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Endoplasmin

ATP-dependent chaperone involved in the processing of proteins in the endoplasmic reticulum, regulating their transport. Together with MESD, acts as a modulator of the Wnt pathway by promoting the folding of LRP6, a coreceptor of the canonical Wnt pathway (By similarity). When associated with CNPY3, required for proper folding of Toll-like receptors (By similarity). Promotes folding and trafficking of TLR4 to the cell surface. May participate in the unfolding of cytosolic leaderless cargos (lacking the secretion signal sequence) such as the interleukin 1/IL-1 to facilitate their translocation into the ERGIC (endoplasmic reticulum-Golgi intermediate compartment) and secretion; the translocation process is mediated by the cargo receptor TMED10 (By similarity).

AlphaFold DB , UniProt , Accession Q4R520, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene HSP90B1, Length 804 aa.

						>ENPL_MACFA|Q4R520|HSP90B1
MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDGLNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALSGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTEAQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAKEEKEESDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEEDEYKAFYKSFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITDDFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADDKYNDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPTDITSLDQYVERMKEKQDKIYFMAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDESEKTKESREAVEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMERIMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIRDMLRRIKEDEDDKTVLDLAVVLFETATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEDEPEEEPEETTEDTTEDTEQDEDEEMDVGTDEEEQETAKESTAEKDEL
					

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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	44.6	Very low	49.4	Very low	214 Å²	214	130.9 Å²	130.9	100%	1.054	69%	0.693	S	S	*	*				0	123.3	0	-73.5	-172.8	-90.9	0	0	109.5
2	R	46.6	Very low	49.5	Very low	241 Å²	241	127.9 Å²	127.9	91%	0.909	68%	0.684	S	S	*	*			cis	-107.8	-2.7	-48.3	-84.8	179.1	171.2	172	-2.7	111.8
3	A	50.9	Low	49.2	Very low	78 Å²	78	128.5 Å²	128.5	65%	0.645	69%	0.686	S	S	*	*	S	Bend	trans	-94.6	-27.2	-175.9	0	0	0	0	0	114.7	W5	A3-W5 VanDerWaalsContact C-N 3.34Å; A3-W5 PolarHBondContact O-N 3.43Å
4	L	49.7	Very low	48.8	Very low	152 Å²	152	129.9 Å²	129.9	80%	0.796	69%	0.692	S	S	*	*	H	α-helix	trans	-78.1	-12	-179.4	-94.9	118.5	0	0	0	115.2
5	W	50.7	Low	48.7	Very low	200 Å²	200	127.6 Å²	127.6	76%	0.758	69%	0.685	S	S	*	*	H	α-helix	trans	-84.1	-17.9	178.5	-92	52	0	0	0	113.3	A3 L9	A3-W5 VanDerWaalsContact C-N 3.34Å; A3-W5 PolarHBondContact O-N 3.43Å; W5-L9 PolarHBondContact O-N 3.18Å
6	V	52.8	Low	48.4	Very low	98 Å²	98	131.3 Å²	131.3	59%	0.594	69%	0.693	S	S	*	*	H	α-helix	trans	-84.8	-31.2	-177.4	-177.6	0	0	0	0	111.7	C10	V6-C10 PolarHBondContact O-N 2.88Å
7	L	49.8	Very low	47.8	Very low	142 Å²	142	126.9 Å²	126.9	74%	0.743	69%	0.687	S	S	*	*	H	α-helix	trans	-75.2	-27.7	171.7	-96.8	113.9	0	0	0	113.3
8	G	50.9	Low	47.3	Very low	45 Å²	45	126.3 Å²	126.3	46%	0.464	69%	0.694	S	S	.	*	H	α-helix	trans	-73.9	-28.6	176.1	0	0	0	0	0	113.9	V12	G8-V12 WeakPolarHBondContact O-CG2 3.46Å
9	L	50.1	Low	46.6	Very low	105 Å²	105	127.8 Å²	127.8	55%	0.55	71%	0.706	S	S	.	*	H	α-helix	trans	-84.4	-27.6	-179.7	-130.2	93.5	0	0	0	113.1	W5 C11 V12 L13	W5-L9 PolarHBondContact O-N 3.18Å; L9-C11 VanDerWaalsContact C-N 3.34Å; L9-V12 PolarHBondContact O-N 3.18Å; L9-L13 PolarHBondContact O-N 3.34Å
10	C	48.3	Very low	46.1	Very low	79 Å²	79	132.3 Å²	132.3	53%	0.534	71%	0.712	S	S	.	*	H	α-helix	trans	-71.7	-26.1	175	-73.1	0	0	0	0	113	V6	V6-C10 PolarHBondContact O-N 2.88Å
11	C	48.7	Very low	45.5	Very low	86 Å²	86	130.6 Å²	130.6	58%	0.581	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-13.3	175.1	-70.6	0	0	0	0	114.1	L9	L9-C11 VanDerWaalsContact C-N 3.34Å
12	V	50.7	Low	45.1	Very low	95 Å²	95	125.9 Å²	125.9	58%	0.576	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-13.9	-178.6	177.5	0	0	0	0	112.5	G8 L9 T15	G8-V12 WeakPolarHBondContact O-CG2 3.46Å; L9-V12 PolarHBondContact O-N 3.18Å; V12-T15 PolarHBondContact O-OG1 2.85Å
13	L	45.3	Very low	44.5	Very low	136 Å²	136	122.3 Å²	122.3	71%	0.712	69%	0.694	S	S	*	*	S	Bend	trans	-93.1	-8	170.3	-79.8	160.2	0	0	0	113.7	L9	L9-L13 PolarHBondContact O-N 3.34Å
14	L	43.8	Very low	43.9	Very low	148 Å²	148	126.9 Å²	126.9	78%	0.775	70%	0.702	S	S	*	*	S	Bend	trans	-88.5	0.4	171.7	-78.4	166.5	0	0	0	113.8
15	T	48.3	Very low	43.3	Very low	95 Å²	95	125.5 Å²	125.5	58%	0.583	70%	0.7	S	S	*	*	S	Bend	trans	-108.4	4.3	-179	50.5	0	0	0	0	114.5	V12	V12-T15 PolarHBondContact O-OG1 2.85Å
16	F	43.6	Very low	42.7	Very low	187 Å²	187	123.6 Å²	123.6	82%	0.82	71%	0.705	S	S	*	*	S	Bend	trans	-130.9	75	173	-77.3	-85.3	0	0	0	110.6
17	G	38.4	Very low	42.1	Very low	56 Å²	56	124.6 Å²	124.6	58%	0.577	71%	0.71	S	S	*	*	S	Bend	trans	-177.6	130.3	170.6	0	0	0	0	0	109.7
18	S	37.7	Very low	41.6	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	72%	0.718	S	S	*	*			trans	70.1	83.6	166.4	20.7	0	0	0	0	117.2
19	V	34.8	Very low	41.1	Very low	154 Å²	154	126.4 Å²	126.4	93%	0.933	72%	0.724	S	S	*	*			trans	-128.3	74.5	130.7	-176	0	0	0	0	106.9
20	R	36.8	Very low	40.6	Very low	218 Å²	218	127.8 Å²	127.8	82%	0.823	74%	0.737	S	S	*	*			trans	-90.1	125.9	146.2	-98.7	-176.3	172.8	140.6	-3.5	104.5	D22	R20-D22 VanDerWaalsContact C-N 3.3Å; R20-D22 PolarHBondContact O-N 3.22Å
21	A	33.2	Very low	39.9	Very low	96 Å²	96	130.3 Å²	130.3	79%	0.793	75%	0.749	S	S	*	*			trans	-84	88.3	162.9	0	0	0	0	0	106
22	D	35.9	Very low	39.5	Very low	116 Å²	116	134.9 Å²	134.9	62%	0.62	76%	0.762	S	S	*	*			trans	-102.6	107.4	155.5	-77.5	-41.2	0	0	0	104.7	R20 E24	R20-D22 VanDerWaalsContact C-N 3.3Å; R20-D22 PolarHBondContact O-N 3.22Å; D22-E24 PolarHBondContact O-N 2.98Å
23	D	35.1	Very low	39.1	Very low	166 Å²	166	138.9 Å²	138.9	89%	0.888	77%	0.774	S	S	*	*			trans	-82.9	76.2	161	-81.6	-33.5	0	0	0	106.6
24	E	37	Very low	38.9	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	78%	0.775	S	S	*	*			trans	-92.9	107.1	159.5	-90.9	-175.9	161.9	0	0	107.6	D22 D26	D22-E24 PolarHBondContact O-N 2.98Å; E24-D26 PolarHBondContact O-N 2.88Å
25	V	38	Very low	38.6	Very low	123 Å²	123	139.3 Å²	139.3	75%	0.745	78%	0.778	S	S	*	*			trans	-83.8	99.7	166.1	-176.7	0	0	0	0	106.9	V27	V25-V27 HydrophobicContact CG1-CG2 3.68Å; V25-V27 PolarHBondContact O-N 3.09Å; V25-V27 VanDerWaalsContact O-N 3.16Å
26	D	37	Very low	38.3	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	79%	0.785	S	S	*	*			trans	-69.1	100.6	162.4	-108.9	-26.1	0	0	0	108.2	E24	E24-D26 PolarHBondContact O-N 2.88Å
27	V	41.3	Very low	38.2	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.715	79%	0.787	S	S	*	*			trans	-100.9	98.5	158.3	-176.1	0	0	0	0	107	V25 G29	V25-V27 HydrophobicContact CG1-CG2 3.68Å; V25-V27 PolarHBondContact O-N 3.09Å; V25-V27 VanDerWaalsContact O-N 3.16Å; V27-G29 PolarHBondContact O-N 3.49Å
28	D	39.2	Very low	38.4	Very low	169 Å²	169	139.9 Å²	139.9	90%	0.904	79%	0.786	S	S	*	*			trans	-66.2	100.6	168.7	-150.2	3.1	0	0	0	107.9
29	G	40.2	Very low	38.6	Very low	56 Å²	56	146.7 Å²	146.7	58%	0.577	79%	0.794	S	S	*	*			trans	-144.5	102.2	-179.1	0	0	0	0	0	108.6	V27 V31	V27-G29 PolarHBondContact O-N 3.49Å; G29-V31 PolarHBondContact O-N 3.35Å
30	T	38.9	Very low	39	Very low	135 Å²	135	147.5 Å²	147.5	83%	0.828	79%	0.787	S	S	*	*			trans	-39.6	127.5	178.8	39.2	0	0	0	0	113.9	E32	T30-E32 PolarHBondContact O-N 3.44Å; T30-E32 VanDerWaalsContact O-N 3.15Å
31	V	34.7	Very low	39.1	Very low	132 Å²	132	140.9 Å²	140.9	80%	0.8	79%	0.787	S	S	*	*			trans	-61.1	106.8	168.3	-179.4	0	0	0	0	109.1	G29 E33	G29-V31 PolarHBondContact O-N 3.35Å; V31-E33 HydrophobicContact CG1-CG 4.17Å
32	E	40.3	Very low	39.7	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	79%	0.788	S	S	*	*			trans	-92.5	107.8	154.5	-85.3	-171.2	160.8	0	0	108.1	T30	T30-E32 PolarHBondContact O-N 3.44Å; T30-E32 VanDerWaalsContact O-N 3.15Å
33	E	41.8	Very low	40.1	Very low	179 Å²	179	146.9 Å²	146.9	84%	0.836	80%	0.798	S	S	*	*			trans	-64.1	141.8	161.5	-70.1	178.8	145	0	0	109.3	V31	V31-E33 HydrophobicContact CG1-CG 4.17Å
34	D	40.6	Very low	40.6	Very low	135 Å²	135	143.8 Å²	143.8	72%	0.722	79%	0.786	S	S	*	*			trans	93.2	69	162.7	-146.1	14	0	0	0	118.4
35	L	38.8	Very low	41.6	Very low	159 Å²	159	141.7 Å²	141.7	83%	0.832	78%	0.78	S	S	*	*			trans	-128.3	45.5	155.3	-74.5	170.6	0	0	0	111.3
36	G	41.9	Very low	42.5	Very low	72 Å²	72	142 Å²	142	74%	0.742	78%	0.778	S	S	*	*	S	Bend	trans	-95.6	3.8	170.1	0	0	0	0	0	114.4
37	K	41.1	Very low	43.4	Very low	198 Å²	198	140.5 Å²	140.5	86%	0.861	77%	0.765	S	S	*	*			trans	-149.7	68.7	-177	-71.9	-177	-179	165.2	0	113.2
38	S	41.9	Very low	44.3	Very low	79 Å²	79	138.3 Å²	138.3	55%	0.552	75%	0.752	S	S	*	*			trans	-142.9	108.2	161.3	57.8	0	0	0	0	111.7	E40	S38-E40 PolarHBondContact O-N 3.07Å
39	R	43.2	Very low	45.4	Very low	260 Å²	260	134.1 Å²	134.1	98%	0.981	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	47.7	177	-93.6	175	61.9	156	-0.3	113
40	E	41.9	Very low	46.4	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	7.4	-177.2	-79.4	-173.1	154.6	0	0	116.4	S38 S42	S38-E40 PolarHBondContact O-N 3.07Å; E40-S42 PolarHBondContact O-N 2.98Å
41	G	40	Very low	47.5	Very low	79 Å²	79	139.6 Å²	139.6	81%	0.814	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	25.6	178.6	0	0	0	0	0	117.2
42	S	45.3	Very low	48.8	Very low	116 Å²	116	139.4 Å²	139.4	81%	0.811	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	16.1	-175.4	-175.7	0	0	0	0	113.9	E40	E40-S42 PolarHBondContact O-N 2.98Å
43	R	43.3	Very low	49.6	Very low	222 Å²	222	134.2 Å²	134.2	84%	0.838	69%	0.692	S	S	*	*	S	Bend	trans	-126.7	16.8	-175.6	-69.1	-175.1	89.1	148.9	4	115.8
44	T	47	Very low	50.5	Low	102 Å²	102	132.7 Å²	132.7	63%	0.626	68%	0.684	S	S	*	*	S	Bend	trans	-103.8	-2.4	-176.7	50.8	0	0	0	0	116	V48	T44-V48 WeakPolarHBondContact O-CG2 3.38Å
45	D	56.5	Low	51.6	Low	129 Å²	129	130.1 Å²	130.1	69%	0.69	68%	0.682	S	S	*	*	H	α-helix	trans	-81.9	-29.5	176.8	-99.1	-10.6	0	0	0	113.9	E47 V48 V49	D45-E47 VanDerWaalsContact C-N 3.28Å; D45-E47 PolarHBondContact O-N 3.42Å; D45-V48 PolarHBondContact O-N 2.98Å; D45-V49 PolarHBondContact O-N 3.42Å
46	D	57.5	Low	52.6	Low	131 Å²	131	126.5 Å²	126.5	70%	0.701	66%	0.663	S	S	*	*	H	α-helix	trans	-68.1	-28.1	-178.4	-72.5	-19.8	0	0	0	112.6
47	E	57	Low	53.3	Low	128 Å²	128	131.5 Å²	131.5	60%	0.598	67%	0.667	S	S	*	*	H	α-helix	trans	-85.8	-25	177.4	-69.6	-170	173.3	0	0	113.3	D45 Q50 R51	D45-E47 VanDerWaalsContact C-N 3.28Å; D45-E47 PolarHBondContact O-N 3.42Å; E47-Q50 PolarHBondContact O-N 3.45Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 PolarHBondContact O-N 3.36Å
48	V	59.3	Low	54.1	Low	72 Å²	72	126.9 Å²	126.9	44%	0.436	65%	0.651	S	S	.	*	H	α-helix	trans	-68.1	-44.1	175.5	173.7	0	0	0	0	109.9	T44 D45 Q50 R51 E52	T44-V48 WeakPolarHBondContact O-CG2 3.38Å; D45-V48 PolarHBondContact O-N 2.98Å; V48-Q50 PolarHBondContact O-N 2.93Å; V48-R51 PolarHBondContact O-N 3.22Å; V48-E52 WeakPolarHBondContact O-CG 3.4Å; V48-E52 PolarHBondContact O-N 2.83Å
49	V	62.3	Low	55.2	Low	80 Å²	80	131.3 Å²	131.3	49%	0.485	67%	0.668	S	S	.	*	H	α-helix	trans	-58.3	-49.5	174.2	178.3	0	0	0	0	109.9	D45 R51 E52 E53	D45-V49 PolarHBondContact O-N 3.42Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.12Å; V49-E52 PolarHBondContact O-N 3.36Å; V49-E53 HydrophobicContact CG1-CG 4.13Å; V49-E53 WeakPolarHBondContact O-CG 3.45Å; V49-E53 PolarHBondContact O-N 3.11Å
50	Q	61	Low	56.4	Low	120 Å²	120	122.4 Å²	122.4	56%	0.561	66%	0.657	S	S	*	*	H	α-helix	trans	-59.1	-41.3	177.9	-74	-178.3	6.6	0	0	112.9	E47 V48 E53 E54	E47-Q50 PolarHBondContact O-N 3.45Å; V48-Q50 PolarHBondContact O-N 2.93Å; Q50-E53 PolarHBondContact O-N 3.05Å; Q50-E54 WeakPolarHBondContact O-CG 3.39Å; Q50-E54 PolarHBondContact O-N 3.22Å
51	R	61.5	Low	57.6	Low	187 Å²	187	117.3 Å²	117.3	71%	0.706	64%	0.635	S	S	*	*	H	α-helix	trans	-65.7	-39.1	175.5	-86	-177	173.5	175.5	1.9	113.1	E47 V48 V49 E54 A55	E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 PolarHBondContact O-N 3.36Å; V48-R51 PolarHBondContact O-N 3.22Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.12Å; R51-E54 PolarHBondContact O-N 3.42Å; R51-A55 WeakPolarHBondContact O-CB 3.28Å; R51-A55 PolarHBondContact O-N 3.02Å
52	E	62	Low	59.2	Low	128 Å²	128	117.4 Å²	117.4	60%	0.598	62%	0.617	S	S	*	*	H	α-helix	trans	-69.6	-33.2	174.2	-73	-172.5	162	0	0	112	V48 V49 I56	V48-E52 WeakPolarHBondContact O-CG 3.4Å; V48-E52 PolarHBondContact O-N 2.83Å; V49-E52 PolarHBondContact O-N 3.36Å; E52-I56 WeakPolarHBondContact O-CD1 3.46Å; E52-I56 WeakPolarHBondContact O-CG1 3.38Å
53	E	58.6	Low	60.4	Low	72 Å²	72	115.6 Å²	115.6	34%	0.336	61%	0.609	S	S	.	*	H	α-helix	trans	-65.6	-40.1	173.1	-50.3	-141.8	117.2	0	0	111.9	V49 Q50 R70	V49-E53 HydrophobicContact CG1-CG 4.13Å; V49-E53 WeakPolarHBondContact O-CG 3.45Å; V49-E53 PolarHBondContact O-N 3.11Å; Q50-E53 PolarHBondContact O-N 3.05Å; E53-R70 VanDerWaalsContact CD-NH1 3.27Å; E53-R70 WeakPolarHBondContact OE1-CD 3.47Å; E53-R70 IonicContact OE1-CZ 2.79Å; E53-R70 IonicContact OE1-NE 2.67Å; E53-R70 IonicContact OE1-NH1 3.95Å; E53-R70 PolarHBondContact OE1-NH1 2.98Å
54	E	60.1	Low	61.7	Low	146 Å²	146	108.8 Å²	108.8	68%	0.682	60%	0.595	S	S	*	*	H	α-helix	trans	-76	-27.1	179.1	-72.7	-175.5	166.8	0	0	113.7	Q50 R51 I56	Q50-E54 WeakPolarHBondContact O-CG 3.39Å; Q50-E54 PolarHBondContact O-N 3.22Å; R51-E54 PolarHBondContact O-N 3.42Å; E54-I56 VanDerWaalsContact C-N 3.32Å; E54-I56 PolarHBondContact O-N 3.42Å
55	A	63.6	Low	63.1	Low	81 Å²	81	107.7 Å²	107.7	67%	0.669	58%	0.584	S	S	*	*	H	α-helix	trans	-75.1	-19.1	179.6	0	0	0	0	0	113.6	R51 Q57	R51-A55 WeakPolarHBondContact O-CB 3.28Å; R51-A55 PolarHBondContact O-N 3.02Å; A55-Q57 PolarHBondContact O-N 3.43Å; A55-Q57 VanDerWaalsContact O-N 3.13Å
56	I	58.6	Low	63.8	Low	84 Å²	84	102.3 Å²	102.3	43%	0.431	56%	0.555	S	S	.	*			trans	-88.3	80	179.5	-61.7	165	0	0	0	108.5	E52 E54 L58 I66	E52-I56 WeakPolarHBondContact O-CD1 3.46Å; E52-I56 WeakPolarHBondContact O-CG1 3.38Å; E54-I56 VanDerWaalsContact C-N 3.32Å; E54-I56 PolarHBondContact O-N 3.42Å; I56-L58 HydrophobicContact CG2-CD1 4.41Å; I56-L58 PolarHBondContact O-N 3.44Å; I56-L58 VanDerWaalsContact O-N 3.16Å; I56-I66 WeakPolarHBondContact O-CD1 3.32Å
57	Q	57.1	Low	64.6	Low	177 Å²	177	103.5 Å²	103.5	83%	0.827	55%	0.549	S	S	*	.			trans	-80.1	90.5	166.2	-68.1	-170.5	10.5	0	0	109.2	A55 D59	A55-Q57 PolarHBondContact O-N 3.43Å; A55-Q57 VanDerWaalsContact O-N 3.13Å; Q57-D59 PolarHBondContact O-N 3.36Å
58	L	59.2	Low	65.7	Low	101 Å²	101	102 Å²	102	53%	0.529	54%	0.542	S	S	.	.			trans	-66.7	119.1	165.5	-115.2	143.9	0	0	0	108	I56 G60 L61 I66	I56-L58 HydrophobicContact CG2-CD1 4.41Å; I56-L58 PolarHBondContact O-N 3.44Å; I56-L58 VanDerWaalsContact O-N 3.16Å; L58-G60 PolarHBondContact O-N 3.03Å; L58-G60 VanDerWaalsContact O-N 3.13Å; L58-L61 HydrophobicContact CB-CD1 4.31Å; L58-L61 PolarHBondContact O-N 3.26Å; L58-L61 VanDerWaalsContact O-N 3.08Å; L58-I66 HydrophobicContact CB-CD1 4.3Å
59	D	63.9	Low	66.6	Low	171 Å²	171	103.3 Å²	103.3	91%	0.914	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	117.2	-173.9	-165.2	12.1	0	0	0	111.3	Q57	Q57-D59 PolarHBondContact O-N 3.36Å
60	G	68.1	Low	67.3	Low	73 Å²	73	103.2 Å²	103.2	75%	0.753	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-2.6	178.7	0	0	0	0	0	117.8	L58	L58-G60 PolarHBondContact O-N 3.03Å; L58-G60 VanDerWaalsContact O-N 3.13Å
61	L	67.8	Low	68.2	Low	64 Å²	64	104 Å²	104	34%	0.335	54%	0.541	S	S	.	.			trans	-111.8	128.3	176.7	-69.8	159.3	0	0	0	111.2	L58 Q65 I66	L58-L61 HydrophobicContact CB-CD1 4.31Å; L58-L61 PolarHBondContact O-N 3.26Å; L58-L61 VanDerWaalsContact O-N 3.08Å; L61-Q65 HydrophobicContact CB-CB 4.27Å; L61-Q65 HydrophobicContact CD2-CB 3.71Å; L61-Q65 HydrophobicContact CD2-CG 4.32Å; L61-I66 HydrophobicContact CB-CD1 4.42Å; L61-I66 HydrophobicContact CB-CG1 3.85Å
62	N	73.6	Confident	69.4	Low	82 Å²	82	102 Å²	102	44%	0.439	54%	0.537	S	S	.	.			trans	-75.6	161.6	173.3	67.5	29.5	0	0	0	111.2	S64 Q65 I66	N62-S64 VanDerWaalsContact CG-OG 3.3Å; N62-S64 PolarHBondContact O-N 2.78Å; N62-S64 VanDerWaalsContact O-N 3.12Å; N62-S64 PolarHBondContact OD1-N 3.01Å; N62-S64 PolarHBondContact OD1-OG 3.29Å; N62-Q65 WeakPolarHBondContact O-CA 3.32Å; N62-Q65 WeakPolarHBondContact O-CB 3.39Å; N62-Q65 PolarHBondContact O-N 2.97Å; N62-Q65 WeakPolarHBondContact OD1-CB 3.5Å; N62-Q65 WeakPolarHBondContact OD1-CG 3.32Å; N62-Q65 PolarHBondContact OD1-N 3.42Å; N62-Q65 PolarHBondContact OD1-OE1 3.33Å; N62-I66 PolarHBondContact O-N 3.08Å
63	A	69.3	Low	70.3	Confident	78 Å²	78	98.7 Å²	98.7	65%	0.645	53%	0.528	S	S	*	.	H	α-helix	trans	-54.9	-35	-177	0	0	0	0	0	113.4	I66 R67	A63-I66 PolarHBondContact O-N 2.84Å; A63-R67 WeakPolarHBondContact O-CB 3.45Å; A63-R67 PolarHBondContact O-N 3.4Å
64	S	72.5	Confident	71.7	Confident	78 Å²	78	102.7 Å²	102.7	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-38.6	174.1	46.1	0	0	0	0	113.1	N62 E68	N62-S64 VanDerWaalsContact CG-OG 3.3Å; N62-S64 PolarHBondContact O-N 2.78Å; N62-S64 VanDerWaalsContact O-N 3.12Å; N62-S64 PolarHBondContact OD1-N 3.01Å; N62-S64 PolarHBondContact OD1-OG 3.29Å; S64-E68 WeakPolarHBondContact O-CB 3.31Å; S64-E68 PolarHBondContact O-N 3.11Å
65	Q	74.5	Confident	72.9	Confident	80 Å²	80	105.2 Å²	105.2	37%	0.374	56%	0.556	S	S	.	*	H	α-helix	trans	-70.6	-38.4	176.5	-73.5	167.3	-38.2	0	0	111.2	L61 N62 R67 E68 L69	L61-Q65 HydrophobicContact CB-CB 4.27Å; L61-Q65 HydrophobicContact CD2-CB 3.71Å; L61-Q65 HydrophobicContact CD2-CG 4.32Å; N62-Q65 WeakPolarHBondContact O-CA 3.32Å; N62-Q65 WeakPolarHBondContact O-CB 3.39Å; N62-Q65 PolarHBondContact O-N 2.97Å; N62-Q65 WeakPolarHBondContact OD1-CB 3.5Å; N62-Q65 WeakPolarHBondContact OD1-CG 3.32Å; N62-Q65 PolarHBondContact OD1-N 3.42Å; N62-Q65 PolarHBondContact OD1-OE1 3.33Å; Q65-R67 VanDerWaalsContact C-N 3.35Å; Q65-E68 PolarHBondContact O-N 3.47Å; Q65-L69 WeakPolarHBondContact O-CB 3.49Å; Q65-L69 PolarHBondContact O-N 3.26Å
66	I	73.1	Confident	74.1	Confident	16 Å²	16	109.3 Å²	109.3	8%	0.082	56%	0.559	C	S	.	*	H	α-helix	trans	-63.9	-43.4	175.2	-62.8	-178.9	0	0	0	110.3	I56 L58 L61 N62 A63 L69 R70	I56-I66 WeakPolarHBondContact O-CD1 3.32Å; L58-I66 HydrophobicContact CB-CD1 4.3Å; L61-I66 HydrophobicContact CB-CD1 4.42Å; L61-I66 HydrophobicContact CB-CG1 3.85Å; N62-I66 PolarHBondContact O-N 3.08Å; A63-I66 PolarHBondContact O-N 2.84Å; I66-L69 PolarHBondContact O-N 3.03Å; I66-R70 WeakPolarHBondContact O-CG 3.48Å; I66-R70 PolarHBondContact O-N 3.18Å
67	R	73.9	Confident	75.6	Confident	155 Å²	155	109.5 Å²	109.5	59%	0.585	57%	0.573	S	S	*	*	H	α-helix	trans	-63.5	-46.7	175.6	-174.9	176.8	175	159.4	5	112.1	A63 Q65 L69 R70 E71	A63-R67 WeakPolarHBondContact O-CB 3.45Å; A63-R67 PolarHBondContact O-N 3.4Å; Q65-R67 VanDerWaalsContact C-N 3.35Å; R67-L69 VanDerWaalsContact C-N 3.25Å; R67-L69 PolarHBondContact O-N 2.93Å; R67-R70 PolarHBondContact O-N 3.35Å; R67-E71 HydrophobicContact CG-CG 4.43Å; R67-E71 IonicContact CZ-OE1 3.83Å; R67-E71 IonicContact NE-OE1 2.89Å; R67-E71 PolarHBondContact NE-OE1 3.04Å; R67-E71 IonicContact NH2-OE1 3.51Å; R67-E71 WeakPolarHBondContact O-CB 3.41Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.5Å
68	E	79.7	Confident	77.2	Confident	96 Å²	96	111.6 Å²	111.6	45%	0.449	58%	0.579	S	S	.	*	H	α-helix	trans	-61.5	-36.5	176.1	-170.6	178.1	-175.2	0	0	111.5	S64 Q65 K72	S64-E68 WeakPolarHBondContact O-CB 3.31Å; S64-E68 PolarHBondContact O-N 3.11Å; Q65-E68 PolarHBondContact O-N 3.47Å; E68-K72 HydrophobicContact CG-CD 4.14Å; E68-K72 VanDerWaalsContact O-CB 3.28Å; E68-K72 WeakPolarHBondContact O-CB 3.47Å; E68-K72 VanDerWaalsContact O-CG 3.25Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.22Å; E68-K72 WeakPolarHBondContact OE1-CE 3.36Å; E68-K72 IonicContact OE1-NZ 2.86Å; E68-K72 PolarHBondContact OE1-NZ 2.95Å
69	L	78.7	Confident	78.5	Confident	101 Å²	101	115.9 Å²	115.9	53%	0.529	60%	0.597	S	S	.	*	H	α-helix	trans	-69.7	-39.5	177	-160.3	130.2	0	0	0	111.8	Q65 I66 R67 S73	Q65-L69 WeakPolarHBondContact O-CB 3.49Å; Q65-L69 PolarHBondContact O-N 3.26Å; I66-L69 PolarHBondContact O-N 3.03Å; R67-L69 VanDerWaalsContact C-N 3.25Å; R67-L69 PolarHBondContact O-N 2.93Å; L69-S73 VanDerWaalsContact O-CB 3.27Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.47Å
70	R	76.1	Confident	79.6	Confident	77 Å²	77	110.7 Å²	110.7	29%	0.291	58%	0.578	S	S	.	*	H	α-helix	trans	-68.5	-42.9	173.2	-72.9	-177.2	-173.5	-158.2	3.3	112.2	E53 I66 R67 K72 S73	E53-R70 VanDerWaalsContact CD-NH1 3.27Å; E53-R70 WeakPolarHBondContact OE1-CD 3.47Å; E53-R70 IonicContact OE1-CZ 2.79Å; E53-R70 IonicContact OE1-NE 2.67Å; E53-R70 IonicContact OE1-NH1 3.95Å; E53-R70 PolarHBondContact OE1-NH1 2.98Å; I66-R70 WeakPolarHBondContact O-CG 3.48Å; I66-R70 PolarHBondContact O-N 3.18Å; R67-R70 PolarHBondContact O-N 3.35Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å; R70-S73 WeakPolarHBondContact CA-OG 3.42Å; R70-S73 PolarHBondContact O-N 3.14Å; R70-S73 VanDerWaalsContact O-N 3.12Å; R70-S73 PolarHBondContact O-OG 2.95Å
71	E	81.1	Confident	80.6	Confident	136 Å²	136	112.3 Å²	112.3	64%	0.636	57%	0.566	S	S	*	*	H	α-helix	trans	-65.7	-32.3	177.1	-75.2	178.7	-172	0	0	112	R67	R67-E71 HydrophobicContact CG-CG 4.43Å; R67-E71 IonicContact CZ-OE1 3.83Å; R67-E71 IonicContact NE-OE1 2.89Å; R67-E71 PolarHBondContact NE-OE1 3.04Å; R67-E71 IonicContact NH2-OE1 3.51Å; R67-E71 WeakPolarHBondContact O-CB 3.41Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.5Å
72	K	85.2	Confident	81.5	Confident	147 Å²	147	113.3 Å²	113.3	64%	0.639	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-5.5	173.2	-68.2	178.6	-173.1	173.8	0	114	E68 R70	E68-K72 HydrophobicContact CG-CD 4.14Å; E68-K72 VanDerWaalsContact O-CB 3.28Å; E68-K72 WeakPolarHBondContact O-CB 3.47Å; E68-K72 VanDerWaalsContact O-CG 3.25Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.22Å; E68-K72 WeakPolarHBondContact OE1-CE 3.36Å; E68-K72 IonicContact OE1-NZ 2.86Å; E68-K72 PolarHBondContact OE1-NZ 2.95Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å
73	S	82.2	Confident	82.1	Confident	57 Å²	57	113.6 Å²	113.6	40%	0.399	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-78.7	129.3	-179.4	67.5	0	0	0	0	110.9	L69 R70	L69-S73 VanDerWaalsContact O-CB 3.27Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.47Å; R70-S73 WeakPolarHBondContact CA-OG 3.42Å; R70-S73 PolarHBondContact O-N 3.14Å; R70-S73 VanDerWaalsContact O-N 3.12Å; R70-S73 PolarHBondContact O-OG 2.95Å
74	E	87.4	Confident	83	Confident	157 Å²	157	117.5 Å²	117.5	73%	0.734	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-83.6	122.6	172.7	-68.2	-178.5	175.3	0	0	109.3	F76	E74-F76 HydrophobicContact CB-CD2 4.37Å; E74-F76 HydrophobicContact CB-CE2 3.55Å; E74-F76 HydrophobicContact CB-CZ 3.82Å; E74-F76 WeakPolarHBondContact O-CD2 3.44Å; E74-F76 VanDerWaalsContact OE2-CZ 3.25Å; E74-F76 WeakPolarHBondContact OE2-CZ 3.3Å
75	K	86.2	Confident	83.8	Confident	199 Å²	199	117.3 Å²	117.3	87%	0.865	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-87.6	123.6	174.5	-65.6	-176.6	-179	-178.7	0	109.1
76	F	88.9	Confident	84.5	Confident	167 Å²	167	114.3 Å²	114.3	73%	0.732	55%	0.551	S	S	*	*			trans	-110.2	142.3	173.6	-61.8	-86	0	0	0	110	E74	E74-F76 HydrophobicContact CB-CD2 4.37Å; E74-F76 HydrophobicContact CB-CE2 3.55Å; E74-F76 HydrophobicContact CB-CZ 3.82Å; E74-F76 WeakPolarHBondContact O-CD2 3.44Å; E74-F76 VanDerWaalsContact OE2-CZ 3.25Å; E74-F76 WeakPolarHBondContact OE2-CZ 3.3Å
77	A	89.7	Confident	85.2	Confident	88 Å²	88	119.7 Å²	119.7	73%	0.727	57%	0.574	S	S	*	*			trans	-82.7	145.1	167.5	0	0	0	0	0	109.6	Q79	A77-Q79 PolarHBondContact O-N 2.87Å
78	F	89.6	Confident	86	Confident	220 Å²	220	117.3 Å²	117.3	97%	0.965	57%	0.572	S	S	*	*			trans	-59.4	133.3	172	-72.8	-84.4	0	0	0	110.2
79	Q	86.2	Confident	86.3	Confident	192 Å²	192	113.3 Å²	113.3	90%	0.897	55%	0.554	S	S	*	*			trans	-111.2	151.8	173.7	-66.5	-175.6	-14.6	0	0	109.6	A77	A77-Q79 PolarHBondContact O-N 2.87Å
80	A	87.3	Confident	86.8	Confident	62 Å²	62	109.2 Å²	109.2	51%	0.512	53%	0.532	S	S	.	.			trans	-128.6	132.8	178.2	0	0	0	0	0	110.6	V82 M85	A80-V82 PolarHBondContact O-N 3.45Å; A80-M85 HydrophobicContact CB-CE 3.62Å
81	E	89.1	Confident	87.2	Confident	107 Å²	107	111.1 Å²	111.1	50%	0.5	55%	0.548	S	S	.	.			trans	-81.3	95.4	172.2	-170.9	179.5	161.4	0	0	109.4	N83 R84 M85	E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 2.99Å; E81-R84 HydrophobicContact CB-CB 4.41Å; E81-R84 HydrophobicContact CG-CB 4.34Å; E81-R84 HydrophobicContact CG-CG 4.08Å; E81-R84 PolarHBondContact O-N 3.38Å; E81-R84 WeakPolarHBondContact OE1-CD 3.44Å; E81-R84 WeakPolarHBondContact OE1-CG 3.31Å; E81-R84 IonicContact OE1-CZ 2.97Å; E81-R84 IonicContact OE1-NE 3.76Å; E81-R84 PolarHBondContact OE1-NE 2.82Å; E81-R84 IonicContact OE1-NH2 3.98Å; E81-R84 WeakPolarHBondContact OE2-CD 3.36Å; E81-R84 IonicContact OE2-CZ 2.88Å; E81-R84 VanDerWaalsContact OE2-CZ 3.26Å; E81-R84 IonicContact OE2-NE 3.98Å; E81-R84 PolarHBondContact OE2-NE 3.38Å; E81-R84 IonicContact OE2-NH1 3.44Å; E81-R84 IonicContact OE2-NH2 2.84Å; E81-M85 PolarHBondContact O-N 3.06Å
82	V	87.9	Confident	87.5	Confident	84 Å²	84	108.9 Å²	108.9	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-52.6	-44.1	-172.8	-179.4	0	0	0	0	112.1	A80 R84 M85 M86 I166	A80-V82 PolarHBondContact O-N 3.45Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.21Å; V82-M85 PolarHBondContact O-N 3.05Å; V82-M86 WeakPolarHBondContact O-CB 3.38Å; V82-M86 PolarHBondContact O-N 2.98Å; V82-I166 HydrophobicContact CG1-CD1 3.89Å
83	N	85.7	Confident	87.6	Confident	88 Å²	88	104.5 Å²	104.5	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-62	-37.3	-179.1	-67.7	-13.3	0	0	0	113	E81 K87	E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 2.99Å; N83-K87 WeakPolarHBondContact O-CG 3.49Å; N83-K87 PolarHBondContact O-N 2.63Å
84	R	88.9	Confident	87.8	Confident	161 Å²	161	102.6 Å²	102.6	61%	0.608	52%	0.515	S	S	*	.	H	α-helix	trans	-74.9	-39.1	175.4	-71.5	-172.8	-166.5	-169.8	4.3	111.6	E81 V82 K87 L88	E81-R84 HydrophobicContact CB-CB 4.41Å; E81-R84 HydrophobicContact CG-CB 4.34Å; E81-R84 HydrophobicContact CG-CG 4.08Å; E81-R84 PolarHBondContact O-N 3.38Å; E81-R84 WeakPolarHBondContact OE1-CD 3.44Å; E81-R84 WeakPolarHBondContact OE1-CG 3.31Å; E81-R84 IonicContact OE1-CZ 2.97Å; E81-R84 IonicContact OE1-NE 3.76Å; E81-R84 PolarHBondContact OE1-NE 2.82Å; E81-R84 IonicContact OE1-NH2 3.98Å; E81-R84 WeakPolarHBondContact OE2-CD 3.36Å; E81-R84 IonicContact OE2-CZ 2.88Å; E81-R84 VanDerWaalsContact OE2-CZ 3.26Å; E81-R84 IonicContact OE2-NE 3.98Å; E81-R84 PolarHBondContact OE2-NE 3.38Å; E81-R84 IonicContact OE2-NH1 3.44Å; E81-R84 IonicContact OE2-NH2 2.84Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.21Å; R84-K87 PolarHBondContact O-N 2.86Å; R84-L88 PolarHBondContact O-N 3.41Å
85	M	89	Confident	87.8	Confident	73 Å²	73	103.9 Å²	103.9	36%	0.36	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.1	-172.4	175.7	-73.9	0	0	111.5	A80 E81 V82 K87 L88 I89 I166	A80-M85 HydrophobicContact CB-CE 3.62Å; E81-M85 PolarHBondContact O-N 3.06Å; V82-M85 PolarHBondContact O-N 3.05Å; M85-K87 PolarHBondContact O-N 3.2Å; M85-L88 WeakPolarHBondContact O-CB 3.34Å; M85-L88 PolarHBondContact O-N 3.05Å; M85-I89 HydrophobicContact CG-CD1 4.19Å; M85-I89 WeakPolarHBondContact O-CG1 3.47Å; M85-I89 PolarHBondContact O-N 2.76Å; M85-I166 HydrophobicContact CB-CD1 4.12Å; M85-I166 HydrophobicContact CG-CD1 3.97Å; M85-I166 HydrophobicContact CG-CG2 4.19Å; M85-I166 HydrophobicContact SD-CB 4.1Å; M85-I166 HydrophobicContact SD-CD1 4.02Å; M85-I166 HydrophobicContact SD-CG2 3.6Å; M85-I166 VanDerWaalsContact SD-CG2 3.6Å
86	M	88.5	Confident	87.9	Confident	18 Å²	18	97.3 Å²	97.3	9%	0.089	49%	0.493	C	S	.	.	H	α-helix	trans	-58.5	-47.5	174.6	-172.3	65.5	80.8	0	0	111.3	V82 L88 I89 I90 I166 Y200	V82-M86 WeakPolarHBondContact O-CB 3.38Å; V82-M86 PolarHBondContact O-N 2.98Å; M86-L88 VanDerWaalsContact C-N 3.29Å; M86-L88 PolarHBondContact O-N 2.86Å; M86-I89 PolarHBondContact O-N 3.1Å; M86-I90 HydrophobicContact CG-CD1 3.76Å; M86-I90 WeakPolarHBondContact O-CG1 3.47Å; M86-I90 PolarHBondContact O-N 2.79Å; M86-I90 HydrophobicContact SD-CD1 4.11Å; M86-I166 HydrophobicContact CB-CD1 4.5Å; M86-I166 HydrophobicContact CE-CD1 4.32Å; M86-Y200 HydrophobicContact CE-CD1 3.57Å; M86-Y200 HydrophobicContact CE-CE1 3.69Å; M86-Y200 HydrophobicContact CE-CG 4.21Å; M86-Y200 HydrophobicContact SD-CD1 3.77Å; M86-Y200 HydrophobicContact SD-CE1 4.46Å; M86-Y200 HydrophobicContact SD-CG 3.91Å
87	K	88.4	Confident	88.1	Confident	128 Å²	128	94.3 Å²	94.3	56%	0.557	48%	0.479	S	S	*	.	H	α-helix	trans	-60.7	-35.4	176.5	-73.8	178.8	-178	-176.4	0	113.1	N83 R84 M85 N91	N83-K87 WeakPolarHBondContact O-CG 3.49Å; N83-K87 PolarHBondContact O-N 2.63Å; R84-K87 PolarHBondContact O-N 2.86Å; M85-K87 PolarHBondContact O-N 3.2Å; K87-N91 VanDerWaalsContact O-CB 3.26Å; K87-N91 WeakPolarHBondContact O-CB 3.23Å; K87-N91 PolarHBondContact O-N 3.18Å; K87-N91 PolarHBondContact O-ND2 2.74Å; K87-N91 VanDerWaalsContact O-ND2 3.13Å
88	L	89.7	Confident	88.3	Confident	106 Å²	106	92 Å²	92	56%	0.555	45%	0.453	S	S	*	.	H	α-helix	trans	-68.6	-43.2	175.2	-78.4	168.5	0	0	0	112	R84 M85 M86 I90 S92 L93	R84-L88 PolarHBondContact O-N 3.41Å; M85-L88 WeakPolarHBondContact O-CB 3.34Å; M85-L88 PolarHBondContact O-N 3.05Å; M86-L88 VanDerWaalsContact C-N 3.29Å; M86-L88 PolarHBondContact O-N 2.86Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 3.24Å; L88-S92 WeakPolarHBondContact O-CA 3.22Å; L88-S92 WeakPolarHBondContact O-CB 3.34Å; L88-S92 PolarHBondContact O-N 3.03Å; L88-L93 PolarHBondContact O-N 3.11Å
89	I	87.6	Confident	88.4	Confident	12 Å²	12	81.5 Å²	81.5	6%	0.062	41%	0.407	C	S	.	.	H	α-helix	trans	-61.4	-43.5	177.5	-67.4	167.2	0	0	0	110.4	M85 M86 L93 Y94 I166 V197	M85-I89 HydrophobicContact CG-CD1 4.19Å; M85-I89 WeakPolarHBondContact O-CG1 3.47Å; M85-I89 PolarHBondContact O-N 2.76Å; M86-I89 PolarHBondContact O-N 3.1Å; I89-L93 HydrophobicContact CB-CD2 4.43Å; I89-L93 HydrophobicContact CG1-CD2 4.38Å; I89-L93 HydrophobicContact CG2-CD2 4.04Å; I89-L93 VanDerWaalsContact O-CB 3.27Å; I89-L93 WeakPolarHBondContact O-CB 3.15Å; I89-Y94 HydrophobicContact CG2-CE2 4.41Å; I89-I166 HydrophobicContact CD1-CD1 4.33Å; I89-I166 HydrophobicContact CD1-CG2 3.54Å; I89-V197 HydrophobicContact CD1-CB 4.43Å; I89-V197 HydrophobicContact CD1-CG1 4.07Å
90	I	87.5	Confident	88.8	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.072	37%	0.365	C	S	.	.	H	α-helix	trans	-73.8	-48.7	-179.3	-61.3	167	0	0	0	111	M86 L88 F203 L204	M86-I90 HydrophobicContact CG-CD1 3.76Å; M86-I90 WeakPolarHBondContact O-CG1 3.47Å; M86-I90 PolarHBondContact O-N 2.79Å; M86-I90 HydrophobicContact SD-CD1 4.11Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 3.24Å; I90-F203 HydrophobicContact CD1-CB 3.55Å; I90-F203 HydrophobicContact CD1-CG 4.24Å; I90-F203 HydrophobicContact CG1-CB 3.93Å; I90-L204 HydrophobicContact CG2-CD2 4.34Å; I90-L204 WeakPolarHBondContact O-CD2 3.37Å
91	N	85.2	Confident	89.2	Confident	118 Å²	118	69.5 Å²	69.5	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-97.2	-14.9	-166.5	-61.1	-48	0	0	0	115.1	K87	K87-N91 VanDerWaalsContact O-CB 3.26Å; K87-N91 WeakPolarHBondContact O-CB 3.23Å; K87-N91 PolarHBondContact O-N 3.18Å; K87-N91 PolarHBondContact O-ND2 2.74Å; K87-N91 VanDerWaalsContact O-ND2 3.13Å
92	S	87.2	Confident	89.4	Confident	88 Å²	88	64.5 Å²	64.5	62%	0.615	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	-15.3	-168.2	-54.3	0	0	0	0	114.6	L88	L88-S92 WeakPolarHBondContact O-CA 3.22Å; L88-S92 WeakPolarHBondContact O-CB 3.34Å; L88-S92 PolarHBondContact O-N 3.03Å
93	L	87.3	Confident	89.7	Confident	55 Å²	55	60.8 Å²	60.8	29%	0.288	30%	0.295	S	S	.	.	S	Bend	trans	-83.2	-34.7	-173.6	-162.9	59.3	0	0	0	113.7	L88 I89 V197 V446	L88-L93 PolarHBondContact O-N 3.11Å; I89-L93 HydrophobicContact CB-CD2 4.43Å; I89-L93 HydrophobicContact CG1-CD2 4.38Å; I89-L93 HydrophobicContact CG2-CD2 4.04Å; I89-L93 VanDerWaalsContact O-CB 3.27Å; I89-L93 WeakPolarHBondContact O-CB 3.15Å; L93-V197 HydrophobicContact CD2-CG2 4.32Å; L93-V446 HydrophobicContact CD1-CB 4.38Å; L93-V446 HydrophobicContact CD1-CG1 3.4Å; L93-V446 HydrophobicContact CD2-CG1 3.48Å; L93-V446 VanDerWaalsContact CD2-CG1 3.48Å; L93-V446 HydrophobicContact CG-CG1 3.65Å
94	Y	87.5	Confident	90.2	Very high	18 Å²	18	56.7 Å²	56.7	7%	0.071	27%	0.272	C	S	.	.			trans	-117.4	131.3	-170.5	-57.5	-66.7	0	0	0	110	I89 I99 L204	I89-Y94 HydrophobicContact CG2-CE2 4.41Å; Y94-I99 HydrophobicContact CD1-CD1 2.91Å; Y94-I99 HydrophobicContact CD1-CG1 4.37Å; Y94-I99 HydrophobicContact CD2-CD1 3.78Å; Y94-I99 HydrophobicContact CE1-CD1 3.31Å; Y94-I99 HydrophobicContact CE2-CD1 4.12Å; Y94-I99 HydrophobicContact CG-CD1 3.13Å; Y94-I99 HydrophobicContact CG-CG1 4.37Å; Y94-L204 HydrophobicContact CD2-CD1 3.93Å; Y94-L204 HydrophobicContact CG-CD1 4.36Å
95	K	85.6	Confident	90.5	Very high	183 Å²	183	49 Å²	49	80%	0.796	24%	0.243	S	C	*	.	S	Bend	trans	-79.5	-44	178.7	-171.1	-178.9	178.6	-174.6	0	111.2
96	N	89.5	Confident	90.7	Very high	62 Å²	62	45.7 Å²	45.7	33%	0.332	23%	0.228	S	C	.	.			trans	-102.9	131.6	-178.4	-53	-55.8	0	0	0	109.9	E98 I99 E449	N96-E98 VanDerWaalsContact C-N 3.31Å; N96-E98 HydrophobicContact CB-CG 4.09Å; N96-E98 PolarHBondContact O-N 3.06Å; N96-I99 HydrophobicContact CB-CG2 4.42Å; N96-I99 WeakPolarHBondContact O-CG1 3.02Å; N96-E449 PolarHBondContact ND2-OE1 3.1Å
97	K	92.5	Very high	90.9	Very high	104 Å²	104	47.2 Å²	47.2	45%	0.452	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.4	179.1	-65.5	-174.1	-179.3	-178.1	0	113	I99 F100 L204 V205	K97-I99 PolarHBondContact O-N 2.8Å; K97-I99 VanDerWaalsContact O-N 3.1Å; K97-F100 WeakPolarHBondContact O-CD1 3.47Å; K97-F100 PolarHBondContact O-N 3.46Å; K97-L204 HydrophobicContact CB-CB 4.43Å; K97-L204 HydrophobicContact CG-CB 4.43Å; K97-V205 HydrophobicContact CB-CG1 4.15Å
98	E	93.4	Very high	91.3	Very high	39 Å²	39	41.3 Å²	41.3	18%	0.182	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.9	-175.4	71.4	-177.4	147.9	0	0	114.4	N96 F100 Y258 L267 K270 Y271	N96-E98 VanDerWaalsContact C-N 3.31Å; N96-E98 HydrophobicContact CB-CG 4.09Å; N96-E98 PolarHBondContact O-N 3.06Å; E98-F100 PolarHBondContact O-N 2.93Å; E98-F100 VanDerWaalsContact O-N 3.12Å; E98-Y258 HydrophobicContact CB-CE1 4.34Å; E98-Y258 PolarHBondContact N-OH 3.16Å; E98-L267 HydrophobicContact CB-CD2 3.65Å; E98-L267 HydrophobicContact CG-CD2 4.15Å; E98-L267 WeakPolarHBondContact OE2-CD2 3.39Å; E98-K270 IonicContact OE1-NZ 2.9Å; E98-K270 PolarHBondContact OE1-NZ 2.93Å; E98-K270 IonicContact OE2-NZ 3.44Å; E98-K270 PolarHBondContact OE2-NZ 2.81Å; E98-Y271 HydrophobicContact CG-CE2 3.84Å; E98-Y271 WeakPolarHBondContact CG-OH 3.23Å; E98-Y271 PolarHBondContact OE1-OH 3.19Å
99	I	92.3	Very high	91.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-16.7	-178	67.4	162.8	0	0	0	113.6	Y94 N96 K97 L101 R102 E103 L204 E449	Y94-I99 HydrophobicContact CD1-CD1 2.91Å; Y94-I99 HydrophobicContact CD1-CG1 4.37Å; Y94-I99 HydrophobicContact CD2-CD1 3.78Å; Y94-I99 HydrophobicContact CE1-CD1 3.31Å; Y94-I99 HydrophobicContact CE2-CD1 4.12Å; Y94-I99 HydrophobicContact CG-CD1 3.13Å; Y94-I99 HydrophobicContact CG-CG1 4.37Å; N96-I99 HydrophobicContact CB-CG2 4.42Å; N96-I99 WeakPolarHBondContact O-CG1 3.02Å; K97-I99 PolarHBondContact O-N 2.8Å; K97-I99 VanDerWaalsContact O-N 3.1Å; I99-L101 PolarHBondContact O-N 2.79Å; I99-R102 WeakPolarHBondContact O-CA 3.42Å; I99-R102 VanDerWaalsContact O-CB 3.31Å; I99-R102 WeakPolarHBondContact O-CB 3.31Å; I99-R102 PolarHBondContact O-N 3.36Å; I99-E103 PolarHBondContact O-N 3.17Å; I99-L204 HydrophobicContact CD1-CD1 4.26Å; I99-L204 HydrophobicContact CG1-CD1 4.02Å; I99-E449 WeakPolarHBondContact CG2-OE1 3.35Å
100	F	95	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.1	-41.4	-176.6	79.3	-82.7	0	0	0	109.9	K97 E98 R102 E103 L104 L145 V205 L249 Y258	K97-F100 WeakPolarHBondContact O-CD1 3.47Å; K97-F100 PolarHBondContact O-N 3.46Å; E98-F100 PolarHBondContact O-N 2.93Å; E98-F100 VanDerWaalsContact O-N 3.12Å; F100-R102 PolarHBondContact O-N 3.3Å; F100-E103 PolarHBondContact O-N 3.5Å; F100-L104 HydrophobicContact CD2-CD1 4.16Å; F100-L104 VanDerWaalsContact O-CG 3.27Å; F100-L104 WeakPolarHBondContact O-CG 3.42Å; F100-L104 PolarHBondContact O-N 3.11Å; F100-L145 HydrophobicContact CE2-CD2 3.69Å; F100-L145 HydrophobicContact CZ-CD2 3.8Å; F100-V205 HydrophobicContact CB-CG2 4.25Å; F100-V205 HydrophobicContact CD1-CB 4.42Å; F100-V205 HydrophobicContact CD1-CG1 3.83Å; F100-V205 HydrophobicContact CD1-CG2 3.73Å; F100-V205 HydrophobicContact CD2-CG2 3.7Å; F100-V205 HydrophobicContact CE1-CG1 4.12Å; F100-V205 HydrophobicContact CE1-CG2 3.98Å; F100-V205 HydrophobicContact CE2-CG2 3.96Å; F100-V205 HydrophobicContact CG-CG1 4.39Å; F100-V205 HydrophobicContact CG-CG2 3.58Å; F100-V205 HydrophobicContact CZ-CG2 4.09Å; F100-L249 HydrophobicContact CD2-CD1 3.68Å; F100-L249 HydrophobicContact CE2-CD1 3.53Å; F100-Y258 AromaticContact CE1-CD1 3.65Å; F100-Y258 HydrophobicContact CE1-CD1 3.65Å; F100-Y258 HydrophobicContact CE1-CD2 4.18Å; F100-Y258 AromaticContact CE1-CE1 3.69Å; F100-Y258 HydrophobicContact CE1-CE1 3.69Å; F100-Y258 HydrophobicContact CE1-CE2 4.25Å; F100-Y258 AromaticContact CE1-CG 3.9Å; F100-Y258 HydrophobicContact CE1-CG 3.9Å; F100-Y258 HydrophobicContact CZ-CD1 4.02Å; F100-Y258 HydrophobicContact CZ-CG 4.05Å
101	L	95.6	Very high	92.1	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-68.3	-37.6	-179.8	-169.7	61.8	0	0	0	111.4	I99 L104 I105 I136 V147 I264 L267 V268	I99-L101 PolarHBondContact O-N 2.79Å; L101-L104 PolarHBondContact O-N 3.29Å; L101-I105 HydrophobicContact CD1-CD1 4.14Å; L101-I105 HydrophobicContact CD1-CG1 4.3Å; L101-I105 HydrophobicContact CD2-CD1 4.45Å; L101-I105 HydrophobicContact CG-CD1 3.82Å; L101-I105 HydrophobicContact CG-CG1 4.37Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CG1 3.37Å; L101-I105 PolarHBondContact O-N 2.67Å; L101-I136 HydrophobicContact CD1-CD1 4.18Å; L101-V147 HydrophobicContact CD1-CG2 4Å; L101-I264 HydrophobicContact CD2-CD1 4.05Å; L101-I264 HydrophobicContact CD2-CG2 4.37Å; L101-L267 HydrophobicContact CD2-CB 3.86Å; L101-L267 HydrophobicContact CD2-CD1 4.36Å; L101-V268 HydrophobicContact CD2-CG2 3.92Å
102	R	94.1	Very high	92.5	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-48.3	172.9	178.3	-167.9	74.7	-169.4	-2.9	111.1	I99 F100 S106 Y271 V416 S447 R448	I99-R102 WeakPolarHBondContact O-CA 3.42Å; I99-R102 VanDerWaalsContact O-CB 3.31Å; I99-R102 WeakPolarHBondContact O-CB 3.31Å; I99-R102 PolarHBondContact O-N 3.36Å; F100-R102 PolarHBondContact O-N 3.3Å; R102-S106 VanDerWaalsContact O-CB 3.3Å; R102-S106 WeakPolarHBondContact O-CB 3.4Å; R102-S106 PolarHBondContact O-N 2.93Å; R102-S106 PolarHBondContact O-OG 2.86Å; R102-Y271 HydrophobicContact CB-CD1 4.29Å; R102-Y271 HydrophobicContact CB-CD2 4.5Å; R102-Y271 HydrophobicContact CB-CG 3.98Å; R102-Y271 HydrophobicContact CG-CD1 4.21Å; R102-Y271 HydrophobicContact CG-CG 4.24Å; R102-V416 HydrophobicContact CG-CG1 3.91Å; R102-S447 PolarHBondContact NH2-O 3.36Å; R102-R448 PolarHBondContact NH1-O 2.94Å
103	E	93.7	Very high	92.7	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-41.6	-179.4	-63.4	-56.5	130	0	0	111.5	I99 F100 S106 N107 G198 S201	I99-E103 PolarHBondContact O-N 3.17Å; F100-E103 PolarHBondContact O-N 3.5Å; E103-S106 PolarHBondContact O-N 3.04Å; E103-N107 PolarHBondContact O-N 2.89Å; E103-N107 PolarHBondContact O-ND2 3.37Å; E103-N107 VanDerWaalsContact O-ND2 3.15Å; E103-G198 WeakPolarHBondContact CB-O 3.41Å; E103-G198 WeakPolarHBondContact OE2-CA 3.38Å; E103-S201 WeakPolarHBondContact CB-OG 3.28Å; E103-S201 WeakPolarHBondContact CG-OG 3.39Å
104	L	95.9	Very high	92.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-44.9	177.6	-67.8	-175.7	0	0	0	112.4	F100 L101 S106 N107 A108 V147 F199 I247 L249	F100-L104 HydrophobicContact CD2-CD1 4.16Å; F100-L104 VanDerWaalsContact O-CG 3.27Å; F100-L104 WeakPolarHBondContact O-CG 3.42Å; F100-L104 PolarHBondContact O-N 3.11Å; L101-L104 PolarHBondContact O-N 3.29Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-N107 PolarHBondContact O-N 3.04Å; L104-A108 WeakPolarHBondContact O-CB 3.38Å; L104-A108 PolarHBondContact O-N 3.24Å; L104-V147 HydrophobicContact CB-CG1 4.48Å; L104-V147 HydrophobicContact CD1-CG2 4.09Å; L104-F199 HydrophobicContact CD2-CD2 4.48Å; L104-I247 HydrophobicContact CD1-CG2 4.29Å; L104-I247 HydrophobicContact CD2-CD1 3.75Å; L104-I247 HydrophobicContact CD2-CG2 4.3Å; L104-L249 HydrophobicContact CD1-CD1 3.88Å; L104-L249 HydrophobicContact CD1-CD2 4.31Å; L104-L249 HydrophobicContact CD1-CG 4.42Å
105	I	95.5	Very high	93.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.3	-37.5	176.9	-62.5	169.5	0	0	0	110.7	L101 N107 A108 S109 I136 V268 I275 I279	L101-I105 HydrophobicContact CD1-CD1 4.14Å; L101-I105 HydrophobicContact CD1-CG1 4.3Å; L101-I105 HydrophobicContact CD2-CD1 4.45Å; L101-I105 HydrophobicContact CG-CD1 3.82Å; L101-I105 HydrophobicContact CG-CG1 4.37Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CG1 3.37Å; L101-I105 PolarHBondContact O-N 2.67Å; I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 3.2Å; I105-A108 WeakPolarHBondContact O-CB 3.34Å; I105-A108 PolarHBondContact O-N 2.9Å; I105-S109 PolarHBondContact O-N 2.85Å; I105-I136 HydrophobicContact CD1-CD1 3.92Å; I105-I136 HydrophobicContact CG1-CD1 4.37Å; I105-V268 HydrophobicContact CD1-CG2 4.03Å; I105-I275 HydrophobicContact CB-CD1 4.38Å; I105-I275 HydrophobicContact CG2-CD1 3.43Å; I105-I275 VanDerWaalsContact CG2-CD1 3.43Å; I105-I279 HydrophobicContact CG2-CD1 3.67Å; I105-I279 HydrophobicContact CG2-CG1 4.37Å
106	S	92.7	Very high	93.4	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-61.8	-43.2	175.6	-59.3	0	0	0	0	111.4	R102 E103 L104 A108 S109 D110	R102-S106 VanDerWaalsContact O-CB 3.3Å; R102-S106 WeakPolarHBondContact O-CB 3.4Å; R102-S106 PolarHBondContact O-N 2.93Å; R102-S106 PolarHBondContact O-OG 2.86Å; E103-S106 PolarHBondContact O-N 3.04Å; L104-S106 VanDerWaalsContact C-N 3.34Å; S106-A108 VanDerWaalsContact C-N 3.35Å; S106-A108 PolarHBondContact O-N 2.79Å; S106-S109 WeakPolarHBondContact O-CB 3.27Å; S106-S109 PolarHBondContact O-N 2.85Å; S106-D110 PolarHBondContact O-N 3.46Å
107	N	93.9	Very high	93.4	Very high	50 Å²	50	16 Å²	16	27%	0.267	8%	0.076	S	C	.	.	H	α-helix	trans	-64.5	-38.8	175.2	-67.5	-28.6	0	0	0	112.2	E103 L104 I105 D110 A111	E103-N107 PolarHBondContact O-N 2.89Å; E103-N107 PolarHBondContact O-ND2 3.37Å; E103-N107 VanDerWaalsContact O-ND2 3.15Å; L104-N107 PolarHBondContact O-N 3.04Å; I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 3.2Å; N107-D110 PolarHBondContact O-N 2.95Å; N107-A111 PolarHBondContact O-N 3.43Å
108	A	95.7	Very high	93.2	Very high	4 Å²	4	13.1 Å²	13.1	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-42.8	173.9	0	0	0	0	0	111.7	L104 I105 S106 A111 L112 V134 D149	L104-A108 WeakPolarHBondContact O-CB 3.38Å; L104-A108 PolarHBondContact O-N 3.24Å; I105-A108 WeakPolarHBondContact O-CB 3.34Å; I105-A108 PolarHBondContact O-N 2.9Å; S106-A108 VanDerWaalsContact C-N 3.35Å; S106-A108 PolarHBondContact O-N 2.79Å; A108-A111 PolarHBondContact O-N 3.27Å; A108-L112 WeakPolarHBondContact O-CG 3.14Å; A108-L112 PolarHBondContact O-N 3.09Å; A108-V134 HydrophobicContact CB-CG1 4.23Å; A108-V134 HydrophobicContact CB-CG2 3.79Å; A108-D149 HydrophobicContact CB-CB 3.57Å
109	S	93.5	Very high	93.1	Very high	5 Å²	5	12.9 Å²	12.9	4%	0.035	7%	0.068	C	C	.	.	H	α-helix	trans	-60.3	-47.2	174.3	-169.3	0	0	0	0	111.6	I105 S106 A111 L112 D113 I275	I105-S109 PolarHBondContact O-N 2.85Å; S106-S109 WeakPolarHBondContact O-CB 3.27Å; S106-S109 PolarHBondContact O-N 2.85Å; S109-A111 VanDerWaalsContact C-N 3.25Å; S109-A111 PolarHBondContact O-N 2.97Å; S109-L112 WeakPolarHBondContact O-CB 3.45Å; S109-L112 PolarHBondContact O-N 2.82Å; S109-L112 VanDerWaalsContact O-N 3.13Å; S109-D113 PolarHBondContact O-N 2.62Å; S109-I275 WeakPolarHBondContact OG-CG2 3.37Å
110	D	92.7	Very high	92.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-57.6	-39.2	175.7	-78.9	-9.3	0	0	0	111.7	S106 N107 K114 T171 L191 I192 G193	S106-D110 PolarHBondContact O-N 3.46Å; N107-D110 PolarHBondContact O-N 2.95Å; D110-K114 VanDerWaalsContact O-CG 3.26Å; D110-K114 WeakPolarHBondContact O-CG 3.26Å; D110-K114 PolarHBondContact O-N 2.89Å; D110-T171 HydrophobicContact CB-CG2 4.38Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.49Å; D110-T171 PolarHBondContact OD2-OG1 2.73Å; D110-T171 VanDerWaalsContact OD2-OG1 3.12Å; D110-L191 HydrophobicContact CB-CD2 4.35Å; D110-I192 PolarHBondContact OD1-N 3.19Å; D110-G193 VanDerWaalsContact OD2-CA 3.32Å; D110-G193 WeakPolarHBondContact OD2-CA 3.35Å; D110-G193 PolarHBondContact OD2-N 3.06Å
111	A	94.6	Very high	92.6	Very high	15 Å²	15	23.8 Å²	23.8	12%	0.124	13%	0.13	C	C	.	.	H	α-helix	trans	-68.4	-36.8	178.1	0	0	0	0	0	112.5	N107 A108 S109 I115 G151 V152	N107-A111 PolarHBondContact O-N 3.43Å; A108-A111 PolarHBondContact O-N 3.27Å; S109-A111 VanDerWaalsContact C-N 3.25Å; S109-A111 PolarHBondContact O-N 2.97Å; A111-I115 PolarHBondContact O-N 3.17Å; A111-G151 WeakPolarHBondContact O-CA 3.47Å; A111-V152 PolarHBondContact O-N 2.92Å
112	L	94.8	Very high	92.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.7	-41	174.4	-69.6	168.7	0	0	0	111.6	A108 S109 I115 R116 L132 V134 T150 F277	A108-L112 WeakPolarHBondContact O-CG 3.14Å; A108-L112 PolarHBondContact O-N 3.09Å; S109-L112 WeakPolarHBondContact O-CB 3.45Å; S109-L112 PolarHBondContact O-N 2.82Å; S109-L112 VanDerWaalsContact O-N 3.13Å; L112-I115 WeakPolarHBondContact O-CG2 3.41Å; L112-I115 PolarHBondContact O-N 2.95Å; L112-R116 WeakPolarHBondContact O-CB 3.27Å; L112-R116 PolarHBondContact O-N 3Å; L112-L132 HydrophobicContact CD2-CB 3.97Å; L112-L132 HydrophobicContact CD2-CD2 3.87Å; L112-V134 HydrophobicContact CD1-CG2 3.64Å; L112-T150 WeakPolarHBondContact CD2-OG1 3.08Å; L112-F277 HydrophobicContact CB-CD1 3.99Å; L112-F277 HydrophobicContact CB-CD2 3.72Å; L112-F277 HydrophobicContact CB-CE1 3.82Å; L112-F277 HydrophobicContact CB-CE2 3.54Å; L112-F277 HydrophobicContact CB-CG 3.94Å; L112-F277 HydrophobicContact CB-CZ 3.59Å; L112-F277 HydrophobicContact CD1-CB 3.65Å; L112-F277 HydrophobicContact CD1-CD1 4.05Å; L112-F277 HydrophobicContact CD1-CD2 3.87Å; L112-F277 HydrophobicContact CD1-CG 3.58Å; L112-F277 HydrophobicContact CG-CD2 4.45Å; L112-F277 HydrophobicContact CG-CG 4.36Å
113	D	91.2	Very high	92	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-39.9	175.1	-83	-37.5	0	0	0	112.3	S109 R116 L117 L191 F277	S109-D113 PolarHBondContact O-N 2.62Å; D113-R116 PolarHBondContact O-N 3.06Å; D113-R116 IonicContact OD1-CZ 3.25Å; D113-R116 IonicContact OD1-NE 3.81Å; D113-R116 IonicContact OD1-NH1 3.14Å; D113-R116 PolarHBondContact OD1-NH1 3.26Å; D113-R116 IonicContact OD1-NH2 3.26Å; D113-R116 PolarHBondContact OD1-NH2 3.11Å; D113-L117 WeakPolarHBondContact O-CB 3.37Å; D113-L117 WeakPolarHBondContact O-CG 2.97Å; D113-L117 PolarHBondContact O-N 2.87Å; D113-L191 HydrophobicContact CB-CD2 4Å; D113-F277 HydrophobicContact CB-CE2 4.45Å; D113-F277 VanDerWaalsContact OD1-CE2 3.28Å; D113-F277 WeakPolarHBondContact OD1-CE2 3.27Å; D113-F277 WeakPolarHBondContact OD1-CZ 3.25Å
114	K	91.6	Very high	91.9	Very high	30 Å²	30	41.2 Å²	41.2	13%	0.13	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-50.4	174.5	-76.4	173.8	-166.9	176.3	0	111.9	D110 R116 L117 I118 V152 G170 T171 F174	D110-K114 VanDerWaalsContact O-CG 3.26Å; D110-K114 WeakPolarHBondContact O-CG 3.26Å; D110-K114 PolarHBondContact O-N 2.89Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 3.1Å; K114-L117 PolarHBondContact O-N 2.75Å; K114-I118 WeakPolarHBondContact O-CD1 3.25Å; K114-I118 WeakPolarHBondContact O-CG1 3.28Å; K114-I118 PolarHBondContact O-N 3.02Å; K114-V152 HydrophobicContact CB-CB 4.26Å; K114-V152 HydrophobicContact CB-CG1 3.93Å; K114-V152 HydrophobicContact CD-CG1 4.1Å; K114-G170 VanDerWaalsContact NZ-C 3.33Å; K114-G170 PolarHBondContact NZ-O 2.99Å; K114-T171 WeakPolarHBondContact CE-OG1 3.43Å; K114-T171 VanDerWaalsContact NZ-CA 3.33Å; K114-T171 PolarHBondContact NZ-OG1 3.28Å; K114-F174 HydrophobicContact CB-CE1 4.47Å; K114-F174 HydrophobicContact CB-CE2 4.27Å; K114-F174 HydrophobicContact CB-CZ 4.13Å; K114-F174 HydrophobicContact CD-CB 4.48Å; K114-F174 HydrophobicContact CD-CD2 4.25Å; K114-F174 HydrophobicContact CD-CG 4.2Å; K114-F174 HydrophobicContact CG-CD1 3.87Å; K114-F174 HydrophobicContact CG-CD2 4.03Å; K114-F174 HydrophobicContact CG-CE1 3.89Å; K114-F174 HydrophobicContact CG-CE2 4.05Å; K114-F174 HydrophobicContact CG-CG 3.92Å; K114-F174 HydrophobicContact CG-CZ 3.95Å
115	I	93	Very high	91.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-35.5	-179.7	-168.2	66	0	0	0	111.5	A111 L112 I118 S119 A125 L126 L132 V152	A111-I115 PolarHBondContact O-N 3.17Å; L112-I115 WeakPolarHBondContact O-CG2 3.41Å; L112-I115 PolarHBondContact O-N 2.95Å; I115-I118 PolarHBondContact O-N 3.17Å; I115-S119 WeakPolarHBondContact O-CB 3.39Å; I115-S119 PolarHBondContact O-N 3Å; I115-S119 PolarHBondContact O-OG 3.13Å; I115-A125 HydrophobicContact CD1-CB 3.95Å; I115-L126 HydrophobicContact CG1-CD2 4.02Å; I115-L132 HydrophobicContact CG2-CD2 3.61Å; I115-V152 HydrophobicContact CB-CB 4.07Å; I115-V152 HydrophobicContact CD1-CB 4.47Å; I115-V152 HydrophobicContact CD1-CG2 4.31Å
116	R	91.1	Very high	91.4	Very high	58 Å²	58	43.5 Å²	43.5	22%	0.219	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-48.2	173.5	-171.2	-173.6	70.5	-173.6	-0.1	110.9	L112 D113 K114 S119 L120 L132 E190 N276	L112-R116 WeakPolarHBondContact O-CB 3.27Å; L112-R116 PolarHBondContact O-N 3Å; D113-R116 PolarHBondContact O-N 3.06Å; D113-R116 IonicContact OD1-CZ 3.25Å; D113-R116 IonicContact OD1-NE 3.81Å; D113-R116 IonicContact OD1-NH1 3.14Å; D113-R116 PolarHBondContact OD1-NH1 3.26Å; D113-R116 IonicContact OD1-NH2 3.26Å; D113-R116 PolarHBondContact OD1-NH2 3.11Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 3.1Å; R116-S119 PolarHBondContact O-N 2.6Å; R116-S119 PolarHBondContact O-OG 3.48Å; R116-L120 PolarHBondContact O-N 2.75Å; R116-L132 HydrophobicContact CB-CD1 4.33Å; R116-E190 IonicContact CZ-OE2 3.71Å; R116-E190 IonicContact NH1-OE2 2.63Å; R116-E190 PolarHBondContact NH1-OE2 3.05Å; R116-E190 IonicContact NH2-OE2 3.86Å; R116-E190 PolarHBondContact NH2-OE2 2.96Å; R116-N276 PolarHBondContact NH1-ND2 2.78Å
117	L	88.3	Confident	91	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-42.3	177.2	-70.3	171.2	0	0	0	112.4	D113 K114 S119 L120 F174 M178	D113-L117 WeakPolarHBondContact O-CB 3.37Å; D113-L117 WeakPolarHBondContact O-CG 2.97Å; D113-L117 PolarHBondContact O-N 2.87Å; K114-L117 PolarHBondContact O-N 2.75Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.97Å; L117-L120 HydrophobicContact CD2-CD1 4.2Å; L117-L120 WeakPolarHBondContact O-CB 3.33Å; L117-L120 PolarHBondContact O-N 3.16Å; L117-F174 HydrophobicContact CB-CE1 4.49Å; L117-F174 HydrophobicContact CB-CZ 4.29Å; L117-F174 HydrophobicContact CD1-CE1 3.79Å; L117-F174 HydrophobicContact CD1-CZ 4.41Å; L117-M178 HydrophobicContact CB-CE 4.12Å
118	I	89.8	Confident	90.2	Very high	44 Å²	44	47 Å²	47	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-40.4	175.9	-66.9	162.9	0	0	0	110.6	K114 I115 L120 T121 D122 A125 V152 F174	K114-I118 WeakPolarHBondContact O-CD1 3.25Å; K114-I118 WeakPolarHBondContact O-CG1 3.28Å; K114-I118 PolarHBondContact O-N 3.02Å; I115-I118 PolarHBondContact O-N 3.17Å; I118-L120 PolarHBondContact O-N 2.89Å; I118-T121 CarbonylContact O-C 3.52Å; I118-T121 PolarHBondContact O-N 2.67Å; I118-T121 PolarHBondContact O-OG1 2.94Å; I118-D122 HydrophobicContact CG2-CB 4.34Å; I118-D122 PolarHBondContact O-N 2.94Å; I118-A125 HydrophobicContact CG2-CB 3.96Å; I118-V152 HydrophobicContact CD1-CG2 3.86Å; I118-F174 HydrophobicContact CD1-CE2 4.18Å; I118-F174 HydrophobicContact CG1-CE2 4.21Å; I118-F174 HydrophobicContact CG1-CZ 4.33Å
119	S	90.9	Very high	89.8	Confident	34 Å²	34	49 Å²	49	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-19.5	179.3	75.8	0	0	0	0	114.4	I115 R116 L117 T121	I115-S119 WeakPolarHBondContact O-CB 3.39Å; I115-S119 PolarHBondContact O-N 3Å; I115-S119 PolarHBondContact O-OG 3.13Å; R116-S119 PolarHBondContact O-N 2.6Å; R116-S119 PolarHBondContact O-OG 3.48Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 2.97Å; S119-T121 PolarHBondContact O-N 3.2Å
120	L	88.5	Confident	89.6	Confident	113 Å²	113	56.7 Å²	56.7	59%	0.592	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.5	171.4	-60.9	175.8	0	0	0	112.5	R116 L117 I118	R116-L120 PolarHBondContact O-N 2.75Å; L117-L120 HydrophobicContact CD2-CD1 4.2Å; L117-L120 WeakPolarHBondContact O-CB 3.33Å; L117-L120 PolarHBondContact O-N 3.16Å; I118-L120 PolarHBondContact O-N 2.89Å
121	T	87.6	Confident	89.6	Confident	117 Å²	117	61.3 Å²	61.3	72%	0.718	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-20.3	-177.6	58.1	0	0	0	0	113.9	I118 S119	I118-T121 CarbonylContact O-C 3.52Å; I118-T121 PolarHBondContact O-N 2.67Å; I118-T121 PolarHBondContact O-OG1 2.94Å; S119-T121 PolarHBondContact O-N 3.2Å
122	D	88.9	Confident	89.7	Confident	69 Å²	69	62.4 Å²	62.4	37%	0.369	34%	0.335	S	S	.	.			trans	-131.4	108.5	-180	178	10.1	0	0	0	110.9	I118 N124 A125	I118-D122 HydrophobicContact CG2-CB 4.34Å; I118-D122 PolarHBondContact O-N 2.94Å; D122-N124 PolarHBondContact O-N 3.16Å; D122-N124 PolarHBondContact OD1-N 2.9Å; D122-A125 HydrophobicContact CB-CB 4.29Å; D122-A125 VanDerWaalsContact O-CB 3.26Å; D122-A125 WeakPolarHBondContact O-CB 3.34Å; D122-A125 PolarHBondContact O-N 2.85Å; D122-A125 VanDerWaalsContact O-N 3.16Å
123	E	89.2	Confident	89.8	Confident	193 Å²	193	63 Å²	63	90%	0.902	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25	-180	-63.9	-175.8	169.3	0	0	113.1
124	N	90.8	Very high	90.1	Very high	114 Å²	114	62.9 Å²	62.9	61%	0.61	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-4	-178.3	-65.3	-60.7	0	0	0	113.4	D122 L126 S127	D122-N124 PolarHBondContact O-N 3.16Å; D122-N124 PolarHBondContact OD1-N 2.9Å; N124-L126 PolarHBondContact O-N 2.92Å; N124-S127 WeakPolarHBondContact O-CB 3.23Å; N124-S127 PolarHBondContact O-N 3.19Å; N124-S127 VanDerWaalsContact O-N 3.15Å; N124-S127 PolarHBondContact O-OG 3.22Å
125	A	90.5	Very high	90.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-35	-175.1	0	0	0	0	0	113.1	I115 I118 D122 N216 R243	I115-A125 HydrophobicContact CD1-CB 3.95Å; I118-A125 HydrophobicContact CG2-CB 3.96Å; D122-A125 HydrophobicContact CB-CB 4.29Å; D122-A125 VanDerWaalsContact O-CB 3.26Å; D122-A125 WeakPolarHBondContact O-CB 3.34Å; D122-A125 PolarHBondContact O-N 2.85Å; D122-A125 VanDerWaalsContact O-N 3.16Å; A125-N216 PolarHBondContact O-ND2 3.28Å; A125-R243 PolarHBondContact O-NH1 3.43Å
126	L	91.2	Very high	90.6	Very high	48 Å²	48	63.8 Å²	63.8	25%	0.251	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.9	-177.5	-63.1	175.9	0	0	0	114.3	I115 N124 G128 N129 L132 R243	I115-L126 HydrophobicContact CG1-CD2 4.02Å; N124-L126 PolarHBondContact O-N 2.92Å; L126-G128 PolarHBondContact O-N 3.5Å; L126-N129 CarbonylContact O-C 3.57Å; L126-N129 PolarHBondContact O-N 3.03Å; L126-N129 VanDerWaalsContact O-O 3.09Å; L126-L132 HydrophobicContact CD2-CD2 4.14Å; L126-R243 PolarHBondContact O-NH1 3.42Å
127	S	84.1	Confident	90.9	Very high	92 Å²	92	65.2 Å²	65.2	64%	0.643	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.9	-172.5	60.3	0	0	0	0	115.4	N124	N124-S127 WeakPolarHBondContact O-CB 3.23Å; N124-S127 PolarHBondContact O-N 3.19Å; N124-S127 VanDerWaalsContact O-N 3.15Å; N124-S127 PolarHBondContact O-OG 3.22Å
128	G	76.8	Confident	91.2	Very high	37 Å²	37	65.8 Å²	65.8	38%	0.381	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-28.4	177.8	0	0	0	0	0	114.6	L126	L126-G128 PolarHBondContact O-N 3.5Å
129	N	86	Confident	91.4	Very high	44 Å²	44	65.1 Å²	65.1	24%	0.235	35%	0.351	C	S	.	.			trans	-168.6	116.2	178	-172.7	-10.4	0	0	0	109.5	L126 E131 T150 R243	L126-N129 CarbonylContact O-C 3.57Å; L126-N129 PolarHBondContact O-N 3.03Å; L126-N129 VanDerWaalsContact O-O 3.09Å; N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 3.49Å; N129-E131 WeakPolarHBondContact OD1-CB 2.96Å; N129-E131 PolarHBondContact OD1-N 3.46Å; N129-T150 VanDerWaalsContact ND2-CG2 3.27Å; N129-T150 WeakPolarHBondContact ND2-CG2 3.34Å; N129-R243 PolarHBondContact O-NH1 2.87Å; N129-R243 PolarHBondContact O-NH2 2.85Å
130	E	89.9	Confident	91.4	Very high	167 Å²	167	69.7 Å²	69.7	78%	0.78	37%	0.367	S	S	*	.			trans	-75.7	-20.5	-178.6	-65	179.9	-178.9	0	0	113
131	E	93.1	Very high	91.6	Very high	99 Å²	99	73.2 Å²	73.2	46%	0.463	38%	0.38	S	S	.	.			trans	-71.6	137.5	-180	-64	-176.3	-176.3	0	0	111.5	N129 T133 K135 T150 R243	N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 3.49Å; N129-E131 WeakPolarHBondContact OD1-CB 2.96Å; N129-E131 PolarHBondContact OD1-N 3.46Å; E131-T133 HydrophobicContact CB-CG2 4.32Å; E131-K135 IonicContact OE2-NZ 2.65Å; E131-K135 PolarHBondContact OE2-NZ 3.45Å; E131-T150 VanDerWaalsContact O-CB 3.29Å; E131-T150 WeakPolarHBondContact O-CB 3.48Å; E131-T150 PolarHBondContact O-OG1 2.94Å; E131-T150 VanDerWaalsContact O-OG1 3.06Å; E131-R243 PolarHBondContact O-NH2 2.85Å
132	L	95.7	Very high	91.9	Very high	38 Å²	38	74.1 Å²	74.1	20%	0.199	37%	0.374	C	S	.	.			trans	-117.3	85.3	171.2	-63.1	-177.4	0	0	0	109.3	L112 I115 R116 L126 F277	L112-L132 HydrophobicContact CD2-CB 3.97Å; L112-L132 HydrophobicContact CD2-CD2 3.87Å; I115-L132 HydrophobicContact CG2-CD2 3.61Å; R116-L132 HydrophobicContact CB-CD1 4.33Å; L126-L132 HydrophobicContact CD2-CD2 4.14Å; L132-F277 HydrophobicContact CB-CD1 3.96Å; L132-F277 HydrophobicContact CB-CE1 4.1Å; L132-F277 HydrophobicContact CD1-CE1 4.09Å
133	T	96.9	Very high	92.2	Very high	11 Å²	11	72.8 Å²	72.8	7%	0.067	37%	0.367	C	S	.	.			trans	-139.8	157.5	-171.8	64.4	0	0	0	0	112.5	E131 K135 T150 P278 Y280	E131-T133 HydrophobicContact CB-CG2 4.32Å; T133-K135 WeakPolarHBondContact OG1-CE 3.44Å; T133-T150 PolarHBondContact N-OG1 2.87Å; T133-T150 PolarHBondContact O-N 2.92Å; T133-T150 PolarHBondContact O-OG1 2.92Å; T133-P278 HydrophobicContact CG2-CB 4.25Å; T133-P278 HydrophobicContact CG2-CG 4.49Å; T133-Y280 HydrophobicContact CG2-CD2 4.47Å; T133-Y280 HydrophobicContact CG2-CE2 3.79Å
134	V	97.6	Very high	92.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.3	168.4	-175.4	0	0	0	0	108.5	A108 L112 V147 T148 P278 I279 Y280	A108-V134 HydrophobicContact CB-CG1 4.23Å; A108-V134 HydrophobicContact CB-CG2 3.79Å; L112-V134 HydrophobicContact CD1-CG2 3.64Å; V134-V147 HydrophobicContact CG1-CG1 4.17Å; V134-T148 CarbonylContact C-O 3.58Å; V134-T148 WeakPolarHBondContact CA-O 3.45Å; V134-P278 PolarHBondContact N-O 3.31Å; V134-I279 HydrophobicContact CB-CG1 4.31Å; V134-I279 CarbonylContact O-C 3.55Å; V134-I279 WeakPolarHBondContact O-CA 3.49Å; V134-Y280 PolarHBondContact O-N 3.2Å
