB 3.92Å; F1026-R1169 HydrophobicContact CE1-CB 3.94Å; F1026-R1169 HydrophobicContact CE2-CB 4.23Å; F1026-R1169 HydrophobicContact CG-CB 3.6Å; F1026-R1169 HydrophobicContact CG-CG 4.5Å; F1026-R1169 HydrophobicContact CZ-CB 4.21Å; F1026-R1169 PolarHBondContact O-NH1 2.87Å; D1074-R1169 HydrophobicContact CB-CG 4.09Å; D1074-R1169 VanDerWaalsContact CG-CG 3.43Å; D1074-R1169 VanDerWaalsContact OD1-CG 3.24Å; D1074-R1169 WeakPolarHBondContact OD1-CG 3.41Å; D1074-R1169 IonicContact OD1-CZ 3.45Å; D1074-R1169 IonicContact OD1-NE 3.35Å; D1074-R1169 PolarHBondContact OD1-NE 2.93Å; D1074-R1169 IonicContact OD1-NH2 3.31Å; D1074-R1169 PolarHBondContact OD1-NH2 2.84Å; I1165-R1169 WeakPolarHBondContact O-CG 3.43Å; I1165-R1169 PolarHBondContact O-N 2.68Å; R1167-R1169 VanDerWaalsContact C-N 3.31Å; R1167-R1169 PolarHBondContact O-N 2.72Å; R1169-S1171 PolarHBondContact O-N 3Å; R1169-A1172 PolarHBondContact O-N 3.01Å; R1169-L1173 PolarHBondContact O-N 2.87Å
1170	L	88.4	Confident	78.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-44.1	176.7	178.7	60	0	0	0	111.8	V1023 F1026 L1094 L1125 I1126 L1143 G1166 R1167 L1173 I1174	V1023-L1170 HydrophobicContact CB-CD1 4.15Å; V1023-L1170 HydrophobicContact CG1-CD1 3.97Å; V1023-L1170 HydrophobicContact CG2-CD1 4.34Å; F1026-L1170 HydrophobicContact CD2-CB 4.16Å; F1026-L1170 HydrophobicContact CE2-CB 4.16Å; F1026-L1170 HydrophobicContact CE2-CD1 4.37Å; L1094-L1170 HydrophobicContact CD2-CD1 4.42Å; L1125-L1170 HydrophobicContact CB-CD2 4.35Å; L1125-L1170 HydrophobicContact CD2-CB 4.35Å; L1125-L1170 HydrophobicContact CD2-CD2 4.36Å; I1126-L1170 HydrophobicContact CG2-CD2 4.35Å; L1143-L1170 HydrophobicContact CD2-CD2 4.47Å; G1166-L1170 WeakPolarHBondContact O-CB 3.17Å; G1166-L1170 PolarHBondContact O-N 3.32Å; R1167-L1170 PolarHBondContact O-N 3.11Å; L1170-L1173 PolarHBondContact O-N 3.29Å; L1170-I1174 HydrophobicContact CD1-CD1 3.79Å; L1170-I1174 HydrophobicContact CD1-CG1 4.45Å; L1170-I1174 HydrophobicContact CG-CD1 4.03Å; L1170-I1174 WeakPolarHBondContact O-CG1 3.46Å; L1170-I1174 PolarHBondContact O-N 3.11Å
1171	S	88	Confident	80.5	Confident	10 Å²	10	50.6 Å²	50.6	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-38.8	176.3	-65.1	0	0	0	0	112.2	R1167 R1168 R1169 I1174 N1175	R1167-S1171 WeakPolarHBondContact O-CB 3.45Å; R1167-S1171 PolarHBondContact O-N 2.94Å; R1167-S1171 PolarHBondContact O-OG 2.86Å; R1168-S1171 PolarHBondContact O-N 2.86Å; R1169-S1171 PolarHBondContact O-N 3Å; S1171-I1174 PolarHBondContact O-N 3.31Å; S1171-N1175 VanDerWaalsContact O-CB 3.24Å; S1171-N1175 WeakPolarHBondContact O-CB 3.49Å; S1171-N1175 PolarHBondContact O-N 3.3Å; S1171-N1175 PolarHBondContact O-ND2 3.14Å
1172	A	85.5	Confident	81.4	Confident	31 Å²	31	46 Å²	46	26%	0.256	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-44.7	175	0	0	0	0	0	112	L1046 R1168 R1169 N1175 L1176	L1046-A1172 HydrophobicContact CD1-CB 4.08Å; R1168-A1172 WeakPolarHBondContact O-CB 3.27Å; R1168-A1172 PolarHBondContact O-N 2.81Å; R1169-A1172 PolarHBondContact O-N 3.01Å; A1172-N1175 PolarHBondContact O-N 3.26Å; A1172-L1176 WeakPolarHBondContact O-CB 3.21Å; A1172-L1176 PolarHBondContact O-N 3.14Å
1173	L	87.4	Confident	81.6	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-50.6	174.3	173.2	61.6	0	0	0	111.6	Y1021 V1023 F1026 L1076 P1077 L1094 R1169 L1170 N1175 L1176 I1177	Y1021-L1173 HydrophobicContact CD2-CD2 4.22Å; Y1021-L1173 HydrophobicContact CE2-CD1 4.46Å; Y1021-L1173 HydrophobicContact CG-CD2 4.22Å; V1023-L1173 HydrophobicContact CG1-CD2 4.06Å; F1026-L1173 HydrophobicContact CE2-CD2 4.19Å; F1026-L1173 HydrophobicContact CZ-CB 4.24Å; F1026-L1173 HydrophobicContact CZ-CD2 3.9Å; L1076-L1173 HydrophobicContact CD2-CB 4.46Å; L1076-L1173 HydrophobicContact CD2-CD1 3.73Å; P1077-L1173 HydrophobicContact CG-CD2 3.91Å; L1094-L1173 HydrophobicContact CD2-CD2 3.73Å; L1094-L1173 HydrophobicContact CD2-CG 4.15Å; R1169-L1173 PolarHBondContact O-N 2.87Å; L1170-L1173 PolarHBondContact O-N 3.29Å; L1173-N1175 VanDerWaalsContact C-N 3.34Å; L1173-N1175 PolarHBondContact O-N 3.47Å; L1173-L1176 PolarHBondContact O-N 2.64Å; L1173-I1177 HydrophobicContact CD1-CD1 3.9Å; L1173-I1177 HydrophobicContact CD1-CG1 4.27Å; L1173-I1177 HydrophobicContact CG-CD1 4.03Å; L1173-I1177 WeakPolarHBondContact O-CG1 3.48Å; L1173-I1177 PolarHBondContact O-N 3.3Å
1174	I	88.7	Confident	81.7	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-39.8	-178.8	-73.1	166.2	0	0	0	111.3	L1094 L1101 L1143 L1170 S1171 I1177 R1178 L1187	L1094-I1174 HydrophobicContact CD1-CD1 4.39Å; L1094-I1174 HydrophobicContact CD2-CD1 4.25Å; L1094-I1174 HydrophobicContact CD2-CG1 3.76Å; L1101-I1174 HydrophobicContact CD1-CG1 4.27Å; L1101-I1174 HydrophobicContact CD1-CG2 3.9Å; L1143-I1174 HydrophobicContact CD1-CD1 3.82Å; L1170-I1174 HydrophobicContact CD1-CD1 3.79Å; L1170-I1174 HydrophobicContact CD1-CG1 4.45Å; L1170-I1174 HydrophobicContact CG-CD1 4.03Å; L1170-I1174 WeakPolarHBondContact O-CG1 3.46Å; L1170-I1174 PolarHBondContact O-N 3.11Å; S1171-I1174 PolarHBondContact O-N 3.31Å; I1174-I1177 PolarHBondContact O-N 3.1Å; I1174-R1178 WeakPolarHBondContact O-CG 3.36Å; I1174-R1178 PolarHBondContact O-N 3.32Å; I1174-L1187 HydrophobicContact CD1-CD1 4.04Å; I1174-L1187 HydrophobicContact CD1-CD2 4.2Å