135	K	97.8	Very high	92.9	Very high	51 Å²	51	59.5 Å²	59.5	22%	0.222	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.6	-175.2	-69.3	-179.1	-176.1	168.4	0	109.8	E131 T133 T148 Y280 W333	E131-K135 IonicContact OE2-NZ 2.65Å; E131-K135 PolarHBondContact OE2-NZ 3.45Å; T133-K135 WeakPolarHBondContact OG1-CE 3.44Å; K135-T148 PolarHBondContact N-O 3.14Å; K135-T148 PolarHBondContact O-N 3.47Å; K135-Y280 CarbonylContact C-O 3.48Å; K135-Y280 WeakPolarHBondContact CA-O 3.41Å; K135-Y280 HydrophobicContact CG-CD2 4.24Å; K135-W333 HydrophobicContact CB-CE3 4.16Å; K135-W333 HydrophobicContact CB-CH2 3.7Å; K135-W333 HydrophobicContact CB-CZ2 4.3Å; K135-W333 HydrophobicContact CB-CZ3 3.62Å; K135-W333 HydrophobicContact CD-CD2 4.39Å; K135-W333 HydrophobicContact CD-CZ2 4.27Å; K135-W333 HydrophobicContact CG-CD2 4.48Å; K135-W333 HydrophobicContact CG-CE3 4.27Å; K135-W333 HydrophobicContact CG-CH2 4.41Å; K135-W333 HydrophobicContact CG-CZ3 4.22Å
136	I	97.7	Very high	93.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.6	-177.5	-56.7	166.7	0	0	0	110	L101 I105 L145 H146 I264 V268 I279 Y280 V281 W282 W333	L101-I136 HydrophobicContact CD1-CD1 4.18Å; I105-I136 HydrophobicContact CD1-CD1 3.92Å; I105-I136 HydrophobicContact CG1-CD1 4.37Å; I136-L145 HydrophobicContact CG2-CD1 3.82Å; I136-H146 CarbonylContact C-O 3.58Å; I136-H146 VanDerWaalsContact CA-O 3.29Å; I136-H146 WeakPolarHBondContact CA-O 3.33Å; I136-I264 HydrophobicContact CG2-CG2 3.92Å; I136-V268 HydrophobicContact CD1-CG2 3.68Å; I136-I279 HydrophobicContact CD1-CG2 3.95Å; I136-Y280 PolarHBondContact N-O 2.96Å; I136-V281 HydrophobicContact CB-CG2 4.19Å; I136-V281 HydrophobicContact CD1-CG2 4.3Å; I136-V281 WeakPolarHBondContact O-CA 3.29Å; I136-W282 PolarHBondContact O-N 3.07Å; I136-W333 WeakPolarHBondContact O-CZ3 3.44Å
137	K	96.7	Very high	93.6	Very high	87 Å²	87	59.2 Å²	59.2	38%	0.378	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.6	179.9	179.3	171.8	-179.8	165.3	0	111.3	H146 W282 W333	K137-H146 HydrophobicContact CB-CB 4.41Å; K137-H146 PolarHBondContact N-O 2.91Å; K137-H146 PolarHBondContact O-CD2 3.49Å; K137-H146 PolarHBondContact O-N 3.3Å; K137-W282 HydrophobicContact CB-CB 4.11Å; K137-W282 HydrophobicContact CD-CG 4.36Å; K137-W282 HydrophobicContact CG-CB 4.05Å; K137-W282 HydrophobicContact CG-CG 4.23Å; K137-W333 HydrophobicContact CB-CH2 4.12Å
138	C	94.9	Very high	94.2	Very high	24 Å²	24	56.7 Å²	56.7	16%	0.162	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.2	171.3	-51.9	0	0	0	0	109.9
139	D	93.8	Very high	95.2	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.16	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	92.5	170.7	-175.1	-24.8	0	0	0	107.9	E141 K142 N143 L144	D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 3.11Å; D139-E141 PolarHBondContact OD1-N 3.15Å; D139-K142 PolarHBondContact O-N 2.95Å; D139-K142 PolarHBondContact OD1-N 3.18Å; D139-K142 WeakPolarHBondContact OD2-CD 3.45Å; D139-K142 IonicContact OD2-NZ 2.86Å; D139-N143 PolarHBondContact O-N 3.14Å; D139-L144 HydrophobicContact CB-CB 4.24Å; D139-L144 PolarHBondContact N-O 2.85Å; D139-L144 PolarHBondContact O-N 3.06Å
140	K	92.3	Very high	95.8	Very high	130 Å²	130	53.8 Å²	53.8	57%	0.565	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.4	-177.6	-171.3	169.2	-179.1	167.6	0	112.4	K142 L259 E260	K140-K142 VanDerWaalsContact C-N 3.32Å; K140-K142 PolarHBondContact O-N 3.1Å; K140-L259 HydrophobicContact CG-CB 4.46Å; K140-L259 HydrophobicContact CG-CD1 4.34Å; K140-E260 IonicContact NZ-OE1 3.66Å; K140-E260 PolarHBondContact NZ-OE1 2.91Å; K140-E260 IonicContact NZ-OE2 3.33Å
141	E	92	Very high	96.1	Very high	186 Å²	186	45.9 Å²	45.9	87%	0.869	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.7	-179.9	-63.3	-177.6	174.7	0	0	111.8	D139	D139-E141 VanDerWaalsContact C-N 3.29Å; D139-E141 PolarHBondContact O-N 3.11Å; D139-E141 PolarHBondContact OD1-N 3.15Å
142	K	94	Very high	96.1	Very high	136 Å²	136	42 Å²	42	59%	0.591	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	0.9	-179	-62.3	-179.2	-168.6	149.9	0	114.1	D139 K140 L144	D139-K142 PolarHBondContact O-N 2.95Å; D139-K142 PolarHBondContact OD1-N 3.18Å; D139-K142 WeakPolarHBondContact OD2-CD 3.45Å; D139-K142 IonicContact OD2-NZ 2.86Å; K140-K142 VanDerWaalsContact C-N 3.32Å; K140-K142 PolarHBondContact O-N 3.1Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 HydrophobicContact CB-CD1 3.84Å; K142-L144 HydrophobicContact CB-CG 3.79Å; K142-L144 HydrophobicContact CD-CD1 4.27Å; K142-L144 WeakPolarHBondContact O-CG 3.05Å; K142-L144 PolarHBondContact O-N 2.89Å
143	N	95.5	Very high	96.1	Very high	42 Å²	42	40.4 Å²	40.4	23%	0.225	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	44.6	-174.9	-171	31	0	0	0	112.4	D139 L251 L259	D139-N143 PolarHBondContact O-N 3.14Å; N143-L251 PolarHBondContact ND2-O 3.19Å; N143-L251 PolarHBondContact O-N 3.21Å; N143-L259 WeakPolarHBondContact OD1-CD1 3.49Å
144	L	97.1	Very high	96.1	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.141	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.6	-177.7	-55.1	178	0	0	0	112.2	D139 K142 T248 L249 V250 L259	D139-L144 HydrophobicContact CB-CB 4.24Å; D139-L144 PolarHBondContact N-O 2.85Å; D139-L144 PolarHBondContact O-N 3.06Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 HydrophobicContact CB-CD1 3.84Å; K142-L144 HydrophobicContact CB-CG 3.79Å; K142-L144 HydrophobicContact CD-CD1 4.27Å; K142-L144 WeakPolarHBondContact O-CG 3.05Å; K142-L144 PolarHBondContact O-N 2.89Å; L144-T248 HydrophobicContact CB-CG2 4.29Å; L144-T248 HydrophobicContact CD1-CG2 4.13Å; L144-T248 HydrophobicContact CD2-CG2 4.05Å; L144-T248 HydrophobicContact CG-CG2 4.39Å; L144-L249 VanDerWaalsContact CA-O 3.32Å; L144-L249 WeakPolarHBondContact CA-O 3.09Å; L144-V250 HydrophobicContact CD2-CB 4.17Å; L144-V250 HydrophobicContact CD2-CG1 4.35Å; L144-V250 HydrophobicContact CD2-CG2 3.71Å; L144-L259 WeakPolarHBondContact O-CD2 3.44Å
145	L	97.5	Very high	96.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.1	166.4	177.4	61.9	0	0	0	109.6	F100 I136 T248 L249 L251 I264	F100-L145 HydrophobicContact CE2-CD2 3.69Å; F100-L145 HydrophobicContact CZ-CD2 3.8Å; I136-L145 HydrophobicContact CG2-CD1 3.82Å; L145-T248 WeakPolarHBondContact O-CA 3.35Å; L145-L249 HydrophobicContact CB-CB 4.3Å; L145-L249 HydrophobicContact CB-CD1 4.5Å; L145-L249 HydrophobicContact CD2-CD1 4.19Å; L145-L249 PolarHBondContact N-O 3.11Å; L145-L249 PolarHBondContact O-N 3.5Å; L145-L251 HydrophobicContact CB-CD1 4.18Å; L145-L251 HydrophobicContact CB-CG 4.43Å; L145-I264 HydrophobicContact CD1-CD1 4.31Å; L145-I264 HydrophobicContact CD2-CD1 3.95Å
146	H	97.9	Very high	96	Very high	39 Å²	39	46.6 Å²	46.6	18%	0.181	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.6	-179.4	-55.3	-77.3	0	0	0	110.7	I136 K137 I247 T248	I136-H146 CarbonylContact C-O 3.58Å; I136-H146 VanDerWaalsContact CA-O 3.29Å; I136-H146 WeakPolarHBondContact CA-O 3.33Å; K137-H146 HydrophobicContact CB-CB 4.41Å; K137-H146 PolarHBondContact N-O 2.91Å; K137-H146 PolarHBondContact O-CD2 3.49Å; K137-H146 PolarHBondContact O-N 3.3Å; H146-I247 CarbonylContact C-O 3.56Å; H146-I247 WeakPolarHBondContact CA-O 3.31Å; H146-T248 VanDerWaalsContact CE1-CG2 3.41Å; H146-T248 WeakPolarHBondContact CE1-CG2 3.5Å; H146-T248 WeakPolarHBondContact ND1-CG2 3.49Å; H146-T248 PolarHBondContact ND1-OG1 2.75Å
147	V	98	Very high	95.9	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	110.3	168.6	-176.5	0	0	0	0	107.4	L101 L104 V134 I247	L101-V147 HydrophobicContact CD1-CG2 4Å; L104-V147 HydrophobicContact CB-CG1 4.48Å; L104-V147 HydrophobicContact CD1-CG2 4.09Å; V134-V147 HydrophobicContact CG1-CG1 4.17Å; V147-I247 PolarHBondContact N-O 2.95Å; V147-I247 PolarHBondContact O-N 3.02Å
148	T	98	Very high	95.8	Very high	39 Å²	39	52 Å²	52	24%	0.239	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.1	-177.8	-58.1	0	0	0	0	110.2	V134 K135 T245 T246	V134-T148 CarbonylContact C-O 3.58Å; V134-T148 WeakPolarHBondContact CA-O 3.45Å; K135-T148 PolarHBondContact N-O 3.14Å; K135-T148 PolarHBondContact O-N 3.47Å; T148-T245 CarbonylContact C-O 3.51Å; T148-T245 WeakPolarHBondContact CA-O 3.43Å; T148-T246 VanDerWaalsContact CG2-OG1 3.31Å; T148-T246 WeakPolarHBondContact CG2-OG1 3.14Å; T148-T246 WeakPolarHBondContact OG1-CG2 3.39Å; T148-T246 PolarHBondContact OG1-OG1 3.01Å; T148-T246 VanDerWaalsContact OG1-OG1 3.06Å
149	D	97.7	Very high	95.7	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.059	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	155.6	172	79.6	-86.7	0	0	0	111	A108 G151 G244 T245	A108-D149 HydrophobicContact CB-CB 3.57Å; D149-G151 VanDerWaalsContact OD2-CA 3.3Å; D149-G151 WeakPolarHBondContact OD2-CA 3.35Å; D149-G151 PolarHBondContact OD2-N 2.84Å; D149-G244 WeakPolarHBondContact O-CA 3.49Å; D149-T245 PolarHBondContact N-O 3.27Å; D149-T245 PolarHBondContact O-N 3.39Å; D149-T245 VanDerWaalsContact O-N 3.1Å; D149-T245 VanDerWaalsContact OD1-CB 3.22Å; D149-T245 WeakPolarHBondContact OD1-CB 3.29Å; D149-T245 PolarHBondContact OD1-N 3.02Å; D149-T245 VanDerWaalsContact OD1-O 3.08Å
150	T	97.3	Very high	95.7	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	25%	0.248	C	C	.	.			trans	-108.5	26.9	178.2	47	0	0	0	0	111.2	L112 N129 E131 T133 R243	L112-T150 WeakPolarHBondContact CD2-OG1 3.08Å; N129-T150 VanDerWaalsContact ND2-CG2 3.27Å; N129-T150 WeakPolarHBondContact ND2-CG2 3.34Å; E131-T150 VanDerWaalsContact O-CB 3.29Å; E131-T150 WeakPolarHBondContact O-CB 3.48Å; E131-T150 PolarHBondContact O-OG1 2.94Å; E131-T150 VanDerWaalsContact O-OG1 3.06Å; T133-T150 PolarHBondContact N-OG1 2.87Å; T133-T150 PolarHBondContact O-N 2.92Å; T133-T150 PolarHBondContact O-OG1 2.92Å; T150-R243 PolarHBondContact O-NE 2.9Å; T150-R243 VanDerWaalsContact O-NE 3.09Å; T150-R243 PolarHBondContact O-NH2 3.14Å
151	G	96	Very high	95.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-72.9	-159.7	-179.1	0	0	0	0	0	113.5	A111 D149 G153 R243 G244	A111-G151 WeakPolarHBondContact O-CA 3.47Å; D149-G151 VanDerWaalsContact OD2-CA 3.3Å; D149-G151 WeakPolarHBondContact OD2-CA 3.35Å; D149-G151 PolarHBondContact OD2-N 2.84Å; G151-G153 VanDerWaalsContact C-N 3.26Å; G151-G153 PolarHBondContact O-N 3.04Å; G151-R243 VanDerWaalsContact O-CD 3.25Å; G151-R243 WeakPolarHBondContact O-CD 3.36Å; G151-R243 VanDerWaalsContact O-CG 3.24Å; G151-R243 WeakPolarHBondContact O-CG 3.16Å; G151-R243 PolarHBondContact O-NE 3.14Å; G151-G244 WeakPolarHBondContact O-CA 3.43Å
152	V	94.9	Very high	95.8	Very high	18 Å²	18	42.5 Å²	42.5	11%	0.109	21%	0.205	C	C	.	.			trans	-65.1	-25.9	-175.7	66	0	0	0	0	114.1	A111 K114 I115 I118 H215	A111-V152 PolarHBondContact O-N 2.92Å; K114-V152 HydrophobicContact CB-CB 4.26Å; K114-V152 HydrophobicContact CB-CG1 3.93Å; K114-V152 HydrophobicContact CD-CG1 4.1Å; I115-V152 HydrophobicContact CB-CB 4.07Å; I115-V152 HydrophobicContact CD1-CB 4.47Å; I115-V152 HydrophobicContact CD1-CG2 4.31Å; I118-V152 HydrophobicContact CD1-CG2 3.86Å; V152-H215 PolarHBondContact O-CD2 3.4Å; V152-H215 VanDerWaalsContact O-CD2 3.24Å
153	G	95.4	Very high	95.6	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	18%	0.181	C	C	.	.			trans	73.3	-177.6	-172.5	0	0	0	0	0	113	G151	G151-G153 VanDerWaalsContact C-N 3.26Å; G151-G153 PolarHBondContact O-N 3.04Å
154	M	96.6	Very high	95	Very high	34 Å²	34	36.2 Å²	36.2	17%	0.167	18%	0.184	C	C	.	.			trans	-130.9	137.2	178.8	-72.3	174.7	-76.5	0	0	110.7	E158 L159 L163 V211 S213 T245	M154-E158 WeakPolarHBondContact CA-OE2 3.19Å; M154-E158 HydrophobicContact CB-CB 3.96Å; M154-E158 HydrophobicContact CG-CB 4.17Å; M154-L159 HydrophobicContact CB-CD2 4.05Å; M154-L159 HydrophobicContact CB-CG 3.98Å; M154-L159 HydrophobicContact CE-CD2 3.81Å; M154-L159 HydrophobicContact SD-CD2 4.16Å; M154-L163 HydrophobicContact CE-CD1 3.95Å; M154-L163 HydrophobicContact CE-CD2 4.42Å; M154-L163 HydrophobicContact CE-CG 4.33Å; M154-L163 HydrophobicContact SD-CD1 4.29Å; M154-L163 HydrophobicContact SD-CD2 4.28Å; M154-L163 HydrophobicContact SD-CG 4.09Å; M154-V211 HydrophobicContact CE-CG1 4.29Å; M154-S213 PolarHBondContact N-OG 3.1Å; M154-T245 HydrophobicContact CE-CG2 4.26Å
155	T	96.3	Very high	94.4	Very high	25 Å²	25	38 Å²	38	15%	0.153	20%	0.196	C	C	.	.			trans	-69.3	167	167.1	61.3	0	0	0	0	111	E157 E158 L159 H215 D218	T155-E157 PolarHBondContact O-N 2.59Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.38Å; T155-E158 PolarHBondContact N-OE2 2.96Å; T155-E158 PolarHBondContact O-N 2.9Å; T155-E158 VanDerWaalsContact O-N 3.16Å; T155-E158 WeakPolarHBondContact OG1-CB 3.47Å; T155-E158 VanDerWaalsContact OG1-CG 3.28Å; T155-E158 WeakPolarHBondContact OG1-CG 3.46Å; T155-E158 PolarHBondContact OG1-N 3.05Å; T155-E158 PolarHBondContact OG1-OE2 3.13Å; T155-L159 WeakPolarHBondContact O-CG 3.37Å; T155-L159 PolarHBondContact O-N 2.7Å; T155-H215 HydrophobicContact CG2-CB 3.89Å; T155-D218 WeakPolarHBondContact CA-OD2 3.22Å; T155-D218 WeakPolarHBondContact CB-OD2 3.35Å; T155-D218 HydrophobicContact CG2-CB 3.91Å
156	R	96.1	Very high	93.9	Very high	133 Å²	133	39.3 Å²	39.3	50%	0.502	20%	0.203	S	C	.	.	H	α-helix	trans	-54.8	-41.7	173.4	-172	-178.1	175.1	-78.1	-3.8	111.9	V160 D218 V232	R156-V160 WeakPolarHBondContact O-CG2 3.44Å; R156-V160 PolarHBondContact O-N 3.27Å; R156-D218 PolarHBondContact N-OD2 3.01Å; R156-V232 HydrophobicContact CG-CG1 4.07Å
157	E	95.3	Very high	93.2	Very high	136 Å²	136	40.9 Å²	40.9	64%	0.636	22%	0.222	S	C	*	.	H	α-helix	trans	-65.7	-43.5	178.9	-171.7	-179.9	163.9	0	0	111	T155 V160 K161	T155-E157 PolarHBondContact O-N 2.59Å; E157-V160 PolarHBondContact O-N 3.3Å; E157-K161 WeakPolarHBondContact O-CB 3.5Å; E157-K161 PolarHBondContact O-N 3.15Å
158	E	94.5	Very high	92.6	Very high	64 Å²	64	43 Å²	43	30%	0.299	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-36.8	177.4	-72	168.1	138.3	0	0	112.7	M154 T155 V160 K161 N162	M154-E158 WeakPolarHBondContact CA-OE2 3.19Å; M154-E158 HydrophobicContact CB-CB 3.96Å; M154-E158 HydrophobicContact CG-CB 4.17Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.38Å; T155-E158 PolarHBondContact N-OE2 2.96Å; T155-E158 PolarHBondContact O-N 2.9Å; T155-E158 VanDerWaalsContact O-N 3.16Å; T155-E158 WeakPolarHBondContact OG1-CB 3.47Å; T155-E158 VanDerWaalsContact OG1-CG 3.28Å; T155-E158 WeakPolarHBondContact OG1-CG 3.46Å; T155-E158 PolarHBondContact OG1-N 3.05Å; T155-E158 PolarHBondContact OG1-OE2 3.13Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-V160 PolarHBondContact O-N 2.82Å; E158-K161 PolarHBondContact O-N 3.38Å; E158-N162 WeakPolarHBondContact O-CA 3.43Å; E158-N162 WeakPolarHBondContact O-CB 3.43Å; E158-N162 PolarHBondContact O-N 3.27Å
159	L	94.3	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-59.2	-46.5	173.1	-75.4	171.1	0	0	0	111.1	M154 T155 L163 V211 H221 W223 V232	M154-L159 HydrophobicContact CB-CD2 4.05Å; M154-L159 HydrophobicContact CB-CG 3.98Å; M154-L159 HydrophobicContact CE-CD2 3.81Å; M154-L159 HydrophobicContact SD-CD2 4.16Å; T155-L159 WeakPolarHBondContact O-CG 3.37Å; T155-L159 PolarHBondContact O-N 2.7Å; L159-L163 HydrophobicContact CD2-CD1 3.7Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 3.37Å; L159-V211 HydrophobicContact CD2-CG1 4.24Å; L159-H221 HydrophobicContact CD1-CB 3.68Å; L159-W223 HydrophobicContact CD1-CB 4.44Å; L159-W223 HydrophobicContact CD2-CB 4.15Å; L159-V232 HydrophobicContact CD1-CG1 4.49Å
160	V	94.1	Very high	91.3	Very high	56 Å²	56	42.3 Å²	42.3	34%	0.339	23%	0.232	S	C	.	.	I	π-helix	trans	-67.7	-45.9	178.3	174.5	0	0	0	0	111.1	R156 E157 E158 G164 F230 V232	R156-V160 WeakPolarHBondContact O-CG2 3.44Å; R156-V160 PolarHBondContact O-N 3.27Å; E157-V160 PolarHBondContact O-N 3.3Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-V160 PolarHBondContact O-N 2.82Å; V160-G164 VanDerWaalsContact O-CA 3.23Å; V160-G164 WeakPolarHBondContact O-CA 3.37Å; V160-G164 PolarHBondContact O-N 3.46Å; V160-F230 HydrophobicContact CG1-CE2 4.44Å; V160-F230 HydrophobicContact CG1-CZ 4.44Å; V160-F230 HydrophobicContact CG2-CE2 4.45Å; V160-V232 HydrophobicContact CG2-CG2 3.95Å
161	K	92.7	Very high	90.6	Very high	88 Å²	88	42.4 Å²	42.4	38%	0.383	23%	0.232	S	C	.	.	I	π-helix	trans	-79.2	-48.1	-171.1	-177.6	175.1	177.8	-176	0	112.4	E157 E158 T165 K168	E157-K161 WeakPolarHBondContact O-CB 3.5Å; E157-K161 PolarHBondContact O-N 3.15Å; E158-K161 PolarHBondContact O-N 3.38Å; K161-T165 WeakPolarHBondContact O-CB 3.37Å; K161-T165 PolarHBondContact O-N 3.05Å; K161-T165 PolarHBondContact O-OG1 3.39Å; K161-K168 HydrophobicContact CG-CD 4Å; K161-K168 VanDerWaalsContact CG-CE 3.48Å; K161-K168 WeakPolarHBondContact O-CD 3.44Å
162	N	92	Very high	90	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.144	25%	0.248	C	C	.	.	I	π-helix	trans	-83.9	-41.5	-172.9	-60.2	-18.5	0	0	0	112.5	E158	E158-N162 WeakPolarHBondContact O-CA 3.43Å; E158-N162 WeakPolarHBondContact O-CB 3.43Å; E158-N162 PolarHBondContact O-N 3.27Å
163	L	90.1	Very high	89.6	Confident	18 Å²	18	47 Å²	47	9%	0.094	26%	0.257	C	S	.	.	I	π-helix	trans	-86.2	-27.3	177.5	-56.1	-177.2	0	0	0	112.7	M154 L159 F199 Y200 V211 W223	M154-L163 HydrophobicContact CE-CD1 3.95Å; M154-L163 HydrophobicContact CE-CD2 4.42Å; M154-L163 HydrophobicContact CE-CG 4.33Å; M154-L163 HydrophobicContact SD-CD1 4.29Å; M154-L163 HydrophobicContact SD-CD2 4.28Å; M154-L163 HydrophobicContact SD-CG 4.09Å; L159-L163 HydrophobicContact CD2-CD1 3.7Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 3.37Å; L163-F199 HydrophobicContact CB-CE1 4.33Å; L163-F199 HydrophobicContact CD1-CZ 4.29Å; L163-F199 HydrophobicContact CD2-CD1 4.03Å; L163-F199 HydrophobicContact CD2-CD2 4.24Å; L163-F199 HydrophobicContact CD2-CE1 4.23Å; L163-F199 HydrophobicContact CD2-CE2 4.44Å; L163-F199 HydrophobicContact CD2-CG 4.04Å; L163-F199 HydrophobicContact CD2-CZ 4.43Å; L163-Y200 WeakPolarHBondContact O-CE1 3.47Å; L163-Y200 PolarHBondContact O-OH 2.58Å; L163-V211 HydrophobicContact CD1-CB 4.35Å; L163-V211 HydrophobicContact CD1-CG1 4.07Å; L163-V211 HydrophobicContact CD1-CG2 4.25Å; L163-W223 HydrophobicContact CB-CZ2 4.36Å; L163-W223 HydrophobicContact CD1-CD2 4.4Å
164	G	83.9	Confident	89.1	Confident	28 Å²	28	48.3 Å²	48.3	29%	0.289	26%	0.262	S	S	.	.	S	Bend	trans	-84.2	-6.2	179.3	0	0	0	0	0	115.3	V160	V160-G164 VanDerWaalsContact O-CA 3.23Å; V160-G164 WeakPolarHBondContact O-CA 3.37Å; V160-G164 PolarHBondContact O-N 3.46Å
165	T	84.9	Confident	88.3	Confident	65 Å²	65	48.8 Å²	48.8	40%	0.399	27%	0.265	S	S	.	.	S	Bend	trans	-117.4	114.3	-179.2	-49.8	0	0	0	0	111	K161 K168 Y200	K161-T165 WeakPolarHBondContact O-CB 3.37Å; K161-T165 PolarHBondContact O-N 3.05Å; K161-T165 PolarHBondContact O-OG1 3.39Å; T165-K168 HydrophobicContact CG2-CB 3.99Å; T165-K168 HydrophobicContact CG2-CD 4.26Å; T165-K168 WeakPolarHBondContact O-CB 3.36Å; T165-K168 PolarHBondContact O-N 3.23Å; T165-Y200 PolarHBondContact O-OH 2.84Å
166	I	85.5	Confident	87.6	Confident	27 Å²	27	51.3 Å²	51.3	14%	0.138	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	140.9	175.1	-58.7	177.4	0	0	0	110.1	V82 M85 M86 I89 K168 V197 Y200	V82-I166 HydrophobicContact CG1-CD1 3.89Å; M85-I166 HydrophobicContact CB-CD1 4.12Å; M85-I166 HydrophobicContact CG-CD1 3.97Å; M85-I166 HydrophobicContact CG-CG2 4.19Å; M85-I166 HydrophobicContact SD-CB 4.1Å; M85-I166 HydrophobicContact SD-CD1 4.02Å; M85-I166 HydrophobicContact SD-CG2 3.6Å; M85-I166 VanDerWaalsContact SD-CG2 3.6Å; M86-I166 HydrophobicContact CB-CD1 4.5Å; M86-I166 HydrophobicContact CE-CD1 4.32Å; I89-I166 HydrophobicContact CD1-CD1 4.33Å; I89-I166 HydrophobicContact CD1-CG2 3.54Å; I166-K168 VanDerWaalsContact C-N 3.25Å; I166-K168 PolarHBondContact O-N 3.39Å; I166-V197 HydrophobicContact CG2-CG1 4.26Å; I166-Y200 HydrophobicContact CB-CE2 4.37Å; I166-Y200 HydrophobicContact CG1-CE2 3.98Å; I166-Y200 HydrophobicContact CG2-CE2 4.48Å
167	A	83.7	Confident	87	Confident	71 Å²	71	51.7 Å²	51.7	59%	0.587	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	25.4	179.9	0	0	0	0	0	114.3	F195 G196	A167-F195 WeakPolarHBondContact CA-O 3.18Å; A167-G196 PolarHBondContact N-O 2.86Å
168	K	85.6	Confident	86.2	Confident	48 Å²	48	46.8 Å²	46.8	21%	0.209	26%	0.26	C	S	.	.			trans	-110.9	122.1	170.8	-166.5	176.2	-177.5	68.1	0	110.2	K161 T165 I166 E173 G196	K161-K168 HydrophobicContact CG-CD 4Å; K161-K168 VanDerWaalsContact CG-CE 3.48Å; K161-K168 WeakPolarHBondContact O-CD 3.44Å; T165-K168 HydrophobicContact CG2-CB 3.99Å; T165-K168 HydrophobicContact CG2-CD 4.26Å; T165-K168 WeakPolarHBondContact O-CB 3.36Å; T165-K168 PolarHBondContact O-N 3.23Å; I166-K168 VanDerWaalsContact C-N 3.25Å; I166-K168 PolarHBondContact O-N 3.39Å; K168-E173 WeakPolarHBondContact CE-OE1 3.42Å; K168-E173 IonicContact NZ-OE1 3.82Å; K168-E173 PolarHBondContact NZ-OE1 3.21Å; K168-G196 WeakPolarHBondContact O-CA 3.26Å
169	S	84.9	Confident	85.2	Confident	18 Å²	18	47.2 Å²	47.2	13%	0.126	27%	0.268	C	S	.	.			trans	-114.9	113.7	176.2	177.6	0	0	0	0	110.6	T171 S172 E173 G193 Q194	S169-T171 PolarHBondContact O-N 3.07Å; S169-T171 PolarHBondContact OG-N 2.95Å; S169-S172 PolarHBondContact O-N 2.79Å; S169-S172 PolarHBondContact OG-N 3.17Å; S169-E173 PolarHBondContact O-N 2.87Å; S169-G193 PolarHBondContact OG-O 2.66Å; S169-Q194 WeakPolarHBondContact CB-O 3.41Å
170	G	82.4	Confident	84.4	Confident	17 Å²	17	55 Å²	55	18%	0.175	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-17.8	169.6	0	0	0	0	0	112.8	K114 F174	K114-G170 VanDerWaalsContact NZ-C 3.33Å; K114-G170 PolarHBondContact NZ-O 2.99Å; G170-F174 VanDerWaalsContact O-CB 3.29Å; G170-F174 WeakPolarHBondContact O-CB 3.5Å; G170-F174 PolarHBondContact O-N 2.96Å; G170-F174 VanDerWaalsContact O-N 3.13Å
171	T	83.5	Confident	83.2	Confident	12 Å²	12	56.1 Å²	56.1	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-74.6	-40	172.3	-61.5	0	0	0	0	111.5	D110 K114 S169 F174 L175 L191 G193	D110-T171 HydrophobicContact CB-CG2 4.38Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.49Å; D110-T171 PolarHBondContact OD2-OG1 2.73Å; D110-T171 VanDerWaalsContact OD2-OG1 3.12Å; K114-T171 WeakPolarHBondContact CE-OG1 3.43Å; K114-T171 VanDerWaalsContact NZ-CA 3.33Å; K114-T171 PolarHBondContact NZ-OG1 3.28Å; S169-T171 PolarHBondContact O-N 3.07Å; S169-T171 PolarHBondContact OG-N 2.95Å; T171-F174 PolarHBondContact O-N 3.45Å; T171-L175 WeakPolarHBondContact O-CB 3.18Å; T171-L175 PolarHBondContact O-N 2.9Å; T171-L191 HydrophobicContact CG2-CB 3.76Å; T171-L191 HydrophobicContact CG2-CD1 4.03Å; T171-L191 HydrophobicContact CG2-CD2 3.9Å; T171-L191 HydrophobicContact CG2-CG 4.09Å; T171-G193 VanDerWaalsContact CB-O 3.3Å; T171-G193 WeakPolarHBondContact CB-O 3.2Å; T171-G193 WeakPolarHBondContact CG2-O 3.21Å
172	S	83.5	Confident	81.7	Confident	47 Å²	47	54.3 Å²	54.3	33%	0.329	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-45.3	174.3	-175.1	0	0	0	0	111.5	S169 F174 L175 N176	S169-S172 PolarHBondContact O-N 2.79Å; S169-S172 PolarHBondContact OG-N 3.17Å; S172-F174 VanDerWaalsContact C-N 3.32Å; S172-F174 PolarHBondContact O-N 2.85Å; S172-L175 PolarHBondContact O-N 3.2Å; S172-N176 PolarHBondContact O-N 3.16Å
173	E	86.2	Confident	79.5	Confident	67 Å²	67	62.4 Å²	62.4	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-38.4	175.1	-69.5	-173.4	177.7	0	0	112.5	K168 S169 K177	K168-E173 WeakPolarHBondContact CE-OE1 3.42Å; K168-E173 IonicContact NZ-OE1 3.82Å; K168-E173 PolarHBondContact NZ-OE1 3.21Å; S169-E173 PolarHBondContact O-N 2.87Å; E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.42Å; E173-K177 VanDerWaalsContact O-N 3.13Å
174	F	85.3	Confident	77.3	Confident	34 Å²	34	69.7 Å²	69.7	15%	0.149	39%	0.388	C	S	.	.	H	α-helix	trans	-66.7	-40.8	176.1	-174.2	-88.4	0	0	0	111.9	K114 L117 I118 G170 T171 S172 K177 M178 L191	K114-F174 HydrophobicContact CB-CE1 4.47Å; K114-F174 HydrophobicContact CB-CE2 4.27Å; K114-F174 HydrophobicContact CB-CZ 4.13Å; K114-F174 HydrophobicContact CD-CB 4.48Å; K114-F174 HydrophobicContact CD-CD2 4.25Å; K114-F174 HydrophobicContact CD-CG 4.2Å; K114-F174 HydrophobicContact CG-CD1 3.87Å; K114-F174 HydrophobicContact CG-CD2 4.03Å; K114-F174 HydrophobicContact CG-CE1 3.89Å; K114-F174 HydrophobicContact CG-CE2 4.05Å; K114-F174 HydrophobicContact CG-CG 3.92Å; K114-F174 HydrophobicContact CG-CZ 3.95Å; L117-F174 HydrophobicContact CB-CE1 4.49Å; L117-F174 HydrophobicContact CB-CZ 4.29Å; L117-F174 HydrophobicContact CD1-CE1 3.79Å; L117-F174 HydrophobicContact CD1-CZ 4.41Å; I118-F174 HydrophobicContact CD1-CE2 4.18Å; I118-F174 HydrophobicContact CG1-CE2 4.21Å; I118-F174 HydrophobicContact CG1-CZ 4.33Å; G170-F174 VanDerWaalsContact O-CB 3.29Å; G170-F174 WeakPolarHBondContact O-CB 3.5Å; G170-F174 PolarHBondContact O-N 2.96Å; G170-F174 VanDerWaalsContact O-N 3.13Å; T171-F174 PolarHBondContact O-N 3.45Å; S172-F174 VanDerWaalsContact C-N 3.32Å; S172-F174 PolarHBondContact O-N 2.85Å; F174-K177 PolarHBondContact O-N 3.04Å; F174-M178 HydrophobicContact CD1-CG 3.95Å; F174-M178 HydrophobicContact CE1-CE 3.67Å; F174-M178 HydrophobicContact CE1-CG 3.61Å; F174-M178 HydrophobicContact CE1-SD 4.48Å; F174-M178 HydrophobicContact CE2-CE 3.94Å; F174-M178 HydrophobicContact CZ-CE 3.23Å; F174-M178 HydrophobicContact CZ-CG 4.13Å; F174-M178 WeakPolarHBondContact O-CG 3.23Å; F174-M178 PolarHBondContact O-N 3.21Å; F174-L191 HydrophobicContact CD1-CD1 4.02Å
175	L	79.9	Confident	75.9	Confident	43 Å²	43	72.3 Å²	72.3	23%	0.225	41%	0.414	C	S	.	.	H	α-helix	trans	-61	-46.3	176.4	-173.3	147.9	0	0	0	110.9	T171 S172 K177 M178 T179 L191	T171-L175 WeakPolarHBondContact O-CB 3.18Å; T171-L175 PolarHBondContact O-N 2.9Å; S172-L175 PolarHBondContact O-N 3.2Å; L175-K177 PolarHBondContact O-N 2.92Å; L175-M178 PolarHBondContact O-N 3.27Å; L175-M178 VanDerWaalsContact O-N 3.16Å; L175-T179 HydrophobicContact CD2-CG2 4.09Å; L175-T179 PolarHBondContact O-N 3.09Å; L175-T179 PolarHBondContact O-OG1 3.25Å; L175-L191 HydrophobicContact CB-CD1 4.13Å; L175-L191 HydrophobicContact CD1-CD1 4.33Å
176	N	81.7	Confident	74.4	Confident	79 Å²	79	73.5 Å²	73.5	42%	0.422	42%	0.416	S	S	.	.	H	α-helix	trans	-59.4	-44.8	177	-68.1	-10.7	0	0	0	112	S172 M178 T179 E180	S172-N176 PolarHBondContact O-N 3.16Å; N176-M178 VanDerWaalsContact C-N 3.31Å; N176-M178 PolarHBondContact O-N 3.34Å; N176-T179 VanDerWaalsContact CA-OG1 3.31Å; N176-T179 WeakPolarHBondContact CA-OG1 3.47Å; N176-T179 PolarHBondContact O-N 3.09Å; N176-T179 PolarHBondContact O-OG1 2.91Å; N176-E180 WeakPolarHBondContact O-CG 3.46Å; N176-E180 PolarHBondContact O-N 3.31Å
177	K	83.6	Confident	73	Confident	141 Å²	141	75.8 Å²	75.8	61%	0.613	43%	0.434	S	S	*	.	H	α-helix	trans	-62.5	-37.8	176.3	-72.5	179	-177.7	-179.2	0	112.6	E173 F174 L175 A181	E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.42Å; E173-K177 VanDerWaalsContact O-N 3.13Å; F174-K177 PolarHBondContact O-N 3.04Å; L175-K177 PolarHBondContact O-N 2.92Å; K177-A181 WeakPolarHBondContact O-CB 3.43Å; K177-A181 PolarHBondContact O-N 3.01Å; K177-A181 VanDerWaalsContact O-N 3.15Å
178	M	77.2	Confident	71.9	Confident	32 Å²	32	73.9 Å²	73.9	16%	0.158	42%	0.415	C	S	.	.	H	α-helix	trans	-70.8	-39.1	177.1	-76.1	-64.8	-179.1	0	0	112	L117 F174 L175 N176 E180 A181 Q182 T188	L117-M178 HydrophobicContact CB-CE 4.12Å; F174-M178 HydrophobicContact CD1-CG 3.95Å; F174-M178 HydrophobicContact CE1-CE 3.67Å; F174-M178 HydrophobicContact CE1-CG 3.61Å; F174-M178 HydrophobicContact CE1-SD 4.48Å; F174-M178 HydrophobicContact CE2-CE 3.94Å; F174-M178 HydrophobicContact CZ-CE 3.23Å; F174-M178 HydrophobicContact CZ-CG 4.13Å; F174-M178 WeakPolarHBondContact O-CG 3.23Å; F174-M178 PolarHBondContact O-N 3.21Å; L175-M178 PolarHBondContact O-N 3.27Å; L175-M178 VanDerWaalsContact O-N 3.16Å; N176-M178 VanDerWaalsContact C-N 3.31Å; N176-M178 PolarHBondContact O-N 3.34Å; M178-E180 VanDerWaalsContact C-N 3.32Å; M178-E180 PolarHBondContact O-N 2.69Å; M178-A181 PolarHBondContact O-N 3.44Å; M178-Q182 WeakPolarHBondContact O-CB 3.46Å; M178-Q182 VanDerWaalsContact O-CG 3.27Å; M178-Q182 WeakPolarHBondContact O-CG 3.33Å; M178-Q182 PolarHBondContact O-N 3.34Å; M178-T188 HydrophobicContact CB-CG2 3.98Å
179	T	73.9	Confident	70.8	Confident	74 Å²	74	73.9 Å²	73.9	45%	0.454	42%	0.421	S	S	.	.	H	α-helix	trans	-66.3	-33.3	175.2	49	0	0	0	0	112.7	L175 N176	L175-T179 HydrophobicContact CD2-CG2 4.09Å; L175-T179 PolarHBondContact O-N 3.09Å; L175-T179 PolarHBondContact O-OG1 3.25Å; N176-T179 VanDerWaalsContact CA-OG1 3.31Å; N176-T179 WeakPolarHBondContact CA-OG1 3.47Å; N176-T179 PolarHBondContact O-N 3.09Å; N176-T179 PolarHBondContact O-OG1 2.91Å
180	E	77.3	Confident	70.1	Confident	163 Å²	163	74.6 Å²	74.6	76%	0.762	42%	0.423	S	S	*	.	H	α-helix	trans	-72.4	-29	174.6	-72.9	172	-169.7	0	0	112.6	N176 M178	N176-E180 WeakPolarHBondContact O-CG 3.46Å; N176-E180 PolarHBondContact O-N 3.31Å; M178-E180 VanDerWaalsContact C-N 3.32Å; M178-E180 PolarHBondContact O-N 2.69Å
181	A	70	Confident	70	Confident	79 Å²	79	74 Å²	74	65%	0.653	42%	0.415	S	S	*	.	H	α-helix	trans	-85.9	-9.2	-176.2	0	0	0	0	0	114.4	K177 M178	K177-A181 WeakPolarHBondContact O-CB 3.43Å; K177-A181 PolarHBondContact O-N 3.01Å; K177-A181 VanDerWaalsContact O-N 3.15Å; M178-A181 PolarHBondContact O-N 3.44Å
182	Q	60.9	Low	69.7	Low	51 Å²	51	73.9 Å²	73.9	24%	0.238	41%	0.414	C	S	.	.			trans	-115.5	121.5	-167.1	-74	173.1	-4.5	0	0	113.6	M178	M178-Q182 WeakPolarHBondContact O-CB 3.46Å; M178-Q182 VanDerWaalsContact O-CG 3.27Å; M178-Q182 WeakPolarHBondContact O-CG 3.33Å; M178-Q182 PolarHBondContact O-N 3.34Å
183	E	46.4	Very low	69.2	Low	197 Å²	197	72 Å²	72	92%	0.921	40%	0.403	S	S	*	.	S	Bend	trans	-85.3	113.5	151.8	-69	179.2	163.8	0	0	107.2
184	D	44	Very low	68.8	Low	171 Å²	171	73.9 Å²	73.9	91%	0.914	41%	0.411	S	S	*	.	S	Bend	trans	27.2	106.9	169.3	-70	-25.3	0	0	0	119.1
185	G	53.6	Low	68.5	Low	82 Å²	82	75.2 Å²	75.2	85%	0.845	42%	0.417	S	S	*	.			trans	144.6	-4.7	152.9	0	0	0	0	0	119.6
186	Q	53.6	Low	68.6	Low	91 Å²	91	74.1 Å²	74.1	43%	0.425	42%	0.416	S	S	.	.			trans	-101.1	127.7	179.6	-79.1	-174.1	-13	0	0	112.1	T188	Q186-T188 PolarHBondContact O-N 3.42Å
187	S	56.5	Low	68.9	Low	74 Å²	74	71.1 Å²	71.1	52%	0.517	40%	0.401	S	S	.	.			trans	-74.1	86.7	-174.2	55.6	0	0	0	0	112.4	S189	S187-S189 PolarHBondContact O-N 3.48Å
188	T	60.1	Low	69.1	Low	31 Å²	31	64.9 Å²	64.9	19%	0.19	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-74.8	2.3	167.7	54.5	0	0	0	0	113	M178 Q186 E190	M178-T188 HydrophobicContact CB-CG2 3.98Å; Q186-T188 PolarHBondContact O-N 3.42Å; T188-E190 PolarHBondContact O-N 3Å; T188-E190 VanDerWaalsContact O-N 3.16Å
189	S	62	Low	69.9	Low	49 Å²	49	64.2 Å²	64.2	34%	0.343	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-65.6	-16	-173.4	53.7	0	0	0	0	114.7	S187 R414	S187-S189 PolarHBondContact O-N 3.48Å; S189-R414 PolarHBondContact O-NH1 3.46Å; S189-R414 VanDerWaalsContact O-NH1 3.07Å
190	E	70.5	Confident	70.8	Confident	33 Å²	33	61 Å²	61	15%	0.154	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-84.9	-15.5	-174.4	-56.8	-162.3	149.5	0	0	114.2	R116 T188 I192 N276 R415	R116-E190 IonicContact CZ-OE2 3.71Å; R116-E190 IonicContact NH1-OE2 2.63Å; R116-E190 PolarHBondContact NH1-OE2 3.05Å; R116-E190 IonicContact NH2-OE2 3.86Å; R116-E190 PolarHBondContact NH2-OE2 2.96Å; T188-E190 PolarHBondContact O-N 3Å; T188-E190 VanDerWaalsContact O-N 3.16Å; E190-I192 PolarHBondContact O-N 2.85Å; E190-N276 PolarHBondContact OE1-ND2 2.96Å; E190-N276 PolarHBondContact OE2-ND2 2.76Å; E190-R415 IonicContact OE1-CZ 3.24Å; E190-R415 IonicContact OE1-NH1 3.82Å; E190-R415 IonicContact OE1-NH2 2.72Å; E190-R415 PolarHBondContact OE1-NH2 3.06Å
191	L	79.8	Confident	71.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	32%	0.316	C	S	.	.			trans	-69.4	129.5	-179.5	-66.1	175.4	0	0	0	112	D110 D113 T171 F174 L175 R414	D110-L191 HydrophobicContact CB-CD2 4.35Å; D113-L191 HydrophobicContact CB-CD2 4Å; T171-L191 HydrophobicContact CG2-CB 3.76Å; T171-L191 HydrophobicContact CG2-CD1 4.03Å; T171-L191 HydrophobicContact CG2-CD2 3.9Å; T171-L191 HydrophobicContact CG2-CG 4.09Å; F174-L191 HydrophobicContact CD1-CD1 4.02Å; L175-L191 HydrophobicContact CB-CD1 4.13Å; L175-L191 HydrophobicContact CD1-CD1 4.33Å; L191-R414 VanDerWaalsContact O-CD 3.28Å; L191-R414 WeakPolarHBondContact O-CD 3.29Å; L191-R414 PolarHBondContact O-NH1 3.49Å
192	I	77.9	Confident	72.7	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.046	29%	0.285	C	S	.	.			trans	-101.1	-40.7	-171.2	-59.8	159.5	0	0	0	111.6	D110 E190 Q194 R414 V416 R448	D110-I192 PolarHBondContact OD1-N 3.19Å; E190-I192 PolarHBondContact O-N 2.85Å; I192-Q194 PolarHBondContact O-N 3.38Å; I192-R414 HydrophobicContact CG1-CB 4.34Å; I192-V416 HydrophobicContact CD1-CG2 3.61Å; I192-V416 HydrophobicContact CG1-CG2 4.12Å; I192-V416 HydrophobicContact CG2-CG2 4.1Å; I192-R448 PolarHBondContact O-NH1 3.06Å; I192-R448 VanDerWaalsContact O-NH1 3.15Å; I192-R448 PolarHBondContact O-NH2 3.46Å
193	G	73.1	Confident	74.4	Confident	9 Å²	9	47.3 Å²	47.3	9%	0.093	27%	0.274	C	S	.	.			trans	-79.3	102.9	-167.9	0	0	0	0	0	115.9	D110 S169 T171	D110-G193 VanDerWaalsContact OD2-CA 3.32Å; D110-G193 WeakPolarHBondContact OD2-CA 3.35Å; D110-G193 PolarHBondContact OD2-N 3.06Å; S169-G193 PolarHBondContact OG-O 2.66Å; T171-G193 VanDerWaalsContact CB-O 3.3Å; T171-G193 WeakPolarHBondContact CB-O 3.2Å; T171-G193 WeakPolarHBondContact CG2-O 3.21Å
194	Q	76.7	Confident	76.6	Confident	106 Å²	106	38.4 Å²	38.4	50%	0.495	23%	0.233	S	C	.	.			trans	-106	-42.3	178	-66.1	-178.2	-11.8	0	0	114.1	S169 I192	S169-Q194 WeakPolarHBondContact CB-O 3.41Å; I192-Q194 PolarHBondContact O-N 3.38Å
195	F	78.9	Confident	79.1	Confident	62 Å²	62	30.3 Å²	30.3	27%	0.272	19%	0.19	S	C	.	.	S	Bend	trans	-76.4	-30.1	-167	-56.6	-71	0	0	0	116	A167 V197 V446 R448	A167-F195 WeakPolarHBondContact CA-O 3.18Å; F195-V197 HydrophobicContact CB-CG2 3.96Å; F195-V446 HydrophobicContact CD1-CG2 3.93Å; F195-V446 HydrophobicContact CE1-CG2 3.94Å; F195-V446 HydrophobicContact CG-CG2 4.42Å; F195-V446 HydrophobicContact CZ-CG2 4.45Å; F195-R448 HydrophobicContact CE2-CG 4.2Å
196	G	83.4	Confident	81.1	Confident	20 Å²	20	26.4 Å²	26.4	21%	0.206	15%	0.15	C	C	.	.	S	Bend	trans	72.6	27.8	-174.9	0	0	0	0	0	114.8	A167 K168	A167-G196 PolarHBondContact N-O 2.86Å; K168-G196 WeakPolarHBondContact O-CA 3.26Å
197	V	87.3	Confident	83.1	Confident	16 Å²	16	26.6 Å²	26.6	10%	0.097	15%	0.154	C	C	.	.			trans	-124.1	-11.2	175.7	-60	0	0	0	0	114.3	I89 L93 I166 F195 F199 Y200 V446	I89-V197 HydrophobicContact CD1-CB 4.43Å; I89-V197 HydrophobicContact CD1-CG1 4.07Å; L93-V197 HydrophobicContact CD2-CG2 4.32Å; I166-V197 HydrophobicContact CG2-CG1 4.26Å; F195-V197 HydrophobicContact CB-CG2 3.96Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 PolarHBondContact O-N 3.1Å; V197-Y200 PolarHBondContact O-N 3.36Å; V197-V446 HydrophobicContact CG2-CG1 4.4Å
198	G	88.7	Confident	85	Confident	9 Å²	9	26.7 Å²	26.7	9%	0.093	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.8	-36.6	-174.3	0	0	0	0	0	113.7	E103 Y200 S201	E103-G198 WeakPolarHBondContact CB-O 3.41Å; E103-G198 WeakPolarHBondContact OE2-CA 3.38Å; G198-Y200 VanDerWaalsContact C-N 3.29Å; G198-Y200 PolarHBondContact O-N 3.3Å; G198-S201 VanDerWaalsContact O-CB 3.27Å; G198-S201 WeakPolarHBondContact O-CB 3.17Å; G198-S201 PolarHBondContact O-N 2.97Å; G198-S201 VanDerWaalsContact O-N 3.12Å; G198-S201 PolarHBondContact O-OG 3.41Å
199	F	93.3	Very high	86.8	Confident	18 Å²	18	25.2 Å²	25.2	8%	0.079	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-56.7	-40.7	177.3	171.4	-107.7	0	0	0	112.8	L104 L163 V197 S201 A202 V209 V211 W223 I247	L104-F199 HydrophobicContact CD2-CD2 4.48Å; L163-F199 HydrophobicContact CB-CE1 4.33Å; L163-F199 HydrophobicContact CD1-CZ 4.29Å; L163-F199 HydrophobicContact CD2-CD1 4.03Å; L163-F199 HydrophobicContact CD2-CD2 4.24Å; L163-F199 HydrophobicContact CD2-CE1 4.23Å; L163-F199 HydrophobicContact CD2-CE2 4.44Å; L163-F199 HydrophobicContact CD2-CG 4.04Å; L163-F199 HydrophobicContact CD2-CZ 4.43Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 PolarHBondContact O-N 3.1Å; F199-S201 PolarHBondContact O-N 2.86Å; F199-S201 VanDerWaalsContact O-N 3.16Å; F199-A202 VanDerWaalsContact O-CB 3.27Å; F199-A202 WeakPolarHBondContact O-CB 3.28Å; F199-A202 PolarHBondContact O-N 2.97Å; F199-A202 VanDerWaalsContact O-N 3.1Å; F199-V209 HydrophobicContact CE2-CG1 4.13Å; F199-V209 HydrophobicContact CZ-CG1 3.92Å; F199-V211 HydrophobicContact CE2-CG2 3.75Å; F199-V211 HydrophobicContact CZ-CG2 3.72Å; F199-W223 AromaticContact CE1-CH2 3.78Å; F199-W223 HydrophobicContact CE1-CH2 3.78Å; F199-W223 HydrophobicContact CE1-CZ2 4.47Å; F199-W223 HydrophobicContact CE1-CZ3 4.07Å; F199-W223 HydrophobicContact CZ-CE3 4.46Å; F199-W223 AromaticContact CZ-CH2 3.99Å; F199-W223 HydrophobicContact CZ-CH2 3.99Å; F199-W223 AromaticContact CZ-CZ3 3.77Å; F199-W223 HydrophobicContact CZ-CZ3 3.77Å; F199-I247 HydrophobicContact CE2-CD1 4.39Å
200	Y	92.7	Very high	88.5	Confident	7 Å²	7	24.9 Å²	24.9	3%	0.027	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-69.8	-12.7	-177.5	-53.1	-63.5	0	0	0	113.5	M86 L163 T165 I166 V197 G198 A202 F203	M86-Y200 HydrophobicContact CE-CD1 3.57Å; M86-Y200 HydrophobicContact CE-CE1 3.69Å; M86-Y200 HydrophobicContact CE-CG 4.21Å; M86-Y200 HydrophobicContact SD-CD1 3.77Å; M86-Y200 HydrophobicContact SD-CE1 4.46Å; M86-Y200 HydrophobicContact SD-CG 3.91Å; L163-Y200 WeakPolarHBondContact O-CE1 3.47Å; L163-Y200 PolarHBondContact O-OH 2.58Å; T165-Y200 PolarHBondContact O-OH 2.84Å; I166-Y200 HydrophobicContact CB-CE2 4.37Å; I166-Y200 HydrophobicContact CG1-CE2 3.98Å; I166-Y200 HydrophobicContact CG2-CE2 4.48Å; V197-Y200 PolarHBondContact O-N 3.36Å; G198-Y200 VanDerWaalsContact C-N 3.29Å; G198-Y200 PolarHBondContact O-N 3.3Å; Y200-A202 PolarHBondContact O-N 3.15Å; Y200-F203 PolarHBondContact O-N 3.23Å
201	S	92.3	Very high	89.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.7	170.3	72	0	0	0	0	112.6	E103 G198 F199 F203 L204	E103-S201 WeakPolarHBondContact CB-OG 3.28Å; E103-S201 WeakPolarHBondContact CG-OG 3.39Å; G198-S201 VanDerWaalsContact O-CB 3.27Å; G198-S201 WeakPolarHBondContact O-CB 3.17Å; G198-S201 PolarHBondContact O-N 2.97Å; G198-S201 VanDerWaalsContact O-N 3.12Å; G198-S201 PolarHBondContact O-OG 3.41Å; F199-S201 PolarHBondContact O-N 2.86Å; F199-S201 VanDerWaalsContact O-N 3.16Å; S201-F203 PolarHBondContact O-N 3.44Å; S201-L204 WeakPolarHBondContact O-CB 3.22Å; S201-L204 WeakPolarHBondContact O-CD1 3.08Å; S201-L204 WeakPolarHBondContact O-CG 3.44Å; S201-L204 PolarHBondContact O-N 3.18Å
202	A	95.3	Very high	90.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-55.5	-34.5	172.5	0	0	0	0	0	112.9	F199 Y200 L204 V205 A206 V209 L249	F199-A202 VanDerWaalsContact O-CB 3.27Å; F199-A202 WeakPolarHBondContact O-CB 3.28Å; F199-A202 PolarHBondContact O-N 2.97Å; F199-A202 VanDerWaalsContact O-N 3.1Å; Y200-A202 PolarHBondContact O-N 3.15Å; A202-L204 PolarHBondContact O-N 3.19Å; A202-V205 PolarHBondContact O-N 2.92Å; A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 2.92Å; A202-V209 HydrophobicContact CB-CG2 3.91Å; A202-L249 HydrophobicContact CB-CD2 3.77Å
203	F	95.5	Very high	91.6	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.022	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-74.5	-2.9	178.3	-68.4	-74.8	0	0	0	114.1	I90 Y200 S201 V205 A206 V209 S227 K252	I90-F203 HydrophobicContact CD1-CB 3.55Å; I90-F203 HydrophobicContact CD1-CG 4.24Å; I90-F203 HydrophobicContact CG1-CB 3.93Å; Y200-F203 PolarHBondContact O-N 3.23Å; S201-F203 PolarHBondContact O-N 3.44Å; F203-V205 PolarHBondContact O-N 3.06Å; F203-A206 WeakPolarHBondContact CA-O 3.33Å; F203-V209 HydrophobicContact CD1-CG2 3.94Å; F203-V209 HydrophobicContact CD2-CG2 4.36Å; F203-V209 HydrophobicContact CE1-CB 4.12Å; F203-V209 HydrophobicContact CE1-CG2 3.62Å; F203-V209 HydrophobicContact CE2-CB 4.44Å; F203-V209 HydrophobicContact CE2-CG2 4.06Å; F203-V209 HydrophobicContact CG-CG2 4.3Å; F203-V209 HydrophobicContact CZ-CB 3.87Å; F203-V209 HydrophobicContact CZ-CG2 3.68Å; F203-S227 VanDerWaalsContact CE1-N 3.29Å; F203-K252 WeakPolarHBondContact O-CE 3.22Å; F203-K252 PolarHBondContact O-NZ 3.15Å
204	L	93.9	Very high	92.8	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.052	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-60	-41.8	167.7	-70.6	168.3	0	0	0	110.6	I90 Y94 K97 I99 S201 A202 K252	I90-L204 HydrophobicContact CG2-CD2 4.34Å; I90-L204 WeakPolarHBondContact O-CD2 3.37Å; Y94-L204 HydrophobicContact CD2-CD1 3.93Å; Y94-L204 HydrophobicContact CG-CD1 4.36Å; K97-L204 HydrophobicContact CB-CB 4.43Å; K97-L204 HydrophobicContact CG-CB 4.43Å; I99-L204 HydrophobicContact CD1-CD1 4.26Å; I99-L204 HydrophobicContact CG1-CD1 4.02Å; S201-L204 WeakPolarHBondContact O-CB 3.22Å; S201-L204 WeakPolarHBondContact O-CD1 3.08Å; S201-L204 WeakPolarHBondContact O-CG 3.44Å; S201-L204 PolarHBondContact O-N 3.18Å; A202-L204 PolarHBondContact O-N 3.19Å; L204-K252 PolarHBondContact O-NZ 3.12Å
205	V	95.8	Very high	93.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-11.9	-171	-60.3	0	0	0	0	113.6	K97 F100 A202 F203 L249 L251 K252 A255 Y258	K97-V205 HydrophobicContact CB-CG1 4.15Å; F100-V205 HydrophobicContact CB-CG2 4.25Å; F100-V205 HydrophobicContact CD1-CB 4.42Å; F100-V205 HydrophobicContact CD1-CG1 3.83Å; F100-V205 HydrophobicContact CD1-CG2 3.73Å; F100-V205 HydrophobicContact CD2-CG2 3.7Å; F100-V205 HydrophobicContact CE1-CG1 4.12Å; F100-V205 HydrophobicContact CE1-CG2 3.98Å; F100-V205 HydrophobicContact CE2-CG2 3.96Å; F100-V205 HydrophobicContact CG-CG1 4.39Å; F100-V205 HydrophobicContact CG-CG2 3.58Å; F100-V205 HydrophobicContact CZ-CG2 4.09Å; A202-V205 PolarHBondContact O-N 2.92Å; F203-V205 PolarHBondContact O-N 3.06Å; V205-L249 HydrophobicContact CG2-CD1 4.48Å; V205-L251 HydrophobicContact CB-CD2 4.24Å; V205-L251 HydrophobicContact CG2-CD2 3.95Å; V205-L251 WeakPolarHBondContact O-CA 3.4Å; V205-K252 WeakPolarHBondContact O-CG 3.47Å; V205-K252 PolarHBondContact O-N 3.16Å; V205-A255 HydrophobicContact CB-CB 3.95Å; V205-A255 HydrophobicContact CG1-CB 4.48Å; V205-A255 WeakPolarHBondContact O-CB 3.25Å; V205-Y258 HydrophobicContact CB-CD2 4.31Å; V205-Y258 HydrophobicContact CB-CE2 4.28Å; V205-Y258 HydrophobicContact CG1-CD2 4Å; V205-Y258 HydrophobicContact CG1-CE2 3.5Å
206	A	96.5	Very high	94.4	Very high	1 Å²	1	19 Å²	19	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.4	180	0	0	0	0	0	112.1	A202 F203 V209 L249 V250 K252	A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 2.92Å; F203-A206 WeakPolarHBondContact CA-O 3.33Å; A206-V209 HydrophobicContact CB-CG2 4.14Å; A206-L249 HydrophobicContact CB-CB 4Å; A206-L249 HydrophobicContact CB-CD2 4.24Å; A206-V250 CarbonylContact C-O 3.53Å; A206-V250 WeakPolarHBondContact CA-O 3.42Å; A206-V250 WeakPolarHBondContact CB-O 3.44Å; A206-K252 WeakPolarHBondContact O-CE 3.28Å
207	D	95.2	Very high	94.8	Very high	94 Å²	94	24.8 Å²	24.8	50%	0.503	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-31.9	169.2	-74.9	-44.6	0	0	0	111.5	V250 K252	D207-V250 PolarHBondContact N-O 3.3Å; D207-K252 WeakPolarHBondContact OD1-CG 3.42Å
208	K	96.7	Very high	95.1	Very high	77 Å²	77	26.3 Å²	26.3	34%	0.335	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.4	-178.6	178.1	-174	-69.2	-160	0	110.5	I210 E224 S225 V250	K208-I210 HydrophobicContact CD-CD1 4.46Å; K208-I210 HydrophobicContact CD-CG1 4.36Å; K208-I210 HydrophobicContact CG-CG1 4.35Å; K208-E224 HydrophobicContact CD-CG 4.07Å; K208-E224 VanDerWaalsContact CD-OE1 3.27Å; K208-E224 WeakPolarHBondContact CD-OE1 3.45Å; K208-E224 VanDerWaalsContact CE-OE1 3.29Å; K208-E224 WeakPolarHBondContact CE-OE1 3.26Å; K208-E224 HydrophobicContact CG-CG 4.24Å; K208-E224 IonicContact NZ-OE1 2.89Å; K208-E224 PolarHBondContact NZ-OE1 3.2Å; K208-S225 WeakPolarHBondContact CA-O 3.34Å; K208-S225 WeakPolarHBondContact CG-O 3.19Å; K208-V250 HydrophobicContact CB-CB 3.99Å; K208-V250 HydrophobicContact CB-CG2 3.98Å; K208-V250 HydrophobicContact CD-CG2 4.23Å; K208-V250 HydrophobicContact CG-CG2 4.27Å; K208-V250 PolarHBondContact O-N 3.41Å
209	V	97.5	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.2	177.9	-179.4	0	0	0	0	109.2	F199 A202 F203 A206 V211 W223 S225 I247 L249	F199-V209 HydrophobicContact CE2-CG1 4.13Å; F199-V209 HydrophobicContact CZ-CG1 3.92Å; A202-V209 HydrophobicContact CB-CG2 3.91Å; F203-V209 HydrophobicContact CD1-CG2 3.94Å; F203-V209 HydrophobicContact CD2-CG2 4.36Å; F203-V209 HydrophobicContact CE1-CB 4.12Å; F203-V209 HydrophobicContact CE1-CG2 3.62Å; F203-V209 HydrophobicContact CE2-CB 4.44Å; F203-V209 HydrophobicContact CE2-CG2 4.06Å; F203-V209 HydrophobicContact CG-CG2 4.3Å; F203-V209 HydrophobicContact CZ-CB 3.87Å; F203-V209 HydrophobicContact CZ-CG2 3.68Å; A206-V209 HydrophobicContact CB-CG2 4.14Å; V209-V211 HydrophobicContact CG1-CG2 4.01Å; V209-W223 HydrophobicContact CB-CZ3 4.46Å; V209-W223 HydrophobicContact CG1-CZ3 4.43Å; V209-S225 PolarHBondContact N-O 3.25Å; V209-S225 PolarHBondContact O-N 3.28Å; V209-I247 HydrophobicContact CG1-CG2 4.08Å; V209-L249 HydrophobicContact CG1-CD2 4.18Å; V209-L249 HydrophobicContact CG2-CD2 3.93Å
210	I	97.9	Very high	95.6	Very high	41 Å²	41	28.7 Å²	28.7	21%	0.21	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.3	178.2	-53	168	0	0	0	108	K208 I222 W223 E224 T248 V250	K208-I210 HydrophobicContact CD-CD1 4.46Å; K208-I210 HydrophobicContact CD-CG1 4.36Å; K208-I210 HydrophobicContact CG-CG1 4.35Å; I210-I222 HydrophobicContact CG2-CG2 3.73Å; I210-W223 CarbonylContact C-O 3.59Å; I210-W223 WeakPolarHBondContact CA-O 3.46Å; I210-E224 HydrophobicContact CG1-CG 4.12Å; I210-T248 PolarHBondContact N-O 2.84Å; I210-T248 PolarHBondContact O-N 3.49Å; I210-V250 HydrophobicContact CD1-CG2 4.39Å
211	V	98.1	Very high	95.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	110.6	-179.3	-177.1	0	0	0	0	108.5	M154 L159 L163 F199 V209 W223 T245 I247	M154-V211 HydrophobicContact CE-CG1 4.29Å; L159-V211 HydrophobicContact CD2-CG1 4.24Å; L163-V211 HydrophobicContact CD1-CB 4.35Å; L163-V211 HydrophobicContact CD1-CG1 4.07Å; L163-V211 HydrophobicContact CD1-CG2 4.25Å; F199-V211 HydrophobicContact CE2-CG2 3.75Å; F199-V211 HydrophobicContact CZ-CG2 3.72Å; V209-V211 HydrophobicContact CG1-CG2 4.01Å; V211-W223 HydrophobicContact CB-CB 4.22Å; V211-W223 HydrophobicContact CB-CE3 4.14Å; V211-W223 HydrophobicContact CG2-CE3 3.79Å; V211-W223 HydrophobicContact CG2-CZ3 4.21Å; V211-W223 PolarHBondContact N-O 2.83Å; V211-W223 PolarHBondContact O-N 2.87Å; V211-T245 HydrophobicContact CG1-CG2 3.37Å; V211-I247 HydrophobicContact CG1-CG1 4.38Å; V211-I247 HydrophobicContact CG2-CG1 4.31Å
212	T	98	Very high	96.1	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.055	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.8	171.8	-53.1	0	0	0	0	108.4	Q220 H221 I222 D235 L241 T245 T246	T212-Q220 HydrophobicContact CG2-CG 3.84Å; T212-H221 WeakPolarHBondContact CA-O 3.4Å; T212-I222 HydrophobicContact CG2-CG1 4.17Å; T212-D235 WeakPolarHBondContact CG2-OD2 3.47Å; T212-L241 HydrophobicContact CG2-CD1 3.77Å; T212-L241 HydrophobicContact CG2-CG 4.43Å; T212-L241 WeakPolarHBondContact O-CD1 3.46Å; T212-T245 CarbonylContact O-C 3.15Å; T212-T245 VanDerWaalsContact O-CA 3.31Å; T212-T245 WeakPolarHBondContact O-CA 3.44Å; T212-T245 WeakPolarHBondContact O-CG2 3.49Å; T212-T246 PolarHBondContact N-O 3.47Å; T212-T246 PolarHBondContact O-N 3.22Å
213	S	97.8	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.9	-176.7	-160	0	0	0	0	112.6	M154 Q220 H221 G244 T245	M154-S213 PolarHBondContact N-OG 3.1Å; S213-Q220 WeakPolarHBondContact O-CA 3.47Å; S213-H221 PolarHBondContact N-O 2.95Å; S213-H221 PolarHBondContact O-N 3.22Å; S213-G244 WeakPolarHBondContact CA-O 3.34Å; S213-G244 PolarHBondContact OG-O 3.37Å; S213-T245 PolarHBondContact OG-OG1 3.42Å
214	K	96.8	Very high	96.3	Very high	13 Å²	13	33.3 Å²	33.3	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	105.9	176.1	177	61	179.7	74.1	0	109.9	D218 Q220 N239 L241 G242 G244	K214-D218 WeakPolarHBondContact CD-O 3.03Å; K214-D218 WeakPolarHBondContact CE-O 3.46Å; K214-D218 PolarHBondContact NZ-O 3Å; K214-Q220 HydrophobicContact CB-CB 4.29Å; K214-Q220 HydrophobicContact CB-CG 4.22Å; K214-Q220 HydrophobicContact CD-CB 4.07Å; K214-N239 HydrophobicContact CD-CB 4.49Å; K214-N239 WeakPolarHBondContact CE-ND2 3.44Å; K214-N239 WeakPolarHBondContact CE-OD1 3.5Å; K214-L241 HydrophobicContact CB-CB 4.22Å; K214-G242 WeakPolarHBondContact CG-O 3.44Å; K214-G244 PolarHBondContact N-O 3.4Å; K214-G244 PolarHBondContact O-N 3.31Å
215	H	95.4	Very high	96.4	Very high	28 Å²	28	33.2 Å²	33.2	13%	0.13	17%	0.173	C	C	.	.			trans	-88.4	146.4	168.9	-173.7	-89.1	0	0	0	110.7	V152 T155 N217 D218	V152-H215 PolarHBondContact O-CD2 3.4Å; V152-H215 VanDerWaalsContact O-CD2 3.24Å; T155-H215 HydrophobicContact CG2-CB 3.89Å; H215-N217 PolarHBondContact ND1-N 3.12Å; H215-N217 VanDerWaalsContact ND1-N 3.12Å; H215-N217 PolarHBondContact O-N 2.97Å; H215-N217 VanDerWaalsContact O-N 3.11Å; H215-D218 PolarHBondContact O-N 3.47Å; H215-D218 VanDerWaalsContact O-N 3.14Å
216	N	93.3	Very high	96.2	Very high	50 Å²	50	36.2 Å²	36.2	27%	0.267	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.7	-178.2	-75.7	-11.8	0	0	0	112.9	A125 R243	A125-N216 PolarHBondContact O-ND2 3.28Å; N216-R243 WeakPolarHBondContact OD1-CG 3.32Å
217	N	91.8	Very high	96	Very high	142 Å²	142	37.6 Å²	37.6	76%	0.759	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	12.3	-174.8	-56.2	-11.8	0	0	0	115	H215	H215-N217 PolarHBondContact ND1-N 3.12Å; H215-N217 VanDerWaalsContact ND1-N 3.12Å; H215-N217 PolarHBondContact O-N 2.97Å; H215-N217 VanDerWaalsContact O-N 3.11Å
218	D	94.6	Very high	95.7	Very high	47 Å²	47	37.8 Å²	37.8	25%	0.251	20%	0.2	S	C	.	.	S	Bend	trans	-145.8	165.9	179.8	-159.2	-13.6	0	0	0	111.3	T155 R156 K214 H215 H221	T155-D218 WeakPolarHBondContact CA-OD2 3.22Å; T155-D218 WeakPolarHBondContact CB-OD2 3.35Å; T155-D218 HydrophobicContact CG2-CB 3.91Å; R156-D218 PolarHBondContact N-OD2 3.01Å; K214-D218 WeakPolarHBondContact CD-O 3.03Å; K214-D218 WeakPolarHBondContact CE-O 3.46Å; K214-D218 PolarHBondContact NZ-O 3Å; H215-D218 PolarHBondContact O-N 3.47Å; H215-D218 VanDerWaalsContact O-N 3.14Å; D218-H221 IonicContact OD1-CD2 3.66Å; D218-H221 IonicContact OD1-CE1 2.69Å; D218-H221 IonicContact OD1-NE2 3.71Å; D218-H221 PolarHBondContact OD1-NE2 2.97Å; D218-H221 IonicContact OD2-CD2 3.41Å; D218-H221 IonicContact OD2-NE2 2.71Å; D218-H221 PolarHBondContact OD2-NE2 3.5Å
219	T	94.7	Very high	95.5	Very high	74 Å²	74	41.2 Å²	41.2	45%	0.454	22%	0.217	S	C	.	.			trans	-70.6	162.1	170.5	56	0	0	0	0	111.1	H221	T219-H221 PolarHBondContact O-CD2 3.47Å; T219-H221 PolarHBondContact O-NE2 2.73Å; T219-H221 PolarHBondContact OG1-CE1 3.17Å; T219-H221 PolarHBondContact OG1-NE2 2.95Å
220	Q	97.2	Very high	95.4	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.014	23%	0.234	C	C	.	.			trans	-69.2	131.2	172.5	-169.3	167.2	-60.5	0	0	110.6	T212 S213 K214 D235 G238 N239 T240	T212-Q220 HydrophobicContact CG2-CG 3.84Å; S213-Q220 WeakPolarHBondContact O-CA 3.47Å; K214-Q220 HydrophobicContact CB-CB 4.29Å; K214-Q220 HydrophobicContact CB-CG 4.22Å; K214-Q220 HydrophobicContact CD-CB 4.07Å; Q220-D235 HydrophobicContact CB-CB 4.03Å; Q220-D235 HydrophobicContact CG-CB 3.83Å; Q220-D235 PolarHBondContact NE2-OD2 3.4Å; Q220-D235 PolarHBondContact O-N 3.15Å; Q220-G238 VanDerWaalsContact CD-O 3.31Å; Q220-G238 PolarHBondContact NE2-O 2.89Å; Q220-G238 PolarHBondContact OE1-O 3.06Å; Q220-N239 PolarHBondContact N-OD1 3.17Å; Q220-T240 PolarHBondContact NE2-OG1 3.48Å
221	H	97.6	Very high	95.4	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.056	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.8	178.2	-61.6	-77.7	0	0	0	110.8	L159 T212 S213 D218 T219 V232 I233	L159-H221 HydrophobicContact CD1-CB 3.68Å; T212-H221 WeakPolarHBondContact CA-O 3.4Å; S213-H221 PolarHBondContact N-O 2.95Å; S213-H221 PolarHBondContact O-N 3.22Å; D218-H221 IonicContact OD1-CD2 3.66Å; D218-H221 IonicContact OD1-CE1 2.69Å; D218-H221 IonicContact OD1-NE2 3.71Å; D218-H221 PolarHBondContact OD1-NE2 2.97Å; D218-H221 IonicContact OD2-CD2 3.41Å; D218-H221 IonicContact OD2-NE2 2.71Å; D218-H221 PolarHBondContact OD2-NE2 3.5Å; T219-H221 PolarHBondContact O-CD2 3.47Å; T219-H221 PolarHBondContact O-NE2 2.73Å; T219-H221 PolarHBondContact OG1-CE1 3.17Å; T219-H221 PolarHBondContact OG1-NE2 2.95Å; H221-V232 HydrophobicContact CB-CG1 4.43Å; H221-I233 CarbonylContact C-O 3.52Å; H221-I233 WeakPolarHBondContact CA-O 3.5Å
222	I	97.6	Very high	95.3	Very high	28 Å²	28	47.8 Å²	47.8	14%	0.144	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.6	171.9	-57.8	173.2	0	0	0	107.6	I210 T212 V232 I233 D235	I210-I222 HydrophobicContact CG2-CG2 3.73Å; T212-I222 HydrophobicContact CG2-CG1 4.17Å; I222-V232 WeakPolarHBondContact O-CA 3.4Å; I222-I233 HydrophobicContact CB-CG2 3.97Å; I222-I233 PolarHBondContact N-O 3.4Å; I222-I233 PolarHBondContact O-N 3.28Å; I222-D235 HydrophobicContact CD1-CB 4.13Å; I222-D235 HydrophobicContact CG1-CB 3.97Å
223	W	97.8	Very high	95.2	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.011	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.8	169.6	179.4	107.3	0	0	0	108.3	L159 L163 F199 V209 I210 V211 F230 S231 V232	L159-W223 HydrophobicContact CD1-CB 4.44Å; L159-W223 HydrophobicContact CD2-CB 4.15Å; L163-W223 HydrophobicContact CB-CZ2 4.36Å; L163-W223 HydrophobicContact CD1-CD2 4.4Å; F199-W223 AromaticContact CE1-CH2 3.78Å; F199-W223 HydrophobicContact CE1-CH2 3.78Å; F199-W223 HydrophobicContact CE1-CZ2 4.47Å; F199-W223 HydrophobicContact CE1-CZ3 4.07Å; F199-W223 HydrophobicContact CZ-CE3 4.46Å; F199-W223 AromaticContact CZ-CH2 3.99Å; F199-W223 HydrophobicContact CZ-CH2 3.99Å; F199-W223 AromaticContact CZ-CZ3 3.77Å; F199-W223 HydrophobicContact CZ-CZ3 3.77Å; V209-W223 HydrophobicContact CB-CZ3 4.46Å; V209-W223 HydrophobicContact CG1-CZ3 4.43Å; I210-W223 CarbonylContact C-O 3.59Å; I210-W223 WeakPolarHBondContact CA-O 3.46Å; V211-W223 HydrophobicContact CB-CB 4.22Å; V211-W223 HydrophobicContact CB-CE3 4.14Å; V211-W223 HydrophobicContact CG2-CE3 3.79Å; V211-W223 HydrophobicContact CG2-CZ3 4.21Å; V211-W223 PolarHBondContact N-O 2.83Å; V211-W223 PolarHBondContact O-N 2.87Å; W223-F230 AromaticContact CD1-CD2 3.78Å; W223-F230 HydrophobicContact CD2-CB 4.31Å; W223-F230 VanDerWaalsContact CE2-CB 3.46Å; W223-F230 AromaticContact CE2-CD2 3.96Å; W223-F230 AromaticContact CE2-CG 3.74Å; W223-F230 HydrophobicContact CH2-CB 4.26Å; W223-F230 HydrophobicContact CZ2-CB 3.43Å; W223-F230 VanDerWaalsContact CZ2-CB 3.43Å; W223-F230 HydrophobicContact CZ2-CD1 4.23Å; W223-F230 HydrophobicContact CZ2-CD2 4.48Å; W223-F230 AromaticContact CZ2-CG 3.82Å; W223-F230 HydrophobicContact CZ2-CG 3.82Å; W223-F230 AromaticContact NE1-CD2 3.13Å; W223-F230 AromaticContact NE1-CE2 3.81Å; W223-F230 AromaticContact NE1-CG 3.37Å; W223-S231 CarbonylContact C-O 3.56Å; W223-S231 VanDerWaalsContact CA-O 3.27Å; W223-S231 WeakPolarHBondContact CA-O 3.49Å; W223-V232 HydrophobicContact CG-CG2 4.36Å
224	E	97.3	Very high	95.1	Very high	66 Å²	66	55.2 Å²	55.2	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.9	-179.2	175.8	176.7	164.3	0	0	110.2	K208 I210 F230 S231	K208-E224 HydrophobicContact CD-CG 4.07Å; K208-E224 VanDerWaalsContact CD-OE1 3.27Å; K208-E224 WeakPolarHBondContact CD-OE1 3.45Å; K208-E224 VanDerWaalsContact CE-OE1 3.29Å; K208-E224 WeakPolarHBondContact CE-OE1 3.26Å; K208-E224 HydrophobicContact CG-CG 4.24Å; K208-E224 IonicContact NZ-OE1 2.89Å; K208-E224 PolarHBondContact NZ-OE1 3.2Å; I210-E224 HydrophobicContact CG1-CG 4.12Å; E224-F230 CarbonylContact O-C 3.56Å; E224-F230 WeakPolarHBondContact O-CA 3.26Å; E224-S231 PolarHBondContact N-O 2.82Å; E224-S231 PolarHBondContact O-N 2.95Å
225	S	96.1	Very high	95	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.9	179.4	-176.4	0	0	0	0	113.2	K208 V209 S227 E229	K208-S225 WeakPolarHBondContact CA-O 3.34Å; K208-S225 WeakPolarHBondContact CG-O 3.19Å; V209-S225 PolarHBondContact N-O 3.25Å; V209-S225 PolarHBondContact O-N 3.28Å; S225-S227 PolarHBondContact OG-N 2.93Å; S225-E229 VanDerWaalsContact CA-O 3.32Å; S225-E229 WeakPolarHBondContact CA-O 3.12Å; S225-E229 VanDerWaalsContact CB-O 3.25Å; S225-E229 WeakPolarHBondContact CB-O 3.4Å; S225-E229 PolarHBondContact OG-O 2.78Å
226	D	93.5	Very high	94.9	Very high	63 Å²	63	59.4 Å²	59.4	34%	0.337	33%	0.332	S	S	.	.			trans	-109.6	17.2	174.7	71.9	-16.8	0	0	0	112.8	N228 E229	D226-N228 VanDerWaalsContact C-N 3.29Å; D226-N228 PolarHBondContact O-N 3.35Å; D226-N228 WeakPolarHBondContact OD1-CB 3.48Å; D226-N228 PolarHBondContact OD1-N 3.47Å; D226-N228 PolarHBondContact OD2-ND2 3.28Å; D226-E229 PolarHBondContact OD1-N 3.24Å; D226-E229 VanDerWaalsContact OD1-N 3.15Å
227	S	91.2	Very high	94.9	Very high	30 Å²	30	64.4 Å²	64.4	21%	0.21	35%	0.347	C	S	.	.	S	Bend	trans	75.4	-11.1	-170.8	78.9	0	0	0	0	117.1	F203 S225	F203-S227 VanDerWaalsContact CE1-N 3.29Å; S225-S227 PolarHBondContact OG-N 2.93Å
228	N	90	Very high	94.8	Very high	99 Å²	99	59.1 Å²	59.1	53%	0.529	33%	0.326	S	S	.	.	S	Bend	trans	-95.3	-48.6	176	-57.9	-60.6	0	0	0	111.3	D226	D226-N228 VanDerWaalsContact C-N 3.29Å; D226-N228 PolarHBondContact O-N 3.35Å; D226-N228 WeakPolarHBondContact OD1-CB 3.48Å; D226-N228 PolarHBondContact OD1-N 3.47Å; D226-N228 PolarHBondContact OD2-ND2 3.28Å
229	E	92.4	Very high	94.6	Very high	149 Å²	149	61.5 Å²	61.5	70%	0.696	34%	0.338	S	S	*	.			trans	-138.8	169.5	177.2	64	179.8	-167.3	0	0	110.9	S225 D226	S225-E229 VanDerWaalsContact CA-O 3.32Å; S225-E229 WeakPolarHBondContact CA-O 3.12Å; S225-E229 VanDerWaalsContact CB-O 3.25Å; S225-E229 WeakPolarHBondContact CB-O 3.4Å; S225-E229 PolarHBondContact OG-O 2.78Å; D226-E229 PolarHBondContact OD1-N 3.24Å; D226-E229 VanDerWaalsContact OD1-N 3.15Å
230	F	95.6	Very high	94.5	Very high	81 Å²	81	62 Å²	62	36%	0.355	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149	176.7	65.1	-94	0	0	0	111.7	V160 W223 E224 V232	V160-F230 HydrophobicContact CG1-CE2 4.44Å; V160-F230 HydrophobicContact CG1-CZ 4.44Å; V160-F230 HydrophobicContact CG2-CE2 4.45Å; W223-F230 AromaticContact CD1-CD2 3.78Å; W223-F230 HydrophobicContact CD2-CB 4.31Å; W223-F230 VanDerWaalsContact CE2-CB 3.46Å; W223-F230 AromaticContact CE2-CD2 3.96Å; W223-F230 AromaticContact CE2-CG 3.74Å; W223-F230 HydrophobicContact CH2-CB 4.26Å; W223-F230 HydrophobicContact CZ2-CB 3.43Å; W223-F230 VanDerWaalsContact CZ2-CB 3.43Å; W223-F230 HydrophobicContact CZ2-CD1 4.23Å; W223-F230 HydrophobicContact CZ2-CD2 4.48Å; W223-F230 AromaticContact CZ2-CG 3.82Å; W223-F230 HydrophobicContact CZ2-CG 3.82Å; W223-F230 AromaticContact NE1-CD2 3.13Å; W223-F230 AromaticContact NE1-CE2 3.81Å; W223-F230 AromaticContact NE1-CG 3.37Å; E224-F230 CarbonylContact O-C 3.56Å; E224-F230 WeakPolarHBondContact O-CA 3.26Å; F230-V232 HydrophobicContact CD2-CG2 4.06Å; F230-V232 HydrophobicContact CE2-CG2 4.27Å
231	S	96.3	Very high	94.3	Very high	64 Å²	64	63.8 Å²	63.8	45%	0.448	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.5	175.6	65.2	0	0	0	0	110.3	W223 E224	W223-S231 CarbonylContact C-O 3.56Å; W223-S231 VanDerWaalsContact CA-O 3.27Å; W223-S231 WeakPolarHBondContact CA-O 3.49Å; E224-S231 PolarHBondContact N-O 2.82Å; E224-S231 PolarHBondContact O-N 2.95Å
232	V	96	Very high	94	Very high	34 Å²	34	64.4 Å²	64.4	21%	0.206	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121	177.7	-172.4	0	0	0	0	109.2	R156 L159 V160 H221 I222 W223 F230	R156-V232 HydrophobicContact CG-CG1 4.07Å; L159-V232 HydrophobicContact CD1-CG1 4.49Å; V160-V232 HydrophobicContact CG2-CG2 3.95Å; H221-V232 HydrophobicContact CB-CG1 4.43Å; I222-V232 WeakPolarHBondContact O-CA 3.4Å; W223-V232 HydrophobicContact CG-CG2 4.36Å; F230-V232 HydrophobicContact CD2-CG2 4.06Å; F230-V232 HydrophobicContact CE2-CG2 4.27Å
233	I	95.8	Very high	93.9	Very high	106 Å²	106	63.1 Å²	63.1	54%	0.544	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.5	-178	-169.3	168.7	0	0	0	110.4	H221 I222	H221-I233 CarbonylContact C-O 3.52Å; H221-I233 WeakPolarHBondContact CA-O 3.5Å; I222-I233 HydrophobicContact CB-CG2 3.97Å; I222-I233 PolarHBondContact N-O 3.4Å; I222-I233 PolarHBondContact O-N 3.28Å
234	A	95.6	Very high	93.9	Very high	58 Å²	58	63 Å²	63	48%	0.479	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.5	171.4	0	0	0	0	0	110.1	P236	A234-P236 WeakPolarHBondContact O-CD 3.42Å
235	D	95.3	Very high	93.9	Very high	11 Å²	11	60.2 Å²	60.2	6%	0.059	34%	0.341	C	S	.	.			trans	-70.9	118.2	-178.5	-165.6	-37.8	0	0	0	110.8	T212 Q220 I222 R237 G238	T212-D235 WeakPolarHBondContact CG2-OD2 3.47Å; Q220-D235 HydrophobicContact CB-CB 4.03Å; Q220-D235 HydrophobicContact CG-CB 3.83Å; Q220-D235 PolarHBondContact NE2-OD2 3.4Å; Q220-D235 PolarHBondContact O-N 3.15Å; I222-D235 HydrophobicContact CD1-CB 4.13Å; I222-D235 HydrophobicContact CG1-CB 3.97Å; D235-R237 PolarHBondContact O-N 3.03Å; D235-R237 VanDerWaalsContact O-N 3.12Å; D235-R237 VanDerWaalsContact OD1-CB 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 3.48Å; D235-R237 WeakPolarHBondContact OD1-CG 3.34Å; D235-R237 IonicContact OD1-CZ 2.66Å; D235-R237 PolarHBondContact OD1-N 3.23Å; D235-R237 IonicContact OD1-NE 2.73Å; D235-R237 PolarHBondContact OD1-NE 3.34Å; D235-R237 IonicContact OD1-NH2 3Å; D235-R237 IonicContact OD2-CZ 2.64Å; D235-R237 IonicContact OD2-NE 2.98Å; D235-R237 PolarHBondContact OD2-NE 2.65Å; D235-R237 IonicContact OD2-NH2 2.66Å; D235-R237 PolarHBondContact OD2-NH2 3Å; D235-G238 PolarHBondContact O-N 3.43Å; D235-G238 VanDerWaalsContact O-N 3.17Å
236	P	94.2	Very high	94	Very high	119 Å²	119	60.7 Å²	60.7	77%	0.773	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.3	-177.6	27.4	-35.5	0	0	0	113.5	A234 G238	A234-P236 WeakPolarHBondContact O-CD 3.42Å; P236-G238 VanDerWaalsContact C-N 3.3Å
237	R	92.9	Very high	94.2	Very high	154 Å²	154	58.4 Å²	58.4	58%	0.581	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.1	179.5	-58	168.9	-69.8	-174.5	-0	112.9	D235 T240	D235-R237 PolarHBondContact O-N 3.03Å; D235-R237 VanDerWaalsContact O-N 3.12Å; D235-R237 VanDerWaalsContact OD1-CB 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 3.48Å; D235-R237 WeakPolarHBondContact OD1-CG 3.34Å; D235-R237 IonicContact OD1-CZ 2.66Å; D235-R237 PolarHBondContact OD1-N 3.23Å; D235-R237 IonicContact OD1-NE 2.73Å; D235-R237 PolarHBondContact OD1-NE 3.34Å; D235-R237 IonicContact OD1-NH2 3Å; D235-R237 IonicContact OD2-CZ 2.64Å; D235-R237 IonicContact OD2-NE 2.98Å; D235-R237 PolarHBondContact OD2-NE 2.65Å; D235-R237 IonicContact OD2-NH2 2.66Å; D235-R237 PolarHBondContact OD2-NH2 3Å; R237-T240 HydrophobicContact CB-CG2 3.71Å
238	G	90.2	Very high	94.6	Very high	31 Å²	31	57.7 Å²	57.7	32%	0.32	33%	0.326	S	S	.	.			trans	79.3	-158.6	-171.2	0	0	0	0	0	112.8	Q220 D235 P236 T240	Q220-G238 VanDerWaalsContact CD-O 3.31Å; Q220-G238 PolarHBondContact NE2-O 2.89Å; Q220-G238 PolarHBondContact OE1-O 3.06Å; D235-G238 PolarHBondContact O-N 3.43Å; D235-G238 VanDerWaalsContact O-N 3.17Å; P236-G238 VanDerWaalsContact C-N 3.3Å; G238-T240 VanDerWaalsContact C-N 3.27Å; G238-T240 PolarHBondContact O-N 2.86Å
239	N	90.3	Very high	95	Very high	97 Å²	97	53 Å²	53	52%	0.519	30%	0.3	S	S	.	.	S	Bend	trans	-82.3	64.3	-171.9	-63.7	-21.1	0	0	0	112.3	K214 Q220 L241	K214-N239 HydrophobicContact CD-CB 4.49Å; K214-N239 WeakPolarHBondContact CE-ND2 3.44Å; K214-N239 WeakPolarHBondContact CE-OD1 3.5Å; Q220-N239 PolarHBondContact N-OD1 3.17Å; N239-L241 VanDerWaalsContact C-N 3.34Å; N239-L241 PolarHBondContact O-N 3.41Å
240	T	92.5	Very high	95.2	Very high	84 Å²	84	47.9 Å²	47.9	52%	0.515	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-27	-177.8	58.4	0	0	0	0	113.7	Q220 R237 G238	Q220-T240 PolarHBondContact NE2-OG1 3.48Å; R237-T240 HydrophobicContact CB-CG2 3.71Å; G238-T240 VanDerWaalsContact C-N 3.27Å; G238-T240 PolarHBondContact O-N 2.86Å
241	L	91.8	Very high	95.3	Very high	41 Å²	41	44.1 Å²	44.1	22%	0.215	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.1	-176.8	-64.1	-179.8	0	0	0	113.7	T212 K214 N239 R243 T246	T212-L241 HydrophobicContact CG2-CD1 3.77Å; T212-L241 HydrophobicContact CG2-CG 4.43Å; T212-L241 WeakPolarHBondContact O-CD1 3.46Å; K214-L241 HydrophobicContact CB-CB 4.22Å; N239-L241 VanDerWaalsContact C-N 3.34Å; N239-L241 PolarHBondContact O-N 3.41Å; L241-R243 PolarHBondContact O-N 3.42Å; L241-T246 WeakPolarHBondContact CD2-OG1 3.35Å
242	G	92.4	Very high	95.2	Very high	25 Å²	25	42.6 Å²	42.6	26%	0.258	25%	0.248	S	C	.	.	S	Bend	trans	71.3	-68.2	-168.1	0	0	0	0	0	112.1	K214	K214-G242 WeakPolarHBondContact CG-O 3.44Å
243	R	95.6	Very high	95.1	Very high	2 Å²	2	49 Å²	49	1%	0.008	28%	0.276	C	S	.	.	S	Bend	trans	-155.4	144.2	174.7	-169.1	-164.2	57.9	-113.2	-4.9	110.2	A125 L126 N129 E131 T150 G151 N216 L241	A125-R243 PolarHBondContact O-NH1 3.43Å; L126-R243 PolarHBondContact O-NH1 3.42Å; N129-R243 PolarHBondContact O-NH1 2.87Å; N129-R243 PolarHBondContact O-NH2 2.85Å; E131-R243 PolarHBondContact O-NH2 2.85Å; T150-R243 PolarHBondContact O-NE 2.9Å; T150-R243 VanDerWaalsContact O-NE 3.09Å; T150-R243 PolarHBondContact O-NH2 3.14Å; G151-R243 VanDerWaalsContact O-CD 3.25Å; G151-R243 WeakPolarHBondContact O-CD 3.36Å; G151-R243 VanDerWaalsContact O-CG 3.24Å; G151-R243 WeakPolarHBondContact O-CG 3.16Å; G151-R243 PolarHBondContact O-NE 3.14Å; N216-R243 WeakPolarHBondContact OD1-CG 3.32Å; L241-R243 PolarHBondContact O-N 3.42Å
244	G	96.7	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.8	-154.8	173.3	0	0	0	0	0	112.6	D149 G151 S213 K214	D149-G244 WeakPolarHBondContact O-CA 3.49Å; G151-G244 WeakPolarHBondContact O-CA 3.43Å; S213-G244 WeakPolarHBondContact CA-O 3.34Å; S213-G244 PolarHBondContact OG-O 3.37Å; K214-G244 PolarHBondContact N-O 3.4Å; K214-G244 PolarHBondContact O-N 3.31Å
245	T	98.1	Very high	95	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.043	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.7	-175.7	-49.3	0	0	0	0	111.6	T148 D149 M154 V211 T212 S213 I247	T148-T245 CarbonylContact C-O 3.51Å; T148-T245 WeakPolarHBondContact CA-O 3.43Å; D149-T245 PolarHBondContact N-O 3.27Å; D149-T245 PolarHBondContact O-N 3.39Å; D149-T245 VanDerWaalsContact O-N 3.1Å; D149-T245 VanDerWaalsContact OD1-CB 3.22Å; D149-T245 WeakPolarHBondContact OD1-CB 3.29Å; D149-T245 PolarHBondContact OD1-N 3.02Å; D149-T245 VanDerWaalsContact OD1-O 3.08Å; M154-T245 HydrophobicContact CE-CG2 4.26Å; V211-T245 HydrophobicContact CG1-CG2 3.37Å; T212-T245 CarbonylContact O-C 3.15Å; T212-T245 VanDerWaalsContact O-CA 3.31Å; T212-T245 WeakPolarHBondContact O-CA 3.44Å; T212-T245 WeakPolarHBondContact O-CG2 3.49Å; S213-T245 PolarHBondContact OG-OG1 3.42Å; T245-I247 HydrophobicContact CG2-CG1 4.19Å
246	T	98.2	Very high	94.8	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.117	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.5	166.2	-63.6	0	0	0	0	109	T148 T212 L241	T148-T246 VanDerWaalsContact CG2-OG1 3.31Å; T148-T246 WeakPolarHBondContact CG2-OG1 3.14Å; T148-T246 WeakPolarHBondContact OG1-CG2 3.39Å; T148-T246 PolarHBondContact OG1-OG1 3.01Å; T148-T246 VanDerWaalsContact OG1-OG1 3.06Å; T212-T246 PolarHBondContact N-O 3.47Å; T212-T246 PolarHBondContact O-N 3.22Å; L241-T246 WeakPolarHBondContact CD2-OG1 3.35Å
247	I	98.2	Very high	94.8	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.4	171.9	-58.4	178.2	0	0	0	107.9	L104 H146 V147 F199 V209 V211 T245 L249	L104-I247 HydrophobicContact CD1-CG2 4.29Å; L104-I247 HydrophobicContact CD2-CD1 3.75Å; L104-I247 HydrophobicContact CD2-CG2 4.3Å; H146-I247 CarbonylContact C-O 3.56Å; H146-I247 WeakPolarHBondContact CA-O 3.31Å; V147-I247 PolarHBondContact N-O 2.95Å; V147-I247 PolarHBondContact O-N 3.02Å; F199-I247 HydrophobicContact CE2-CD1 4.39Å; V209-I247 HydrophobicContact CG1-CG2 4.08Å; V211-I247 HydrophobicContact CG1-CG1 4.38Å; V211-I247 HydrophobicContact CG2-CG1 4.31Å; T245-I247 HydrophobicContact CG2-CG1 4.19Å; I247-L249 HydrophobicContact CG2-CD2 3.95Å
248	T	98.1	Very high	95	Very high	15 Å²	15	43.2 Å²	43.2	9%	0.092	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.3	177.1	-59.1	0	0	0	0	109.1	L144 L145 H146 I210	L144-T248 HydrophobicContact CB-CG2 4.29Å; L144-T248 HydrophobicContact CD1-CG2 4.13Å; L144-T248 HydrophobicContact CD2-CG2 4.05Å; L144-T248 HydrophobicContact CG-CG2 4.39Å; L145-T248 WeakPolarHBondContact O-CA 3.35Å; H146-T248 VanDerWaalsContact CE1-CG2 3.41Å; H146-T248 WeakPolarHBondContact CE1-CG2 3.5Å; H146-T248 WeakPolarHBondContact ND1-CG2 3.49Å; H146-T248 PolarHBondContact ND1-OG1 2.75Å; I210-T248 PolarHBondContact N-O 2.84Å; I210-T248 PolarHBondContact O-N 3.49Å
249	L	98.1	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.9	178.2	-55.1	-178.9	0	0	0	108.7	F100 L104 L144 L145 A202 V205 A206 V209 I247 L251	F100-L249 HydrophobicContact CD2-CD1 3.68Å; F100-L249 HydrophobicContact CE2-CD1 3.53Å; L104-L249 HydrophobicContact CD1-CD1 3.88Å; L104-L249 HydrophobicContact CD1-CD2 4.31Å; L104-L249 HydrophobicContact CD1-CG 4.42Å; L144-L249 VanDerWaalsContact CA-O 3.32Å; L144-L249 WeakPolarHBondContact CA-O 3.09Å; L145-L249 HydrophobicContact CB-CB 4.3Å; L145-L249 HydrophobicContact CB-CD1 4.5Å; L145-L249 HydrophobicContact CD2-CD1 4.19Å; L145-L249 PolarHBondContact N-O 3.11Å; L145-L249 PolarHBondContact O-N 3.5Å; A202-L249 HydrophobicContact CB-CD2 3.77Å; V205-L249 HydrophobicContact CG2-CD1 4.48Å; A206-L249 HydrophobicContact CB-CB 4Å; A206-L249 HydrophobicContact CB-CD2 4.24Å; V209-L249 HydrophobicContact CG1-CD2 4.18Å; V209-L249 HydrophobicContact CG2-CD2 3.93Å; I247-L249 HydrophobicContact CG2-CD2 3.95Å; L249-L251 HydrophobicContact CB-CD2 4.02Å; L249-L251 HydrophobicContact CD1-CD2 4.48Å; L249-L251 PolarHBondContact O-N 3.07Å
250	V	97.6	Very high	95.3	Very high	41 Å²	41	41.5 Å²	41.5	25%	0.248	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	99.4	165.7	-172.9	0	0	0	0	106.4	L144 A206 D207 K208 I210	L144-V250 HydrophobicContact CD2-CB 4.17Å; L144-V250 HydrophobicContact CD2-CG1 4.35Å; L144-V250 HydrophobicContact CD2-CG2 3.71Å; A206-V250 CarbonylContact C-O 3.53Å; A206-V250 WeakPolarHBondContact CA-O 3.42Å; A206-V250 WeakPolarHBondContact CB-O 3.44Å; D207-V250 PolarHBondContact N-O 3.3Å; K208-V250 HydrophobicContact CB-CB 3.99Å; K208-V250 HydrophobicContact CB-CG2 3.98Å; K208-V250 HydrophobicContact CD-CG2 4.23Å; K208-V250 HydrophobicContact CG-CG2 4.27Å; K208-V250 PolarHBondContact O-N 3.41Å; I210-V250 HydrophobicContact CD1-CG2 4.39Å
251	L	96.8	Very high	95.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	149.5	-170	-64.2	175.1	0	0	0	111.3	N143 L145 V205 L249 A255 L259	N143-L251 PolarHBondContact ND2-O 3.19Å; N143-L251 PolarHBondContact O-N 3.21Å; L145-L251 HydrophobicContact CB-CD1 4.18Å; L145-L251 HydrophobicContact CB-CG 4.43Å; V205-L251 HydrophobicContact CB-CD2 4.24Å; V205-L251 HydrophobicContact CG2-CD2 3.95Å; V205-L251 WeakPolarHBondContact O-CA 3.4Å; L249-L251 HydrophobicContact CB-CD2 4.02Å; L249-L251 HydrophobicContact CD1-CD2 4.48Å; L249-L251 PolarHBondContact O-N 3.07Å; L251-A255 HydrophobicContact CB-CB 4.42Å; L251-L259 HydrophobicContact CD1-CD1 4.39Å; L251-L259 HydrophobicContact CD1-CD2 3.61Å; L251-L259 HydrophobicContact CD1-CG 3.67Å
252	K	95.9	Very high	95.5	Very high	32 Å²	32	42.7 Å²	42.7	14%	0.139	23%	0.226	C	C	.	.			trans	-67.8	154.8	169.9	-57.4	-176.6	-177.9	164.2	0	109.8	F203 L204 V205 A206 D207 E254 A255	F203-K252 WeakPolarHBondContact O-CE 3.22Å; F203-K252 PolarHBondContact O-NZ 3.15Å; L204-K252 PolarHBondContact O-NZ 3.12Å; V205-K252 WeakPolarHBondContact O-CG 3.47Å; V205-K252 PolarHBondContact O-N 3.16Å; A206-K252 WeakPolarHBondContact O-CE 3.28Å; D207-K252 WeakPolarHBondContact OD1-CG 3.42Å; K252-E254 VanDerWaalsContact C-N 3.25Å; K252-E254 HydrophobicContact CB-CG 4.39Å; K252-E254 WeakPolarHBondContact CB-OE2 3.41Å; K252-E254 WeakPolarHBondContact CD-OE1 3.26Å; K252-E254 PolarHBondContact O-N 3.39Å; K252-A255 HydrophobicContact CB-CB 4.19Å; K252-A255 WeakPolarHBondContact O-CB 3.38Å; K252-A255 PolarHBondContact O-N 3.36Å
253	E	92.8	Very high	95.6	Very high	168 Å²	168	43.6 Å²	43.6	79%	0.785	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-57.5	-40.4	177.5	-65.8	-173.7	170.1	0	0	111.6	A255 S256	E253-A255 PolarHBondContact O-N 2.95Å; E253-S256 PolarHBondContact O-N 2.97Å; E253-S256 PolarHBondContact O-OG 3.06Å
254	E	94.4	Very high	95.6	Very high	123 Å²	123	43.5 Å²	43.5	58%	0.575	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-72.3	-5.6	176.8	73.6	-88.2	-166.5	0	0	114.8	K252	K252-E254 VanDerWaalsContact C-N 3.25Å; K252-E254 HydrophobicContact CB-CG 4.39Å; K252-E254 WeakPolarHBondContact CB-OE2 3.41Å; K252-E254 WeakPolarHBondContact CD-OE1 3.26Å; K252-E254 PolarHBondContact O-N 3.39Å
255	A	94.4	Very high	95.4	Very high	5 Å²	5	45 Å²	45	4%	0.041	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-105.5	13.5	-179.3	0	0	0	0	0	112.7	V205 L251 K252 E253 D257 Y258	V205-A255 HydrophobicContact CB-CB 3.95Å; V205-A255 HydrophobicContact CG1-CB 4.48Å; V205-A255 WeakPolarHBondContact O-CB 3.25Å; L251-A255 HydrophobicContact CB-CB 4.42Å; K252-A255 HydrophobicContact CB-CB 4.19Å; K252-A255 WeakPolarHBondContact O-CB 3.38Å; K252-A255 PolarHBondContact O-N 3.36Å; E253-A255 PolarHBondContact O-N 2.95Å; A255-D257 PolarHBondContact O-N 2.96Å; A255-D257 VanDerWaalsContact O-N 3.11Å; A255-Y258 HydrophobicContact CB-CD2 4.03Å; A255-Y258 HydrophobicContact CB-CE2 4.37Å; A255-Y258 WeakPolarHBondContact O-CD2 3.24Å; A255-Y258 PolarHBondContact O-N 3.46Å; A255-Y258 VanDerWaalsContact O-N 3.13Å
256	S	92.2	Very high	95.2	Very high	55 Å²	55	49.5 Å²	49.5	39%	0.385	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.4	-179.9	-62.2	0	0	0	0	113.5	E253 Y258 L259	E253-S256 PolarHBondContact O-N 2.97Å; E253-S256 PolarHBondContact O-OG 3.06Å; S256-Y258 PolarHBondContact O-N 2.95Å; S256-Y258 VanDerWaalsContact O-N 3.16Å; S256-L259 WeakPolarHBondContact O-CB 3.28Å; S256-L259 PolarHBondContact O-N 3.12Å
257	D	94.6	Very high	95	Very high	109 Å²	109	49.1 Å²	49.1	58%	0.583	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27.6	176.7	-61.2	-34	0	0	0	113.1	A255 L259 E260 T263	A255-D257 PolarHBondContact O-N 2.96Å; A255-D257 VanDerWaalsContact O-N 3.11Å; D257-L259 PolarHBondContact O-N 3.21Å; D257-E260 WeakPolarHBondContact O-CB 3.38Å; D257-E260 PolarHBondContact O-N 2.74Å; D257-T263 VanDerWaalsContact O-CB 3.28Å; D257-T263 WeakPolarHBondContact O-CB 3.3Å; D257-T263 WeakPolarHBondContact O-CG2 3.36Å; D257-T263 PolarHBondContact O-OG1 3.48Å; D257-T263 VanDerWaalsContact O-OG1 3.09Å
258	Y	95.5	Very high	94.8	Very high	35 Å²	35	48.4 Å²	48.4	14%	0.137	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-80.2	0.3	177.6	-58	-70.1	0	0	0	113.5	E98 F100 V205 A255 S256 T263 I264 L267	E98-Y258 HydrophobicContact CB-CE1 4.34Å; E98-Y258 PolarHBondContact N-OH 3.16Å; F100-Y258 AromaticContact CE1-CD1 3.65Å; F100-Y258 HydrophobicContact CE1-CD1 3.65Å; F100-Y258 HydrophobicContact CE1-CD2 4.18Å; F100-Y258 AromaticContact CE1-CE1 3.69Å; F100-Y258 HydrophobicContact CE1-CE1 3.69Å; F100-Y258 HydrophobicContact CE1-CE2 4.25Å; F100-Y258 AromaticContact CE1-CG 3.9Å; F100-Y258 HydrophobicContact CE1-CG 3.9Å; F100-Y258 HydrophobicContact CZ-CD1 4.02Å; F100-Y258 HydrophobicContact CZ-CG 4.05Å; V205-Y258 HydrophobicContact CB-CD2 4.31Å; V205-Y258 HydrophobicContact CB-CE2 4.28Å; V205-Y258 HydrophobicContact CG1-CD2 4Å; V205-Y258 HydrophobicContact CG1-CE2 3.5Å; A255-Y258 HydrophobicContact CB-CD2 4.03Å; A255-Y258 HydrophobicContact CB-CE2 4.37Å; A255-Y258 WeakPolarHBondContact O-CD2 3.24Å; A255-Y258 PolarHBondContact O-N 3.46Å; A255-Y258 VanDerWaalsContact O-N 3.13Å; S256-Y258 PolarHBondContact O-N 2.95Å; S256-Y258 VanDerWaalsContact O-N 3.16Å; Y258-T263 HydrophobicContact CD1-CG2 4Å; Y258-T263 HydrophobicContact CE1-CG2 4.42Å; Y258-I264 WeakPolarHBondContact O-CD1 3.44Å; Y258-I264 WeakPolarHBondContact O-CG1 3.46Å; Y258-L267 HydrophobicContact CD1-CD1 3.63Å; Y258-L267 HydrophobicContact CE1-CD1 3.62Å
259	L	94.3	Very high	94.4	Very high	9 Å²	9	52 Å²	52	5%	0.047	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-88.6	-16.1	166.9	-63.1	169.5	0	0	0	112.1	K140 N143 L144 L251 S256 D257	K140-L259 HydrophobicContact CG-CB 4.46Å; K140-L259 HydrophobicContact CG-CD1 4.34Å; N143-L259 WeakPolarHBondContact OD1-CD1 3.49Å; L144-L259 WeakPolarHBondContact O-CD2 3.44Å; L251-L259 HydrophobicContact CD1-CD1 4.39Å; L251-L259 HydrophobicContact CD1-CD2 3.61Å; L251-L259 HydrophobicContact CD1-CG 3.67Å; S256-L259 WeakPolarHBondContact O-CB 3.28Å; S256-L259 PolarHBondContact O-N 3.12Å; D257-L259 PolarHBondContact O-N 3.21Å
260	E	94.3	Very high	93.9	Very high	83 Å²	83	55.7 Å²	55.7	39%	0.388	28%	0.28	S	S	.	.	S	Bend	trans	-73.4	129.6	175.1	-60.4	-56	143.3	0	0	110.4	K140 D257 D262 T263 I264	K140-E260 IonicContact NZ-OE1 3.66Å; K140-E260 PolarHBondContact NZ-OE1 2.91Å; K140-E260 IonicContact NZ-OE2 3.33Å; D257-E260 WeakPolarHBondContact O-CB 3.38Å; D257-E260 PolarHBondContact O-N 2.74Å; E260-D262 PolarHBondContact O-N 3.18Å; E260-T263 WeakPolarHBondContact O-CB 3.27Å; E260-T263 PolarHBondContact O-N 3.43Å; E260-I264 PolarHBondContact O-N 3.17Å
261	L	92.9	Very high	93.5	Very high	38 Å²	38	54.2 Å²	54.2	20%	0.199	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-44.3	-173.7	-76.4	111.3	0	0	0	112.5	T263 I264 K265 W282 W331	L261-T263 VanDerWaalsContact C-N 3.27Å; L261-T263 PolarHBondContact O-N 3.22Å; L261-I264 PolarHBondContact O-N 3.09Å; L261-K265 WeakPolarHBondContact O-CG 3.36Å; L261-K265 PolarHBondContact O-N 3.2Å; L261-W282 VanDerWaalsContact CD2-O 3.27Å; L261-W282 WeakPolarHBondContact CD2-O 3.46Å; L261-W331 HydrophobicContact CD1-CH2 3.99Å; L261-W331 HydrophobicContact CD1-CZ3 4.31Å; L261-W331 HydrophobicContact CD2-CH2 4.42Å; L261-W331 HydrophobicContact CD2-CZ3 3.93Å
262	D	93.6	Very high	93.1	Very high	112 Å²	112	54.2 Å²	54.2	60%	0.599	27%	0.27	S	S	*	.	H	α-helix	trans	-64.2	-34.8	-178.1	-69.7	-31.2	0	0	0	111.9	E260 K265 N266	E260-D262 PolarHBondContact O-N 3.18Å; D262-K265 PolarHBondContact O-N 3.17Å; D262-N266 VanDerWaalsContact O-CB 3.3Å; D262-N266 WeakPolarHBondContact O-CB 3.44Å; D262-N266 PolarHBondContact O-N 3.11Å; D262-N266 PolarHBondContact O-ND2 3.32Å
263	T	95.2	Very high	92.6	Very high	45 Å²	45	53.6 Å²	53.6	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-52.2	173.5	-54.6	0	0	0	0	110.2	D257 Y258 E260 L261 K265 N266 L267	D257-T263 VanDerWaalsContact O-CB 3.28Å; D257-T263 WeakPolarHBondContact O-CB 3.3Å; D257-T263 WeakPolarHBondContact O-CG2 3.36Å; D257-T263 PolarHBondContact O-OG1 3.48Å; D257-T263 VanDerWaalsContact O-OG1 3.09Å; Y258-T263 HydrophobicContact CD1-CG2 4Å; Y258-T263 HydrophobicContact CE1-CG2 4.42Å; E260-T263 WeakPolarHBondContact O-CB 3.27Å; E260-T263 PolarHBondContact O-N 3.43Å; L261-T263 VanDerWaalsContact C-N 3.27Å; L261-T263 PolarHBondContact O-N 3.22Å; T263-K265 PolarHBondContact O-N 3.22Å; T263-N266 PolarHBondContact O-N 3.5Å; T263-L267 HydrophobicContact CG2-CD1 4.12Å; T263-L267 VanDerWaalsContact O-CG 3.26Å; T263-L267 WeakPolarHBondContact O-CG 3.33Å; T263-L267 PolarHBondContact O-N 2.84Å
264	I	95.4	Very high	92.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-44.8	178.7	-66.1	-59.4	0	0	0	111.5	L101 I136 L145 Y258 E260 L261 N266 L267 V268 V281	L101-I264 HydrophobicContact CD2-CD1 4.05Å; L101-I264 HydrophobicContact CD2-CG2 4.37Å; I136-I264 HydrophobicContact CG2-CG2 3.92Å; L145-I264 HydrophobicContact CD1-CD1 4.31Å; L145-I264 HydrophobicContact CD2-CD1 3.95Å; Y258-I264 WeakPolarHBondContact O-CD1 3.44Å; Y258-I264 WeakPolarHBondContact O-CG1 3.46Å; E260-I264 PolarHBondContact O-N 3.17Å; L261-I264 PolarHBondContact O-N 3.09Å; I264-N266 VanDerWaalsContact C-N 3.31Å; I264-N266 PolarHBondContact O-N 2.83Å; I264-L267 PolarHBondContact O-N 2.92Å; I264-V268 HydrophobicContact CG2-CG2 4.34Å; I264-V268 WeakPolarHBondContact O-CG2 3.41Å; I264-V268 PolarHBondContact O-N 3.24Å; I264-V281 HydrophobicContact CG2-CG1 4.13Å; I264-V281 HydrophobicContact CG2-CG2 3.99Å
265	K	93.9	Very high	92.1	Very high	30 Å²	30	40.2 Å²	40.2	13%	0.13	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-45.1	177.8	-72.6	-176.7	-172.2	-167.9	0	111.7	L261 D262 T263 K269 S283 E334 M336	L261-K265 WeakPolarHBondContact O-CG 3.36Å; L261-K265 PolarHBondContact O-N 3.2Å; D262-K265 PolarHBondContact O-N 3.17Å; T263-K265 PolarHBondContact O-N 3.22Å; K265-K269 WeakPolarHBondContact O-CB 3.47Å; K265-K269 WeakPolarHBondContact O-CG 3.36Å; K265-K269 PolarHBondContact O-N 3.36Å; K265-S283 WeakPolarHBondContact CE-OG 3.38Å; K265-E334 VanDerWaalsContact CE-OE2 3.27Å; K265-E334 WeakPolarHBondContact CE-OE2 3.43Å; K265-E334 IonicContact NZ-OE1 4Å; K265-E334 IonicContact NZ-OE2 3.87Å; K265-E334 PolarHBondContact NZ-OE2 3.36Å; K265-M336 HydrophobicContact CB-CE 3.65Å; K265-M336 HydrophobicContact CB-SD 4.49Å; K265-M336 HydrophobicContact CG-CE 3.78Å; K265-M336 HydrophobicContact CG-SD 3.96Å; K265-M336 WeakPolarHBondContact O-CE 3.32Å
266	N	92.7	Very high	91.7	Very high	103 Å²	103	43.3 Å²	43.3	55%	0.551	22%	0.221	S	C	*	.	H	α-helix	trans	-66.4	-39.2	179	-73	-32	0	0	0	112.2	D262 T263 I264 K269 K270	D262-N266 VanDerWaalsContact O-CB 3.3Å; D262-N266 WeakPolarHBondContact O-CB 3.44Å; D262-N266 PolarHBondContact O-N 3.11Å; D262-N266 PolarHBondContact O-ND2 3.32Å; T263-N266 PolarHBondContact O-N 3.5Å; I264-N266 VanDerWaalsContact C-N 3.31Å; I264-N266 PolarHBondContact O-N 2.83Å; N266-K269 PolarHBondContact O-N 3.17Å; N266-K270 VanDerWaalsContact O-CB 3.24Å; N266-K270 WeakPolarHBondContact O-CB 3.43Å; N266-K270 PolarHBondContact O-N 3.23Å
267	L	93.7	Very high	91.7	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-44.3	177.6	-69.5	174.5	0	0	0	112.6	E98 L101 Y258 T263 I264 K270 Y271	E98-L267 HydrophobicContact CB-CD2 3.65Å; E98-L267 HydrophobicContact CG-CD2 4.15Å; E98-L267 WeakPolarHBondContact OE2-CD2 3.39Å; L101-L267 HydrophobicContact CD2-CB 3.86Å; L101-L267 HydrophobicContact CD2-CD1 4.36Å; Y258-L267 HydrophobicContact CD1-CD1 3.63Å; Y258-L267 HydrophobicContact CE1-CD1 3.62Å; T263-L267 HydrophobicContact CG2-CD1 4.12Å; T263-L267 VanDerWaalsContact O-CG 3.26Å; T263-L267 WeakPolarHBondContact O-CG 3.33Å; T263-L267 PolarHBondContact O-N 2.84Å; I264-L267 PolarHBondContact O-N 2.92Å; L267-K270 PolarHBondContact O-N 3.42Å; L267-Y271 HydrophobicContact CD2-CD2 4.49Å; L267-Y271 HydrophobicContact CD2-CE2 4.16Å; L267-Y271 WeakPolarHBondContact O-CD2 3.28Å; L267-Y271 PolarHBondContact O-N 2.98Å
268	V	93.6	Very high	91.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-46.7	176.2	178.3	0	0	0	0	110.1	L101 I105 I136 I264 K270 S272 Q273 I279 V281 M336	L101-V268 HydrophobicContact CD2-CG2 3.92Å; I105-V268 HydrophobicContact CD1-CG2 4.03Å; I136-V268 HydrophobicContact CD1-CG2 3.68Å; I264-V268 HydrophobicContact CG2-CG2 4.34Å; I264-V268 WeakPolarHBondContact O-CG2 3.41Å; I264-V268 PolarHBondContact O-N 3.24Å; V268-K270 VanDerWaalsContact C-N 3.28Å; V268-K270 PolarHBondContact O-N 3.2Å; V268-S272 CarbonylContact O-C 3.59Å; V268-S272 WeakPolarHBondContact O-CA 3.48Å; V268-S272 WeakPolarHBondContact O-CB 3.37Å; V268-S272 PolarHBondContact O-N 2.88Å; V268-Q273 PolarHBondContact O-N 3.21Å; V268-I279 HydrophobicContact CG1-CB 4.36Å; V268-I279 HydrophobicContact CG1-CD1 4.19Å; V268-I279 HydrophobicContact CG1-CG2 3.83Å; V268-V281 HydrophobicContact CG2-CG2 4.39Å; V268-M336 HydrophobicContact CB-CB 4.35Å; V268-M336 HydrophobicContact CG1-CB 3.55Å; V268-M336 HydrophobicContact CG1-CG 4.09Å
269	K	90.1	Very high	91.8	Very high	92 Å²	92	36.6 Å²	36.6	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-30.3	176.5	-76.3	177.2	174.6	174.8	0	113.3	K265 N266 Q273 M336	K265-K269 WeakPolarHBondContact O-CB 3.47Å; K265-K269 WeakPolarHBondContact O-CG 3.36Å; K265-K269 PolarHBondContact O-N 3.36Å; N266-K269 PolarHBondContact O-N 3.17Å; K269-Q273 WeakPolarHBondContact O-CB 3.47Å; K269-Q273 PolarHBondContact O-OE1 3.42Å; K269-M336 HydrophobicContact CD-CE 4.04Å; K269-M336 HydrophobicContact CG-CE 3.85Å
270	K	88.3	Confident	91.9	Very high	76 Å²	76	39 Å²	39	33%	0.33	20%	0.195	S	C	.	.	H	α-helix	trans	-74.6	-49.3	178.5	179.7	174.9	171	-170.9	0	111.9	E98 N266 L267 V268 F417	E98-K270 IonicContact OE1-NZ 2.9Å; E98-K270 PolarHBondContact OE1-NZ 2.93Å; E98-K270 IonicContact OE2-NZ 3.44Å; E98-K270 PolarHBondContact OE2-NZ 2.81Å; N266-K270 VanDerWaalsContact O-CB 3.24Å; N266-K270 WeakPolarHBondContact O-CB 3.43Å; N266-K270 PolarHBondContact O-N 3.23Å; L267-K270 PolarHBondContact O-N 3.42Å; V268-K270 VanDerWaalsContact C-N 3.28Å; V268-K270 PolarHBondContact O-N 3.2Å; K270-F417 HydrophobicContact CG-CD1 4.47Å; K270-F417 WeakPolarHBondContact O-CB 3.42Å
271	Y	89.6	Confident	92	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.043	18%	0.176	C	C	.	.	H	α-helix	trans	-101.6	-31.1	-167.7	-69.7	-70.9	0	0	0	115.3	E98 R102 L267 F417	E98-Y271 HydrophobicContact CG-CE2 3.84Å; E98-Y271 WeakPolarHBondContact CG-OH 3.23Å; E98-Y271 PolarHBondContact OE1-OH 3.19Å; R102-Y271 HydrophobicContact CB-CD1 4.29Å; R102-Y271 HydrophobicContact CB-CD2 4.5Å; R102-Y271 HydrophobicContact CB-CG 3.98Å; R102-Y271 HydrophobicContact CG-CD1 4.21Å; R102-Y271 HydrophobicContact CG-CG 4.24Å; L267-Y271 HydrophobicContact CD2-CD2 4.49Å; L267-Y271 HydrophobicContact CD2-CE2 4.16Å; L267-Y271 WeakPolarHBondContact O-CD2 3.28Å; L267-Y271 PolarHBondContact O-N 2.98Å; Y271-F417 HydrophobicContact CD1-CB 4.32Å; Y271-F417 AromaticContact CD1-CD1 3.76Å; Y271-F417 HydrophobicContact CD1-CD1 3.76Å; Y271-F417 AromaticContact CE1-CD1 3.79Å; Y271-F417 HydrophobicContact CE1-CD1 3.79Å; Y271-F417 HydrophobicContact CE1-CE1 4.34Å; Y271-F417 PolarHBondContact O-N 2.77Å
272	S	88.4	Confident	92.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	18%	0.178	C	C	.	.	S	Bend	trans	-123	15.1	-163	-62.1	0	0	0	0	113.3	V268 F274 I275	V268-S272 CarbonylContact O-C 3.59Å; V268-S272 WeakPolarHBondContact O-CA 3.48Å; V268-S272 WeakPolarHBondContact O-CB 3.37Å; V268-S272 PolarHBondContact O-N 2.88Å; S272-F274 PolarHBondContact O-N 2.9Å; S272-F274 VanDerWaalsContact O-N 3.15Å; S272-I275 PolarHBondContact O-N 3.37Å
273	Q	86	Confident	92	Very high	20 Å²	20	31.1 Å²	31.1	9%	0.093	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.4	-175.7	-172.8	171.3	24.1	0	0	114.2	V268 K269 N337	V268-Q273 PolarHBondContact O-N 3.21Å; K269-Q273 WeakPolarHBondContact O-CB 3.47Å; K269-Q273 PolarHBondContact O-OE1 3.42Å; Q273-N337 WeakPolarHBondContact O-CB 3.44Å
274	F	88.3	Confident	91.7	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	14.1	-173	-58	-62.6	0	0	0	113.7	S272 I339 P341 W343 F358 F362 Y412 R415	S272-F274 PolarHBondContact O-N 2.9Å; S272-F274 VanDerWaalsContact O-N 3.15Å; F274-I339 HydrophobicContact CE1-CB 3.99Å; F274-I339 HydrophobicContact CE1-CG2 3.79Å; F274-P341 HydrophobicContact CB-CB 4.38Å; F274-P341 HydrophobicContact CD1-CB 4.35Å; F274-W343 HydrophobicContact CB-CH2 3.99Å; F274-W343 HydrophobicContact CB-CZ2 4.17Å; F274-W343 AromaticContact CD1-CH2 3.56Å; F274-W343 HydrophobicContact CD1-CH2 3.56Å; F274-W343 HydrophobicContact CD1-CZ2 4.48Å; F274-W343 HydrophobicContact CD1-CZ3 4.1Å; F274-W343 AromaticContact CD2-CH2 3.48Å; F274-W343 HydrophobicContact CD2-CH2 3.48Å; F274-W343 VanDerWaalsContact CD2-CH2 3.48Å; F274-W343 HydrophobicContact CD2-CZ2 4.23Å; F274-W343 HydrophobicContact CD2-CZ3 4.45Å; F274-W343 AromaticContact CE1-CH2 3.78Å; F274-W343 HydrophobicContact CE1-CH2 3.78Å; F274-W343 AromaticContact CE1-CZ3 3.94Å; F274-W343 HydrophobicContact CE1-CZ3 3.94Å; F274-W343 AromaticContact CE2-CH2 3.68Å; F274-W343 HydrophobicContact CE2-CH2 3.68Å; F274-W343 HydrophobicContact CE2-CZ3 4.28Å; F274-W343 AromaticContact CG-CH2 3.39Å; F274-W343 HydrophobicContact CG-CH2 3.39Å; F274-W343 HydrophobicContact CG-CZ2 4.05Å; F274-W343 HydrophobicContact CG-CZ3 4.34Å; F274-W343 AromaticContact CZ-CH2 3.83Å; F274-W343 HydrophobicContact CZ-CH2 3.83Å; F274-W343 HydrophobicContact CZ-CZ3 4.02Å; F274-F358 AromaticContact CE1-CE2 3.8Å; F274-F358 HydrophobicContact CE1-CE2 3.8Å; F274-F358 AromaticContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CZ 4.2Å; F274-F362 HydrophobicContact CZ-CD2 4.22Å; F274-Y412 HydrophobicContact CD2-CD1 4.16Å; F274-Y412 AromaticContact CD2-CE1 3.55Å; F274-Y412 HydrophobicContact CD2-CE1 3.55Å; F274-Y412 HydrophobicContact CD2-CE2 4.35Å; F274-Y412 AromaticContact CD2-CZ 3.69Å; F274-Y412 AromaticContact CE2-CE1 3.98Å; F274-Y412 HydrophobicContact CE2-CE1 3.98Å; F274-Y412 HydrophobicContact CE2-CE2 4.15Å; F274-Y412 AromaticContact CE2-CZ 3.6Å; F274-Y412 WeakPolarHBondContact CE2-OH 3.46Å; F274-R415 HydrophobicContact CB-CB 4.15Å; F274-R415 WeakPolarHBondContact O-CB 3.45Å; F274-R415 WeakPolarHBondContact O-CD 3.38Å
275	I	88.1	Confident	90.8	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.046	18%	0.182	C	C	.	.			trans	-64.4	138.2	169.6	-66.5	-177.5	0	0	0	108.5	I105 S109 S272 F277 I279 N337	I105-I275 HydrophobicContact CB-CD1 4.38Å; I105-I275 HydrophobicContact CG2-CD1 3.43Å; I105-I275 VanDerWaalsContact CG2-CD1 3.43Å; S109-I275 WeakPolarHBondContact OG-CG2 3.37Å; S272-I275 PolarHBondContact O-N 3.37Å; I275-F277 PolarHBondContact O-N 2.81Å; I275-I279 HydrophobicContact CB-CD1 4.22Å; I275-I279 HydrophobicContact CD1-CD1 4.47Å; I275-N337 PolarHBondContact O-ND2 3.18Å
276	N	85.8	Confident	90	Very high	70 Å²	70	40.3 Å²	40.3	37%	0.374	20%	0.201	S	C	.	.	S	Bend	trans	-73.6	-10.1	-165.6	-156.8	25.6	0	0	0	114.2	R116 E190 R415	R116-N276 PolarHBondContact NH1-ND2 2.78Å; E190-N276 PolarHBondContact OE1-ND2 2.96Å; E190-N276 PolarHBondContact OE2-ND2 2.76Å; N276-R415 PolarHBondContact OD1-NH1 3.39Å
277	F	92.1	Very high	89.2	Confident	11 Å²	11	39.2 Å²	39.2	5%	0.048	19%	0.192	C	C	.	.	S	Bend	trans	-109.2	142.5	-177.8	-63.1	-76.6	0	0	0	111.5	L112 D113 L132 I275 I279 N337	L112-F277 HydrophobicContact CB-CD1 3.99Å; L112-F277 HydrophobicContact CB-CD2 3.72Å; L112-F277 HydrophobicContact CB-CE1 3.82Å; L112-F277 HydrophobicContact CB-CE2 3.54Å; L112-F277 HydrophobicContact CB-CG 3.94Å; L112-F277 HydrophobicContact CB-CZ 3.59Å; L112-F277 HydrophobicContact CD1-CB 3.65Å; L112-F277 HydrophobicContact CD1-CD1 4.05Å; L112-F277 HydrophobicContact CD1-CD2 3.87Å; L112-F277 HydrophobicContact CD1-CG 3.58Å; L112-F277 HydrophobicContact CG-CD2 4.45Å; L112-F277 HydrophobicContact CG-CG 4.36Å; D113-F277 HydrophobicContact CB-CE2 4.45Å; D113-F277 VanDerWaalsContact OD1-CE2 3.28Å; D113-F277 WeakPolarHBondContact OD1-CE2 3.27Å; D113-F277 WeakPolarHBondContact OD1-CZ 3.25Å; L132-F277 HydrophobicContact CB-CD1 3.96Å; L132-F277 HydrophobicContact CB-CE1 4.1Å; L132-F277 HydrophobicContact CD1-CE1 4.09Å; I275-F277 PolarHBondContact O-N 2.81Å; F277-I279 PolarHBondContact O-N 2.9Å; F277-N337 PolarHBondContact O-ND2 2.67Å
278	P	95.1	Very high	88.1	Confident	46 Å²	46	42.8 Å²	42.8	30%	0.299	21%	0.214	S	C	.	.			trans	-56.4	126.2	177	-26.3	35.2	0	0	0	112.9	T133 V134 Y280 L335	T133-P278 HydrophobicContact CG2-CB 4.25Å; T133-P278 HydrophobicContact CG2-CG 4.49Å; V134-P278 PolarHBondContact N-O 3.31Å; P278-Y280 HydrophobicContact CB-CD2 4.33Å; P278-Y280 HydrophobicContact CB-CE2 3.5Å; P278-L335 HydrophobicContact CB-CD1 3.85Å
279	I	96.5	Very high	87.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.7	175.5	-55	169.4	0	0	0	108.2	I105 V134 I136 V268 I275 F277 M336 N337	I105-I279 HydrophobicContact CG2-CD1 3.67Å; I105-I279 HydrophobicContact CG2-CG1 4.37Å; V134-I279 HydrophobicContact CB-CG1 4.31Å; V134-I279 CarbonylContact O-C 3.55Å; V134-I279 WeakPolarHBondContact O-CA 3.49Å; I136-I279 HydrophobicContact CD1-CG2 3.95Å; V268-I279 HydrophobicContact CG1-CB 4.36Å; V268-I279 HydrophobicContact CG1-CD1 4.19Å; V268-I279 HydrophobicContact CG1-CG2 3.83Å; I275-I279 HydrophobicContact CB-CD1 4.22Å; I275-I279 HydrophobicContact CD1-CD1 4.47Å; F277-I279 PolarHBondContact O-N 2.9Å; I279-M336 WeakPolarHBondContact O-CB 3.38Å; I279-M336 PolarHBondContact O-N 3.29Å; I279-N337 PolarHBondContact N-OD1 3.03Å
280	Y	97.2	Very high	85.9	Confident	61 Å²	61	46.4 Å²	46.4	24%	0.239	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.6	178.4	-60	-85.9	0	0	0	111.8	T133 V134 K135 I136 P278 W333 E334 L335	T133-Y280 HydrophobicContact CG2-CD2 4.47Å; T133-Y280 HydrophobicContact CG2-CE2 3.79Å; V134-Y280 PolarHBondContact O-N 3.2Å; K135-Y280 CarbonylContact C-O 3.48Å; K135-Y280 WeakPolarHBondContact CA-O 3.41Å; K135-Y280 HydrophobicContact CG-CD2 4.24Å; I136-Y280 PolarHBondContact N-O 2.96Å; P278-Y280 HydrophobicContact CB-CD2 4.33Å; P278-Y280 HydrophobicContact CB-CE2 3.5Å; Y280-W333 HydrophobicContact CD1-CB 3.94Å; Y280-W333 HydrophobicContact CG-CB 4.15Å; Y280-E334 CarbonylContact C-O 3.6Å; Y280-E334 VanDerWaalsContact CA-O 3.24Å; Y280-E334 WeakPolarHBondContact CA-O 3.39Å; Y280-L335 HydrophobicContact CD1-CB 4.19Å; Y280-L335 HydrophobicContact CD1-CD1 4.36Å; Y280-L335 HydrophobicContact CE1-CB 3.95Å; Y280-L335 HydrophobicContact CE1-CD1 3.95Å
281	V	96.8	Very high	84.9	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.7	170.9	176.3	0	0	0	0	108.9	I136 I264 V268 S283 E334 M336	I136-V281 HydrophobicContact CB-CG2 4.19Å; I136-V281 HydrophobicContact CD1-CG2 4.3Å; I136-V281 WeakPolarHBondContact O-CA 3.29Å; I264-V281 HydrophobicContact CG2-CG1 4.13Å; I264-V281 HydrophobicContact CG2-CG2 3.99Å; V268-V281 HydrophobicContact CG2-CG2 4.39Å; V281-S283 PolarHBondContact O-N 3.29Å; V281-S283 PolarHBondContact O-OG 2.64Å; V281-E334 PolarHBondContact N-O 3.3Å; V281-E334 PolarHBondContact O-N 3.21Å; V281-M336 HydrophobicContact CB-CG 4.04Å; V281-M336 HydrophobicContact CB-SD 4.08Å; V281-M336 HydrophobicContact CG2-CG 3.44Å; V281-M336 VanDerWaalsContact CG2-CG 3.44Å; V281-M336 HydrophobicContact CG2-SD 3.94Å
282	W	96.1	Very high	83.2	Confident	62 Å²	62	51.3 Å²	51.3	24%	0.235	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	104.9	175.4	-171.2	-108.2	0	0	0	109.8	I136 K137 L261 W331 W333	I136-W282 PolarHBondContact O-N 3.07Å; K137-W282 HydrophobicContact CB-CB 4.11Å; K137-W282 HydrophobicContact CD-CG 4.36Å; K137-W282 HydrophobicContact CG-CB 4.05Å; K137-W282 HydrophobicContact CG-CG 4.23Å; L261-W282 VanDerWaalsContact CD2-O 3.27Å; L261-W282 WeakPolarHBondContact CD2-O 3.46Å; W282-W331 AromaticContact CD1-CE3 3.45Å; W282-W331 VanDerWaalsContact CD1-CE3 3.45Å; W282-W331 AromaticContact CD1-CZ3 3.94Å; W282-W331 HydrophobicContact CG-CE3 4.29Å; W282-W331 HydrophobicContact CH2-CB 4.2Å; W282-W331 WeakPolarHBondContact CH2-O 3.1Å; W282-W331 HydrophobicContact CZ2-CB 3.42Å; W282-W331 VanDerWaalsContact CZ2-CB 3.42Å; W282-W331 AromaticContact NE1-CD2 3.89Å; W282-W331 AromaticContact NE1-CE3 3.45Å; W282-W333 HydrophobicContact CB-CE3 4.11Å; W282-W333 HydrophobicContact CB-CH2 4.09Å; W282-W333 HydrophobicContact CB-CZ3 3.8Å; W282-W333 AromaticContact CE3-CD1 3.8Å; W282-W333 AromaticContact CE3-CD2 3.6Å; W282-W333 HydrophobicContact CE3-CD2 3.6Å; W282-W333 AromaticContact CE3-CE2 3.47Å; W282-W333 VanDerWaalsContact CE3-CE2 3.47Å; W282-W333 HydrophobicContact CE3-CE3 4.15Å; W282-W333 AromaticContact CE3-CG 3.83Å; W282-W333 HydrophobicContact CE3-CG 3.83Å; W282-W333 HydrophobicContact CE3-CH2 4.47Å; W282-W333 AromaticContact CE3-CZ2 3.94Å; W282-W333 HydrophobicContact CE3-CZ2 3.94Å; W282-W333 AromaticContact CE3-NE1 3.59Å; W282-W333 AromaticContact CZ3-CD1 3.58Å; W282-W333 HydrophobicContact CZ3-CD2 4.2Å; W282-W333 AromaticContact CZ3-CE2 3.9Å; W282-W333 HydrophobicContact CZ3-CG 4.03Å; W282-W333 AromaticContact CZ3-NE1 3.49Å
283	S	90.4	Very high	81.6	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.028	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.2	-168.1	-58.6	0	0	0	0	112	K265 V281 W331 D332 E334	K265-S283 WeakPolarHBondContact CE-OG 3.38Å; V281-S283 PolarHBondContact O-N 3.29Å; V281-S283 PolarHBondContact O-OG 2.64Å; S283-W331 WeakPolarHBondContact O-CA 3.28Å; S283-D332 PolarHBondContact N-O 2.83Å; S283-D332 PolarHBondContact O-N 3.23Å; S283-E334 WeakPolarHBondContact CB-OE2 3.33Å; S283-E334 PolarHBondContact OG-OE2 2.87Å
284	S	87	Confident	80.2	Confident	50 Å²	50	59.6 Å²	59.6	35%	0.35	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.6	171.9	49.6	0	0	0	0	111.3	T329 V330	S284-T329 VanDerWaalsContact CB-CG2 3.48Å; S284-V330 CarbonylContact C-O 3.59Å; S284-V330 WeakPolarHBondContact CA-O 3.38Å
285	K	78.1	Confident	78.6	Confident	131 Å²	131	68.1 Å²	68.1	57%	0.57	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.2	170.7	-173.5	-177.3	170.7	-148.9	0	108.9	E287 V330	K285-E287 HydrophobicContact CD-CG 4.31Å; K285-E287 HydrophobicContact CG-CG 4.31Å; K285-E287 IonicContact NZ-OE1 3.77Å; K285-E287 PolarHBondContact NZ-OE1 3.37Å; K285-V330 PolarHBondContact N-O 2.9Å; K285-V330 PolarHBondContact O-N 2.81Å
286	T	77.1	Confident	77	Confident	87 Å²	87	75.2 Å²	75.2	53%	0.534	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.6	172.9	-49.7	0	0	0	0	108.5	E327	T286-E327 HydrophobicContact CG2-CB 3.8Å; T286-E327 HydrophobicContact CG2-CG 4.17Å
287	E	74.6	Confident	75.4	Confident	79 Å²	79	76.1 Å²	76.1	37%	0.369	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131	173.9	-61.3	-162.7	150.1	0	0	109.6	K285 V289 K328 V330	K285-E287 HydrophobicContact CD-CG 4.31Å; K285-E287 HydrophobicContact CG-CG 4.31Å; K285-E287 IonicContact NZ-OE1 3.77Å; K285-E287 PolarHBondContact NZ-OE1 3.37Å; E287-V289 PolarHBondContact O-N 3.05Å; E287-K328 PolarHBondContact N-O 2.97Å; E287-K328 PolarHBondContact O-N 3.27Å; E287-V330 HydrophobicContact CB-CG2 4.39Å; E287-V330 HydrophobicContact CG-CG2 4.37Å
288	T	72	Confident	73.4	Confident	86 Å²	86	76.9 Å²	76.9	53%	0.528	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.4	174.5	-44.3	0	0	0	0	108.5	K325	T288-K325 HydrophobicContact CG2-CB 3.65Å; T288-K325 HydrophobicContact CG2-CD 4.21Å; T288-K325 HydrophobicContact CG2-CG 4.05Å
289	V	72.4	Confident	71.5	Confident	55 Å²	55	77.2 Å²	77.2	33%	0.333	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.2	177.5	-176.4	0	0	0	0	108.7	E287 E291 V326 K328	E287-V289 PolarHBondContact O-N 3.05Å; V289-E291 HydrophobicContact CG1-CG 4.37Å; V289-E291 PolarHBondContact O-N 3.31Å; V289-V326 PolarHBondContact N-O 3.07Å; V289-V326 PolarHBondContact O-N 3.15Å; V289-K328 HydrophobicContact CG2-CB 4.42Å
290	E	64.2	Low	69.4	Low	114 Å²	114	85 Å²	85	53%	0.533	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105.7	171.8	-75.5	-177.5	174.6	0	0	109	T323 K325	E290-T323 HydrophobicContact CB-CG2 4.35Å; E290-K325 HydrophobicContact CG-CG 3.97Å; E290-K325 WeakPolarHBondContact OE1-CE 3.35Å
291	E	66.4	Low	67.2	Low	87 Å²	87	87.9 Å²	87.9	41%	0.407	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.9	174.5	-69.7	-173.1	166.9	0	0	110	V289 M293 T323 K324 V326	V289-E291 HydrophobicContact CG1-CG 4.37Å; V289-E291 PolarHBondContact O-N 3.31Å; E291-M293 PolarHBondContact O-N 3.18Å; E291-T323 CarbonylContact O-C 3.55Å; E291-T323 WeakPolarHBondContact O-CA 3.45Å; E291-K324 PolarHBondContact N-O 2.94Å; E291-K324 PolarHBondContact O-N 3.24Å; E291-V326 HydrophobicContact CB-CG2 4.47Å
292	P	55.5	Low	65	Low	103 Å²	103	94.4 Å²	94.4	67%	0.669	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.6	173.8	-10	23	0	0	0	110	E294	P292-E294 PolarHBondContact O-N 3.36Å
293	M	53.9	Low	62.8	Low	38 Å²	38	100.2 Å²	100.2	19%	0.187	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-64.3	134.6	174	-73.7	173.9	66.7	0	0	110.7	E291 E297 A298 K322 K324	E291-M293 PolarHBondContact O-N 3.18Å; M293-E297 HydrophobicContact CE-CB 3.8Å; M293-A298 HydrophobicContact CE-CB 4.46Å; M293-K322 PolarHBondContact N-O 2.92Å; M293-K322 HydrophobicContact SD-CB 3.86Å; M293-K324 HydrophobicContact CG-CB 4.03Å
294	E	56.3	Low	60.7	Low	157 Å²	157	108.5 Å²	108.5	73%	0.734	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-62.1	142.2	168.5	-68	-172.7	164.4	0	0	109.9	P292 E296 E297 A298	P292-E294 PolarHBondContact O-N 3.36Å; E294-E296 PolarHBondContact O-N 3.47Å; E294-E297 PolarHBondContact O-N 2.91Å; E294-A298 PolarHBondContact O-N 3.26Å
295	E	54.7	Low	58.7	Low	179 Å²	179	115.5 Å²	115.5	84%	0.836	57%	0.571	S	S	*	*	H	α-helix	trans	-52.9	-27.3	-173.1	-71.5	-179.2	162.3	0	0	113.6	A299	E295-A299 WeakPolarHBondContact O-CB 3.44Å; E295-A299 PolarHBondContact O-N 2.66Å; E295-A299 VanDerWaalsContact O-N 3.17Å
296	E	54.7	Low	56.9	Low	158 Å²	158	114.4 Å²	114.4	74%	0.738	58%	0.58	S	S	*	*	H	α-helix	trans	-73.6	-29.4	177.3	-73.6	-167.3	162.1	0	0	114.7	E294	E294-E296 PolarHBondContact O-N 3.47Å
297	E	52.6	Low	55.1	Low	90 Å²	90	117.3 Å²	117.3	42%	0.421	59%	0.592	S	S	.	*	H	α-helix	trans	-81.5	-38	173.7	-75.7	-162.3	159.5	0	0	110.8	M293 E294 A299 K300 K324	M293-E297 HydrophobicContact CE-CB 3.8Å; E294-E297 PolarHBondContact O-N 2.91Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.14Å; E297-K300 PolarHBondContact O-N 2.82Å; E297-K324 IonicContact OE1-NZ 3.55Å; E297-K324 PolarHBondContact OE1-NZ 3.42Å; E297-K324 IonicContact OE2-NZ 3.42Å; E297-K324 PolarHBondContact OE2-NZ 3.44Å
298	A	50.8	Low	53.5	Low	27 Å²	27	121.7 Å²	121.7	22%	0.223	62%	0.618	C	S	.	*	H	α-helix	trans	-62.5	-36.7	177.4	0	0	0	0	0	112.3	M293 E294 K300	M293-A298 HydrophobicContact CE-CB 4.46Å; E294-A298 PolarHBondContact O-N 3.26Å; A298-K300 VanDerWaalsContact C-N 3.32Å; A298-K300 PolarHBondContact O-N 2.51Å
299	A	54.4	Low	52.1	Low	52 Å²	52	126.7 Å²	126.7	43%	0.43	64%	0.636	S	S	.	*	H	α-helix	trans	-74.3	-14.6	179.5	0	0	0	0	0	114.8	E295 E297	E295-A299 WeakPolarHBondContact O-CB 3.44Å; E295-A299 PolarHBondContact O-N 2.66Å; E295-A299 VanDerWaalsContact O-N 3.17Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.14Å
300	K	52.9	Low	50.6	Low	165 Å²	165	128.6 Å²	128.6	72%	0.717	66%	0.657	S	S	*	*	H	α-helix	trans	-84.8	-30.4	177.1	-80.9	177.4	-178.3	166.7	0	112.8	E297 A298	E297-K300 PolarHBondContact O-N 2.82Å; A298-K300 VanDerWaalsContact C-N 3.32Å; A298-K300 PolarHBondContact O-N 2.51Å
301	E	50	Low	49.4	Very low	120 Å²	120	127.7 Å²	127.7	56%	0.561	67%	0.669	S	S	*	*	H	α-helix	trans	-79.1	-29.7	176.8	-76.1	-173.4	168.1	0	0	113.4	K303 K322	E301-K303 PolarHBondContact O-N 3.42Å; E301-K322 IonicContact OE2-NZ 3.43Å; E301-K322 PolarHBondContact OE2-NZ 3.24Å
302	E	51.8	Low	48.2	Very low	139 Å²	139	130.6 Å²	130.6	65%	0.65	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-4.2	-176.8	-74.3	-170.1	161.8	0	0	114.4
303	K	49.5	Very low	47.4	Very low	184 Å²	184	134.4 Å²	134.4	80%	0.8	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	4.2	-173.2	-89.1	-177.9	177.9	172.7	0	115.9	E301	E301-K303 PolarHBondContact O-N 3.42Å
304	E	46.5	Very low	46.5	Very low	177 Å²	177	141.5 Å²	141.5	83%	0.827	73%	0.734	S	S	*	*	S	Bend	trans	-105.6	2	-171.7	-80.8	-164.1	161.1	0	0	117.5
305	E	44	Very low	45.6	Very low	197 Å²	197	142.8 Å²	142.8	92%	0.921	74%	0.74	S	S	*	*			trans	-127	127.5	175.8	-76.5	-175	157.6	0	0	114.2
306	S	41.6	Very low	44.7	Very low	109 Å²	109	144 Å²	144	76%	0.762	75%	0.746	S	S	*	*			trans	-87.4	149.3	-167.9	52.2	0	0	0	0	114.6
307	D	37.9	Very low	43.8	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	75%	0.751	S	S	*	*			trans	37	111.1	144.3	-70.5	-17.5	0	0	0	118.9
308	D	41.8	Very low	43.2	Very low	171 Å²	171	150 Å²	150	91%	0.914	77%	0.774	S	S	*	*				-159.8	137.4	123.8	-100.6	-27.2	0	0	0	112.9
309	E	41.9	Very low	42.8	Very low	191 Å²	191	158 Å²	158	89%	0.893	80%	0.803	S	S	*	*			trans	-73.8	137	-179.6	-74.5	-176.3	151.2	0	0	112.9
310	A	41.9	Very low	42.6	Very low	94 Å²	94	164.3 Å²	164.3	78%	0.777	82%	0.821	S	S	*	*			trans	75.3	90.4	140.6	0	0	0	0	0	120.1
311	A	39.5	Very low	42.5	Very low	96 Å²	96	161.4 Å²	161.4	79%	0.793	82%	0.819	S	S	*	*				75.4	102.3	112.7	0	0	0	0	0	119.7
312	V	39.7	Very low	42.5	Very low	147 Å²	147	160.2 Å²	160.2	89%	0.891	81%	0.812	S	S	*	*			trans	-135.8	126.4	138.3	-175	0	0	0	0	107.7
313	E	38.9	Very low	42.8	Very low	183 Å²	183	156.6 Å²	156.6	86%	0.855	80%	0.799	S	S	*	*			trans	-66.4	131.1	175.6	-66.3	175.9	150.1	0	0	110.6
314	E	35.5	Very low	43.3	Very low	187 Å²	187	152.5 Å²	152.5	87%	0.874	78%	0.782	S	S	*	*			trans	-174.6	129.6	145.3	-102.5	163.8	-155.3	0	0	111
315	E	36.6	Very low	44.3	Very low	185 Å²	185	151 Å²	151	86%	0.864	77%	0.772	S	S	*	*			trans	62.2	117.3	160.6	-61.6	-173.2	156.5	0	0	121	E317	E315-E317 PolarHBondContact O-N 3.07Å
316	E	36.6	Very low	45.6	Very low	204 Å²	204	144.2 Å²	144.2	95%	0.953	74%	0.744	S	S	*	*			trans	-65.5	92.9	168.3	-73.4	-179.6	150.2	0	0	110.8
317	E	36.4	Very low	47.2	Very low	183 Å²	183	146 Å²	146	86%	0.855	74%	0.741	S	S	*	*			trans	-71.8	120.6	160.4	-81.1	-170.3	151.5	0	0	110.1	E315 K319	E315-E317 PolarHBondContact O-N 3.07Å; E317-K319 PolarHBondContact O-N 2.81Å
318	E	40.1	Very low	49.1	Very low	191 Å²	191	144.6 Å²	144.6	89%	0.893	73%	0.727	S	S	*	*			trans	-56.6	107.1	170.6	-78.3	-177.3	151.4	0	0	110.6	K320	E318-K320 PolarHBondContact O-N 3.02Å
319	K	41.2	Very low	51.1	Low	194 Å²	194	140.3 Å²	140.3	84%	0.843	71%	0.707	S	S	*	*			trans	-59.2	103.8	169.6	-77.2	-174.2	174.7	-172.6	0	110.2	E317	E317-K319 PolarHBondContact O-N 2.81Å
320	K	49.9	Very low	53.3	Low	186 Å²	186	133.9 Å²	133.9	81%	0.809	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-64.5	137.5	167.4	-76.8	-177.8	178	177.1	0	110.1	E318 K322	E318-K320 PolarHBondContact O-N 3.02Å; K320-K322 PolarHBondContact O-N 3.15Å
321	P	52.1	Low	55.6	Low	103 Å²	103	134.9 Å²	134.9	67%	0.669	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-61.6	135.7	176.2	24.2	-31.3	0	0	0	110.6	T323	P321-T323 PolarHBondContact O-N 3.34Å
322	K	48.9	Very low	58.2	Low	96 Å²	96	135.3 Å²	135.3	42%	0.417	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-66	119	173.8	-73.1	-176.4	173.8	-173.2	0	109.5	M293 E301 K320	M293-K322 PolarHBondContact N-O 2.92Å; M293-K322 HydrophobicContact SD-CB 3.86Å; E301-K322 IonicContact OE2-NZ 3.43Å; E301-K322 PolarHBondContact OE2-NZ 3.24Å; K320-K322 PolarHBondContact O-N 3.15Å
323	T	58.5	Low	60.8	Low	62 Å²	62	132.1 Å²	132.1	38%	0.38	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	138.4	177.1	50	0	0	0	0	110.8	E290 E291 P321	E290-T323 HydrophobicContact CB-CG2 4.35Å; E291-T323 CarbonylContact O-C 3.55Å; E291-T323 WeakPolarHBondContact O-CA 3.45Å; P321-T323 PolarHBondContact O-N 3.34Å
324	K	60.7	Low	63.5	Low	99 Å²	99	126.9 Å²	126.9	43%	0.43	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	130.9	173.6	-167.7	175	-171.4	172.7	0	108.8	E291 M293 E297 V326	E291-K324 PolarHBondContact N-O 2.94Å; E291-K324 PolarHBondContact O-N 3.24Å; M293-K324 HydrophobicContact CG-CB 4.03Å; E297-K324 IonicContact OE1-NZ 3.55Å; E297-K324 PolarHBondContact OE1-NZ 3.42Å; E297-K324 IonicContact OE2-NZ 3.42Å; E297-K324 PolarHBondContact OE2-NZ 3.44Å; K324-V326 HydrophobicContact CG-CG2 4.39Å; K324-V326 PolarHBondContact O-N 3.05Å
325	K	66.6	Low	66.2	Low	146 Å²	146	121.4 Å²	121.4	64%	0.635	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77	107.9	173.4	-73.6	-176.6	-178.9	-176.4	0	108.8	T288 E290	T288-K325 HydrophobicContact CG2-CB 3.65Å; T288-K325 HydrophobicContact CG2-CD 4.21Å; T288-K325 HydrophobicContact CG2-CG 4.05Å; E290-K325 HydrophobicContact CG-CG 3.97Å; E290-K325 WeakPolarHBondContact OE1-CE 3.35Å
326	V	71.5	Confident	68.9	Low	53 Å²	53	112.7 Å²	112.7	32%	0.321	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.4	177.1	-176.2	0	0	0	0	108.7	V289 E291 K324 K328	V289-V326 PolarHBondContact N-O 3.07Å; V289-V326 PolarHBondContact O-N 3.15Å; E291-V326 HydrophobicContact CB-CG2 4.47Å; K324-V326 HydrophobicContact CG-CG2 4.39Å; K324-V326 PolarHBondContact O-N 3.05Å; V326-K328 PolarHBondContact O-N 2.99Å
327	E	76.1	Confident	71.4	Confident	148 Å²	148	103.8 Å²	103.8	69%	0.692	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.5	173.4	-68.5	-174.2	172.9	0	0	109.7	T286	T286-E327 HydrophobicContact CG2-CB 3.8Å; T286-E327 HydrophobicContact CG2-CG 4.17Å
328	K	77.4	Confident	73.7	Confident	118 Å²	118	100 Å²	100	51%	0.513	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	178.7	-168.3	173	-175.2	170	0	110.3	E287 V289 V326 V330	E287-K328 PolarHBondContact N-O 2.97Å; E287-K328 PolarHBondContact O-N 3.27Å; V289-K328 HydrophobicContact CG2-CB 4.42Å; V326-K328 PolarHBondContact O-N 2.99Å; K328-V330 PolarHBondContact O-N 2.72Å
329	T	84	Confident	75.6	Confident	80 Å²	80	91.8 Å²	91.8	49%	0.491	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.9	174.2	-53.5	0	0	0	0	109.9	S284	S284-T329 VanDerWaalsContact CB-CG2 3.48Å
330	V	87.7	Confident	77.7	Confident	56 Å²	56	90.2 Å²	90.2	34%	0.339	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.5	174.6	-176.9	0	0	0	0	108.5	S284 K285 E287 K328	S284-V330 CarbonylContact C-O 3.59Å; S284-V330 WeakPolarHBondContact CA-O 3.38Å; K285-V330 PolarHBondContact N-O 2.9Å; K285-V330 PolarHBondContact O-N 2.81Å; E287-V330 HydrophobicContact CB-CG2 4.39Å; E287-V330 HydrophobicContact CG-CG2 4.37Å; K328-V330 PolarHBondContact O-N 2.72Å
331	W	90.6	Very high	79.6	Confident	115 Å²	115	82.2 Å²	82.2	44%	0.436	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.5	175.1	-70.9	81.3	0	0	0	109.9	L261 W282 S283	L261-W331 HydrophobicContact CD1-CH2 3.99Å; L261-W331 HydrophobicContact CD1-CZ3 4.31Å; L261-W331 HydrophobicContact CD2-CH2 4.42Å; L261-W331 HydrophobicContact CD2-CZ3 3.93Å; W282-W331 AromaticContact CD1-CE3 3.45Å; W282-W331 VanDerWaalsContact CD1-CE3 3.45Å; W282-W331 AromaticContact CD1-CZ3 3.94Å; W282-W331 HydrophobicContact CG-CE3 4.29Å; W282-W331 HydrophobicContact CH2-CB 4.2Å; W282-W331 WeakPolarHBondContact CH2-O 3.1Å; W282-W331 HydrophobicContact CZ2-CB 3.42Å; W282-W331 VanDerWaalsContact CZ2-CB 3.42Å; W282-W331 AromaticContact NE1-CD2 3.89Å; W282-W331 AromaticContact NE1-CE3 3.45Å; S283-W331 WeakPolarHBondContact O-CA 3.28Å
332	D	93.3	Very high	81.5	Confident	105 Å²	105	77.7 Å²	77.7	56%	0.561	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.3	170.5	178.3	-159.5	8.3	0	0	0	111.5	S283 E334	S283-D332 PolarHBondContact N-O 2.83Å; S283-D332 PolarHBondContact O-N 3.23Å; D332-E334 PolarHBondContact O-N 3.34Å
333	W	95	Very high	83.6	Confident	81 Å²	81	73.2 Å²	73.2	31%	0.307	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	104.5	176.5	-69.4	107.5	0	0	0	111.1	K135 I136 K137 Y280 W282	K135-W333 HydrophobicContact CB-CE3 4.16Å; K135-W333 HydrophobicContact CB-CH2 3.7Å; K135-W333 HydrophobicContact CB-CZ2 4.3Å; K135-W333 HydrophobicContact CB-CZ3 3.62Å; K135-W333 HydrophobicContact CD-CD2 4.39Å; K135-W333 HydrophobicContact CD-CZ2 4.27Å; K135-W333 HydrophobicContact CG-CD2 4.48Å; K135-W333 HydrophobicContact CG-CE3 4.27Å; K135-W333 HydrophobicContact CG-CH2 4.41Å; K135-W333 HydrophobicContact CG-CZ3 4.22Å; I136-W333 WeakPolarHBondContact O-CZ3 3.44Å; K137-W333 HydrophobicContact CB-CH2 4.12Å; Y280-W333 HydrophobicContact CD1-CB 3.94Å; Y280-W333 HydrophobicContact CG-CB 4.15Å; W282-W333 HydrophobicContact CB-CE3 4.11Å; W282-W333 HydrophobicContact CB-CH2 4.09Å; W282-W333 HydrophobicContact CB-CZ3 3.8Å; W282-W333 AromaticContact CE3-CD1 3.8Å; W282-W333 AromaticContact CE3-CD2 3.6Å; W282-W333 HydrophobicContact CE3-CD2 3.6Å; W282-W333 AromaticContact CE3-CE2 3.47Å; W282-W333 VanDerWaalsContact CE3-CE2 3.47Å; W282-W333 HydrophobicContact CE3-CE3 4.15Å; W282-W333 AromaticContact CE3-CG 3.83Å; W282-W333 HydrophobicContact CE3-CG 3.83Å; W282-W333 HydrophobicContact CE3-CH2 4.47Å; W282-W333 AromaticContact CE3-CZ2 3.94Å; W282-W333 HydrophobicContact CE3-CZ2 3.94Å; W282-W333 AromaticContact CE3-NE1 3.59Å; W282-W333 AromaticContact CZ3-CD1 3.58Å; W282-W333 HydrophobicContact CZ3-CD2 4.2Å; W282-W333 AromaticContact CZ3-CE2 3.9Å; W282-W333 HydrophobicContact CZ3-CG 4.03Å; W282-W333 AromaticContact CZ3-NE1 3.49Å
334	E	94.3	Very high	85.1	Confident	73 Å²	73	72.1 Å²	72.1	34%	0.341	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.9	175.2	-176.2	-177.9	158.9	0	0	110.7	K265 Y280 V281 S283 D332 M336	K265-E334 VanDerWaalsContact CE-OE2 3.27Å; K265-E334 WeakPolarHBondContact CE-OE2 3.43Å; K265-E334 IonicContact NZ-OE1 4Å; K265-E334 IonicContact NZ-OE2 3.87Å; K265-E334 PolarHBondContact NZ-OE2 3.36Å; Y280-E334 CarbonylContact C-O 3.6Å; Y280-E334 VanDerWaalsContact CA-O 3.24Å; Y280-E334 WeakPolarHBondContact CA-O 3.39Å; V281-E334 PolarHBondContact N-O 3.3Å; V281-E334 PolarHBondContact O-N 3.21Å; S283-E334 WeakPolarHBondContact CB-OE2 3.33Å; S283-E334 PolarHBondContact OG-OE2 2.87Å; D332-E334 PolarHBondContact O-N 3.34Å; E334-M336 HydrophobicContact CG-SD 4.38Å
335	L	93.9	Very high	86.6	Confident	72 Å²	72	71.3 Å²	71.3	38%	0.377	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.9	175.2	-179.4	66.9	0	0	0	110.7	P278 Y280 N337 D338	P278-L335 HydrophobicContact CB-CD1 3.85Å; Y280-L335 HydrophobicContact CD1-CB 4.19Å; Y280-L335 HydrophobicContact CD1-CD1 4.36Å; Y280-L335 HydrophobicContact CE1-CB 3.95Å; Y280-L335 HydrophobicContact CE1-CD1 3.95Å; L335-N337 WeakPolarHBondContact CD1-OD1 3.17Å; L335-D338 HydrophobicContact CD2-CB 4.36Å
336	M	92.6	Very high	87.8	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	33%	0.331	C	S	.	.	S	Bend	trans	-98.2	-27.1	-174	-64.1	-54	-51.5	0	0	115	K265 V268 K269 I279 V281 E334	K265-M336 HydrophobicContact CB-CE 3.65Å; K265-M336 HydrophobicContact CB-SD 4.49Å; K265-M336 HydrophobicContact CG-CE 3.78Å; K265-M336 HydrophobicContact CG-SD 3.96Å; K265-M336 WeakPolarHBondContact O-CE 3.32Å; V268-M336 HydrophobicContact CB-CB 4.35Å; V268-M336 HydrophobicContact CG1-CB 3.55Å; V268-M336 HydrophobicContact CG1-CG 4.09Å; K269-M336 HydrophobicContact CD-CE 4.04Å; K269-M336 HydrophobicContact CG-CE 3.85Å; I279-M336 WeakPolarHBondContact O-CB 3.38Å; I279-M336 PolarHBondContact O-N 3.29Å; V281-M336 HydrophobicContact CB-CG 4.04Å; V281-M336 HydrophobicContact CB-SD 4.08Å; V281-M336 HydrophobicContact CG2-CG 3.44Å; V281-M336 VanDerWaalsContact CG2-CG 3.44Å; V281-M336 HydrophobicContact CG2-SD 3.94Å; E334-M336 HydrophobicContact CG-SD 4.38Å
337	N	89.3	Confident	88.8	Confident	18 Å²	18	68.4 Å²	68.4	10%	0.096	34%	0.338	C	S	.	.			trans	-114.3	59.1	-176.4	63.1	-34	0	0	0	111.5	Q273 I275 F277 I279 L335 I339	Q273-N337 WeakPolarHBondContact O-CB 3.44Å; I275-N337 PolarHBondContact O-ND2 3.18Å; F277-N337 PolarHBondContact O-ND2 2.67Å; I279-N337 PolarHBondContact N-OD1 3.03Å; L335-N337 WeakPolarHBondContact CD1-OD1 3.17Å; N337-I339 VanDerWaalsContact C-N 3.31Å
338	D	83.6	Confident	89.6	Confident	104 Å²	104	70.8 Å²	70.8	56%	0.556	35%	0.346	S	S	*	.			trans	-68.9	-26	177.6	62.1	-28.5	0	0	0	113.5	L335 K340	L335-D338 HydrophobicContact CD2-CB 4.36Å; D338-K340 PolarHBondContact O-N 3.13Å
339	I	81.6	Confident	90.3	Very high	17 Å²	17	70.6 Å²	70.6	9%	0.087	35%	0.347	C	S	.	.	S	Bend	trans	-79.1	119.1	179.2	-45.2	-177.8	0	0	0	111.5	F274 N337 F358 S361	F274-I339 HydrophobicContact CE1-CB 3.99Å; F274-I339 HydrophobicContact CE1-CG2 3.79Å; N337-I339 VanDerWaalsContact C-N 3.31Å; I339-F358 HydrophobicContact CG2-CD2 3.54Å; I339-F358 HydrophobicContact CG2-CE2 3.84Å; I339-S361 VanDerWaalsContact CD1-CB 3.48Å; I339-S361 WeakPolarHBondContact CD1-OG 3.32Å; I339-S361 WeakPolarHBondContact CG1-OG 3.34Å
340	K	85.2	Confident	90.7	Very high	162 Å²	162	67.2 Å²	67.2	70%	0.704	33%	0.326	S	S	*	.			trans	-78	142.4	173.3	-62.4	-174.5	-179.4	-179.1	0	111.8	D338 I342	D338-K340 PolarHBondContact O-N 3.13Å; K340-I342 PolarHBondContact O-N 3.49Å
341	P	88.9	Confident	91	Very high	18 Å²	18	70.8 Å²	70.8	12%	0.117	34%	0.339	C	S	.	.			trans	-73.3	85.3	177.9	29.4	-34.3	0	0	0	111.3	F274 W343 Q344	F274-P341 HydrophobicContact CB-CB 4.38Å; F274-P341 HydrophobicContact CD1-CB 4.35Å; P341-W343 HydrophobicContact CB-CD2 4.09Å; P341-W343 HydrophobicContact CB-CE3 4.2Å; P341-W343 HydrophobicContact CB-CH2 3.75Å; P341-W343 HydrophobicContact CB-CZ2 3.55Å; P341-W343 HydrophobicContact CB-CZ3 4.04Å; P341-W343 PolarHBondContact O-N 3.13Å; P341-W343 VanDerWaalsContact O-N 3.15Å; P341-Q344 HydrophobicContact CB-CG 4.17Å; P341-Q344 HydrophobicContact CG-CG 4.38Å; P341-Q344 WeakPolarHBondContact O-CB 3.29Å; P341-Q344 PolarHBondContact O-N 3.38Å; P341-Q344 VanDerWaalsContact O-N 3.09Å
342	I	92.1	Very high	91.1	Very high	8 Å²	8	70.2 Å²	70.2	4%	0.041	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-63.2	-20.4	-175	56.1	158.9	0	0	0	114.1	K340 Q344 R345 V350 Y355 F358 I386	K340-I342 PolarHBondContact O-N 3.49Å; I342-Q344 PolarHBondContact O-N 3.08Å; I342-R345 PolarHBondContact O-N 2.63Å; I342-V350 HydrophobicContact CB-CG1 4.39Å; I342-Y355 HydrophobicContact CD1-CD1 3.59Å; I342-Y355 HydrophobicContact CD1-CE1 3.98Å; I342-Y355 HydrophobicContact CD1-CG 4.35Å; I342-F358 HydrophobicContact CD1-CB 3.51Å; I342-F358 HydrophobicContact CD1-CD1 3.75Å; I342-F358 HydrophobicContact CD1-CD2 4.06Å; I342-F358 HydrophobicContact CD1-CG 3.47Å; I342-F358 VanDerWaalsContact CD1-CG 3.47Å; I342-F358 HydrophobicContact CG1-CB 4.14Å; I342-F358 HydrophobicContact CG1-CD1 4.16Å; I342-F358 HydrophobicContact CG1-CD2 3.76Å; I342-F358 HydrophobicContact CG1-CE2 4.25Å; I342-F358 HydrophobicContact CG1-CG 3.73Å; I342-I386 HydrophobicContact CB-CD1 4.47Å; I342-I386 HydrophobicContact CD1-CD1 3.53Å; I342-I386 HydrophobicContact CG1-CD1 3.5Å; I342-I386 VanDerWaalsContact CG1-CD1 3.5Å
343	W	92.9	Very high	91.1	Very high	1 Å²	1	70.7 Å²	70.7	0%	0.004	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-71.5	-14.9	176	62	89.8	0	0	0	113.6	F274 P341 F358 H374 K384 I386 V436 D438	F274-W343 HydrophobicContact CB-CH2 3.99Å; F274-W343 HydrophobicContact CB-CZ2 4.17Å; F274-W343 AromaticContact CD1-CH2 3.56Å; F274-W343 HydrophobicContact CD1-CH2 3.56Å; F274-W343 HydrophobicContact CD1-CZ2 4.48Å; F274-W343 HydrophobicContact CD1-CZ3 4.1Å; F274-W343 AromaticContact CD2-CH2 3.48Å; F274-W343 HydrophobicContact CD2-CH2 3.48Å; F274-W343 VanDerWaalsContact CD2-CH2 3.48Å; F274-W343 HydrophobicContact CD2-CZ2 4.23Å; F274-W343 HydrophobicContact CD2-CZ3 4.45Å; F274-W343 AromaticContact CE1-CH2 3.78Å; F274-W343 HydrophobicContact CE1-CH2 3.78Å; F274-W343 AromaticContact CE1-CZ3 3.94Å; F274-W343 HydrophobicContact CE1-CZ3 3.94Å; F274-W343 AromaticContact CE2-CH2 3.68Å; F274-W343 HydrophobicContact CE2-CH2 3.68Å; F274-W343 HydrophobicContact CE2-CZ3 4.28Å; F274-W343 AromaticContact CG-CH2 3.39Å; F274-W343 HydrophobicContact CG-CH2 3.39Å; F274-W343 HydrophobicContact CG-CZ2 4.05Å; F274-W343 HydrophobicContact CG-CZ3 4.34Å; F274-W343 AromaticContact CZ-CH2 3.83Å; F274-W343 HydrophobicContact CZ-CH2 3.83Å; F274-W343 HydrophobicContact CZ-CZ3 4.02Å; P341-W343 HydrophobicContact CB-CD2 4.09Å; P341-W343 HydrophobicContact CB-CE3 4.2Å; P341-W343 HydrophobicContact CB-CH2 3.75Å; P341-W343 HydrophobicContact CB-CZ2 3.55Å; P341-W343 HydrophobicContact CB-CZ3 4.04Å; P341-W343 PolarHBondContact O-N 3.13Å; P341-W343 VanDerWaalsContact O-N 3.15Å; W343-F358 HydrophobicContact CE3-CE2 4.26Å; W343-F358 HydrophobicContact CE3-CZ 4.07Å; W343-F358 AromaticContact CZ3-CE2 3.64Å; W343-F358 HydrophobicContact CZ3-CE2 3.64Å; W343-F358 AromaticContact CZ3-CZ 3.57Å; W343-F358 HydrophobicContact CZ3-CZ 3.57Å; W343-H374 WeakPolarHBondContact CA-NE2 3.1Å; W343-H374 PolarHBondContact O-NE2 2.76Å; W343-K384 HydrophobicContact CB-CB 4.46Å; W343-K384 VanDerWaalsContact O-CD 3.23Å; W343-K384 WeakPolarHBondContact O-CD 3.47Å; W343-I386 HydrophobicContact CB-CD1 3.71Å; W343-I386 HydrophobicContact CB-CG1 3.89Å; W343-V436 HydrophobicContact CD2-CG2 4.06Å; W343-V436 HydrophobicContact CE3-CG2 3.59Å; W343-V436 HydrophobicContact CZ3-CB 4.4Å; W343-V436 HydrophobicContact CZ3-CG1 4.3Å; W343-V436 HydrophobicContact CZ3-CG2 3.89Å; W343-D438 HydrophobicContact CZ2-CB 4.45Å; W343-D438 PolarHBondContact NE1-OD2 3.36Å