1175	N	85.8	Confident	81.8	Confident	81 Å²	81	41.1 Å²	41.1	43%	0.433	18%	0.183	S	C	.	.	H	α-helix	trans	-69	-36.7	175.5	-71.9	-18.4	0	0	0	112	S1171 A1172 L1173 R1178 R1179	S1171-N1175 VanDerWaalsContact O-CB 3.24Å; S1171-N1175 WeakPolarHBondContact O-CB 3.49Å; S1171-N1175 PolarHBondContact O-N 3.3Å; S1171-N1175 PolarHBondContact O-ND2 3.14Å; A1172-N1175 PolarHBondContact O-N 3.26Å; L1173-N1175 VanDerWaalsContact C-N 3.34Å; L1173-N1175 PolarHBondContact O-N 3.47Å; N1175-R1178 PolarHBondContact O-N 3.39Å; N1175-R1179 VanDerWaalsContact O-CB 3.32Å; N1175-R1179 WeakPolarHBondContact O-CB 3.22Å; N1175-R1179 VanDerWaalsContact O-CG 3.24Å; N1175-R1179 WeakPolarHBondContact O-CG 3.46Å; N1175-R1179 PolarHBondContact O-N 2.89Å
1176	L	83.8	Confident	82	Confident	30 Å²	30	39.2 Å²	39.2	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-43.2	174.4	-179.2	68.2	0	0	0	111.7	L1046 L1076 A1172 L1173 R1179 R1180	L1046-L1176 HydrophobicContact CD2-CD2 3.98Å; L1076-L1176 HydrophobicContact CD1-CD2 3.54Å; L1076-L1176 HydrophobicContact CD2-CD2 3.71Å; L1076-L1176 HydrophobicContact CG-CD2 4.23Å; A1172-L1176 WeakPolarHBondContact O-CB 3.21Å; A1172-L1176 PolarHBondContact O-N 3.14Å; L1173-L1176 PolarHBondContact O-N 2.64Å; L1176-R1179 PolarHBondContact O-N 3.09Å; L1176-R1180 HydrophobicContact CD1-CG 4.5Å; L1176-R1180 WeakPolarHBondContact O-CG 3.17Å; L1176-R1180 PolarHBondContact O-N 3.16Å
1177	I	86.2	Confident	82.4	Confident	11 Å²	11	39.5 Å²	39.5	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-54.7	175.4	-64.3	161	0	0	0	108.8	Y1021 L1094 D1096 L1101 L1173 I1174 R1179 R1180 R1181	Y1021-I1177 HydrophobicContact CE2-CD1 4.35Å; L1094-I1177 HydrophobicContact CD2-CD1 4.37Å; D1096-I1177 HydrophobicContact CB-CD1 4.39Å; L1101-I1177 HydrophobicContact CD2-CD1 4.33Å; L1101-I1177 HydrophobicContact CD2-CG2 4.01Å; L1173-I1177 HydrophobicContact CD1-CD1 3.9Å; L1173-I1177 HydrophobicContact CD1-CG1 4.27Å; L1173-I1177 HydrophobicContact CG-CD1 4.03Å; L1173-I1177 WeakPolarHBondContact O-CG1 3.48Å; L1173-I1177 PolarHBondContact O-N 3.3Å; I1174-I1177 PolarHBondContact O-N 3.1Å; I1177-R1179 VanDerWaalsContact C-N 3.32Å; I1177-R1179 PolarHBondContact O-N 3.22Å; I1177-R1180 PolarHBondContact O-N 3.14Å; I1177-R1181 HydrophobicContact CG2-CG 4.19Å; I1177-R1181 WeakPolarHBondContact O-CG 3.49Å; I1177-R1181 PolarHBondContact O-N 3.27Å; I1177-R1181 VanDerWaalsContact O-N 3.14Å
1178	R	84.9	Confident	82.5	Confident	59 Å²	59	38.5 Å²	38.5	22%	0.223	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-34.9	178.9	-73.2	177.3	174.5	154.3	-1.6	113.9	I1174 N1175 R1180 N1185	I1174-R1178 WeakPolarHBondContact O-CG 3.36Å; I1174-R1178 PolarHBondContact O-N 3.32Å; N1175-R1178 PolarHBondContact O-N 3.39Å; R1178-R1180 VanDerWaalsContact C-N 3.31Å; R1178-R1180 PolarHBondContact O-N 3.16Å; R1178-N1185 PolarHBondContact NE-O 3.47Å; R1178-N1185 PolarHBondContact NH2-O 2.91Å
1179	R	79.4	Confident	82.8	Confident	173 Å²	173	33.1 Å²	33.1	65%	0.653	15%	0.151	S	C	*	.	H	α-helix	trans	-66.4	-27.9	173.8	-79.6	177.1	-177.8	-171	2.9	113.3	D1048 N1175 L1176 I1177	D1048-R1179 IonicContact OD1-NH1 3.11Å; D1048-R1179 PolarHBondContact OD1-NH1 3.31Å; D1048-R1179 VanDerWaalsContact OD1-NH1 3.1Å; D1048-R1179 IonicContact OD2-CZ 2.78Å; D1048-R1179 IonicContact OD2-NH1 3.85Å; D1048-R1179 PolarHBondContact OD2-NH1 3.09Å; N1175-R1179 VanDerWaalsContact O-CB 3.32Å; N1175-R1179 WeakPolarHBondContact O-CB 3.22Å; N1175-R1179 VanDerWaalsContact O-CG 3.24Å; N1175-R1179 WeakPolarHBondContact O-CG 3.46Å; N1175-R1179 PolarHBondContact O-N 2.89Å; L1176-R1179 PolarHBondContact O-N 3.09Å; I1177-R1179 VanDerWaalsContact C-N 3.32Å; I1177-R1179 PolarHBondContact O-N 3.22Å
1180	R	76.8	Confident	82.9	Confident	134 Å²	134	31.9 Å²	31.9	51%	0.506	15%	0.147	S	C	.	.	H	α-helix	trans	-92.4	-20	-177.2	-72.3	-178.3	179.4	-141.7	1.6	113.8	L1176 I1177 R1178	L1176-R1180 HydrophobicContact CD1-CG 4.5Å; L1176-R1180 WeakPolarHBondContact O-CG 3.17Å; L1176-R1180 PolarHBondContact O-N 3.16Å; I1177-R1180 PolarHBondContact O-N 3.14Å; R1178-R1180 VanDerWaalsContact C-N 3.31Å; R1178-R1180 PolarHBondContact O-N 3.16Å
1181	R	75	Confident	82.7	Confident	24 Å²	24	33.3 Å²	33.3	9%	0.091	15%	0.152	C	C	.	.	S	Bend	trans	-87.9	153.3	177.2	-62.7	-63.1	174.6	-151.6	-3.7	111.5	T1010 D1011 T1014 D1096 I1177 I1183	T1010-R1181 PolarHBondContact O-NH1 3.01Å; D1011-R1181 WeakPolarHBondContact OD1-CD 3.38Å; D1011-R1181 IonicContact OD1-CZ 3.05Å; D1011-R1181 IonicContact OD1-NE 2.65Å; D1011-R1181 IonicContact OD1-NH1 3.91Å; D1011-R1181 PolarHBondContact OD1-NH1 3.43Å; T1014-R1181 PolarHBondContact OG1-NH1 3.4Å; T1014-R1181 PolarHBondContact OG1-NH2 3.45Å; D1096-R1181 IonicContact OD2-CZ 3.7Å; D1096-R1181 IonicContact OD2-NE 3.35Å; D1096-R1181 IonicContact OD2-NH2 3.6Å; D1096-R1181 PolarHBondContact OD2-NH2 2.8Å; I1177-R1181 HydrophobicContact CG2-CG 4.19Å; I1177-R1181 WeakPolarHBondContact O-CG 3.49Å; I1177-R1181 PolarHBondContact O-N 3.27Å; I1177-R1181 VanDerWaalsContact O-N 3.14Å; R1181-I1183 WeakPolarHBondContact CB-O 3.28Å
1182	P	67.6	Low	82.3	Confident	13 Å²	13	35.7 Å²	35.7	8%	0.084	16%	0.162	C	C	.	.	S	Bend	trans	-71.1	-34.2	159.5	27.8	-30.5	0	0	0	112.1	R806 D851 D1011	R806-P1182 VanDerWaalsContact CD-O 3.29Å; R806-P1182 WeakPolarHBondContact CD-O 3.46Å; R806-P1182 WeakPolarHBondContact CG-O 3.41Å; R806-P1182 PolarHBondContact NE-O 3.17Å; R806-P1182 VanDerWaalsContact NE-O 3.13Å; D851-P1182 HydrophobicContact CB-CB 3.56Å; D851-P1182 HydrophobicContact CB-CG 4.16Å; D851-P1182 VanDerWaalsContact CG-CB 3.4Å; D851-P1182 WeakPolarHBondContact OD1-CB 3.43Å; D1011-P1182 WeakPolarHBondContact OD2-CD 3.36Å; D1011-P1182 WeakPolarHBondContact OD2-CG 3.41Å
1183	I	69.3	Low	81.9	Confident	25 Å²	25	38.1 Å²	38.1	13%	0.128	17%	0.171	C	C	.	.	S	Bend	trans	-85.2	141	-176.2	-67	158.8	0	0	0	110.7	D803 R1003 R1181 N1185	D803-I1183 WeakPolarHBondContact OD1-CG2 3.43Å; R1003-I1183 VanDerWaalsContact NH2-CD1 3.29Å; R1181-I1183 WeakPolarHBondContact CB-O 3.28Å; I1183-N1185 VanDerWaalsContact C-N 3.31Å; I1183-N1185 WeakPolarHBondContact CG2-OD1 3.44Å; I1183-N1185 PolarHBondContact O-N 3.1Å; I1183-N1185 PolarHBondContact O-OD1 3.25Å; I1183-N1185 VanDerWaalsContact O-OD1 3.04Å