344	Q	90	Very high	91.1	Very high	39 Å²	39	70 Å²	70	18%	0.182	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-79.1	-25.9	177.5	-70	-67.1	-9.8	0	0	112.1	P341 I342 D438	P341-Q344 HydrophobicContact CB-CG 4.17Å; P341-Q344 HydrophobicContact CG-CG 4.38Å; P341-Q344 WeakPolarHBondContact O-CB 3.29Å; P341-Q344 PolarHBondContact O-N 3.38Å; P341-Q344 VanDerWaalsContact O-N 3.09Å; I342-Q344 PolarHBondContact O-N 3.08Å; Q344-D438 PolarHBondContact NE2-OD2 2.83Å
345	R	91.9	Very high	91.1	Very high	82 Å²	82	66.8 Å²	66.8	31%	0.309	33%	0.329	S	S	.	.	S	Bend	trans	-78.2	145.7	174.6	-73.3	164.5	62.2	-167	-2.4	110.5	I342 S347 E349 V350 E354 H374	I342-R345 PolarHBondContact O-N 2.63Å; R345-S347 PolarHBondContact O-N 3.44Å; R345-E349 PolarHBondContact NH2-O 3.14Å; R345-V350 HydrophobicContact CB-CG2 3.77Å; R345-E354 IonicContact CZ-OE1 2.98Å; R345-E354 IonicContact CZ-OE2 3.86Å; R345-E354 IonicContact NH1-OE1 3.56Å; R345-E354 PolarHBondContact NH1-OE1 2.94Å; R345-E354 IonicContact NH1-OE2 2.95Å; R345-E354 PolarHBondContact NH1-OE2 3.38Å; R345-E354 IonicContact NH2-OE1 3.23Å; R345-E354 IonicContact NH2-OE2 3Å; R345-E354 PolarHBondContact NH2-OE2 3.38Å; R345-H374 PolarHBondContact O-CE1 3.39Å; R345-H374 VanDerWaalsContact O-CE1 3.22Å
346	P	91.9	Very high	91.2	Very high	74 Å²	74	65.3 Å²	65.3	48%	0.481	32%	0.319	S	S	.	.			trans	-54.5	139.2	169.1	-23.2	33.1	0	0	0	111.1	K348 E349	P346-K348 PolarHBondContact O-N 3.25Å; P346-E349 HydrophobicContact CB-CG 4.4Å; P346-E349 PolarHBondContact O-N 3.26Å
347	S	91.8	Very high	91.2	Very high	65 Å²	65	68.2 Å²	68.2	46%	0.455	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-57.8	-23.4	-176.2	59.2	0	0	0	0	114.8	R345 E349	R345-S347 PolarHBondContact O-N 3.44Å; S347-E349 VanDerWaalsContact C-N 3.33Å
348	K	92.7	Very high	91.4	Very high	197 Å²	197	67.6 Å²	67.6	86%	0.857	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-75.7	-18.4	177.6	-62.9	-179.1	-178.3	176	0	114	P346	P346-K348 PolarHBondContact O-N 3.25Å
349	E	93	Very high	91.9	Very high	114 Å²	114	62.8 Å²	62.8	53%	0.533	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-94.8	-8.4	-179.4	-66.8	179.7	-173.2	0	0	112.4	R345 P346 S347	R345-E349 PolarHBondContact NH2-O 3.14Å; P346-E349 HydrophobicContact CB-CG 4.4Å; P346-E349 PolarHBondContact O-N 3.26Å; S347-E349 VanDerWaalsContact C-N 3.33Å
350	V	93	Very high	92.4	Very high	10 Å²	10	65.5 Å²	65.5	6%	0.061	33%	0.325	C	S	.	.	S	Bend	trans	-102.4	120.4	-176.2	-174.7	0	0	0	0	109	I342 R345 E354 Y355	I342-V350 HydrophobicContact CB-CG1 4.39Å; R345-V350 HydrophobicContact CB-CG2 3.77Å; V350-E354 HydrophobicContact CG1-CB 3.81Å; V350-Y355 HydrophobicContact CB-CE2 3.74Å; V350-Y355 HydrophobicContact CG1-CD1 4.42Å; V350-Y355 HydrophobicContact CG1-CD2 3.83Å; V350-Y355 HydrophobicContact CG1-CE1 4.07Å; V350-Y355 HydrophobicContact CG1-CE2 3.44Å; V350-Y355 VanDerWaalsContact CG1-CE2 3.44Å; V350-Y355 HydrophobicContact CG1-CG 4.3Å
351	E	93.6	Very high	92.5	Very high	131 Å²	131	60.3 Å²	60.3	61%	0.612	31%	0.309	S	S	*	.			trans	-78.2	159.4	179.1	-63.2	-60.6	149	0	0	111.9	D353 E354 Y355	E351-D353 VanDerWaalsContact C-N 3.29Å; E351-D353 PolarHBondContact O-N 3.5Å; E351-E354 HydrophobicContact CB-CG 4.45Å; E351-E354 PolarHBondContact N-OE2 3.07Å; E351-E354 WeakPolarHBondContact O-CB 3.33Å; E351-E354 PolarHBondContact O-N 3.33Å; E351-E354 VanDerWaalsContact O-N 3.11Å; E351-Y355 VanDerWaalsContact O-CD2 3.31Å; E351-Y355 WeakPolarHBondContact O-CD2 3.42Å; E351-Y355 PolarHBondContact O-N 3.23Å
352	E	93.3	Very high	92.4	Very high	102 Å²	102	60 Å²	60	48%	0.477	31%	0.306	S	S	.	.	H	α-helix	trans	-58	-40.2	-177.8	-169.2	-178.1	145.8	0	0	112.8	E354 Y355 K356 Y372	E352-E354 VanDerWaalsContact C-N 3.26Å; E352-E354 PolarHBondContact O-N 3.35Å; E352-Y355 PolarHBondContact O-N 3.42Å; E352-Y355 VanDerWaalsContact O-N 3.16Å; E352-K356 HydrophobicContact CG-CD 4.48Å; E352-K356 PolarHBondContact O-N 2.95Å; E352-K356 VanDerWaalsContact O-N 3.11Å; E352-K356 WeakPolarHBondContact OE1-CE 3.45Å; E352-K356 IonicContact OE1-NZ 3.71Å; E352-K356 PolarHBondContact OE1-NZ 2.8Å; E352-Y372 HydrophobicContact CG-CE1 4.06Å
353	D	93.6	Very high	92.2	Very high	116 Å²	116	60.6 Å²	60.6	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-65.9	-29.4	-179.9	-69.8	-20	0	0	0	112.4	E351 K356 A357	E351-D353 VanDerWaalsContact C-N 3.29Å; E351-D353 PolarHBondContact O-N 3.5Å; D353-K356 PolarHBondContact O-N 3.01Å; D353-K356 IonicContact OD1-NZ 3.89Å; D353-A357 WeakPolarHBondContact O-CB 3.48Å; D353-A357 PolarHBondContact O-N 2.64Å
354	E	93.3	Very high	91.9	Very high	65 Å²	65	69.6 Å²	69.6	30%	0.304	35%	0.35	S	S	.	.	H	α-helix	trans	-68.4	-39	174.3	-62.3	-169.4	86.4	0	0	111.2	R345 V350 E351 E352 F358	R345-E354 IonicContact CZ-OE1 2.98Å; R345-E354 IonicContact CZ-OE2 3.86Å; R345-E354 IonicContact NH1-OE1 3.56Å; R345-E354 PolarHBondContact NH1-OE1 2.94Å; R345-E354 IonicContact NH1-OE2 2.95Å; R345-E354 PolarHBondContact NH1-OE2 3.38Å; R345-E354 IonicContact NH2-OE1 3.23Å; R345-E354 IonicContact NH2-OE2 3Å; R345-E354 PolarHBondContact NH2-OE2 3.38Å; V350-E354 HydrophobicContact CG1-CB 3.81Å; E351-E354 HydrophobicContact CB-CG 4.45Å; E351-E354 PolarHBondContact N-OE2 3.07Å; E351-E354 WeakPolarHBondContact O-CB 3.33Å; E351-E354 PolarHBondContact O-N 3.33Å; E351-E354 VanDerWaalsContact O-N 3.11Å; E352-E354 VanDerWaalsContact C-N 3.26Å; E352-E354 PolarHBondContact O-N 3.35Å; E354-F358 WeakPolarHBondContact O-CB 3.1Å; E354-F358 PolarHBondContact O-N 3.4Å
355	Y	95.3	Very high	91.9	Very high	6 Å²	6	70.9 Å²	70.9	2%	0.024	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-40.7	174.2	-70.5	-75.4	0	0	0	112.1	I342 V350 E351 E352 F358 Y359 Y372 H374 I386	I342-Y355 HydrophobicContact CD1-CD1 3.59Å; I342-Y355 HydrophobicContact CD1-CE1 3.98Å; I342-Y355 HydrophobicContact CD1-CG 4.35Å; V350-Y355 HydrophobicContact CB-CE2 3.74Å; V350-Y355 HydrophobicContact CG1-CD1 4.42Å; V350-Y355 HydrophobicContact CG1-CD2 3.83Å; V350-Y355 HydrophobicContact CG1-CE1 4.07Å; V350-Y355 HydrophobicContact CG1-CE2 3.44Å; V350-Y355 VanDerWaalsContact CG1-CE2 3.44Å; V350-Y355 HydrophobicContact CG1-CG 4.3Å; E351-Y355 VanDerWaalsContact O-CD2 3.31Å; E351-Y355 WeakPolarHBondContact O-CD2 3.42Å; E351-Y355 PolarHBondContact O-N 3.23Å; E352-Y355 PolarHBondContact O-N 3.42Å; E352-Y355 VanDerWaalsContact O-N 3.16Å; Y355-F358 PolarHBondContact O-N 2.82Å; Y355-Y359 WeakPolarHBondContact O-CB 3.43Å; Y355-Y359 PolarHBondContact O-N 3.39Å; Y355-Y372 AromaticContact CD1-CD2 3.96Å; Y355-Y372 HydrophobicContact CD1-CD2 3.96Å; Y355-Y372 HydrophobicContact CD1-CE2 4.13Å; Y355-Y372 HydrophobicContact CD2-CD2 4.16Å; Y355-Y372 HydrophobicContact CD2-CE1 4.47Å; Y355-Y372 AromaticContact CD2-CE2 3.52Å; Y355-Y372 HydrophobicContact CD2-CE2 3.52Å; Y355-Y372 AromaticContact CD2-CZ 3.71Å; Y355-Y372 HydrophobicContact CE1-CD2 4.25Å; Y355-Y372 HydrophobicContact CE1-CE2 4.28Å; Y355-Y372 HydrophobicContact CE2-CD2 4.43Å; Y355-Y372 AromaticContact CE2-CE2 3.68Å; Y355-Y372 HydrophobicContact CE2-CE2 3.68Å; Y355-Y372 AromaticContact CG-CD2 3.91Å; Y355-Y372 HydrophobicContact CG-CD2 3.91Å; Y355-Y372 AromaticContact CG-CE2 3.76Å; Y355-Y372 HydrophobicContact CG-CE2 3.76Å; Y355-Y372 HydrophobicContact CG-CG 4.39Å; Y355-H374 HydrophobicContact CE1-CB 3.84Å; Y355-H374 AromaticContact CE1-ND1 3.76Å; Y355-H374 AromaticContact CZ-ND1 3.7Å; Y355-H374 PolarHBondContact OH-ND1 2.66Å; Y355-I386 HydrophobicContact CD1-CD1 4.36Å; Y355-I386 HydrophobicContact CD1-CG2 4.2Å; Y355-I386 HydrophobicContact CE1-CD1 3.97Å; Y355-I386 HydrophobicContact CE1-CG2 4.32Å
356	K	95.1	Very high	91.8	Very high	42 Å²	42	71.2 Å²	71.2	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-48.2	177.5	-70.2	168.2	173.5	166.9	0	111.4	E352 D353 F358 Y359 K360 D368	E352-K356 HydrophobicContact CG-CD 4.48Å; E352-K356 PolarHBondContact O-N 2.95Å; E352-K356 VanDerWaalsContact O-N 3.11Å; E352-K356 WeakPolarHBondContact OE1-CE 3.45Å; E352-K356 IonicContact OE1-NZ 3.71Å; E352-K356 PolarHBondContact OE1-NZ 2.8Å; D353-K356 PolarHBondContact O-N 3.01Å; D353-K356 IonicContact OD1-NZ 3.89Å; K356-F358 VanDerWaalsContact C-N 3.33Å; K356-F358 PolarHBondContact O-N 2.79Å; K356-Y359 PolarHBondContact O-N 2.81Å; K356-K360 WeakPolarHBondContact O-CG 3.24Å; K356-K360 PolarHBondContact O-N 2.66Å; K356-D368 VanDerWaalsContact CD-OD2 3.29Å; K356-D368 WeakPolarHBondContact CD-OD2 2.88Å; K356-D368 WeakPolarHBondContact CE-OD2 3.38Å; K356-D368 HydrophobicContact CG-CB 4.36Å; K356-D368 IonicContact NZ-OD2 2.75Å
357	A	92.4	Very high	91.9	Very high	61 Å²	61	71.6 Å²	71.6	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-43.6	176.7	0	0	0	0	0	111.5	D353 K360 S361	D353-A357 WeakPolarHBondContact O-CB 3.48Å; D353-A357 PolarHBondContact O-N 2.64Å; A357-K360 PolarHBondContact O-N 3Å; A357-S361 WeakPolarHBondContact O-CB 3.33Å; A357-S361 PolarHBondContact O-N 2.93Å; A357-S361 VanDerWaalsContact O-N 3.1Å
358	F	93.5	Very high	92.1	Very high	5 Å²	5	71.2 Å²	71.2	2%	0.022	36%	0.362	C	S	.	.	H	α-helix	trans	-59.6	-47.6	174.4	178	-94.7	0	0	0	111.7	F274 I339 I342 W343 E354 Y355 K356 K360 S361 F362 F388 V436	F274-F358 AromaticContact CE1-CE2 3.8Å; F274-F358 HydrophobicContact CE1-CE2 3.8Å; F274-F358 AromaticContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CZ 4.2Å; I339-F358 HydrophobicContact CG2-CD2 3.54Å; I339-F358 HydrophobicContact CG2-CE2 3.84Å; I342-F358 HydrophobicContact CD1-CB 3.51Å; I342-F358 HydrophobicContact CD1-CD1 3.75Å; I342-F358 HydrophobicContact CD1-CD2 4.06Å; I342-F358 HydrophobicContact CD1-CG 3.47Å; I342-F358 VanDerWaalsContact CD1-CG 3.47Å; I342-F358 HydrophobicContact CG1-CB 4.14Å; I342-F358 HydrophobicContact CG1-CD1 4.16Å; I342-F358 HydrophobicContact CG1-CD2 3.76Å; I342-F358 HydrophobicContact CG1-CE2 4.25Å; I342-F358 HydrophobicContact CG1-CG 3.73Å; W343-F358 HydrophobicContact CE3-CE2 4.26Å; W343-F358 HydrophobicContact CE3-CZ 4.07Å; W343-F358 AromaticContact CZ3-CE2 3.64Å; W343-F358 HydrophobicContact CZ3-CE2 3.64Å; W343-F358 AromaticContact CZ3-CZ 3.57Å; W343-F358 HydrophobicContact CZ3-CZ 3.57Å; E354-F358 WeakPolarHBondContact O-CB 3.1Å; E354-F358 PolarHBondContact O-N 3.4Å; Y355-F358 PolarHBondContact O-N 2.82Å; K356-F358 VanDerWaalsContact C-N 3.33Å; K356-F358 PolarHBondContact O-N 2.79Å; F358-K360 PolarHBondContact O-N 3.22Å; F358-S361 PolarHBondContact O-N 3.37Å; F358-F362 HydrophobicContact CD1-CB 4.45Å; F358-F362 HydrophobicContact CE1-CB 4.08Å; F358-F362 HydrophobicContact CE1-CG 4.24Å; F358-F362 HydrophobicContact CZ-CB 4.09Å; F358-F362 HydrophobicContact CZ-CD2 4.21Å; F358-F362 HydrophobicContact CZ-CG 4.19Å; F358-F362 WeakPolarHBondContact O-CB 3.23Å; F358-F362 PolarHBondContact O-N 3.48Å; F358-F388 AromaticContact CD1-CE2 3.83Å; F358-F388 HydrophobicContact CD1-CE2 3.83Å; F358-F388 AromaticContact CD1-CZ 3.74Å; F358-F388 HydrophobicContact CD1-CZ 3.74Å; F358-F388 AromaticContact CE1-CE2 3.9Å; F358-F388 HydrophobicContact CE1-CE2 3.9Å; F358-F388 HydrophobicContact CE1-CZ 4.26Å; F358-V436 HydrophobicContact CE1-CG1 4.43Å; F358-V436 HydrophobicContact CE1-CG2 4.44Å; F358-V436 HydrophobicContact CZ-CG1 3.99Å; F358-V436 HydrophobicContact CZ-CG2 4.28Å
359	Y	94.5	Very high	92.3	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-49.9	178.5	172.7	-99.9	0	0	0	112.1	Y355 K356 S361 F362 S363 E365 D367 P369 F388 P390 K434	Y355-Y359 WeakPolarHBondContact O-CB 3.43Å; Y355-Y359 PolarHBondContact O-N 3.39Å; K356-Y359 PolarHBondContact O-N 2.81Å; Y359-S361 VanDerWaalsContact C-N 3.34Å; Y359-S361 PolarHBondContact O-N 2.95Å; Y359-F362 PolarHBondContact O-N 3.22Å; Y359-S363 VanDerWaalsContact O-CB 3.28Å; Y359-S363 WeakPolarHBondContact O-CB 3.42Å; Y359-S363 PolarHBondContact O-N 3.34Å; Y359-S363 PolarHBondContact O-OG 3.34Å; Y359-E365 HydrophobicContact CE1-CB 3.82Å; Y359-E365 HydrophobicContact CE1-CG 4.15Å; Y359-D367 VanDerWaalsContact CE1-O 3.3Å; Y359-D367 WeakPolarHBondContact CE1-O 3.37Å; Y359-P369 HydrophobicContact CD1-CB 3.86Å; Y359-P369 VanDerWaalsContact CD1-CD 3.45Å; Y359-P369 HydrophobicContact CD1-CG 3.95Å; Y359-P369 HydrophobicContact CD2-CB 3.91Å; Y359-P369 HydrophobicContact CD2-CG 4.34Å; Y359-P369 HydrophobicContact CE1-CB 4.04Å; Y359-P369 HydrophobicContact CE2-CB 4.08Å; Y359-P369 HydrophobicContact CG-CB 3.78Å; Y359-P369 HydrophobicContact CG-CG 3.8Å; Y359-F388 HydrophobicContact CD2-CB 3.59Å; Y359-F388 AromaticContact CD2-CD1 3.69Å; Y359-F388 HydrophobicContact CD2-CD1 3.69Å; Y359-F388 AromaticContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CE1 4.34Å; Y359-F388 AromaticContact CD2-CG 3.48Å; Y359-F388 HydrophobicContact CD2-CG 3.48Å; Y359-F388 VanDerWaalsContact CD2-CG 3.48Å; Y359-F388 HydrophobicContact CE2-CB 3.73Å; Y359-F388 HydrophobicContact CE2-CG 4.16Å; Y359-F388 HydrophobicContact CG-CD1 4.11Å; Y359-F388 HydrophobicContact CG-CE1 4.45Å; Y359-F388 HydrophobicContact CG-CG 4.34Å; Y359-P390 WeakPolarHBondContact OH-CA 3.31Å; Y359-P390 WeakPolarHBondContact OH-CB 3.45Å; Y359-K434 HydrophobicContact CE2-CB 4.38Å; Y359-K434 HydrophobicContact CE2-CD 4.07Å
360	K	91.9	Very high	92.5	Very high	75 Å²	75	57.5 Å²	57.5	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-58.6	-47.1	-179.6	-71	-178	-175	-177	0	111.8	K356 A357 F358 K364 E365 S366 D368	K356-K360 WeakPolarHBondContact O-CG 3.24Å; K356-K360 PolarHBondContact O-N 2.66Å; A357-K360 PolarHBondContact O-N 3Å; F358-K360 PolarHBondContact O-N 3.22Å; K360-K364 VanDerWaalsContact O-CA 3.26Å; K360-K364 WeakPolarHBondContact O-CA 3.47Å; K360-K364 PolarHBondContact O-N 3.12Å; K360-E365 WeakPolarHBondContact CA-O 3.37Å; K360-E365 VanDerWaalsContact CB-O 3.31Å; K360-E365 WeakPolarHBondContact CB-O 3.46Å; K360-E365 WeakPolarHBondContact CG-O 3.49Å; K360-E365 PolarHBondContact O-N 2.84Å; K360-S366 WeakPolarHBondContact CD-O 3.41Å; K360-S366 WeakPolarHBondContact CE-O 3.49Å; K360-S366 PolarHBondContact NZ-O 3.38Å; K360-D368 WeakPolarHBondContact CE-OD1 3.45Å; K360-D368 IonicContact NZ-OD1 2.61Å; K360-D368 PolarHBondContact NZ-OD1 3.42Å
361	S	87.3	Confident	92.7	Very high	53 Å²	53	57.8 Å²	57.8	37%	0.371	31%	0.305	S	S	.	.	H	α-helix	trans	-72.5	-41.7	-177.1	-166.5	0	0	0	0	112.5	I339 A357 F358 Y359	I339-S361 VanDerWaalsContact CD1-CB 3.48Å; I339-S361 WeakPolarHBondContact CD1-OG 3.32Å; I339-S361 WeakPolarHBondContact CG1-OG 3.34Å; A357-S361 WeakPolarHBondContact O-CB 3.33Å; A357-S361 PolarHBondContact O-N 2.93Å; A357-S361 VanDerWaalsContact O-N 3.1Å; F358-S361 PolarHBondContact O-N 3.37Å; Y359-S361 VanDerWaalsContact C-N 3.34Å; Y359-S361 PolarHBondContact O-N 2.95Å
362	F	88.3	Confident	92.8	Very high	11 Å²	11	55.4 Å²	55.4	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-46	177.4	173.4	-100.1	0	0	0	113	F274 F358 Y359 K410 G435 V436	F274-F362 HydrophobicContact CZ-CD2 4.22Å; F358-F362 HydrophobicContact CD1-CB 4.45Å; F358-F362 HydrophobicContact CE1-CB 4.08Å; F358-F362 HydrophobicContact CE1-CG 4.24Å; F358-F362 HydrophobicContact CZ-CB 4.09Å; F358-F362 HydrophobicContact CZ-CD2 4.21Å; F358-F362 HydrophobicContact CZ-CG 4.19Å; F358-F362 WeakPolarHBondContact O-CB 3.23Å; F358-F362 PolarHBondContact O-N 3.48Å; Y359-F362 PolarHBondContact O-N 3.22Å; F362-K410 HydrophobicContact CE2-CB 4.38Å; F362-K410 HydrophobicContact CE2-CD 3.77Å; F362-K410 HydrophobicContact CE2-CG 4.29Å; F362-K410 HydrophobicContact CZ-CB 4.15Å; F362-K410 HydrophobicContact CZ-CD 3.81Å; F362-K410 HydrophobicContact CZ-CG 3.91Å; F362-G435 WeakPolarHBondContact CE1-O 3.38Å; F362-G435 WeakPolarHBondContact CZ-O 3.25Å; F362-V436 HydrophobicContact CD2-CG1 3.92Å; F362-V436 HydrophobicContact CE1-CG1 4.3Å; F362-V436 HydrophobicContact CE2-CG1 3.37Å; F362-V436 HydrophobicContact CZ-CG1 3.61Å
363	S	87.9	Confident	93	Very high	20 Å²	20	51.7 Å²	51.7	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-93.1	-4.8	-172.8	71.1	0	0	0	0	114.4	Y359 E365	Y359-S363 VanDerWaalsContact O-CB 3.28Å; Y359-S363 WeakPolarHBondContact O-CB 3.42Å; Y359-S363 PolarHBondContact O-N 3.34Å; Y359-S363 PolarHBondContact O-OG 3.34Å; S363-E365 PolarHBondContact O-N 2.91Å; S363-E365 WeakPolarHBondContact OG-CB 3.45Å; S363-E365 VanDerWaalsContact OG-CG 3.24Å; S363-E365 WeakPolarHBondContact OG-CG 3.32Å
364	K	86.5	Confident	93.2	Very high	190 Å²	190	47.4 Å²	47.4	83%	0.826	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	34.1	-175	-53.2	178.6	-178.3	178.5	0	112.9	K360	K360-K364 VanDerWaalsContact O-CA 3.26Å; K360-K364 WeakPolarHBondContact O-CA 3.47Å; K360-K364 PolarHBondContact O-N 3.12Å
365	E	88.8	Confident	93.3	Very high	67 Å²	67	45 Å²	45	31%	0.313	24%	0.239	S	C	.	.			trans	-100	146.8	177.8	-68.2	-73.6	176.6	0	0	110.5	Y359 K360 S363 K434	Y359-E365 HydrophobicContact CE1-CB 3.82Å; Y359-E365 HydrophobicContact CE1-CG 4.15Å; K360-E365 WeakPolarHBondContact CA-O 3.37Å; K360-E365 VanDerWaalsContact CB-O 3.31Å; K360-E365 WeakPolarHBondContact CB-O 3.46Å; K360-E365 WeakPolarHBondContact CG-O 3.49Å; K360-E365 PolarHBondContact O-N 2.84Å; S363-E365 PolarHBondContact O-N 2.91Å; S363-E365 WeakPolarHBondContact OG-CB 3.45Å; S363-E365 VanDerWaalsContact OG-CG 3.24Å; S363-E365 WeakPolarHBondContact OG-CG 3.32Å; E365-K434 IonicContact OE1-NZ 3.98Å; E365-K434 PolarHBondContact OE1-NZ 3.32Å
366	S	91	Very high	93.3	Very high	88 Å²	88	48.1 Å²	48.1	62%	0.615	26%	0.259	S	S	*	.	S	Bend	trans	-79.4	-33.1	172.9	54.3	0	0	0	0	112.5	K360	K360-S366 WeakPolarHBondContact CD-O 3.41Å; K360-S366 WeakPolarHBondContact CE-O 3.49Å; K360-S366 PolarHBondContact NZ-O 3.38Å
367	D	93.5	Very high	93.2	Very high	82 Å²	82	46.5 Å²	46.5	44%	0.439	25%	0.253	S	S	.	.	S	Bend	trans	-89.1	152.4	-169.2	-63.4	-5.9	0	0	0	111.2	Y359	Y359-D367 VanDerWaalsContact CE1-O 3.3Å; Y359-D367 WeakPolarHBondContact CE1-O 3.37Å
368	D	96.1	Very high	93.1	Very high	58 Å²	58	50.7 Å²	50.7	31%	0.31	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-65.1	151.6	172	-71.7	2.2	0	0	0	110.1	K356 K360 T391	K356-D368 VanDerWaalsContact CD-OD2 3.29Å; K356-D368 WeakPolarHBondContact CD-OD2 2.88Å; K356-D368 WeakPolarHBondContact CE-OD2 3.38Å; K356-D368 HydrophobicContact CG-CB 4.36Å; K356-D368 IonicContact NZ-OD2 2.75Å; K360-D368 WeakPolarHBondContact CE-OD1 3.45Å; K360-D368 IonicContact NZ-OD1 2.61Å; K360-D368 PolarHBondContact NZ-OD1 3.42Å; D368-T391 PolarHBondContact O-OG1 2.92Å
369	P	96.8	Very high	92.7	Very high	12 Å²	12	53.5 Å²	53.5	8%	0.078	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.5	147.9	172.6	30.2	-32.4	0	0	0	110.9	Y359 A371 F388	Y359-P369 HydrophobicContact CD1-CB 3.86Å; Y359-P369 VanDerWaalsContact CD1-CD 3.45Å; Y359-P369 HydrophobicContact CD1-CG 3.95Å; Y359-P369 HydrophobicContact CD2-CB 3.91Å; Y359-P369 HydrophobicContact CD2-CG 4.34Å; Y359-P369 HydrophobicContact CE1-CB 4.04Å; Y359-P369 HydrophobicContact CE2-CB 4.08Å; Y359-P369 HydrophobicContact CG-CB 3.78Å; Y359-P369 HydrophobicContact CG-CG 3.8Å; P369-A371 VanDerWaalsContact C-N 3.34Å; P369-A371 PolarHBondContact O-N 3.4Å; P369-F388 HydrophobicContact CB-CB 4.31Å; P369-F388 HydrophobicContact CB-CD1 3.76Å; P369-F388 HydrophobicContact CB-CG 4.48Å; P369-F388 HydrophobicContact CG-CD1 3.76Å; P369-F388 HydrophobicContact CG-CE1 4.17Å
370	M	96	Very high	92.2	Very high	10 Å²	10	60 Å²	60	5%	0.049	32%	0.323	C	S	.	.	S	Bend	trans	-65.2	-41.1	177.1	-170.3	179.9	-68.1	0	0	112	V389 T391 I475 K479 F484	M370-V389 HydrophobicContact CB-CB 4.33Å; M370-V389 HydrophobicContact CB-CG1 4.17Å; M370-V389 WeakPolarHBondContact CB-O 3.41Å; M370-V389 PolarHBondContact N-O 3.46Å; M370-V389 HydrophobicContact SD-CG1 4.38Å; M370-T391 VanDerWaalsContact CE-O 3.25Å; M370-T391 WeakPolarHBondContact CE-O 3.47Å; M370-T391 PolarHBondContact N-OG1 3.2Å; M370-I475 HydrophobicContact SD-CD1 4.42Å; M370-K479 PolarHBondContact O-NZ 3.26Å; M370-F484 HydrophobicContact CE-CB 4.34Å; M370-F484 HydrophobicContact SD-CB 3.51Å; M370-F484 VanDerWaalsContact SD-CB 3.51Å; M370-F484 HydrophobicContact SD-CD2 3.75Å; M370-F484 HydrophobicContact SD-CG 4.13Å
371	A	97.1	Very high	92	Very high	17 Å²	17	56.5 Å²	56.5	14%	0.14	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.6	179.6	0	0	0	0	0	109.9	P369 F388 V389 M471 I475	P369-A371 VanDerWaalsContact C-N 3.34Å; P369-A371 PolarHBondContact O-N 3.4Å; A371-F388 WeakPolarHBondContact O-CA 3.49Å; A371-V389 HydrophobicContact CB-CB 4.38Å; A371-V389 HydrophobicContact CB-CG2 4.42Å; A371-V389 PolarHBondContact O-N 3.06Å; A371-M471 HydrophobicContact CB-CG 4.16Å; A371-M471 HydrophobicContact CB-SD 4.35Å; A371-I475 HydrophobicContact CB-CD1 4.19Å; A371-I475 HydrophobicContact CB-CG1 4.06Å
372	Y	97.2	Very high	92.2	Very high	81 Å²	81	56.9 Å²	56.9	32%	0.318	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	159.6	173.7	65.5	-91.7	0	0	0	111.1	E352 Y355 L387 F388	E352-Y372 HydrophobicContact CG-CE1 4.06Å; Y355-Y372 AromaticContact CD1-CD2 3.96Å; Y355-Y372 HydrophobicContact CD1-CD2 3.96Å; Y355-Y372 HydrophobicContact CD1-CE2 4.13Å; Y355-Y372 HydrophobicContact CD2-CD2 4.16Å; Y355-Y372 HydrophobicContact CD2-CE1 4.47Å; Y355-Y372 AromaticContact CD2-CE2 3.52Å; Y355-Y372 HydrophobicContact CD2-CE2 3.52Å; Y355-Y372 AromaticContact CD2-CZ 3.71Å; Y355-Y372 HydrophobicContact CE1-CD2 4.25Å; Y355-Y372 HydrophobicContact CE1-CE2 4.28Å; Y355-Y372 HydrophobicContact CE2-CD2 4.43Å; Y355-Y372 AromaticContact CE2-CE2 3.68Å; Y355-Y372 HydrophobicContact CE2-CE2 3.68Å; Y355-Y372 AromaticContact CG-CD2 3.91Å; Y355-Y372 HydrophobicContact CG-CD2 3.91Å; Y355-Y372 AromaticContact CG-CE2 3.76Å; Y355-Y372 HydrophobicContact CG-CE2 3.76Å; Y355-Y372 HydrophobicContact CG-CG 4.39Å; Y372-L387 CarbonylContact C-O 3.56Å; Y372-L387 WeakPolarHBondContact CA-O 3.44Å; Y372-F388 VanDerWaalsContact CB-CD1 3.5Å; Y372-F388 HydrophobicContact CG-CE1 4.38Å
373	I	97.3	Very high	92.5	Very high	23 Å²	23	56.4 Å²	56.4	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	125.9	171.1	-170.3	168	0	0	0	109.9	F375 I386 L387 K467 M471	I373-F375 HydrophobicContact CG1-CD1 4.27Å; I373-F375 HydrophobicContact CG2-CD1 4.36Å; I373-I386 VanDerWaalsContact O-CA 3.31Å; I373-I386 WeakPolarHBondContact O-CA 3.42Å; I373-L387 HydrophobicContact CG2-CB 3.86Å; I373-L387 HydrophobicContact CG2-CD1 4.5Å; I373-L387 HydrophobicContact CG2-CG 4.46Å; I373-L387 PolarHBondContact N-O 2.87Å; I373-L387 PolarHBondContact O-N 3.18Å; I373-K467 HydrophobicContact CD1-CB 4.19Å; I373-K467 HydrophobicContact CD1-CD 4.18Å; I373-K467 WeakPolarHBondContact CD1-O 3.4Å; I373-M471 HydrophobicContact CB-CB 4.01Å; I373-M471 HydrophobicContact CB-CG 4.1Å; I373-M471 HydrophobicContact CB-SD 3.89Å; I373-M471 HydrophobicContact CD1-CB 4.19Å; I373-M471 HydrophobicContact CG2-CB 3.98Å; I373-M471 HydrophobicContact CG2-CE 4.25Å; I373-M471 HydrophobicContact CG2-CG 4.22Å; I373-M471 HydrophobicContact CG2-SD 3.61Å
374	H	97.2	Very high	92.9	Very high	26 Å²	26	58.1 Å²	58.1	12%	0.12	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.7	172.9	-176.2	179.2	0	0	0	108.8	W343 R345 Y355 I386	W343-H374 WeakPolarHBondContact CA-NE2 3.1Å; W343-H374 PolarHBondContact O-NE2 2.76Å; R345-H374 PolarHBondContact O-CE1 3.39Å; R345-H374 VanDerWaalsContact O-CE1 3.22Å; Y355-H374 HydrophobicContact CE1-CB 3.84Å; Y355-H374 AromaticContact CE1-ND1 3.76Å; Y355-H374 AromaticContact CZ-ND1 3.7Å; Y355-H374 PolarHBondContact OH-ND1 2.66Å; H374-I386 HydrophobicContact CB-CG1 4.07Å
375	F	96.1	Very high	93.3	Very high	16 Å²	16	49 Å²	49	7%	0.07	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.4	178.4	68.9	-82.8	0	0	0	112.7	I373 A377 F383 S385 L387 L464 K467	I373-F375 HydrophobicContact CG1-CD1 4.27Å; I373-F375 HydrophobicContact CG2-CD1 4.36Å; F375-A377 HydrophobicContact CD2-CB 4.32Å; F375-A377 HydrophobicContact CE2-CB 4.13Å; F375-F383 AromaticContact CE2-CE2 3.81Å; F375-F383 HydrophobicContact CE2-CE2 3.81Å; F375-F383 HydrophobicContact CE2-CZ 4.28Å; F375-F383 HydrophobicContact CZ-CE2 4.12Å; F375-S385 PolarHBondContact N-O 2.89Å; F375-S385 PolarHBondContact O-N 3.46Å; F375-L387 HydrophobicContact CE1-CD1 4.09Å; F375-L387 HydrophobicContact CE1-CG 4.27Å; F375-L464 HydrophobicContact CZ-CD2 3.98Å; F375-K467 HydrophobicContact CB-CD 4.37Å; F375-K467 HydrophobicContact CD1-CB 4.02Å; F375-K467 HydrophobicContact CD1-CD 4.25Å; F375-K467 HydrophobicContact CD1-CG 3.96Å; F375-K467 HydrophobicContact CD2-CD 4.16Å; F375-K467 HydrophobicContact CD2-CG 3.86Å; F375-K467 HydrophobicContact CE1-CB 3.7Å; F375-K467 HydrophobicContact CE1-CG 3.87Å; F375-K467 HydrophobicContact CE2-CB 4.44Å; F375-K467 HydrophobicContact CE2-CG 3.78Å; F375-K467 HydrophobicContact CG-CD 3.98Å; F375-K467 HydrophobicContact CG-CG 3.95Å; F375-K467 HydrophobicContact CZ-CB 3.92Å; F375-K467 HydrophobicContact CZ-CG 3.78Å
376	T	95	Very high	93.7	Very high	71 Å²	71	45.9 Å²	45.9	44%	0.436	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.6	166.5	-52.7	0	0	0	0	108.5	E378 K384	T376-E378 HydrophobicContact CG2-CG 4.35Å; T376-K384 HydrophobicContact CG2-CG 4.09Å
377	A	93.4	Very high	94	Very high	8 Å²	8	41.7 Å²	41.7	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.9	179.5	0	0	0	0	0	108.4	F375 T382 F383 K463	F375-A377 HydrophobicContact CD2-CB 4.32Å; F375-A377 HydrophobicContact CE2-CB 4.13Å; A377-T382 CarbonylContact O-C 3.56Å; A377-T382 WeakPolarHBondContact O-CA 3.39Å; A377-F383 HydrophobicContact CB-CD1 3.83Å; A377-F383 HydrophobicContact CB-CD2 4.16Å; A377-F383 HydrophobicContact CB-CE1 3.53Å; A377-F383 HydrophobicContact CB-CE2 3.86Å; A377-F383 HydrophobicContact CB-CG 4.16Å; A377-F383 HydrophobicContact CB-CZ 3.55Å; A377-F383 PolarHBondContact N-O 3.39Å; A377-F383 PolarHBondContact O-N 3.16Å; A377-K463 HydrophobicContact CB-CD 3.51Å
378	E	89.6	Confident	94.2	Very high	149 Å²	149	37.8 Å²	37.8	70%	0.696	21%	0.206	S	C	*	.			trans	-109.3	164.1	179.5	-63.6	171.1	-174.6	0	0	111	T376 K463	T376-E378 HydrophobicContact CG2-CG 4.35Å; E378-K463 PolarHBondContact O-NZ 3.44Å
379	G	85.6	Confident	94.3	Very high	63 Å²	63	35 Å²	35	65%	0.649	19%	0.192	S	C	*	.	S	Bend	trans	123.4	-133.8	179.2	0	0	0	0	0	112.1	V381	G379-V381 PolarHBondContact O-N 3.36Å
380	E	84	Confident	94.3	Very high	140 Å²	140	34.5 Å²	34.5	65%	0.654	19%	0.189	S	C	*	.	S	Bend	trans	-58.8	-30.2	179.1	-172.8	-178.4	178.6	0	0	113.4
381	V	87.6	Confident	94.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.201	C	C	.	.	S	Bend	trans	-133.8	129.5	171.7	-175.9	0	0	0	0	108	G379 F383 L442 L456 I460 K463	G379-V381 PolarHBondContact O-N 3.36Å; V381-F383 HydrophobicContact CB-CD1 4.45Å; V381-F383 HydrophobicContact CG1-CD1 3.93Å; V381-L442 HydrophobicContact CG1-CD2 3.78Å; V381-L442 HydrophobicContact CG1-CG 4.46Å; V381-L456 HydrophobicContact CG2-CB 3.96Å; V381-L456 HydrophobicContact CG2-CD2 3.69Å; V381-L456 HydrophobicContact CG2-CG 4.24Å; V381-I460 HydrophobicContact CG1-CD1 4.21Å; V381-I460 HydrophobicContact CG1-CG1 4.1Å; V381-K463 PolarHBondContact O-NZ 3.43Å; V381-K463 VanDerWaalsContact O-NZ 3.16Å
382	T	92.1	Very high	94.2	Very high	60 Å²	60	38.5 Å²	38.5	37%	0.368	21%	0.214	S	C	.	.			trans	-104.6	109.5	177.7	-57.6	0	0	0	0	111.2	A377 S439 D441	A377-T382 CarbonylContact O-C 3.56Å; A377-T382 WeakPolarHBondContact O-CA 3.39Å; T382-S439 PolarHBondContact O-OG 3.45Å; T382-D441 PolarHBondContact N-OD2 3.22Å
383	F	94	Very high	94.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.6	179.3	67.3	-91.4	0	0	0	112.4	F375 A377 V381 V437 D438 I460 K463 L464	F375-F383 AromaticContact CE2-CE2 3.81Å; F375-F383 HydrophobicContact CE2-CE2 3.81Å; F375-F383 HydrophobicContact CE2-CZ 4.28Å; F375-F383 HydrophobicContact CZ-CE2 4.12Å; A377-F383 HydrophobicContact CB-CD1 3.83Å; A377-F383 HydrophobicContact CB-CD2 4.16Å; A377-F383 HydrophobicContact CB-CE1 3.53Å; A377-F383 HydrophobicContact CB-CE2 3.86Å; A377-F383 HydrophobicContact CB-CG 4.16Å; A377-F383 HydrophobicContact CB-CZ 3.55Å; A377-F383 PolarHBondContact N-O 3.39Å; A377-F383 PolarHBondContact O-N 3.16Å; V381-F383 HydrophobicContact CB-CD1 4.45Å; V381-F383 HydrophobicContact CG1-CD1 3.93Å; F383-V437 HydrophobicContact CB-CG1 4.35Å; F383-V437 HydrophobicContact CD2-CG1 3.72Å; F383-V437 HydrophobicContact CE2-CG1 4.23Å; F383-V437 HydrophobicContact CG-CG1 4.17Å; F383-D438 CarbonylContact C-O 3.49Å; F383-D438 WeakPolarHBondContact CA-O 3.27Å; F383-D438 WeakPolarHBondContact CB-O 3.42Å; F383-I460 HydrophobicContact CD1-CG1 4.03Å; F383-I460 HydrophobicContact CE1-CB 4.22Å; F383-I460 HydrophobicContact CE1-CG1 3.79Å; F383-I460 HydrophobicContact CE1-CG2 4.23Å; F383-I460 HydrophobicContact CE2-CG2 4.49Å; F383-I460 HydrophobicContact CZ-CB 4.44Å; F383-I460 HydrophobicContact CZ-CG1 4.45Å; F383-I460 HydrophobicContact CZ-CG2 4.05Å; F383-K463 HydrophobicContact CE1-CB 4.43Å; F383-K463 HydrophobicContact CE1-CD 3.89Å; F383-K463 HydrophobicContact CZ-CB 3.92Å; F383-K463 HydrophobicContact CZ-CD 4.11Å; F383-L464 HydrophobicContact CE2-CD2 4.23Å
384	K	95.6	Very high	93.9	Very high	55 Å²	55	36 Å²	36	24%	0.239	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.4	171.6	-57	-177.5	-169.8	174.7	0	108.6	W343 T376 D438	W343-K384 HydrophobicContact CB-CB 4.46Å; W343-K384 VanDerWaalsContact O-CD 3.23Å; W343-K384 WeakPolarHBondContact O-CD 3.47Å; T376-K384 HydrophobicContact CG2-CG 4.09Å; K384-D438 PolarHBondContact N-O 3.49Å; K384-D438 PolarHBondContact O-N 2.94Å
385	S	96	Very high	93.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.2	-178	-178.1	0	0	0	0	112.2	F375 V436	F375-S385 PolarHBondContact N-O 2.89Å; F375-S385 PolarHBondContact O-N 3.46Å; S385-V436 VanDerWaalsContact CA-O 3.24Å; S385-V436 WeakPolarHBondContact CA-O 3.16Å; S385-V436 WeakPolarHBondContact CB-O 3.33Å; S385-V436 PolarHBondContact OG-O 3.46Å
386	I	97.2	Very high	93.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.1	167.5	-55.2	171.1	0	0	0	107.6	I342 W343 Y355 I373 H374 F388 G435 V436	I342-I386 HydrophobicContact CB-CD1 4.47Å; I342-I386 HydrophobicContact CD1-CD1 3.53Å; I342-I386 HydrophobicContact CG1-CD1 3.5Å; I342-I386 VanDerWaalsContact CG1-CD1 3.5Å; W343-I386 HydrophobicContact CB-CD1 3.71Å; W343-I386 HydrophobicContact CB-CG1 3.89Å; Y355-I386 HydrophobicContact CD1-CD1 4.36Å; Y355-I386 HydrophobicContact CD1-CG2 4.2Å; Y355-I386 HydrophobicContact CE1-CD1 3.97Å; Y355-I386 HydrophobicContact CE1-CG2 4.32Å; I373-I386 VanDerWaalsContact O-CA 3.31Å; I373-I386 WeakPolarHBondContact O-CA 3.42Å; H374-I386 HydrophobicContact CB-CG1 4.07Å; I386-F388 HydrophobicContact CB-CE2 4.19Å; I386-F388 HydrophobicContact CG2-CD2 4.19Å; I386-F388 HydrophobicContact CG2-CE1 4.18Å; I386-F388 HydrophobicContact CG2-CE2 3.38Å; I386-F388 HydrophobicContact CG2-CZ 3.37Å; I386-G435 CarbonylContact O-C 3.59Å; I386-G435 WeakPolarHBondContact O-CA 3.29Å; I386-V436 HydrophobicContact CB-CG2 4.2Å; I386-V436 PolarHBondContact N-O 3.25Å; I386-V436 PolarHBondContact O-N 2.89Å
387	L	97.4	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149	176.8	-54.8	177.7	0	0	0	110.2	Y372 I373 F375 I409 V433 K434 L464 T468 M471	Y372-L387 CarbonylContact C-O 3.56Å; Y372-L387 WeakPolarHBondContact CA-O 3.44Å; I373-L387 HydrophobicContact CG2-CB 3.86Å; I373-L387 HydrophobicContact CG2-CD1 4.5Å; I373-L387 HydrophobicContact CG2-CG 4.46Å; I373-L387 PolarHBondContact N-O 2.87Å; I373-L387 PolarHBondContact O-N 3.18Å; F375-L387 HydrophobicContact CE1-CD1 4.09Å; F375-L387 HydrophobicContact CE1-CG 4.27Å; L387-I409 HydrophobicContact CD2-CD1 4.06Å; L387-I409 HydrophobicContact CD2-CG2 4.4Å; L387-V433 HydrophobicContact CB-CG1 4.07Å; L387-V433 HydrophobicContact CD2-CG1 4.38Å; L387-K434 CarbonylContact C-O 3.54Å; L387-K434 WeakPolarHBondContact CA-O 3.44Å; L387-L464 HydrophobicContact CD1-CD2 3.91Å; L387-L464 HydrophobicContact CD2-CD2 4.13Å; L387-L464 HydrophobicContact CG-CD2 4.4Å; L387-T468 WeakPolarHBondContact CD1-OG1 3.44Å; L387-M471 HydrophobicContact CB-CE 4.49Å
388	F	97.9	Very high	93.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.4	-176.1	-62.6	-87.1	0	0	0	110.8	F358 Y359 P369 A371 Y372 I386 K434	F358-F388 AromaticContact CD1-CE2 3.83Å; F358-F388 HydrophobicContact CD1-CE2 3.83Å; F358-F388 AromaticContact CD1-CZ 3.74Å; F358-F388 HydrophobicContact CD1-CZ 3.74Å; F358-F388 AromaticContact CE1-CE2 3.9Å; F358-F388 HydrophobicContact CE1-CE2 3.9Å; F358-F388 HydrophobicContact CE1-CZ 4.26Å; Y359-F388 HydrophobicContact CD2-CB 3.59Å; Y359-F388 AromaticContact CD2-CD1 3.69Å; Y359-F388 HydrophobicContact CD2-CD1 3.69Å; Y359-F388 AromaticContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CE1 4.34Å; Y359-F388 AromaticContact CD2-CG 3.48Å; Y359-F388 HydrophobicContact CD2-CG 3.48Å; Y359-F388 VanDerWaalsContact CD2-CG 3.48Å; Y359-F388 HydrophobicContact CE2-CB 3.73Å; Y359-F388 HydrophobicContact CE2-CG 4.16Å; Y359-F388 HydrophobicContact CG-CD1 4.11Å; Y359-F388 HydrophobicContact CG-CE1 4.45Å; Y359-F388 HydrophobicContact CG-CG 4.34Å; P369-F388 HydrophobicContact CB-CB 4.31Å; P369-F388 HydrophobicContact CB-CD1 3.76Å; P369-F388 HydrophobicContact CB-CG 4.48Å; P369-F388 HydrophobicContact CG-CD1 3.76Å; P369-F388 HydrophobicContact CG-CE1 4.17Å; A371-F388 WeakPolarHBondContact O-CA 3.49Å; Y372-F388 VanDerWaalsContact CB-CD1 3.5Å; Y372-F388 HydrophobicContact CG-CE1 4.38Å; I386-F388 HydrophobicContact CB-CE2 4.19Å; I386-F388 HydrophobicContact CG2-CD2 4.19Å; I386-F388 HydrophobicContact CG2-CE1 4.18Å; I386-F388 HydrophobicContact CG2-CE2 3.38Å; I386-F388 HydrophobicContact CG2-CZ 3.37Å; F388-K434 PolarHBondContact N-O 3.03Å; F388-K434 PolarHBondContact O-N 3.33Å
389	V	97.6	Very high	93.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.9	164.1	-179.1	0	0	0	0	107.6	M370 A371 F432 M471 I472 F484 F488	M370-V389 HydrophobicContact CB-CB 4.33Å; M370-V389 HydrophobicContact CB-CG1 4.17Å; M370-V389 WeakPolarHBondContact CB-O 3.41Å; M370-V389 PolarHBondContact N-O 3.46Å; M370-V389 HydrophobicContact SD-CG1 4.38Å; A371-V389 HydrophobicContact CB-CB 4.38Å; A371-V389 HydrophobicContact CB-CG2 4.42Å; A371-V389 PolarHBondContact O-N 3.06Å; V389-F432 HydrophobicContact CG1-CD2 4.45Å; V389-F432 HydrophobicContact CG1-CE2 4.14Å; V389-F432 HydrophobicContact CG2-CE2 4.47Å; V389-M471 HydrophobicContact CG2-CE 3.35Å; V389-M471 HydrophobicContact CG2-SD 4.06Å; V389-I472 HydrophobicContact CG2-CG1 4.46Å; V389-F484 HydrophobicContact CG1-CD2 3.91Å; V389-F484 HydrophobicContact CG1-CE2 3.78Å; V389-F488 HydrophobicContact CG1-CD2 4.14Å; V389-F488 HydrophobicContact CG1-CE2 3.77Å
390	P	96.9	Very high	93.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.013	25%	0.246	C	C	.	.			trans	-59.4	153.1	173.2	-24	35.3	0	0	0	112.2	Y359 S392 F432 K434 F488	Y359-P390 WeakPolarHBondContact OH-CA 3.31Å; Y359-P390 WeakPolarHBondContact OH-CB 3.45Å; P390-S392 WeakPolarHBondContact CB-O 3.49Å; P390-F432 VanDerWaalsContact CD-O 3.25Å; P390-F432 WeakPolarHBondContact CD-O 3.29Å; P390-F432 VanDerWaalsContact CG-O 3.32Å; P390-F432 WeakPolarHBondContact CG-O 3.32Å; P390-K434 HydrophobicContact CG-CD 4.24Å; P390-K434 HydrophobicContact CG-CG 4.01Å; P390-F488 HydrophobicContact CB-CZ 4.32Å; P390-F488 WeakPolarHBondContact O-CE2 3.42Å
391	T	96.3	Very high	93.3	Very high	52 Å²	52	45.4 Å²	45.4	32%	0.319	23%	0.227	S	C	.	.	S	Bend	trans	-69.6	-35.1	175	-69.5	0	0	0	0	112.6	D368 M370	D368-T391 PolarHBondContact O-OG1 2.92Å; M370-T391 VanDerWaalsContact CE-O 3.25Å; M370-T391 WeakPolarHBondContact CE-O 3.47Å; M370-T391 PolarHBondContact N-OG1 3.2Å
392	S	95.5	Very high	93.2	Very high	58 Å²	58	46.3 Å²	46.3	41%	0.406	24%	0.238	S	C	.	.	S	Bend	trans	-126.1	148.9	179.5	-51.6	0	0	0	0	110	P390	P390-S392 WeakPolarHBondContact CB-O 3.49Å
393	A	95.2	Very high	92.8	Very high	34 Å²	34	47.7 Å²	47.7	28%	0.281	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-62.4	131.2	174.8	0	0	0	0	0	110.7	L397 E487 F488	A393-L397 HydrophobicContact CB-CD2 4.05Å; A393-E487 HydrophobicContact CB-CB 4.47Å; A393-E487 PolarHBondContact N-OE2 3.36Å; A393-F488 HydrophobicContact CB-CE1 4.02Å
394	P	91.7	Very high	92.3	Very high	17 Å²	17	52.5 Å²	52.5	11%	0.11	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-58	144	176.6	-25.8	34.4	0	0	0	112.3	G396 L397 Y408	P394-G396 PolarHBondContact O-N 3.3Å; P394-L397 WeakPolarHBondContact O-CB 3.45Å; P394-L397 PolarHBondContact O-N 3.4Å; P394-L397 VanDerWaalsContact O-N 3.14Å; P394-Y408 HydrophobicContact CB-CE2 4.4Å; P394-Y408 WeakPolarHBondContact CB-OH 3.33Å; P394-Y408 HydrophobicContact CG-CE2 3.89Å
395	R	90.5	Very high	91.4	Very high	249 Å²	249	56.7 Å²	56.7	94%	0.94	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	124.5	171.8	-66.8	-176.8	-179	177.2	1.1	109
396	G	90.6	Very high	90.7	Very high	19 Å²	19	58 Å²	58	20%	0.196	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	30.7	-178.5	0	0	0	0	0	115.2	P394 F398 D399 K404	P394-G396 PolarHBondContact O-N 3.3Å; G396-F398 VanDerWaalsContact C-N 3.27Å; G396-F398 PolarHBondContact O-N 3.31Å; G396-D399 WeakPolarHBondContact CA-OD2 3.28Å; G396-D399 PolarHBondContact O-N 3.38Å; G396-K404 PolarHBondContact O-NZ 3.01Å; G396-K404 VanDerWaalsContact O-NZ 3.07Å
397	L	91.6	Very high	90.3	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.068	32%	0.32	C	S	.	.	S	Bend	trans	-58.9	-35	174.9	-178.4	62.6	0	0	0	113.2	A393 P394 N431 F432 F488	A393-L397 HydrophobicContact CB-CD2 4.05Å; P394-L397 WeakPolarHBondContact O-CB 3.45Å; P394-L397 PolarHBondContact O-N 3.4Å; P394-L397 VanDerWaalsContact O-N 3.14Å; L397-N431 WeakPolarHBondContact CD1-OD1 3.46Å; L397-N431 PolarHBondContact O-ND2 2.67Å; L397-F432 HydrophobicContact CD1-CB 3.84Å; L397-F432 HydrophobicContact CD2-CB 4.27Å; L397-F488 HydrophobicContact CD2-CD1 4.27Å; L397-F488 HydrophobicContact CD2-CE1 4.27Å
398	F	92.2	Very high	90	Very high	82 Å²	82	64.4 Å²	64.4	36%	0.36	33%	0.329	S	S	.	.	S	Bend	trans	-106.6	3.2	-179.7	-63.4	-65.3	0	0	0	113.6	G396 E400 Y401 T490 N491 L494	G396-F398 VanDerWaalsContact C-N 3.27Å; G396-F398 PolarHBondContact O-N 3.31Å; F398-E400 PolarHBondContact O-N 2.85Å; F398-Y401 AromaticContact CD1-CD2 3.77Å; F398-Y401 HydrophobicContact CD1-CD2 3.77Å; F398-Y401 HydrophobicContact CD1-CE2 4.26Å; F398-Y401 HydrophobicContact CD1-CG 4.41Å; F398-Y401 HydrophobicContact CE1-CD2 4.31Å; F398-Y401 HydrophobicContact CE1-CE2 4.34Å; F398-Y401 PolarHBondContact O-N 3.16Å; F398-T490 HydrophobicContact CE1-CG2 4.08Å; F398-T490 HydrophobicContact CE2-CG2 4.14Å; F398-T490 HydrophobicContact CZ-CG2 3.62Å; F398-N491 VanDerWaalsContact CZ-OD1 3.24Å; F398-N491 WeakPolarHBondContact CZ-OD1 3.07Å; F398-L494 HydrophobicContact CD1-CD1 4.46Å; F398-L494 HydrophobicContact CE1-CD1 3.81Å
399	D	89.9	Confident	89.8	Confident	98 Å²	98	64.5 Å²	64.5	52%	0.524	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	123.4	174.3	-63.7	-7.5	0	0	0	108.4	G396 Y401	G396-D399 WeakPolarHBondContact CA-OD2 3.28Å; G396-D399 PolarHBondContact O-N 3.38Å; D399-Y401 PolarHBondContact O-N 3.44Å
400	E	85.6	Confident	89.5	Confident	142 Å²	142	66.6 Å²	66.6	66%	0.664	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	44.4	-178	-52.6	-178.5	151.1	0	0	111.9	F398 G402 S403 K404	F398-E400 PolarHBondContact O-N 2.85Å; E400-G402 PolarHBondContact O-N 2.97Å; E400-S403 WeakPolarHBondContact CB-OG 3.34Å; E400-S403 PolarHBondContact O-N 3.19Å; E400-S403 PolarHBondContact O-OG 3.02Å; E400-K404 HydrophobicContact CB-CB 4.28Å; E400-K404 PolarHBondContact O-N 3.46Å; E400-K404 VanDerWaalsContact O-N 3.13Å
401	Y	88.8	Confident	89.3	Confident	68 Å²	68	66.5 Å²	66.5	27%	0.267	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	117.4	-175.2	179.5	-100.5	0	0	0	111.7	F398 D399 K428 Y429 L494 E498	F398-Y401 AromaticContact CD1-CD2 3.77Å; F398-Y401 HydrophobicContact CD1-CD2 3.77Å; F398-Y401 HydrophobicContact CD1-CE2 4.26Å; F398-Y401 HydrophobicContact CD1-CG 4.41Å; F398-Y401 HydrophobicContact CE1-CD2 4.31Å; F398-Y401 HydrophobicContact CE1-CE2 4.34Å; F398-Y401 PolarHBondContact O-N 3.16Å; D399-Y401 PolarHBondContact O-N 3.44Å; Y401-K428 HydrophobicContact CE1-CB 4.43Å; Y401-K428 HydrophobicContact CE2-CB 4.27Å; Y401-K428 WeakPolarHBondContact OH-CB 3.18Å; Y401-Y429 PolarHBondContact OH-N 2.89Å; Y401-L494 HydrophobicContact CE1-CD1 4.11Å; Y401-L494 HydrophobicContact CE2-CD1 3.99Å; Y401-E498 VanDerWaalsContact CE1-OE1 3.32Å; Y401-E498 WeakPolarHBondContact CE1-OE1 3.29Å; Y401-E498 PolarHBondContact OH-OE1 2.98Å; Y401-E498 PolarHBondContact OH-OE2 2.78Å
402	G	84.8	Confident	89.1	Confident	22 Å²	22	64 Å²	64	23%	0.227	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-11.6	178	0	0	0	0	0	116.3	E400 K428	E400-G402 PolarHBondContact O-N 2.97Å; G402-K428 WeakPolarHBondContact O-CE 3.47Å; G402-K428 PolarHBondContact O-NZ 3.01Å
403	S	84.6	Confident	88.8	Confident	88 Å²	88	61.7 Å²	61.7	62%	0.615	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-34.4	169.7	50.5	0	0	0	0	112.7	E400 K405	E400-S403 WeakPolarHBondContact CB-OG 3.34Å; E400-S403 PolarHBondContact O-N 3.19Å; E400-S403 PolarHBondContact O-OG 3.02Å; S403-K405 PolarHBondContact O-N 3.12Å
404	K	81.8	Confident	88.4	Confident	103 Å²	103	62.5 Å²	62.5	45%	0.448	30%	0.302	S	S	.	.	S	Bend	trans	-63.8	122.4	174.8	-173.5	174.6	178.5	-178.2	0	110.5	G396 E400 S406	G396-K404 PolarHBondContact O-NZ 3.01Å; G396-K404 VanDerWaalsContact O-NZ 3.07Å; E400-K404 HydrophobicContact CB-CB 4.28Å; E400-K404 PolarHBondContact O-N 3.46Å; E400-K404 VanDerWaalsContact O-N 3.13Å; K404-S406 PolarHBondContact O-N 3.37Å
405	K	77.7	Confident	88.3	Confident	144 Å²	144	63.2 Å²	63.2	63%	0.626	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-75.4	119.3	175.4	-63.1	-168.6	177.8	-159.8	0	109.4	S403 D421	S403-K405 PolarHBondContact O-N 3.12Å; K405-D421 IonicContact NZ-OD1 3.26Å; K405-D421 IonicContact NZ-OD2 2.88Å; K405-D421 PolarHBondContact NZ-OD2 2.95Å
406	S	81.8	Confident	88.2	Confident	28 Å²	28	51.6 Å²	51.6	20%	0.196	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-79.9	126.4	171.4	59	0	0	0	0	109.8	K404 Y408 F422	K404-S406 PolarHBondContact O-N 3.37Å; S406-Y408 VanDerWaalsContact C-N 3.34Å; S406-F422 WeakPolarHBondContact O-CB 3.44Å
407	D	87.3	Confident	88.2	Confident	86 Å²	86	51.1 Å²	51.1	46%	0.46	25%	0.251	S	S	.	.			trans	-96.3	14.1	178.1	65.5	-26.4	0	0	0	113.1	I409 D420	D407-I409 PolarHBondContact O-N 2.97Å; D407-D420 HydrophobicContact CB-CB 4.23Å
408	Y	91.9	Very high	88.1	Confident	48 Å²	48	50.9 Å²	50.9	19%	0.188	25%	0.25	C	S	.	.	S	Bend	trans	-74	-26.3	-166.9	-71.7	-13.5	0	0	0	115.5	P394 S406 N431 V433 K434 G435	P394-Y408 HydrophobicContact CB-CE2 4.4Å; P394-Y408 WeakPolarHBondContact CB-OH 3.33Å; P394-Y408 HydrophobicContact CG-CE2 3.89Å; S406-Y408 VanDerWaalsContact C-N 3.34Å; Y408-N431 WeakPolarHBondContact CD2-O 3.47Å; Y408-N431 VanDerWaalsContact CE2-O 3.25Å; Y408-N431 WeakPolarHBondContact CE2-O 3Å; Y408-V433 WeakPolarHBondContact CB-O 3.46Å; Y408-K434 HydrophobicContact CD2-CG 4.39Å; Y408-K434 HydrophobicContact CG-CG 4.05Å; Y408-K434 CarbonylContact O-C 3.59Å; Y408-K434 VanDerWaalsContact O-CA 3.23Å; Y408-K434 WeakPolarHBondContact O-CA 3.41Å; Y408-G435 PolarHBondContact O-N 2.84Å
409	I	93	Very high	87.9	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.2	170	22.8	-175.7	0	0	0	109.9	L387 D407 F422 M426 V433 G435 V437	L387-I409 HydrophobicContact CD2-CD1 4.06Å; L387-I409 HydrophobicContact CD2-CG2 4.4Å; D407-I409 PolarHBondContact O-N 2.97Å; I409-F422 HydrophobicContact CB-CD2 4.12Å; I409-F422 HydrophobicContact CB-CE1 4.07Å; I409-F422 HydrophobicContact CB-CE2 3.45Å; I409-F422 VanDerWaalsContact CB-CE2 3.45Å; I409-F422 HydrophobicContact CB-CZ 3.43Å; I409-F422 VanDerWaalsContact CB-CZ 3.43Å; I409-F422 HydrophobicContact CD1-CD1 3.93Å; I409-F422 HydrophobicContact CD1-CE1 3.22Å; I409-F422 HydrophobicContact CD1-CE2 4.28Å; I409-F422 HydrophobicContact CD1-CZ 3.45Å; I409-F422 VanDerWaalsContact CD1-CZ 3.45Å; I409-F422 HydrophobicContact CG1-CD1 3.67Å; I409-F422 HydrophobicContact CG1-CD2 3.87Å; I409-F422 HydrophobicContact CG1-CE1 3.26Å; I409-F422 HydrophobicContact CG1-CE2 3.5Å; I409-F422 VanDerWaalsContact CG1-CE2 3.5Å; I409-F422 HydrophobicContact CG1-CG 3.96Å; I409-F422 HydrophobicContact CG1-CZ 3.18Å; I409-F422 HydrophobicContact CG2-CD2 4.4Å; I409-F422 HydrophobicContact CG2-CE1 4.06Å; I409-F422 HydrophobicContact CG2-CE2 3.3Å; I409-F422 HydrophobicContact CG2-CZ 3.08Å; I409-F422 WeakPolarHBondContact O-CD2 3.2Å; I409-F422 WeakPolarHBondContact O-CE2 3.2Å; I409-M426 HydrophobicContact CD1-CE 4.46Å; I409-M426 HydrophobicContact CD1-CG 3.96Å; I409-V433 HydrophobicContact CD1-CB 4.39Å; I409-V433 HydrophobicContact CD1-CG1 4.09Å; I409-G435 WeakPolarHBondContact CA-O 3.28Å; I409-G435 WeakPolarHBondContact CB-O 3.38Å; I409-G435 WeakPolarHBondContact CG2-O 3.28Å; I409-V437 HydrophobicContact CG2-CG2 3.93Å
410	K	91.7	Very high	87.7	Confident	43 Å²	43	46.7 Å²	46.7	19%	0.187	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.9	-168.6	-66.8	-174.4	-171.9	172.5	0	109	F362 Y412 F417 D420 G435 V437	F362-K410 HydrophobicContact CE2-CB 4.38Å; F362-K410 HydrophobicContact CE2-CD 3.77Å; F362-K410 HydrophobicContact CE2-CG 4.29Å; F362-K410 HydrophobicContact CZ-CB 4.15Å; F362-K410 HydrophobicContact CZ-CD 3.81Å; F362-K410 HydrophobicContact CZ-CG 3.91Å; K410-Y412 HydrophobicContact CB-CD2 4.27Å; K410-Y412 HydrophobicContact CB-CE2 3.47Å; K410-Y412 VanDerWaalsContact CB-CE2 3.47Å; K410-Y412 WeakPolarHBondContact O-CD2 3.37Å; K410-F417 HydrophobicContact CB-CD2 4.08Å; K410-F417 HydrophobicContact CB-CE2 3.82Å; K410-F417 HydrophobicContact CD-CD2 4.31Å; K410-F417 HydrophobicContact CD-CE2 3.96Å; K410-F417 HydrophobicContact CG-CD2 4.46Å; K410-F417 HydrophobicContact CG-CE2 3.87Å; K410-D420 HydrophobicContact CG-CB 4.34Å; K410-G435 PolarHBondContact N-O 3.4Å; K410-G435 VanDerWaalsContact N-O 3.13Å; K410-V437 PolarHBondContact O-N 3.18Å
411	L	92.1	Very high	87.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.2	176.1	-178.6	65.4	0	0	0	109.5	I418 T419 M425 V437 L442 L451	L411-I418 PolarHBondContact O-N 2.85Å; L411-T419 HydrophobicContact CB-CG2 4.16Å; L411-T419 WeakPolarHBondContact CB-O 3.48Å; L411-T419 HydrophobicContact CD2-CG2 4.11Å; L411-T419 PolarHBondContact N-O 2.9Å; L411-M425 HydrophobicContact CB-CE 4.13Å; L411-M425 HydrophobicContact CB-SD 4.23Å; L411-M425 HydrophobicContact CD2-SD 4.29Å; L411-V437 CarbonylContact C-O 3.49Å; L411-V437 WeakPolarHBondContact CA-O 3.33Å; L411-V437 HydrophobicContact CD1-CB 4Å; L411-V437 HydrophobicContact CD1-CG1 3.78Å; L411-L442 HydrophobicContact CD1-CD1 4.06Å; L411-L451 HydrophobicContact CD2-CD1 4.03Å; L411-L451 HydrophobicContact CD2-CD2 4.17Å; L411-L451 HydrophobicContact CD2-CG 4.15Å
412	Y	92.1	Very high	86.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.5	172.8	-64.4	-94	0	0	0	109.2	F274 K410 V416 F417 V436 V437 D438 S439	F274-Y412 HydrophobicContact CD2-CD1 4.16Å; F274-Y412 AromaticContact CD2-CE1 3.55Å; F274-Y412 HydrophobicContact CD2-CE1 3.55Å; F274-Y412 HydrophobicContact CD2-CE2 4.35Å; F274-Y412 AromaticContact CD2-CZ 3.69Å; F274-Y412 AromaticContact CE2-CE1 3.98Å; F274-Y412 HydrophobicContact CE2-CE1 3.98Å; F274-Y412 HydrophobicContact CE2-CE2 4.15Å; F274-Y412 AromaticContact CE2-CZ 3.6Å; F274-Y412 WeakPolarHBondContact CE2-OH 3.46Å; K410-Y412 HydrophobicContact CB-CD2 4.27Å; K410-Y412 HydrophobicContact CB-CE2 3.47Å; K410-Y412 VanDerWaalsContact CB-CE2 3.47Å; K410-Y412 WeakPolarHBondContact O-CD2 3.37Å; Y412-V416 CarbonylContact C-O 3.58Å; Y412-V416 VanDerWaalsContact CA-O 3.23Å; Y412-V416 WeakPolarHBondContact CA-O 3.48Å; Y412-F417 HydrophobicContact CD1-CB 4.04Å; Y412-F417 HydrophobicContact CE1-CB 3.61Å; Y412-F417 HydrophobicContact CE1-CD2 4.14Å; Y412-F417 HydrophobicContact CE1-CG 4.36Å; Y412-F417 HydrophobicContact CE2-CD2 4.47Å; Y412-F417 AromaticContact CZ-CD2 3.97Å; Y412-V436 HydrophobicContact CD2-CB 4.46Å; Y412-V436 HydrophobicContact CE2-CB 4.45Å; Y412-V436 HydrophobicContact CE2-CG1 4.02Å; Y412-V437 PolarHBondContact N-O 3.41Å; Y412-D438 WeakPolarHBondContact CB-OD1 3.22Å; Y412-D438 WeakPolarHBondContact O-CA 3.39Å; Y412-S439 PolarHBondContact O-N 3.06Å
413	V	90.2	Very high	86.2	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.8	166.4	173.7	0	0	0	0	107.4	R415 V416 I418 S439 L442 L444	V413-R415 PolarHBondContact O-N 3.25Å; V413-V416 PolarHBondContact N-O 3.28Å; V413-V416 PolarHBondContact O-N 3.21Å; V413-V416 VanDerWaalsContact O-N 3.08Å; V413-I418 HydrophobicContact CB-CD1 4.16Å; V413-I418 HydrophobicContact CB-CG1 3.89Å; V413-I418 HydrophobicContact CG2-CG1 3.83Å; V413-S439 CarbonylContact C-O 3.22Å; V413-S439 WeakPolarHBondContact CA-O 3.49Å; V413-S439 WeakPolarHBondContact CG1-O 3.4Å; V413-L442 HydrophobicContact CG2-CB 3.83Å; V413-L442 HydrophobicContact CG2-CD1 4.01Å; V413-L442 HydrophobicContact CG2-CG 4.5Å; V413-L444 HydrophobicContact CB-CD1 4.14Å; V413-L444 HydrophobicContact CB-CD2 4.16Å; V413-L444 HydrophobicContact CB-CG 4.4Å; V413-L444 HydrophobicContact CG1-CD1 3.96Å; V413-L444 HydrophobicContact CG1-CD2 4.38Å; V413-L444 HydrophobicContact CG1-CG 4.15Å; V413-L444 HydrophobicContact CG2-CD2 3.82Å; V413-L444 HydrophobicContact CG2-CG 4.47Å
414	R	87.1	Confident	85.6	Confident	51 Å²	51	42.2 Å²	42.2	19%	0.192	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	45.5	-171.6	-58.3	178.3	-179	-113.8	-14.2	111.3	S189 L191 I192 V416 D438 S439 D440	S189-R414 PolarHBondContact O-NH1 3.46Å; S189-R414 VanDerWaalsContact O-NH1 3.07Å; L191-R414 VanDerWaalsContact O-CD 3.28Å; L191-R414 WeakPolarHBondContact O-CD 3.29Å; L191-R414 PolarHBondContact O-NH1 3.49Å; I192-R414 HydrophobicContact CG1-CB 4.34Å; R414-V416 PolarHBondContact O-N 3.24Å; R414-V416 VanDerWaalsContact O-N 3.09Å; R414-D438 PolarHBondContact N-OD1 3.27Å; R414-S439 PolarHBondContact N-O 2.9Å; R414-D440 VanDerWaalsContact CZ-O 3.25Å; R414-D440 PolarHBondContact NE-O 3.11Å; R414-D440 PolarHBondContact NH2-O 3.12Å
415	R	88.9	Confident	85.5	Confident	33 Å²	33	37.3 Å²	37.3	13%	0.125	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	7.2	-180	-45.2	178.2	-167.4	-171.9	13	115.8	E190 F274 N276 V413 D438	E190-R415 IonicContact OE1-CZ 3.24Å; E190-R415 IonicContact OE1-NH1 3.82Å; E190-R415 IonicContact OE1-NH2 2.72Å; E190-R415 PolarHBondContact OE1-NH2 3.06Å; F274-R415 HydrophobicContact CB-CB 4.15Å; F274-R415 WeakPolarHBondContact O-CB 3.45Å; F274-R415 WeakPolarHBondContact O-CD 3.38Å; N276-R415 PolarHBondContact OD1-NH1 3.39Å; V413-R415 PolarHBondContact O-N 3.25Å; R415-D438 PolarHBondContact N-OD1 3.45Å
416	V	87.6	Confident	86.1	Confident	4 Å²	4	31 Å²	31	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.6	173.4	-178.1	0	0	0	0	109.5	R102 I192 Y412 V413 R414 I418	R102-V416 HydrophobicContact CG-CG1 3.91Å; I192-V416 HydrophobicContact CD1-CG2 3.61Å; I192-V416 HydrophobicContact CG1-CG2 4.12Å; I192-V416 HydrophobicContact CG2-CG2 4.1Å; Y412-V416 CarbonylContact C-O 3.58Å; Y412-V416 VanDerWaalsContact CA-O 3.23Å; Y412-V416 WeakPolarHBondContact CA-O 3.48Å; V413-V416 PolarHBondContact N-O 3.28Å; V413-V416 PolarHBondContact O-N 3.21Å; V413-V416 VanDerWaalsContact O-N 3.08Å; R414-V416 PolarHBondContact O-N 3.24Å; R414-V416 VanDerWaalsContact O-N 3.09Å; V416-I418 PolarHBondContact O-N 3.05Å
417	F	91	Very high	86.6	Confident	10 Å²	10	31 Å²	31	4%	0.044	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	130.3	178.7	178	-108.4	0	0	0	111.2	K270 Y271 K410 Y412 D420	K270-F417 HydrophobicContact CG-CD1 4.47Å; K270-F417 WeakPolarHBondContact O-CB 3.42Å; Y271-F417 HydrophobicContact CD1-CB 4.32Å; Y271-F417 AromaticContact CD1-CD1 3.76Å; Y271-F417 HydrophobicContact CD1-CD1 3.76Å; Y271-F417 AromaticContact CE1-CD1 3.79Å; Y271-F417 HydrophobicContact CE1-CD1 3.79Å; Y271-F417 HydrophobicContact CE1-CE1 4.34Å; Y271-F417 PolarHBondContact O-N 2.77Å; K410-F417 HydrophobicContact CB-CD2 4.08Å; K410-F417 HydrophobicContact CB-CE2 3.82Å; K410-F417 HydrophobicContact CD-CD2 4.31Å; K410-F417 HydrophobicContact CD-CE2 3.96Å; K410-F417 HydrophobicContact CG-CD2 4.46Å; K410-F417 HydrophobicContact CG-CE2 3.87Å; Y412-F417 HydrophobicContact CD1-CB 4.04Å; Y412-F417 HydrophobicContact CE1-CB 3.61Å; Y412-F417 HydrophobicContact CE1-CD2 4.14Å; Y412-F417 HydrophobicContact CE1-CG 4.36Å; Y412-F417 HydrophobicContact CE2-CD2 4.47Å; Y412-F417 AromaticContact CZ-CD2 3.97Å; F417-D420 HydrophobicContact CE2-CB 4.15Å; F417-D420 HydrophobicContact CZ-CB 3.92Å
418	I	89.7	Confident	86.9	Confident	8 Å²	8	31 Å²	31	4%	0.041	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-58.6	179.8	-55.1	-56.7	0	0	0	110.6	L411 V413 V416 L444	L411-I418 PolarHBondContact O-N 2.85Å; V413-I418 HydrophobicContact CB-CD1 4.16Å; V413-I418 HydrophobicContact CB-CG1 3.89Å; V413-I418 HydrophobicContact CG2-CG1 3.83Å; V416-I418 PolarHBondContact O-N 3.05Å; I418-L444 HydrophobicContact CD1-CD1 3.73Å; I418-L444 HydrophobicContact CD1-CD2 3.83Å; I418-L444 HydrophobicContact CD1-CG 4.46Å; I418-L444 HydrophobicContact CG1-CD2 3.95Å; I418-L444 HydrophobicContact CG2-CD2 4.02Å
419	T	87.8	Confident	87.1	Confident	30 Å²	30	28.8 Å²	28.8	18%	0.184	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	153.6	-175.9	-170.7	0	0	0	0	111.6	L411 D421 M425	L411-T419 HydrophobicContact CB-CG2 4.16Å; L411-T419 WeakPolarHBondContact CB-O 3.48Å; L411-T419 HydrophobicContact CD2-CG2 4.11Å; L411-T419 PolarHBondContact N-O 2.9Å; T419-D421 WeakPolarHBondContact OG1-CB 3.36Å; T419-D421 PolarHBondContact OG1-N 3.27Å; T419-M425 HydrophobicContact CG2-CE 4.42Å
420	D	86.5	Confident	87.2	Confident	61 Å²	61	28.8 Å²	28.8	33%	0.326	14%	0.14	S	C	.	.			trans	-112.1	8.7	168.6	53.1	13.9	0	0	0	111.6	D407 K410 F417 F422	D407-D420 HydrophobicContact CB-CB 4.23Å; K410-D420 HydrophobicContact CG-CB 4.34Å; F417-D420 HydrophobicContact CE2-CB 4.15Å; F417-D420 HydrophobicContact CZ-CB 3.92Å; D420-F422 PolarHBondContact O-N 3.36Å
421	D	78.8	Confident	87.3	Confident	54 Å²	54	28.1 Å²	28.1	29%	0.289	14%	0.138	S	C	.	.			trans	-70.8	94.3	179.8	-163.3	-13.4	0	0	0	110.9	K405 T419 M425	K405-D421 IonicContact NZ-OD1 3.26Å; K405-D421 IonicContact NZ-OD2 2.88Å; K405-D421 PolarHBondContact NZ-OD2 2.95Å; T419-D421 WeakPolarHBondContact OG1-CB 3.36Å; T419-D421 PolarHBondContact OG1-N 3.27Å; D421-M425 WeakPolarHBondContact O-CE 3.22Å
422	F	73	Confident	87.5	Confident	5 Å²	5	28.1 Å²	28.1	2%	0.022	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-88.7	-7.4	-166.9	-120.8	-89.3	0	0	0	115.6	S406 I409 D420 D424 M425 M426 L464	S406-F422 WeakPolarHBondContact O-CB 3.44Å; I409-F422 HydrophobicContact CB-CD2 4.12Å; I409-F422 HydrophobicContact CB-CE1 4.07Å; I409-F422 HydrophobicContact CB-CE2 3.45Å; I409-F422 VanDerWaalsContact CB-CE2 3.45Å; I409-F422 HydrophobicContact CB-CZ 3.43Å; I409-F422 VanDerWaalsContact CB-CZ 3.43Å; I409-F422 HydrophobicContact CD1-CD1 3.93Å; I409-F422 HydrophobicContact CD1-CE1 3.22Å; I409-F422 HydrophobicContact CD1-CE2 4.28Å; I409-F422 HydrophobicContact CD1-CZ 3.45Å; I409-F422 VanDerWaalsContact CD1-CZ 3.45Å; I409-F422 HydrophobicContact CG1-CD1 3.67Å; I409-F422 HydrophobicContact CG1-CD2 3.87Å; I409-F422 HydrophobicContact CG1-CE1 3.26Å; I409-F422 HydrophobicContact CG1-CE2 3.5Å; I409-F422 VanDerWaalsContact CG1-CE2 3.5Å; I409-F422 HydrophobicContact CG1-CG 3.96Å; I409-F422 HydrophobicContact CG1-CZ 3.18Å; I409-F422 HydrophobicContact CG2-CD2 4.4Å; I409-F422 HydrophobicContact CG2-CE1 4.06Å; I409-F422 HydrophobicContact CG2-CE2 3.3Å; I409-F422 HydrophobicContact CG2-CZ 3.08Å; I409-F422 WeakPolarHBondContact O-CD2 3.2Å; I409-F422 WeakPolarHBondContact O-CE2 3.2Å; D420-F422 PolarHBondContact O-N 3.36Å; F422-D424 PolarHBondContact O-N 3.31Å; F422-D424 VanDerWaalsContact O-N 3.08Å; F422-M425 HydrophobicContact CD1-CB 3.83Å; F422-M425 HydrophobicContact CD2-CE 3.63Å; F422-M425 HydrophobicContact CE1-CB 3.43Å; F422-M425 VanDerWaalsContact CE1-CB 3.43Å; F422-M425 HydrophobicContact CE2-CB 4.2Å; F422-M425 HydrophobicContact CE2-CE 3.34Å; F422-M425 HydrophobicContact CE2-SD 4.06Å; F422-M425 HydrophobicContact CG-CB 4.37Å; F422-M425 HydrophobicContact CG-CE 4.37Å; F422-M425 HydrophobicContact CZ-CB 3.62Å; F422-M425 HydrophobicContact CZ-CE 3.91Å; F422-M425 HydrophobicContact CZ-CG 4.45Å; F422-M425 HydrophobicContact CZ-SD 4.06Å; F422-M425 PolarHBondContact O-N 2.88Å; F422-M426 HydrophobicContact CD1-CB 3.68Å; F422-M426 HydrophobicContact CD1-CG 3.87Å; F422-M426 HydrophobicContact CE1-CB 3.79Å; F422-M426 HydrophobicContact CE1-CG 3.43Å; F422-M426 VanDerWaalsContact CE1-CG 3.43Å; F422-M426 PolarHBondContact O-N 3.37Å; F422-L464 HydrophobicContact CE1-CD1 4.49Å; F422-L464 HydrophobicContact CZ-CD1 4.47Å
423	H	75.1	Confident	87.7	Confident	114 Å²	114	28.2 Å²	28.2	53%	0.528	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-58.5	-29.6	-174.7	-173.3	-85.9	0	0	0	112.3
424	D	72.9	Confident	87.9	Confident	53 Å²	53	28.2 Å²	28.2	28%	0.283	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-91.3	-18.5	177.1	-74.9	-43.4	0	0	0	114.4	F422 H454 L457 R461	F422-D424 PolarHBondContact O-N 3.31Å; F422-D424 VanDerWaalsContact O-N 3.08Å; D424-H454 IonicContact OD1-CE1 3.64Å; D424-H454 PolarHBondContact OD1-CE1 2.86Å; D424-H454 IonicContact OD1-NE2 3.69Å; D424-H454 PolarHBondContact OD1-NE2 3.44Å; D424-H454 IonicContact OD2-CD2 2.86Å; D424-H454 IonicContact OD2-CE1 2.85Å; D424-H454 IonicContact OD2-NE2 3.63Å; D424-H454 PolarHBondContact OD2-NE2 3.45Å; D424-L457 HydrophobicContact CB-CD1 4.1Å; D424-R461 WeakPolarHBondContact O-CD 3.44Å; D424-R461 PolarHBondContact O-NH1 3.42Å
425	M	80.1	Confident	88.3	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-29.4	-172.2	-71.8	-171.1	-77.7	0	0	114.3	L411 T419 D421 F422 L457 R461 L464	L411-M425 HydrophobicContact CB-CE 4.13Å; L411-M425 HydrophobicContact CB-SD 4.23Å; L411-M425 HydrophobicContact CD2-SD 4.29Å; T419-M425 HydrophobicContact CG2-CE 4.42Å; D421-M425 WeakPolarHBondContact O-CE 3.22Å; F422-M425 HydrophobicContact CD1-CB 3.83Å; F422-M425 HydrophobicContact CD2-CE 3.63Å; F422-M425 HydrophobicContact CE1-CB 3.43Å; F422-M425 VanDerWaalsContact CE1-CB 3.43Å; F422-M425 HydrophobicContact CE2-CB 4.2Å; F422-M425 HydrophobicContact CE2-CE 3.34Å; F422-M425 HydrophobicContact CE2-SD 4.06Å; F422-M425 HydrophobicContact CG-CB 4.37Å; F422-M425 HydrophobicContact CG-CE 4.37Å; F422-M425 HydrophobicContact CZ-CB 3.62Å; F422-M425 HydrophobicContact CZ-CE 3.91Å; F422-M425 HydrophobicContact CZ-CG 4.45Å; F422-M425 HydrophobicContact CZ-SD 4.06Å; F422-M425 PolarHBondContact O-N 2.88Å; M425-L457 HydrophobicContact CG-CD2 3.81Å; M425-L457 HydrophobicContact SD-CD2 4.07Å; M425-R461 VanDerWaalsContact O-CA 3.22Å; M425-R461 WeakPolarHBondContact O-CA 3.5Å; M425-R461 WeakPolarHBondContact O-CB 3.31Å; M425-R461 WeakPolarHBondContact O-CG 3.22Å; M425-L464 HydrophobicContact CB-CD1 4.49Å
426	M	90.1	Very high	88.6	Confident	10 Å²	10	24.2 Å²	24.2	5%	0.049	12%	0.123	C	C	.	.	S	Bend	trans	-135.8	149.9	170	-76.6	-85.9	-86.5	0	0	111.8	I409 F422 L430 V433 L464 V465 T468	I409-M426 HydrophobicContact CD1-CE 4.46Å; I409-M426 HydrophobicContact CD1-CG 3.96Å; F422-M426 HydrophobicContact CD1-CB 3.68Å; F422-M426 HydrophobicContact CD1-CG 3.87Å; F422-M426 HydrophobicContact CE1-CB 3.79Å; F422-M426 HydrophobicContact CE1-CG 3.43Å; F422-M426 VanDerWaalsContact CE1-CG 3.43Å; F422-M426 PolarHBondContact O-N 3.37Å; M426-L430 HydrophobicContact CE-CB 3.34Å; M426-L430 HydrophobicContact CE-CD1 3.55Å; M426-L430 HydrophobicContact CE-CG 4.03Å; M426-L430 HydrophobicContact SD-CB 4.44Å; M426-L430 HydrophobicContact SD-CD1 4.03Å; M426-V433 HydrophobicContact CE-CB 3.92Å; M426-V433 HydrophobicContact CE-CG1 4.14Å; M426-V433 HydrophobicContact CE-CG2 3.9Å; M426-L464 HydrophobicContact CG-CD1 4.41Å; M426-L464 HydrophobicContact SD-CB 3.85Å; M426-V465 HydrophobicContact SD-CG2 3.85Å; M426-T468 HydrophobicContact CE-CG2 4.3Å
427	P	92.7	Very high	88.9	Confident	30 Å²	30	24 Å²	24	20%	0.195	12%	0.122	C	C	.	.			trans	-70.6	154.8	174.7	32.2	-36.3	0	0	0	111.3	Y429 L430 V465	P427-Y429 VanDerWaalsContact C-N 3.26Å; P427-Y429 HydrophobicContact CB-CD1 3.59Å; P427-Y429 HydrophobicContact CB-CE1 3.4Å; P427-Y429 VanDerWaalsContact CB-CE1 3.4Å; P427-Y429 HydrophobicContact CG-CD1 3.72Å; P427-Y429 HydrophobicContact CG-CE1 3.19Å; P427-Y429 PolarHBondContact O-N 2.97Å; P427-L430 HydrophobicContact CG-CB 4.32Å; P427-L430 HydrophobicContact CG-CD1 3.83Å; P427-L430 HydrophobicContact CG-CG 4.07Å; P427-L430 PolarHBondContact O-N 2.86Å; P427-V465 HydrophobicContact CG-CG2 3.8Å
428	K	93.1	Very high	89.1	Confident	86 Å²	86	23.7 Å²	23.7	37%	0.374	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-55.4	-39.2	-175.2	-63.7	177.4	175.4	-171.8	0	112.9	Y401 G402 L430 N431	Y401-K428 HydrophobicContact CE1-CB 4.43Å; Y401-K428 HydrophobicContact CE2-CB 4.27Å; Y401-K428 WeakPolarHBondContact OH-CB 3.18Å; G402-K428 WeakPolarHBondContact O-CE 3.47Å; G402-K428 PolarHBondContact O-NZ 3.01Å; K428-L430 PolarHBondContact O-N 2.83Å; K428-L430 VanDerWaalsContact O-N 3.13Å; K428-N431 WeakPolarHBondContact O-CB 3.15Å; K428-N431 PolarHBondContact O-N 3.44Å; K428-N431 VanDerWaalsContact O-N 3.08Å; K428-N431 PolarHBondContact O-OD1 3.39Å
429	Y	95.3	Very high	89.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-64.8	-16.6	178.5	76.8	-91	0	0	0	114.2	Y401 P427 F432 N491 D499 L506	Y401-Y429 PolarHBondContact OH-N 2.89Å; P427-Y429 VanDerWaalsContact C-N 3.26Å; P427-Y429 HydrophobicContact CB-CD1 3.59Å; P427-Y429 HydrophobicContact CB-CE1 3.4Å; P427-Y429 VanDerWaalsContact CB-CE1 3.4Å; P427-Y429 HydrophobicContact CG-CD1 3.72Å; P427-Y429 HydrophobicContact CG-CE1 3.19Å; P427-Y429 PolarHBondContact O-N 2.97Å; Y429-F432 WeakPolarHBondContact O-CE1 3.48Å; Y429-N491 WeakPolarHBondContact CB-O 3.25Å; Y429-N491 VanDerWaalsContact O-CB 3.29Å; Y429-N491 WeakPolarHBondContact O-CB 3.47Å; Y429-N491 PolarHBondContact O-ND2 3.18Å; Y429-D499 HydrophobicContact CD1-CB 4.43Å; Y429-D499 HydrophobicContact CE1-CB 3.62Å; Y429-D499 PolarHBondContact OH-OD2 3.47Å; Y429-L506 HydrophobicContact CE2-CD1 4.15Å; Y429-L506 HydrophobicContact CE2-CD2 3.9Å
430	L	96	Very high	89.1	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-104.7	21.6	175.4	-59.9	175.1	0	0	0	112.8	M426 P427 K428 F432 V433 V465 T468 I472	M426-L430 HydrophobicContact CE-CB 3.34Å; M426-L430 HydrophobicContact CE-CD1 3.55Å; M426-L430 HydrophobicContact CE-CG 4.03Å; M426-L430 HydrophobicContact SD-CB 4.44Å; M426-L430 HydrophobicContact SD-CD1 4.03Å; P427-L430 HydrophobicContact CG-CB 4.32Å; P427-L430 HydrophobicContact CG-CD1 3.83Å; P427-L430 HydrophobicContact CG-CG 4.07Å; P427-L430 PolarHBondContact O-N 2.86Å; K428-L430 PolarHBondContact O-N 2.83Å; K428-L430 VanDerWaalsContact O-N 3.13Å; L430-F432 HydrophobicContact CD2-CE1 4.01Å; L430-F432 HydrophobicContact CD2-CZ 4.01Å; L430-F432 PolarHBondContact O-N 3.21Å; L430-V433 HydrophobicContact CB-CG2 4.14Å; L430-V433 WeakPolarHBondContact O-CG2 3.42Å; L430-V433 PolarHBondContact O-N 3.39Å; L430-V433 VanDerWaalsContact O-N 3.1Å; L430-V465 HydrophobicContact CD1-CG1 4.28Å; L430-V465 HydrophobicContact CD1-CG2 4.21Å; L430-T468 HydrophobicContact CD1-CG2 4.01Å; L430-T468 HydrophobicContact CD2-CG2 4.03Å; L430-I472 HydrophobicContact CD2-CD1 4.41Å
431	N	94.2	Very high	88.9	Confident	29 Å²	29	25.4 Å²	25.4	16%	0.155	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	0	180	70.1	-23.6	0	0	0	115.4	L397 Y408 K428 N491	L397-N431 WeakPolarHBondContact CD1-OD1 3.46Å; L397-N431 PolarHBondContact O-ND2 2.67Å; Y408-N431 WeakPolarHBondContact CD2-O 3.47Å; Y408-N431 VanDerWaalsContact CE2-O 3.25Å; Y408-N431 WeakPolarHBondContact CE2-O 3Å; K428-N431 WeakPolarHBondContact O-CB 3.15Å; K428-N431 PolarHBondContact O-N 3.44Å; K428-N431 VanDerWaalsContact O-N 3.08Å; K428-N431 PolarHBondContact O-OD1 3.39Å; N431-N491 PolarHBondContact OD1-ND2 2.79Å; N431-N491 VanDerWaalsContact OD1-ND2 3.14Å
432	F	95	Very high	89.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-15.9	173.1	61.6	-88.9	0	0	0	113.1	V389 P390 L397 Y429 L430 K434 I472 F484 F488 N491	V389-F432 HydrophobicContact CG1-CD2 4.45Å; V389-F432 HydrophobicContact CG1-CE2 4.14Å; V389-F432 HydrophobicContact CG2-CE2 4.47Å; P390-F432 VanDerWaalsContact CD-O 3.25Å; P390-F432 WeakPolarHBondContact CD-O 3.29Å; P390-F432 VanDerWaalsContact CG-O 3.32Å; P390-F432 WeakPolarHBondContact CG-O 3.32Å; L397-F432 HydrophobicContact CD1-CB 3.84Å; L397-F432 HydrophobicContact CD2-CB 4.27Å; Y429-F432 WeakPolarHBondContact O-CE1 3.48Å; L430-F432 HydrophobicContact CD2-CE1 4.01Å; L430-F432 HydrophobicContact CD2-CZ 4.01Å; L430-F432 PolarHBondContact O-N 3.21Å; F432-K434 PolarHBondContact O-N 3.42Å; F432-I472 HydrophobicContact CZ-CD1 4.32Å; F432-F484 HydrophobicContact CE2-CE2 4.36Å; F432-F484 HydrophobicContact CZ-CZ 4.44Å; F432-F488 HydrophobicContact CB-CD1 3.87Å; F432-F488 HydrophobicContact CB-CE1 3.49Å; F432-F488 VanDerWaalsContact CB-CE1 3.49Å; F432-F488 HydrophobicContact CB-CZ 4.35Å; F432-F488 AromaticContact CD1-CD1 3.84Å; F432-F488 HydrophobicContact CD1-CD1 3.84Å; F432-F488 HydrophobicContact CD1-CE1 4.34Å; F432-F488 HydrophobicContact CD1-CG 4.47Å; F432-F488 AromaticContact CD2-CD1 3.71Å; F432-F488 HydrophobicContact CD2-CD1 3.71Å; F432-F488 HydrophobicContact CD2-CD2 4.38Å; F432-F488 AromaticContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE2 4.35Å; F432-F488 HydrophobicContact CD2-CG 4.08Å; F432-F488 HydrophobicContact CD2-CZ 4Å; F432-F488 HydrophobicContact CE1-CB 4.44Å; F432-F488 HydrophobicContact CE1-CD1 4.29Å; F432-F488 HydrophobicContact CE1-CG 4.49Å; F432-F488 HydrophobicContact CE2-CD1 4.18Å; F432-F488 HydrophobicContact CE2-CD2 4.36Å; F432-F488 HydrophobicContact CE2-CE1 4.48Å; F432-F488 HydrophobicContact CE2-CG 4.11Å; F432-F488 AromaticContact CG-CD1 3.52Å; F432-F488 HydrophobicContact CG-CD1 3.52Å; F432-F488 AromaticContact CG-CE1 3.57Å; F432-F488 HydrophobicContact CG-CE1 3.57Å; F432-F488 HydrophobicContact CG-CG 4.26Å; F432-F488 HydrophobicContact CG-CZ 4.35Å; F432-F488 HydrophobicContact CZ-CB 4.35Å; F432-F488 HydrophobicContact CZ-CD1 4.45Å; F432-F488 HydrophobicContact CZ-CG 4.32Å; F432-N491 HydrophobicContact CD1-CB 4.04Å; F432-N491 HydrophobicContact CE1-CB 3.71Å
433	V	96.2	Very high	89.9	Confident	2 Å²	2	25 Å²	25	1%	0.012	13%	0.129	C	C	.	.			trans	-71	128.2	-176.1	179	0	0	0	0	109.2	L387 Y408 I409 M426 L430 T468	L387-V433 HydrophobicContact CB-CG1 4.07Å; L387-V433 HydrophobicContact CD2-CG1 4.38Å; Y408-V433 WeakPolarHBondContact CB-O 3.46Å; I409-V433 HydrophobicContact CD1-CB 4.39Å; I409-V433 HydrophobicContact CD1-CG1 4.09Å; M426-V433 HydrophobicContact CE-CB 3.92Å; M426-V433 HydrophobicContact CE-CG1 4.14Å; M426-V433 HydrophobicContact CE-CG2 3.9Å; L430-V433 HydrophobicContact CB-CG2 4.14Å; L430-V433 WeakPolarHBondContact O-CG2 3.42Å; L430-V433 PolarHBondContact O-N 3.39Å; L430-V433 VanDerWaalsContact O-N 3.1Å; V433-T468 HydrophobicContact CG2-CG2 3.79Å
434	K	95.5	Very high	90.3	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.039	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	156.2	176.2	-50.3	-165	-179.5	179.9	0	110.6	Y359 E365 L387 F388 P390 Y408 F432	Y359-K434 HydrophobicContact CE2-CB 4.38Å; Y359-K434 HydrophobicContact CE2-CD 4.07Å; E365-K434 IonicContact OE1-NZ 3.98Å; E365-K434 PolarHBondContact OE1-NZ 3.32Å; L387-K434 CarbonylContact C-O 3.54Å; L387-K434 WeakPolarHBondContact CA-O 3.44Å; F388-K434 PolarHBondContact N-O 3.03Å; F388-K434 PolarHBondContact O-N 3.33Å; P390-K434 HydrophobicContact CG-CD 4.24Å; P390-K434 HydrophobicContact CG-CG 4.01Å; Y408-K434 HydrophobicContact CD2-CG 4.39Å; Y408-K434 HydrophobicContact CG-CG 4.05Å; Y408-K434 CarbonylContact O-C 3.59Å; Y408-K434 VanDerWaalsContact O-CA 3.23Å; Y408-K434 WeakPolarHBondContact O-CA 3.41Å; F432-K434 PolarHBondContact O-N 3.42Å
435	G	95.1	Very high	90.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-166.6	174.2	0	0	0	0	0	116.5	F362 I386 Y408 I409 K410	F362-G435 WeakPolarHBondContact CE1-O 3.38Å; F362-G435 WeakPolarHBondContact CZ-O 3.25Å; I386-G435 CarbonylContact O-C 3.59Å; I386-G435 WeakPolarHBondContact O-CA 3.29Å; Y408-G435 PolarHBondContact O-N 2.84Å; I409-G435 WeakPolarHBondContact CA-O 3.28Å; I409-G435 WeakPolarHBondContact CB-O 3.38Å; I409-G435 WeakPolarHBondContact CG2-O 3.28Å; K410-G435 PolarHBondContact N-O 3.4Å; K410-G435 VanDerWaalsContact N-O 3.13Å
436	V	94.7	Very high	91	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.3	-179.1	-64.6	0	0	0	0	110.4	W343 F358 F362 S385 I386 Y412	W343-V436 HydrophobicContact CD2-CG2 4.06Å; W343-V436 HydrophobicContact CE3-CG2 3.59Å; W343-V436 HydrophobicContact CZ3-CB 4.4Å; W343-V436 HydrophobicContact CZ3-CG1 4.3Å; W343-V436 HydrophobicContact CZ3-CG2 3.89Å; F358-V436 HydrophobicContact CE1-CG1 4.43Å; F358-V436 HydrophobicContact CE1-CG2 4.44Å; F358-V436 HydrophobicContact CZ-CG1 3.99Å; F358-V436 HydrophobicContact CZ-CG2 4.28Å; F362-V436 HydrophobicContact CD2-CG1 3.92Å; F362-V436 HydrophobicContact CE1-CG1 4.3Å; F362-V436 HydrophobicContact CE2-CG1 3.37Å; F362-V436 HydrophobicContact CZ-CG1 3.61Å; S385-V436 VanDerWaalsContact CA-O 3.24Å; S385-V436 WeakPolarHBondContact CA-O 3.16Å; S385-V436 WeakPolarHBondContact CB-O 3.33Å; S385-V436 PolarHBondContact OG-O 3.46Å; I386-V436 HydrophobicContact CB-CG2 4.2Å; I386-V436 PolarHBondContact N-O 3.25Å; I386-V436 PolarHBondContact O-N 2.89Å; Y412-V436 HydrophobicContact CD2-CB 4.46Å; Y412-V436 HydrophobicContact CE2-CB 4.45Å; Y412-V436 HydrophobicContact CE2-CG1 4.02Å
437	V	94.8	Very high	90.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.2	171.1	-179.4	0	0	0	0	106.6	F383 I409 K410 L411 Y412 I460 L464	F383-V437 HydrophobicContact CB-CG1 4.35Å; F383-V437 HydrophobicContact CD2-CG1 3.72Å; F383-V437 HydrophobicContact CE2-CG1 4.23Å; F383-V437 HydrophobicContact CG-CG1 4.17Å; I409-V437 HydrophobicContact CG2-CG2 3.93Å; K410-V437 PolarHBondContact O-N 3.18Å; L411-V437 CarbonylContact C-O 3.49Å; L411-V437 WeakPolarHBondContact CA-O 3.33Å; L411-V437 HydrophobicContact CD1-CB 4Å; L411-V437 HydrophobicContact CD1-CG1 3.78Å; Y412-V437 PolarHBondContact N-O 3.41Å; V437-I460 HydrophobicContact CG1-CG2 4.32Å; V437-L464 HydrophobicContact CG2-CD1 4.15Å; V437-L464 HydrophobicContact CG2-CD2 3.85Å
438	D	94.1	Very high	90.3	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.9	179.4	-171.1	30.1	0	0	0	110.2	W343 Q344 F383 K384 Y412 R414 R415	W343-D438 HydrophobicContact CZ2-CB 4.45Å; W343-D438 PolarHBondContact NE1-OD2 3.36Å; Q344-D438 PolarHBondContact NE2-OD2 2.83Å; F383-D438 CarbonylContact C-O 3.49Å; F383-D438 WeakPolarHBondContact CA-O 3.27Å; F383-D438 WeakPolarHBondContact CB-O 3.42Å; K384-D438 PolarHBondContact N-O 3.49Å; K384-D438 PolarHBondContact O-N 2.94Å; Y412-D438 WeakPolarHBondContact CB-OD1 3.22Å; Y412-D438 WeakPolarHBondContact O-CA 3.39Å; R414-D438 PolarHBondContact N-OD1 3.27Å; R415-D438 PolarHBondContact N-OD1 3.45Å
439	S	91.5	Very high	89.9	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.7	-178.4	-140	0	0	0	0	109.6	T382 Y412 V413 R414 D441 L442	T382-S439 PolarHBondContact O-OG 3.45Å; Y412-S439 PolarHBondContact O-N 3.06Å; V413-S439 CarbonylContact C-O 3.22Å; V413-S439 WeakPolarHBondContact CA-O 3.49Å; V413-S439 WeakPolarHBondContact CG1-O 3.4Å; R414-S439 PolarHBondContact N-O 2.9Å; S439-D441 PolarHBondContact OG-OD1 3.35Å; S439-L442 VanDerWaalsContact CB-CD1 3.44Å; S439-L442 WeakPolarHBondContact OG-CG 3.4Å
440	D	86.8	Confident	89.3	Confident	53 Å²	53	23.2 Å²	23.2	28%	0.283	13%	0.129	S	C	.	.	S	Bend	trans	-95.2	-14.9	177.4	-63.8	-41.6	0	0	0	112.6	R414	R414-D440 VanDerWaalsContact CZ-O 3.25Å; R414-D440 PolarHBondContact NE-O 3.11Å; R414-D440 PolarHBondContact NH2-O 3.12Å
441	D	82.8	Confident	88.7	Confident	82 Å²	82	24.2 Å²	24.2	44%	0.439	13%	0.134	S	C	.	.	S	Bend	trans	-120.3	1.9	-163.6	61.7	-9.6	0	0	0	114.7	T382 S439	T382-D441 PolarHBondContact N-OD2 3.22Å; S439-D441 PolarHBondContact OG-OD1 3.35Å
442	L	86	Confident	88.1	Confident	10 Å²	10	29.6 Å²	29.6	5%	0.052	16%	0.159	C	C	.	.			trans	-71	129.3	-177.2	-77.4	174.8	0	0	0	112.1	V381 L411 V413 S439 L444 L451 L456 I460	V381-L442 HydrophobicContact CG1-CD2 3.78Å; V381-L442 HydrophobicContact CG1-CG 4.46Å; L411-L442 HydrophobicContact CD1-CD1 4.06Å; V413-L442 HydrophobicContact CG2-CB 3.83Å; V413-L442 HydrophobicContact CG2-CD1 4.01Å; V413-L442 HydrophobicContact CG2-CG 4.5Å; S439-L442 VanDerWaalsContact CB-CD1 3.44Å; S439-L442 WeakPolarHBondContact OG-CG 3.4Å; L442-L444 PolarHBondContact O-N 2.87Å; L442-L451 HydrophobicContact CB-CD2 4.12Å; L442-L451 HydrophobicContact CD1-CD1 4.11Å; L442-L451 HydrophobicContact CD1-CD2 4.32Å; L442-L451 HydrophobicContact CD2-CD1 4.29Å; L442-L456 HydrophobicContact CD2-CB 4.28Å; L442-L456 HydrophobicContact CD2-CD1 3.9Å; L442-I460 HydrophobicContact CD1-CD1 4.11Å; L442-I460 HydrophobicContact CD2-CD1 4.27Å
443	P	84.9	Confident	87.3	Confident	40 Å²	40	34.6 Å²	34.6	26%	0.26	18%	0.182	S	C	.	.			trans	-72.2	103.8	177.7	29	-33.6	0	0	0	110.3	Q452 Q453 L456	P443-Q452 HydrophobicContact CB-CB 4.45Å; P443-Q452 PolarHBondContact O-N 3.16Å; P443-Q453 HydrophobicContact CG-CB 4.46Å; P443-Q453 HydrophobicContact CG-CG 4.33Å; P443-L456 HydrophobicContact CG-CD1 3.71Å
444	L	85.2	Confident	86.5	Confident	19 Å²	19	38.8 Å²	38.8	10%	0.099	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-78	147.7	175.8	-63.7	-178.9	0	0	0	111.2	V413 I418 L442 R448 L451	V413-L444 HydrophobicContact CB-CD1 4.14Å; V413-L444 HydrophobicContact CB-CD2 4.16Å; V413-L444 HydrophobicContact CB-CG 4.4Å; V413-L444 HydrophobicContact CG1-CD1 3.96Å; V413-L444 HydrophobicContact CG1-CD2 4.38Å; V413-L444 HydrophobicContact CG1-CG 4.15Å; V413-L444 HydrophobicContact CG2-CD2 3.82Å; V413-L444 HydrophobicContact CG2-CG 4.47Å; I418-L444 HydrophobicContact CD1-CD1 3.73Å; I418-L444 HydrophobicContact CD1-CD2 3.83Å; I418-L444 HydrophobicContact CD1-CG 4.46Å; I418-L444 HydrophobicContact CG1-CD2 3.95Å; I418-L444 HydrophobicContact CG2-CD2 4.02Å; L442-L444 PolarHBondContact O-N 2.87Å; L444-R448 HydrophobicContact CD1-CB 4.24Å; L444-R448 HydrophobicContact CD1-CG 4.08Å; L444-L451 HydrophobicContact CD2-CD2 3.61Å
445	N	84.8	Confident	86	Confident	36 Å²	36	46.2 Å²	46.2	19%	0.193	23%	0.233	C	C	.	.			trans	-68.2	167.4	163.2	78.3	-15.5	0	0	0	110.7	S447 R448 E449 T450	N445-S447 PolarHBondContact ND2-OG 2.88Å; N445-S447 PolarHBondContact O-N 3.29Å; N445-S447 PolarHBondContact OD1-N 3.22Å; N445-S447 PolarHBondContact OD1-OG 3.34Å; N445-R448 PolarHBondContact O-N 3.08Å; N445-R448 WeakPolarHBondContact OD1-CA 3.21Å; N445-R448 PolarHBondContact OD1-N 3.13Å; N445-E449 PolarHBondContact OD1-N 2.96Å; N445-E449 VanDerWaalsContact OD1-N 3.15Å; N445-T450 WeakPolarHBondContact CB-O 3.35Å; N445-T450 PolarHBondContact N-O 3.31Å; N445-T450 PolarHBondContact ND2-OG1 3.46Å; N445-T450 PolarHBondContact OD1-N 3.16Å; N445-T450 PolarHBondContact OD1-O 3.15Å
446	V	83	Confident	85.6	Confident	60 Å²	60	46.9 Å²	46.9	36%	0.364	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.9	179.2	154.6	0	0	0	0	112.8	L93 F195 V197 R448	L93-V446 HydrophobicContact CD1-CB 4.38Å; L93-V446 HydrophobicContact CD1-CG1 3.4Å; L93-V446 HydrophobicContact CD2-CG1 3.48Å; L93-V446 VanDerWaalsContact CD2-CG1 3.48Å; L93-V446 HydrophobicContact CG-CG1 3.65Å; F195-V446 HydrophobicContact CD1-CG2 3.93Å; F195-V446 HydrophobicContact CE1-CG2 3.94Å; F195-V446 HydrophobicContact CG-CG2 4.42Å; F195-V446 HydrophobicContact CZ-CG2 4.45Å; V197-V446 HydrophobicContact CG2-CG1 4.4Å; V446-R448 PolarHBondContact O-N 3.33Å
447	S	84	Confident	85.2	Confident	12 Å²	12	47.8 Å²	47.8	8%	0.084	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.3	176.7	78.7	0	0	0	0	113.5	R102 N445 E449	R102-S447 PolarHBondContact NH2-O 3.36Å; N445-S447 PolarHBondContact ND2-OG 2.88Å; N445-S447 PolarHBondContact O-N 3.29Å; N445-S447 PolarHBondContact OD1-N 3.22Å; N445-S447 PolarHBondContact OD1-OG 3.34Å; S447-E449 PolarHBondContact O-N 3.33Å; S447-E449 PolarHBondContact OG-N 2.97Å
448	R	83.7	Confident	84.9	Confident	24 Å²	24	52.9 Å²	52.9	9%	0.091	26%	0.264	C	S	.	.	S	Bend	trans	51.4	32	-170	-55.7	175.1	176.4	-100.5	7.1	113.4	R102 I192 F195 L444 N445 V446	R102-R448 PolarHBondContact NH1-O 2.94Å; I192-R448 PolarHBondContact O-NH1 3.06Å; I192-R448 VanDerWaalsContact O-NH1 3.15Å; I192-R448 PolarHBondContact O-NH2 3.46Å; F195-R448 HydrophobicContact CE2-CG 4.2Å; L444-R448 HydrophobicContact CD1-CB 4.24Å; L444-R448 HydrophobicContact CD1-CG 4.08Å; N445-R448 PolarHBondContact O-N 3.08Å; N445-R448 WeakPolarHBondContact OD1-CA 3.21Å; N445-R448 PolarHBondContact OD1-N 3.13Å; V446-R448 PolarHBondContact O-N 3.33Å
449	E	84.1	Confident	84.7	Confident	29 Å²	29	54.2 Å²	54.2	14%	0.136	27%	0.272	C	S	.	.	S	Bend	trans	-111.5	-20.9	175.1	-63.6	-176.1	158	0	0	111.9	N96 I99 N445 S447	N96-E449 PolarHBondContact ND2-OE1 3.1Å; I99-E449 WeakPolarHBondContact CG2-OE1 3.35Å; N445-E449 PolarHBondContact OD1-N 2.96Å; N445-E449 VanDerWaalsContact OD1-N 3.15Å; S447-E449 PolarHBondContact O-N 3.33Å; S447-E449 PolarHBondContact OG-N 2.97Å
450	T	82.8	Confident	84.7	Confident	77 Å²	77	54.1 Å²	54.1	47%	0.472	27%	0.272	S	S	.	.	S	Bend	trans	-136.5	158.9	177.5	68.8	0	0	0	0	111.4	N445	N445-T450 WeakPolarHBondContact CB-O 3.35Å; N445-T450 PolarHBondContact N-O 3.31Å; N445-T450 PolarHBondContact ND2-OG1 3.46Å; N445-T450 PolarHBondContact OD1-N 3.16Å; N445-T450 PolarHBondContact OD1-O 3.15Å
451	L	83	Confident	85	Confident	22 Å²	22	55 Å²	55	12%	0.115	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-80.2	143.9	173	-59	-171.5	0	0	0	110.5	L411 L442 L444 L457	L411-L451 HydrophobicContact CD2-CD1 4.03Å; L411-L451 HydrophobicContact CD2-CD2 4.17Å; L411-L451 HydrophobicContact CD2-CG 4.15Å; L442-L451 HydrophobicContact CB-CD2 4.12Å; L442-L451 HydrophobicContact CD1-CD1 4.11Å; L442-L451 HydrophobicContact CD1-CD2 4.32Å; L442-L451 HydrophobicContact CD2-CD1 4.29Å; L444-L451 HydrophobicContact CD2-CD2 3.61Å; L451-L457 HydrophobicContact CD1-CD2 3.42Å; L451-L457 VanDerWaalsContact CD1-CD2 3.42Å; L451-L457 HydrophobicContact CD1-CG 3.9Å; L451-L457 HydrophobicContact CG-CD2 4.37Å
452	Q	81.5	Confident	85.5	Confident	143 Å²	143	58.7 Å²	58.7	67%	0.668	28%	0.283	S	S	*	.	S	Bend	trans	-70.3	-32.8	177.8	-168.9	178.3	8.7	0	0	112.3	P443	P443-Q452 HydrophobicContact CB-CB 4.45Å; P443-Q452 PolarHBondContact O-N 3.16Å
453	Q	78.6	Confident	85.9	Confident	104 Å²	104	60.5 Å²	60.5	49%	0.486	29%	0.29	S	S	.	.			trans	-115.1	104.8	-176.1	-65.9	-172.6	-5.1	0	0	112.4	P443 K455 L456	P443-Q453 HydrophobicContact CG-CB 4.46Å; P443-Q453 HydrophobicContact CG-CG 4.33Å; Q453-K455 PolarHBondContact O-N 3.46Å; Q453-L456 HydrophobicContact CB-CD1 4.19Å; Q453-L456 HydrophobicContact CB-CG 4.11Å; Q453-L456 PolarHBondContact O-N 3.22Å
454	H	78.8	Confident	86.4	Confident	90 Å²	90	58.6 Å²	58.6	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-24.6	178	-160.9	-87	0	0	0	113.9	D424 L456 L457	D424-H454 IonicContact OD1-CE1 3.64Å; D424-H454 PolarHBondContact OD1-CE1 2.86Å; D424-H454 IonicContact OD1-NE2 3.69Å; D424-H454 PolarHBondContact OD1-NE2 3.44Å; D424-H454 IonicContact OD2-CD2 2.86Å; D424-H454 IonicContact OD2-CE1 2.85Å; D424-H454 IonicContact OD2-NE2 3.63Å; D424-H454 PolarHBondContact OD2-NE2 3.45Å; H454-L456 VanDerWaalsContact C-N 3.3Å; H454-L456 PolarHBondContact O-N 3.08Å; H454-L457 WeakPolarHBondContact O-CB 3.35Å; H454-L457 PolarHBondContact O-N 3.15Å
455	K	86.2	Confident	87	Confident	165 Å²	165	58 Å²	58	72%	0.717	28%	0.275	S	S	*	.	H	α-helix	trans	-59.8	-38.4	179.4	-67.9	-174.9	-178.6	178.5	0	112.5	Q453 L457 K458 V459	Q453-K455 PolarHBondContact O-N 3.46Å; K455-L457 VanDerWaalsContact C-N 3.3Å; K455-L457 PolarHBondContact O-N 3.22Å; K455-K458 WeakPolarHBondContact O-CB 3.48Å; K455-K458 PolarHBondContact O-N 3.31Å; K455-K458 VanDerWaalsContact O-N 3.15Å; K455-V459 PolarHBondContact O-N 3.39Å
456	L	86.9	Confident	87.5	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-34.7	-178.4	-56.5	-178.2	0	0	0	111.7	V381 L442 P443 Q453 H454 K458 V459 I460	V381-L456 HydrophobicContact CG2-CB 3.96Å; V381-L456 HydrophobicContact CG2-CD2 3.69Å; V381-L456 HydrophobicContact CG2-CG 4.24Å; L442-L456 HydrophobicContact CD2-CB 4.28Å; L442-L456 HydrophobicContact CD2-CD1 3.9Å; P443-L456 HydrophobicContact CG-CD1 3.71Å; Q453-L456 HydrophobicContact CB-CD1 4.19Å; Q453-L456 HydrophobicContact CB-CG 4.11Å; Q453-L456 PolarHBondContact O-N 3.22Å; H454-L456 VanDerWaalsContact C-N 3.3Å; H454-L456 PolarHBondContact O-N 3.08Å; L456-K458 VanDerWaalsContact C-N 3.29Å; L456-K458 PolarHBondContact O-N 2.9Å; L456-V459 WeakPolarHBondContact O-CB 3.42Å; L456-V459 PolarHBondContact O-N 3.32Å; L456-V459 VanDerWaalsContact O-N 3.1Å; L456-I460 WeakPolarHBondContact O-CG1 3.24Å; L456-I460 PolarHBondContact O-N 3.34Å
457	L	85.6	Confident	88.2	Confident	20 Å²	20	64.1 Å²	64.1	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-37.7	175.1	-66.8	176.5	0	0	0	112.2	D424 M425 L451 H454 K455 V459 I460 R461	D424-L457 HydrophobicContact CB-CD1 4.1Å; M425-L457 HydrophobicContact CG-CD2 3.81Å; M425-L457 HydrophobicContact SD-CD2 4.07Å; L451-L457 HydrophobicContact CD1-CD2 3.42Å; L451-L457 VanDerWaalsContact CD1-CD2 3.42Å; L451-L457 HydrophobicContact CD1-CG 3.9Å; L451-L457 HydrophobicContact CG-CD2 4.37Å; H454-L457 WeakPolarHBondContact O-CB 3.35Å; H454-L457 PolarHBondContact O-N 3.15Å; K455-L457 VanDerWaalsContact C-N 3.3Å; K455-L457 PolarHBondContact O-N 3.22Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.17Å; L457-I460 PolarHBondContact O-N 3.27Å; L457-R461 WeakPolarHBondContact O-CB 3.4Å; L457-R461 PolarHBondContact O-N 2.73Å
458	K	87.9	Confident	88.8	Confident	106 Å²	106	63.6 Å²	63.6	46%	0.461	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-34.2	177.1	-62.6	-176.4	-178.4	178.1	0	112	K455 L456 K462	K455-K458 WeakPolarHBondContact O-CB 3.48Å; K455-K458 PolarHBondContact O-N 3.31Å; K455-K458 VanDerWaalsContact O-N 3.15Å; L456-K458 VanDerWaalsContact C-N 3.29Å; L456-K458 PolarHBondContact O-N 2.9Å; K458-K462 WeakPolarHBondContact O-CG 3.46Å; K458-K462 PolarHBondContact O-N 3.31Å; K458-K462 VanDerWaalsContact O-N 3.15Å
459	V	90.7	Very high	89.5	Confident	31 Å²	31	62.5 Å²	62.5	19%	0.188	28%	0.283	C	S	.	.	H	α-helix	trans	-70.2	-46.8	176.7	-179.8	0	0	0	0	110.2	K455 L456 L457 R461 K462 K463	K455-V459 PolarHBondContact O-N 3.39Å; L456-V459 WeakPolarHBondContact O-CB 3.42Å; L456-V459 PolarHBondContact O-N 3.32Å; L456-V459 VanDerWaalsContact O-N 3.1Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.17Å; V459-R461 VanDerWaalsContact C-N 3.35Å; V459-R461 PolarHBondContact O-N 3.43Å; V459-K462 PolarHBondContact O-N 3.47Å; V459-K463 PolarHBondContact O-N 3.36Å
460	I	92.1	Very high	90.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.4	-50.7	173.4	-66.5	169.1	0	0	0	109.7	V381 F383 V437 L442 L456 L457 K462 K463 L464	V381-I460 HydrophobicContact CG1-CD1 4.21Å; V381-I460 HydrophobicContact CG1-CG1 4.1Å; F383-I460 HydrophobicContact CD1-CG1 4.03Å; F383-I460 HydrophobicContact CE1-CB 4.22Å; F383-I460 HydrophobicContact CE1-CG1 3.79Å; F383-I460 HydrophobicContact CE1-CG2 4.23Å; F383-I460 HydrophobicContact CE2-CG2 4.49Å; F383-I460 HydrophobicContact CZ-CB 4.44Å; F383-I460 HydrophobicContact CZ-CG1 4.45Å; F383-I460 HydrophobicContact CZ-CG2 4.05Å; V437-I460 HydrophobicContact CG1-CG2 4.32Å; L442-I460 HydrophobicContact CD1-CD1 4.11Å; L442-I460 HydrophobicContact CD2-CD1 4.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.24Å; L456-I460 PolarHBondContact O-N 3.34Å; L457-I460 PolarHBondContact O-N 3.27Å; I460-K462 PolarHBondContact O-N 2.83Å; I460-K463 PolarHBondContact O-N 2.72Å; I460-K463 VanDerWaalsContact O-N 3.08Å; I460-L464 HydrophobicContact CG2-CD1 3.63Å; I460-L464 HydrophobicContact CG2-CG 3.98Å; I460-L464 WeakPolarHBondContact O-CG 3.27Å; I460-L464 PolarHBondContact O-N 2.9Å
461	R	92.7	Very high	90.8	Very high	72 Å²	72	59.8 Å²	59.8	27%	0.272	27%	0.266	S	S	.	.	H	α-helix	trans	-53.2	-49.2	178	178.2	174.3	71.5	-135	11.6	112.9	D424 M425 L457 V459 K463 L464 V465	D424-R461 WeakPolarHBondContact O-CD 3.44Å; D424-R461 PolarHBondContact O-NH1 3.42Å; M425-R461 VanDerWaalsContact O-CA 3.22Å; M425-R461 WeakPolarHBondContact O-CA 3.5Å; M425-R461 WeakPolarHBondContact O-CB 3.31Å; M425-R461 WeakPolarHBondContact O-CG 3.22Å; L457-R461 WeakPolarHBondContact O-CB 3.4Å; L457-R461 PolarHBondContact O-N 2.73Å; V459-R461 VanDerWaalsContact C-N 3.35Å; V459-R461 PolarHBondContact O-N 3.43Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 2.98Å; R461-L464 PolarHBondContact O-N 2.82Å; R461-V465 HydrophobicContact CG-CG2 4.13Å; R461-V465 WeakPolarHBondContact O-CB 3.23Å; R461-V465 VanDerWaalsContact O-CG2 3.28Å; R461-V465 WeakPolarHBondContact O-CG2 3.32Å; R461-V465 PolarHBondContact O-N 3.36Å
462	K	93	Very high	91.5	Very high	158 Å²	158	58.7 Å²	58.7	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-57.9	-42.1	179.2	-77.3	179.7	177.9	-178.3	0	111.8	K458 V459 I460 R466	K458-K462 WeakPolarHBondContact O-CG 3.46Å; K458-K462 PolarHBondContact O-N 3.31Å; K458-K462 VanDerWaalsContact O-N 3.15Å; V459-K462 PolarHBondContact O-N 3.47Å; I460-K462 PolarHBondContact O-N 2.83Å; K462-R466 WeakPolarHBondContact O-CB 3.24Å; K462-R466 PolarHBondContact O-N 3.33Å; K462-R466 VanDerWaalsContact O-N 3.16Å
463	K	94.6	Very high	92.2	Very high	48 Å²	48	58.9 Å²	58.9	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-44.9	178.2	-68.6	-170.7	-175.5	177.3	0	111.4	A377 E378 V381 F383 V459 I460 R461 R466 K467	A377-K463 HydrophobicContact CB-CD 3.51Å; E378-K463 PolarHBondContact O-NZ 3.44Å; V381-K463 PolarHBondContact O-NZ 3.43Å; V381-K463 VanDerWaalsContact O-NZ 3.16Å; F383-K463 HydrophobicContact CE1-CB 4.43Å; F383-K463 HydrophobicContact CE1-CD 3.89Å; F383-K463 HydrophobicContact CZ-CB 3.92Å; F383-K463 HydrophobicContact CZ-CD 4.11Å; V459-K463 PolarHBondContact O-N 3.36Å; I460-K463 PolarHBondContact O-N 2.72Å; I460-K463 VanDerWaalsContact O-N 3.08Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 2.98Å; K463-R466 PolarHBondContact O-N 3.24Å; K463-K467 WeakPolarHBondContact O-CB 3.25Å; K463-K467 VanDerWaalsContact O-CG 3.29Å; K463-K467 WeakPolarHBondContact O-CG 3.42Å; K463-K467 PolarHBondContact O-N 2.87Å
464	L	95.7	Very high	93.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.2	-52.8	176.2	-67.3	174.3	0	0	0	111.3	F375 F383 L387 F422 M425 M426 V437 I460 R461 R466 K467 T468	F375-L464 HydrophobicContact CZ-CD2 3.98Å; F383-L464 HydrophobicContact CE2-CD2 4.23Å; L387-L464 HydrophobicContact CD1-CD2 3.91Å; L387-L464 HydrophobicContact CD2-CD2 4.13Å; L387-L464 HydrophobicContact CG-CD2 4.4Å; F422-L464 HydrophobicContact CE1-CD1 4.49Å; F422-L464 HydrophobicContact CZ-CD1 4.47Å; M425-L464 HydrophobicContact CB-CD1 4.49Å; M426-L464 HydrophobicContact CG-CD1 4.41Å; M426-L464 HydrophobicContact SD-CB 3.85Å; V437-L464 HydrophobicContact CG2-CD1 4.15Å; V437-L464 HydrophobicContact CG2-CD2 3.85Å; I460-L464 HydrophobicContact CG2-CD1 3.63Å; I460-L464 HydrophobicContact CG2-CG 3.98Å; I460-L464 WeakPolarHBondContact O-CG 3.27Å; I460-L464 PolarHBondContact O-N 2.9Å; R461-L464 PolarHBondContact O-N 2.82Å; L464-R466 VanDerWaalsContact C-N 3.34Å; L464-R466 PolarHBondContact O-N 2.95Å; L464-K467 PolarHBondContact O-N 2.64Å; L464-T468 WeakPolarHBondContact O-CB 3.14Å; L464-T468 PolarHBondContact O-N 3.04Å; L464-T468 PolarHBondContact O-OG1 3Å
465	V	96.2	Very high	93.9	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-57	-47.4	179.4	173.3	0	0	0	0	111.1	M426 P427 L430 R461 K467 T468 L469 N502	M426-V465 HydrophobicContact SD-CG2 3.85Å; P427-V465 HydrophobicContact CG-CG2 3.8Å; L430-V465 HydrophobicContact CD1-CG1 4.28Å; L430-V465 HydrophobicContact CD1-CG2 4.21Å; R461-V465 HydrophobicContact CG-CG2 4.13Å; R461-V465 WeakPolarHBondContact O-CB 3.23Å; R461-V465 VanDerWaalsContact O-CG2 3.28Å; R461-V465 WeakPolarHBondContact O-CG2 3.32Å; R461-V465 PolarHBondContact O-N 3.36Å; V465-K467 PolarHBondContact O-N 3.26Å; V465-T468 PolarHBondContact O-N 2.84Å; V465-L469 HydrophobicContact CG1-CD1 4.04Å; V465-L469 HydrophobicContact CG1-CG 4.38Å; V465-L469 WeakPolarHBondContact O-CG 3.32Å; V465-L469 PolarHBondContact O-N 3.31Å; V465-N502 WeakPolarHBondContact CG1-ND2 3.4Å
466	R	96.1	Very high	94.3	Very high	153 Å²	153	53.5 Å²	53.5	58%	0.577	25%	0.246	S	C	*	.	H	α-helix	trans	-57.8	-47.8	178.5	-179.9	176.1	177.6	164.2	0.3	111.7	K462 K463 L464 L469 D470	K462-R466 WeakPolarHBondContact O-CB 3.24Å; K462-R466 PolarHBondContact O-N 3.33Å; K462-R466 VanDerWaalsContact O-N 3.16Å; K463-R466 PolarHBondContact O-N 3.24Å; L464-R466 VanDerWaalsContact C-N 3.34Å; L464-R466 PolarHBondContact O-N 2.95Å; R466-L469 PolarHBondContact O-N 2.61Å; R466-D470 VanDerWaalsContact O-CG 3.29Å; R466-D470 PolarHBondContact O-N 3.13Å
467	K	97	Very high	94.6	Very high	73 Å²	73	57.8 Å²	57.8	32%	0.317	27%	0.269	S	S	.	.	H	α-helix	trans	-67.9	-37.2	-179.2	-69.3	-69.7	-174.9	179.1	0	112.1	I373 F375 K463 L464 V465 D470 M471	I373-K467 HydrophobicContact CD1-CB 4.19Å; I373-K467 HydrophobicContact CD1-CD 4.18Å; I373-K467 WeakPolarHBondContact CD1-O 3.4Å; F375-K467 HydrophobicContact CB-CD 4.37Å; F375-K467 HydrophobicContact CD1-CB 4.02Å; F375-K467 HydrophobicContact CD1-CD 4.25Å; F375-K467 HydrophobicContact CD1-CG 3.96Å; F375-K467 HydrophobicContact CD2-CD 4.16Å; F375-K467 HydrophobicContact CD2-CG 3.86Å; F375-K467 HydrophobicContact CE1-CB 3.7Å; F375-K467 HydrophobicContact CE1-CG 3.87Å; F375-K467 HydrophobicContact CE2-CB 4.44Å; F375-K467 HydrophobicContact CE2-CG 3.78Å; F375-K467 HydrophobicContact CG-CD 3.98Å; F375-K467 HydrophobicContact CG-CG 3.95Å; F375-K467 HydrophobicContact CZ-CB 3.92Å; F375-K467 HydrophobicContact CZ-CG 3.78Å; K463-K467 WeakPolarHBondContact O-CB 3.25Å; K463-K467 VanDerWaalsContact O-CG 3.29Å; K463-K467 WeakPolarHBondContact O-CG 3.42Å; K463-K467 PolarHBondContact O-N 2.87Å; L464-K467 PolarHBondContact O-N 2.64Å; V465-K467 PolarHBondContact O-N 3.26Å; K467-D470 PolarHBondContact O-N 3.42Å; K467-M471 WeakPolarHBondContact O-CB 3.41Å; K467-M471 PolarHBondContact O-N 2.97Å
468	T	97.6	Very high	94.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-47.4	172.9	-62.1	0	0	0	0	111.6	L387 M426 L430 V433 L464 V465 D470 M471 I472	L387-T468 WeakPolarHBondContact CD1-OG1 3.44Å; M426-T468 HydrophobicContact CE-CG2 4.3Å; L430-T468 HydrophobicContact CD1-CG2 4.01Å; L430-T468 HydrophobicContact CD2-CG2 4.03Å; V433-T468 HydrophobicContact CG2-CG2 3.79Å; L464-T468 WeakPolarHBondContact O-CB 3.14Å; L464-T468 PolarHBondContact O-N 3.04Å; L464-T468 PolarHBondContact O-OG1 3Å; V465-T468 PolarHBondContact O-N 2.84Å; T468-D470 VanDerWaalsContact C-N 3.32Å; T468-D470 PolarHBondContact O-N 3.29Å; T468-M471 HydrophobicContact CG2-CE 4.24Å; T468-M471 WeakPolarHBondContact O-CB 3.43Å; T468-M471 PolarHBondContact O-N 2.95Å; T468-I472 HydrophobicContact CG2-CD1 3.83Å; T468-I472 HydrophobicContact CG2-CG1 4.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.25Å; T468-I472 PolarHBondContact O-N 3.01Å
469	L	97.7	Very high	95.2	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-33.9	178.3	-61.7	179.6	0	0	0	112.2	V465 R466 I472 K473 N502 R505 L506 L509	V465-L469 HydrophobicContact CG1-CD1 4.04Å; V465-L469 HydrophobicContact CG1-CG 4.38Å; V465-L469 WeakPolarHBondContact O-CG 3.32Å; V465-L469 PolarHBondContact O-N 3.31Å; R466-L469 PolarHBondContact O-N 2.61Å; L469-I472 HydrophobicContact CD2-CD1 4.48Å; L469-K473 VanDerWaalsContact O-CB 3.29Å; L469-K473 WeakPolarHBondContact O-CB 3.32Å; L469-K473 PolarHBondContact O-N 2.86Å; L469-N502 HydrophobicContact CD1-CB 3.75Å; L469-R505 HydrophobicContact CB-CG 4.39Å; L469-R505 HydrophobicContact CD1-CG 4.3Å; L469-L506 HydrophobicContact CD1-CD2 4.43Å; L469-L506 HydrophobicContact CD1-CG 4.4Å; L469-L506 HydrophobicContact CD2-CD2 3.57Å; L469-L506 HydrophobicContact CD2-CG 4.39Å; L469-L509 HydrophobicContact CD2-CD1 4.36Å
470	D	97.1	Very high	95.6	Very high	43 Å²	43	61.1 Å²	61.1	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-39.7	171.2	-72.2	-22.8	0	0	0	111.6	R466 K467 T468 K474 R505	R466-D470 VanDerWaalsContact O-CG 3.29Å; R466-D470 PolarHBondContact O-N 3.13Å; K467-D470 PolarHBondContact O-N 3.42Å; T468-D470 VanDerWaalsContact C-N 3.32Å; T468-D470 PolarHBondContact O-N 3.29Å; D470-K474 VanDerWaalsContact O-CG 3.29Å; D470-K474 WeakPolarHBondContact O-CG 3.38Å; D470-K474 PolarHBondContact O-N 3.32Å; D470-R505 IonicContact OD1-CZ 3.21Å; D470-R505 IonicContact OD1-NH1 2.72Å; D470-R505 PolarHBondContact OD1-NH1 2.83Å
471	M	97.6	Very high	95.7	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-49.8	175.1	176	-177.9	55.8	0	0	111.1	A371 I373 L387 V389 K467 T468 K473 K474 I475	A371-M471 HydrophobicContact CB-CG 4.16Å; A371-M471 HydrophobicContact CB-SD 4.35Å; I373-M471 HydrophobicContact CB-CB 4.01Å; I373-M471 HydrophobicContact CB-CG 4.1Å; I373-M471 HydrophobicContact CB-SD 3.89Å; I373-M471 HydrophobicContact CD1-CB 4.19Å; I373-M471 HydrophobicContact CG2-CB 3.98Å; I373-M471 HydrophobicContact CG2-CE 4.25Å; I373-M471 HydrophobicContact CG2-CG 4.22Å; I373-M471 HydrophobicContact CG2-SD 3.61Å; L387-M471 HydrophobicContact CB-CE 4.49Å; V389-M471 HydrophobicContact CG2-CE 3.35Å; V389-M471 HydrophobicContact CG2-SD 4.06Å; K467-M471 WeakPolarHBondContact O-CB 3.41Å; K467-M471 PolarHBondContact O-N 2.97Å; T468-M471 HydrophobicContact CG2-CE 4.24Å; T468-M471 WeakPolarHBondContact O-CB 3.43Å; T468-M471 PolarHBondContact O-N 2.95Å; M471-K473 VanDerWaalsContact C-N 3.31Å; M471-K473 PolarHBondContact O-N 3.3Å; M471-K474 PolarHBondContact O-N 2.81Å; M471-I475 PolarHBondContact O-N 3.14Å
472	I	98	Very high	95.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-41.5	179.6	-67.1	166.8	0	0	0	110.7	V389 L430 F432 T468 L469 K474 I475 Y480 F484 I492 L509	V389-I472 HydrophobicContact CG2-CG1 4.46Å; L430-I472 HydrophobicContact CD2-CD1 4.41Å; F432-I472 HydrophobicContact CZ-CD1 4.32Å; T468-I472 HydrophobicContact CG2-CD1 3.83Å; T468-I472 HydrophobicContact CG2-CG1 4.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.25Å; T468-I472 PolarHBondContact O-N 3.01Å; L469-I472 HydrophobicContact CD2-CD1 4.48Å; I472-K474 PolarHBondContact O-N 3.1Å; I472-I475 WeakPolarHBondContact O-CB 3.48Å; I472-I475 WeakPolarHBondContact O-CG1 3.41Å; I472-I475 PolarHBondContact O-N 3.03Å; I472-Y480 HydrophobicContact CG2-CE2 3.71Å; I472-F484 HydrophobicContact CB-CZ 4.41Å; I472-F484 HydrophobicContact CD1-CE2 4.38Å; I472-F484 HydrophobicContact CD1-CZ 3.94Å; I472-F484 HydrophobicContact CG1-CE2 4.07Å; I472-F484 HydrophobicContact CG1-CZ 3.95Å; I472-F484 HydrophobicContact CG2-CD1 4.41Å; I472-F484 HydrophobicContact CG2-CE1 3.69Å; I472-F484 HydrophobicContact CG2-CE2 4.16Å; I472-F484 HydrophobicContact CG2-CZ 3.54Å; I472-I492 HydrophobicContact CD1-CD1 4.39Å; I472-L509 HydrophobicContact CB-CD1 4.42Å; I472-L509 HydrophobicContact CG2-CD1 3.82Å; I472-L509 HydrophobicContact CG2-CD2 4.21Å
473	K	96.7	Very high	96	Very high	146 Å²	146	58.9 Å²	58.9	64%	0.635	29%	0.289	S	S	*	.	H	α-helix	trans	-63.2	-25.7	176.3	-179.5	172.9	177.5	174.8	0	113.6	L469 M471 L509	L469-K473 VanDerWaalsContact O-CB 3.29Å; L469-K473 WeakPolarHBondContact O-CB 3.32Å; L469-K473 PolarHBondContact O-N 2.86Å; M471-K473 VanDerWaalsContact C-N 3.31Å; M471-K473 PolarHBondContact O-N 3.3Å; K473-L509 HydrophobicContact CB-CD2 4.24Å
474	K	96.5	Very high	96.2	Very high	166 Å²	166	56.6 Å²	56.6	72%	0.722	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.4	180	-76.1	174.2	178.3	-174.2	0	113.7	D470 M471 I472 A476	D470-K474 VanDerWaalsContact O-CG 3.29Å; D470-K474 WeakPolarHBondContact O-CG 3.38Å; D470-K474 PolarHBondContact O-N 3.32Å; M471-K474 PolarHBondContact O-N 2.81Å; I472-K474 PolarHBondContact O-N 3.1Å; K474-A476 PolarHBondContact O-N 3.03Å
475	I	96.3	Very high	96.3	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.072	28%	0.282	C	S	.	.	S	Bend	trans	-62.9	130.1	173.4	-60.1	175.1	0	0	0	107.7	M370 A371 M471 I472 K479 Y480 F484	M370-I475 HydrophobicContact SD-CD1 4.42Å; A371-I475 HydrophobicContact CB-CD1 4.19Å; A371-I475 HydrophobicContact CB-CG1 4.06Å; M471-I475 PolarHBondContact O-N 3.14Å; I472-I475 WeakPolarHBondContact O-CB 3.48Å; I472-I475 WeakPolarHBondContact O-CG1 3.41Å; I472-I475 PolarHBondContact O-N 3.03Å; I475-K479 HydrophobicContact CG2-CB 4.05Å; I475-K479 HydrophobicContact CG2-CD 4.39Å; I475-K479 HydrophobicContact CG2-CG 4.18Å; I475-Y480 HydrophobicContact CB-CD2 4.25Å; I475-Y480 HydrophobicContact CG2-CD2 4.44Å; I475-F484 HydrophobicContact CD1-CB 4.38Å; I475-F484 HydrophobicContact CD1-CD2 3.68Å; I475-F484 HydrophobicContact CD1-CE2 4.23Å; I475-F484 HydrophobicContact CD1-CG 4.06Å
476	A	93.5	Very high	96.3	Very high	66 Å²	66	64.2 Å²	64.2	55%	0.545	31%	0.311	S	S	.	.			trans	-56.7	141	179.3	0	0	0	0	0	111.1	K474 D478 K479 Y480	K474-A476 PolarHBondContact O-N 3.03Å; A476-D478 VanDerWaalsContact C-N 3.31Å; A476-D478 PolarHBondContact O-N 2.95Å; A476-K479 CarbonylContact O-C 3.56Å; A476-K479 PolarHBondContact O-N 3.02Å; A476-Y480 WeakPolarHBondContact O-CB 3.45Å; A476-Y480 PolarHBondContact O-N 3.42Å
477	D	93.1	Very high	96.3	Very high	105 Å²	105	60.2 Å²	60.2	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-55.1	-41.8	-170.2	-73.4	-40.4	0	0	0	113.7	Y480 N481 R511	D477-Y480 WeakPolarHBondContact O-CB 3.23Å; D477-Y480 PolarHBondContact O-N 3Å; D477-N481 VanDerWaalsContact O-CG 3.28Å; D477-N481 PolarHBondContact O-N 3.26Å; D477-R511 IonicContact OD1-NH2 2.86Å
478	D	92.7	Very high	96.4	Very high	126 Å²	126	56.8 Å²	56.8	67%	0.674	28%	0.284	S	S	*	.	H	α-helix	trans	-62.6	-50.1	177.4	-59.7	-25.5	0	0	0	110.8	A476 Y480 N481 D482	A476-D478 VanDerWaalsContact C-N 3.31Å; A476-D478 PolarHBondContact O-N 2.95Å; D478-Y480 VanDerWaalsContact C-N 3.28Å; D478-Y480 PolarHBondContact O-N 3.13Å; D478-N481 PolarHBondContact O-N 2.94Å; D478-D482 VanDerWaalsContact O-CB 3.31Å; D478-D482 WeakPolarHBondContact O-CB 3.42Å; D478-D482 PolarHBondContact O-N 3.08Å
479	K	95	Very high	96.4	Very high	97 Å²	97	56.9 Å²	56.9	42%	0.422	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-37.5	177.1	-167.9	176.2	-171.2	-174.9	0	111.2	M370 I475 A476 T483 F484	M370-K479 PolarHBondContact O-NZ 3.26Å; I475-K479 HydrophobicContact CG2-CB 4.05Å; I475-K479 HydrophobicContact CG2-CD 4.39Å; I475-K479 HydrophobicContact CG2-CG 4.18Å; A476-K479 CarbonylContact O-C 3.56Å; A476-K479 PolarHBondContact O-N 3.02Å; K479-T483 WeakPolarHBondContact CG-OG1 3.44Å; K479-T483 PolarHBondContact O-N 3.05Å; K479-T483 PolarHBondContact O-OG1 3.43Å; K479-F484 PolarHBondContact O-N 3.26Å
480	Y	97.6	Very high	96.4	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.016	30%	0.299	C	S	.	.	I	π-helix	trans	-60.3	-50.6	177.1	-172.9	-85.6	0	0	0	110.7	I472 I475 A476 D477 D478 F484 W485 L509 R511	I472-Y480 HydrophobicContact CG2-CE2 3.71Å; I475-Y480 HydrophobicContact CB-CD2 4.25Å; I475-Y480 HydrophobicContact CG2-CD2 4.44Å; A476-Y480 WeakPolarHBondContact O-CB 3.45Å; A476-Y480 PolarHBondContact O-N 3.42Å; D477-Y480 WeakPolarHBondContact O-CB 3.23Å; D477-Y480 PolarHBondContact O-N 3Å; D478-Y480 VanDerWaalsContact C-N 3.28Å; D478-Y480 PolarHBondContact O-N 3.13Å; Y480-F484 HydrophobicContact CD2-CB 4.31Å; Y480-F484 AromaticContact CD2-CD1 3.77Å; Y480-F484 HydrophobicContact CD2-CD1 3.77Å; Y480-F484 HydrophobicContact CD2-CE1 4.48Å; Y480-F484 HydrophobicContact CD2-CG 4.2Å; Y480-F484 HydrophobicContact CE1-CD1 4.38Å; Y480-F484 AromaticContact CE2-CD1 3.27Å; Y480-F484 HydrophobicContact CE2-CD1 3.27Å; Y480-F484 AromaticContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CG 4.11Å; Y480-F484 HydrophobicContact CG-CD1 4.48Å; Y480-F484 AromaticContact CZ-CD1 3.6Å; Y480-F484 AromaticContact CZ-CE1 3.86Å; Y480-F484 WeakPolarHBondContact O-CB 3.39Å; Y480-F484 PolarHBondContact O-N 2.97Å; Y480-W485 HydrophobicContact CE1-CB 4.41Å; Y480-W485 AromaticContact CE1-CE3 3.78Å; Y480-W485 HydrophobicContact CE1-CE3 3.78Å; Y480-W485 VanDerWaalsContact O-CB 3.32Å; Y480-W485 WeakPolarHBondContact O-CB 3.43Å; Y480-W485 PolarHBondContact O-N 2.65Å; Y480-L509 WeakPolarHBondContact CE1-O 3.18Å; Y480-L509 HydrophobicContact CE2-CD2 4.31Å; Y480-L509 WeakPolarHBondContact OH-CB 3.46Å; Y480-L509 PolarHBondContact OH-O 3.37Å; Y480-R511 HydrophobicContact CD1-CG 4.09Å; Y480-R511 HydrophobicContact CE1-CG 3.69Å
481	N	96.2	Very high	96.4	Very high	31 Å²	31	57 Å²	57	17%	0.166	29%	0.288	C	S	.	.	I	π-helix	trans	-72.1	-43.1	-176.7	-67.3	-9.1	0	0	0	112.4	D477 D478 R511 I521	D477-N481 VanDerWaalsContact O-CG 3.28Å; D477-N481 PolarHBondContact O-N 3.26Å; D478-N481 PolarHBondContact O-N 2.94Å; N481-R511 WeakPolarHBondContact OD1-CD 3.18Å; N481-R511 PolarHBondContact OD1-NE 2.97Å; N481-I521 HydrophobicContact CB-CD1 3.81Å; N481-I521 HydrophobicContact CB-CG1 4.01Å
482	D	94.5	Very high	96.5	Very high	99 Å²	99	56.8 Å²	56.8	53%	0.529	29%	0.287	S	S	.	.	I	π-helix	trans	-83.6	-23.2	-170.9	-71.7	-26.6	0	0	0	114.2	D478 K486	D478-D482 VanDerWaalsContact O-CB 3.31Å; D478-D482 WeakPolarHBondContact O-CB 3.42Å; D478-D482 PolarHBondContact O-N 3.08Å; D482-K486 VanDerWaalsContact O-CD 3.27Å; D482-K486 WeakPolarHBondContact O-CD 3.49Å; D482-K486 VanDerWaalsContact O-CE 3.22Å; D482-K486 WeakPolarHBondContact O-CE 3.2Å; D482-K486 PolarHBondContact O-NZ 3.46Å
483	T	96.1	Very high	96.5	Very high	52 Å²	52	56.9 Å²	56.9	32%	0.319	29%	0.287	S	S	.	.	I	π-helix	trans	-124.7	-67.3	-178.3	62.8	0	0	0	0	111.8	K479 W485 K486 E487	K479-T483 WeakPolarHBondContact CG-OG1 3.44Å; K479-T483 PolarHBondContact O-N 3.05Å; K479-T483 PolarHBondContact O-OG1 3.43Å; T483-W485 VanDerWaalsContact C-N 3.33Å; T483-W485 PolarHBondContact O-N 2.96Å; T483-K486 PolarHBondContact O-N 3.37Å; T483-K486 VanDerWaalsContact O-N 3.13Å; T483-E487 PolarHBondContact O-N 3.2Å
484	F	98.2	Very high	96.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-54	-46.9	-173.2	-179	-92.3	0	0	0	113.1	M370 V389 F432 I472 I475 K479 Y480 K486 E487 F488 I492	M370-F484 HydrophobicContact CE-CB 4.34Å; M370-F484 HydrophobicContact SD-CB 3.51Å; M370-F484 VanDerWaalsContact SD-CB 3.51Å; M370-F484 HydrophobicContact SD-CD2 3.75Å; M370-F484 HydrophobicContact SD-CG 4.13Å; V389-F484 HydrophobicContact CG1-CD2 3.91Å; V389-F484 HydrophobicContact CG1-CE2 3.78Å; F432-F484 HydrophobicContact CE2-CE2 4.36Å; F432-F484 HydrophobicContact CZ-CZ 4.44Å; I472-F484 HydrophobicContact CB-CZ 4.41Å; I472-F484 HydrophobicContact CD1-CE2 4.38Å; I472-F484 HydrophobicContact CD1-CZ 3.94Å; I472-F484 HydrophobicContact CG1-CE2 4.07Å; I472-F484 HydrophobicContact CG1-CZ 3.95Å; I472-F484 HydrophobicContact CG2-CD1 4.41Å; I472-F484 HydrophobicContact CG2-CE1 3.69Å; I472-F484 HydrophobicContact CG2-CE2 4.16Å; I472-F484 HydrophobicContact CG2-CZ 3.54Å; I475-F484 HydrophobicContact CD1-CB 4.38Å; I475-F484 HydrophobicContact CD1-CD2 3.68Å; I475-F484 HydrophobicContact CD1-CE2 4.23Å; I475-F484 HydrophobicContact CD1-CG 4.06Å; K479-F484 PolarHBondContact O-N 3.26Å; Y480-F484 HydrophobicContact CD2-CB 4.31Å; Y480-F484 AromaticContact CD2-CD1 3.77Å; Y480-F484 HydrophobicContact CD2-CD1 3.77Å; Y480-F484 HydrophobicContact CD2-CE1 4.48Å; Y480-F484 HydrophobicContact CD2-CG 4.2Å; Y480-F484 HydrophobicContact CE1-CD1 4.38Å; Y480-F484 AromaticContact CE2-CD1 3.27Å; Y480-F484 HydrophobicContact CE2-CD1 3.27Å; Y480-F484 AromaticContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CG 4.11Å; Y480-F484 HydrophobicContact CG-CD1 4.48Å; Y480-F484 AromaticContact CZ-CD1 3.6Å; Y480-F484 AromaticContact CZ-CE1 3.86Å; Y480-F484 WeakPolarHBondContact O-CB 3.39Å; Y480-F484 PolarHBondContact O-N 2.97Å; F484-K486 VanDerWaalsContact C-N 3.32Å; F484-K486 PolarHBondContact O-N 2.99Å; F484-E487 PolarHBondContact O-N 3.12Å; F484-F488 AromaticContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CE1-CB 4.26Å; F484-F488 HydrophobicContact CE2-CB 4.12Å; F484-F488 AromaticContact CE2-CD2 3.71Å; F484-F488 HydrophobicContact CE2-CD2 3.71Å; F484-F488 HydrophobicContact CE2-CG 4.26Å; F484-F488 HydrophobicContact CG-CD2 4.47Å; F484-F488 HydrophobicContact CZ-CB 3.92Å; F484-F488 HydrophobicContact CZ-CD2 4.38Å; F484-F488 PolarHBondContact O-N 3.48Å; F484-I492 HydrophobicContact CE1-CD1 4.14Å; F484-I492 HydrophobicContact CE1-CG1 3.93Å; F484-I492 HydrophobicContact CZ-CD1 4.13Å; F484-I492 HydrophobicContact CZ-CG1 4.34Å
485	W	97.9	Very high	96.6	Very high	18 Å²	18	43.4 Å²	43.4	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-33.2	-175.5	-172.7	-101	0	0	0	112.8	Y480 T483 G489 I492 K493 L509 L510 R511 I521	Y480-W485 HydrophobicContact CE1-CB 4.41Å; Y480-W485 AromaticContact CE1-CE3 3.78Å; Y480-W485 HydrophobicContact CE1-CE3 3.78Å; Y480-W485 VanDerWaalsContact O-CB 3.32Å; Y480-W485 WeakPolarHBondContact O-CB 3.43Å; Y480-W485 PolarHBondContact O-N 2.65Å; T483-W485 VanDerWaalsContact C-N 3.33Å; T483-W485 PolarHBondContact O-N 2.96Å; W485-G489 WeakPolarHBondContact O-CA 2.93Å; W485-G489 PolarHBondContact O-N 3.22Å; W485-I492 HydrophobicContact CZ3-CB 4.05Å; W485-I492 HydrophobicContact CZ3-CG1 4.35Å; W485-I492 HydrophobicContact CZ3-CG2 4.14Å; W485-K493 HydrophobicContact CH2-CG 4.37Å; W485-L509 VanDerWaalsContact CZ3-O 3.24Å; W485-L509 WeakPolarHBondContact CZ3-O 3.38Å; W485-L510 HydrophobicContact CH2-CB 4.38Å; W485-L510 HydrophobicContact CH2-CD2 3.87Å; W485-R511 HydrophobicContact CD2-CB 3.69Å; W485-R511 HydrophobicContact CD2-CG 3.98Å; W485-R511 HydrophobicContact CE3-CB 4.14Å; W485-R511 HydrophobicContact CE3-CG 4.06Å; W485-R511 HydrophobicContact CG-CB 4.04Å; W485-R511 HydrophobicContact CG-CG 4.28Å; W485-R511 HydrophobicContact CZ2-CB 4.07Å; W485-R511 WeakPolarHBondContact CZ2-O 3.31Å; W485-R511 PolarHBondContact NE1-O 3.49Å; W485-I521 HydrophobicContact CB-CD1 4.21Å; W485-I521 HydrophobicContact CG-CD1 3.92Å
486	K	96.6	Very high	96.7	Very high	149 Å²	149	42.7 Å²	42.7	65%	0.648	23%	0.226	S	C	*	.	H	α-helix	trans	-69	-36.8	177.5	-63	-178.2	-171.3	152.9	0	111.5	D482 T483 F484	D482-K486 VanDerWaalsContact O-CD 3.27Å; D482-K486 WeakPolarHBondContact O-CD 3.49Å; D482-K486 VanDerWaalsContact O-CE 3.22Å; D482-K486 WeakPolarHBondContact O-CE 3.2Å; D482-K486 PolarHBondContact O-NZ 3.46Å; T483-K486 PolarHBondContact O-N 3.37Å; T483-K486 VanDerWaalsContact O-N 3.13Å; F484-K486 VanDerWaalsContact C-N 3.32Å; F484-K486 PolarHBondContact O-N 2.99Å
487	E	97.5	Very high	96.8	Very high	69 Å²	69	42 Å²	42	32%	0.322	21%	0.213	S	C	.	.	H	α-helix	trans	-83.1	-42	-178.3	-60.2	-60.2	143.7	0	0	112.8	A393 T483 F484	A393-E487 HydrophobicContact CB-CB 4.47Å; A393-E487 PolarHBondContact N-OE2 3.36Å; T483-E487 PolarHBondContact O-N 3.2Å; F484-E487 PolarHBondContact O-N 3.12Å
488	F	98.1	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-125.4	12.1	-168.7	-52.3	-66.1	0	0	0	114	V389 P390 A393 L397 F432 F484 T490 N491 I492	V389-F488 HydrophobicContact CG1-CD2 4.14Å; V389-F488 HydrophobicContact CG1-CE2 3.77Å; P390-F488 HydrophobicContact CB-CZ 4.32Å; P390-F488 WeakPolarHBondContact O-CE2 3.42Å; A393-F488 HydrophobicContact CB-CE1 4.02Å; L397-F488 HydrophobicContact CD2-CD1 4.27Å; L397-F488 HydrophobicContact CD2-CE1 4.27Å; F432-F488 HydrophobicContact CB-CD1 3.87Å; F432-F488 HydrophobicContact CB-CE1 3.49Å; F432-F488 VanDerWaalsContact CB-CE1 3.49Å; F432-F488 HydrophobicContact CB-CZ 4.35Å; F432-F488 AromaticContact CD1-CD1 3.84Å; F432-F488 HydrophobicContact CD1-CD1 3.84Å; F432-F488 HydrophobicContact CD1-CE1 4.34Å; F432-F488 HydrophobicContact CD1-CG 4.47Å; F432-F488 AromaticContact CD2-CD1 3.71Å; F432-F488 HydrophobicContact CD2-CD1 3.71Å; F432-F488 HydrophobicContact CD2-CD2 4.38Å; F432-F488 AromaticContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE2 4.35Å; F432-F488 HydrophobicContact CD2-CG 4.08Å; F432-F488 HydrophobicContact CD2-CZ 4Å; F432-F488 HydrophobicContact CE1-CB 4.44Å; F432-F488 HydrophobicContact CE1-CD1 4.29Å; F432-F488 HydrophobicContact CE1-CG 4.49Å; F432-F488 HydrophobicContact CE2-CD1 4.18Å; F432-F488 HydrophobicContact CE2-CD2 4.36Å; F432-F488 HydrophobicContact CE2-CE1 4.48Å; F432-F488 HydrophobicContact CE2-CG 4.11Å; F432-F488 AromaticContact CG-CD1 3.52Å; F432-F488 HydrophobicContact CG-CD1 3.52Å; F432-F488 AromaticContact CG-CE1 3.57Å; F432-F488 HydrophobicContact CG-CE1 3.57Å; F432-F488 HydrophobicContact CG-CG 4.26Å; F432-F488 HydrophobicContact CG-CZ 4.35Å; F432-F488 HydrophobicContact CZ-CB 4.35Å; F432-F488 HydrophobicContact CZ-CD1 4.45Å; F432-F488 HydrophobicContact CZ-CG 4.32Å; F484-F488 AromaticContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CE1-CB 4.26Å; F484-F488 HydrophobicContact CE2-CB 4.12Å; F484-F488 AromaticContact CE2-CD2 3.71Å; F484-F488 HydrophobicContact CE2-CD2 3.71Å; F484-F488 HydrophobicContact CE2-CG 4.26Å; F484-F488 HydrophobicContact CG-CD2 4.47Å; F484-F488 HydrophobicContact CZ-CB 3.92Å; F484-F488 HydrophobicContact CZ-CD2 4.38Å; F484-F488 PolarHBondContact O-N 3.48Å; F488-T490 VanDerWaalsContact C-N 3.29Å; F488-T490 PolarHBondContact O-N 2.8Å; F488-N491 HydrophobicContact CB-CB 4.37Å; F488-N491 WeakPolarHBondContact O-CB 3.44Å; F488-N491 PolarHBondContact O-N 2.81Å; F488-N491 VanDerWaalsContact O-N 3.12Å; F488-I492 PolarHBondContact O-N 3.44Å; F488-I492 VanDerWaalsContact O-N 3.11Å
489	G	97.8	Very high	97.1	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-56.6	-42.7	177	0	0	0	0	0	112.4	W485 N491 I492 K493	W485-G489 WeakPolarHBondContact O-CA 2.93Å; W485-G489 PolarHBondContact O-N 3.22Å; G489-N491 PolarHBondContact O-N 2.97Å; G489-I492 PolarHBondContact O-N 2.88Å; G489-K493 VanDerWaalsContact O-CG 3.28Å; G489-K493 WeakPolarHBondContact O-CG 2.9Å; G489-K493 PolarHBondContact O-N 2.9Å
490	T	97.7	Very high	97.1	Very high	47 Å²	47	37.4 Å²	37.4	29%	0.288	19%	0.186	S	C	.	.	H	α-helix	trans	-59	-43.9	174.3	-56.4	0	0	0	0	112.1	F398 F488 I492 K493 L494 V572	F398-T490 HydrophobicContact CE1-CG2 4.08Å; F398-T490 HydrophobicContact CE2-CG2 4.14Å; F398-T490 HydrophobicContact CZ-CG2 3.62Å; F488-T490 VanDerWaalsContact C-N 3.29Å; F488-T490 PolarHBondContact O-N 2.8Å; T490-I492 PolarHBondContact O-N 3.5Å; T490-K493 WeakPolarHBondContact O-CB 2.99Å; T490-K493 PolarHBondContact O-N 3.31Å; T490-L494 HydrophobicContact CG2-CD1 4.2Å; T490-L494 HydrophobicContact CG2-CG 4.49Å; T490-L494 WeakPolarHBondContact O-CG 3.46Å; T490-L494 PolarHBondContact O-N 2.75Å; T490-V572 HydrophobicContact CG2-CG1 4.42Å
491	N	97.8	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-45	176.7	-71.1	86.9	0	0	0	111.9	F398 Y429 N431 F432 F488 G489 K493 L494 G495	F398-N491 VanDerWaalsContact CZ-OD1 3.24Å; F398-N491 WeakPolarHBondContact CZ-OD1 3.07Å; Y429-N491 WeakPolarHBondContact CB-O 3.25Å; Y429-N491 VanDerWaalsContact O-CB 3.29Å; Y429-N491 WeakPolarHBondContact O-CB 3.47Å; Y429-N491 PolarHBondContact O-ND2 3.18Å; N431-N491 PolarHBondContact OD1-ND2 2.79Å; N431-N491 VanDerWaalsContact OD1-ND2 3.14Å; F432-N491 HydrophobicContact CD1-CB 4.04Å; F432-N491 HydrophobicContact CE1-CB 3.71Å; F488-N491 HydrophobicContact CB-CB 4.37Å; F488-N491 WeakPolarHBondContact O-CB 3.44Å; F488-N491 PolarHBondContact O-N 2.81Å; F488-N491 VanDerWaalsContact O-N 3.12Å; G489-N491 PolarHBondContact O-N 2.97Å; N491-K493 VanDerWaalsContact C-N 3.31Å; N491-K493 PolarHBondContact O-N 2.63Å; N491-L494 PolarHBondContact O-N 3.06Å; N491-G495 PolarHBondContact O-N 2.82Å
492	I	98.4	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-41.5	176.9	-58.9	-55.5	0	0	0	110.9	I472 F484 W485 F488 G489 T490 G495 V496 L506 L509 L510	I472-I492 HydrophobicContact CD1-CD1 4.39Å; F484-I492 HydrophobicContact CE1-CD1 4.14Å; F484-I492 HydrophobicContact CE1-CG1 3.93Å; F484-I492 HydrophobicContact CZ-CD1 4.13Å; F484-I492 HydrophobicContact CZ-CG1 4.34Å; W485-I492 HydrophobicContact CZ3-CB 4.05Å; W485-I492 HydrophobicContact CZ3-CG1 4.35Å; W485-I492 HydrophobicContact CZ3-CG2 4.14Å; F488-I492 PolarHBondContact O-N 3.44Å; F488-I492 VanDerWaalsContact O-N 3.11Å; G489-I492 PolarHBondContact O-N 2.88Å; T490-I492 PolarHBondContact O-N 3.5Å; I492-G495 PolarHBondContact O-N 3.19Å; I492-V496 PolarHBondContact O-N 2.95Å; I492-V496 VanDerWaalsContact O-N 3.12Å; I492-L506 HydrophobicContact CD1-CD2 4.41Å; I492-L506 HydrophobicContact CG2-CD2 4.35Å; I492-L509 HydrophobicContact CD1-CD1 4.44Å; I492-L509 HydrophobicContact CG2-CB 3.96Å; I492-L510 HydrophobicContact CG2-CD2 4.07Å
493	K	98.3	Very high	97.1	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-43	177.7	-66	168.3	-165.1	-178.3	0	112.1	W485 G489 T490 N491 G495 V496 I497 L510 E570 V572 D573 C576	W485-K493 HydrophobicContact CH2-CG 4.37Å; G489-K493 VanDerWaalsContact O-CG 3.28Å; G489-K493 WeakPolarHBondContact O-CG 2.9Å; G489-K493 PolarHBondContact O-N 2.9Å; T490-K493 WeakPolarHBondContact O-CB 2.99Å; T490-K493 PolarHBondContact O-N 3.31Å; N491-K493 VanDerWaalsContact C-N 3.31Å; N491-K493 PolarHBondContact O-N 2.63Å; K493-G495 VanDerWaalsContact C-N 3.32Å; K493-G495 PolarHBondContact O-N 2.89Å; K493-V496 WeakPolarHBondContact O-CB 3.09Å; K493-V496 PolarHBondContact O-N 3.43Å; K493-I497 WeakPolarHBondContact O-CG1 3.49Å; K493-I497 PolarHBondContact O-N 2.84Å; K493-L510 HydrophobicContact CG-CD2 4.02Å; K493-E570 IonicContact NZ-OE1 3.87Å; K493-E570 PolarHBondContact NZ-OE1 3.17Å; K493-E570 IonicContact NZ-OE2 3.81Å; K493-E570 PolarHBondContact NZ-OE2 2.7Å; K493-V572 HydrophobicContact CB-CG1 4.17Å; K493-V572 HydrophobicContact CB-CG2 4.13Å; K493-V572 HydrophobicContact CD-CG1 3.61Å; K493-D573 VanDerWaalsContact CD-OD1 3.23Å; K493-D573 WeakPolarHBondContact CD-OD1 3.47Å; K493-D573 WeakPolarHBondContact CE-OD1 3.38Å; K493-D573 IonicContact NZ-OD1 2.69Å; K493-D573 PolarHBondContact NZ-OD1 2.92Å; K493-C576 HydrophobicContact CB-CB 4.08Å; K493-C576 HydrophobicContact CG-CB 4.39Å
494	L	97.4	Very high	97	Very high	29 Å²	29	42.4 Å²	42.4	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-40.6	173.4	-69.3	172.1	0	0	0	111.5	F398 Y401 T490 N491 V496 I497 E498 V572	F398-L494 HydrophobicContact CD1-CD1 4.46Å; F398-L494 HydrophobicContact CE1-CD1 3.81Å; Y401-L494 HydrophobicContact CE1-CD1 4.11Å; Y401-L494 HydrophobicContact CE2-CD1 3.99Å; T490-L494 HydrophobicContact CG2-CD1 4.2Å; T490-L494 HydrophobicContact CG2-CG 4.49Å; T490-L494 WeakPolarHBondContact O-CG 3.46Å; T490-L494 PolarHBondContact O-N 2.75Å; N491-L494 PolarHBondContact O-N 3.06Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 3.14Å; L494-I497 WeakPolarHBondContact O-CB 3.31Å; L494-I497 PolarHBondContact O-N 3.19Å; L494-E498 WeakPolarHBondContact O-CB 3.45Å; L494-E498 WeakPolarHBondContact O-CG 3.38Å; L494-E498 PolarHBondContact O-N 2.79Å; L494-V572 HydrophobicContact CD2-CG2 4.01Å; L494-V572 HydrophobicContact CG-CG2 4.44Å
495	G	97.6	Very high	97	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-39	174.1	0	0	0	0	0	113.4	N491 I492 K493 I497 D499 L506	N491-G495 PolarHBondContact O-N 2.82Å; I492-G495 PolarHBondContact O-N 3.19Å; K493-G495 VanDerWaalsContact C-N 3.32Å; K493-G495 PolarHBondContact O-N 2.89Å; G495-I497 PolarHBondContact O-N 2.75Å; G495-D499 WeakPolarHBondContact O-CA 3.46Å; G495-D499 WeakPolarHBondContact O-CB 3.25Å; G495-D499 PolarHBondContact O-N 3Å; G495-L506 VanDerWaalsContact C-CD1 3.47Å; G495-L506 WeakPolarHBondContact O-CD1 3.24Å
496	V	98.1	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-33.8	176.6	171.2	0	0	0	0	111.9	I492 K493 L494 R503 L506 L510 L580	I492-V496 PolarHBondContact O-N 2.95Å; I492-V496 VanDerWaalsContact O-N 3.12Å; K493-V496 WeakPolarHBondContact O-CB 3.09Å; K493-V496 PolarHBondContact O-N 3.43Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 3.14Å; V496-R503 HydrophobicContact CG1-CG 4.11Å; V496-R503 PolarHBondContact O-NE 2.97Å; V496-L506 HydrophobicContact CG2-CB 3.68Å; V496-L510 HydrophobicContact CG2-CD1 4.26Å; V496-L510 HydrophobicContact CG2-CD2 4.16Å; V496-L510 HydrophobicContact CG2-CG 4.38Å; V496-L580 HydrophobicContact CG1-CB 4.34Å
497	I	96.9	Very high	97	Very high	52 Å²	52	38.6 Å²	38.6	27%	0.267	20%	0.201	S	C	.	.	H	α-helix	trans	-74.9	-52.5	178.7	-59.7	165.9	0	0	0	109.9	K493 L494 G495 V572 A579	K493-I497 WeakPolarHBondContact O-CG1 3.49Å; K493-I497 PolarHBondContact O-N 2.84Å; L494-I497 WeakPolarHBondContact O-CB 3.31Å; L494-I497 PolarHBondContact O-N 3.19Å; G495-I497 PolarHBondContact O-N 2.75Å; I497-V572 HydrophobicContact CD1-CG2 3.98Å; I497-A579 HydrophobicContact CB-CB 4.43Å; I497-A579 HydrophobicContact CG1-CB 4.12Å
498	E	95.3	Very high	97	Very high	74 Å²	74	39 Å²	39	35%	0.346	20%	0.202	S	C	.	.	H	α-helix	trans	-81.7	-40.5	-170.3	-64.1	174.9	-168.2	0	0	114.1	Y401 L494 H500	Y401-E498 VanDerWaalsContact CE1-OE1 3.32Å; Y401-E498 WeakPolarHBondContact CE1-OE1 3.29Å; Y401-E498 PolarHBondContact OH-OE1 2.98Å; Y401-E498 PolarHBondContact OH-OE2 2.78Å; L494-E498 WeakPolarHBondContact O-CB 3.45Å; L494-E498 WeakPolarHBondContact O-CG 3.38Å; L494-E498 PolarHBondContact O-N 2.79Å; E498-H500 PolarHBondContact O-N 3.07Å
499	D	95.9	Very high	97	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.118	20%	0.204	C	C	.	.			trans	-101.1	82.3	-171.5	-169.1	-15.1	0	0	0	112	Y429 G495 S501 N502 R503 L506	Y429-D499 HydrophobicContact CD1-CB 4.43Å; Y429-D499 HydrophobicContact CE1-CB 3.62Å; Y429-D499 PolarHBondContact OH-OD2 3.47Å; G495-D499 WeakPolarHBondContact O-CA 3.46Å; G495-D499 WeakPolarHBondContact O-CB 3.25Å; G495-D499 PolarHBondContact O-N 3Å; D499-S501 PolarHBondContact O-N 2.94Å; D499-S501 VanDerWaalsContact O-N 3.15Å; D499-S501 PolarHBondContact OD1-N 3.4Å; D499-S501 VanDerWaalsContact OD1-N 3.14Å; D499-S501 PolarHBondContact OD1-OG 3.05Å; D499-N502 PolarHBondContact O-N 2.93Å; D499-N502 PolarHBondContact OD1-N 2.87Å; D499-N502 PolarHBondContact OD1-ND2 3.06Å; D499-N502 PolarHBondContact OD2-ND2 3.43Å; D499-R503 PolarHBondContact O-N 3.29Å; D499-L506 HydrophobicContact CB-CD1 4.21Å