1184	N	72.6	Confident	81.4	Confident	61 Å²	61	38.5 Å²	38.5	33%	0.326	17%	0.173	S	C	.	.			trans	-89.4	64.6	174.8	179.3	9.7	0	0	0	110.1	R802 A1186	R802-N1184 HydrophobicContact CB-CB 4.36Å; R802-N1184 VanDerWaalsContact CD-O 3.31Å; R802-N1184 WeakPolarHBondContact CD-O 3.23Å; R802-N1184 PolarHBondContact NE-O 2.88Å; R802-N1184 PolarHBondContact NH2-ND2 3.4Å; R802-N1184 PolarHBondContact NH2-OD1 2.59Å; N1184-A1186 PolarHBondContact O-N 3.11Å
1185	N	81.6	Confident	80.7	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.189	C	C	.	.			trans	-45.4	129.7	-168.2	-60.7	43.2	0	0	0	112.9	G1098 E1099 L1101 R1178 I1183	G1098-N1185 PolarHBondContact O-ND2 3.49Å; E1099-N1185 VanDerWaalsContact C-ND2 3.28Å; E1099-N1185 PolarHBondContact N-ND2 2.85Å; E1099-N1185 WeakPolarHBondContact O-CB 3.39Å; E1099-N1185 PolarHBondContact O-ND2 2.87Å; L1101-N1185 HydrophobicContact CD1-CB 4.41Å; L1101-N1185 HydrophobicContact CD2-CB 4.33Å; L1101-N1185 HydrophobicContact CG-CB 3.89Å; R1178-N1185 PolarHBondContact NE-O 3.47Å; R1178-N1185 PolarHBondContact NH2-O 2.91Å; I1183-N1185 VanDerWaalsContact C-N 3.31Å; I1183-N1185 WeakPolarHBondContact CG2-OD1 3.44Å; I1183-N1185 PolarHBondContact O-N 3.1Å; I1183-N1185 PolarHBondContact O-OD1 3.25Å; I1183-N1185 VanDerWaalsContact O-OD1 3.04Å
1186	A	85.7	Confident	80.2	Confident	2 Å²	2	41.1 Å²	41.1	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.1	174.2	0	0	0	0	0	110.3	E798 L1100 L1101 N1184	E798-A1186 HydrophobicContact CG-CB 3.82Å; L1100-A1186 HydrophobicContact CD2-CB 3.92Å; L1101-A1186 PolarHBondContact N-O 3.16Å; N1184-A1186 PolarHBondContact O-N 3.11Å
1187	L	89.6	Confident	80	Confident	6 Å²	6	46 Å²	46	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123	170.5	179	69.6	0	0	0	107.3	L1094 L1101 L1103 F1141 L1143 I1174	L1094-L1187 HydrophobicContact CD1-CD1 3.93Å; L1101-L1187 HydrophobicContact CB-CD1 3.88Å; L1101-L1187 WeakPolarHBondContact O-CA 3.4Å; L1103-L1187 HydrophobicContact CB-CD1 4.13Å; F1141-L1187 HydrophobicContact CD1-CD2 3.9Å; F1141-L1187 HydrophobicContact CD1-CG 4.46Å; F1141-L1187 PolarHBondContact N-O 3.31Å; F1141-L1187 WeakPolarHBondContact O-CB 3.49Å; L1143-L1187 HydrophobicContact CD1-CD2 4.19Å; L1143-L1187 HydrophobicContact CD2-CD2 4.25Å; L1143-L1187 HydrophobicContact CG-CD2 3.78Å; I1174-L1187 HydrophobicContact CD1-CD1 4.04Å; I1174-L1187 HydrophobicContact CD1-CD2 4.2Å
1188	V	88.8	Confident	79.8	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.5	-179.4	179.5	0	0	0	0	107.5	I795 L1100 L1101 L1102 L1103 G1139 L1198	I795-V1188 HydrophobicContact CD1-CG1 3.76Å; I795-V1188 HydrophobicContact CD1-CG2 4.33Å; I795-V1188 HydrophobicContact CG1-CG1 4.26Å; I795-V1188 HydrophobicContact CG1-CG2 4.19Å; I795-V1188 HydrophobicContact CG2-CG2 3.97Å; L1100-V1188 HydrophobicContact CD2-CG2 4.43Å; L1101-V1188 PolarHBondContact O-N 3.01Å; L1102-V1188 WeakPolarHBondContact CA-O 3.14Å; L1102-V1188 HydrophobicContact CD2-CB 3.81Å; L1102-V1188 HydrophobicContact CD2-CG1 4.26Å; L1102-V1188 HydrophobicContact CD2-CG2 4.29Å; L1103-V1188 PolarHBondContact N-O 3.02Å; G1139-V1188 CarbonylContact O-C 3.52Å; G1139-V1188 WeakPolarHBondContact O-CA 3.48Å; V1188-L1198 HydrophobicContact CG1-CD1 4.42Å; V1188-L1198 HydrophobicContact CG1-CD2 4.03Å
1189	L	88.2	Confident	79.8	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.5	175.9	175.4	147.8	0	0	0	109.5	I1126 L1134 G1138 G1139 F1141	I1126-L1189 HydrophobicContact CD1-CD1 4.35Å; L1134-L1189 HydrophobicContact CB-CD2 4.08Å; L1134-L1189 HydrophobicContact CD1-CD1 4.14Å; L1134-L1189 HydrophobicContact CD1-CD2 4.01Å; L1134-L1189 HydrophobicContact CD1-CG 4.47Å; L1134-L1189 HydrophobicContact CD2-CD1 3.66Å; L1134-L1189 HydrophobicContact CD2-CD2 3.77Å; L1134-L1189 HydrophobicContact CD2-CG 4.37Å; L1134-L1189 HydrophobicContact CG-CD1 4.49Å; L1134-L1189 HydrophobicContact CG-CD2 4.14Å; G1138-L1189 VanDerWaalsContact CA-O 3.31Å; G1138-L1189 WeakPolarHBondContact CA-O 3.4Å; G1139-L1189 PolarHBondContact N-O 3.29Å; G1139-L1189 PolarHBondContact O-N 2.69Å; F1141-L1189 HydrophobicContact CB-CB 3.61Å; F1141-L1189 HydrophobicContact CD1-CB 4.07Å; F1141-L1189 HydrophobicContact CD1-CD1 3.93Å; F1141-L1189 HydrophobicContact CD2-CB 4.47Å; F1141-L1189 HydrophobicContact CD2-CD1 4.24Å; F1141-L1189 HydrophobicContact CE1-CD1 3.96Å; F1141-L1189 HydrophobicContact CE2-CD1 4.29Å; F1141-L1189 HydrophobicContact CG-CB 3.82Å; F1141-L1189 HydrophobicContact CG-CD1 4.07Å; F1141-L1189 HydrophobicContact CZ-CD1 4.15Å
1190	M	87.7	Confident	80.1	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145	176.4	66.1	-176.5	-64.6	0	0	111.4	L1102 L1103 L1104 V1105 L1198 F1202	L1102-M1190 HydrophobicContact CB-SD 4.42Å; L1103-M1190 PolarHBondContact O-N 3Å; L1104-M1190 WeakPolarHBondContact CA-O 3.35Å; L1104-M1190 HydrophobicContact CB-CG 4.14Å; L1104-M1190 HydrophobicContact CD1-CE 4.3Å; L1104-M1190 HydrophobicContact CD1-CG 3.98Å; L1104-M1190 HydrophobicContact CD1-SD 4.43Å; V1105-M1190 PolarHBondContact N-O 3.41Å; M1190-L1198 HydrophobicContact CB-CD1 4.27Å; M1190-L1198 HydrophobicContact CE-CB 4.28Å; M1190-F1202 HydrophobicContact CE-CB 3.82Å; M1190-F1202 HydrophobicContact CE-CD2 4.48Å; M1190-F1202 HydrophobicContact CE-CG 4.22Å; M1190-F1202 HydrophobicContact SD-CB 3.9Å; M1190-F1202 HydrophobicContact SD-CD2 3.71Å; M1190-F1202 HydrophobicContact SD-CG 4.03Å
1191	R	84.8	Confident	80.6	Confident	30 Å²	30	39.6 Å²	39.6	11%	0.113	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	160.6	167.6	-70.2	159.7	51.2	156.8	-3.9	110.4	V1105 L1134 D1193 S1194	V1105-R1191 CarbonylContact O-C 3.54Å; V1105-R1191 WeakPolarHBondContact O-CA 3.49Å; L1134-R1191 HydrophobicContact CB-CG 4.04Å; L1134-R1191 HydrophobicContact CD1-CG 4.39Å; L1134-R1191 WeakPolarHBondContact O-CD 3.42Å; L1134-R1191 PolarHBondContact O-NH1 3.43Å; R1191-D1193 WeakPolarHBondContact CB-OD1 3.46Å; R1191-D1193 IonicContact CZ-OD1 3.25Å; R1191-D1193 IonicContact CZ-OD2 2.7Å; R1191-D1193 IonicContact NE-OD1 3.29Å; R1191-D1193 PolarHBondContact NE-OD1 3.01Å; R1191-D1193 IonicContact NE-OD2 2.75Å; R1191-D1193 IonicContact NH2-OD1 2.68Å; R1191-D1193 PolarHBondContact NH2-OD1 3.05Å; R1191-D1193 IonicContact NH2-OD2 2.77Å; R1191-D1193 PolarHBondContact NH2-OD2 3.4Å; R1191-D1193 PolarHBondContact O-N 2.88Å; R1191-S1194 VanDerWaalsContact O-CB 3.23Å; R1191-S1194 WeakPolarHBondContact O-CB 3.46Å; R1191-S1194 PolarHBondContact O-N 2.89Å; R1191-S1194 VanDerWaalsContact O-N 3.13Å; R1191-S1194 PolarHBondContact O-OG 3.17Å
1192	H	78.6	Confident	81.3	Confident	59 Å²	59	38.8 Å²	38.8	27%	0.273	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.5	173.3	178.2	-94.8	0	0	0	113	L1104 V1105 C1107 S1194 R1199	L1104-H1192 HydrophobicContact CD1-CB 4.4Å; V1105-H1192 PolarHBondContact O-N 3.33Å; C1107-H1192 HydrophobicContact CB-CB 4.44Å; H1192-S1194 VanDerWaalsContact C-N 3.32Å; H1192-R1199 PolarHBondContact CD2-NH1 2.85Å; H1192-R1199 VanDerWaalsContact CD2-NH1 3.3Å; H1192-R1199 PolarHBondContact CE1-NH1 3.22Å; H1192-R1199 VanDerWaalsContact CE1-NH1 3.3Å; H1192-R1199 PolarHBondContact NE2-NH1 3.46Å; H1192-R1199 PolarHBondContact O-NH1 2.61Å
1193	D	77.9	Confident	82.3	Confident	83 Å²	83	41.6 Å²	41.6	44%	0.444	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	23.7	175.9	64.3	-29.9	0	0	0	113.5	C1107 R1191	C1107-D1193 PolarHBondContact SG-OD1 3.37Å; C1107-D1193 VanDerWaalsContact SG-OD1 3.36Å; R1191-D1193 WeakPolarHBondContact CB-OD1 3.46Å; R1191-D1193 IonicContact CZ-OD1 3.25Å; R1191-D1193 IonicContact CZ-OD2 2.7Å; R1191-D1193 IonicContact NE-OD1 3.29Å; R1191-D1193 PolarHBondContact NE-OD1 3.01Å; R1191-D1193 IonicContact NE-OD2 2.75Å; R1191-D1193 IonicContact NH2-OD1 2.68Å; R1191-D1193 PolarHBondContact NH2-OD1 3.05Å; R1191-D1193 IonicContact NH2-OD2 2.77Å; R1191-D1193 PolarHBondContact NH2-OD2 3.4Å; R1191-D1193 PolarHBondContact O-N 2.88Å
1194	S	76.2	Confident	83.2	Confident	11 Å²	11	43.4 Å²	43.4	8%	0.077	24%	0.242	C	C	.	.			trans	-67.8	168.8	-178.2	73.4	0	0	0	0	114.5	A1136 R1191 H1192	A1136-S1194 VanDerWaalsContact O-CA 3.24Å; A1136-S1194 WeakPolarHBondContact O-CA 3.34Å; R1191-S1194 VanDerWaalsContact O-CB 3.23Å; R1191-S1194 WeakPolarHBondContact O-CB 3.46Å; R1191-S1194 PolarHBondContact O-N 2.89Å; R1191-S1194 VanDerWaalsContact O-N 3.13Å; R1191-S1194 PolarHBondContact O-OG 3.17Å; H1192-S1194 VanDerWaalsContact C-N 3.32Å
1195	S	74.2	Confident	84.2	Confident	48 Å²	48	41.2 Å²	41.2	34%	0.336	23%	0.232	S	C	.	.			trans	-41.7	141.4	171.1	63	0	0	0	0	113.1	Q1137 N1197 L1198 R1199	Q1137-S1195 PolarHBondContact O-OG 3.23Å; S1195-N1197 PolarHBondContact O-N 2.98Å; S1195-N1197 VanDerWaalsContact O-N 3.16Å; S1195-L1198 PolarHBondContact O-N 3.11Å; S1195-L1198 VanDerWaalsContact O-N 3.14Å; S1195-R1199 PolarHBondContact O-N 3.15Å
1196	S	75.9	Confident	84.8	Confident	90 Å²	90	41.3 Å²	41.3	63%	0.629	23%	0.233	S	C	*	.	H	α-helix	trans	-53.2	-37.6	-176.6	48.8	0	0	0	0	112.7	R1199 S1200	S1196-R1199 PolarHBondContact O-N 3.34Å; S1196-S1200 WeakPolarHBondContact O-CB 3.35Å; S1196-S1200 PolarHBondContact O-N 2.85Å
1197	N	79.6	Confident	85.2	Confident	131 Å²	131	41.6 Å²	41.6	70%	0.701	23%	0.234	S	C	*	.	H	α-helix	trans	-64.3	-48.2	179.6	-64.7	-6.3	0	0	0	112.1	S1195 S1200 L1201	S1195-N1197 PolarHBondContact O-N 2.98Å; S1195-N1197 VanDerWaalsContact O-N 3.16Å; N1197-S1200 PolarHBondContact O-N 3.46Å; N1197-L1201 WeakPolarHBondContact O-CB 3.42Å; N1197-L1201 PolarHBondContact O-N 3.26Å
1198	L	82.1	Confident	85.4	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-40.5	176.9	-91	178.8	0	0	0	112.2	I795 Q1137 V1188 M1190 S1195 S1200 L1201 F1202	I795-L1198 HydrophobicContact CD1-CD1 4.39Å; I795-L1198 HydrophobicContact CD1-CD2 3.65Å; I795-L1198 HydrophobicContact CD1-CG 4.21Å; Q1137-L1198 WeakPolarHBondContact O-CD1 3.2Å; V1188-L1198 HydrophobicContact CG1-CD1 4.42Å; V1188-L1198 HydrophobicContact CG1-CD2 4.03Å; M1190-L1198 HydrophobicContact CB-CD1 4.27Å; M1190-L1198 HydrophobicContact CE-CB 4.28Å; S1195-L1198 PolarHBondContact O-N 3.11Å; S1195-L1198 VanDerWaalsContact O-N 3.14Å; L1198-S1200 VanDerWaalsContact C-N 3.34Å; L1198-S1200 PolarHBondContact O-N 3.09Å; L1198-L1201 HydrophobicContact CD2-CD2 4.43Å; L1198-L1201 PolarHBondContact O-N 2.84Å; L1198-F1202 WeakPolarHBondContact O-CB 3.45Å; L1198-F1202 PolarHBondContact O-N 3.1Å
1199	R	85.3	Confident	85.7	Confident	91 Å²	91	44.2 Å²	44.2	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-40.6	176.4	-172.4	174.4	173.4	87.7	10.1	111.4	H1192 S1195 S1196 L1203	H1192-R1199 PolarHBondContact CD2-NH1 2.85Å; H1192-R1199 VanDerWaalsContact CD2-NH1 3.3Å; H1192-R1199 PolarHBondContact CE1-NH1 3.22Å; H1192-R1199 VanDerWaalsContact CE1-NH1 3.3Å; H1192-R1199 PolarHBondContact NE2-NH1 3.46Å; H1192-R1199 PolarHBondContact O-NH1 2.61Å; S1195-R1199 PolarHBondContact O-N 3.15Å; S1196-R1199 PolarHBondContact O-N 3.34Å; R1199-L1203 HydrophobicContact CG-CD1 3.97Å; R1199-L1203 WeakPolarHBondContact O-CB 3.37Å; R1199-L1203 VanDerWaalsContact O-CG 3.25Å; R1199-L1203 WeakPolarHBondContact O-CG 3.37Å; R1199-L1203 PolarHBondContact O-N 3.01Å