500	H	95.1	Very high	97	Very high	134 Å²	134	39.3 Å²	39.3	62%	0.62	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.5	176.1	-58.3	-56.8	0	0	0	113.4	E498 R503	E498-H500 PolarHBondContact O-N 3.07Å; H500-R503 PolarHBondContact CE1-NH2 2.76Å; H500-R503 PolarHBondContact ND1-NH2 2.87Å
501	S	95.6	Very high	97	Very high	103 Å²	103	37.9 Å²	37.9	72%	0.72	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.9	-174	70.4	0	0	0	0	113.1	D499	D499-S501 PolarHBondContact O-N 2.94Å; D499-S501 VanDerWaalsContact O-N 3.15Å; D499-S501 PolarHBondContact OD1-N 3.4Å; D499-S501 VanDerWaalsContact OD1-N 3.14Å; D499-S501 PolarHBondContact OD1-OG 3.05Å
502	N	96.5	Very high	97	Very high	34 Å²	34	38.2 Å²	38.2	18%	0.182	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	2.8	177.7	-66.4	-64.7	0	0	0	113.5	V465 L469 D499 T504 R505 L506	V465-N502 WeakPolarHBondContact CG1-ND2 3.4Å; L469-N502 HydrophobicContact CD1-CB 3.75Å; D499-N502 PolarHBondContact O-N 2.93Å; D499-N502 PolarHBondContact OD1-N 2.87Å; D499-N502 PolarHBondContact OD1-ND2 3.06Å; D499-N502 PolarHBondContact OD2-ND2 3.43Å; N502-T504 VanDerWaalsContact C-N 3.32Å; N502-T504 PolarHBondContact O-N 3.28Å; N502-R505 WeakPolarHBondContact O-CA 3.44Å; N502-R505 WeakPolarHBondContact O-CB 3.47Å; N502-R505 PolarHBondContact O-N 2.75Å; N502-L506 HydrophobicContact CB-CD1 4.04Å; N502-L506 HydrophobicContact CB-CG 4.38Å; N502-L506 PolarHBondContact O-N 3.25Å
503	R	96	Very high	97	Very high	47 Å²	47	40.6 Å²	40.6	18%	0.177	21%	0.205	C	C	.	.	H	α-helix	trans	-48.3	-47.8	-176.2	-175.5	178.5	-68.6	159.3	-15.6	113.8	V496 D499 H500 R505 L506 A507 A579 L580	V496-R503 HydrophobicContact CG1-CG 4.11Å; V496-R503 PolarHBondContact O-NE 2.97Å; D499-R503 PolarHBondContact O-N 3.29Å; H500-R503 PolarHBondContact CE1-NH2 2.76Å; H500-R503 PolarHBondContact ND1-NH2 2.87Å; R503-R505 VanDerWaalsContact C-N 3.29Å; R503-R505 PolarHBondContact O-N 2.94Å; R503-L506 PolarHBondContact O-N 2.68Å; R503-A507 WeakPolarHBondContact O-CB 3.46Å; R503-A507 PolarHBondContact O-N 3.16Å; R503-A579 WeakPolarHBondContact CD-O 3.3Å; R503-A579 PolarHBondContact NE-O 3Å; R503-A579 PolarHBondContact NH1-O 3.47Å; R503-A579 PolarHBondContact NH2-O 3.2Å; R503-L580 HydrophobicContact CG-CD1 3.85Å
504	T	95.4	Very high	96.9	Very high	107 Å²	107	40.6 Å²	40.6	66%	0.656	21%	0.205	S	C	*	.	H	α-helix	trans	-62.7	-35.8	179.3	-53.9	0	0	0	0	112.4	N502	N502-T504 VanDerWaalsContact C-N 3.32Å; N502-T504 PolarHBondContact O-N 3.28Å
505	R	96.3	Very high	97	Very high	87 Å²	87	41 Å²	41	33%	0.328	21%	0.21	S	C	.	.	H	α-helix	trans	-73.1	-42.4	177.5	-176	-176.4	-72	-126.9	-6.2	111.1	L469 D470 N502 R503 A507 K508	L469-R505 HydrophobicContact CB-CG 4.39Å; L469-R505 HydrophobicContact CD1-CG 4.3Å; D470-R505 IonicContact OD1-CZ 3.21Å; D470-R505 IonicContact OD1-NH1 2.72Å; D470-R505 PolarHBondContact OD1-NH1 2.83Å; N502-R505 WeakPolarHBondContact O-CA 3.44Å; N502-R505 WeakPolarHBondContact O-CB 3.47Å; N502-R505 PolarHBondContact O-N 2.75Å; R503-R505 VanDerWaalsContact C-N 3.29Å; R503-R505 PolarHBondContact O-N 2.94Å; R505-A507 VanDerWaalsContact C-N 3.35Å; R505-K508 PolarHBondContact O-N 3.41Å
506	L	97.8	Very high	96.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-36.8	176.4	-72.1	163.4	0	0	0	112	Y429 L469 I492 G495 V496 D499 N502 R503 K508 L509 L510	Y429-L506 HydrophobicContact CE2-CD1 4.15Å; Y429-L506 HydrophobicContact CE2-CD2 3.9Å; L469-L506 HydrophobicContact CD1-CD2 4.43Å; L469-L506 HydrophobicContact CD1-CG 4.4Å; L469-L506 HydrophobicContact CD2-CD2 3.57Å; L469-L506 HydrophobicContact CD2-CG 4.39Å; I492-L506 HydrophobicContact CD1-CD2 4.41Å; I492-L506 HydrophobicContact CG2-CD2 4.35Å; G495-L506 VanDerWaalsContact C-CD1 3.47Å; G495-L506 WeakPolarHBondContact O-CD1 3.24Å; V496-L506 HydrophobicContact CG2-CB 3.68Å; D499-L506 HydrophobicContact CB-CD1 4.21Å; N502-L506 HydrophobicContact CB-CD1 4.04Å; N502-L506 HydrophobicContact CB-CG 4.38Å; N502-L506 PolarHBondContact O-N 3.25Å; R503-L506 PolarHBondContact O-N 2.68Å; L506-K508 PolarHBondContact O-N 3.36Å; L506-L509 WeakPolarHBondContact O-CA 3.41Å; L506-L509 WeakPolarHBondContact O-CB 3.1Å; L506-L509 PolarHBondContact O-N 3.11Å; L506-L510 PolarHBondContact O-N 3.34Å
507	A	97.8	Very high	96.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-33.6	178.2	0	0	0	0	0	112.8	R503 R505 L509 L510 L580 F583	R503-A507 WeakPolarHBondContact O-CB 3.46Å; R503-A507 PolarHBondContact O-N 3.16Å; R505-A507 VanDerWaalsContact C-N 3.35Å; A507-L509 PolarHBondContact O-N 3.29Å; A507-L510 HydrophobicContact CB-CD1 4.47Å; A507-L510 WeakPolarHBondContact O-CB 3.36Å; A507-L510 PolarHBondContact O-N 2.88Å; A507-L580 HydrophobicContact CB-CD1 3.92Å; A507-L580 HydrophobicContact CB-CD2 3.89Å; A507-F583 HydrophobicContact CB-CD2 3.81Å; A507-F583 HydrophobicContact CB-CE2 3.92Å
508	K	96.9	Very high	96.7	Very high	77 Å²	77	52 Å²	52	34%	0.335	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.3	175.9	-62.1	-168	175.5	-131.8	0	113.7	R505 L506 R511 D525 F583	R505-K508 PolarHBondContact O-N 3.41Å; L506-K508 PolarHBondContact O-N 3.36Å; K508-R511 PolarHBondContact O-NH1 3.11Å; K508-R511 VanDerWaalsContact O-NH1 3.17Å; K508-D525 IonicContact NZ-OD1 3.78Å; K508-F583 HydrophobicContact CG-CE2 3.99Å; K508-F583 HydrophobicContact CG-CZ 4.16Å
509	L	97.8	Very high	96.6	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-14.4	175.8	-62.4	178.6	0	0	0	111.8	L469 I472 K473 Y480 W485 I492 L506 A507 R511	L469-L509 HydrophobicContact CD2-CD1 4.36Å; I472-L509 HydrophobicContact CB-CD1 4.42Å; I472-L509 HydrophobicContact CG2-CD1 3.82Å; I472-L509 HydrophobicContact CG2-CD2 4.21Å; K473-L509 HydrophobicContact CB-CD2 4.24Å; Y480-L509 WeakPolarHBondContact CE1-O 3.18Å; Y480-L509 HydrophobicContact CE2-CD2 4.31Å; Y480-L509 WeakPolarHBondContact OH-CB 3.46Å; Y480-L509 PolarHBondContact OH-O 3.37Å; W485-L509 VanDerWaalsContact CZ3-O 3.24Å; W485-L509 WeakPolarHBondContact CZ3-O 3.38Å; I492-L509 HydrophobicContact CD1-CD1 4.44Å; I492-L509 HydrophobicContact CG2-CB 3.96Å; L506-L509 WeakPolarHBondContact O-CA 3.41Å; L506-L509 WeakPolarHBondContact O-CB 3.1Å; L506-L509 PolarHBondContact O-N 3.11Å; A507-L509 PolarHBondContact O-N 3.29Å; L509-R511 PolarHBondContact O-NH1 2.84Å
510	L	98.2	Very high	96.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.			trans	-61.9	141.3	-179.8	-64.4	173.9	0	0	0	111.9	W485 I492 K493 V496 L506 A507 F512 L524 L580	W485-L510 HydrophobicContact CH2-CB 4.38Å; W485-L510 HydrophobicContact CH2-CD2 3.87Å; I492-L510 HydrophobicContact CG2-CD2 4.07Å; K493-L510 HydrophobicContact CG-CD2 4.02Å; V496-L510 HydrophobicContact CG2-CD1 4.26Å; V496-L510 HydrophobicContact CG2-CD2 4.16Å; V496-L510 HydrophobicContact CG2-CG 4.38Å; L506-L510 PolarHBondContact O-N 3.34Å; A507-L510 HydrophobicContact CB-CD1 4.47Å; A507-L510 WeakPolarHBondContact O-CB 3.36Å; A507-L510 PolarHBondContact O-N 2.88Å; L510-F512 HydrophobicContact CB-CD2 4.41Å; L510-F512 HydrophobicContact CB-CE2 3.66Å; L510-F512 HydrophobicContact CB-CZ 4.09Å; L510-F512 HydrophobicContact CD1-CE2 3.93Å; L510-F512 HydrophobicContact CD1-CZ 4.02Å; L510-F512 HydrophobicContact CD2-CZ 4.19Å; L510-F512 HydrophobicContact CG-CE2 4.27Å; L510-F512 HydrophobicContact CG-CZ 4.33Å; L510-L524 HydrophobicContact CB-CD1 4.41Å; L510-L524 HydrophobicContact CD1-CD1 4.02Å; L510-L580 HydrophobicContact CD1-CD2 4.33Å
511	R	97.9	Very high	96.6	Very high	18 Å²	18	52.1 Å²	52.1	7%	0.068	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.2	169.6	-57.3	-71.2	-178.3	-90.6	5.2	109.7	D477 Y480 N481 W485 K508 L509 I521 T522 S523	D477-R511 IonicContact OD1-NH2 2.86Å; Y480-R511 HydrophobicContact CD1-CG 4.09Å; Y480-R511 HydrophobicContact CE1-CG 3.69Å; N481-R511 WeakPolarHBondContact OD1-CD 3.18Å; N481-R511 PolarHBondContact OD1-NE 2.97Å; W485-R511 HydrophobicContact CD2-CB 3.69Å; W485-R511 HydrophobicContact CD2-CG 3.98Å; W485-R511 HydrophobicContact CE3-CB 4.14Å; W485-R511 HydrophobicContact CE3-CG 4.06Å; W485-R511 HydrophobicContact CG-CB 4.04Å; W485-R511 HydrophobicContact CG-CG 4.28Å; W485-R511 HydrophobicContact CZ2-CB 4.07Å; W485-R511 WeakPolarHBondContact CZ2-O 3.31Å; W485-R511 PolarHBondContact NE1-O 3.49Å; K508-R511 PolarHBondContact O-NH1 3.11Å; K508-R511 VanDerWaalsContact O-NH1 3.17Å; L509-R511 PolarHBondContact O-NH1 2.84Å; R511-I521 HydrophobicContact CB-CB 4.1Å; R511-I521 HydrophobicContact CB-CD1 3.66Å; R511-I521 HydrophobicContact CB-CG1 3.99Å; R511-I521 HydrophobicContact CG-CD1 4.08Å; R511-I521 HydrophobicContact CG-CG1 4.45Å; R511-T522 CarbonylContact C-O 3.54Å; R511-T522 VanDerWaalsContact CA-O 3.3Å; R511-T522 WeakPolarHBondContact CA-O 3.33Å; R511-S523 VanDerWaalsContact NH1-CB 3.3Å
512	F	98.1	Very high	96.7	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.4	177.5	-59.8	-74.2	0	0	0	110.7	L510 I521 T522 L524 I566 L568 I577	L510-F512 HydrophobicContact CB-CD2 4.41Å; L510-F512 HydrophobicContact CB-CE2 3.66Å; L510-F512 HydrophobicContact CB-CZ 4.09Å; L510-F512 HydrophobicContact CD1-CE2 3.93Å; L510-F512 HydrophobicContact CD1-CZ 4.02Å; L510-F512 HydrophobicContact CD2-CZ 4.19Å; L510-F512 HydrophobicContact CG-CE2 4.27Å; L510-F512 HydrophobicContact CG-CZ 4.33Å; F512-I521 CarbonylContact O-C 3.56Å; F512-I521 WeakPolarHBondContact O-CA 3.34Å; F512-T522 PolarHBondContact N-O 3.16Å; F512-T522 PolarHBondContact O-N 2.76Å; F512-L524 HydrophobicContact CD2-CD2 4.18Å; F512-L524 HydrophobicContact CE2-CD2 4.25Å; F512-I566 HydrophobicContact CB-CG2 3.44Å; F512-I566 VanDerWaalsContact CB-CG2 3.44Å; F512-I566 HydrophobicContact CD2-CG2 4.18Å; F512-I566 HydrophobicContact CG-CG2 3.85Å; F512-L568 HydrophobicContact CD1-CD2 3.49Å; F512-L568 VanDerWaalsContact CD1-CD2 3.49Å; F512-L568 HydrophobicContact CE1-CD2 3.71Å; F512-L568 HydrophobicContact CG-CD2 4Å; F512-L568 HydrophobicContact CZ-CD2 4.38Å; F512-I577 HydrophobicContact CE2-CD1 3.95Å; F512-I577 HydrophobicContact CZ-CD1 3.85Å; F512-I577 HydrophobicContact CZ-CG1 4.48Å
513	Q	97.6	Very high	96.8	Very high	50 Å²	50	46.5 Å²	46.5	23%	0.234	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	150.9	167.6	-70.5	-174.4	40	0	0	110	I521 R546 I566 Y567	Q513-I521 HydrophobicContact CG-CG2 4.1Å; Q513-R546 VanDerWaalsContact OE1-CD 3.25Å; Q513-R546 VanDerWaalsContact OE1-CG 3.25Å; Q513-I566 WeakPolarHBondContact O-CA 3.44Å; Q513-Y567 PolarHBondContact O-N 3.17Å
514	S	97.8	Very high	96.8	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.9	-177.2	173	0	0	0	0	111.8	H516 H517 R546 E564 V565	S514-H516 PolarHBondContact O-N 3.15Å; S514-H516 PolarHBondContact OG-N 2.63Å; S514-H517 PolarHBondContact O-N 3.33Å; S514-R546 PolarHBondContact O-NH2 3.02Å; S514-E564 WeakPolarHBondContact CB-OE1 3.28Å; S514-E564 WeakPolarHBondContact OG-CG 3.21Å; S514-E564 PolarHBondContact OG-OE1 3.43Å; S514-V565 CarbonylContact C-O 3.45Å; S514-V565 WeakPolarHBondContact CA-O 3.33Å
515	S	97.8	Very high	96.9	Very high	36 Å²	36	41.3 Å²	41.3	25%	0.252	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.3	170.7	73.9	0	0	0	0	113.9	H517 L559 E564 V565 Y567	S515-H517 VanDerWaalsContact C-N 3.32Å; S515-L559 WeakPolarHBondContact OG-CD2 3.45Å; S515-E564 WeakPolarHBondContact OG-CA 3.33Å; S515-V565 PolarHBondContact N-O 3.09Å; S515-V565 PolarHBondContact OG-N 2.75Å; S515-Y567 WeakPolarHBondContact CB-OH 3.28Å
516	H	96.6	Very high	97	Very high	120 Å²	120	40.5 Å²	40.5	56%	0.556	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.5	174.5	-173.1	68.4	0	0	0	112.6	S514 E564	S514-H516 PolarHBondContact O-N 3.15Å; S514-H516 PolarHBondContact OG-N 2.63Å; H516-E564 HydrophobicContact CB-CG 4.12Å
517	H	96.2	Very high	97	Very high	72 Å²	72	40.6 Å²	40.6	33%	0.333	21%	0.214	S	C	.	.	S	Bend	trans	-141.6	143.4	-178.9	-164.5	-95.7	0	0	0	112.5	S514 S515 T519 D520 R546	S514-H517 PolarHBondContact O-N 3.33Å; S515-H517 VanDerWaalsContact C-N 3.32Å; H517-T519 PolarHBondContact CE1-OG1 3.07Å; H517-T519 PolarHBondContact ND1-N 3Å; H517-T519 PolarHBondContact ND1-OG1 2.88Å; H517-T519 PolarHBondContact O-N 3.48Å; H517-D520 HydrophobicContact CB-CB 4.28Å; H517-D520 IonicContact CE1-OD1 3.58Å; H517-D520 PolarHBondContact CE1-OD1 3.32Å; H517-D520 IonicContact CE1-OD2 2.69Å; H517-D520 PolarHBondContact CE1-OD2 2.65Å; H517-D520 VanDerWaalsContact CE1-OD2 3.25Å; H517-D520 IonicContact CG-OD2 3.36Å; H517-D520 VanDerWaalsContact ND1-CB 3.32Å; H517-D520 WeakPolarHBondContact ND1-CB 3.23Å; H517-D520 PolarHBondContact ND1-N 3.31Å; H517-D520 IonicContact ND1-OD1 2.68Å; H517-D520 PolarHBondContact ND1-OD1 3.38Å; H517-D520 IonicContact ND1-OD2 2.84Å; H517-D520 PolarHBondContact ND1-OD2 3.13Å; H517-D520 IonicContact NE2-OD2 3.58Å; H517-R546 PolarHBondContact O-NH2 3.27Å
518	P	94.3	Very high	96.9	Very high	93 Å²	93	42.1 Å²	42.1	60%	0.604	22%	0.223	S	C	*	.	S	Bend	trans	-61.5	-36.7	-177.3	-26.7	36.4	0	0	0	114.8	R546	P518-R546 PolarHBondContact O-NH1 3.01Å; P518-R546 PolarHBondContact O-NH2 3.32Å
519	T	92.5	Very high	96.9	Very high	96 Å²	96	46 Å²	46	59%	0.589	24%	0.242	S	C	*	.	S	Bend	trans	-124.3	-48.8	-170.8	48.3	0	0	0	0	113.3	H517	H517-T519 PolarHBondContact CE1-OG1 3.07Å; H517-T519 PolarHBondContact ND1-N 3Å; H517-T519 PolarHBondContact ND1-OG1 2.88Å; H517-T519 PolarHBondContact O-N 3.48Å
520	D	95.2	Very high	96.9	Very high	96 Å²	96	49.4 Å²	49.4	51%	0.513	26%	0.255	S	S	.	.			trans	-58.5	144.2	-173.6	-54.3	4.1	0	0	0	113	H517	H517-D520 HydrophobicContact CB-CB 4.28Å; H517-D520 IonicContact CE1-OD1 3.58Å; H517-D520 PolarHBondContact CE1-OD1 3.32Å; H517-D520 IonicContact CE1-OD2 2.69Å; H517-D520 PolarHBondContact CE1-OD2 2.65Å; H517-D520 VanDerWaalsContact CE1-OD2 3.25Å; H517-D520 IonicContact CG-OD2 3.36Å; H517-D520 VanDerWaalsContact ND1-CB 3.32Å; H517-D520 WeakPolarHBondContact ND1-CB 3.23Å; H517-D520 PolarHBondContact ND1-N 3.31Å; H517-D520 IonicContact ND1-OD1 2.68Å; H517-D520 PolarHBondContact ND1-OD1 3.38Å; H517-D520 IonicContact ND1-OD2 2.84Å; H517-D520 PolarHBondContact ND1-OD2 3.13Å; H517-D520 IonicContact NE2-OD2 3.58Å
521	I	97	Very high	96.8	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	148.1	176.2	63.6	-176.1	0	0	0	110.1	N481 W485 R511 F512 Q513	N481-I521 HydrophobicContact CB-CD1 3.81Å; N481-I521 HydrophobicContact CB-CG1 4.01Å; W485-I521 HydrophobicContact CB-CD1 4.21Å; W485-I521 HydrophobicContact CG-CD1 3.92Å; R511-I521 HydrophobicContact CB-CB 4.1Å; R511-I521 HydrophobicContact CB-CD1 3.66Å; R511-I521 HydrophobicContact CB-CG1 3.99Å; R511-I521 HydrophobicContact CG-CD1 4.08Å; R511-I521 HydrophobicContact CG-CG1 4.45Å; F512-I521 CarbonylContact O-C 3.56Å; F512-I521 WeakPolarHBondContact O-CA 3.34Å; Q513-I521 HydrophobicContact CG-CG2 4.1Å
522	T	97.2	Very high	96.6	Very high	10 Å²	10	53.2 Å²	53.2	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.8	179.1	-176.7	0	0	0	0	110.6	R511 F512 Q526 R530	R511-T522 CarbonylContact C-O 3.54Å; R511-T522 VanDerWaalsContact CA-O 3.3Å; R511-T522 WeakPolarHBondContact CA-O 3.33Å; F512-T522 PolarHBondContact N-O 3.16Å; F512-T522 PolarHBondContact O-N 2.76Å; T522-Q526 VanDerWaalsContact OG1-CB 3.27Å; T522-Q526 WeakPolarHBondContact OG1-CB 3.21Å; T522-Q526 PolarHBondContact OG1-OE1 3.44Å; T522-R530 PolarHBondContact OG1-NH2 3.38Å
523	S	97.6	Very high	96.2	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	164.6	165.8	69.2	0	0	0	0	111.8	R511 Q526 Y527	R511-S523 VanDerWaalsContact NH1-CB 3.3Å; S523-Q526 VanDerWaalsContact OG-CB 3.28Å; S523-Q526 WeakPolarHBondContact OG-CB 3.31Å; S523-Q526 VanDerWaalsContact OG-CG 3.24Å; S523-Q526 WeakPolarHBondContact OG-CG 3.45Å; S523-Q526 PolarHBondContact OG-N 2.85Å; S523-Q526 VanDerWaalsContact OG-N 3.11Å; S523-Q526 PolarHBondContact OG-OE1 3.08Å; S523-Y527 PolarHBondContact O-N 2.9Å; S523-Y527 VanDerWaalsContact O-N 3.15Å
524	L	97.7	Very high	95.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-35.4	171.8	-65.8	179.2	0	0	0	112.3	L510 F512 Q526 Y527 V528 I566 L580 F583 F588	L510-L524 HydrophobicContact CB-CD1 4.41Å; L510-L524 HydrophobicContact CD1-CD1 4.02Å; F512-L524 HydrophobicContact CD2-CD2 4.18Å; F512-L524 HydrophobicContact CE2-CD2 4.25Å; L524-Q526 PolarHBondContact O-N 2.95Å; L524-Y527 WeakPolarHBondContact O-CB 3.43Å; L524-Y527 PolarHBondContact O-N 2.88Å; L524-V528 WeakPolarHBondContact O-CG2 3.45Å; L524-V528 PolarHBondContact O-N 3.03Å; L524-I566 HydrophobicContact CD2-CD1 3.65Å; L524-L580 HydrophobicContact CD1-CD2 4.14Å; L524-F583 HydrophobicContact CB-CD1 3.73Å; L524-F583 HydrophobicContact CB-CD2 4.11Å; L524-F583 HydrophobicContact CB-CE1 3.48Å; L524-F583 VanDerWaalsContact CB-CE1 3.48Å; L524-F583 HydrophobicContact CB-CE2 3.85Å; L524-F583 HydrophobicContact CB-CG 4.04Å; L524-F583 HydrophobicContact CB-CZ 3.54Å; L524-F583 HydrophobicContact CD1-CB 4.4Å; L524-F583 HydrophobicContact CD1-CD1 4.43Å; L524-F583 HydrophobicContact CD1-CD2 3.61Å; L524-F583 HydrophobicContact CD1-CE2 3.93Å; L524-F583 HydrophobicContact CD1-CG 3.88Å; L524-F583 HydrophobicContact CD1-CZ 4.47Å; L524-F588 HydrophobicContact CD1-CE1 4.43Å; L524-F588 HydrophobicContact CD1-CZ 3.98Å; L524-F588 HydrophobicContact CD2-CE1 4.06Å; L524-F588 HydrophobicContact CD2-CZ 4.39Å
525	D	97	Very high	95.5	Very high	46 Å²	46	68 Å²	68	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-58.7	-48.7	174.4	-68.1	-59.8	0	0	0	110.1	K508 Y527 V528 E529 F583	K508-D525 IonicContact NZ-OD1 3.78Å; D525-Y527 VanDerWaalsContact C-N 3.33Å; D525-Y527 PolarHBondContact O-N 3.42Å; D525-V528 PolarHBondContact O-N 3.15Å; D525-V528 VanDerWaalsContact O-N 3.1Å; D525-E529 WeakPolarHBondContact O-CG 3.4Å; D525-E529 PolarHBondContact O-N 3.37Å; D525-F583 WeakPolarHBondContact OD1-CZ 2.8Å
526	Q	97.2	Very high	95.2	Very high	70 Å²	70	70.6 Å²	70.6	33%	0.327	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-37.1	175.6	-80.2	170.4	-25.1	0	0	113.4	T522 S523 L524 R530	T522-Q526 VanDerWaalsContact OG1-CB 3.27Å; T522-Q526 WeakPolarHBondContact OG1-CB 3.21Å; T522-Q526 PolarHBondContact OG1-OE1 3.44Å; S523-Q526 VanDerWaalsContact OG-CB 3.28Å; S523-Q526 WeakPolarHBondContact OG-CB 3.31Å; S523-Q526 VanDerWaalsContact OG-CG 3.24Å; S523-Q526 WeakPolarHBondContact OG-CG 3.45Å; S523-Q526 PolarHBondContact OG-N 2.85Å; S523-Q526 VanDerWaalsContact OG-N 3.11Å; S523-Q526 PolarHBondContact OG-OE1 3.08Å; L524-Q526 PolarHBondContact O-N 2.95Å; Q526-R530 PolarHBondContact O-N 2.81Å; Q526-R530 PolarHBondContact O-NH1 2.82Å
527	Y	98.1	Very high	95.2	Very high	1 Å²	1	67.1 Å²	67.1	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-47.3	173.2	-179.7	-78.5	0	0	0	110.5	S523 L524 D525 E529 R530 M531 Q535 I538 Y539 E564 I566	S523-Y527 PolarHBondContact O-N 2.9Å; S523-Y527 VanDerWaalsContact O-N 3.15Å; L524-Y527 WeakPolarHBondContact O-CB 3.43Å; L524-Y527 PolarHBondContact O-N 2.88Å; D525-Y527 VanDerWaalsContact C-N 3.33Å; D525-Y527 PolarHBondContact O-N 3.42Å; Y527-E529 VanDerWaalsContact C-N 3.31Å; Y527-E529 PolarHBondContact O-N 3.02Å; Y527-R530 CarbonylContact O-C 3.54Å; Y527-R530 PolarHBondContact O-N 3.16Å; Y527-M531 HydrophobicContact CD1-CG 3.8Å; Y527-M531 HydrophobicContact CD1-SD 4.1Å; Y527-M531 HydrophobicContact CE1-CG 3.61Å; Y527-M531 HydrophobicContact CE1-SD 3.97Å; Y527-M531 WeakPolarHBondContact O-CG 3.27Å; Y527-M531 PolarHBondContact O-N 2.9Å; Y527-M531 VanDerWaalsContact O-N 3.1Å; Y527-Q535 PolarHBondContact OH-NE2 3.36Å; Y527-I538 HydrophobicContact CD1-CB 4.37Å; Y527-I538 HydrophobicContact CD1-CD1 4.49Å; Y527-I538 HydrophobicContact CD1-CG1 3.94Å; Y527-I538 HydrophobicContact CD1-CG2 3.91Å; Y527-I538 HydrophobicContact CE1-CB 3.88Å; Y527-I538 HydrophobicContact CE1-CG1 3.75Å; Y527-I538 HydrophobicContact CE1-CG2 3.63Å; Y527-I538 HydrophobicContact CE2-CG2 4.34Å; Y527-I538 HydrophobicContact CG-CG2 4.42Å; Y527-Y539 PolarHBondContact OH-N 3.35Å; Y527-E564 HydrophobicContact CD2-CB 4.23Å; Y527-E564 HydrophobicContact CD2-CG 3.79Å; Y527-E564 HydrophobicContact CE2-CB 3.68Å; Y527-E564 HydrophobicContact CE2-CG 3.61Å; Y527-E564 WeakPolarHBondContact CE2-O 3.49Å; Y527-E564 PolarHBondContact OH-O 3.27Å; Y527-I566 HydrophobicContact CD2-CD1 3.85Å; Y527-I566 HydrophobicContact CD2-CG1 3.68Å; Y527-I566 HydrophobicContact CE2-CD1 4.24Å; Y527-I566 HydrophobicContact CE2-CG1 3.85Å; Y527-I566 HydrophobicContact CG-CD1 4.22Å
528	V	97.1	Very high	95.2	Very high	34 Å²	34	63.7 Å²	63.7	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-39.4	-179	173.4	0	0	0	0	111.5	L524 D525 R530 M531 I538 F583	L524-V528 WeakPolarHBondContact O-CG2 3.45Å; L524-V528 PolarHBondContact O-N 3.03Å; D525-V528 PolarHBondContact O-N 3.15Å; D525-V528 VanDerWaalsContact O-N 3.1Å; V528-R530 PolarHBondContact O-N 3.38Å; V528-M531 HydrophobicContact CB-SD 4.24Å; V528-M531 HydrophobicContact CG1-SD 4.29Å; V528-M531 HydrophobicContact CG2-SD 3.99Å; V528-M531 WeakPolarHBondContact O-CB 3.06Å; V528-M531 PolarHBondContact O-N 3.25Å; V528-I538 HydrophobicContact CG2-CD1 4.2Å; V528-F583 HydrophobicContact CG2-CD1 3.93Å; V528-F583 HydrophobicContact CG2-CE1 4.15Å
529	E	96.8	Very high	95.4	Very high	159 Å²	159	59.8 Å²	59.8	74%	0.743	29%	0.29	S	S	*	.	H	α-helix	trans	-60.6	-30.6	174.6	-72.1	174.2	176.4	0	0	113.3	D525 Y527	D525-E529 WeakPolarHBondContact O-CG 3.4Å; D525-E529 PolarHBondContact O-N 3.37Å; Y527-E529 VanDerWaalsContact C-N 3.31Å; Y527-E529 PolarHBondContact O-N 3.02Å
530	R	96.9	Very high	95.6	Very high	80 Å²	80	55.8 Å²	55.8	30%	0.302	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	0.2	178.9	-65.7	-173.7	-61.1	-92.2	0.1	114	T522 Q526 Y527 V528 E564	T522-R530 PolarHBondContact OG1-NH2 3.38Å; Q526-R530 PolarHBondContact O-N 2.81Å; Q526-R530 PolarHBondContact O-NH1 2.82Å; Y527-R530 CarbonylContact O-C 3.54Å; Y527-R530 PolarHBondContact O-N 3.16Å; V528-R530 PolarHBondContact O-N 3.38Å; R530-E564 IonicContact CZ-OE1 2.75Å; R530-E564 IonicContact CZ-OE2 3.32Å; R530-E564 IonicContact NE-OE1 3.77Å; R530-E564 IonicContact NE-OE2 3.09Å; R530-E564 PolarHBondContact NE-OE2 3.28Å; R530-E564 IonicContact NH2-OE1 3.88Å; R530-E564 PolarHBondContact NH2-OE1 3.39Å; R530-E564 IonicContact NH2-OE2 2.75Å
531	M	96.2	Very high	95.7	Very high	26 Å²	26	51.6 Å²	51.6	13%	0.128	24%	0.242	C	C	.	.	S	Bend	trans	-63.1	144.8	176.3	-73.5	177.6	74.5	0	0	110.9	Y527 V528 Q535 K537 I538 K586	Y527-M531 HydrophobicContact CD1-CG 3.8Å; Y527-M531 HydrophobicContact CD1-SD 4.1Å; Y527-M531 HydrophobicContact CE1-CG 3.61Å; Y527-M531 HydrophobicContact CE1-SD 3.97Å; Y527-M531 WeakPolarHBondContact O-CG 3.27Å; Y527-M531 PolarHBondContact O-N 2.9Å; Y527-M531 VanDerWaalsContact O-N 3.1Å; V528-M531 HydrophobicContact CB-SD 4.24Å; V528-M531 HydrophobicContact CG1-SD 4.29Å; V528-M531 HydrophobicContact CG2-SD 3.99Å; V528-M531 WeakPolarHBondContact O-CB 3.06Å; V528-M531 PolarHBondContact O-N 3.25Å; M531-Q535 HydrophobicContact CB-CB 4.37Å; M531-Q535 HydrophobicContact CE-CB 3.91Å; M531-Q535 HydrophobicContact CE-CG 3.55Å; M531-Q535 VanDerWaalsContact CE-O 3.28Å; M531-Q535 WeakPolarHBondContact CE-O 3.28Å; M531-K537 WeakPolarHBondContact CE-O 3.36Å; M531-I538 HydrophobicContact SD-CG1 4.25Å; M531-K586 HydrophobicContact CE-CB 4.41Å; M531-K586 HydrophobicContact CE-CD 3.95Å; M531-K586 HydrophobicContact CE-CG 4.03Å; M531-K586 HydrophobicContact SD-CD 4.39Å; M531-K586 HydrophobicContact SD-CG 3.97Å
532	K	94.3	Very high	95.7	Very high	72 Å²	72	50 Å²	50	31%	0.313	24%	0.235	S	C	.	.			trans	-69	154.4	173.5	-61.1	178.1	-176.3	162.5	0	110.9	K534 Q535 K561 G562 Y563	K532-K534 PolarHBondContact O-N 3.31Å; K532-Q535 HydrophobicContact CB-CB 4.19Å; K532-Q535 VanDerWaalsContact O-CB 3.25Å; K532-Q535 WeakPolarHBondContact O-CB 3.36Å; K532-Q535 PolarHBondContact O-N 2.84Å; K532-K561 PolarHBondContact NZ-O 2.9Å; K532-G562 WeakPolarHBondContact CE-O 3.14Å; K532-G562 PolarHBondContact NZ-O 3.45Å; K532-G562 VanDerWaalsContact NZ-O 3.15Å; K532-Y563 HydrophobicContact CD-CD1 4.04Å; K532-Y563 HydrophobicContact CD-CE1 3.74Å
533	E	88.8	Confident	95.6	Very high	199 Å²	199	49.6 Å²	49.6	93%	0.93	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-36	-175.8	-65.6	-176.2	167.7	0	0	114.9
534	K	88	Confident	95.4	Very high	165 Å²	165	52.3 Å²	52.3	72%	0.717	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	2.3	179.8	-65.3	-173.1	179.5	-179.1	0	114.4	K532 D536 D599	K532-K534 PolarHBondContact O-N 3.31Å; K534-D536 PolarHBondContact O-N 3.32Å; K534-D599 VanDerWaalsContact CD-OD2 3.22Å; K534-D599 WeakPolarHBondContact CD-OD2 3.26Å
535	Q	93.1	Very high	95.2	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.023	27%	0.268	C	S	.	.			trans	-78.3	119.8	-179.5	-167.7	-176.6	-23	0	0	109.8	Y527 M531 K532 K537 Y539 Y563 K586	Y527-Q535 PolarHBondContact OH-NE2 3.36Å; M531-Q535 HydrophobicContact CB-CB 4.37Å; M531-Q535 HydrophobicContact CE-CB 3.91Å; M531-Q535 HydrophobicContact CE-CG 3.55Å; M531-Q535 VanDerWaalsContact CE-O 3.28Å; M531-Q535 WeakPolarHBondContact CE-O 3.28Å; K532-Q535 HydrophobicContact CB-CB 4.19Å; K532-Q535 VanDerWaalsContact O-CB 3.25Å; K532-Q535 WeakPolarHBondContact O-CB 3.36Å; K532-Q535 PolarHBondContact O-N 2.84Å; Q535-K537 WeakPolarHBondContact CG-O 3.33Å; Q535-K537 PolarHBondContact NE2-O 2.69Å; Q535-Y539 HydrophobicContact CG-CE2 4.01Å; Q535-Y563 HydrophobicContact CB-CE1 4.34Å; Q535-Y563 HydrophobicContact CG-CD1 4.26Å; Q535-Y563 HydrophobicContact CG-CE1 4.08Å; Q535-K586 PolarHBondContact O-NZ 2.86Å
536	D	92.2	Very high	95.2	Very high	91 Å²	91	54.1 Å²	54.1	49%	0.487	26%	0.263	S	S	.	.			trans	-108.6	-4.4	177.9	72.2	-36.8	0	0	0	112.9	K534	K534-D536 PolarHBondContact O-N 3.32Å
537	K	95.4	Very high	95.1	Very high	47 Å²	47	58.3 Å²	58.3	20%	0.204	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.3	-179.2	-54.8	-59.7	175.3	-179.7	0	113.2	M531 Q535 Y539 R587 Q589	M531-K537 WeakPolarHBondContact CE-O 3.36Å; Q535-K537 WeakPolarHBondContact CG-O 3.33Å; Q535-K537 PolarHBondContact NE2-O 2.69Å; K537-Y539 HydrophobicContact CB-CE1 4.12Å; K537-R587 CarbonylContact C-O 3.56Å; K537-R587 VanDerWaalsContact CA-O 3.23Å; K537-R587 WeakPolarHBondContact CA-O 3.43Å; K537-R587 HydrophobicContact CD-CB 3.95Å; K537-Q589 HydrophobicContact CB-CB 3.94Å; K537-Q589 HydrophobicContact CG-CB 4.24Å
538	I	97.4	Very high	94.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.1	166.6	-60.8	173.6	0	0	0	107.5	Y527 V528 M531 I566 F583 K586 R587 F588 Q589	Y527-I538 HydrophobicContact CD1-CB 4.37Å; Y527-I538 HydrophobicContact CD1-CD1 4.49Å; Y527-I538 HydrophobicContact CD1-CG1 3.94Å; Y527-I538 HydrophobicContact CD1-CG2 3.91Å; Y527-I538 HydrophobicContact CE1-CB 3.88Å; Y527-I538 HydrophobicContact CE1-CG1 3.75Å; Y527-I538 HydrophobicContact CE1-CG2 3.63Å; Y527-I538 HydrophobicContact CE2-CG2 4.34Å; Y527-I538 HydrophobicContact CG-CG2 4.42Å; V528-I538 HydrophobicContact CG2-CD1 4.2Å; M531-I538 HydrophobicContact SD-CG1 4.25Å; I538-I566 HydrophobicContact CG2-CD1 3.69Å; I538-F583 HydrophobicContact CD1-CB 4.14Å; I538-F583 HydrophobicContact CD1-CD1 4.44Å; I538-K586 HydrophobicContact CD1-CB 4.09Å; I538-K586 HydrophobicContact CG1-CB 3.99Å; I538-R587 PolarHBondContact N-O 2.92Å; I538-F588 HydrophobicContact CB-CD1 3.88Å; I538-F588 HydrophobicContact CB-CE1 4.12Å; I538-F588 HydrophobicContact CD1-CD1 4.41Å; I538-F588 HydrophobicContact CD1-CE1 3.88Å; I538-F588 HydrophobicContact CD1-CZ 4.02Å; I538-F588 HydrophobicContact CG2-CD1 3.78Å; I538-F588 HydrophobicContact CG2-CE1 3.81Å; I538-F588 CarbonylContact O-C 3.54Å; I538-F588 WeakPolarHBondContact O-CA 3.48Å; I538-Q589 PolarHBondContact O-N 2.88Å
539	Y	97.5	Very high	94.9	Very high	10 Å²	10	59.6 Å²	59.6	4%	0.039	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.6	-178.3	-60.1	-71.4	0	0	0	110.9	Y527 Q535 K537 L558 Y563 V565 I566 Q589 V591 V596	Y527-Y539 PolarHBondContact OH-N 3.35Å; Q535-Y539 HydrophobicContact CG-CE2 4.01Å; K537-Y539 HydrophobicContact CB-CE1 4.12Å; Y539-L558 HydrophobicContact CD1-CD2 3.58Å; Y539-L558 HydrophobicContact CD2-CD2 3.65Å; Y539-L558 HydrophobicContact CE1-CD2 3.95Å; Y539-L558 HydrophobicContact CE2-CD2 4.01Å; Y539-L558 HydrophobicContact CG-CD2 3.41Å; Y539-L558 VanDerWaalsContact CG-CD2 3.41Å; Y539-Y563 HydrophobicContact CD2-CD1 4.24Å; Y539-Y563 AromaticContact CE2-CD1 3.69Å; Y539-Y563 HydrophobicContact CE2-CD1 3.69Å; Y539-Y563 HydrophobicContact CE2-CE1 4.1Å; Y539-Y563 HydrophobicContact CE2-CG 4.2Å; Y539-V565 WeakPolarHBondContact O-CA 3.48Å; Y539-I566 PolarHBondContact O-N 3.13Å; Y539-Q589 WeakPolarHBondContact CA-O 3.42Å; Y539-Q589 HydrophobicContact CD1-CB 4.01Å; Y539-Q589 HydrophobicContact CD1-CG 4.01Å; Y539-Q589 HydrophobicContact CE1-CB 4.28Å; Y539-Q589 HydrophobicContact CE1-CG 4.11Å; Y539-V591 HydrophobicContact CD1-CG1 4.25Å; Y539-V596 HydrophobicContact CE1-CG1 4.43Å
540	F	97.6	Very high	94.8	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.9	177	72.9	-88	0	0	0	112.4	I566 L568 I577 F588 Q589 N590 V591	F540-I566 CarbonylContact C-O 3.55Å; F540-I566 WeakPolarHBondContact CA-O 3.29Å; F540-I566 HydrophobicContact CB-CB 3.96Å; F540-I566 HydrophobicContact CB-CG2 4.38Å; F540-L568 HydrophobicContact CD2-CD1 3.38Å; F540-L568 HydrophobicContact CD2-CG 4.08Å; F540-L568 HydrophobicContact CE2-CD1 3.77Å; F540-L568 HydrophobicContact CG-CD1 4.21Å; F540-I577 HydrophobicContact CD1-CG2 4.14Å; F540-I577 HydrophobicContact CE1-CG2 3.64Å; F540-I577 HydrophobicContact CE2-CG2 4.24Å; F540-I577 HydrophobicContact CZ-CG2 3.66Å; F540-F588 HydrophobicContact CD1-CB 4.09Å; F540-F588 HydrophobicContact CD1-CD1 4.43Å; F540-F588 HydrophobicContact CE1-CB 3.76Å; F540-Q589 WeakPolarHBondContact CD1-O 3.41Å; F540-Q589 VanDerWaalsContact CE1-C 3.48Å; F540-Q589 PolarHBondContact N-O 3.22Å; F540-Q589 VanDerWaalsContact N-O 3.13Å; F540-N590 HydrophobicContact CE1-CB 3.89Å; F540-N590 VanDerWaalsContact CE1-N 3.28Å; F540-N590 HydrophobicContact CE2-CB 3.79Å; F540-N590 HydrophobicContact CZ-CB 3.44Å; F540-N590 VanDerWaalsContact CZ-CB 3.44Å; F540-V591 WeakPolarHBondContact O-CG2 3.45Å; F540-V591 PolarHBondContact O-N 3.23Å
541	M	97.1	Very high	94.7	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.9	174.4	178.5	56.7	-169.4	0	0	109.4	A549 S552 F554 V555 V565 I566 Y567 L568 V591 A592	M541-A549 HydrophobicContact CG-CB 3.93Å; M541-S552 WeakPolarHBondContact CE-OG 3.46Å; M541-F554 HydrophobicContact CE-CD2 3.91Å; M541-F554 HydrophobicContact CE-CE2 4.42Å; M541-F554 HydrophobicContact SD-CD2 3.94Å; M541-V555 HydrophobicContact CB-CG1 3.96Å; M541-V555 HydrophobicContact CG-CG1 4.3Å; M541-V565 HydrophobicContact CB-CG1 4.12Å; M541-I566 PolarHBondContact N-O 3.33Å; M541-Y567 HydrophobicContact CB-CD1 4.26Å; M541-Y567 WeakPolarHBondContact O-CA 3.45Å; M541-L568 PolarHBondContact O-N 3.42Å; M541-V591 HydrophobicContact CB-CG2 3.7Å; M541-V591 HydrophobicContact CG-CG2 4.23Å; M541-V591 HydrophobicContact SD-CG2 3.85Å; M541-A592 HydrophobicContact SD-CB 4.18Å
542	A	96.7	Very high	94.7	Very high	5 Å²	5	55.1 Å²	55.1	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	176.4	0	0	0	0	0	110.8	L568 E574 N657	A542-L568 WeakPolarHBondContact CA-O 3.41Å; A542-L568 HydrophobicContact CB-CB 3.92Å; A542-L568 HydrophobicContact CB-CD1 4.29Å; A542-E574 HydrophobicContact CB-CB 4.49Å; A542-E574 HydrophobicContact CB-CG 4.48Å; A542-N657 HydrophobicContact CB-CB 4.14Å
543	G	94.4	Very high	94.7	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.021	26%	0.262	C	S	.	.			trans	-155.3	176.6	179.2	0	0	0	0	0	112	S545 L568	G543-S545 VanDerWaalsContact C-N 3.26Å; G543-S545 PolarHBondContact O-N 2.68Å; G543-L568 PolarHBondContact N-O 3.2Å
544	S	93	Very high	95.1	Very high	66 Å²	66	42.4 Å²	42.4	46%	0.462	22%	0.218	S	C	.	.	S	Bend	trans	-73.2	-19.6	178.7	71.4	0	0	0	0	113.3	E548	S544-E548 WeakPolarHBondContact CA-OE2 3.38Å; S544-E548 VanDerWaalsContact CB-OE2 3.23Å; S544-E548 WeakPolarHBondContact CB-OE2 3.42Å; S544-E548 PolarHBondContact N-OE2 2.9Å; S544-E548 PolarHBondContact OG-OE2 2.79Å
545	S	95.4	Very high	95.5	Very high	49 Å²	49	34.6 Å²	34.6	34%	0.343	18%	0.184	S	C	.	.	S	Bend	trans	-152.7	161.3	178.3	67.1	0	0	0	0	111.5	G543 K547 E548 A549	G543-S545 VanDerWaalsContact C-N 3.26Å; G543-S545 PolarHBondContact O-N 2.68Å; S545-K547 VanDerWaalsContact C-N 3.28Å; S545-K547 PolarHBondContact O-N 3.46Å; S545-E548 PolarHBondContact O-N 3.17Å; S545-E548 PolarHBondContact OG-N 2.72Å; S545-A549 PolarHBondContact O-N 3.31Å; S545-A549 VanDerWaalsContact O-N 3.07Å
546	R	95.5	Very high	95.6	Very high	35 Å²	35	36 Å²	36	13%	0.132	19%	0.19	C	C	.	.	H	α-helix	trans	-54.1	-45.7	172.2	169.5	56.4	178	-99.2	9.3	111.7	Q513 S514 H517 P518 E548 A549 E550 T569	Q513-R546 VanDerWaalsContact OE1-CD 3.25Å; Q513-R546 VanDerWaalsContact OE1-CG 3.25Å; S514-R546 PolarHBondContact O-NH2 3.02Å; H517-R546 PolarHBondContact O-NH2 3.27Å; P518-R546 PolarHBondContact O-NH1 3.01Å; P518-R546 PolarHBondContact O-NH2 3.32Å; R546-E548 VanDerWaalsContact C-N 3.35Å; R546-E548 PolarHBondContact O-N 3.24Å; R546-A549 PolarHBondContact O-N 3.1Å; R546-E550 IonicContact CZ-OE2 2.91Å; R546-E550 IonicContact NE-OE2 3.31Å; R546-E550 PolarHBondContact NE-OE2 3.46Å; R546-E550 IonicContact NH2-OE2 3.37Å; R546-E550 WeakPolarHBondContact O-CB 3.4Å; R546-E550 WeakPolarHBondContact O-CG 3.46Å; R546-E550 PolarHBondContact O-N 3.41Å; R546-T569 HydrophobicContact CB-CG2 4.14Å
547	K	95.9	Very high	95.7	Very high	157 Å²	157	33.9 Å²	33.9	68%	0.683	18%	0.176	S	C	*	.	H	α-helix	trans	-61.1	-41.5	-178.6	-173.6	177.1	178.6	-179.1	0	112.5	S545 E550 S551	S545-K547 VanDerWaalsContact C-N 3.28Å; S545-K547 PolarHBondContact O-N 3.46Å; K547-E550 WeakPolarHBondContact O-CG 3.45Å; K547-S551 WeakPolarHBondContact O-CB 3.3Å; K547-S551 PolarHBondContact O-N 2.9Å; K547-S551 PolarHBondContact O-OG 2.86Å
548	E	94.4	Very high	95.7	Very high	63 Å²	63	31.7 Å²	31.7	29%	0.294	17%	0.166	S	C	.	.	H	α-helix	trans	-66.3	-44.5	175.8	-173.5	-169.5	175.6	0	0	111.3	S544 S545 R546 S552	S544-E548 WeakPolarHBondContact CA-OE2 3.38Å; S544-E548 VanDerWaalsContact CB-OE2 3.23Å; S544-E548 WeakPolarHBondContact CB-OE2 3.42Å; S544-E548 PolarHBondContact N-OE2 2.9Å; S544-E548 PolarHBondContact OG-OE2 2.79Å; S545-E548 PolarHBondContact O-N 3.17Å; S545-E548 PolarHBondContact OG-N 2.72Å; R546-E548 VanDerWaalsContact C-N 3.35Å; R546-E548 PolarHBondContact O-N 3.24Å; E548-S552 PolarHBondContact O-N 3.48Å
549	A	95.6	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-40	-178.2	0	0	0	0	0	112.7	M541 S545 R546 S552 Y567	M541-A549 HydrophobicContact CG-CB 3.93Å; S545-A549 PolarHBondContact O-N 3.31Å; S545-A549 VanDerWaalsContact O-N 3.07Å; R546-A549 PolarHBondContact O-N 3.1Å; A549-S552 VanDerWaalsContact O-CB 3.26Å; A549-S552 WeakPolarHBondContact O-CB 3.32Å; A549-S552 PolarHBondContact O-N 2.83Å; A549-Y567 HydrophobicContact CB-CD1 3.69Å; A549-Y567 HydrophobicContact CB-CE1 4.39Å; A549-Y567 HydrophobicContact CB-CG 4.31Å
550	E	95.3	Very high	95.4	Very high	80 Å²	80	41.9 Å²	41.9	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-74.9	-31.8	-179.1	76.1	-170.5	176.6	0	0	113.4	R546 K547 S552 V555 Y567	R546-E550 IonicContact CZ-OE2 2.91Å; R546-E550 IonicContact NE-OE2 3.31Å; R546-E550 PolarHBondContact NE-OE2 3.46Å; R546-E550 IonicContact NH2-OE2 3.37Å; R546-E550 WeakPolarHBondContact O-CB 3.4Å; R546-E550 WeakPolarHBondContact O-CG 3.46Å; R546-E550 PolarHBondContact O-N 3.41Å; K547-E550 WeakPolarHBondContact O-CG 3.45Å; E550-S552 VanDerWaalsContact C-N 3.27Å; E550-V555 WeakPolarHBondContact O-CG2 3.45Å; E550-Y567 HydrophobicContact CB-CE1 4.17Å; E550-Y567 HydrophobicContact CB-CE2 4.13Å
551	S	94.8	Very high	95.2	Very high	86 Å²	86	45.2 Å²	45.2	60%	0.601	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	6.5	176.5	64	0	0	0	0	113.2	K547	K547-S551 WeakPolarHBondContact O-CB 3.3Å; K547-S551 PolarHBondContact O-N 2.9Å; K547-S551 PolarHBondContact O-OG 2.86Å
552	S	95.9	Very high	95	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.035	25%	0.25	C	S	.	.			trans	-66.3	139.4	-177.8	-178	0	0	0	0	112	M541 E548 A549 E550 F554 V555	M541-S552 WeakPolarHBondContact CE-OG 3.46Å; E548-S552 PolarHBondContact O-N 3.48Å; A549-S552 VanDerWaalsContact O-CB 3.26Å; A549-S552 WeakPolarHBondContact O-CB 3.32Å; A549-S552 PolarHBondContact O-N 2.83Å; E550-S552 VanDerWaalsContact C-N 3.27Å; S552-F554 PolarHBondContact O-N 3.43Å; S552-F554 WeakPolarHBondContact OG-CD2 3.47Å; S552-F554 PolarHBondContact OG-N 3.39Å; S552-V555 VanDerWaalsContact O-CG2 3.26Å; S552-V555 WeakPolarHBondContact O-CG2 3.37Å; S552-V555 PolarHBondContact O-N 2.96Å
553	P	95.3	Very high	95	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.026	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23	174	23.7	-34.8	0	0	0	113.3	V555 L640 A646 R724	P553-V555 VanDerWaalsContact C-N 3.35Å; P553-V555 PolarHBondContact O-N 3.23Å; P553-L640 HydrophobicContact CB-CD2 3.68Å; P553-L640 WeakPolarHBondContact O-CD2 3.28Å; P553-A646 HydrophobicContact CB-CB 4.18Å; P553-A646 HydrophobicContact CG-CB 4.07Å; P553-R724 WeakPolarHBondContact CD-O 3.42Å
554	F	96.5	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.7	-176.2	-58.8	-54.5	0	0	0	114.1	M541 S552 L558 V591 A592 A646 L647 V648	M541-F554 HydrophobicContact CE-CD2 3.91Å; M541-F554 HydrophobicContact CE-CE2 4.42Å; M541-F554 HydrophobicContact SD-CD2 3.94Å; S552-F554 PolarHBondContact O-N 3.43Å; S552-F554 WeakPolarHBondContact OG-CD2 3.47Å; S552-F554 PolarHBondContact OG-N 3.39Å; F554-L558 WeakPolarHBondContact O-CD1 3.49Å; F554-V591 HydrophobicContact CB-CB 4.17Å; F554-V591 HydrophobicContact CB-CG2 3.71Å; F554-V591 WeakPolarHBondContact CB-O 3.46Å; F554-A592 HydrophobicContact CD2-CB 3.68Å; F554-A592 HydrophobicContact CE2-CB 3.71Å; F554-A592 HydrophobicContact CG-CB 4.23Å; F554-A592 HydrophobicContact CZ-CB 4.27Å; F554-A646 HydrophobicContact CD1-CB 4.36Å; F554-A646 HydrophobicContact CE1-CB 3.7Å; F554-A646 HydrophobicContact CZ-CB 4.26Å; F554-L647 WeakPolarHBondContact CZ-O 3.46Å; F554-V648 HydrophobicContact CD1-CG2 4.33Å; F554-V648 HydrophobicContact CE1-CG2 3.74Å
555	V	96.1	Very high	95.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-18.6	-175.6	-61.5	0	0	0	0	113.1	M541 E550 S552 P553 R557 L558 L559 V565 Y567 V591	M541-V555 HydrophobicContact CB-CG1 3.96Å; M541-V555 HydrophobicContact CG-CG1 4.3Å; E550-V555 WeakPolarHBondContact O-CG2 3.45Å; S552-V555 VanDerWaalsContact O-CG2 3.26Å; S552-V555 WeakPolarHBondContact O-CG2 3.37Å; S552-V555 PolarHBondContact O-N 2.96Å; P553-V555 VanDerWaalsContact C-N 3.35Å; P553-V555 PolarHBondContact O-N 3.23Å; V555-R557 PolarHBondContact O-N 3.15Å; V555-L558 WeakPolarHBondContact O-CA 3.46Å; V555-L558 WeakPolarHBondContact O-CB 3.41Å; V555-L558 PolarHBondContact O-N 3.44Å; V555-L559 HydrophobicContact CB-CD1 4.07Å; V555-L559 HydrophobicContact CB-CG 4.13Å; V555-L559 HydrophobicContact CG2-CD1 3.75Å; V555-L559 HydrophobicContact CG2-CG 4.36Å; V555-L559 WeakPolarHBondContact O-CG 3.14Å; V555-L559 PolarHBondContact O-N 2.95Å; V555-V565 HydrophobicContact CB-CG2 4.49Å; V555-V565 HydrophobicContact CG1-CB 4.43Å; V555-V565 HydrophobicContact CG1-CG1 3.86Å; V555-V565 HydrophobicContact CG1-CG2 4.27Å; V555-Y567 HydrophobicContact CG1-CE1 4.41Å; V555-V591 HydrophobicContact CG1-CG2 3.92Å
556	E	95.5	Very high	95.5	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-46	-58.4	-170.9	-69.4	-177.9	-170.2	0	0	114	K560 T641 E642 S643	E556-K560 WeakPolarHBondContact O-CB 3.38Å; E556-K560 PolarHBondContact O-N 3.43Å; E556-T641 HydrophobicContact CB-CG2 4.31Å; E556-T641 WeakPolarHBondContact CB-OG1 3.38Å; E556-T641 WeakPolarHBondContact OE2-CA 3.23Å; E556-T641 PolarHBondContact OE2-N 2.76Å; E556-T641 PolarHBondContact OE2-OG1 2.83Å; E556-T641 VanDerWaalsContact OE2-OG1 3.11Å; E556-E642 PolarHBondContact OE2-N 2.85Å; E556-S643 WeakPolarHBondContact OE1-CB 3.27Å; E556-S643 PolarHBondContact OE1-N 3.47Å; E556-S643 PolarHBondContact OE1-OG 2.87Å; E556-S643 PolarHBondContact OE2-N 3.4Å
557	R	94.2	Very high	95.7	Very high	48 Å²	48	42.4 Å²	42.4	18%	0.181	21%	0.214	C	C	.	.	H	α-helix	trans	-73.7	-28	-178.5	-163.6	176.5	-61.1	-174.3	-7	113	V555 K561 F598 Q638 R639 L640 T641	V555-R557 PolarHBondContact O-N 3.15Å; R557-K561 HydrophobicContact CG-CD 4.35Å; R557-K561 HydrophobicContact CG-CG 4.36Å; R557-K561 WeakPolarHBondContact O-CB 3.38Å; R557-K561 WeakPolarHBondContact O-CG 2.95Å; R557-K561 PolarHBondContact O-N 3.34Å; R557-F598 HydrophobicContact CB-CZ 4.34Å; R557-F598 HydrophobicContact CG-CZ 4.39Å; R557-Q638 WeakPolarHBondContact CD-O 3.34Å; R557-Q638 PolarHBondContact NE-O 3.41Å; R557-Q638 VanDerWaalsContact NE-O 3.1Å; R557-Q638 VanDerWaalsContact NH1-C 3.29Å; R557-Q638 PolarHBondContact NH1-O 2.65Å; R557-R639 WeakPolarHBondContact CB-O 3.49Å; R557-R639 PolarHBondContact N-O 3.29Å; R557-R639 VanDerWaalsContact N-O 3.1Å; R557-L640 PolarHBondContact NE-O 3.25Å; R557-L640 PolarHBondContact NH2-O 3.16Å; R557-T641 HydrophobicContact CB-CG2 3.7Å; R557-T641 HydrophobicContact CG-CG2 4.05Å
558	L	95	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-51.5	174.3	-75.9	109.4	0	0	0	109.9	Y539 F554 V555 K560 K561 G562 Y563 V565 V591 V596 F598	Y539-L558 HydrophobicContact CD1-CD2 3.58Å; Y539-L558 HydrophobicContact CD2-CD2 3.65Å; Y539-L558 HydrophobicContact CE1-CD2 3.95Å; Y539-L558 HydrophobicContact CE2-CD2 4.01Å; Y539-L558 HydrophobicContact CG-CD2 3.41Å; Y539-L558 VanDerWaalsContact CG-CD2 3.41Å; F554-L558 WeakPolarHBondContact O-CD1 3.49Å; V555-L558 WeakPolarHBondContact O-CA 3.46Å; V555-L558 WeakPolarHBondContact O-CB 3.41Å; V555-L558 PolarHBondContact O-N 3.44Å; L558-K560 PolarHBondContact O-N 3.16Å; L558-K561 CarbonylContact O-C 3.51Å; L558-K561 PolarHBondContact O-N 3.13Å; L558-G562 PolarHBondContact O-N 3.24Å; L558-G562 VanDerWaalsContact O-N 3.11Å; L558-Y563 PolarHBondContact O-N 3.09Å; L558-V565 HydrophobicContact CB-CG2 4.1Å; L558-V565 HydrophobicContact CD2-CG2 4.4Å; L558-V591 HydrophobicContact CD1-CB 4.34Å; L558-V591 HydrophobicContact CD1-CG1 3.94Å; L558-V591 HydrophobicContact CD2-CG1 4.17Å; L558-V596 HydrophobicContact CD1-CG1 4.3Å; L558-F598 HydrophobicContact CD1-CZ 4.37Å; L558-F598 HydrophobicContact CG-CE1 4.1Å; L558-F598 HydrophobicContact CG-CZ 4.08Å
559	L	95.8	Very high	95.9	Very high	64 Å²	64	33.7 Å²	33.7	34%	0.335	18%	0.179	S	C	.	.	H	α-helix	trans	-61.7	-44.7	177.5	-61.6	-178.7	0	0	0	111.3	S515 V555 K561 G562 V565	S515-L559 WeakPolarHBondContact OG-CD2 3.45Å; V555-L559 HydrophobicContact CB-CD1 4.07Å; V555-L559 HydrophobicContact CB-CG 4.13Å; V555-L559 HydrophobicContact CG2-CD1 3.75Å; V555-L559 HydrophobicContact CG2-CG 4.36Å; V555-L559 WeakPolarHBondContact O-CG 3.14Å; V555-L559 PolarHBondContact O-N 2.95Å; L559-K561 VanDerWaalsContact C-N 3.26Å; L559-K561 PolarHBondContact O-N 3.01Å; L559-G562 WeakPolarHBondContact O-CA 3.39Å; L559-G562 PolarHBondContact O-N 2.78Å; L559-V565 HydrophobicContact CD2-CG2 4.14Å
560	K	94	Very high	95.9	Very high	160 Å²	160	36.9 Å²	36.9	70%	0.696	19%	0.193	S	C	*	.	H	α-helix	trans	-61.1	-33	176.3	-172.5	170	-171.7	158.8	0	113.3	E556 L558 G562 T641	E556-K560 WeakPolarHBondContact O-CB 3.38Å; E556-K560 PolarHBondContact O-N 3.43Å; L558-K560 PolarHBondContact O-N 3.16Å; K560-G562 VanDerWaalsContact C-N 3.25Å; K560-T641 HydrophobicContact CD-CG2 3.9Å
561	K	92.5	Very high	95.8	Very high	82 Å²	82	36.5 Å²	36.5	36%	0.357	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.1	173.4	-75.7	-174	174.3	-173.6	0	112.3	K532 R557 L558 L559 Y563 F598	K532-K561 PolarHBondContact NZ-O 2.9Å; R557-K561 HydrophobicContact CG-CD 4.35Å; R557-K561 HydrophobicContact CG-CG 4.36Å; R557-K561 WeakPolarHBondContact O-CB 3.38Å; R557-K561 WeakPolarHBondContact O-CG 2.95Å; R557-K561 PolarHBondContact O-N 3.34Å; L558-K561 CarbonylContact O-C 3.51Å; L558-K561 PolarHBondContact O-N 3.13Å; L559-K561 VanDerWaalsContact C-N 3.26Å; L559-K561 PolarHBondContact O-N 3.01Å; K561-Y563 HydrophobicContact CB-CD2 3.75Å; K561-Y563 HydrophobicContact CB-CE2 3.9Å; K561-Y563 HydrophobicContact CD-CE2 4.34Å; K561-F598 HydrophobicContact CD-CD1 3.55Å; K561-F598 HydrophobicContact CD-CE1 3.87Å; K561-F598 HydrophobicContact CD-CG 4.17Å; K561-F598 VanDerWaalsContact NZ-CG 3.27Å
562	G	93.7	Very high	95.8	Very high	50 Å²	50	33.5 Å²	33.5	52%	0.515	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	27	-179.1	0	0	0	0	0	114.2	K532 L558 L559 K560	K532-G562 WeakPolarHBondContact CE-O 3.14Å; K532-G562 PolarHBondContact NZ-O 3.45Å; K532-G562 VanDerWaalsContact NZ-O 3.15Å; L558-G562 PolarHBondContact O-N 3.24Å; L558-G562 VanDerWaalsContact O-N 3.11Å; L559-G562 WeakPolarHBondContact O-CA 3.39Å; L559-G562 PolarHBondContact O-N 2.78Å; K560-G562 VanDerWaalsContact C-N 3.25Å
563	Y	96.3	Very high	95.9	Very high	30 Å²	30	33.4 Å²	33.4	12%	0.118	18%	0.175	C	C	.	.			trans	-82.7	140.8	169.4	-72.7	-82.7	0	0	0	110	K532 Q535 Y539 L558 K561 F598	K532-Y563 HydrophobicContact CD-CD1 4.04Å; K532-Y563 HydrophobicContact CD-CE1 3.74Å; Q535-Y563 HydrophobicContact CB-CE1 4.34Å; Q535-Y563 HydrophobicContact CG-CD1 4.26Å; Q535-Y563 HydrophobicContact CG-CE1 4.08Å; Y539-Y563 HydrophobicContact CD2-CD1 4.24Å; Y539-Y563 AromaticContact CE2-CD1 3.69Å; Y539-Y563 HydrophobicContact CE2-CD1 3.69Å; Y539-Y563 HydrophobicContact CE2-CE1 4.1Å; Y539-Y563 HydrophobicContact CE2-CG 4.2Å; L558-Y563 PolarHBondContact O-N 3.09Å; K561-Y563 HydrophobicContact CB-CD2 3.75Å; K561-Y563 HydrophobicContact CB-CE2 3.9Å; K561-Y563 HydrophobicContact CD-CE2 4.34Å; Y563-F598 HydrophobicContact CD2-CE1 4.45Å; Y563-F598 HydrophobicContact CE2-CD1 4.14Å; Y563-F598 HydrophobicContact CE2-CE1 4.34Å
564	E	97.7	Very high	95.8	Very high	17 Å²	17	33.3 Å²	33.3	8%	0.079	17%	0.174	C	C	.	.			trans	-79.1	135.8	173.1	-170	175.5	162.4	0	0	110.3	S514 S515 H516 Y527 R530	S514-E564 WeakPolarHBondContact CB-OE1 3.28Å; S514-E564 WeakPolarHBondContact OG-CG 3.21Å; S514-E564 PolarHBondContact OG-OE1 3.43Å; S515-E564 WeakPolarHBondContact OG-CA 3.33Å; H516-E564 HydrophobicContact CB-CG 4.12Å; Y527-E564 HydrophobicContact CD2-CB 4.23Å; Y527-E564 HydrophobicContact CD2-CG 3.79Å; Y527-E564 HydrophobicContact CE2-CB 3.68Å; Y527-E564 HydrophobicContact CE2-CG 3.61Å; Y527-E564 WeakPolarHBondContact CE2-O 3.49Å; Y527-E564 PolarHBondContact OH-O 3.27Å; R530-E564 IonicContact CZ-OE1 2.75Å; R530-E564 IonicContact CZ-OE2 3.32Å; R530-E564 IonicContact NE-OE1 3.77Å; R530-E564 IonicContact NE-OE2 3.09Å; R530-E564 PolarHBondContact NE-OE2 3.28Å; R530-E564 IonicContact NH2-OE1 3.88Å; R530-E564 PolarHBondContact NH2-OE1 3.39Å; R530-E564 IonicContact NH2-OE2 2.75Å
565	V	98.1	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.3	177	-177.4	0	0	0	0	109.5	S514 S515 Y539 M541 V555 L558 L559 Y567	S514-V565 CarbonylContact C-O 3.45Å; S514-V565 WeakPolarHBondContact CA-O 3.33Å; S515-V565 PolarHBondContact N-O 3.09Å; S515-V565 PolarHBondContact OG-N 2.75Å; Y539-V565 WeakPolarHBondContact O-CA 3.48Å; M541-V565 HydrophobicContact CB-CG1 4.12Å; V555-V565 HydrophobicContact CB-CG2 4.49Å; V555-V565 HydrophobicContact CG1-CB 4.43Å; V555-V565 HydrophobicContact CG1-CG1 3.86Å; V555-V565 HydrophobicContact CG1-CG2 4.27Å; L558-V565 HydrophobicContact CB-CG2 4.1Å; L558-V565 HydrophobicContact CD2-CG2 4.4Å; L559-V565 HydrophobicContact CD2-CG2 4.14Å; V565-Y567 HydrophobicContact CB-CE1 4.48Å; V565-Y567 HydrophobicContact CG1-CD1 4.47Å; V565-Y567 HydrophobicContact CG1-CE1 4.18Å
566	I	98.3	Very high	95.7	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134	171.6	-67.6	176.5	0	0	0	109.7	F512 Q513 L524 Y527 I538 Y539 F540 M541 L568	F512-I566 HydrophobicContact CB-CG2 3.44Å; F512-I566 VanDerWaalsContact CB-CG2 3.44Å; F512-I566 HydrophobicContact CD2-CG2 4.18Å; F512-I566 HydrophobicContact CG-CG2 3.85Å; Q513-I566 WeakPolarHBondContact O-CA 3.44Å; L524-I566 HydrophobicContact CD2-CD1 3.65Å; Y527-I566 HydrophobicContact CD2-CD1 3.85Å; Y527-I566 HydrophobicContact CD2-CG1 3.68Å; Y527-I566 HydrophobicContact CE2-CD1 4.24Å; Y527-I566 HydrophobicContact CE2-CG1 3.85Å; Y527-I566 HydrophobicContact CG-CD1 4.22Å; I538-I566 HydrophobicContact CG2-CD1 3.69Å; Y539-I566 PolarHBondContact O-N 3.13Å; F540-I566 CarbonylContact C-O 3.55Å; F540-I566 WeakPolarHBondContact CA-O 3.29Å; F540-I566 HydrophobicContact CB-CB 3.96Å; F540-I566 HydrophobicContact CB-CG2 4.38Å; M541-I566 PolarHBondContact N-O 3.33Å; I566-L568 HydrophobicContact CG2-CD2 3.66Å; I566-L568 HydrophobicContact CG2-CG 4.48Å
567	Y	98.2	Very high	95.7	Very high	7 Å²	7	35 Å²	35	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.7	175	-59	-56	0	0	0	110.5	Q513 S515 M541 A549 E550 V555 V565	Q513-Y567 PolarHBondContact O-N 3.17Å; S515-Y567 WeakPolarHBondContact CB-OH 3.28Å; M541-Y567 HydrophobicContact CB-CD1 4.26Å; M541-Y567 WeakPolarHBondContact O-CA 3.45Å; A549-Y567 HydrophobicContact CB-CD1 3.69Å; A549-Y567 HydrophobicContact CB-CE1 4.39Å; A549-Y567 HydrophobicContact CB-CG 4.31Å; E550-Y567 HydrophobicContact CB-CE1 4.17Å; E550-Y567 HydrophobicContact CB-CE2 4.13Å; V555-Y567 HydrophobicContact CG1-CE1 4.41Å; V565-Y567 HydrophobicContact CB-CE1 4.48Å; V565-Y567 HydrophobicContact CG1-CD1 4.47Å; V565-Y567 HydrophobicContact CG1-CE1 4.18Å
568	L	97.9	Very high	95.6	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.6	175.9	-53.7	-174.4	0	0	0	108.3	F512 F540 M541 A542 G543 I566 D573 I577	F512-L568 HydrophobicContact CD1-CD2 3.49Å; F512-L568 VanDerWaalsContact CD1-CD2 3.49Å; F512-L568 HydrophobicContact CE1-CD2 3.71Å; F512-L568 HydrophobicContact CG-CD2 4Å; F512-L568 HydrophobicContact CZ-CD2 4.38Å; F540-L568 HydrophobicContact CD2-CD1 3.38Å; F540-L568 HydrophobicContact CD2-CG 4.08Å; F540-L568 HydrophobicContact CE2-CD1 3.77Å; F540-L568 HydrophobicContact CG-CD1 4.21Å; M541-L568 PolarHBondContact O-N 3.42Å; A542-L568 WeakPolarHBondContact CA-O 3.41Å; A542-L568 HydrophobicContact CB-CB 3.92Å; A542-L568 HydrophobicContact CB-CD1 4.29Å; G543-L568 PolarHBondContact N-O 3.2Å; I566-L568 HydrophobicContact CG2-CD2 3.66Å; I566-L568 HydrophobicContact CG2-CG 4.48Å; L568-D573 HydrophobicContact CB-CB 3.63Å; L568-D573 HydrophobicContact CD1-CB 4.1Å; L568-D573 HydrophobicContact CD2-CB 4.08Å; L568-D573 HydrophobicContact CG-CB 4.13Å; L568-I577 HydrophobicContact CD1-CB 4.37Å; L568-I577 HydrophobicContact CD1-CG1 3.73Å; L568-I577 HydrophobicContact CD2-CG1 4.28Å
569	T	96.5	Very high	95.6	Very high	36 Å²	36	38.4 Å²	38.4	22%	0.221	20%	0.202	C	C	.	.			trans	-123.1	-12.8	-168.8	57.5	0	0	0	0	113.1	R546 D573	R546-T569 HydrophobicContact CB-CG2 4.14Å; T569-D573 PolarHBondContact N-OD2 3.18Å
570	E	95.9	Very high	95.6	Very high	66 Å²	66	35.8 Å²	35.8	31%	0.308	19%	0.188	S	C	.	.	S	Bend	trans	-102.8	147	177.3	-65.7	169.4	-142.7	0	0	110.8	K493 V572 D573	K493-E570 IonicContact NZ-OE1 3.87Å; K493-E570 PolarHBondContact NZ-OE1 3.17Å; K493-E570 IonicContact NZ-OE2 3.81Å; K493-E570 PolarHBondContact NZ-OE2 2.7Å; E570-V572 HydrophobicContact CB-CG1 4.3Å; E570-V572 PolarHBondContact O-N 3.2Å; E570-D573 PolarHBondContact N-OD2 2.85Å; E570-D573 VanDerWaalsContact O-CB 3.28Å; E570-D573 WeakPolarHBondContact O-CB 3.26Å; E570-D573 PolarHBondContact O-N 3.35Å
571	P	93.2	Very high	95.3	Very high	72 Å²	72	32.6 Å²	32.6	47%	0.468	18%	0.183	S	C	.	.	H	α-helix	trans	-55.5	-36.3	179.1	-28	35.7	0	0	0	114.4	D573 Y575 I661	P571-D573 VanDerWaalsContact C-N 3.28Å; P571-D573 PolarHBondContact O-N 2.9Å; P571-Y575 WeakPolarHBondContact O-CD2 3.39Å; P571-I661 HydrophobicContact CB-CD1 4.09Å; P571-I661 HydrophobicContact CB-CG1 4.16Å; P571-I661 HydrophobicContact CB-CG2 4.34Å
572	V	95.3	Very high	95.4	Very high	24 Å²	24	33.3 Å²	33.3	15%	0.145	19%	0.188	C	C	.	.	H	α-helix	trans	-71.6	-21	-179	67.9	0	0	0	0	112.9	T490 K493 L494 I497 E570 E574 Y575 C576	T490-V572 HydrophobicContact CG2-CG1 4.42Å; K493-V572 HydrophobicContact CB-CG1 4.17Å; K493-V572 HydrophobicContact CB-CG2 4.13Å; K493-V572 HydrophobicContact CD-CG1 3.61Å; L494-V572 HydrophobicContact CD2-CG2 4.01Å; L494-V572 HydrophobicContact CG-CG2 4.44Å; I497-V572 HydrophobicContact CD1-CG2 3.98Å; E570-V572 HydrophobicContact CB-CG1 4.3Å; E570-V572 PolarHBondContact O-N 3.2Å; V572-E574 VanDerWaalsContact C-N 3.35Å; V572-E574 PolarHBondContact O-N 2.94Å; V572-Y575 PolarHBondContact O-N 2.92Å; V572-C576 WeakPolarHBondContact O-CB 3.4Å; V572-C576 PolarHBondContact O-N 3.25Å
573	D	97	Very high	95.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-43.8	-174.1	-71.9	-24.5	0	0	0	112.1	K493 L568 T569 E570 P571 Y575 C576 I577	K493-D573 VanDerWaalsContact CD-OD1 3.23Å; K493-D573 WeakPolarHBondContact CD-OD1 3.47Å; K493-D573 WeakPolarHBondContact CE-OD1 3.38Å; K493-D573 IonicContact NZ-OD1 2.69Å; K493-D573 PolarHBondContact NZ-OD1 2.92Å; L568-D573 HydrophobicContact CB-CB 3.63Å; L568-D573 HydrophobicContact CD1-CB 4.1Å; L568-D573 HydrophobicContact CD2-CB 4.08Å; L568-D573 HydrophobicContact CG-CB 4.13Å; T569-D573 PolarHBondContact N-OD2 3.18Å; E570-D573 PolarHBondContact N-OD2 2.85Å; E570-D573 VanDerWaalsContact O-CB 3.28Å; E570-D573 WeakPolarHBondContact O-CB 3.26Å; E570-D573 PolarHBondContact O-N 3.35Å; P571-D573 VanDerWaalsContact C-N 3.28Å; P571-D573 PolarHBondContact O-N 2.9Å; D573-Y575 VanDerWaalsContact C-N 3.33Å; D573-Y575 PolarHBondContact O-N 2.78Å; D573-C576 WeakPolarHBondContact O-CB 3.3Å; D573-C576 PolarHBondContact O-N 3.15Å; D573-I577 WeakPolarHBondContact O-CG1 3.31Å; D573-I577 PolarHBondContact O-N 3.18Å
574	E	94.1	Very high	95.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-70	-34	-176.7	-162.8	170.9	178.2	0	0	111.3	A542 V572 Q578 N590 S655 N657 M658	A542-E574 HydrophobicContact CB-CB 4.49Å; A542-E574 HydrophobicContact CB-CG 4.48Å; V572-E574 VanDerWaalsContact C-N 3.35Å; V572-E574 PolarHBondContact O-N 2.94Å; E574-Q578 WeakPolarHBondContact O-CB 3.47Å; E574-Q578 WeakPolarHBondContact O-CG 3.48Å; E574-Q578 PolarHBondContact O-N 2.98Å; E574-N590 PolarHBondContact OE1-ND2 2.87Å; E574-S655 VanDerWaalsContact CD-OG 3.28Å; E574-S655 WeakPolarHBondContact OE1-CB 3.5Å; E574-S655 PolarHBondContact OE1-OG 2.87Å; E574-S655 PolarHBondContact OE2-OG 2.67Å; E574-N657 PolarHBondContact OE2-ND2 2.89Å; E574-M658 HydrophobicContact CB-CE 3.74Å; E574-M658 HydrophobicContact CG-CE 3.62Å; E574-M658 PolarHBondContact OE2-N 3.39Å
575	Y	93.4	Very high	95.2	Very high	62 Å²	62	35.9 Å²	35.9	24%	0.243	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-41.6	169.7	-67.4	-85.8	0	0	0	111.9	P571 V572 D573 Q578 A579 M658 I661 M662	P571-Y575 WeakPolarHBondContact O-CD2 3.39Å; V572-Y575 PolarHBondContact O-N 2.92Å; D573-Y575 VanDerWaalsContact C-N 3.33Å; D573-Y575 PolarHBondContact O-N 2.78Å; Y575-Q578 PolarHBondContact O-N 3.22Å; Y575-A579 WeakPolarHBondContact O-CB 3.24Å; Y575-A579 PolarHBondContact O-N 2.96Å; Y575-M658 HydrophobicContact CD1-CE 4.37Å; Y575-M658 HydrophobicContact CD2-CE 4.28Å; Y575-M658 HydrophobicContact CE1-CE 4.33Å; Y575-M658 HydrophobicContact CE1-SD 4.28Å; Y575-M658 HydrophobicContact CE2-CE 4.23Å; Y575-M658 HydrophobicContact CE2-SD 4.26Å; Y575-M658 HydrophobicContact CG-CE 4.36Å; Y575-I661 HydrophobicContact CE2-CG2 3.82Å; Y575-M662 HydrophobicContact CE1-CE 3.44Å; Y575-M662 VanDerWaalsContact CE1-CE 3.44Å; Y575-M662 WeakPolarHBondContact OH-CE 3.27Å; Y575-M662 PolarHBondContact OH-SD 3.22Å
576	C	96.9	Very high	95.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-49.4	178.7	-176.1	0	0	0	0	111.3	K493 V572 D573 A579 L580	K493-C576 HydrophobicContact CB-CB 4.08Å; K493-C576 HydrophobicContact CG-CB 4.39Å; V572-C576 WeakPolarHBondContact O-CB 3.4Å; V572-C576 PolarHBondContact O-N 3.25Å; D573-C576 WeakPolarHBondContact O-CB 3.3Å; D573-C576 PolarHBondContact O-N 3.15Å; C576-A579 PolarHBondContact O-N 3.38Å; C576-L580 PolarHBondContact O-N 3.02Å
577	I	96.2	Very high	95	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-36.6	177.8	-62.4	-56.8	0	0	0	111.7	F512 F540 L568 D573 A579 L580 F588	F512-I577 HydrophobicContact CE2-CD1 3.95Å; F512-I577 HydrophobicContact CZ-CD1 3.85Å; F512-I577 HydrophobicContact CZ-CG1 4.48Å; F540-I577 HydrophobicContact CD1-CG2 4.14Å; F540-I577 HydrophobicContact CE1-CG2 3.64Å; F540-I577 HydrophobicContact CE2-CG2 4.24Å; F540-I577 HydrophobicContact CZ-CG2 3.66Å; L568-I577 HydrophobicContact CD1-CB 4.37Å; L568-I577 HydrophobicContact CD1-CG1 3.73Å; L568-I577 HydrophobicContact CD2-CG1 4.28Å; D573-I577 WeakPolarHBondContact O-CG1 3.31Å; D573-I577 PolarHBondContact O-N 3.18Å; I577-A579 VanDerWaalsContact C-N 3.29Å; I577-A579 PolarHBondContact O-N 3.2Å; I577-L580 PolarHBondContact O-N 3.18Å; I577-L580 VanDerWaalsContact O-N 3.1Å; I577-L580 VanDerWaalsContact O-O 3.09Å; I577-F588 HydrophobicContact CD1-CD1 4.33Å; I577-F588 HydrophobicContact CD1-CE1 4.04Å; I577-F588 HydrophobicContact CD1-CZ 4.48Å; I577-F588 HydrophobicContact CG2-CB 3.85Å; I577-F588 HydrophobicContact CG2-CD1 3.89Å; I577-F588 HydrophobicContact CG2-CD2 4.43Å; I577-F588 HydrophobicContact CG2-CG 3.79Å
578	Q	92.4	Very high	94.9	Very high	99 Å²	99	46.8 Å²	46.8	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-33.4	174.7	-77.3	177.1	13.3	0	0	112.9	E574 Y575 L580 M658	E574-Q578 WeakPolarHBondContact O-CB 3.47Å; E574-Q578 WeakPolarHBondContact O-CG 3.48Å; E574-Q578 PolarHBondContact O-N 2.98Å; Y575-Q578 PolarHBondContact O-N 3.22Å; Q578-L580 PolarHBondContact O-N 3.23Å; Q578-M658 VanDerWaalsContact NE2-CE 3.3Å
579	A	94.8	Very high	94.8	Very high	21 Å²	21	47.9 Å²	47.9	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-73.8	-13.3	175.3	0	0	0	0	0	113.4	I497 R503 Y575 C576 I577 P581	I497-A579 HydrophobicContact CB-CB 4.43Å; I497-A579 HydrophobicContact CG1-CB 4.12Å; R503-A579 WeakPolarHBondContact CD-O 3.3Å; R503-A579 PolarHBondContact NE-O 3Å; R503-A579 PolarHBondContact NH1-O 3.47Å; R503-A579 PolarHBondContact NH2-O 3.2Å; Y575-A579 WeakPolarHBondContact O-CB 3.24Å; Y575-A579 PolarHBondContact O-N 2.96Å; C576-A579 PolarHBondContact O-N 3.38Å; I577-A579 VanDerWaalsContact C-N 3.29Å; I577-A579 PolarHBondContact O-N 3.2Å; A579-P581 WeakPolarHBondContact O-CD 3.12Å
580	L	94.9	Very high	94.8	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.042	25%	0.246	C	C	.	.			trans	-106.5	98.4	-177.6	-170.1	64.9	0	0	0	110.8	V496 R503 A507 L510 L524 C576 I577 Q578 E582 F588	V496-L580 HydrophobicContact CG1-CB 4.34Å; R503-L580 HydrophobicContact CG-CD1 3.85Å; A507-L580 HydrophobicContact CB-CD1 3.92Å; A507-L580 HydrophobicContact CB-CD2 3.89Å; L510-L580 HydrophobicContact CD1-CD2 4.33Å; L524-L580 HydrophobicContact CD1-CD2 4.14Å; C576-L580 PolarHBondContact O-N 3.02Å; I577-L580 PolarHBondContact O-N 3.18Å; I577-L580 VanDerWaalsContact O-N 3.1Å; I577-L580 VanDerWaalsContact O-O 3.09Å; Q578-L580 PolarHBondContact O-N 3.23Å; L580-E582 PolarHBondContact O-N 3.06Å; L580-F588 HydrophobicContact CB-CE2 4.27Å; L580-F588 HydrophobicContact CD2-CE2 3.54Å; L580-F588 HydrophobicContact CD2-CZ 3.58Å; L580-F588 HydrophobicContact CG-CE2 3.72Å; L580-F588 HydrophobicContact CG-CZ 4.28Å; L580-F588 WeakPolarHBondContact O-CD2 3.46Å