1200	S	85.1	Confident	86	Confident	76 Å²	76	50.7 Å²	50.7	53%	0.531	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-45.7	175.2	-176.7	0	0	0	0	111.9	S1196 N1197 L1198 F1202 L1203 S1204	S1196-S1200 WeakPolarHBondContact O-CB 3.35Å; S1196-S1200 PolarHBondContact O-N 2.85Å; N1197-S1200 PolarHBondContact O-N 3.46Å; L1198-S1200 VanDerWaalsContact C-N 3.34Å; L1198-S1200 PolarHBondContact O-N 3.09Å; S1200-F1202 PolarHBondContact O-N 3.17Å; S1200-L1203 PolarHBondContact O-N 3.43Å; S1200-S1204 WeakPolarHBondContact O-CB 3.4Å; S1200-S1204 PolarHBondContact O-N 2.76Å; S1200-S1204 PolarHBondContact O-OG 3Å
1201	L	86.5	Confident	86.2	Confident	65 Å²	65	53.1 Å²	53.1	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-56.3	-51.2	174.7	177.1	62.7	0	0	0	111.5	L1100 L1102 N1197 L1198 S1204 C1205	L1100-L1201 HydrophobicContact CD1-CD2 4.21Å; L1102-L1201 HydrophobicContact CD1-CD2 4.31Å; L1102-L1201 HydrophobicContact CD1-CG 4.32Å; N1197-L1201 WeakPolarHBondContact O-CB 3.42Å; N1197-L1201 PolarHBondContact O-N 3.26Å; L1198-L1201 HydrophobicContact CD2-CD2 4.43Å; L1198-L1201 PolarHBondContact O-N 2.84Å; L1201-S1204 PolarHBondContact O-N 2.99Å; L1201-S1204 PolarHBondContact O-OG 3.34Å; L1201-C1205 PolarHBondContact O-N 2.94Å; L1201-C1205 PolarHBondContact O-SG 3.47Å; L1201-C1205 VanDerWaalsContact O-SG 3.36Å
1202	F	90.3	Very high	86.2	Confident	8 Å²	8	61.8 Å²	61.8	4%	0.035	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-45.9	179.5	-175.6	-80.2	0	0	0	112.1	L1020 I1087 L1095 L1102 L1104 M1190 L1198 S1200 S1204 C1205 M1206	L1020-F1202 HydrophobicContact CD1-CZ 4.29Å; I1087-F1202 HydrophobicContact CD1-CE1 3.48Å; I1087-F1202 VanDerWaalsContact CD1-CE1 3.48Å; I1087-F1202 HydrophobicContact CD1-CZ 3.71Å; L1095-F1202 HydrophobicContact CB-CE2 3.97Å; L1095-F1202 HydrophobicContact CD2-CD2 3.79Å; L1095-F1202 HydrophobicContact CD2-CE2 3.71Å; L1095-F1202 HydrophobicContact CD2-CG 4.43Å; L1095-F1202 HydrophobicContact CD2-CZ 4.29Å; L1095-F1202 HydrophobicContact CG-CE2 4.49Å; L1102-F1202 HydrophobicContact CB-CD2 4.18Å; L1102-F1202 HydrophobicContact CD1-CB 4.21Å; L1102-F1202 HydrophobicContact CD1-CD2 4.01Å; L1104-F1202 HydrophobicContact CB-CE2 3.94Å; L1104-F1202 HydrophobicContact CB-CZ 4.32Å; L1104-F1202 HydrophobicContact CD2-CD1 4.47Å; L1104-F1202 HydrophobicContact CD2-CE1 3.83Å; L1104-F1202 HydrophobicContact CD2-CE2 4.01Å; L1104-F1202 HydrophobicContact CD2-CZ 3.58Å; M1190-F1202 HydrophobicContact CE-CB 3.82Å; M1190-F1202 HydrophobicContact CE-CD2 4.48Å; M1190-F1202 HydrophobicContact CE-CG 4.22Å; M1190-F1202 HydrophobicContact SD-CB 3.9Å; M1190-F1202 HydrophobicContact SD-CD2 3.71Å; M1190-F1202 HydrophobicContact SD-CG 4.03Å; L1198-F1202 WeakPolarHBondContact O-CB 3.45Å; L1198-F1202 PolarHBondContact O-N 3.1Å; S1200-F1202 PolarHBondContact O-N 3.17Å; F1202-S1204 VanDerWaalsContact C-N 3.34Å; F1202-S1204 PolarHBondContact O-N 3.29Å; F1202-C1205 WeakPolarHBondContact O-CB 3.48Å; F1202-C1205 PolarHBondContact O-N 3.44Å; F1202-M1206 HydrophobicContact CD1-CE 4.32Å; F1202-M1206 HydrophobicContact CE1-CE 3.78Å; F1202-M1206 HydrophobicContact CE1-SD 4.36Å; F1202-M1206 HydrophobicContact CZ-CE 4.02Å
1203	L	89.1	Confident	86.5	Confident	71 Å²	71	61 Å²	61	37%	0.372	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-32.6	178.4	-70.8	172.7	0	0	0	112.6	R1199 S1200 C1205 M1206	R1199-L1203 HydrophobicContact CG-CD1 3.97Å; R1199-L1203 WeakPolarHBondContact O-CB 3.37Å; R1199-L1203 VanDerWaalsContact O-CG 3.25Å; R1199-L1203 WeakPolarHBondContact O-CG 3.37Å; R1199-L1203 PolarHBondContact O-N 3.01Å; S1200-L1203 PolarHBondContact O-N 3.43Å; L1203-C1205 PolarHBondContact O-N 3.33Å; L1203-M1206 WeakPolarHBondContact O-CB 3.17Å; L1203-M1206 PolarHBondContact O-N 3.21Å
1204	S	88.1	Confident	87.1	Confident	63 Å²	63	58.1 Å²	58.1	44%	0.441	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-20.1	175.2	76.5	0	0	0	0	113.5	S1200 L1201 F1202	S1200-S1204 WeakPolarHBondContact O-CB 3.4Å; S1200-S1204 PolarHBondContact O-N 2.76Å; S1200-S1204 PolarHBondContact O-OG 3Å; L1201-S1204 PolarHBondContact O-N 2.99Å; L1201-S1204 PolarHBondContact O-OG 3.34Å; F1202-S1204 VanDerWaalsContact C-N 3.34Å; F1202-S1204 PolarHBondContact O-N 3.29Å
1205	C	92.1	Very high	87.9	Confident	16 Å²	16	60.3 Å²	60.3	11%	0.108	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.4	173.4	-60.4	0	0	0	0	113.6	P1018 L1095 L1201 F1202 L1203 V1207	P1018-C1205 HydrophobicContact CG-CB 4.21Å; L1095-C1205 HydrophobicContact CD2-CB 3.74Å; L1201-C1205 PolarHBondContact O-N 2.94Å; L1201-C1205 PolarHBondContact O-SG 3.47Å; L1201-C1205 VanDerWaalsContact O-SG 3.36Å; F1202-C1205 WeakPolarHBondContact O-CB 3.48Å; F1202-C1205 PolarHBondContact O-N 3.44Å; L1203-C1205 PolarHBondContact O-N 3.33Å; C1205-V1207 PolarHBondContact O-N 2.94Å
1206	M	94.1	Very high	89	Confident	3 Å²	3	59 Å²	59	2%	0.015	33%	0.326	C	S	.	.			trans	-80.7	70.7	174.1	-58.6	-60.4	108.3	0	0	109.8	R982 L1082 I1087 L1095 F1202 L1203 E1208 D1209	R982-M1206 PolarHBondContact NH1-O 2.71Å; L1082-M1206 HydrophobicContact CD2-CE 4.38Å; L1082-M1206 CarbonylContact O-C 3.6Å; L1082-M1206 VanDerWaalsContact O-CA 3.22Å; L1082-M1206 WeakPolarHBondContact O-CA 3.29Å; I1087-M1206 HydrophobicContact CD1-CE 4.48Å; I1087-M1206 HydrophobicContact CD1-SD 3.86Å; L1095-M1206 HydrophobicContact CD1-CE 4.34Å; L1095-M1206 HydrophobicContact CD2-CE 3.98Å; F1202-M1206 HydrophobicContact CD1-CE 4.32Å; F1202-M1206 HydrophobicContact CE1-CE 3.78Å; F1202-M1206 HydrophobicContact CE1-SD 4.36Å; F1202-M1206 HydrophobicContact CZ-CE 4.02Å; L1203-M1206 WeakPolarHBondContact O-CB 3.17Å; L1203-M1206 PolarHBondContact O-N 3.21Å; M1206-E1208 PolarHBondContact O-N 2.91Å; M1206-E1208 VanDerWaalsContact O-N 3.09Å; M1206-D1209 HydrophobicContact CB-CB 4.4Å; M1206-D1209 WeakPolarHBondContact CB-OD2 3.44Å; M1206-D1209 PolarHBondContact O-N 3.46Å