581	P	89	Confident	94.8	Very high	93 Å²	93	43.5 Å²	43.5	60%	0.604	23%	0.231	S	C	*	.			trans	-66	-37.6	-172.5	25	-34.1	0	0	0	113.5	A579	A579-P581 WeakPolarHBondContact O-CD 3.12Å
582	E	94.2	Very high	94.9	Very high	98 Å²	98	40.3 Å²	40.3	46%	0.458	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	159.9	178.5	60.1	-176.5	-148.4	0	0	110.6	L580 K586 R587	L580-E582 PolarHBondContact O-N 3.06Å; E582-K586 CarbonylContact C-O 3.6Å; E582-K586 VanDerWaalsContact CA-O 3.23Å; E582-K586 WeakPolarHBondContact CA-O 3.45Å; E582-K586 WeakPolarHBondContact CB-O 3.35Å; E582-R587 HydrophobicContact CB-CG 4.37Å
583	F	96.6	Very high	94.9	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.6	173.5	-177.1	-89.7	0	0	0	108.3	A507 K508 L524 D525 V528 I538 G585 K586 F588	A507-F583 HydrophobicContact CB-CD2 3.81Å; A507-F583 HydrophobicContact CB-CE2 3.92Å; K508-F583 HydrophobicContact CG-CE2 3.99Å; K508-F583 HydrophobicContact CG-CZ 4.16Å; L524-F583 HydrophobicContact CB-CD1 3.73Å; L524-F583 HydrophobicContact CB-CD2 4.11Å; L524-F583 HydrophobicContact CB-CE1 3.48Å; L524-F583 VanDerWaalsContact CB-CE1 3.48Å; L524-F583 HydrophobicContact CB-CE2 3.85Å; L524-F583 HydrophobicContact CB-CG 4.04Å; L524-F583 HydrophobicContact CB-CZ 3.54Å; L524-F583 HydrophobicContact CD1-CB 4.4Å; L524-F583 HydrophobicContact CD1-CD1 4.43Å; L524-F583 HydrophobicContact CD1-CD2 3.61Å; L524-F583 HydrophobicContact CD1-CE2 3.93Å; L524-F583 HydrophobicContact CD1-CG 3.88Å; L524-F583 HydrophobicContact CD1-CZ 4.47Å; D525-F583 WeakPolarHBondContact OD1-CZ 2.8Å; V528-F583 HydrophobicContact CG2-CD1 3.93Å; V528-F583 HydrophobicContact CG2-CE1 4.15Å; I538-F583 HydrophobicContact CD1-CB 4.14Å; I538-F583 HydrophobicContact CD1-CD1 4.44Å; F583-G585 PolarHBondContact O-N 3.47Å; F583-G585 VanDerWaalsContact O-N 3.14Å; F583-K586 PolarHBondContact N-O 3.29Å; F583-K586 WeakPolarHBondContact O-CB 3.27Å; F583-K586 PolarHBondContact O-N 3.19Å; F583-F588 HydrophobicContact CB-CE2 3.83Å; F583-F588 HydrophobicContact CB-CZ 3.68Å
584	D	93.8	Very high	94.7	Very high	88 Å²	88	42.7 Å²	42.7	47%	0.471	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	42.4	-174.8	-74.1	0.4	0	0	0	113.8	K586	D584-K586 PolarHBondContact O-N 2.99Å
585	G	93.4	Very high	94.4	Very high	54 Å²	54	44.5 Å²	44.5	56%	0.557	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	3.8	-179.4	0	0	0	0	0	115.1	F583	F583-G585 PolarHBondContact O-N 3.47Å; F583-G585 VanDerWaalsContact O-N 3.14Å
586	K	95.6	Very high	94.3	Very high	61 Å²	61	42.1 Å²	42.1	27%	0.265	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.1	176.8	-52.6	-60.9	-173.2	165	0	109.9	M531 Q535 I538 E582 F583 D584	M531-K586 HydrophobicContact CE-CB 4.41Å; M531-K586 HydrophobicContact CE-CD 3.95Å; M531-K586 HydrophobicContact CE-CG 4.03Å; M531-K586 HydrophobicContact SD-CD 4.39Å; M531-K586 HydrophobicContact SD-CG 3.97Å; Q535-K586 PolarHBondContact O-NZ 2.86Å; I538-K586 HydrophobicContact CD1-CB 4.09Å; I538-K586 HydrophobicContact CG1-CB 3.99Å; E582-K586 CarbonylContact C-O 3.6Å; E582-K586 VanDerWaalsContact CA-O 3.23Å; E582-K586 WeakPolarHBondContact CA-O 3.45Å; E582-K586 WeakPolarHBondContact CB-O 3.35Å; F583-K586 PolarHBondContact N-O 3.29Å; F583-K586 WeakPolarHBondContact O-CB 3.27Å; F583-K586 PolarHBondContact O-N 3.19Å; D584-K586 PolarHBondContact O-N 2.99Å
587	R	95.8	Very high	93.8	Very high	150 Å²	150	50 Å²	50	57%	0.566	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.8	178.1	-64.4	-170	-175.2	177.2	0.7	111.1	K537 I538 E582	K537-R587 CarbonylContact C-O 3.56Å; K537-R587 VanDerWaalsContact CA-O 3.23Å; K537-R587 WeakPolarHBondContact CA-O 3.43Å; K537-R587 HydrophobicContact CD-CB 3.95Å; I538-R587 PolarHBondContact N-O 2.92Å; E582-R587 HydrophobicContact CB-CG 4.37Å
588	F	96.3	Very high	93.2	Very high	29 Å²	29	50.4 Å²	50.4	13%	0.127	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.2	172.3	-64	-88.6	0	0	0	111.1	L524 I538 F540 I577 L580 F583	L524-F588 HydrophobicContact CD1-CE1 4.43Å; L524-F588 HydrophobicContact CD1-CZ 3.98Å; L524-F588 HydrophobicContact CD2-CE1 4.06Å; L524-F588 HydrophobicContact CD2-CZ 4.39Å; I538-F588 HydrophobicContact CB-CD1 3.88Å; I538-F588 HydrophobicContact CB-CE1 4.12Å; I538-F588 HydrophobicContact CD1-CD1 4.41Å; I538-F588 HydrophobicContact CD1-CE1 3.88Å; I538-F588 HydrophobicContact CD1-CZ 4.02Å; I538-F588 HydrophobicContact CG2-CD1 3.78Å; I538-F588 HydrophobicContact CG2-CE1 3.81Å; I538-F588 CarbonylContact O-C 3.54Å; I538-F588 WeakPolarHBondContact O-CA 3.48Å; F540-F588 HydrophobicContact CD1-CB 4.09Å; F540-F588 HydrophobicContact CD1-CD1 4.43Å; F540-F588 HydrophobicContact CE1-CB 3.76Å; I577-F588 HydrophobicContact CD1-CD1 4.33Å; I577-F588 HydrophobicContact CD1-CE1 4.04Å; I577-F588 HydrophobicContact CD1-CZ 4.48Å; I577-F588 HydrophobicContact CG2-CB 3.85Å; I577-F588 HydrophobicContact CG2-CD1 3.89Å; I577-F588 HydrophobicContact CG2-CD2 4.43Å; I577-F588 HydrophobicContact CG2-CG 3.79Å; L580-F588 HydrophobicContact CB-CE2 4.27Å; L580-F588 HydrophobicContact CD2-CE2 3.54Å; L580-F588 HydrophobicContact CD2-CZ 3.58Å; L580-F588 HydrophobicContact CG-CE2 3.72Å; L580-F588 HydrophobicContact CG-CZ 4.28Å; L580-F588 WeakPolarHBondContact O-CD2 3.46Å; F583-F588 HydrophobicContact CB-CE2 3.83Å; F583-F588 HydrophobicContact CB-CZ 3.68Å
589	Q	95.8	Very high	92.6	Very high	25 Å²	25	50.8 Å²	50.8	12%	0.117	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111.8	175.7	176.6	64.4	61.1	0	0	109.6	K537 I538 Y539 F540 V591 E594 V596	K537-Q589 HydrophobicContact CB-CB 3.94Å; K537-Q589 HydrophobicContact CG-CB 4.24Å; I538-Q589 PolarHBondContact O-N 2.88Å; Y539-Q589 WeakPolarHBondContact CA-O 3.42Å; Y539-Q589 HydrophobicContact CD1-CB 4.01Å; Y539-Q589 HydrophobicContact CD1-CG 4.01Å; Y539-Q589 HydrophobicContact CE1-CB 4.28Å; Y539-Q589 HydrophobicContact CE1-CG 4.11Å; F540-Q589 WeakPolarHBondContact CD1-O 3.41Å; F540-Q589 VanDerWaalsContact CE1-C 3.48Å; F540-Q589 PolarHBondContact N-O 3.22Å; F540-Q589 VanDerWaalsContact N-O 3.13Å; Q589-V591 PolarHBondContact O-N 3.39Å; Q589-E594 PolarHBondContact NE2-O 3.33Å; Q589-E594 VanDerWaalsContact NE2-O 3.13Å; Q589-V596 HydrophobicContact CG-CG2 4.02Å
590	N	95.9	Very high	91.8	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.7	171.7	-169.8	-36.7	0	0	0	108.8	F540 E574 A592 K593	F540-N590 HydrophobicContact CE1-CB 3.89Å; F540-N590 VanDerWaalsContact CE1-N 3.28Å; F540-N590 HydrophobicContact CE2-CB 3.79Å; F540-N590 HydrophobicContact CZ-CB 3.44Å; F540-N590 VanDerWaalsContact CZ-CB 3.44Å; E574-N590 PolarHBondContact OE1-ND2 2.87Å; N590-A592 PolarHBondContact O-N 3.42Å; N590-A592 WeakPolarHBondContact OD1-CB 3.45Å; N590-A592 PolarHBondContact OD1-N 2.95Å; N590-K593 HydrophobicContact CB-CB 4.27Å; N590-K593 HydrophobicContact CB-CD 4.17Å; N590-K593 HydrophobicContact CB-CG 3.97Å; N590-K593 PolarHBondContact O-N 3.32Å
591	V	96.3	Very high	91.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-14.2	-178.6	-58.1	0	0	0	0	113.4	Y539 F540 M541 F554 V555 L558 Q589 K593 R639	Y539-V591 HydrophobicContact CD1-CG1 4.25Å; F540-V591 WeakPolarHBondContact O-CG2 3.45Å; F540-V591 PolarHBondContact O-N 3.23Å; M541-V591 HydrophobicContact CB-CG2 3.7Å; M541-V591 HydrophobicContact CG-CG2 4.23Å; M541-V591 HydrophobicContact SD-CG2 3.85Å; F554-V591 HydrophobicContact CB-CB 4.17Å; F554-V591 HydrophobicContact CB-CG2 3.71Å; F554-V591 WeakPolarHBondContact CB-O 3.46Å; V555-V591 HydrophobicContact CG1-CG2 3.92Å; L558-V591 HydrophobicContact CD1-CB 4.34Å; L558-V591 HydrophobicContact CD1-CG1 3.94Å; L558-V591 HydrophobicContact CD2-CG1 4.17Å; Q589-V591 PolarHBondContact O-N 3.39Å; V591-K593 VanDerWaalsContact C-N 3.32Å; V591-R639 PolarHBondContact O-NH1 2.92Å
592	A	95.6	Very high	91.2	Very high	5 Å²	5	57 Å²	57	4%	0.041	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.1	172.4	0	0	0	0	0	113.3	M541 F554 N590 A649	M541-A592 HydrophobicContact SD-CB 4.18Å; F554-A592 HydrophobicContact CD2-CB 3.68Å; F554-A592 HydrophobicContact CE2-CB 3.71Å; F554-A592 HydrophobicContact CG-CB 4.23Å; F554-A592 HydrophobicContact CZ-CB 4.27Å; N590-A592 PolarHBondContact O-N 3.42Å; N590-A592 WeakPolarHBondContact OD1-CB 3.45Å; N590-A592 PolarHBondContact OD1-N 2.95Å; A592-A649 PolarHBondContact O-N 3.45Å; A592-A649 VanDerWaalsContact O-N 3.07Å
593	K	94.6	Very high	91	Very high	26 Å²	26	60.1 Å²	60.1	11%	0.113	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-106.6	164.6	176.5	-61.6	-167.9	-177.4	-166.3	0	112.1	N590 V591 R639 V648 A649 G653	N590-K593 HydrophobicContact CB-CB 4.27Å; N590-K593 HydrophobicContact CB-CD 4.17Å; N590-K593 HydrophobicContact CB-CG 3.97Å; N590-K593 PolarHBondContact O-N 3.32Å; V591-K593 VanDerWaalsContact C-N 3.32Å; K593-R639 PolarHBondContact O-NH1 3.47Å; K593-R639 PolarHBondContact O-NH2 2.95Å; K593-V648 VanDerWaalsContact C-CG1 3.4Å; K593-A649 CarbonylContact C-O 3.53Å; K593-A649 WeakPolarHBondContact CA-O 3.15Å; K593-A649 HydrophobicContact CG-CB 4.09Å; K593-G653 WeakPolarHBondContact CE-O 3.34Å; K593-G653 PolarHBondContact NZ-O 3.37Å
594	E	92.2	Very high	90.5	Very high	51 Å²	51	63 Å²	63	24%	0.238	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	153.3	167	-67.4	-171.8	164.7	0	0	111.2	Q589 K633 V648 A649 T684	Q589-E594 PolarHBondContact NE2-O 3.33Å; Q589-E594 VanDerWaalsContact NE2-O 3.13Å; E594-K633 WeakPolarHBondContact OE1-CE 3.36Å; E594-K633 IonicContact OE1-NZ 3.55Å; E594-K633 PolarHBondContact OE1-NZ 2.86Å; E594-K633 IonicContact OE2-NZ 3.87Å; E594-V648 HydrophobicContact CG-CG1 3.86Å; E594-A649 PolarHBondContact N-O 3Å; E594-T684 PolarHBondContact OE1-OG1 2.86Å
595	G	88.8	Confident	90.2	Very high	39 Å²	39	62.6 Å²	62.6	40%	0.402	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	116	-11.1	175.6	0	0	0	0	0	115.7	K597	G595-K597 PolarHBondContact O-N 3.2Å; G595-K597 VanDerWaalsContact O-N 3.16Å
596	V	90.9	Very high	90	Very high	12 Å²	12	66 Å²	66	7%	0.073	32%	0.321	C	S	.	.			trans	-67.3	113.6	173.4	-177	0	0	0	0	109.5	Y539 L558 Q589 F598	Y539-V596 HydrophobicContact CE1-CG1 4.43Å; L558-V596 HydrophobicContact CD1-CG1 4.3Å; Q589-V596 HydrophobicContact CG-CG2 4.02Å; V596-F598 HydrophobicContact CG1-CE2 4.04Å; V596-F598 HydrophobicContact CG1-CZ 3.9Å
597	K	85.5	Confident	89.7	Confident	166 Å²	166	66.2 Å²	66.2	72%	0.722	33%	0.331	S	S	*	.			trans	-118.3	146	176.8	-65.6	179.7	-177.2	-179.3	0	109.5	G595	G595-K597 PolarHBondContact O-N 3.2Å; G595-K597 VanDerWaalsContact O-N 3.16Å
598	F	84.4	Confident	89.4	Confident	15 Å²	15	62 Å²	62	7%	0.066	32%	0.315	C	S	.	.			trans	-116.2	143.1	171.4	-59.2	-78.1	0	0	0	109.8	R557 L558 K561 Y563 V596 E600 Q638	R557-F598 HydrophobicContact CB-CZ 4.34Å; R557-F598 HydrophobicContact CG-CZ 4.39Å; L558-F598 HydrophobicContact CD1-CZ 4.37Å; L558-F598 HydrophobicContact CG-CE1 4.1Å; L558-F598 HydrophobicContact CG-CZ 4.08Å; K561-F598 HydrophobicContact CD-CD1 3.55Å; K561-F598 HydrophobicContact CD-CE1 3.87Å; K561-F598 HydrophobicContact CD-CG 4.17Å; K561-F598 VanDerWaalsContact NZ-CG 3.27Å; Y563-F598 HydrophobicContact CD2-CE1 4.45Å; Y563-F598 HydrophobicContact CE2-CD1 4.14Å; Y563-F598 HydrophobicContact CE2-CE1 4.34Å; V596-F598 HydrophobicContact CG1-CE2 4.04Å; V596-F598 HydrophobicContact CG1-CZ 3.9Å; F598-E600 PolarHBondContact O-N 2.98Å; F598-Q638 HydrophobicContact CD2-CB 4.43Å; F598-Q638 WeakPolarHBondContact CE2-O 3.16Å
599	D	79.2	Confident	89.1	Confident	108 Å²	108	64.3 Å²	64.3	58%	0.578	33%	0.326	S	S	*	.			trans	-61.9	124.9	164.2	-74.4	-6.8	0	0	0	108.9	K534	K534-D599 VanDerWaalsContact CD-OD2 3.22Å; K534-D599 WeakPolarHBondContact CD-OD2 3.26Å
600	E	79.3	Confident	89	Confident	54 Å²	54	65.9 Å²	65.9	25%	0.252	34%	0.343	S	S	.	.			trans	-126.9	141	-178	-72.4	-177.9	164.3	0	0	109.2	F598 T604 R608	F598-E600 PolarHBondContact O-N 2.98Å; E600-T604 HydrophobicContact CB-CG2 4.18Å; E600-T604 HydrophobicContact CG-CG2 3.98Å; E600-R608 IonicContact OE2-CZ 3.42Å; E600-R608 IonicContact OE2-NH1 3.79Å; E600-R608 PolarHBondContact OE2-NH1 3.37Å
601	S	84.7	Confident	88.8	Confident	67 Å²	67	67.1 Å²	67.1	47%	0.469	35%	0.351	S	S	.	.			trans	-69.9	155.1	168.4	72.6	0	0	0	0	109.9	K603 T604 K605	S601-K603 PolarHBondContact O-N 3.33Å; S601-T604 WeakPolarHBondContact O-CA 3.15Å; S601-T604 WeakPolarHBondContact O-CB 3.33Å; S601-T604 PolarHBondContact O-N 3.15Å; S601-T604 PolarHBondContact OG-N 2.97Å; S601-T604 PolarHBondContact OG-OG1 3.13Å; S601-K605 PolarHBondContact O-N 3.42Å
602	E	87.1	Confident	88.7	Confident	130 Å²	130	70.1 Å²	70.1	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-50.9	-41.9	174.7	-74.7	-62	147.2	0	0	111.7	T604 K605 E606	E602-T604 VanDerWaalsContact C-N 3.33Å; E602-T604 PolarHBondContact O-N 3.3Å; E602-K605 WeakPolarHBondContact O-CB 2.91Å; E602-K605 PolarHBondContact O-N 3.29Å; E602-E606 WeakPolarHBondContact O-CG 3.46Å; E602-E606 PolarHBondContact O-N 3.5Å
603	K	88.1	Confident	88.6	Confident	165 Å²	165	77 Å²	77	72%	0.717	40%	0.395	S	S	*	.	H	α-helix	trans	-60.7	-38.2	175.2	-173.8	178.1	-178.5	178.4	0	113.4	S601 S607	S601-K603 PolarHBondContact O-N 3.33Å; K603-S607 WeakPolarHBondContact O-CB 3.38Å; K603-S607 PolarHBondContact O-N 2.88Å; K603-S607 VanDerWaalsContact O-N 3.09Å
604	T	86.4	Confident	88.6	Confident	67 Å²	67	80.8 Å²	80.8	41%	0.411	41%	0.412	S	S	.	.	H	α-helix	trans	-69.4	-40	177.7	-53	0	0	0	0	110.8	E600 S601 E602 S607 R608	E600-T604 HydrophobicContact CB-CG2 4.18Å; E600-T604 HydrophobicContact CG-CG2 3.98Å; S601-T604 WeakPolarHBondContact O-CA 3.15Å; S601-T604 WeakPolarHBondContact O-CB 3.33Å; S601-T604 PolarHBondContact O-N 3.15Å; S601-T604 PolarHBondContact OG-N 2.97Å; S601-T604 PolarHBondContact OG-OG1 3.13Å; E602-T604 VanDerWaalsContact C-N 3.33Å; E602-T604 PolarHBondContact O-N 3.3Å; T604-S607 PolarHBondContact O-N 2.88Å; T604-R608 WeakPolarHBondContact O-CB 3.26Å; T604-R608 PolarHBondContact O-N 3.27Å
605	K	87.6	Confident	88.8	Confident	81 Å²	81	78.6 Å²	78.6	35%	0.352	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-47.5	177.2	-176.1	-176.1	170.3	-164	0	111.7	S601 E602 S607 R608 E609	S601-K605 PolarHBondContact O-N 3.42Å; E602-K605 WeakPolarHBondContact O-CB 2.91Å; E602-K605 PolarHBondContact O-N 3.29Å; K605-S607 VanDerWaalsContact C-N 3.34Å; K605-S607 PolarHBondContact O-N 3.04Å; K605-R608 WeakPolarHBondContact O-CB 3.34Å; K605-R608 PolarHBondContact O-N 3Å; K605-E609 VanDerWaalsContact CE-OE1 3.32Å; K605-E609 WeakPolarHBondContact CE-OE1 3.5Å; K605-E609 WeakPolarHBondContact O-CG 3.33Å; K605-E609 PolarHBondContact O-N 3.01Å
606	E	90.1	Very high	89.1	Confident	124 Å²	124	81.6 Å²	81.6	58%	0.579	41%	0.406	S	S	*	.	H	α-helix	trans	-58.1	-45	174.3	-72.7	175.4	172.8	0	0	111.8	E602 R608 E609 A610	E602-E606 WeakPolarHBondContact O-CG 3.46Å; E602-E606 PolarHBondContact O-N 3.5Å; E606-R608 VanDerWaalsContact C-N 3.26Å; E606-R608 PolarHBondContact O-N 3.12Å; E606-E609 PolarHBondContact O-N 3.35Å; E606-A610 WeakPolarHBondContact O-CB 3.44Å; E606-A610 PolarHBondContact O-N 3.24Å
607	S	89.5	Confident	89.3	Confident	66 Å²	66	84.1 Å²	84.1	46%	0.462	42%	0.422	S	S	.	.	H	α-helix	trans	-62.4	-34.1	176.1	179.5	0	0	0	0	112.2	K603 T604 K605 V611	K603-S607 WeakPolarHBondContact O-CB 3.38Å; K603-S607 PolarHBondContact O-N 2.88Å; K603-S607 VanDerWaalsContact O-N 3.09Å; T604-S607 PolarHBondContact O-N 2.88Å; K605-S607 VanDerWaalsContact C-N 3.34Å; K605-S607 PolarHBondContact O-N 3.04Å; S607-V611 VanDerWaalsContact O-CG2 3.28Å; S607-V611 WeakPolarHBondContact O-CG2 3.21Å; S607-V611 PolarHBondContact O-N 3.47Å
608	R	88.4	Confident	89.8	Confident	61 Å²	61	76.2 Å²	76.2	23%	0.23	39%	0.388	C	S	.	.	H	α-helix	trans	-70.3	-47.4	177.3	-170.5	-170.4	74.9	-154.2	-0.3	110.9	E600 T604 K605 E606 A610 V611 E612	E600-R608 IonicContact OE2-CZ 3.42Å; E600-R608 IonicContact OE2-NH1 3.79Å; E600-R608 PolarHBondContact OE2-NH1 3.37Å; T604-R608 WeakPolarHBondContact O-CB 3.26Å; T604-R608 PolarHBondContact O-N 3.27Å; K605-R608 WeakPolarHBondContact O-CB 3.34Å; K605-R608 PolarHBondContact O-N 3Å; E606-R608 VanDerWaalsContact C-N 3.26Å; E606-R608 PolarHBondContact O-N 3.12Å; R608-A610 VanDerWaalsContact C-N 3.27Å; R608-A610 PolarHBondContact O-N 3.37Å; R608-V611 PolarHBondContact O-N 3.15Å; R608-V611 VanDerWaalsContact O-N 3.12Å; R608-E612 IonicContact NE-OE1 3.7Å; R608-E612 PolarHBondContact NE-OE1 3.35Å; R608-E612 WeakPolarHBondContact O-CG 3.17Å; R608-E612 PolarHBondContact O-N 3.49Å
609	E	90.7	Very high	90.3	Very high	78 Å²	78	76.4 Å²	76.4	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-61.3	-35.5	177.8	-70.2	175.4	-171.5	0	0	111.8	K605 E606 K613	K605-E609 VanDerWaalsContact CE-OE1 3.32Å; K605-E609 WeakPolarHBondContact CE-OE1 3.5Å; K605-E609 WeakPolarHBondContact O-CG 3.33Å; K605-E609 PolarHBondContact O-N 3.01Å; E606-E609 PolarHBondContact O-N 3.35Å; E609-K613 WeakPolarHBondContact O-CG 3.49Å; E609-K613 PolarHBondContact O-N 2.97Å; E609-K613 VanDerWaalsContact O-N 3.11Å
610	A	93	Very high	91.1	Very high	58 Å²	58	74.9 Å²	74.9	48%	0.479	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-42.6	173.1	0	0	0	0	0	112.5	E606 R608 K613 E614	E606-A610 WeakPolarHBondContact O-CB 3.44Å; E606-A610 PolarHBondContact O-N 3.24Å; R608-A610 VanDerWaalsContact C-N 3.27Å; R608-A610 PolarHBondContact O-N 3.37Å; A610-K613 PolarHBondContact O-N 3.4Å; A610-E614 PolarHBondContact O-N 2.9Å
611	V	92.7	Very high	91.9	Very high	36 Å²	36	73 Å²	73	22%	0.218	37%	0.372	C	S	.	.	H	α-helix	trans	-69.3	-38.7	176.8	171.9	0	0	0	0	111.2	S607 R608 K613 E614 F615 V636 P689	S607-V611 VanDerWaalsContact O-CG2 3.28Å; S607-V611 WeakPolarHBondContact O-CG2 3.21Å; S607-V611 PolarHBondContact O-N 3.47Å; R608-V611 PolarHBondContact O-N 3.15Å; R608-V611 VanDerWaalsContact O-N 3.12Å; V611-K613 VanDerWaalsContact C-N 3.31Å; V611-K613 PolarHBondContact O-N 2.71Å; V611-E614 PolarHBondContact O-N 3.3Å; V611-F615 HydrophobicContact CG1-CD2 3.84Å; V611-F615 HydrophobicContact CG1-CE2 4.11Å; V611-F615 WeakPolarHBondContact O-CD2 3.32Å; V611-F615 PolarHBondContact O-N 2.96Å; V611-V636 HydrophobicContact CG1-CG1 4.43Å; V611-P689 HydrophobicContact CG1-CB 3.5Å; V611-P689 VanDerWaalsContact CG1-CB 3.5Å; V611-P689 HydrophobicContact CG1-CG 3.57Å
612	E	93.1	Very high	92.4	Very high	64 Å²	64	69.8 Å²	69.8	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-58.3	-43.5	174	-78.6	170.3	-167.3	0	0	111.3	R608 F615 E616 V636	R608-E612 IonicContact NE-OE1 3.7Å; R608-E612 PolarHBondContact NE-OE1 3.35Å; R608-E612 WeakPolarHBondContact O-CG 3.17Å; R608-E612 PolarHBondContact O-N 3.49Å; E612-F615 PolarHBondContact O-N 3Å; E612-E616 PolarHBondContact O-N 2.61Å; E612-V636 HydrophobicContact CG-CB 3.85Å; E612-V636 HydrophobicContact CG-CG1 4.48Å; E612-V636 HydrophobicContact CG-CG2 3.89Å
613	K	94.4	Very high	92.8	Very high	150 Å²	150	68 Å²	68	65%	0.652	34%	0.34	S	S	*	.	H	α-helix	trans	-65.3	-39.5	174.1	-72.7	175.3	-179.1	175.9	0	113.4	E609 A610 V611 F615	E609-K613 WeakPolarHBondContact O-CG 3.49Å; E609-K613 PolarHBondContact O-N 2.97Å; E609-K613 VanDerWaalsContact O-N 3.11Å; A610-K613 PolarHBondContact O-N 3.4Å; V611-K613 VanDerWaalsContact C-N 3.31Å; V611-K613 PolarHBondContact O-N 2.71Å; K613-F615 VanDerWaalsContact C-N 3.29Å; K613-F615 PolarHBondContact O-N 3.12Å
614	E	94.9	Very high	93.1	Very high	105 Å²	105	64.8 Å²	64.8	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-39	177.7	-178.2	-172.7	173.6	0	0	112	A610 V611 L698	A610-E614 PolarHBondContact O-N 2.9Å; V611-E614 PolarHBondContact O-N 3.3Å; E614-L698 HydrophobicContact CG-CD2 4.28Å
615	F	96	Very high	93.3	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-93.4	-6.1	-176.2	-79	-95	0	0	0	114	V611 E612 K613 P617 L618 L619 V636 I687 P689 I694 R695 L698	V611-F615 HydrophobicContact CG1-CD2 3.84Å; V611-F615 HydrophobicContact CG1-CE2 4.11Å; V611-F615 WeakPolarHBondContact O-CD2 3.32Å; V611-F615 PolarHBondContact O-N 2.96Å; E612-F615 PolarHBondContact O-N 3Å; K613-F615 VanDerWaalsContact C-N 3.29Å; K613-F615 PolarHBondContact O-N 3.12Å; F615-P617 VanDerWaalsContact C-N 3.31Å; F615-L618 HydrophobicContact CD1-CD2 4.15Å; F615-L618 WeakPolarHBondContact O-CB 3.35Å; F615-L618 PolarHBondContact O-N 3.3Å; F615-L619 WeakPolarHBondContact O-CG 3.34Å; F615-L619 PolarHBondContact O-N 2.62Å; F615-V636 HydrophobicContact CB-CG2 4.21Å; F615-I687 HydrophobicContact CD1-CD1 4.2Å; F615-P689 HydrophobicContact CD1-CB 4.38Å; F615-P689 HydrophobicContact CD2-CB 3.82Å; F615-P689 HydrophobicContact CE1-CB 4.16Å; F615-P689 HydrophobicContact CE2-CB 3.53Å; F615-P689 HydrophobicContact CG-CB 4.23Å; F615-P689 HydrophobicContact CZ-CB 3.71Å; F615-P689 WeakPolarHBondContact CZ-O 3.36Å; F615-I694 HydrophobicContact CD1-CG2 4.14Å; F615-I694 HydrophobicContact CE1-CG2 3.75Å; F615-R695 HydrophobicContact CZ-CG 4.1Å; F615-L698 HydrophobicContact CD1-CB 4.48Å; F615-L698 HydrophobicContact CD1-CD2 3.9Å; F615-L698 HydrophobicContact CD2-CD2 4.33Å; F615-L698 HydrophobicContact CE1-CB 4.16Å; F615-L698 HydrophobicContact CE1-CD2 3.74Å; F615-L698 HydrophobicContact CE2-CD2 4.22Å; F615-L698 HydrophobicContact CG-CD2 4.19Å; F615-L698 HydrophobicContact CZ-CD2 3.93Å
616	E	95.5	Very high	93.5	Very high	103 Å²	103	61.6 Å²	61.6	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-48.2	-42.7	178.2	-172.1	175.1	-175.9	0	0	113.8	E612 L618 L619 N620	E612-E616 PolarHBondContact O-N 2.61Å; E616-L618 VanDerWaalsContact C-N 3.33Å; E616-L618 PolarHBondContact O-N 3.19Å; E616-L619 PolarHBondContact O-N 3.12Å; E616-N620 PolarHBondContact O-N 3.42Å; E616-N620 PolarHBondContact O-ND2 3.17Å
617	P	95	Very high	93.7	Very high	64 Å²	64	55.8 Å²	55.8	42%	0.416	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-40.7	175.2	-23.9	35.1	0	0	0	113.4	F615 W621 I701	F615-P617 VanDerWaalsContact C-N 3.31Å; P617-W621 VanDerWaalsContact O-CB 3.31Å; P617-W621 WeakPolarHBondContact O-CB 3.47Å; P617-W621 PolarHBondContact O-N 3.1Å; P617-I701 HydrophobicContact CB-CD1 4.46Å
618	L	95.7	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.4	-38.5	178.5	-179.7	64.6	0	0	0	111.8	F615 E616 W621 M622 I687 I694 M697 L698 I701	F615-L618 HydrophobicContact CD1-CD2 4.15Å; F615-L618 WeakPolarHBondContact O-CB 3.35Å; F615-L618 PolarHBondContact O-N 3.3Å; E616-L618 VanDerWaalsContact C-N 3.33Å; E616-L618 PolarHBondContact O-N 3.19Å; L618-W621 HydrophobicContact CD1-CE3 3.97Å; L618-W621 HydrophobicContact CD1-CZ3 4.42Å; L618-W621 PolarHBondContact O-N 2.74Å; L618-M622 HydrophobicContact CD1-CE 3.93Å; L618-M622 HydrophobicContact CD1-CG 4.27Å; L618-M622 HydrophobicContact CD2-CE 4.01Å; L618-M622 HydrophobicContact CG-CE 3.93Å; L618-M622 HydrophobicContact CG-CG 4.43Å; L618-M622 HydrophobicContact CG-SD 4.36Å; L618-M622 WeakPolarHBondContact O-CB 3.44Å; L618-M622 VanDerWaalsContact O-CG 3.3Å; L618-M622 WeakPolarHBondContact O-CG 3.5Å; L618-M622 PolarHBondContact O-N 3.44Å; L618-I687 HydrophobicContact CD2-CD1 4.18Å; L618-I694 HydrophobicContact CD2-CG2 3.99Å; L618-M697 HydrophobicContact CD1-CB 4.22Å; L618-M697 HydrophobicContact CD2-CB 4.36Å; L618-L698 HydrophobicContact CB-CD1 3.79Å; L618-L698 HydrophobicContact CD2-CB 4.17Å; L618-I701 VanDerWaalsContact CA-CD1 3.45Å; L618-I701 HydrophobicContact CB-CD1 3.81Å; L618-I701 HydrophobicContact CD1-CD1 3.78Å; L618-I701 HydrophobicContact CD1-CG1 4.21Å; L618-I701 HydrophobicContact CD1-CG2 4.25Å; L618-I701 HydrophobicContact CG-CD1 4.44Å
619	L	96.1	Very high	93.9	Very high	19 Å²	19	61.4 Å²	61.4	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-44.9	177.4	-61.7	-179.9	0	0	0	111.5	F615 E616 M622 K623 A634 V636 I687	F615-L619 WeakPolarHBondContact O-CG 3.34Å; F615-L619 PolarHBondContact O-N 2.62Å; E616-L619 PolarHBondContact O-N 3.12Å; L619-M622 PolarHBondContact O-N 3.49Å; L619-K623 WeakPolarHBondContact O-CB 3.45Å; L619-K623 PolarHBondContact O-N 2.66Å; L619-A634 HydrophobicContact CB-CB 4.24Å; L619-A634 HydrophobicContact CD2-CB 3.89Å; L619-V636 HydrophobicContact CD1-CG2 4.23Å; L619-I687 HydrophobicContact CD2-CD1 3.45Å; L619-I687 VanDerWaalsContact CD2-CD1 3.45Å; L619-I687 HydrophobicContact CD2-CG1 3.83Å; L619-I687 HydrophobicContact CG-CD1 4.48Å
620	N	95.8	Very high	93.9	Very high	77 Å²	77	61.4 Å²	61.4	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-46	177.2	-66.6	-20.7	0	0	0	110.9	E616 M622 K623 D624	E616-N620 PolarHBondContact O-N 3.42Å; E616-N620 PolarHBondContact O-ND2 3.17Å; N620-M622 VanDerWaalsContact C-N 3.34Å; N620-M622 PolarHBondContact O-N 3.43Å; N620-K623 PolarHBondContact O-N 3.16Å; N620-D624 WeakPolarHBondContact O-CB 3.47Å; N620-D624 PolarHBondContact O-N 3.33Å
621	W	95.4	Very high	94	Very high	13 Å²	13	59 Å²	59	5%	0.049	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-41.8	176.5	178.8	93.2	0	0	0	112.6	P617 L618 K625 A626 M697 I701 E705 V710 L711 A714	P617-W621 VanDerWaalsContact O-CB 3.31Å; P617-W621 WeakPolarHBondContact O-CB 3.47Å; P617-W621 PolarHBondContact O-N 3.1Å; L618-W621 HydrophobicContact CD1-CE3 3.97Å; L618-W621 HydrophobicContact CD1-CZ3 4.42Å; L618-W621 PolarHBondContact O-N 2.74Å; W621-K625 WeakPolarHBondContact O-CA 3.36Å; W621-K625 WeakPolarHBondContact O-CB 3.44Å; W621-K625 PolarHBondContact O-N 3.2Å; W621-A626 HydrophobicContact CD2-CB 4.33Å; W621-A626 HydrophobicContact CE3-CB 3.87Å; W621-A626 HydrophobicContact CH2-CB 3.5Å; W621-A626 HydrophobicContact CZ2-CB 4.02Å; W621-A626 HydrophobicContact CZ3-CB 3.43Å; W621-A626 VanDerWaalsContact CZ3-CB 3.43Å; W621-A626 PolarHBondContact O-N 3.24Å; W621-M697 HydrophobicContact CH2-CE 4.48Å; W621-M697 HydrophobicContact CZ3-CE 3.98Å; W621-I701 HydrophobicContact CB-CD1 4.15Å; W621-I701 HydrophobicContact CD2-CG2 3.74Å; W621-I701 HydrophobicContact CE3-CG2 3.99Å; W621-I701 HydrophobicContact CG-CD1 4.41Å; W621-I701 HydrophobicContact CG-CG2 4.22Å; W621-I701 HydrophobicContact CH2-CG2 4.25Å; W621-I701 HydrophobicContact CZ2-CG2 3.99Å; W621-I701 HydrophobicContact CZ3-CG2 4.24Å; W621-E705 PolarHBondContact NE1-O 3.49Å; W621-V710 HydrophobicContact CH2-CG1 3.71Å; W621-V710 HydrophobicContact CZ2-CG1 4.09Å; W621-V710 HydrophobicContact CZ3-CG1 4.41Å; W621-L711 HydrophobicContact CH2-CD2 3.99Å; W621-L711 HydrophobicContact CH2-CG 4.49Å; W621-L711 HydrophobicContact CZ2-CD2 3.44Å; W621-L711 VanDerWaalsContact CZ2-CD2 3.44Å; W621-L711 HydrophobicContact CZ2-CG 3.93Å; W621-A714 HydrophobicContact CH2-CB 3.77Å; W621-A714 HydrophobicContact CZ3-CB 3.73Å
622	M	95.3	Very high	94	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.301	C	S	.	.	I	π-helix	trans	-62.5	-46	175.4	-77.9	-176	175.2	0	0	111.7	L618 L619 N620 L627 A634 F685 I687 M697	L618-M622 HydrophobicContact CD1-CE 3.93Å; L618-M622 HydrophobicContact CD1-CG 4.27Å; L618-M622 HydrophobicContact CD2-CE 4.01Å; L618-M622 HydrophobicContact CG-CE 3.93Å; L618-M622 HydrophobicContact CG-CG 4.43Å; L618-M622 HydrophobicContact CG-SD 4.36Å; L618-M622 WeakPolarHBondContact O-CB 3.44Å; L618-M622 VanDerWaalsContact O-CG 3.3Å; L618-M622 WeakPolarHBondContact O-CG 3.5Å; L618-M622 PolarHBondContact O-N 3.44Å; L619-M622 PolarHBondContact O-N 3.49Å; N620-M622 VanDerWaalsContact C-N 3.34Å; N620-M622 PolarHBondContact O-N 3.43Å; M622-L627 WeakPolarHBondContact O-CA 3.49Å; M622-L627 VanDerWaalsContact O-CB 3.27Å; M622-L627 WeakPolarHBondContact O-CB 3.28Å; M622-L627 PolarHBondContact O-N 2.97Å; M622-A634 HydrophobicContact CB-CB 4.15Å; M622-F685 HydrophobicContact CE-CE1 4.38Å; M622-F685 HydrophobicContact SD-CD1 3.99Å; M622-F685 HydrophobicContact SD-CE1 3.86Å; M622-I687 HydrophobicContact CE-CG2 4.25Å; M622-I687 HydrophobicContact SD-CG2 3.92Å; M622-M697 HydrophobicContact CE-CE 3.77Å; M622-M697 HydrophobicContact CE-SD 4.16Å
623	K	94.7	Very high	94	Very high	91 Å²	91	63.3 Å²	63.3	40%	0.396	30%	0.304	S	S	.	.	I	π-helix	trans	-69.6	-47.6	-177.8	-176	-170	174.7	-172.9	0	112.8	L619 N620 K628 E632	L619-K623 WeakPolarHBondContact O-CB 3.45Å; L619-K623 PolarHBondContact O-N 2.66Å; N620-K623 PolarHBondContact O-N 3.16Å; K623-K628 WeakPolarHBondContact O-CA 3.21Å; K623-E632 WeakPolarHBondContact CE-O 3.26Å
624	D	94.2	Very high	94.1	Very high	99 Å²	99	56.7 Å²	56.7	53%	0.529	28%	0.277	S	S	.	.	I	π-helix	trans	-92.2	-20.5	-165.5	-60.4	-27.3	0	0	0	112.5	N620	N620-D624 WeakPolarHBondContact O-CB 3.47Å; N620-D624 PolarHBondContact O-N 3.33Å
625	K	92.4	Very high	94.1	Very high	69 Å²	69	53.9 Å²	53.9	30%	0.3	27%	0.267	S	S	.	.	I	π-helix	trans	-123.4	-70.3	-176.6	-165	176.2	-172.4	176.7	0	112.7	W621 L627 E705 D706 L711	W621-K625 WeakPolarHBondContact O-CA 3.36Å; W621-K625 WeakPolarHBondContact O-CB 3.44Å; W621-K625 PolarHBondContact O-N 3.2Å; K625-L627 PolarHBondContact O-N 2.88Å; K625-E705 WeakPolarHBondContact CE-O 3.45Å; K625-E705 VanDerWaalsContact NZ-C 3.31Å; K625-E705 PolarHBondContact NZ-O 2.99Å; K625-D706 VanDerWaalsContact CE-OD1 3.23Å; K625-D706 WeakPolarHBondContact CE-OD1 3.3Å; K625-D706 IonicContact NZ-OD1 2.72Å; K625-D706 PolarHBondContact NZ-OD1 3.39Å; K625-D706 IonicContact NZ-OD2 3.69Å; K625-L711 HydrophobicContact CG-CD2 4.39Å
626	A	91.1	Very high	94.1	Very high	12 Å²	12	54.3 Å²	54.3	10%	0.099	27%	0.27	C	S	.	.	I	π-helix	trans	-68.4	-39.7	-166.6	0	0	0	0	0	114	W621 L711 A714	W621-A626 HydrophobicContact CD2-CB 4.33Å; W621-A626 HydrophobicContact CE3-CB 3.87Å; W621-A626 HydrophobicContact CH2-CB 3.5Å; W621-A626 HydrophobicContact CZ2-CB 4.02Å; W621-A626 HydrophobicContact CZ3-CB 3.43Å; W621-A626 VanDerWaalsContact CZ3-CB 3.43Å; W621-A626 PolarHBondContact O-N 3.24Å; A626-L711 HydrophobicContact CB-CD2 3.98Å; A626-A714 HydrophobicContact CB-CB 3.82Å
627	L	93.4	Very high	93.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	27.9	-177.8	-54	176.4	0	0	0	111.4	M622 K625 D629 K630 I631 F685 V715 F718	M622-L627 WeakPolarHBondContact O-CA 3.49Å; M622-L627 VanDerWaalsContact O-CB 3.27Å; M622-L627 WeakPolarHBondContact O-CB 3.28Å; M622-L627 PolarHBondContact O-N 2.97Å; K625-L627 PolarHBondContact O-N 2.88Å; L627-D629 PolarHBondContact O-N 2.84Å; L627-K630 HydrophobicContact CB-CB 4.37Å; L627-K630 HydrophobicContact CD2-CD 4.43Å; L627-K630 WeakPolarHBondContact O-CB 3.14Å; L627-K630 PolarHBondContact O-N 3.34Å; L627-I631 HydrophobicContact CB-CD1 4.05Å; L627-I631 HydrophobicContact CB-CG1 3.99Å; L627-I631 HydrophobicContact CB-CG2 4.34Å; L627-I631 HydrophobicContact CD1-CD1 4.14Å; L627-I631 HydrophobicContact CD1-CG2 4.33Å; L627-I631 PolarHBondContact O-N 3.13Å; L627-F685 HydrophobicContact CD1-CD1 4.26Å; L627-F685 HydrophobicContact CD1-CD2 4.47Å; L627-F685 HydrophobicContact CD1-CE1 4.27Å; L627-F685 HydrophobicContact CD1-CG 4.36Å; L627-F685 HydrophobicContact CD1-CZ 4.4Å; L627-V715 HydrophobicContact CD2-CG2 4.33Å; L627-F718 HydrophobicContact CD1-CB 3.83Å; L627-F718 HydrophobicContact CD1-CD2 3.96Å; L627-F718 HydrophobicContact CD1-CG 4.14Å; L627-F718 HydrophobicContact CD2-CB 3.44Å; L627-F718 VanDerWaalsContact CD2-CB 3.44Å; L627-F718 HydrophobicContact CD2-CD1 4.3Å; L627-F718 HydrophobicContact CD2-CD2 4.31Å; L627-F718 HydrophobicContact CD2-CG 3.77Å; L627-F718 HydrophobicContact CG-CB 4.29Å
628	K	92.2	Very high	93.6	Very high	134 Å²	134	49 Å²	49	58%	0.583	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	133	175.7	-169.9	-176.9	175.4	179.9	0	109.3	K623 K630	K623-K628 WeakPolarHBondContact O-CA 3.21Å; K628-K630 PolarHBondContact O-N 3.3Å
629	D	90	Very high	93.4	Very high	112 Å²	112	49.5 Å²	49.5	60%	0.599	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	-3.1	-176.7	-60.8	-52.8	0	0	0	117.7	L627 K682	L627-D629 PolarHBondContact O-N 2.84Å; D629-K682 WeakPolarHBondContact O-CE 3.29Å; D629-K682 IonicContact OD1-NZ 2.63Å; D629-K682 PolarHBondContact OD1-NZ 3.1Å; D629-K682 VanDerWaalsContact OD1-NZ 3.09Å
630	K	91.2	Very high	93.3	Very high	77 Å²	77	48.6 Å²	48.6	34%	0.335	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-27.3	175.7	-61.8	-172.4	174.6	-169.5	0	113.5	L627 K628 F718 E719	L627-K630 HydrophobicContact CB-CB 4.37Å; L627-K630 HydrophobicContact CD2-CD 4.43Å; L627-K630 WeakPolarHBondContact O-CB 3.14Å; L627-K630 PolarHBondContact O-N 3.34Å; K628-K630 PolarHBondContact O-N 3.3Å; K630-F718 HydrophobicContact CB-CE1 3.98Å; K630-F718 HydrophobicContact CB-CE2 4.15Å; K630-F718 HydrophobicContact CB-CZ 3.74Å; K630-F718 HydrophobicContact CD-CD1 3.96Å; K630-F718 HydrophobicContact CD-CE1 3.76Å; K630-F718 HydrophobicContact CD-CZ 4.4Å; K630-F718 HydrophobicContact CG-CE1 4.35Å; K630-E719 IonicContact NZ-OE1 2.76Å
631	I	94.1	Very high	93.2	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.2	-176.3	64.4	170.1	0	0	0	111.8	L627 A634 L647 F685 F718	L627-I631 HydrophobicContact CB-CD1 4.05Å; L627-I631 HydrophobicContact CB-CG1 3.99Å; L627-I631 HydrophobicContact CB-CG2 4.34Å; L627-I631 HydrophobicContact CD1-CD1 4.14Å; L627-I631 HydrophobicContact CD1-CG2 4.33Å; L627-I631 PolarHBondContact O-N 3.13Å; I631-A634 HydrophobicContact CD1-CB 3.98Å; I631-L647 HydrophobicContact CG2-CD2 4.32Å; I631-F685 HydrophobicContact CB-CB 4.35Å; I631-F685 HydrophobicContact CD1-CB 3.84Å; I631-F685 HydrophobicContact CG2-CB 3.93Å; I631-F685 HydrophobicContact CG2-CD2 4.5Å; I631-F685 HydrophobicContact CG2-CG 4.47Å; I631-F718 HydrophobicContact CG2-CD2 3.73Å; I631-F718 HydrophobicContact CG2-CE2 3.38Å; I631-F718 HydrophobicContact CG2-CZ 4.4Å
632	E	93.2	Very high	93.1	Very high	113 Å²	113	53.4 Å²	53.4	53%	0.528	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-46.9	175.3	-179.3	61.1	-161.5	0	0	110.7	K623 K682 K683	K623-E632 WeakPolarHBondContact CE-O 3.26Å; E632-K682 HydrophobicContact CB-CB 3.88Å; E632-K683 PolarHBondContact N-O 3.45Å
633	K	94.3	Very high	93.2	Very high	79 Å²	79	53.9 Å²	53.9	34%	0.343	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	151.7	177.6	63.3	-173.1	176.9	-169	0	110	E594 V635 T684 F685	E594-K633 WeakPolarHBondContact OE1-CE 3.36Å; E594-K633 IonicContact OE1-NZ 3.55Å; E594-K633 PolarHBondContact OE1-NZ 2.86Å; E594-K633 IonicContact OE2-NZ 3.87Å; K633-V635 HydrophobicContact CD-CG1 4.09Å; K633-V635 HydrophobicContact CG-CG1 4.12Å; K633-T684 HydrophobicContact CD-CG2 4.42Å; K633-T684 WeakPolarHBondContact CE-OG1 3.48Å; K633-T684 HydrophobicContact CG-CG2 3.91Å; K633-F685 PolarHBondContact O-N 2.88Å
634	A	96.2	Very high	93.2	Very high	11 Å²	11	50.3 Å²	50.3	9%	0.091	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134	166.7	0	0	0	0	0	109.1	L619 M622 I631 F685	L619-A634 HydrophobicContact CB-CB 4.24Å; L619-A634 HydrophobicContact CD2-CB 3.89Å; M622-A634 HydrophobicContact CB-CB 4.15Å; I631-A634 HydrophobicContact CD1-CB 3.98Å; A634-F685 CarbonylContact C-O 3.53Å; A634-F685 VanDerWaalsContact CA-O 3.27Å; A634-F685 WeakPolarHBondContact CA-O 3.34Å
635	V	95.3	Very high	93.3	Very high	45 Å²	45	45.6 Å²	45.6	27%	0.273	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.9	179.9	-59.6	0	0	0	0	112	K633 S637 T684 F685 E686 I687	K633-V635 HydrophobicContact CD-CG1 4.09Å; K633-V635 HydrophobicContact CG-CG1 4.12Å; V635-S637 PolarHBondContact O-N 2.9Å; V635-T684 HydrophobicContact CG2-CG2 3.67Å; V635-F685 PolarHBondContact N-O 2.84Å; V635-E686 HydrophobicContact CG2-CG 3.81Å; V635-E686 CarbonylContact O-C 3.57Å; V635-E686 WeakPolarHBondContact O-CA 3.17Å; V635-I687 PolarHBondContact O-N 3.25Å
636	V	94.7	Very high	93.5	Very high	14 Å²	14	42.3 Å²	42.3	9%	0.085	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.5	170.6	177.8	0	0	0	0	109.8	V611 E612 F615 L619 P689	V611-V636 HydrophobicContact CG1-CG1 4.43Å; E612-V636 HydrophobicContact CG-CB 3.85Å; E612-V636 HydrophobicContact CG-CG1 4.48Å; E612-V636 HydrophobicContact CG-CG2 3.89Å; F615-V636 HydrophobicContact CB-CG2 4.21Å; L619-V636 HydrophobicContact CD1-CG2 4.23Å; V636-P689 HydrophobicContact CG1-CB 4.42Å; V636-P689 HydrophobicContact CG1-CG 3.67Å
637	S	92.5	Very high	93.7	Very high	5 Å²	5	42 Å²	42	4%	0.035	21%	0.207	C	C	.	.			trans	-73.7	135.7	-178.4	-169.6	0	0	0	0	113	V635 R639 L640 E686 I687	V635-S637 PolarHBondContact O-N 2.9Å; S637-R639 PolarHBondContact OG-N 3.48Å; S637-L640 WeakPolarHBondContact OG-CG 3.27Å; S637-L640 PolarHBondContact OG-N 3.42Å; S637-L640 VanDerWaalsContact OG-N 3.16Å; S637-E686 WeakPolarHBondContact CB-OE2 3.42Å; S637-E686 PolarHBondContact OG-OE2 3.18Å; S637-I687 VanDerWaalsContact CB-O 3.31Å; S637-I687 WeakPolarHBondContact CB-O 3.22Å; S637-I687 PolarHBondContact N-O 2.8Å
638	Q	88.6	Confident	93.8	Very high	49 Å²	49	41.9 Å²	41.9	23%	0.229	21%	0.206	C	C	.	.	S	Bend	trans	-92.9	-7.3	165.3	-66.8	-179.3	33.6	0	0	113.5	R557 F598	R557-Q638 WeakPolarHBondContact CD-O 3.34Å; R557-Q638 PolarHBondContact NE-O 3.41Å; R557-Q638 VanDerWaalsContact NE-O 3.1Å; R557-Q638 VanDerWaalsContact NH1-C 3.29Å; R557-Q638 PolarHBondContact NH1-O 2.65Å; F598-Q638 HydrophobicContact CD2-CB 4.43Å; F598-Q638 WeakPolarHBondContact CE2-O 3.16Å
639	R	91.7	Very high	93.9	Very high	11 Å²	11	35.7 Å²	35.7	4%	0.042	18%	0.18	C	C	.	.	S	Bend	trans	-113.1	-18.8	-172.3	76.3	-169.6	76.3	-159.5	5.7	114.8	R557 V591 K593 S637 E686	R557-R639 WeakPolarHBondContact CB-O 3.49Å; R557-R639 PolarHBondContact N-O 3.29Å; R557-R639 VanDerWaalsContact N-O 3.1Å; V591-R639 PolarHBondContact O-NH1 2.92Å; K593-R639 PolarHBondContact O-NH1 3.47Å; K593-R639 PolarHBondContact O-NH2 2.95Å; S637-R639 PolarHBondContact OG-N 3.48Å; R639-E686 IonicContact CZ-OE1 3.51Å; R639-E686 VanDerWaalsContact CZ-OE1 3.32Å; R639-E686 IonicContact CZ-OE2 3.04Å; R639-E686 IonicContact NE-OE1 3.2Å; R639-E686 PolarHBondContact NE-OE1 2.85Å; R639-E686 IonicContact NE-OE2 2.67Å; R639-E686 PolarHBondContact NE-OE2 3.35Å; R639-E686 IonicContact NH2-OE1 3.8Å; R639-E686 PolarHBondContact NH2-OE1 3.25Å
640	L	93.8	Very high	94.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.			trans	-77.2	150	179	-61.7	179.4	0	0	0	112.3	P553 R557 S637 A646 N688	P553-L640 HydrophobicContact CB-CD2 3.68Å; P553-L640 WeakPolarHBondContact O-CD2 3.28Å; R557-L640 PolarHBondContact NE-O 3.25Å; R557-L640 PolarHBondContact NH2-O 3.16Å; S637-L640 WeakPolarHBondContact OG-CG 3.27Å; S637-L640 PolarHBondContact OG-N 3.42Å; S637-L640 VanDerWaalsContact OG-N 3.16Å; L640-A646 HydrophobicContact CD1-CB 4.49Å; L640-A646 HydrophobicContact CD2-CB 3.97Å; L640-N688 HydrophobicContact CB-CB 4.04Å; L640-N688 HydrophobicContact CD1-CB 4.08Å
641	T	92.8	Very high	93.9	Very high	36 Å²	36	33.9 Å²	33.9	22%	0.221	17%	0.173	C	C	.	.	S	Bend	trans	-126.9	-54.9	169.3	64.6	0	0	0	0	113.1	E556 R557 K560 N688	E556-T641 HydrophobicContact CB-CG2 4.31Å; E556-T641 WeakPolarHBondContact CB-OG1 3.38Å; E556-T641 WeakPolarHBondContact OE2-CA 3.23Å; E556-T641 PolarHBondContact OE2-N 2.76Å; E556-T641 PolarHBondContact OE2-OG1 2.83Å; E556-T641 VanDerWaalsContact OE2-OG1 3.11Å; R557-T641 HydrophobicContact CB-CG2 3.7Å; R557-T641 HydrophobicContact CG-CG2 4.05Å; K560-T641 HydrophobicContact CD-CG2 3.9Å; T641-N688 PolarHBondContact O-ND2 3.31Å
642	E	93.9	Very high	93.5	Very high	155 Å²	155	42.3 Å²	42.3	72%	0.724	21%	0.206	S	C	*	.	S	Bend	trans	-106.9	-32.9	-174	-67.2	-177.7	-177.6	0	0	110.5	E556 H691	E556-E642 PolarHBondContact OE2-N 2.85Å; E642-H691 PolarHBondContact O-CD2 2.99Å
643	S	95.9	Very high	93.3	Very high	12 Å²	12	37 Å²	37	8%	0.084	18%	0.181	C	C	.	.			trans	-68.6	143.8	176.5	-75.4	0	0	0	0	113	E556 N688 R724	E556-S643 WeakPolarHBondContact OE1-CB 3.27Å; E556-S643 PolarHBondContact OE1-N 3.47Å; E556-S643 PolarHBondContact OE1-OG 2.87Å; E556-S643 PolarHBondContact OE2-N 3.4Å; S643-N688 WeakPolarHBondContact O-CB 3.31Å; S643-N688 PolarHBondContact O-ND2 2.85Å; S643-R724 PolarHBondContact OG-NH1 3.01Å
644	P	96.3	Very high	93	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.104	17%	0.17	C	C	.	.	S	Bend	trans	-71.6	-35.2	178	25.1	-33.9	0	0	0	113.6	N688 H691 I694 L717	P644-N688 WeakPolarHBondContact O-CB 3.32Å; P644-N688 PolarHBondContact O-N 2.84Å; P644-H691 HydrophobicContact CB-CB 4.33Å; P644-I694 HydrophobicContact CB-CD1 4.4Å; P644-I694 HydrophobicContact CB-CG1 4.27Å; P644-I694 WeakPolarHBondContact O-CG1 3.18Å; P644-L717 HydrophobicContact CB-CD1 4.06Å; P644-L717 HydrophobicContact CG-CD1 3.89Å
645	C	96.3	Very high	92.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	166.5	-175.2	57.2	0	0	0	0	111.6	F685 E686 I687 L717 R724	C645-F685 HydrophobicContact CB-CE1 3.91Å; C645-F685 HydrophobicContact CB-CE2 4.11Å; C645-F685 HydrophobicContact CB-CZ 3.56Å; C645-E686 CarbonylContact C-O 3.53Å; C645-E686 WeakPolarHBondContact CA-O 3.34Å; C645-E686 VanDerWaalsContact CB-O 3.31Å; C645-E686 WeakPolarHBondContact CB-O 3.38Å; C645-I687 HydrophobicContact CB-CG2 4.39Å; C645-L717 WeakPolarHBondContact SG-CD1 3.39Å; C645-L717 VanDerWaalsContact SG-CG 3.51Å; C645-R724 PolarHBondContact O-NH2 3.04Å
646	A	96.4	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	158.2	173.1	0	0	0	0	0	111.9	P553 F554 L640 E686	P553-A646 HydrophobicContact CB-CB 4.18Å; P553-A646 HydrophobicContact CG-CB 4.07Å; F554-A646 HydrophobicContact CD1-CB 4.36Å; F554-A646 HydrophobicContact CE1-CB 3.7Å; F554-A646 HydrophobicContact CZ-CB 4.26Å; L640-A646 HydrophobicContact CD1-CB 4.49Å; L640-A646 HydrophobicContact CD2-CB 3.97Å; A646-E686 PolarHBondContact N-O 2.83Å; A646-E686 PolarHBondContact O-N 3.21Å
647	L	95.7	Very high	92.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.5	175.1	-80.7	-176.8	0	0	0	111.8	F554 I631 K683 F685 F718 T722 S725 Y727	F554-L647 WeakPolarHBondContact CZ-O 3.46Å; I631-L647 HydrophobicContact CG2-CD2 4.32Å; L647-K683 HydrophobicContact CB-CB 4.35Å; L647-K683 HydrophobicContact CD2-CB 3.92Å; L647-F685 HydrophobicContact CD2-CB 4.22Å; L647-F685 HydrophobicContact CD2-CD2 3.61Å; L647-F685 HydrophobicContact CD2-CG 4.42Å; L647-F685 HydrophobicContact CG-CD2 4.22Å; L647-F718 HydrophobicContact CD1-CD2 4.34Å; L647-F718 HydrophobicContact CD1-CE2 3.72Å; L647-F718 HydrophobicContact CD1-CZ 4.16Å; L647-F718 HydrophobicContact CD2-CD2 4.28Å; L647-F718 HydrophobicContact CD2-CE2 3.88Å; L647-F718 HydrophobicContact CG-CE2 4.3Å; L647-T722 HydrophobicContact CD1-CG2 4.35Å; L647-T722 VanDerWaalsContact CD1-OG1 3.28Å; L647-T722 WeakPolarHBondContact CD1-OG1 3.32Å; L647-S725 PolarHBondContact N-OG 3.19Å; L647-Y727 HydrophobicContact CB-CD2 4.37Å; L647-Y727 HydrophobicContact CB-CE2 4.09Å
648	V	95.6	Very high	92.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130	-176.8	177.5	0	0	0	0	110	F554 K593 E594 T684 E686	F554-V648 HydrophobicContact CD1-CG2 4.33Å; F554-V648 HydrophobicContact CE1-CG2 3.74Å; K593-V648 VanDerWaalsContact C-CG1 3.4Å; E594-V648 HydrophobicContact CG-CG1 3.86Å; V648-T684 PolarHBondContact N-O 2.79Å; V648-T684 PolarHBondContact O-N 2.78Å; V648-E686 HydrophobicContact CB-CG 4.42Å; V648-E686 HydrophobicContact CG2-CG 3.76Å
649	A	94.4	Very high	92.7	Very high	3 Å²	3	30 Å²	30	3%	0.025	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-71.5	150.5	172.2	0	0	0	0	0	111.1	A592 K593 E594 W654 Y727	A592-A649 PolarHBondContact O-N 3.45Å; A592-A649 VanDerWaalsContact O-N 3.07Å; K593-A649 CarbonylContact C-O 3.53Å; K593-A649 WeakPolarHBondContact CA-O 3.15Å; K593-A649 HydrophobicContact CG-CB 4.09Å; E594-A649 PolarHBondContact N-O 3Å; A649-W654 VanDerWaalsContact CB-O 3.26Å; A649-W654 WeakPolarHBondContact CB-O 3.45Å; A649-Y727 WeakPolarHBondContact CB-OH 3.27Å
650	S	92.7	Very high	92.6	Very high	37 Å²	37	33.5 Å²	33.5	26%	0.259	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-59.9	161.8	169.1	77.1	0	0	0	0	110.7	Y652 G653 Q681	S650-Y652 PolarHBondContact O-N 3.47Å; S650-Y652 VanDerWaalsContact O-N 3.16Å; S650-G653 PolarHBondContact O-N 3.22Å; S650-G653 WeakPolarHBondContact OG-CA 3.37Å; S650-G653 PolarHBondContact OG-N 2.85Å; S650-Q681 PolarHBondContact OG-OE1 3.23Å
651	Q	88.4	Confident	92.4	Very high	115 Å²	115	34.4 Å²	34.4	54%	0.537	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.8	-179.8	-174.1	176.4	0.2	0	0	112.9
652	Y	85.5	Confident	92	Very high	183 Å²	183	33.9 Å²	33.9	72%	0.718	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.3	-178.3	-57.1	-75.4	0	0	0	113.7	S650	S650-Y652 PolarHBondContact O-N 3.47Å; S650-Y652 VanDerWaalsContact O-N 3.16Å
653	G	87.4	Confident	91.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	-81.3	170.7	-179.7	0	0	0	0	0	113.3	K593 S650	K593-G653 WeakPolarHBondContact CE-O 3.34Å; K593-G653 PolarHBondContact NZ-O 3.37Å; S650-G653 PolarHBondContact O-N 3.22Å; S650-G653 WeakPolarHBondContact OG-CA 3.37Å; S650-G653 PolarHBondContact OG-N 2.85Å
654	W	89.8	Confident	91.1	Very high	32 Å²	32	34.7 Å²	34.7	12%	0.121	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-75.4	135.6	172.7	-68.8	-11.6	0	0	0	111	A649 M658 E659 M662 T675 Y678	A649-W654 VanDerWaalsContact CB-O 3.26Å; A649-W654 WeakPolarHBondContact CB-O 3.45Å; W654-M658 HydrophobicContact CB-CB 4.22Å; W654-M658 HydrophobicContact CB-CG 4.21Å; W654-M658 HydrophobicContact CD2-CG 4.46Å; W654-M658 HydrophobicContact CG-CB 4.46Å; W654-M658 HydrophobicContact CG-CG 3.92Å; W654-E659 HydrophobicContact CB-CB 4.3Å; W654-E659 HydrophobicContact CE3-CB 4.36Å; W654-E659 HydrophobicContact CE3-CG 4.22Å; W654-M662 HydrophobicContact CD2-CG 4.4Å; W654-M662 HydrophobicContact CE3-CB 4.34Å; W654-M662 HydrophobicContact CE3-CG 4.42Å; W654-M662 HydrophobicContact CH2-CB 3.75Å; W654-M662 HydrophobicContact CH2-CG 3.81Å; W654-M662 HydrophobicContact CH2-SD 4.49Å; W654-M662 HydrophobicContact CZ2-CB 4.3Å; W654-M662 HydrophobicContact CZ2-CE 4.41Å; W654-M662 HydrophobicContact CZ2-CG 3.84Å; W654-M662 HydrophobicContact CZ2-SD 4.3Å; W654-M662 HydrophobicContact CZ3-CB 3.79Å; W654-M662 HydrophobicContact CZ3-CG 4.14Å; W654-T675 HydrophobicContact CH2-CG2 3.83Å; W654-T675 HydrophobicContact CZ3-CG2 4.04Å; W654-Y678 VanDerWaalsContact CD2-CB 3.46Å; W654-Y678 HydrophobicContact CD2-CG 4.23Å; W654-Y678 VanDerWaalsContact CE2-CB 3.47Å; W654-Y678 AromaticContact CE2-CD2 4Å; W654-Y678 AromaticContact CE2-CG 3.8Å; W654-Y678 AromaticContact CZ2-CD2 3.91Å; W654-Y678 HydrophobicContact CZ2-CD2 3.91Å; W654-Y678 HydrophobicContact CZ2-CG 4.13Å; W654-Y678 AromaticContact NE1-CG 3.81Å
655	S	92.7	Very high	90.4	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-68.8	165.5	165.9	67.5	0	0	0	0	109.4	E574 N657 M658 E659	E574-S655 VanDerWaalsContact CD-OG 3.28Å; E574-S655 WeakPolarHBondContact OE1-CB 3.5Å; E574-S655 PolarHBondContact OE1-OG 2.87Å; E574-S655 PolarHBondContact OE2-OG 2.67Å; S655-N657 VanDerWaalsContact C-N 3.26Å; S655-N657 PolarHBondContact O-N 2.81Å; S655-M658 PolarHBondContact O-N 2.95Å; S655-M658 WeakPolarHBondContact OG-CB 3.37Å; S655-M658 PolarHBondContact OG-N 2.97Å; S655-E659 WeakPolarHBondContact O-CB 3.5Å; S655-E659 PolarHBondContact O-N 3.29Å
656	G	92.5	Very high	89.3	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-42.4	173.7	0	0	0	0	0	112.3	E659 R660 G726	G656-E659 PolarHBondContact O-N 2.92Å; G656-R660 WeakPolarHBondContact O-CB 3.16Å; G656-R660 PolarHBondContact O-N 2.92Å; G656-G726 CarbonylContact C-O 3.58Å; G656-G726 VanDerWaalsContact C-O 3.22Å; G656-G726 WeakPolarHBondContact CA-O 3.45Å
657	N	93.1	Very high	88	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.064	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-45.8	176.4	-176.6	65	0	0	0	112.8	A542 E574 S655 R660 I661	A542-N657 HydrophobicContact CB-CB 4.14Å; E574-N657 PolarHBondContact OE2-ND2 2.89Å; S655-N657 VanDerWaalsContact C-N 3.26Å; S655-N657 PolarHBondContact O-N 2.81Å; N657-R660 WeakPolarHBondContact O-CB 3.25Å; N657-R660 PolarHBondContact O-N 2.98Å; N657-R660 PolarHBondContact OD1-NH2 3.43Å; N657-I661 WeakPolarHBondContact ND2-CD1 3.41Å; N657-I661 WeakPolarHBondContact O-CD1 3.29Å; N657-I661 VanDerWaalsContact O-CG1 3.29Å; N657-I661 WeakPolarHBondContact O-CG1 3.24Å; N657-I661 PolarHBondContact O-N 2.93Å
658	M	91.1	Very high	86.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-42.2	177.6	-175.7	53.6	71.8	0	0	111.9	E574 Y575 Q578 W654 S655 R660 I661 M662	E574-M658 HydrophobicContact CB-CE 3.74Å; E574-M658 HydrophobicContact CG-CE 3.62Å; E574-M658 PolarHBondContact OE2-N 3.39Å; Y575-M658 HydrophobicContact CD1-CE 4.37Å; Y575-M658 HydrophobicContact CD2-CE 4.28Å; Y575-M658 HydrophobicContact CE1-CE 4.33Å; Y575-M658 HydrophobicContact CE1-SD 4.28Å; Y575-M658 HydrophobicContact CE2-CE 4.23Å; Y575-M658 HydrophobicContact CE2-SD 4.26Å; Y575-M658 HydrophobicContact CG-CE 4.36Å; Q578-M658 VanDerWaalsContact NE2-CE 3.3Å; W654-M658 HydrophobicContact CB-CB 4.22Å; W654-M658 HydrophobicContact CB-CG 4.21Å; W654-M658 HydrophobicContact CD2-CG 4.46Å; W654-M658 HydrophobicContact CG-CB 4.46Å; W654-M658 HydrophobicContact CG-CG 3.92Å; S655-M658 PolarHBondContact O-N 2.95Å; S655-M658 WeakPolarHBondContact OG-CB 3.37Å; S655-M658 PolarHBondContact OG-N 2.97Å; M658-R660 VanDerWaalsContact C-N 3.3Å; M658-R660 PolarHBondContact O-N 3.45Å; M658-I661 PolarHBondContact O-N 3.43Å; M658-M662 HydrophobicContact CG-CE 4.47Å; M658-M662 HydrophobicContact CG-CG 4.24Å; M658-M662 WeakPolarHBondContact O-CB 3.24Å; M658-M662 VanDerWaalsContact O-CG 3.28Å; M658-M662 WeakPolarHBondContact O-CG 3.48Å; M658-M662 PolarHBondContact O-N 2.75Å; M658-M662 HydrophobicContact SD-CE 3.57Å; M658-M662 VanDerWaalsContact SD-CE 3.57Å; M658-M662 HydrophobicContact SD-CG 3.88Å; M658-M662 HydrophobicContact SD-SD 4.49Å
659	E	90.2	Very high	85	Confident	9 Å²	9	60.8 Å²	60.8	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-42.4	176.9	-167.1	-172.9	115.8	0	0	110.9	W654 S655 G656 K663 K683	W654-E659 HydrophobicContact CB-CB 4.3Å; W654-E659 HydrophobicContact CE3-CB 4.36Å; W654-E659 HydrophobicContact CE3-CG 4.22Å; S655-E659 WeakPolarHBondContact O-CB 3.5Å; S655-E659 PolarHBondContact O-N 3.29Å; G656-E659 PolarHBondContact O-N 2.92Å; E659-K663 HydrophobicContact CG-CD 4.21Å; E659-K663 WeakPolarHBondContact O-CB 3.26Å; E659-K663 WeakPolarHBondContact O-CG 3.41Å; E659-K663 PolarHBondContact O-N 3.22Å; E659-K663 IonicContact OE1-NZ 2.65Å; E659-K663 PolarHBondContact OE1-NZ 2.99Å; E659-K683 IonicContact OE2-NZ 2.79Å; E659-K683 PolarHBondContact OE2-NZ 3.41Å; E659-K683 VanDerWaalsContact OE2-NZ 3.09Å
660	R	89.5	Confident	83.4	Confident	83 Å²	83	64.7 Å²	64.7	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-45.8	175	-178.1	-172.2	64.3	78.3	0.2	112.2	G656 N657 M658 A664	G656-R660 WeakPolarHBondContact O-CB 3.16Å; G656-R660 PolarHBondContact O-N 2.92Å; N657-R660 WeakPolarHBondContact O-CB 3.25Å; N657-R660 PolarHBondContact O-N 2.98Å; N657-R660 PolarHBondContact OD1-NH2 3.43Å; M658-R660 VanDerWaalsContact C-N 3.3Å; M658-R660 PolarHBondContact O-N 3.45Å; R660-A664 WeakPolarHBondContact O-CB 3.49Å; R660-A664 PolarHBondContact O-N 2.88Å
661	I	89.4	Confident	81.8	Confident	19 Å²	19	71.4 Å²	71.4	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-66.4	-47	-179	-64.6	160.1	0	0	0	110.8	P571 Y575 N657 M658 K663 A664 Q665	P571-I661 HydrophobicContact CB-CD1 4.09Å; P571-I661 HydrophobicContact CB-CG1 4.16Å; P571-I661 HydrophobicContact CB-CG2 4.34Å; Y575-I661 HydrophobicContact CE2-CG2 3.82Å; N657-I661 WeakPolarHBondContact ND2-CD1 3.41Å; N657-I661 WeakPolarHBondContact O-CD1 3.29Å; N657-I661 VanDerWaalsContact O-CG1 3.29Å; N657-I661 WeakPolarHBondContact O-CG1 3.24Å; N657-I661 PolarHBondContact O-N 2.93Å; M658-I661 PolarHBondContact O-N 3.43Å; I661-K663 PolarHBondContact O-N 3.03Å; I661-A664 PolarHBondContact O-N 3.33Å; I661-A664 VanDerWaalsContact O-N 3.16Å; I661-Q665 PolarHBondContact O-N 2.83Å
662	M	85.9	Confident	80.9	Confident	26 Å²	26	69.2 Å²	69.2	13%	0.128	37%	0.365	C	S	.	.	H	α-helix	trans	-61.6	-42.9	-179.7	-70.8	-69.2	-174.3	0	0	112.1	Y575 W654 M658 A664 Q665 Q668	Y575-M662 HydrophobicContact CE1-CE 3.44Å; Y575-M662 VanDerWaalsContact CE1-CE 3.44Å; Y575-M662 WeakPolarHBondContact OH-CE 3.27Å; Y575-M662 PolarHBondContact OH-SD 3.22Å; W654-M662 HydrophobicContact CD2-CG 4.4Å; W654-M662 HydrophobicContact CE3-CB 4.34Å; W654-M662 HydrophobicContact CE3-CG 4.42Å; W654-M662 HydrophobicContact CH2-CB 3.75Å; W654-M662 HydrophobicContact CH2-CG 3.81Å; W654-M662 HydrophobicContact CH2-SD 4.49Å; W654-M662 HydrophobicContact CZ2-CB 4.3Å; W654-M662 HydrophobicContact CZ2-CE 4.41Å; W654-M662 HydrophobicContact CZ2-CG 3.84Å; W654-M662 HydrophobicContact CZ2-SD 4.3Å; W654-M662 HydrophobicContact CZ3-CB 3.79Å; W654-M662 HydrophobicContact CZ3-CG 4.14Å; M658-M662 HydrophobicContact CG-CE 4.47Å; M658-M662 HydrophobicContact CG-CG 4.24Å; M658-M662 WeakPolarHBondContact O-CB 3.24Å; M658-M662 VanDerWaalsContact O-CG 3.28Å; M658-M662 WeakPolarHBondContact O-CG 3.48Å; M658-M662 PolarHBondContact O-N 2.75Å; M658-M662 HydrophobicContact SD-CE 3.57Å; M658-M662 VanDerWaalsContact SD-CE 3.57Å; M658-M662 HydrophobicContact SD-CG 3.88Å; M658-M662 HydrophobicContact SD-SD 4.49Å; M662-A664 VanDerWaalsContact C-N 3.26Å; M662-A664 PolarHBondContact O-N 3.48Å; M662-Q665 PolarHBondContact O-N 3.42Å; M662-Q668 PolarHBondContact O-NE2 3Å
663	K	83.6	Confident	80.1	Confident	105 Å²	105	67.4 Å²	67.4	46%	0.457	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-24.8	177.2	-76.5	177.4	173.1	172.2	0	113.6	E659 I661 Q665 L728	E659-K663 HydrophobicContact CG-CD 4.21Å; E659-K663 WeakPolarHBondContact O-CB 3.26Å; E659-K663 WeakPolarHBondContact O-CG 3.41Å; E659-K663 PolarHBondContact O-N 3.22Å; E659-K663 IonicContact OE1-NZ 2.65Å; E659-K663 PolarHBondContact OE1-NZ 2.99Å; I661-K663 PolarHBondContact O-N 3.03Å; K663-Q665 VanDerWaalsContact C-N 3.34Å; K663-L728 HydrophobicContact CD-CD1 4.08Å
664	A	85.9	Confident	79.4	Confident	79 Å²	79	69.8 Å²	69.8	65%	0.653	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.6	179.3	0	0	0	0	0	113.6	R660 I661 M662 A666	R660-A664 WeakPolarHBondContact O-CB 3.49Å; R660-A664 PolarHBondContact O-N 2.88Å; I661-A664 PolarHBondContact O-N 3.33Å; I661-A664 VanDerWaalsContact O-N 3.16Å; M662-A664 VanDerWaalsContact C-N 3.26Å; M662-A664 PolarHBondContact O-N 3.48Å; A664-A666 PolarHBondContact O-N 3.38Å
665	Q	82.6	Confident	78.7	Confident	92 Å²	92	69.1 Å²	69.1	43%	0.43	38%	0.382	S	S	.	.			trans	-81.8	111.6	-175.2	-170.4	175.1	1.2	0	0	111.9	I661 M662 K663 Y667 Q668	I661-Q665 PolarHBondContact O-N 2.83Å; M662-Q665 PolarHBondContact O-N 3.42Å; K663-Q665 VanDerWaalsContact C-N 3.34Å; Q665-Y667 PolarHBondContact O-N 3.1Å; Q665-Q668 HydrophobicContact CB-CG 4.27Å; Q665-Q668 HydrophobicContact CG-CG 4.37Å; Q665-Q668 PolarHBondContact O-N 3.23Å
666	A	73.2	Confident	77.9	Confident	95 Å²	95	73.7 Å²	73.7	79%	0.785	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.5	-173.5	0	0	0	0	0	115.4	A664 Q668	A664-A666 PolarHBondContact O-N 3.38Å; A666-Q668 VanDerWaalsContact C-N 3.28Å; A666-Q668 PolarHBondContact O-N 3.23Å
667	Y	69.6	Low	77.4	Confident	217 Å²	217	80.3 Å²	80.3	85%	0.851	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	2	-177	-62.1	-69.4	0	0	0	114.3	Q665 T669	Q665-Y667 PolarHBondContact O-N 3.1Å; Y667-T669 PolarHBondContact O-N 3.07Å
668	Q	67.1	Low	76.7	Confident	54 Å²	54	83.7 Å²	83.7	25%	0.252	44%	0.444	S	S	.	.	S	Bend	trans	-70.3	125.4	172.4	-68.6	-167.8	3.8	0	0	109	M662 Q665 A666 G670 T675	M662-Q668 PolarHBondContact O-NE2 3Å; Q665-Q668 HydrophobicContact CB-CG 4.27Å; Q665-Q668 HydrophobicContact CG-CG 4.37Å; Q665-Q668 PolarHBondContact O-N 3.23Å; A666-Q668 VanDerWaalsContact C-N 3.28Å; A666-Q668 PolarHBondContact O-N 3.23Å; Q668-G670 PolarHBondContact O-N 3.3Å; Q668-T675 PolarHBondContact OE1-OG1 3.49Å
669	T	61.2	Low	76	Confident	110 Å²	110	84.8 Å²	84.8	68%	0.675	45%	0.453	S	S	*	.			trans	-58.8	130.9	168.7	56	0	0	0	0	107.3	Y667 K671 D672	Y667-T669 PolarHBondContact O-N 3.07Å; T669-K671 PolarHBondContact O-N 2.82Å; T669-D672 PolarHBondContact O-N 3.18Å
670	G	59.7	Low	75.5	Confident	85 Å²	85	88.4 Å²	88.4	88%	0.876	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	13.1	-163.9	0	0	0	0	0	117.6	Q668	Q668-G670 PolarHBondContact O-N 3.3Å
671	K	60.2	Low	75.3	Confident	177 Å²	177	86.4 Å²	86.4	77%	0.77	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.7	39.2	179.4	-65.3	-173.6	178.7	172.2	0	113.5	T669 I673	T669-K671 PolarHBondContact O-N 2.82Å; K671-I673 PolarHBondContact O-N 3.16Å; K671-I673 VanDerWaalsContact O-N 3.09Å
672	D	69	Low	75.2	Confident	70 Å²	70	89.5 Å²	89.5	37%	0.374	49%	0.486	S	S	.	.			trans	-63.2	116.8	171.4	-166.8	-24.3	0	0	0	110.1	T669 S674 T675 N676	T669-D672 PolarHBondContact O-N 3.18Å; D672-S674 PolarHBondContact O-N 3.21Å; D672-S674 WeakPolarHBondContact OD1-CB 3.41Å; D672-S674 PolarHBondContact OD1-N 2.87Å; D672-S674 PolarHBondContact OD1-OG 3.01Å; D672-S674 PolarHBondContact OD2-OG 3.09Å; D672-T675 PolarHBondContact O-N 2.77Å; D672-N676 PolarHBondContact O-N 2.99Å
673	I	67.6	Low	75.5	Confident	144 Å²	144	89.8 Å²	89.8	74%	0.738	49%	0.487	S	S	*	.	H	α-helix	trans	-55.9	-36.2	-179.8	-61.2	171	0	0	0	109.9	K671 Y677	K671-I673 PolarHBondContact O-N 3.16Å; K671-I673 VanDerWaalsContact O-N 3.09Å; I673-Y677 WeakPolarHBondContact O-CB 3.3Å; I673-Y677 PolarHBondContact O-N 3.19Å
674	S	74.5	Confident	76.1	Confident	52 Å²	52	85 Å²	85	36%	0.364	47%	0.466	S	S	.	.	H	α-helix	trans	-67.2	-45.4	-179.5	71.3	0	0	0	0	111.6	D672 N676 Y677 Y678	D672-S674 PolarHBondContact O-N 3.21Å; D672-S674 WeakPolarHBondContact OD1-CB 3.41Å; D672-S674 PolarHBondContact OD1-N 2.87Å; D672-S674 PolarHBondContact OD1-OG 3.01Å; D672-S674 PolarHBondContact OD2-OG 3.09Å; S674-N676 PolarHBondContact O-N 3.49Å; S674-Y677 WeakPolarHBondContact O-CB 3.39Å; S674-Y677 PolarHBondContact O-N 3.06Å; S674-Y678 WeakPolarHBondContact O-CD2 3.38Å; S674-Y678 PolarHBondContact O-N 2.82Å
675	T	74.3	Confident	76.6	Confident	18 Å²	18	81.3 Å²	81.3	11%	0.11	44%	0.436	C	S	.	.	H	α-helix	trans	-59	-45.9	176.6	-63.4	0	0	0	0	111.6	W654 Q668 D672 Y677 Y678 A679	W654-T675 HydrophobicContact CH2-CG2 3.83Å; W654-T675 HydrophobicContact CZ3-CG2 4.04Å; Q668-T675 PolarHBondContact OE1-OG1 3.49Å; D672-T675 PolarHBondContact O-N 2.77Å; T675-Y677 PolarHBondContact O-N 3.44Å; T675-Y678 PolarHBondContact O-N 3.26Å; T675-A679 VanDerWaalsContact O-CB 3.26Å; T675-A679 WeakPolarHBondContact O-CB 3.5Å; T675-A679 PolarHBondContact O-N 2.93Å
676	N	76.3	Confident	77.3	Confident	98 Å²	98	77.6 Å²	77.6	52%	0.524	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-39	177.2	-75.8	-25.6	0	0	0	112.3	D672 S674 S680	D672-N676 PolarHBondContact O-N 2.99Å; S674-N676 PolarHBondContact O-N 3.49Å; N676-S680 VanDerWaalsContact O-CB 3.25Å; N676-S680 WeakPolarHBondContact O-CB 3.45Å; N676-S680 PolarHBondContact O-N 2.82Å; N676-S680 PolarHBondContact O-OG 3.49Å
677	Y	81	Confident	78.4	Confident	142 Å²	142	73.1 Å²	73.1	56%	0.557	38%	0.381	S	S	*	.	H	α-helix	trans	-61.4	-48.4	176.5	176	-100.3	0	0	0	111.9	I673 S674 T675 S680 Q681	I673-Y677 WeakPolarHBondContact O-CB 3.3Å; I673-Y677 PolarHBondContact O-N 3.19Å; S674-Y677 WeakPolarHBondContact O-CB 3.39Å; S674-Y677 PolarHBondContact O-N 3.06Å; T675-Y677 PolarHBondContact O-N 3.44Å; Y677-S680 PolarHBondContact O-OG 2.9Å; Y677-S680 VanDerWaalsContact O-OG 3.05Å; Y677-Q681 WeakPolarHBondContact O-CG 3.44Å; Y677-Q681 PolarHBondContact O-N 2.63Å