1207	V	94.3	Very high	89.9	Confident	8 Å²	8	55.5 Å²	55.5	5%	0.048	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-4.6	-169.4	-57	0	0	0	0	115	R982 Y1017 L1082 C1205	R982-V1207 WeakPolarHBondContact CD-O 3.34Å; R982-V1207 PolarHBondContact NE-O 3.5Å; R982-V1207 VanDerWaalsContact NE-O 3.1Å; R982-V1207 PolarHBondContact NH1-O 2.79Å; R982-V1207 PolarHBondContact NH2-O 3.36Å; Y1017-V1207 HydrophobicContact CD2-CG2 3.56Å; Y1017-V1207 HydrophobicContact CE2-CG2 3.77Å; L1082-V1207 HydrophobicContact CB-CG2 4.05Å; L1082-V1207 HydrophobicContact CD1-CG2 3.65Å; L1082-V1207 PolarHBondContact O-N 2.95Å; C1205-V1207 PolarHBondContact O-N 2.94Å
1208	E	95.3	Very high	90.6	Very high	19 Å²	19	52.9 Å²	52.9	9%	0.089	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-27.2	173.9	-68.5	168.6	-128.2	0	0	113	L975 Y1017 H1081 L1082 M1206 S1216 Y1217	L975-E1208 HydrophobicContact CD1-CG 3.58Å; Y1017-E1208 WeakPolarHBondContact CE2-OE1 3.31Å; Y1017-E1208 PolarHBondContact OH-OE1 3.39Å; H1081-E1208 IonicContact CE1-OE2 3.96Å; H1081-E1208 IonicContact CG-OE1 3.49Å; H1081-E1208 IonicContact CG-OE2 3.12Å; H1081-E1208 IonicContact ND1-OE1 3.73Å; H1081-E1208 PolarHBondContact ND1-OE1 3.46Å; H1081-E1208 IonicContact ND1-OE2 3.87Å; H1081-E1208 PolarHBondContact ND1-OE2 3.35Å; L1082-E1208 PolarHBondContact N-OE1 3.5Å; L1082-E1208 WeakPolarHBondContact O-CB 3.43Å; L1082-E1208 PolarHBondContact O-N 3.49Å; L1082-E1208 VanDerWaalsContact O-N 3.08Å; M1206-E1208 PolarHBondContact O-N 2.91Å; M1206-E1208 VanDerWaalsContact O-N 3.09Å; E1208-S1216 WeakPolarHBondContact O-CA 3.48Å; E1208-S1216 WeakPolarHBondContact O-CB 3.27Å; E1208-Y1217 HydrophobicContact CG-CG 4.5Å; E1208-Y1217 PolarHBondContact O-N 3.2Å
1209	D	94.9	Very high	91.2	Very high	42 Å²	42	55.1 Å²	55.1	23%	0.225	29%	0.293	C	S	.	.	S	Bend	trans	-74.6	150.1	-176.3	-69.3	-27.8	0	0	0	112.5	R982 S1083 A1084 M1206	R982-D1209 PolarHBondContact NH1-O 3.02Å; R982-D1209 PolarHBondContact NH2-O 2.88Å; S1083-D1209 WeakPolarHBondContact CA-OD1 3.37Å; S1083-D1209 WeakPolarHBondContact CA-OD2 3.48Å; S1083-D1209 WeakPolarHBondContact CB-OD1 3.27Å; S1083-D1209 PolarHBondContact OG-OD1 3.23Å; A1084-D1209 WeakPolarHBondContact CB-OD2 3.31Å; A1084-D1209 PolarHBondContact N-OD2 2.79Å; M1206-D1209 HydrophobicContact CB-CB 4.4Å; M1206-D1209 WeakPolarHBondContact CB-OD2 3.44Å; M1206-D1209 PolarHBondContact O-N 3.46Å
1210	K	94.5	Very high	91.7	Very high	137 Å²	137	51 Å²	51	60%	0.596	28%	0.278	S	S	*	.			trans	-66.8	138.4	173	-171	169	-173.2	159.1	0	110.8	E1219	K1210-E1219 WeakPolarHBondContact CD-OE2 3.28Å; K1210-E1219 WeakPolarHBondContact CE-OE1 3.32Å; K1210-E1219 IonicContact NZ-OE1 2.76Å; K1210-E1219 PolarHBondContact NZ-OE1 3.06Å; K1210-E1219 IonicContact NZ-OE2 3.71Å
1211	T	90.6	Very high	92.2	Very high	53 Å²	53	47.4 Å²	47.4	33%	0.325	25%	0.252	S	S	.	.			trans	-120.3	172.1	167.4	69.2	0	0	0	0	110.2	S1213 A1214	T1211-S1213 PolarHBondContact O-N 3.42Å; T1211-S1213 PolarHBondContact OG1-N 2.95Å; T1211-S1213 PolarHBondContact OG1-OG 2.84Å; T1211-A1214 PolarHBondContact N-O 2.9Å; T1211-A1214 VanDerWaalsContact N-O 3.09Å; T1211-A1214 WeakPolarHBondContact OG1-CB 3.31Å; T1211-A1214 PolarHBondContact OG1-N 2.91Å; T1211-A1214 PolarHBondContact OG1-O 3.45Å
1212	E	85.4	Confident	92.5	Very high	213 Å²	213	48.8 Å²	48.8	100%	0.995	26%	0.257	S	S	*	.	S	Bend	trans	-60	-25.7	175.4	-61.8	176.5	168	0	0	112.9
1213	S	84.9	Confident	92.7	Very high	43 Å²	43	52 Å²	52	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-116	-10.4	-170.2	54.5	0	0	0	0	114.7	V990 T1211	V990-S1213 WeakPolarHBondContact CG2-OG 3.44Å; T1211-S1213 PolarHBondContact O-N 3.42Å; T1211-S1213 PolarHBondContact OG1-N 2.95Å; T1211-S1213 PolarHBondContact OG1-OG 2.84Å
1214	A	90.8	Very high	93	Very high	21 Å²	21	48.7 Å²	48.7	17%	0.174	26%	0.255	C	S	.	.	S	Bend	trans	-141.1	135.2	-179	0	0	0	0	0	112.5	R982 T1211	R982-A1214 HydrophobicContact CG-CB 4.2Å; T1211-A1214 PolarHBondContact N-O 2.9Å; T1211-A1214 VanDerWaalsContact N-O 3.09Å; T1211-A1214 WeakPolarHBondContact OG1-CB 3.31Å; T1211-A1214 PolarHBondContact OG1-N 2.91Å; T1211-A1214 PolarHBondContact OG1-O 3.45Å
1215	P	93.8	Very high	93.2	Very high	57 Å²	57	46.7 Å²	46.7	37%	0.37	24%	0.239	S	C	.	.			trans	-64	144.6	174.6	28.1	-34.5	0	0	0	110.9	R982 E1219	R982-P1215 PolarHBondContact NH2-O 3.31Å; P1215-E1219 HydrophobicContact CB-CB 3.62Å
1216	S	95.4	Very high	93.2	Very high	22 Å²	22	50.1 Å²	50.1	15%	0.154	26%	0.256	C	S	.	.			trans	-55.6	164	169.3	59.5	0	0	0	0	112.1	E1208 Q1218 E1219 F1220	E1208-S1216 WeakPolarHBondContact O-CA 3.48Å; E1208-S1216 WeakPolarHBondContact O-CB 3.27Å; S1216-Q1218 PolarHBondContact O-N 3.01Å; S1216-E1219 WeakPolarHBondContact CB-OE2 3.36Å; S1216-E1219 PolarHBondContact N-OE2 3.19Å; S1216-E1219 PolarHBondContact O-N 3.49Å; S1216-E1219 VanDerWaalsContact O-N 3.13Å; S1216-E1219 VanDerWaalsContact OG-CD 3.31Å; S1216-E1219 WeakPolarHBondContact OG-CG 3.16Å; S1216-E1219 PolarHBondContact OG-N 3.35Å; S1216-E1219 PolarHBondContact OG-OE2 3.3Å; S1216-F1220 WeakPolarHBondContact O-CB 3.45Å; S1216-F1220 PolarHBondContact O-N 2.9Å
1217	Y	95.9	Very high	93	Very high	15 Å²	15	52.7 Å²	52.7	6%	0.059	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-38	176.7	178.5	-119	0	0	0	112.5	L405 P974 L975 C978 E1208 F1220 L1221	L405-Y1217 HydrophobicContact CD1-CE1 3.74Å; L405-Y1217 VanDerWaalsContact CD1-OH 3.29Å; L405-Y1217 WeakPolarHBondContact CD1-OH 3.41Å; P974-Y1217 HydrophobicContact CB-CE2 4.17Å; L975-Y1217 HydrophobicContact CB-CE2 3.86Å; L975-Y1217 HydrophobicContact CD1-CD1 4.12Å; L975-Y1217 HydrophobicContact CD1-CD2 3.64Å; L975-Y1217 HydrophobicContact CD1-CE1 4.21Å; L975-Y1217 HydrophobicContact CD1-CE2 3.74Å; L975-Y1217 HydrophobicContact CD1-CG 3.84Å; L975-Y1217 HydrophobicContact CG-CE2 4.42Å; C978-Y1217 HydrophobicContact CB-CD2 4.09Å; E1208-Y1217 HydrophobicContact CG-CG 4.5Å; E1208-Y1217 PolarHBondContact O-N 3.2Å; Y1217-F1220 HydrophobicContact CD2-CD1 4.43Å; Y1217-F1220 WeakPolarHBondContact O-CB 3.45Å; Y1217-F1220 PolarHBondContact O-N 2.79Å; Y1217-L1221 HydrophobicContact CD1-CD1 4.15Å; Y1217-L1221 HydrophobicContact CD2-CG 4.4Å; Y1217-L1221 HydrophobicContact CE1-CD1 3.6Å; Y1217-L1221 HydrophobicContact CE1-CG 4.2Å; Y1217-L1221 HydrophobicContact CE2-CD1 4.28Å; Y1217-L1221 HydrophobicContact CE2-CD2 4.02Å; Y1217-L1221 HydrophobicContact CE2-CG 3.98Å; Y1217-L1221 WeakPolarHBondContact O-CG 3.46Å; Y1217-L1221 PolarHBondContact O-N 3.21Å
1218	Q	94	Very high	92.8	Very high	77 Å²	77	52.9 Å²	52.9	36%	0.36	27%	0.271	S	S	.	.	H	α-helix	trans	-67.9	-39.7	177	-167.7	70.8	-0.8	0	0	112.6	L400 S1216 L1221 Q1222	L400-Q1218 PolarHBondContact O-NE2 2.85Å; S1216-Q1218 PolarHBondContact O-N 3.01Å; Q1218-L1221 PolarHBondContact O-N 3.05Å; Q1218-Q1222 WeakPolarHBondContact O-CG 3.19Å; Q1218-Q1222 PolarHBondContact O-N 3.44Å
1219	E	95.2	Very high	92.2	Very high	58 Å²	58	58.1 Å²	58.1	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-35.8	174.2	-71.5	164.5	127.5	0	0	111.3	K1210 P1215 S1216 Q1222 M1223	K1210-E1219 WeakPolarHBondContact CD-OE2 3.28Å; K1210-E1219 WeakPolarHBondContact CE-OE1 3.32Å; K1210-E1219 IonicContact NZ-OE1 2.76Å; K1210-E1219 PolarHBondContact NZ-OE1 3.06Å; K1210-E1219 IonicContact NZ-OE2 3.71Å; P1215-E1219 HydrophobicContact CB-CB 3.62Å; S1216-E1219 WeakPolarHBondContact CB-OE2 3.36Å; S1216-E1219 PolarHBondContact N-OE2 3.19Å; S1216-E1219 PolarHBondContact O-N 3.49Å; S1216-E1219 VanDerWaalsContact O-N 3.13Å; S1216-E1219 VanDerWaalsContact OG-CD 3.31Å; S1216-E1219 WeakPolarHBondContact OG-CG 3.16Å; S1216-E1219 PolarHBondContact OG-N 3.35Å; S1216-E1219 PolarHBondContact OG-OE2 3.3Å; E1219-Q1222 PolarHBondContact O-N 3.41Å; E1219-M1223 PolarHBondContact O-N 3.35Å
1220	F	95.9	Very high	91.5	Very high	5 Å²	5	64 Å²	64	2%	0.022	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-43.3	171.7	176.7	-101.4	0	0	0	111.8	P974 I977 C978 L981 S1216 Y1217 Q1222 M1223 I1224	P974-F1220 HydrophobicContact CB-CE1 4.28Å; P974-F1220 VanDerWaalsContact O-CE1 3.27Å; P974-F1220 WeakPolarHBondContact O-CE1 3.35Å; I977-F1220 HydrophobicContact CG2-CZ 4.21Å; C978-F1220 HydrophobicContact CB-CD1 3.81Å; C978-F1220 HydrophobicContact CB-CE1 4.02Å; C978-F1220 HydrophobicContact CB-CG 4.21Å; L981-F1220 HydrophobicContact CD1-CD2 4.49Å; L981-F1220 HydrophobicContact CD1-CE2 3.65Å; L981-F1220 HydrophobicContact CD1-CZ 4.21Å; S1216-F1220 WeakPolarHBondContact O-CB 3.45Å; S1216-F1220 PolarHBondContact O-N 2.9Å; Y1217-F1220 HydrophobicContact CD2-CD1 4.43Å; Y1217-F1220 WeakPolarHBondContact O-CB 3.45Å; Y1217-F1220 PolarHBondContact O-N 2.79Å; F1220-Q1222 VanDerWaalsContact C-N 3.3Å; F1220-Q1222 PolarHBondContact O-N 2.9Å; F1220-M1223 HydrophobicContact CD2-CE 3.67Å; F1220-M1223 HydrophobicContact CE2-CE 3.6Å; F1220-M1223 WeakPolarHBondContact O-CB 3.5Å; F1220-M1223 PolarHBondContact O-N 2.86Å; F1220-M1223 VanDerWaalsContact O-N 3.17Å; F1220-I1224 HydrophobicContact CD1-CG1 4.25Å; F1220-I1224 HydrophobicContact CE1-CD1 4.34Å; F1220-I1224 HydrophobicContact CE1-CG1 3.83Å; F1220-I1224 HydrophobicContact CE2-CD1 4.18Å; F1220-I1224 HydrophobicContact CE2-CG1 4.26Å; F1220-I1224 HydrophobicContact CZ-CD1 3.85Å; F1220-I1224 HydrophobicContact CZ-CG1 3.84Å; F1220-I1224 WeakPolarHBondContact O-CG1 3.41Å; F1220-I1224 PolarHBondContact O-N 3.25Å
1221	L	95.3	Very high	91.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-33.9	174.1	-71.8	178.9	0	0	0	112.8	L399 L400 L964 P974 Y1217 Q1218 I1224 Q1225	L399-L1221 HydrophobicContact CB-CD1 4Å; L399-L1221 HydrophobicContact CB-CD2 4.14Å; L399-L1221 HydrophobicContact CD1-CD2 4.07Å; L399-L1221 VanDerWaalsContact O-CD1 3.25Å; L399-L1221 WeakPolarHBondContact O-CD1 3.35Å; L400-L1221 HydrophobicContact CD2-CB 3.7Å; L964-L1221 HydrophobicContact CD2-CB 4.48Å; L964-L1221 HydrophobicContact CD2-CD2 4.11Å; P974-L1221 HydrophobicContact CB-CD2 3.88Å; P974-L1221 HydrophobicContact CG-CD2 4.46Å; Y1217-L1221 HydrophobicContact CD1-CD1 4.15Å; Y1217-L1221 HydrophobicContact CD2-CG 4.4Å; Y1217-L1221 HydrophobicContact CE1-CD1 3.6Å; Y1217-L1221 HydrophobicContact CE1-CG 4.2Å; Y1217-L1221 HydrophobicContact CE2-CD1 4.28Å; Y1217-L1221 HydrophobicContact CE2-CD2 4.02Å; Y1217-L1221 HydrophobicContact CE2-CG 3.98Å; Y1217-L1221 WeakPolarHBondContact O-CG 3.46Å; Y1217-L1221 PolarHBondContact O-N 3.21Å; Q1218-L1221 PolarHBondContact O-N 3.05Å; L1221-I1224 PolarHBondContact O-N 3.31Å; L1221-Q1225 WeakPolarHBondContact O-CB 3.27Å; L1221-Q1225 PolarHBondContact O-N 3.06Å
1222	Q	93.7	Very high	91.4	Very high	94 Å²	94	60.7 Å²	60.7	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-40.3	172.2	-70.5	169.7	12.4	0	0	111.8	L400 Q1218 E1219 F1220 Q1225 N1226	L400-Q1222 HydrophobicContact CD2-CG 4.11Å; Q1218-Q1222 WeakPolarHBondContact O-CG 3.19Å; Q1218-Q1222 PolarHBondContact O-N 3.44Å; E1219-Q1222 PolarHBondContact O-N 3.41Å; F1220-Q1222 VanDerWaalsContact C-N 3.3Å; F1220-Q1222 PolarHBondContact O-N 2.9Å; Q1222-Q1225 PolarHBondContact O-N 2.87Å; Q1222-N1226 PolarHBondContact O-N 3.36Å; Q1222-N1226 PolarHBondContact O-ND2 3.3Å
1223	M	94.1	Very high	91.7	Very high	76 Å²	76	52.3 Å²	52.3	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-46.1	172.5	-172.8	-166.3	78	0	0	111.4	A937 E1219 F1220 N1226 L1227	A937-M1223 HydrophobicContact CB-CE 3.92Å; E1219-M1223 PolarHBondContact O-N 3.35Å; F1220-M1223 HydrophobicContact CD2-CE 3.67Å; F1220-M1223 HydrophobicContact CE2-CE 3.6Å; F1220-M1223 WeakPolarHBondContact O-CB 3.5Å; F1220-M1223 PolarHBondContact O-N 2.86Å; F1220-M1223 VanDerWaalsContact O-N 3.17Å; M1223-N1226 PolarHBondContact O-N 3.18Å; M1223-L1227 HydrophobicContact CE-CD1 4.37Å; M1223-L1227 PolarHBondContact O-N 3.37Å
1224	I	95.2	Very high	92.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-41.6	174.7	-64.4	-58.9	0	0	0	111.4	A937 V940 A941 L944 L964 F1220 L1221 N1226 L1227 V1228	A937-I1224 HydrophobicContact CB-CD1 4.29Å; A937-I1224 WeakPolarHBondContact O-CD1 3.49Å; V940-I1224 HydrophobicContact CB-CD1 4.09Å; V940-I1224 HydrophobicContact CG1-CD1 4.29Å; V940-I1224 HydrophobicContact CG1-CG1 4.35Å; V940-I1224 HydrophobicContact CG1-CG2 4.1Å; A941-I1224 HydrophobicContact CB-CG2 4.48Å; L944-I1224 HydrophobicContact CD1-CG2 3.89Å; L964-I1224 HydrophobicContact CD2-CB 4.49Å; L964-I1224 HydrophobicContact CD2-CG2 4.13Å; F1220-I1224 HydrophobicContact CD1-CG1 4.25Å; F1220-I1224 HydrophobicContact CE1-CD1 4.34Å; F1220-I1224 HydrophobicContact CE1-CG1 3.83Å; F1220-I1224 HydrophobicContact CE2-CD1 4.18Å; F1220-I1224 HydrophobicContact CE2-CG1 4.26Å; F1220-I1224 HydrophobicContact CZ-CD1 3.85Å; F1220-I1224 HydrophobicContact CZ-CG1 3.84Å; F1220-I1224 WeakPolarHBondContact O-CG1 3.41Å; F1220-I1224 PolarHBondContact O-N 3.25Å; L1221-I1224 PolarHBondContact O-N 3.31Å; I1224-N1226 PolarHBondContact O-N 3.32Å; I1224-L1227 HydrophobicContact CD1-CD1 4.3Å; I1224-L1227 PolarHBondContact O-N 3.42Å; I1224-V1228 HydrophobicContact CG2-CG2 4.26Å; I1224-V1228 WeakPolarHBondContact O-CB 3.29Å; I1224-V1228 VanDerWaalsContact O-CG2 3.27Å; I1224-V1228 WeakPolarHBondContact O-CG2 3.33Å; I1224-V1228 PolarHBondContact O-N 3.26Å
1225	Q	92.1	Very high	92.2	Very high	21 Å²	21	54.8 Å²	54.8	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-36	175.7	-169.3	-170	56.8	0	0	111.9	L400 G963 L964 L1221 Q1222 V1228 R1229	L400-Q1225 HydrophobicContact CD1-CB 4.38Å; L400-Q1225 HydrophobicContact CD1-CG 4.3Å; G963-Q1225 PolarHBondContact O-NE2 3.34Å; L964-Q1225 HydrophobicContact CD1-CB 4.41Å; L964-Q1225 HydrophobicContact CD2-CB 4.47Å; L1221-Q1225 WeakPolarHBondContact O-CB 3.27Å; L1221-Q1225 PolarHBondContact O-N 3.06Å; Q1222-Q1225 PolarHBondContact O-N 2.87Å; Q1225-V1228 PolarHBondContact O-N 2.98Å; Q1225-R1229 WeakPolarHBondContact O-CG 3.41Å; Q1225-R1229 PolarHBondContact O-N 3.04Å; Q1225-R1229 VanDerWaalsContact OE1-CZ 3.32Å
1226	N	91	Very high	92.1	Very high	88 Å²	88	54.7 Å²	54.7	47%	0.471	28%	0.275	S	S	.	.	H	α-helix	trans	-71.5	-41.8	175.9	-68.2	-22.9	0	0	0	111.9	Q1222 M1223 I1224 V1228 R1229 T1230	Q1222-N1226 PolarHBondContact O-N 3.36Å; Q1222-N1226 PolarHBondContact O-ND2 3.3Å; M1223-N1226 PolarHBondContact O-N 3.18Å; I1224-N1226 PolarHBondContact O-N 3.32Å; N1226-V1228 PolarHBondContact O-N 3.41Å; N1226-R1229 WeakPolarHBondContact O-CB 3.42Å; N1226-R1229 PolarHBondContact O-N 3.11Å; N1226-R1229 PolarHBondContact OD1-NH1 3.18Å; N1226-T1230 PolarHBondContact O-N 3.34Å; N1226-T1230 PolarHBondContact O-OG1 3.32Å
1227	L	91.6	Very high	91.9	Very high	58 Å²	58	57 Å²	57	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-23.8	172.6	-68.7	172.1	0	0	0	113.5	A937 A941 M1223 I1224 T1230	A937-L1227 HydrophobicContact CB-CD1 4.23Å; A941-L1227 HydrophobicContact CB-CB 3.69Å; M1223-L1227 HydrophobicContact CE-CD1 4.37Å; M1223-L1227 PolarHBondContact O-N 3.37Å; I1224-L1227 HydrophobicContact CD1-CD1 4.3Å; I1224-L1227 PolarHBondContact O-N 3.42Å; L1227-T1230 PolarHBondContact O-OG1 2.76Å
1228	V	89	Confident	91.6	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.8	174.2	167.4	0	0	0	0	112.6	A941 L944 L955 L964 I1224 Q1225 N1226	A941-V1228 HydrophobicContact CB-CG2 3.91Å; A941-V1228 WeakPolarHBondContact O-CG2 3.38Å; L944-V1228 HydrophobicContact CB-CG2 4.29Å; L955-V1228 HydrophobicContact CD1-CG1 3.64Å; L955-V1228 HydrophobicContact CD2-CG1 4.17Å; L964-V1228 HydrophobicContact CD1-CG1 4.49Å; L964-V1228 HydrophobicContact CD1-CG2 4.33Å; I1224-V1228 HydrophobicContact CG2-CG2 4.26Å; I1224-V1228 WeakPolarHBondContact O-CB 3.29Å; I1224-V1228 VanDerWaalsContact O-CG2 3.27Å; I1224-V1228 WeakPolarHBondContact O-CG2 3.33Å; I1224-V1228 PolarHBondContact O-N 3.26Å; Q1225-V1228 PolarHBondContact O-N 2.98Å; N1226-V1228 PolarHBondContact O-N 3.41Å
1229	R	83.4	Confident	91.4	Very high	130 Å²	130	58.8 Å²	58.8	49%	0.491	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-19	176.7	-74.2	173.2	175.3	130.1	3.5	114	Q1225 N1226	Q1225-R1229 WeakPolarHBondContact O-CG 3.41Å; Q1225-R1229 PolarHBondContact O-N 3.04Å; Q1225-R1229 VanDerWaalsContact OE1-CZ 3.32Å; N1226-R1229 WeakPolarHBondContact O-CB 3.42Å; N1226-R1229 PolarHBondContact O-N 3.11Å; N1226-R1229 PolarHBondContact OD1-NH1 3.18Å
1230	T	80.3	Confident	91.1	Very high	165 Å²	165	58.9 Å²	58.9	100%	1.012	30%	0.298	S	S	*	.			trans	-94.6	0	-179.2	53	0	0	0	0	111.8	N1226 L1227	N1226-T1230 PolarHBondContact O-N 3.34Å; N1226-T1230 PolarHBondContact O-OG1 3.32Å; L1227-T1230 PolarHBondContact O-OG1 2.76Å

Retrieved 1,230 of 1,230 residues in 1267.8 ms (Link to these results)

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