678	Y	78.8	Confident	79.6	Confident	83 Å²	83	62.9 Å²	62.9	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-70.6	-38.7	-179.8	-70.8	-70.5	0	0	0	112.9	W654 S674 T675 S680 Q681	W654-Y678 VanDerWaalsContact CD2-CB 3.46Å; W654-Y678 HydrophobicContact CD2-CG 4.23Å; W654-Y678 VanDerWaalsContact CE2-CB 3.47Å; W654-Y678 AromaticContact CE2-CD2 4Å; W654-Y678 AromaticContact CE2-CG 3.8Å; W654-Y678 AromaticContact CZ2-CD2 3.91Å; W654-Y678 HydrophobicContact CZ2-CD2 3.91Å; W654-Y678 HydrophobicContact CZ2-CG 4.13Å; W654-Y678 AromaticContact NE1-CG 3.81Å; S674-Y678 WeakPolarHBondContact O-CD2 3.38Å; S674-Y678 PolarHBondContact O-N 2.82Å; T675-Y678 PolarHBondContact O-N 3.26Å; Y678-S680 VanDerWaalsContact C-N 3.32Å; Y678-S680 PolarHBondContact O-N 2.93Å; Y678-Q681 PolarHBondContact O-N 3.12Å
679	A	77.4	Confident	80.9	Confident	22 Å²	22	60.9 Å²	60.9	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-35	177.3	0	0	0	0	0	112.7	T675 Q681 K683	T675-A679 VanDerWaalsContact O-CB 3.26Å; T675-A679 WeakPolarHBondContact O-CB 3.5Å; T675-A679 PolarHBondContact O-N 2.93Å; A679-Q681 VanDerWaalsContact C-N 3.32Å; A679-Q681 PolarHBondContact O-N 3.24Å; A679-K683 PolarHBondContact O-NZ 2.82Å
680	S	79.4	Confident	82.4	Confident	86 Å²	86	64.4 Å²	64.4	60%	0.601	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-6.7	179.5	61.3	0	0	0	0	114.6	N676 Y677 Y678 K682	N676-S680 VanDerWaalsContact O-CB 3.25Å; N676-S680 WeakPolarHBondContact O-CB 3.45Å; N676-S680 PolarHBondContact O-N 2.82Å; N676-S680 PolarHBondContact O-OG 3.49Å; Y677-S680 PolarHBondContact O-OG 2.9Å; Y677-S680 VanDerWaalsContact O-OG 3.05Å; Y678-S680 VanDerWaalsContact C-N 3.32Å; Y678-S680 PolarHBondContact O-N 2.93Å; S680-K682 PolarHBondContact O-N 3.3Å; S680-K682 VanDerWaalsContact O-N 3.14Å
681	Q	85	Confident	84.1	Confident	40 Å²	40	62.1 Å²	62.1	19%	0.187	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-59.1	122.6	175.9	-70.4	-168.7	2.7	0	0	110.2	S650 Y677 Y678 A679 K683	S650-Q681 PolarHBondContact OG-OE1 3.23Å; Y677-Q681 WeakPolarHBondContact O-CG 3.44Å; Y677-Q681 PolarHBondContact O-N 2.63Å; Y678-Q681 PolarHBondContact O-N 3.12Å; A679-Q681 VanDerWaalsContact C-N 3.32Å; A679-Q681 PolarHBondContact O-N 3.24Å; Q681-K683 WeakPolarHBondContact O-CD 3.32Å; Q681-K683 VanDerWaalsContact O-CE 3.22Å; Q681-K683 WeakPolarHBondContact O-CE 3.11Å; Q681-K683 PolarHBondContact O-NZ 2.85Å; Q681-K683 VanDerWaalsContact O-NZ 3.09Å
682	K	86.9	Confident	85.8	Confident	84 Å²	84	58.2 Å²	58.2	37%	0.365	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67.9	142.8	173	-66.1	-179.3	-179.2	178.3	0	109.3	D629 E632 S680	D629-K682 WeakPolarHBondContact O-CE 3.29Å; D629-K682 IonicContact OD1-NZ 2.63Å; D629-K682 PolarHBondContact OD1-NZ 3.1Å; D629-K682 VanDerWaalsContact OD1-NZ 3.09Å; E632-K682 HydrophobicContact CB-CB 3.88Å; S680-K682 PolarHBondContact O-N 3.3Å; S680-K682 VanDerWaalsContact O-N 3.14Å
683	K	93.4	Very high	87	Confident	33 Å²	33	59.5 Å²	59.5	14%	0.143	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	157.2	-173.8	-68.9	85.7	-178	172.7	0	110.6	E632 L647 E659 A679 Q681 Y727	E632-K683 PolarHBondContact N-O 3.45Å; L647-K683 HydrophobicContact CB-CB 4.35Å; L647-K683 HydrophobicContact CD2-CB 3.92Å; E659-K683 IonicContact OE2-NZ 2.79Å; E659-K683 PolarHBondContact OE2-NZ 3.41Å; E659-K683 VanDerWaalsContact OE2-NZ 3.09Å; A679-K683 PolarHBondContact O-NZ 2.82Å; Q681-K683 WeakPolarHBondContact O-CD 3.32Å; Q681-K683 VanDerWaalsContact O-CE 3.22Å; Q681-K683 WeakPolarHBondContact O-CE 3.11Å; Q681-K683 PolarHBondContact O-NZ 2.85Å; Q681-K683 VanDerWaalsContact O-NZ 3.09Å; K683-Y727 HydrophobicContact CD-CE1 4.26Å; K683-Y727 HydrophobicContact CG-CE1 4.27Å; K683-Y727 HydrophobicContact CG-CE2 4.43Å
684	T	95.5	Very high	88.3	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.4	174.6	-65.5	0	0	0	0	109.4	E594 K633 V635 V648 E686	E594-T684 PolarHBondContact OE1-OG1 2.86Å; K633-T684 HydrophobicContact CD-CG2 4.42Å; K633-T684 WeakPolarHBondContact CE-OG1 3.48Å; K633-T684 HydrophobicContact CG-CG2 3.91Å; V635-T684 HydrophobicContact CG2-CG2 3.67Å; V648-T684 PolarHBondContact N-O 2.79Å; V648-T684 PolarHBondContact O-N 2.78Å; T684-E686 HydrophobicContact CG2-CG 4.24Å
685	F	97	Very high	89.3	Confident	1 Å²	1	57 Å²	57	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106	176.2	-163.9	-106.9	0	0	0	110	M622 L627 I631 K633 A634 V635 C645 L647 I687 L717 F718 A721	M622-F685 HydrophobicContact CE-CE1 4.38Å; M622-F685 HydrophobicContact SD-CD1 3.99Å; M622-F685 HydrophobicContact SD-CE1 3.86Å; L627-F685 HydrophobicContact CD1-CD1 4.26Å; L627-F685 HydrophobicContact CD1-CD2 4.47Å; L627-F685 HydrophobicContact CD1-CE1 4.27Å; L627-F685 HydrophobicContact CD1-CG 4.36Å; L627-F685 HydrophobicContact CD1-CZ 4.4Å; I631-F685 HydrophobicContact CB-CB 4.35Å; I631-F685 HydrophobicContact CD1-CB 3.84Å; I631-F685 HydrophobicContact CG2-CB 3.93Å; I631-F685 HydrophobicContact CG2-CD2 4.5Å; I631-F685 HydrophobicContact CG2-CG 4.47Å; K633-F685 PolarHBondContact O-N 2.88Å; A634-F685 CarbonylContact C-O 3.53Å; A634-F685 VanDerWaalsContact CA-O 3.27Å; A634-F685 WeakPolarHBondContact CA-O 3.34Å; V635-F685 PolarHBondContact N-O 2.84Å; C645-F685 HydrophobicContact CB-CE1 3.91Å; C645-F685 HydrophobicContact CB-CE2 4.11Å; C645-F685 HydrophobicContact CB-CZ 3.56Å; L647-F685 HydrophobicContact CD2-CB 4.22Å; L647-F685 HydrophobicContact CD2-CD2 3.61Å; L647-F685 HydrophobicContact CD2-CG 4.42Å; L647-F685 HydrophobicContact CG-CD2 4.22Å; F685-I687 HydrophobicContact CD1-CG2 3.69Å; F685-I687 HydrophobicContact CE1-CG2 3.6Å; F685-L717 HydrophobicContact CZ-CD2 4.47Å; F685-L717 HydrophobicContact CZ-CG 4.33Å; F685-F718 AromaticContact CD2-CD2 3.89Å; F685-F718 HydrophobicContact CD2-CD2 3.89Å; F685-F718 HydrophobicContact CE2-CB 4.13Å; F685-F718 AromaticContact CE2-CD2 3.95Å; F685-F718 HydrophobicContact CE2-CD2 3.95Å; F685-F718 HydrophobicContact CZ-CB 4.48Å; F685-A721 HydrophobicContact CE2-CB 3.8Å
686	E	96.2	Very high	90.3	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.065	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.4	177	-65.3	-162	-179.1	0	0	110.4	V635 S637 R639 C645 A646 V648 T684	V635-E686 HydrophobicContact CG2-CG 3.81Å; V635-E686 CarbonylContact O-C 3.57Å; V635-E686 WeakPolarHBondContact O-CA 3.17Å; S637-E686 WeakPolarHBondContact CB-OE2 3.42Å; S637-E686 PolarHBondContact OG-OE2 3.18Å; R639-E686 IonicContact CZ-OE1 3.51Å; R639-E686 VanDerWaalsContact CZ-OE1 3.32Å; R639-E686 IonicContact CZ-OE2 3.04Å; R639-E686 IonicContact NE-OE1 3.2Å; R639-E686 PolarHBondContact NE-OE1 2.85Å; R639-E686 IonicContact NE-OE2 2.67Å; R639-E686 PolarHBondContact NE-OE2 3.35Å; R639-E686 IonicContact NH2-OE1 3.8Å; R639-E686 PolarHBondContact NH2-OE1 3.25Å; C645-E686 CarbonylContact C-O 3.53Å; C645-E686 WeakPolarHBondContact CA-O 3.34Å; C645-E686 VanDerWaalsContact CB-O 3.31Å; C645-E686 WeakPolarHBondContact CB-O 3.38Å; A646-E686 PolarHBondContact N-O 2.83Å; A646-E686 PolarHBondContact O-N 3.21Å; V648-E686 HydrophobicContact CB-CG 4.42Å; V648-E686 HydrophobicContact CG2-CG 3.76Å; T684-E686 HydrophobicContact CG2-CG 4.24Å
687	I	96.5	Very high	91.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	150.1	177.8	63.9	167.8	0	0	0	112.6	F615 L618 L619 M622 V635 S637 C645 F685 P689 I694	F615-I687 HydrophobicContact CD1-CD1 4.2Å; L618-I687 HydrophobicContact CD2-CD1 4.18Å; L619-I687 HydrophobicContact CD2-CD1 3.45Å; L619-I687 VanDerWaalsContact CD2-CD1 3.45Å; L619-I687 HydrophobicContact CD2-CG1 3.83Å; L619-I687 HydrophobicContact CG-CD1 4.48Å; M622-I687 HydrophobicContact CE-CG2 4.25Å; M622-I687 HydrophobicContact SD-CG2 3.92Å; V635-I687 PolarHBondContact O-N 3.25Å; S637-I687 VanDerWaalsContact CB-O 3.31Å; S637-I687 WeakPolarHBondContact CB-O 3.22Å; S637-I687 PolarHBondContact N-O 2.8Å; C645-I687 HydrophobicContact CB-CG2 4.39Å; F685-I687 HydrophobicContact CD1-CG2 3.69Å; F685-I687 HydrophobicContact CE1-CG2 3.6Å; I687-P689 WeakPolarHBondContact O-CD 3.4Å; I687-I694 HydrophobicContact CB-CD1 4.23Å; I687-I694 HydrophobicContact CB-CG2 4.27Å; I687-I694 HydrophobicContact CD1-CG2 3.82Å; I687-I694 HydrophobicContact CG1-CG2 4.43Å; I687-I694 HydrophobicContact CG2-CD1 4.26Å
688	N	95.9	Very high	91.8	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	23%	0.234	C	C	.	.			trans	-97.5	105.7	173.9	-178.8	-1.7	0	0	0	110.6	L640 T641 S643 P644 R690 H691 I694	L640-N688 HydrophobicContact CB-CB 4.04Å; L640-N688 HydrophobicContact CD1-CB 4.08Å; T641-N688 PolarHBondContact O-ND2 3.31Å; S643-N688 WeakPolarHBondContact O-CB 3.31Å; S643-N688 PolarHBondContact O-ND2 2.85Å; P644-N688 WeakPolarHBondContact O-CB 3.32Å; P644-N688 PolarHBondContact O-N 2.84Å; N688-R690 PolarHBondContact O-N 2.95Å; N688-R690 WeakPolarHBondContact OD1-CB 3.48Å; N688-R690 PolarHBondContact OD1-N 3.2Å; N688-R690 VanDerWaalsContact OD1-N 3.11Å; N688-H691 HydrophobicContact CB-CB 4.13Å; N688-H691 WeakPolarHBondContact O-CB 3.33Å; N688-H691 PolarHBondContact O-N 3.28Å; N688-I694 WeakPolarHBondContact O-CB 3.36Å; N688-I694 WeakPolarHBondContact O-CG1 3.38Å
689	P	94.2	Very high	92.5	Very high	12 Å²	12	50.1 Å²	50.1	8%	0.078	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10	-174.6	31.4	-37.4	0	0	0	113	V611 F615 V636 I687 R695	V611-P689 HydrophobicContact CG1-CB 3.5Å; V611-P689 VanDerWaalsContact CG1-CB 3.5Å; V611-P689 HydrophobicContact CG1-CG 3.57Å; F615-P689 HydrophobicContact CD1-CB 4.38Å; F615-P689 HydrophobicContact CD2-CB 3.82Å; F615-P689 HydrophobicContact CE1-CB 4.16Å; F615-P689 HydrophobicContact CE2-CB 3.53Å; F615-P689 HydrophobicContact CG-CB 4.23Å; F615-P689 HydrophobicContact CZ-CB 3.71Å; F615-P689 WeakPolarHBondContact CZ-O 3.36Å; V636-P689 HydrophobicContact CG1-CB 4.42Å; V636-P689 HydrophobicContact CG1-CG 3.67Å; I687-P689 WeakPolarHBondContact O-CD 3.4Å; P689-R695 WeakPolarHBondContact O-CG 3.41Å; P689-R695 PolarHBondContact O-NE 3.16Å
690	R	92.2	Very high	93.3	Very high	183 Å²	183	53.1 Å²	53.1	69%	0.691	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-13.1	176.4	-61.5	-176.3	176.6	-175.9	-1.3	112.6	N688	N688-R690 PolarHBondContact O-N 2.95Å; N688-R690 WeakPolarHBondContact OD1-CB 3.48Å; N688-R690 PolarHBondContact OD1-N 3.2Å; N688-R690 VanDerWaalsContact OD1-N 3.11Å
691	H	96.1	Very high	93.9	Very high	37 Å²	37	49.3 Å²	49.3	17%	0.171	22%	0.22	C	C	.	.	S	Bend	trans	-73.5	134.5	-178.3	-165.3	-83.3	0	0	0	110.8	E642 P644 N688 L693 I694 R695	E642-H691 PolarHBondContact O-CD2 2.99Å; P644-H691 HydrophobicContact CB-CB 4.33Å; N688-H691 HydrophobicContact CB-CB 4.13Å; N688-H691 WeakPolarHBondContact O-CB 3.33Å; N688-H691 PolarHBondContact O-N 3.28Å; H691-L693 VanDerWaalsContact C-N 3.32Å; H691-L693 WeakPolarHBondContact ND1-CB 3.45Å; H691-L693 PolarHBondContact ND1-N 3.25Å; H691-L693 PolarHBondContact O-N 3.36Å; H691-I694 HydrophobicContact CB-CB 4.38Å; H691-I694 HydrophobicContact CB-CG1 4Å; H691-I694 PolarHBondContact O-N 3.16Å; H691-I694 VanDerWaalsContact O-N 3.11Å; H691-R695 PolarHBondContact O-N 3.21Å; H691-R695 VanDerWaalsContact O-N 3.17Å
692	P	95.5	Very high	94.2	Very high	96 Å²	96	53.7 Å²	53.7	62%	0.623	24%	0.239	S	C	*	.	H	α-helix	trans	-54.1	-44.1	-178.9	-28.5	35.5	0	0	0	113.7	I694 R695 D696	P692-I694 VanDerWaalsContact C-N 3.34Å; P692-I694 PolarHBondContact O-N 3.3Å; P692-R695 PolarHBondContact O-N 2.88Å; P692-D696 PolarHBondContact O-N 3.13Å
693	L	93.9	Very high	94.5	Very high	97 Å²	97	56.5 Å²	56.5	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-57.2	-44.2	177.4	-64	174.4	0	0	0	112.6	H691 R695 D696 M697	H691-L693 VanDerWaalsContact C-N 3.32Å; H691-L693 WeakPolarHBondContact ND1-CB 3.45Å; H691-L693 PolarHBondContact ND1-N 3.25Å; H691-L693 PolarHBondContact O-N 3.36Å; L693-R695 PolarHBondContact O-N 3.25Å; L693-D696 PolarHBondContact O-N 3.09Å; L693-M697 WeakPolarHBondContact O-CB 3.46Å; L693-M697 VanDerWaalsContact O-CG 3.27Å; L693-M697 WeakPolarHBondContact O-CG 3.21Å; L693-M697 PolarHBondContact O-N 3.39Å
694	I	95.7	Very high	94.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.5	-36.6	-176.6	-59.5	-61	0	0	0	111	F615 L618 P644 I687 N688 H691 P692 L698 L717	F615-I694 HydrophobicContact CD1-CG2 4.14Å; F615-I694 HydrophobicContact CE1-CG2 3.75Å; L618-I694 HydrophobicContact CD2-CG2 3.99Å; P644-I694 HydrophobicContact CB-CD1 4.4Å; P644-I694 HydrophobicContact CB-CG1 4.27Å; P644-I694 WeakPolarHBondContact O-CG1 3.18Å; I687-I694 HydrophobicContact CB-CD1 4.23Å; I687-I694 HydrophobicContact CB-CG2 4.27Å; I687-I694 HydrophobicContact CD1-CG2 3.82Å; I687-I694 HydrophobicContact CG1-CG2 4.43Å; I687-I694 HydrophobicContact CG2-CD1 4.26Å; N688-I694 WeakPolarHBondContact O-CB 3.36Å; N688-I694 WeakPolarHBondContact O-CG1 3.38Å; H691-I694 HydrophobicContact CB-CB 4.38Å; H691-I694 HydrophobicContact CB-CG1 4Å; H691-I694 PolarHBondContact O-N 3.16Å; H691-I694 VanDerWaalsContact O-N 3.11Å; P692-I694 VanDerWaalsContact C-N 3.34Å; P692-I694 PolarHBondContact O-N 3.3Å; I694-L698 PolarHBondContact O-N 2.86Å; I694-L698 VanDerWaalsContact O-N 3.11Å; I694-L717 HydrophobicContact CD1-CD2 3.77Å
695	R	94.9	Very high	94.2	Very high	142 Å²	142	64.2 Å²	64.2	54%	0.536	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-41.9	174	-71.6	178.9	175.2	-176.6	-7.1	112.5	F615 P689 H691 P692 L693 L698 R699	F615-R695 HydrophobicContact CZ-CG 4.1Å; P689-R695 WeakPolarHBondContact O-CG 3.41Å; P689-R695 PolarHBondContact O-NE 3.16Å; H691-R695 PolarHBondContact O-N 3.21Å; H691-R695 VanDerWaalsContact O-N 3.17Å; P692-R695 PolarHBondContact O-N 2.88Å; L693-R695 PolarHBondContact O-N 3.25Å; R695-L698 PolarHBondContact O-N 3.39Å; R695-R699 PolarHBondContact O-N 2.96Å; R695-R699 VanDerWaalsContact O-N 3.08Å
696	D	94.2	Very high	93.9	Very high	54 Å²	54	69 Å²	69	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-66.9	-40.8	179	-152.2	78.2	0	0	0	111	P692 L693 L698 R699 R700	P692-D696 PolarHBondContact O-N 3.13Å; L693-D696 PolarHBondContact O-N 3.09Å; D696-L698 PolarHBondContact O-N 3.11Å; D696-R699 WeakPolarHBondContact O-CB 3.32Å; D696-R699 PolarHBondContact O-N 2.65Å; D696-R699 VanDerWaalsContact O-N 3.14Å; D696-R699 IonicContact OD1-CZ 3.71Å; D696-R699 IonicContact OD1-NH1 2.78Å; D696-R699 PolarHBondContact OD1-NH1 2.94Å; D696-R699 IonicContact OD1-NH2 3.97Å; D696-R699 PolarHBondContact OD1-NH2 3.01Å; D696-R699 IonicContact OD2-NH2 3.06Å; D696-R699 PolarHBondContact OD2-NH2 3.29Å; D696-R700 WeakPolarHBondContact O-CG 3.5Å; D696-R700 PolarHBondContact O-N 3.15Å; D696-R700 IonicContact OD2-NE 2.98Å; D696-R700 PolarHBondContact OD2-NE 2.91Å
697	M	93.8	Very high	93.4	Very high	12 Å²	12	70 Å²	70	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-47.7	171.7	-73.8	-179	78.4	0	0	111.5	L618 W621 M622 L693 R699 R700 I701 V710 A714 L717	L618-M697 HydrophobicContact CD1-CB 4.22Å; L618-M697 HydrophobicContact CD2-CB 4.36Å; W621-M697 HydrophobicContact CH2-CE 4.48Å; W621-M697 HydrophobicContact CZ3-CE 3.98Å; M622-M697 HydrophobicContact CE-CE 3.77Å; M622-M697 HydrophobicContact CE-SD 4.16Å; L693-M697 WeakPolarHBondContact O-CB 3.46Å; L693-M697 VanDerWaalsContact O-CG 3.27Å; L693-M697 WeakPolarHBondContact O-CG 3.21Å; L693-M697 PolarHBondContact O-N 3.39Å; M697-R699 VanDerWaalsContact C-N 3.27Å; M697-R699 PolarHBondContact O-N 3.18Å; M697-R700 PolarHBondContact O-N 2.88Å; M697-I701 WeakPolarHBondContact O-CG1 3.32Å; M697-I701 WeakPolarHBondContact O-CG2 3.47Å; M697-I701 PolarHBondContact O-N 2.9Å; M697-V710 HydrophobicContact CE-CG1 4.31Å; M697-A714 HydrophobicContact CE-CB 3.56Å; M697-L717 HydrophobicContact SD-CD2 3.91Å
698	L	94.9	Very high	92.7	Very high	7 Å²	7	77.9 Å²	77.9	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-58	-37.9	176.2	179	65.4	0	0	0	112.3	E614 F615 L618 I694 R695 D696 I701 K702	E614-L698 HydrophobicContact CG-CD2 4.28Å; F615-L698 HydrophobicContact CD1-CB 4.48Å; F615-L698 HydrophobicContact CD1-CD2 3.9Å; F615-L698 HydrophobicContact CD2-CD2 4.33Å; F615-L698 HydrophobicContact CE1-CB 4.16Å; F615-L698 HydrophobicContact CE1-CD2 3.74Å; F615-L698 HydrophobicContact CE2-CD2 4.22Å; F615-L698 HydrophobicContact CG-CD2 4.19Å; F615-L698 HydrophobicContact CZ-CD2 3.93Å; L618-L698 HydrophobicContact CB-CD1 3.79Å; L618-L698 HydrophobicContact CD2-CB 4.17Å; I694-L698 PolarHBondContact O-N 2.86Å; I694-L698 VanDerWaalsContact O-N 3.11Å; R695-L698 PolarHBondContact O-N 3.39Å; D696-L698 PolarHBondContact O-N 3.11Å; L698-I701 HydrophobicContact CD1-CD1 4.27Å; L698-I701 WeakPolarHBondContact O-CG1 3.25Å; L698-K702 VanDerWaalsContact O-CG 3.32Å; L698-K702 WeakPolarHBondContact O-CG 3.41Å; L698-K702 PolarHBondContact O-N 3.42Å
699	R	94.9	Very high	92.1	Very high	124 Å²	124	81.4 Å²	81.4	47%	0.468	38%	0.379	S	S	.	.	H	α-helix	trans	-65.8	-49.9	176.3	-172.5	-175.1	71.6	-128	-11.3	110.8	R695 D696 M697 K702 E703	R695-R699 PolarHBondContact O-N 2.96Å; R695-R699 VanDerWaalsContact O-N 3.08Å; D696-R699 WeakPolarHBondContact O-CB 3.32Å; D696-R699 PolarHBondContact O-N 2.65Å; D696-R699 VanDerWaalsContact O-N 3.14Å; D696-R699 IonicContact OD1-CZ 3.71Å; D696-R699 IonicContact OD1-NH1 2.78Å; D696-R699 PolarHBondContact OD1-NH1 2.94Å; D696-R699 IonicContact OD1-NH2 3.97Å; D696-R699 PolarHBondContact OD1-NH2 3.01Å; D696-R699 IonicContact OD2-NH2 3.06Å; D696-R699 PolarHBondContact OD2-NH2 3.29Å; M697-R699 VanDerWaalsContact C-N 3.27Å; M697-R699 PolarHBondContact O-N 3.18Å; R699-K702 WeakPolarHBondContact O-CB 3.45Å; R699-K702 PolarHBondContact O-N 2.91Å; R699-E703 IonicContact NE-OE1 3.26Å; R699-E703 PolarHBondContact O-N 3.21Å
700	R	93	Very high	91.8	Very high	86 Å²	86	80.9 Å²	80.9	33%	0.325	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-41.2	-176.1	-68.8	178.6	174.2	-112	1.8	112.8	D696 M697 K702 E703 D704 D707 V710	D696-R700 WeakPolarHBondContact O-CG 3.5Å; D696-R700 PolarHBondContact O-N 3.15Å; D696-R700 IonicContact OD2-NE 2.98Å; D696-R700 PolarHBondContact OD2-NE 2.91Å; M697-R700 PolarHBondContact O-N 2.88Å; R700-K702 PolarHBondContact O-N 3.18Å; R700-E703 WeakPolarHBondContact O-CA 3.32Å; R700-E703 WeakPolarHBondContact O-CB 3.42Å; R700-E703 PolarHBondContact O-N 2.7Å; R700-D704 PolarHBondContact O-N 3.39Å; R700-D707 IonicContact NH1-OD2 2.84Å; R700-V710 HydrophobicContact CB-CG2 3.68Å; R700-V710 HydrophobicContact CG-CG2 4.19Å
701	I	92.8	Very high	91.7	Very high	6 Å²	6	74.1 Å²	74.1	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-21.5	177.3	65.1	148	0	0	0	113.2	P617 L618 W621 M697 L698 E703 E705 V710	P617-I701 HydrophobicContact CB-CD1 4.46Å; L618-I701 VanDerWaalsContact CA-CD1 3.45Å; L618-I701 HydrophobicContact CB-CD1 3.81Å; L618-I701 HydrophobicContact CD1-CD1 3.78Å; L618-I701 HydrophobicContact CD1-CG1 4.21Å; L618-I701 HydrophobicContact CD1-CG2 4.25Å; L618-I701 HydrophobicContact CG-CD1 4.44Å; W621-I701 HydrophobicContact CB-CD1 4.15Å; W621-I701 HydrophobicContact CD2-CG2 3.74Å; W621-I701 HydrophobicContact CE3-CG2 3.99Å; W621-I701 HydrophobicContact CG-CD1 4.41Å; W621-I701 HydrophobicContact CG-CG2 4.22Å; W621-I701 HydrophobicContact CH2-CG2 4.25Å; W621-I701 HydrophobicContact CZ2-CG2 3.99Å; W621-I701 HydrophobicContact CZ3-CG2 4.24Å; M697-I701 WeakPolarHBondContact O-CG1 3.32Å; M697-I701 WeakPolarHBondContact O-CG2 3.47Å; M697-I701 PolarHBondContact O-N 2.9Å; L698-I701 HydrophobicContact CD1-CD1 4.27Å; L698-I701 WeakPolarHBondContact O-CG1 3.25Å; I701-E703 VanDerWaalsContact C-N 3.34Å; I701-E705 VanDerWaalsContact O-CG 3.31Å; I701-E705 WeakPolarHBondContact O-CG 3.46Å; I701-V710 HydrophobicContact CG2-CG1 3.95Å
702	K	91.7	Very high	91.2	Very high	132 Å²	132	75.1 Å²	75.1	57%	0.574	36%	0.36	S	S	*	.	H	α-helix	trans	-78.8	-21.6	173	-73.2	176	-179.4	178	0	112.2	L698 R699 R700	L698-K702 VanDerWaalsContact O-CG 3.32Å; L698-K702 WeakPolarHBondContact O-CG 3.41Å; L698-K702 PolarHBondContact O-N 3.42Å; R699-K702 WeakPolarHBondContact O-CB 3.45Å; R699-K702 PolarHBondContact O-N 2.91Å; R700-K702 PolarHBondContact O-N 3.18Å
703	E	93	Very high	90.9	Very high	142 Å²	142	73.8 Å²	73.8	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-87.3	-48.7	176.5	-67.7	168.7	-173.4	0	0	110.5	R699 R700 I701	R699-E703 IonicContact NE-OE1 3.26Å; R699-E703 PolarHBondContact O-N 3.21Å; R700-E703 WeakPolarHBondContact O-CA 3.32Å; R700-E703 WeakPolarHBondContact O-CB 3.42Å; R700-E703 PolarHBondContact O-N 2.7Å; I701-E703 VanDerWaalsContact C-N 3.34Å
704	D	91.5	Very high	90.8	Very high	83 Å²	83	69.2 Å²	69.2	44%	0.444	32%	0.324	S	S	.	.			trans	-149.7	113.1	178.5	-175.9	3.9	0	0	0	110.8	R700 D706 D707	R700-D704 PolarHBondContact O-N 3.39Å; D704-D706 PolarHBondContact O-N 3.15Å; D704-D706 WeakPolarHBondContact OD1-CA 3.27Å; D704-D706 PolarHBondContact OD1-N 3.03Å; D704-D707 HydrophobicContact CB-CB 4.37Å
705	E	90.2	Very high	90.7	Very high	117 Å²	117	70 Å²	70	55%	0.547	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.4	177.2	-68.6	-172.8	-179.2	0	0	113.2	W621 K625 I701	W621-E705 PolarHBondContact NE1-O 3.49Å; K625-E705 WeakPolarHBondContact CE-O 3.45Å; K625-E705 VanDerWaalsContact NZ-C 3.31Å; K625-E705 PolarHBondContact NZ-O 2.99Å; I701-E705 VanDerWaalsContact O-CG 3.31Å; I701-E705 WeakPolarHBondContact O-CG 3.46Å
706	D	90.1	Very high	90.6	Very high	103 Å²	103	63.8 Å²	63.8	55%	0.551	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	10.6	-177.7	-73.4	-58.7	0	0	0	113.1	K625 D704 K708	K625-D706 VanDerWaalsContact CE-OD1 3.23Å; K625-D706 WeakPolarHBondContact CE-OD1 3.3Å; K625-D706 IonicContact NZ-OD1 2.72Å; K625-D706 PolarHBondContact NZ-OD1 3.39Å; K625-D706 IonicContact NZ-OD2 3.69Å; D704-D706 PolarHBondContact O-N 3.15Å; D704-D706 WeakPolarHBondContact OD1-CA 3.27Å; D704-D706 PolarHBondContact OD1-N 3.03Å; D706-K708 PolarHBondContact O-N 2.72Å
707	D	86.2	Confident	90.6	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.182	30%	0.298	C	S	.	.			trans	-57.5	105.8	174.2	-178.3	-19.3	0	0	0	109.9	R700 D704 T709 V710 L711	R700-D707 IonicContact NH1-OD2 2.84Å; D704-D707 HydrophobicContact CB-CB 4.37Å; D707-T709 PolarHBondContact O-N 3.46Å; D707-T709 WeakPolarHBondContact OD1-CA 3.35Å; D707-T709 VanDerWaalsContact OD1-CB 3.26Å; D707-T709 WeakPolarHBondContact OD1-CB 3.33Å; D707-T709 PolarHBondContact OD1-N 3.02Å; D707-V710 HydrophobicContact CB-CB 4.05Å; D707-V710 HydrophobicContact CB-CG2 3.89Å; D707-V710 VanDerWaalsContact CG-CG2 3.49Å; D707-V710 PolarHBondContact O-N 2.68Å; D707-V710 PolarHBondContact OD1-N 2.88Å; D707-V710 VanDerWaalsContact OD2-CG2 3.25Å; D707-V710 WeakPolarHBondContact OD2-CG2 3.39Å; D707-L711 PolarHBondContact O-N 2.84Å
708	K	82.5	Confident	90.6	Very high	166 Å²	166	62.8 Å²	62.8	72%	0.722	30%	0.3	S	S	*	.	H	α-helix	trans	-57.6	-36.3	-179.7	-71.4	-173.9	177.9	-179.5	0	112.4	D706 V710 L711 D712	D706-K708 PolarHBondContact O-N 2.72Å; K708-V710 VanDerWaalsContact C-N 3.33Å; K708-L711 PolarHBondContact O-N 3.36Å; K708-D712 WeakPolarHBondContact O-CB 3.31Å; K708-D712 PolarHBondContact O-N 2.99Å
709	T	83	Confident	90.6	Very high	77 Å²	77	63 Å²	63	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-40	177.5	-57.7	0	0	0	0	110.6	D707 L713	D707-T709 PolarHBondContact O-N 3.46Å; D707-T709 WeakPolarHBondContact OD1-CA 3.35Å; D707-T709 VanDerWaalsContact OD1-CB 3.26Å; D707-T709 WeakPolarHBondContact OD1-CB 3.33Å; D707-T709 PolarHBondContact OD1-N 3.02Å; T709-L713 HydrophobicContact CG2-CD1 4.1Å; T709-L713 WeakPolarHBondContact O-CB 3.35Å; T709-L713 WeakPolarHBondContact O-CG 3.27Å; T709-L713 PolarHBondContact O-N 2.98Å
710	V	88.4	Confident	90.5	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-71.4	-37.2	178.2	179.6	0	0	0	0	111.6	W621 M697 R700 I701 D707 K708 L713 A714	W621-V710 HydrophobicContact CH2-CG1 3.71Å; W621-V710 HydrophobicContact CZ2-CG1 4.09Å; W621-V710 HydrophobicContact CZ3-CG1 4.41Å; M697-V710 HydrophobicContact CE-CG1 4.31Å; R700-V710 HydrophobicContact CB-CG2 3.68Å; R700-V710 HydrophobicContact CG-CG2 4.19Å; I701-V710 HydrophobicContact CG2-CG1 3.95Å; D707-V710 HydrophobicContact CB-CB 4.05Å; D707-V710 HydrophobicContact CB-CG2 3.89Å; D707-V710 VanDerWaalsContact CG-CG2 3.49Å; D707-V710 PolarHBondContact O-N 2.68Å; D707-V710 PolarHBondContact OD1-N 2.88Å; D707-V710 VanDerWaalsContact OD2-CG2 3.25Å; D707-V710 WeakPolarHBondContact OD2-CG2 3.39Å; K708-V710 VanDerWaalsContact C-N 3.33Å; V710-L713 PolarHBondContact O-N 3.14Å; V710-A714 WeakPolarHBondContact O-CB 3.44Å; V710-A714 PolarHBondContact O-N 2.85Å
711	L	89.4	Confident	90.6	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-50.2	172.1	-74.8	167.8	0	0	0	111.3	W621 K625 A626 D707 K708 L713 A714 V715	W621-L711 HydrophobicContact CH2-CD2 3.99Å; W621-L711 HydrophobicContact CH2-CG 4.49Å; W621-L711 HydrophobicContact CZ2-CD2 3.44Å; W621-L711 VanDerWaalsContact CZ2-CD2 3.44Å; W621-L711 HydrophobicContact CZ2-CG 3.93Å; K625-L711 HydrophobicContact CG-CD2 4.39Å; A626-L711 HydrophobicContact CB-CD2 3.98Å; D707-L711 PolarHBondContact O-N 2.84Å; K708-L711 PolarHBondContact O-N 3.36Å; L711-L713 PolarHBondContact O-N 3.11Å; L711-A714 WeakPolarHBondContact O-CB 3.45Å; L711-A714 PolarHBondContact O-N 2.92Å; L711-V715 WeakPolarHBondContact O-CG2 3.36Å; L711-V715 PolarHBondContact O-N 2.99Å; L711-V715 VanDerWaalsContact O-N 3.11Å
712	D	85.1	Confident	90.6	Very high	59 Å²	59	55.2 Å²	55.2	32%	0.316	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-44.2	177.7	-79.8	-19.3	0	0	0	111.4	K708 A714 V715 V716	K708-D712 WeakPolarHBondContact O-CB 3.31Å; K708-D712 PolarHBondContact O-N 2.99Å; D712-A714 VanDerWaalsContact C-N 3.34Å; D712-A714 PolarHBondContact O-N 3.03Å; D712-V715 PolarHBondContact O-N 2.9Å; D712-V716 WeakPolarHBondContact O-CG2 3.32Å; D712-V716 PolarHBondContact O-N 3.44Å
713	L	89.4	Confident	90.7	Very high	67 Å²	67	52.6 Å²	52.6	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-62.4	-37.8	176.1	-76.1	172	0	0	0	112.7	T709 V710 L711 V715 V716 L717 M742	T709-L713 HydrophobicContact CG2-CD1 4.1Å; T709-L713 WeakPolarHBondContact O-CB 3.35Å; T709-L713 WeakPolarHBondContact O-CG 3.27Å; T709-L713 PolarHBondContact O-N 2.98Å; V710-L713 PolarHBondContact O-N 3.14Å; L711-L713 PolarHBondContact O-N 3.11Å; L713-V715 VanDerWaalsContact C-N 3.32Å; L713-V716 PolarHBondContact O-N 2.91Å; L713-L717 WeakPolarHBondContact O-CB 3.39Å; L713-L717 PolarHBondContact O-N 3.05Å; L713-M742 HydrophobicContact CD2-CE 3.53Å; L713-M742 HydrophobicContact CD2-SD 4.38Å
714	A	92.5	Very high	90.6	Very high	2 Å²	2	50 Å²	50	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-40	176.3	0	0	0	0	0	111.5	W621 A626 M697 V710 L711 D712 L717 F718	W621-A714 HydrophobicContact CH2-CB 3.77Å; W621-A714 HydrophobicContact CZ3-CB 3.73Å; A626-A714 HydrophobicContact CB-CB 3.82Å; M697-A714 HydrophobicContact CE-CB 3.56Å; V710-A714 WeakPolarHBondContact O-CB 3.44Å; V710-A714 PolarHBondContact O-N 2.85Å; L711-A714 WeakPolarHBondContact O-CB 3.45Å; L711-A714 PolarHBondContact O-N 2.92Å; D712-A714 VanDerWaalsContact C-N 3.34Å; D712-A714 PolarHBondContact O-N 3.03Å; A714-L717 PolarHBondContact O-N 3.03Å; A714-F718 PolarHBondContact O-N 3.3Å
715	V	92.5	Very high	90.7	Very high	15 Å²	15	46.2 Å²	46.2	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-69.9	-44.7	177.6	-179.4	0	0	0	0	111.3	L627 L711 D712 L713 L717 F718 E719	L627-V715 HydrophobicContact CD2-CG2 4.33Å; L711-V715 WeakPolarHBondContact O-CG2 3.36Å; L711-V715 PolarHBondContact O-N 2.99Å; L711-V715 VanDerWaalsContact O-N 3.11Å; D712-V715 PolarHBondContact O-N 2.9Å; L713-V715 VanDerWaalsContact C-N 3.32Å; V715-L717 VanDerWaalsContact C-N 3.3Å; V715-L717 PolarHBondContact O-N 2.97Å; V715-F718 WeakPolarHBondContact O-CB 3.39Å; V715-F718 PolarHBondContact O-N 2.88Å; V715-F718 VanDerWaalsContact O-N 3.16Å; V715-E719 HydrophobicContact CG1-CG 4.43Å; V715-E719 WeakPolarHBondContact O-CG 3.38Å; V715-E719 PolarHBondContact O-N 2.94Å
716	V	92.6	Very high	90.8	Very high	13 Å²	13	41.5 Å²	41.5	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-44	174.5	172.3	0	0	0	0	110.4	D712 L713 F718 E719 T720 R738 I739 M742	D712-V716 WeakPolarHBondContact O-CG2 3.32Å; D712-V716 PolarHBondContact O-N 3.44Å; L713-V716 PolarHBondContact O-N 2.91Å; V716-F718 VanDerWaalsContact C-N 3.28Å; V716-F718 PolarHBondContact O-N 3.03Å; V716-E719 PolarHBondContact O-N 2.8Å; V716-T720 WeakPolarHBondContact O-CB 3.48Å; V716-T720 PolarHBondContact O-N 3.5Å; V716-T720 PolarHBondContact O-OG1 2.75Å; V716-R738 HydrophobicContact CG2-CB 4.02Å; V716-R738 HydrophobicContact CG2-CG 4.46Å; V716-I739 HydrophobicContact CG1-CD1 4.13Å; V716-M742 HydrophobicContact CB-SD 4.32Å; V716-M742 HydrophobicContact CG1-SD 4.03Å; V716-M742 HydrophobicContact CG2-SD 3.83Å
717	L	94	Very high	90.9	Very high	21 Å²	21	37.1 Å²	37.1	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-40.7	177	-175.7	66.2	0	0	0	111.8	P644 C645 F685 I694 M697 L713 A714 V715 A721	P644-L717 HydrophobicContact CB-CD1 4.06Å; P644-L717 HydrophobicContact CG-CD1 3.89Å; C645-L717 WeakPolarHBondContact SG-CD1 3.39Å; C645-L717 VanDerWaalsContact SG-CG 3.51Å; F685-L717 HydrophobicContact CZ-CD2 4.47Å; F685-L717 HydrophobicContact CZ-CG 4.33Å; I694-L717 HydrophobicContact CD1-CD2 3.77Å; M697-L717 HydrophobicContact SD-CD2 3.91Å; L713-L717 WeakPolarHBondContact O-CB 3.39Å; L713-L717 PolarHBondContact O-N 3.05Å; A714-L717 PolarHBondContact O-N 3.03Å; V715-L717 VanDerWaalsContact C-N 3.3Å; V715-L717 PolarHBondContact O-N 2.97Å; L717-A721 VanDerWaalsContact O-CB 3.28Å; L717-A721 WeakPolarHBondContact O-CB 3.41Å; L717-A721 PolarHBondContact O-N 2.89Å
718	F	95.1	Very high	91	Very high	23 Å²	23	40.1 Å²	40.1	10%	0.101	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-44.7	174.4	168.8	-93.4	0	0	0	113	L627 K630 I631 L647 F685 A714 V715 V716 A721 T722	L627-F718 HydrophobicContact CD1-CB 3.83Å; L627-F718 HydrophobicContact CD1-CD2 3.96Å; L627-F718 HydrophobicContact CD1-CG 4.14Å; L627-F718 HydrophobicContact CD2-CB 3.44Å; L627-F718 VanDerWaalsContact CD2-CB 3.44Å; L627-F718 HydrophobicContact CD2-CD1 4.3Å; L627-F718 HydrophobicContact CD2-CD2 4.31Å; L627-F718 HydrophobicContact CD2-CG 3.77Å; L627-F718 HydrophobicContact CG-CB 4.29Å; K630-F718 HydrophobicContact CB-CE1 3.98Å; K630-F718 HydrophobicContact CB-CE2 4.15Å; K630-F718 HydrophobicContact CB-CZ 3.74Å; K630-F718 HydrophobicContact CD-CD1 3.96Å; K630-F718 HydrophobicContact CD-CE1 3.76Å; K630-F718 HydrophobicContact CD-CZ 4.4Å; K630-F718 HydrophobicContact CG-CE1 4.35Å; I631-F718 HydrophobicContact CG2-CD2 3.73Å; I631-F718 HydrophobicContact CG2-CE2 3.38Å; I631-F718 HydrophobicContact CG2-CZ 4.4Å; L647-F718 HydrophobicContact CD1-CD2 4.34Å; L647-F718 HydrophobicContact CD1-CE2 3.72Å; L647-F718 HydrophobicContact CD1-CZ 4.16Å; L647-F718 HydrophobicContact CD2-CD2 4.28Å; L647-F718 HydrophobicContact CD2-CE2 3.88Å; L647-F718 HydrophobicContact CG-CE2 4.3Å; F685-F718 AromaticContact CD2-CD2 3.89Å; F685-F718 HydrophobicContact CD2-CD2 3.89Å; F685-F718 HydrophobicContact CE2-CB 4.13Å; F685-F718 AromaticContact CE2-CD2 3.95Å; F685-F718 HydrophobicContact CE2-CD2 3.95Å; F685-F718 HydrophobicContact CZ-CB 4.48Å; A714-F718 PolarHBondContact O-N 3.3Å; V715-F718 WeakPolarHBondContact O-CB 3.39Å; V715-F718 PolarHBondContact O-N 2.88Å; V715-F718 VanDerWaalsContact O-N 3.16Å; V716-F718 VanDerWaalsContact C-N 3.28Å; V716-F718 PolarHBondContact O-N 3.03Å; F718-A721 WeakPolarHBondContact O-CB 3.48Å; F718-A721 PolarHBondContact O-N 2.78Å; F718-T722 PolarHBondContact O-N 2.91Å; F718-T722 PolarHBondContact O-OG1 2.84Å
719	E	94.3	Very high	91.3	Very high	13 Å²	13	33.6 Å²	33.6	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-43.2	179.3	-72.4	168.1	171	0	0	111	K630 V715 V716 A721 T722 L723 L729 Y735 R738	K630-E719 IonicContact NZ-OE1 2.76Å; V715-E719 HydrophobicContact CG1-CG 4.43Å; V715-E719 WeakPolarHBondContact O-CG 3.38Å; V715-E719 PolarHBondContact O-N 2.94Å; V716-E719 PolarHBondContact O-N 2.8Å; E719-A721 VanDerWaalsContact C-N 3.35Å; E719-A721 PolarHBondContact O-N 2.74Å; E719-T722 VanDerWaalsContact O-CB 3.29Å; E719-T722 WeakPolarHBondContact O-CB 3.36Å; E719-T722 PolarHBondContact O-N 2.76Å; E719-T722 VanDerWaalsContact O-N 3.17Å; E719-L723 PolarHBondContact O-N 3.06Å; E719-L723 VanDerWaalsContact O-N 3.17Å; E719-L729 HydrophobicContact CB-CD2 4.02Å; E719-L729 HydrophobicContact CG-CD2 4.26Å; E719-Y735 HydrophobicContact CB-CD2 3.64Å; E719-Y735 HydrophobicContact CB-CE2 4Å; E719-Y735 HydrophobicContact CG-CD2 4.43Å; E719-Y735 WeakPolarHBondContact OE2-CD2 3.27Å; E719-R738 IonicContact OE1-CZ 3.02Å; E719-R738 IonicContact OE1-NE 3.93Å; E719-R738 PolarHBondContact OE1-NE 2.75Å; E719-R738 IonicContact OE1-NH2 3.77Å; E719-R738 PolarHBondContact OE1-NH2 3.06Å; E719-R738 IonicContact OE2-CZ 3.09Å; E719-R738 IonicContact OE2-NE 3.17Å; E719-R738 PolarHBondContact OE2-NE 2.92Å; E719-R738 IonicContact OE2-NH2 2.61Å
720	T	93.8	Very high	91.4	Very high	43 Å²	43	36.3 Å²	36.3	26%	0.264	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-38.8	172.3	-54.5	0	0	0	0	111.9	V716 T722 L723 R724	V716-T720 WeakPolarHBondContact O-CB 3.48Å; V716-T720 PolarHBondContact O-N 3.5Å; V716-T720 PolarHBondContact O-OG1 2.75Å; T720-T722 VanDerWaalsContact C-N 3.29Å; T720-T722 PolarHBondContact O-N 2.87Å; T720-L723 PolarHBondContact O-N 2.78Å; T720-R724 HydrophobicContact CG2-CG 4.41Å; T720-R724 WeakPolarHBondContact O-CB 3.33Å; T720-R724 WeakPolarHBondContact O-CG 3.39Å; T720-R724 PolarHBondContact O-N 2.65Å
721	A	94.4	Very high	91.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-34.1	174.6	0	0	0	0	0	112.4	F685 L717 F718 E719 R724 S725	F685-A721 HydrophobicContact CE2-CB 3.8Å; L717-A721 VanDerWaalsContact O-CB 3.28Å; L717-A721 WeakPolarHBondContact O-CB 3.41Å; L717-A721 PolarHBondContact O-N 2.89Å; F718-A721 WeakPolarHBondContact O-CB 3.48Å; F718-A721 PolarHBondContact O-N 2.78Å; E719-A721 VanDerWaalsContact C-N 3.35Å; E719-A721 PolarHBondContact O-N 2.74Å; A721-R724 PolarHBondContact O-N 2.93Å; A721-S725 WeakPolarHBondContact O-CB 3.27Å; A721-S725 PolarHBondContact O-N 2.98Å; A721-S725 PolarHBondContact O-OG 3.48Å
722	T	93.4	Very high	91.6	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-51.5	176.6	-56.9	0	0	0	0	110.6	L647 F718 E719 T720 S725 G726 Y727 L729	L647-T722 HydrophobicContact CD1-CG2 4.35Å; L647-T722 VanDerWaalsContact CD1-OG1 3.28Å; L647-T722 WeakPolarHBondContact CD1-OG1 3.32Å; F718-T722 PolarHBondContact O-N 2.91Å; F718-T722 PolarHBondContact O-OG1 2.84Å; E719-T722 VanDerWaalsContact O-CB 3.29Å; E719-T722 WeakPolarHBondContact O-CB 3.36Å; E719-T722 PolarHBondContact O-N 2.76Å; E719-T722 VanDerWaalsContact O-N 3.17Å; T720-T722 VanDerWaalsContact C-N 3.29Å; T720-T722 PolarHBondContact O-N 2.87Å; T722-S725 PolarHBondContact O-N 2.89Å; T722-G726 PolarHBondContact O-N 2.76Å; T722-Y727 PolarHBondContact O-N 2.85Å; T722-L729 HydrophobicContact CG2-CD2 4.09Å
723	L	92.5	Very high	92	Very high	78 Å²	78	47.8 Å²	47.8	41%	0.408	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-49.4	174.7	-69.8	174.6	0	0	0	112.3	E719 T720 S725 G726 L729 Y735	E719-L723 PolarHBondContact O-N 3.06Å; E719-L723 VanDerWaalsContact O-N 3.17Å; T720-L723 PolarHBondContact O-N 2.78Å; L723-S725 PolarHBondContact O-N 3.37Å; L723-S725 VanDerWaalsContact O-N 3.12Å; L723-G726 PolarHBondContact O-N 2.83Å; L723-L729 HydrophobicContact CD1-CD1 3.76Å; L723-L729 HydrophobicContact CD1-CG 4.38Å; L723-L729 HydrophobicContact CD2-CD1 3.85Å; L723-L729 HydrophobicContact CD2-CG 3.73Å; L723-L729 HydrophobicContact CG-CD1 3.81Å; L723-L729 HydrophobicContact CG-CD2 4.31Å; L723-L729 HydrophobicContact CG-CG 3.86Å; L723-Y735 HydrophobicContact CD1-CE1 4.09Å
724	R	92.5	Very high	92	Very high	86 Å²	86	45.8 Å²	45.8	33%	0.325	25%	0.25	S	S	.	.	H	α-helix	trans	-65.4	-15.8	-179.6	-69.9	-164.8	-59.9	136.7	9.9	114	P553 S643 C645 T720 A721	P553-R724 WeakPolarHBondContact CD-O 3.42Å; S643-R724 PolarHBondContact OG-NH1 3.01Å; C645-R724 PolarHBondContact O-NH2 3.04Å; T720-R724 HydrophobicContact CG2-CG 4.41Å; T720-R724 WeakPolarHBondContact O-CB 3.33Å; T720-R724 WeakPolarHBondContact O-CG 3.39Å; T720-R724 PolarHBondContact O-N 2.65Å; A721-R724 PolarHBondContact O-N 2.93Å
725	S	93.6	Very high	92	Very high	5 Å²	5	48.2 Å²	48.2	4%	0.035	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.5	176.8	-55.4	0	0	0	0	112.9	L647 A721 T722 L723	L647-S725 PolarHBondContact N-OG 3.19Å; A721-S725 WeakPolarHBondContact O-CB 3.27Å; A721-S725 PolarHBondContact O-N 2.98Å; A721-S725 PolarHBondContact O-OG 3.48Å; T722-S725 PolarHBondContact O-N 2.89Å; L723-S725 PolarHBondContact O-N 3.37Å; L723-S725 VanDerWaalsContact O-N 3.12Å
726	G	91.2	Very high	91.9	Very high	17 Å²	17	49.1 Å²	49.1	18%	0.175	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	15.4	176.2	0	0	0	0	0	115	G656 T722 L723	G656-G726 CarbonylContact C-O 3.58Å; G656-G726 VanDerWaalsContact C-O 3.22Å; G656-G726 WeakPolarHBondContact CA-O 3.45Å; T722-G726 PolarHBondContact O-N 2.76Å; L723-G726 PolarHBondContact O-N 2.83Å
727	Y	92.1	Very high	91.8	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.047	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-92.8	152.2	175.5	-64.4	-85.2	0	0	0	111.3	L647 A649 K683 T722	L647-Y727 HydrophobicContact CB-CD2 4.37Å; L647-Y727 HydrophobicContact CB-CE2 4.09Å; A649-Y727 WeakPolarHBondContact CB-OH 3.27Å; K683-Y727 HydrophobicContact CD-CE1 4.26Å; K683-Y727 HydrophobicContact CG-CE1 4.27Å; K683-Y727 HydrophobicContact CG-CE2 4.43Å; T722-Y727 PolarHBondContact O-N 2.85Å
728	L	88.6	Confident	91.5	Very high	97 Å²	97	54.1 Å²	54.1	51%	0.508	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-77.2	137.1	172.9	-67.6	166.2	0	0	0	110.3	K663	K663-L728 HydrophobicContact CD-CD1 4.08Å
729	L	89.6	Confident	91.2	Very high	28 Å²	28	55.7 Å²	55.7	15%	0.147	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.4	133	170.6	-73.3	175.7	0	0	0	109.8	E719 T722 L723 D731 Y735	E719-L729 HydrophobicContact CB-CD2 4.02Å; E719-L729 HydrophobicContact CG-CD2 4.26Å; T722-L729 HydrophobicContact CG2-CD2 4.09Å; L723-L729 HydrophobicContact CD1-CD1 3.76Å; L723-L729 HydrophobicContact CD1-CG 4.38Å; L723-L729 HydrophobicContact CD2-CD1 3.85Å; L723-L729 HydrophobicContact CD2-CG 3.73Å; L723-L729 HydrophobicContact CG-CD1 3.81Å; L723-L729 HydrophobicContact CG-CD2 4.31Å; L723-L729 HydrophobicContact CG-CG 3.86Å; L729-D731 VanDerWaalsContact C-N 3.3Å; L729-D731 PolarHBondContact O-N 2.71Å; L729-Y735 HydrophobicContact CD1-CD1 3.77Å; L729-Y735 HydrophobicContact CD1-CD2 4.47Å; L729-Y735 HydrophobicContact CD1-CE1 4.4Å; L729-Y735 HydrophobicContact CD1-CG 3.8Å
730	P	84.8	Confident	90.9	Very high	134 Å²	134	59.2 Å²	59.2	87%	0.87	32%	0.319	S	S	*	.	S	Bend	trans	-63.5	-35.3	175	-23.9	34.2	0	0	0	113.4
731	D	90.2	Very high	90.4	Very high	86 Å²	86	63.3 Å²	63.3	46%	0.46	33%	0.33	S	S	.	.			trans	-138.2	107	-178.2	-174.2	-16.6	0	0	0	109.6	L729 K733 A734	L729-D731 VanDerWaalsContact C-N 3.3Å; L729-D731 PolarHBondContact O-N 2.71Å; D731-K733 WeakPolarHBondContact OD1-CA 3.41Å; D731-K733 WeakPolarHBondContact OD1-CB 3.35Å; D731-K733 PolarHBondContact OD1-N 2.79Å; D731-A734 HydrophobicContact CB-CB 4.05Å; D731-A734 PolarHBondContact OD1-N 2.93Å; D731-A734 WeakPolarHBondContact OD2-CB 3.29Å
732	T	91.5	Very high	89.8	Confident	109 Å²	109	66.6 Å²	66.6	67%	0.669	35%	0.346	S	S	*	.	H	α-helix	trans	-74.9	-27	178.7	52.7	0	0	0	0	112.4	G736	T732-G736 PolarHBondContact O-N 3.05Å; T732-G736 VanDerWaalsContact O-N 3.07Å
733	K	93	Very high	89.5	Confident	146 Å²	146	71 Å²	71	64%	0.635	37%	0.368	S	S	*	.	H	α-helix	trans	-72.4	-49.2	179.1	-176.8	179.9	177	-179.8	0	110.1	D731 Y735 G736 D737	D731-K733 WeakPolarHBondContact OD1-CA 3.41Å; D731-K733 WeakPolarHBondContact OD1-CB 3.35Å; D731-K733 PolarHBondContact OD1-N 2.79Å; K733-Y735 PolarHBondContact O-N 2.87Å; K733-G736 CarbonylContact O-C 3.58Å; K733-G736 WeakPolarHBondContact O-CA 3.22Å; K733-G736 PolarHBondContact O-N 3.12Å; K733-D737 VanDerWaalsContact O-CG 3.24Å; K733-D737 PolarHBondContact O-N 3.28Å
734	A	91	Very high	89.3	Confident	25 Å²	25	69.6 Å²	69.6	21%	0.207	36%	0.358	C	S	.	.	H	α-helix	trans	-58.5	-35.8	178.5	0	0	0	0	0	113.1	D731 R738	D731-A734 HydrophobicContact CB-CB 4.05Å; D731-A734 PolarHBondContact OD1-N 2.93Å; D731-A734 WeakPolarHBondContact OD2-CB 3.29Å; A734-R738 PolarHBondContact O-N 2.82Å
735	Y	91.1	Very high	88.9	Confident	54 Å²	54	70.1 Å²	70.1	21%	0.212	37%	0.367	C	S	.	.	H	α-helix	trans	-67.6	-46.5	172.4	176.5	-112.5	0	0	0	111.7	E719 L723 L729 K733 D737 R738 I739	E719-Y735 HydrophobicContact CB-CD2 3.64Å; E719-Y735 HydrophobicContact CB-CE2 4Å; E719-Y735 HydrophobicContact CG-CD2 4.43Å; E719-Y735 WeakPolarHBondContact OE2-CD2 3.27Å; L723-Y735 HydrophobicContact CD1-CE1 4.09Å; L729-Y735 HydrophobicContact CD1-CD1 3.77Å; L729-Y735 HydrophobicContact CD1-CD2 4.47Å; L729-Y735 HydrophobicContact CD1-CE1 4.4Å; L729-Y735 HydrophobicContact CD1-CG 3.8Å; K733-Y735 PolarHBondContact O-N 2.87Å; Y735-D737 PolarHBondContact O-N 3.37Å; Y735-R738 PolarHBondContact O-N 3.5Å; Y735-I739 HydrophobicContact CD2-CG1 4.41Å; Y735-I739 HydrophobicContact CE1-CG1 4.28Å; Y735-I739 HydrophobicContact CE2-CD1 4.08Å; Y735-I739 HydrophobicContact CE2-CG1 4.02Å; Y735-I739 WeakPolarHBondContact O-CG1 3.07Å; Y735-I739 PolarHBondContact O-N 2.93Å
736	G	91.5	Very high	88.6	Confident	34 Å²	34	74.2 Å²	74.2	35%	0.351	40%	0.395	S	S	.	.	H	α-helix	trans	-56.3	-49.6	175.4	0	0	0	0	0	112.6	T732 K733 R738 I739 E740	T732-G736 PolarHBondContact O-N 3.05Å; T732-G736 VanDerWaalsContact O-N 3.07Å; K733-G736 CarbonylContact O-C 3.58Å; K733-G736 WeakPolarHBondContact O-CA 3.22Å; K733-G736 PolarHBondContact O-N 3.12Å; G736-R738 VanDerWaalsContact C-N 3.31Å; G736-R738 PolarHBondContact O-N 3.27Å; G736-I739 PolarHBondContact O-N 2.69Å; G736-I739 VanDerWaalsContact O-N 3.12Å; G736-E740 PolarHBondContact O-N 3.06Å
737	D	89.7	Confident	88.6	Confident	80 Å²	80	79.2 Å²	79.2	43%	0.428	42%	0.418	S	S	.	.	H	α-helix	trans	-60.8	-38.6	179.7	-63.8	-6.2	0	0	0	111.6	K733 Y735 E740 R741	K733-D737 VanDerWaalsContact O-CG 3.24Å; K733-D737 PolarHBondContact O-N 3.28Å; Y735-D737 PolarHBondContact O-N 3.37Å; D737-E740 PolarHBondContact O-N 3.46Å; D737-R741 WeakPolarHBondContact O-CB 3.42Å; D737-R741 PolarHBondContact O-N 3.46Å
738	R	88.1	Confident	88.3	Confident	59 Å²	59	86 Å²	86	22%	0.223	46%	0.455	C	S	.	.	H	α-helix	trans	-64.8	-43.6	174.3	-84.9	-167.1	-108.6	-86.2	-6.1	112.3	V716 E719 A734 Y735 G736 R741 M742	V716-R738 HydrophobicContact CG2-CB 4.02Å; V716-R738 HydrophobicContact CG2-CG 4.46Å; E719-R738 IonicContact OE1-CZ 3.02Å; E719-R738 IonicContact OE1-NE 3.93Å; E719-R738 PolarHBondContact OE1-NE 2.75Å; E719-R738 IonicContact OE1-NH2 3.77Å; E719-R738 PolarHBondContact OE1-NH2 3.06Å; E719-R738 IonicContact OE2-CZ 3.09Å; E719-R738 IonicContact OE2-NE 3.17Å; E719-R738 PolarHBondContact OE2-NE 2.92Å; E719-R738 IonicContact OE2-NH2 2.61Å; A734-R738 PolarHBondContact O-N 2.82Å; Y735-R738 PolarHBondContact O-N 3.5Å; G736-R738 VanDerWaalsContact C-N 3.31Å; G736-R738 PolarHBondContact O-N 3.27Å; R738-R741 PolarHBondContact O-N 2.93Å; R738-M742 WeakPolarHBondContact O-CG 3.44Å; R738-M742 PolarHBondContact O-N 2.89Å
739	I	88.7	Confident	88.3	Confident	55 Å²	55	85 Å²	85	28%	0.282	45%	0.449	S	S	.	.	H	α-helix	trans	-64.6	-44	177	-64.7	-62.5	0	0	0	110.3	V716 Y735 G736 R741 M742 L743	V716-I739 HydrophobicContact CG1-CD1 4.13Å; Y735-I739 HydrophobicContact CD2-CG1 4.41Å; Y735-I739 HydrophobicContact CE1-CG1 4.28Å; Y735-I739 HydrophobicContact CE2-CD1 4.08Å; Y735-I739 HydrophobicContact CE2-CG1 4.02Å; Y735-I739 WeakPolarHBondContact O-CG1 3.07Å; Y735-I739 PolarHBondContact O-N 2.93Å; G736-I739 PolarHBondContact O-N 2.69Å; G736-I739 VanDerWaalsContact O-N 3.12Å; I739-R741 VanDerWaalsContact C-N 3.33Å; I739-R741 PolarHBondContact O-N 3.33Å; I739-M742 WeakPolarHBondContact O-CB 3.42Å; I739-M742 PolarHBondContact O-N 3.05Å; I739-M742 VanDerWaalsContact O-N 3.14Å; I739-L743 HydrophobicContact CG2-CD1 4.04Å; I739-L743 HydrophobicContact CG2-CG 4.36Å; I739-L743 WeakPolarHBondContact O-CG 3.34Å; I739-L743 PolarHBondContact O-N 3.23Å
740	E	87.1	Confident	88	Confident	88 Å²	88	88.4 Å²	88.4	41%	0.411	47%	0.467	S	S	.	.	H	α-helix	trans	-58.2	-45.4	175.8	-168.9	-170.8	151.2	0	0	111.3	G736 D737 M742 L743 R744	G736-E740 PolarHBondContact O-N 3.06Å; D737-E740 PolarHBondContact O-N 3.46Å; E740-M742 VanDerWaalsContact C-N 3.33Å; E740-M742 PolarHBondContact O-N 3.48Å; E740-L743 WeakPolarHBondContact O-CB 3.37Å; E740-L743 PolarHBondContact O-N 3.37Å; E740-L743 VanDerWaalsContact O-N 3.14Å; E740-R744 WeakPolarHBondContact O-CG 3.37Å; E740-R744 PolarHBondContact O-N 2.88Å; E740-R744 IonicContact OE1-CZ 3.98Å; E740-R744 VanDerWaalsContact OE1-CZ 3.24Å; E740-R744 IonicContact OE1-NE 3.61Å; E740-R744 PolarHBondContact OE1-NE 2.95Å; E740-R744 IonicContact OE1-NH2 3.52Å; E740-R744 PolarHBondContact OE1-NH2 3.46Å
741	R	83.3	Confident	87.5	Confident	128 Å²	128	84.6 Å²	84.6	48%	0.483	44%	0.442	S	S	.	.	H	α-helix	trans	-58.7	-42.9	174.9	-173.4	-179.5	-67.5	177.2	-2.1	112.1	D737 R738 I739 L743 R744 L745	D737-R741 WeakPolarHBondContact O-CB 3.42Å; D737-R741 PolarHBondContact O-N 3.46Å; R738-R741 PolarHBondContact O-N 2.93Å; I739-R741 VanDerWaalsContact C-N 3.33Å; I739-R741 PolarHBondContact O-N 3.33Å; R741-L743 VanDerWaalsContact C-N 3.34Å; R741-R744 PolarHBondContact O-N 3.17Å; R741-L745 HydrophobicContact CG-CD1 4.44Å; R741-L745 WeakPolarHBondContact O-CG 3.5Å; R741-L745 PolarHBondContact O-N 3.49Å
742	M	82.4	Confident	87.1	Confident	69 Å²	69	86.9 Å²	86.9	34%	0.34	46%	0.455	S	S	.	.	H	α-helix	trans	-64.8	-37.3	175.9	-71.4	-177.2	70.4	0	0	112.5	L713 V716 R738 I739 E740 S746	L713-M742 HydrophobicContact CD2-CE 3.53Å; L713-M742 HydrophobicContact CD2-SD 4.38Å; V716-M742 HydrophobicContact CB-SD 4.32Å; V716-M742 HydrophobicContact CG1-SD 4.03Å; V716-M742 HydrophobicContact CG2-SD 3.83Å; R738-M742 WeakPolarHBondContact O-CG 3.44Å; R738-M742 PolarHBondContact O-N 2.89Å; I739-M742 WeakPolarHBondContact O-CB 3.42Å; I739-M742 PolarHBondContact O-N 3.05Å; I739-M742 VanDerWaalsContact O-N 3.14Å; E740-M742 VanDerWaalsContact C-N 3.33Å; E740-M742 PolarHBondContact O-N 3.48Å; M742-S746 WeakPolarHBondContact O-CB 3.22Å; M742-S746 PolarHBondContact O-N 2.98Å; M742-S746 PolarHBondContact O-OG 3.31Å
743	L	87.8	Confident	86.7	Confident	100 Å²	100	83.6 Å²	83.6	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-67.8	-43.4	176	-69.6	171.9	0	0	0	111.4	I739 E740 R741 L745 S746 L747	I739-L743 HydrophobicContact CG2-CD1 4.04Å; I739-L743 HydrophobicContact CG2-CG 4.36Å; I739-L743 WeakPolarHBondContact O-CG 3.34Å; I739-L743 PolarHBondContact O-N 3.23Å; E740-L743 WeakPolarHBondContact O-CB 3.37Å; E740-L743 PolarHBondContact O-N 3.37Å; E740-L743 VanDerWaalsContact O-N 3.14Å; R741-L743 VanDerWaalsContact C-N 3.34Å; L743-L745 PolarHBondContact O-N 2.89Å; L743-S746 PolarHBondContact O-N 2.85Å; L743-L747 WeakPolarHBondContact O-CB 3.28Å; L743-L747 WeakPolarHBondContact O-CG 3.44Å; L743-L747 PolarHBondContact O-N 2.99Å
744	R	87.7	Confident	86.2	Confident	49 Å²	49	86.1 Å²	86.1	19%	0.185	45%	0.45	C	S	.	.	H	α-helix	trans	-56.6	-50	173.4	-72.4	174.2	179.4	-106.1	2.7	111.1	E740 R741 S746 L747 N748 I749 A753	E740-R744 WeakPolarHBondContact O-CG 3.37Å; E740-R744 PolarHBondContact O-N 2.88Å; E740-R744 IonicContact OE1-CZ 3.98Å; E740-R744 VanDerWaalsContact OE1-CZ 3.24Å; E740-R744 IonicContact OE1-NE 3.61Å; E740-R744 PolarHBondContact OE1-NE 2.95Å; E740-R744 IonicContact OE1-NH2 3.52Å; E740-R744 PolarHBondContact OE1-NH2 3.46Å; R741-R744 PolarHBondContact O-N 3.17Å; R744-S746 VanDerWaalsContact C-N 3.34Å; R744-S746 PolarHBondContact O-N 2.89Å; R744-L747 CarbonylContact O-C 3.53Å; R744-L747 PolarHBondContact O-N 3.49Å; R744-L747 VanDerWaalsContact O-N 3.17Å; R744-N748 PolarHBondContact O-N 3.47Å; R744-I749 CarbonylContact C-O 3.46Å; R744-I749 HydrophobicContact CB-CB 4.08Å; R744-I749 HydrophobicContact CB-CG2 4.49Å; R744-I749 HydrophobicContact CG-CB 4.26Å; R744-I749 HydrophobicContact CG-CG2 4.24Å; R744-I749 PolarHBondContact O-N 3.12Å; R744-A753 PolarHBondContact NH1-O 2.94Å
745	L	84	Confident	85.8	Confident	97 Å²	97	90.8 Å²	90.8	51%	0.508	48%	0.475	S	S	.	.	H	α-helix	trans	-60.4	-40.8	175.9	-70.8	171.9	0	0	0	112.6	R741 L743 L747 N748 P751	R741-L745 HydrophobicContact CG-CD1 4.44Å; R741-L745 WeakPolarHBondContact O-CG 3.5Å; R741-L745 PolarHBondContact O-N 3.49Å; L743-L745 PolarHBondContact O-N 2.89Å; L745-L747 VanDerWaalsContact C-N 3.27Å; L745-L747 PolarHBondContact O-N 3.3Å; L745-N748 PolarHBondContact O-N 3.44Å; L745-P751 HydrophobicContact CD2-CG 3.91Å; L745-P751 HydrophobicContact CG-CG 4.46Å
746	S	87	Confident	85.3	Confident	92 Å²	92	97 Å²	97	64%	0.643	51%	0.506	S	S	*	.	H	α-helix	trans	-67.8	-27.6	178.8	-58.9	0	0	0	0	112.9	M742 L743 R744	M742-S746 WeakPolarHBondContact O-CB 3.22Å; M742-S746 PolarHBondContact O-N 2.98Å; M742-S746 PolarHBondContact O-OG 3.31Å; L743-S746 PolarHBondContact O-N 2.85Å; R744-S746 VanDerWaalsContact C-N 3.34Å; R744-S746 PolarHBondContact O-N 2.89Å
747	L	90.7	Very high	84.6	Confident	122 Å²	122	102.9 Å²	102.9	64%	0.639	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	2.8	177.6	-66	174.4	0	0	0	113.3	L743 R744 L745 I749	L743-L747 WeakPolarHBondContact O-CB 3.28Å; L743-L747 WeakPolarHBondContact O-CG 3.44Å; L743-L747 PolarHBondContact O-N 2.99Å; R744-L747 CarbonylContact O-C 3.53Å; R744-L747 PolarHBondContact O-N 3.49Å; R744-L747 VanDerWaalsContact O-N 3.17Å; L745-L747 VanDerWaalsContact C-N 3.27Å; L745-L747 PolarHBondContact O-N 3.3Å; L747-I749 HydrophobicContact CB-CD1 3.87Å; L747-I749 HydrophobicContact CB-CG1 3.92Å; L747-I749 HydrophobicContact CD1-CD1 4.02Å; L747-I749 PolarHBondContact O-N 3.25Å
748	N	87.6	Confident	83.9	Confident	155 Å²	155	107.4 Å²	107.4	83%	0.829	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	32.2	-172.4	-54.5	-60.7	0	0	0	114	R744 L745	R744-N748 PolarHBondContact O-N 3.47Å; L745-N748 PolarHBondContact O-N 3.44Å
749	I	87.4	Confident	83.1	Confident	76 Å²	76	110.4 Å²	110.4	39%	0.39	58%	0.575	S	S	.	*			trans	-85.3	136.8	170.5	-57.6	170.2	0	0	0	107.6	R744 L747 P751 A753	R744-I749 CarbonylContact C-O 3.46Å; R744-I749 HydrophobicContact CB-CB 4.08Å; R744-I749 HydrophobicContact CB-CG2 4.49Å; R744-I749 HydrophobicContact CG-CB 4.26Å; R744-I749 HydrophobicContact CG-CG2 4.24Å; R744-I749 PolarHBondContact O-N 3.12Å; L747-I749 HydrophobicContact CB-CD1 3.87Å; L747-I749 HydrophobicContact CB-CG1 3.92Å; L747-I749 HydrophobicContact CD1-CD1 4.02Å; L747-I749 PolarHBondContact O-N 3.25Å; I749-P751 WeakPolarHBondContact O-CD 3.33Å; I749-A753 HydrophobicContact CG2-CB 4.12Å
750	D	83	Confident	81.7	Confident	98 Å²	98	116.7 Å²	116.7	52%	0.524	60%	0.603	S	S	.	*			trans	-56	122.9	173.7	-172.6	-18.7	0	0	0	109.5	D752 A753	D750-D752 PolarHBondContact O-N 2.98Å; D750-D752 PolarHBondContact OD1-N 2.86Å; D750-A753 HydrophobicContact CB-CB 4.12Å; D750-A753 VanDerWaalsContact O-CB 3.28Å; D750-A753 WeakPolarHBondContact O-CB 3.34Å; D750-A753 PolarHBondContact O-N 3.5Å
751	P	75.3	Confident	80.3	Confident	54 Å²	54	121.7 Å²	121.7	35%	0.351	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.4	-28.1	176	-28.3	36.1	0	0	0	113.8	L745 I749	L745-P751 HydrophobicContact CD2-CG 3.91Å; L745-P751 HydrophobicContact CG-CG 4.46Å; I749-P751 WeakPolarHBondContact O-CD 3.33Å
752	D	81.5	Confident	79	Confident	135 Å²	135	124.1 Å²	124.1	72%	0.722	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	7.1	-178.1	-60.1	-41.5	0	0	0	113.1	D750 K754	D750-D752 PolarHBondContact O-N 2.98Å; D750-D752 PolarHBondContact OD1-N 2.86Å; D752-K754 PolarHBondContact O-N 3.42Å; D752-K754 VanDerWaalsContact O-N 3.12Å
753	A	82.8	Confident	77.5	Confident	40 Å²	40	126.4 Å²	126.4	33%	0.331	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-60.4	116.5	175.5	0	0	0	0	0	110.8	R744 I749 D750	R744-A753 PolarHBondContact NH1-O 2.94Å; I749-A753 HydrophobicContact CG2-CB 4.12Å; D750-A753 HydrophobicContact CB-CB 4.12Å; D750-A753 VanDerWaalsContact O-CB 3.28Å; D750-A753 WeakPolarHBondContact O-CB 3.34Å; D750-A753 PolarHBondContact O-N 3.5Å
754	K	81.9	Confident	75.6	Confident	198 Å²	198	131 Å²	131	86%	0.861	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-74.9	150.5	177.7	-62.9	-174.2	178.6	-176	0	110.8	D752	D752-K754 PolarHBondContact O-N 3.42Å; D752-K754 VanDerWaalsContact O-N 3.12Å
755	V	83.6	Confident	73.7	Confident	123 Å²	123	137.5 Å²	137.5	75%	0.745	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-65.3	137.3	166.9	-175.9	0	0	0	0	107.3	D757	V755-D757 PolarHBondContact O-N 3.03Å
756	E	81.4	Confident	71.7	Confident	185 Å²	185	139.6 Å²	139.6	86%	0.864	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-64.6	131.7	172.3	-69.4	-178.9	164.8	0	0	109	E758	E756-E758 PolarHBondContact O-N 3.03Å
757	D	76.4	Confident	69.4	Low	157 Å²	157	141.6 Å²	141.6	84%	0.84	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-62.4	134.3	178.2	-61.7	-47.7	0	0	0	109.5	V755	V755-D757 PolarHBondContact O-N 3.03Å
758	E	75.4	Confident	67.1	Low	176 Å²	176	145 Å²	145	82%	0.822	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-63.9	130.5	175.7	-169.4	169.5	-168	0	0	108.5	E756 E760	E756-E758 PolarHBondContact O-N 3.03Å; E758-E760 PolarHBondContact O-N 3.29Å
759	P	70	Confident	64.8	Low	122 Å²	122	145 Å²	145	79%	0.792	75%	0.753	S	S	*	*			trans	-65.9	104.5	178	24.5	-30.9	0	0	0	109.4	E761	P759-E761 PolarHBondContact O-N 3.42Å
760	E	60	Low	62.6	Low	186 Å²	186	147.9 Å²	147.9	87%	0.869	77%	0.774	S	S	*	*			trans	-72.1	120.2	169.7	-68.7	-176.2	168.3	0	0	108.9	E758 E762	E758-E760 PolarHBondContact O-N 3.29Å; E760-E762 PolarHBondContact O-N 2.97Å
761	E	57.2	Low	60.3	Low	194 Å²	194	148.8 Å²	148.8	91%	0.907	78%	0.784	S	S	*	*			trans	-68.4	108.2	166.2	-78.5	-178.2	165.1	0	0	107.9	P759	P759-E761 PolarHBondContact O-N 3.42Å
762	E	55.6	Low	58.5	Low	178 Å²	178	154.1 Å²	154.1	83%	0.832	80%	0.804	S	S	*	*			trans	-56.5	134.8	167.9	-73.4	-168.4	167.7	0	0	109.1	E760 E764	E760-E762 PolarHBondContact O-N 2.97Å; E762-E764 PolarHBondContact O-N 3.28Å
763	P	51.7	Low	56.4	Low	117 Å²	117	154 Å²	154	76%	0.76	80%	0.803	S	S	*	*			trans	-61.6	127.7	179.4	24.7	-30.8	0	0	0	109.7	E765	P763-E765 PolarHBondContact O-N 3.25Å
764	E	46.6	Very low	54.2	Low	198 Å²	198	157.6 Å²	157.6	93%	0.925	82%	0.821	S	S	*	*			trans	-56.7	101.1	177.5	-73.7	-172.4	157.5	0	0	110.8	E762 T766	E762-E764 PolarHBondContact O-N 3.28Å; E764-T766 PolarHBondContact O-N 2.94Å
765	E	48.7	Very low	52	Low	185 Å²	185	156.1 Å²	156.1	86%	0.864	82%	0.817	S	S	*	*			trans	-73.9	112.3	167.3	-78.9	-167.1	162	0	0	109.7	P763 T767	P763-E765 PolarHBondContact O-N 3.25Å; E765-T767 PolarHBondContact O-N 3.17Å
766	T	42.5	Very low	49.7	Very low	140 Å²	140	158.1 Å²	158.1	86%	0.859	82%	0.819	S	S	*	*			trans	-58.1	120.3	170.8	41	0	0	0	0	111.2	E764	E764-T766 PolarHBondContact O-N 2.94Å
767	T	38.3	Very low	47.7	Very low	134 Å²	134	155.6 Å²	155.6	82%	0.822	81%	0.811	S	S	*	*			trans	-64.1	123.4	175.2	51.3	0	0	0	0	112.6	E765	E765-T767 PolarHBondContact O-N 3.17Å
768	E	42	Very low	45.8	Very low	195 Å²	195	156.3 Å²	156.3	91%	0.911	81%	0.809	S	S	*	*			trans	-125.8	116.8	149.1	-83.6	-168	160.7	0	0	109.4
769	D	39.4	Very low	44	Very low	153 Å²	153	154.9 Å²	154.9	82%	0.818	81%	0.807	S	S	*	*			trans	-56.1	134	170.7	-79.6	-50	0	0	0	110.8
770	T	40.7	Very low	42.5	Very low	137 Å²	137	158 Å²	158	84%	0.84	81%	0.811	S	S	*	*				177.4	140	107.1	28.2	0	0	0	0	113.8
771	T	35.8	Very low	41.4	Very low	117 Å²	117	158.1 Å²	158.1	72%	0.718	81%	0.812	S	S	*	*			trans	-40.4	150.9	171	45.3	0	0	0	0	120.5
772	E	37.3	Very low	40.6	Very low	166 Å²	166	158 Å²	158	78%	0.776	81%	0.814	S	S	*	*			trans	89.9	116.7	138.1	-81.4	174.6	-177.2	0	0	120.9
773	D	37.3	Very low	39.8	Very low	134 Å²	134	156.3 Å²	156.3	72%	0.717	81%	0.81	S	S	*	*				91.4	109.1	126.6	-75.8	-9.1	0	0	0	122.5
774	T	36	Very low	39.4	Very low	114 Å²	114	157.7 Å²	157.7	70%	0.699	82%	0.816	S	S	*	*			trans	65.9	119.9	133.5	37.9	0	0	0	0	122.6
775	E	36.8	Very low	39	Very low	167 Å²	167	150.5 Å²	150.5	78%	0.78	80%	0.795	S	S	*	*				62.1	122.2	126.4	-68.3	-177.4	169.1	0	0	121.6
776	Q	35.4	Very low	38.6	Very low	166 Å²	166	148.9 Å²	148.9	78%	0.776	80%	0.798	S	S	*	*			trans	76.5	114.4	137.3	-91.2	-179.1	-16.3	0	0	120.7
777	D	38.5	Very low	38.3	Very low	132 Å²	132	149.3 Å²	149.3	71%	0.706	80%	0.795	S	S	*	*				151.4	106.1	122.1	-76	-19.7	0	0	0	108.1
778	E	36.1	Very low	38.4	Very low	171 Å²	171	152.1 Å²	152.1	80%	0.799	80%	0.799	S	S	*	*				70.1	126.5	98.2	-77	-169.7	173.5	0	0	114.1
779	D	37.1	Very low	38	Very low	147 Å²	147	151.9 Å²	151.9	79%	0.786	80%	0.798	S	S	*	*			trans	100.2	137.7	156.5	-61.3	-28.3	0	0	0	121.8
780	E	39.6	Very low	37.9	Very low	187 Å²	187	154 Å²	154	87%	0.874	80%	0.803	S	S	*	*			trans	101	81	161.6	-55.7	-165.6	164.8	0	0	118.6
781	E	36	Very low	37.6	Very low	189 Å²	189	155.7 Å²	155.7	88%	0.883	80%	0.801	S	S	*	*				7.2	125.3	127.1	-62.4	-176.1	158.2	0	0	117.2
782	M	42.1	Very low	37.5	Very low	191 Å²	191	158.1 Å²	158.1	94%	0.941	80%	0.804	S	S	*	*				-159.4	116.4	122.9	-92	-146.6	-68.1	0	0	111.8
783	D	37.7	Very low	37.5	Very low	143 Å²	143	156 Å²	156	77%	0.765	80%	0.803	S	S	*	*			trans	-60.7	135.7	165.1	172.1	25.7	0	0	0	112.8	G785	D783-G785 PolarHBondContact OD1-N 3.39Å
784	V	42.6	Very low	37.4	Very low	145 Å²	145	153.8 Å²	153.8	88%	0.879	80%	0.803	S	S	*	*			trans	-155.3	106.1	130.9	-172.4	0	0	0	0	108.1
785	G	38.8	Very low	37.5	Very low	47 Å²	47	157 Å²	157	49%	0.485	81%	0.807	S	S	.	*			trans	-80.1	179.9	172.6	0	0	0	0	0	115.4	D783	D783-G785 PolarHBondContact OD1-N 3.39Å
786	T	39.8	Very low	37.4	Very low	151 Å²	151	157.3 Å²	157.3	93%	0.926	81%	0.809	S	S	*	*				-171.2	129.4	119.1	16.3	0	0	0	0	110.9
787	D	37.4	Very low	37.6	Very low	150 Å²	150	154.2 Å²	154.2	80%	0.802	81%	0.806	S	S	*	*			trans	-74.3	167.3	-177.4	-60.8	-65.5	0	0	0	113.8
788	E	40.1	Very low	37.6	Very low	193 Å²	193	154 Å²	154	90%	0.902	81%	0.809	S	S	*	*				172	108.9	105.8	-89.4	-180	-177.8	0	0	111.7
789	E	32.9	Very low	37.6	Very low	189 Å²	189	150.4 Å²	150.4	88%	0.883	81%	0.809	S	S	*	*			trans	-82.3	137	144.2	-73.4	-177.2	144.9	0	0	107.7
790	E	37.8	Very low	37.9	Very low	199 Å²	199	152.3 Å²	152.3	93%	0.93	81%	0.813	S	S	*	*			trans	-165.7	144.6	137.1	-113.4	177.6	-168.6	0	0	114.3
791	Q	34	Very low	37.8	Very low	172 Å²	172	152.3 Å²	152.3	80%	0.804	81%	0.811	S	S	*	*			trans	-86.2	156.4	-179.5	-77.2	173.8	-19.8	0	0	112.6
792	E	34.5	Very low	38.3	Very low	167 Å²	167	151.3 Å²	151.3	78%	0.78	81%	0.811	S	S	*	*			trans	75.2	132	141.5	-84.8	-170.1	172.9	0	0	122.4
793	T	37.2	Very low	38.2	Very low	122 Å²	122	151.2 Å²	151.2	75%	0.748	81%	0.808	S	S	*	*			trans	94.3	101.7	143.7	63.1	0	0	0	0	120.8
794	A	35.4	Very low	38.2	Very low	87 Å²	87	156.4 Å²	156.4	72%	0.719	84%	0.835	S	S	*	*				72.4	124.9	117.2	0	0	0	0	0	121.4
795	K	38	Very low	38	Very low	181 Å²	181	157 Å²	157	79%	0.787	83%	0.832	S	S	*	*			trans	92.4	115.2	142.7	-75.8	178.6	177.5	-177.5	0	119.8
796	E	35	Very low	37.9	Very low	174 Å²	174	162.7 Å²	162.7	81%	0.813	85%	0.851	S	S	*	*			trans	50.8	111.5	130.3	-69.8	177.4	139.1	0	0	118.4
797	S	39.5	Very low	37.8	Very low	102 Å²	102	163.4 Å²	163.4	71%	0.713	85%	0.847	S	S	*	*				-173.9	127.3	115.7	58.9	0	0	0	0	112.6
798	T	38.9	Very low	37.9	Very low	126 Å²	126	164.2 Å²	164.2	77%	0.773	85%	0.849	S	S	*	*			trans	52.7	107.4	134.8	57.5	0	0	0	0	118.9
799	A	35.9	Very low	37.7	Very low	97 Å²	97	162.4 Å²	162.4	80%	0.802	85%	0.846	S	S	*	*				78.6	101	78	0	0	0	0	0	113.9
800	E	42.8	Very low	38	Very low	186 Å²	186	160.6 Å²	160.6	87%	0.869	84%	0.843	S	S	*	*			trans	-167.2	106.3	145.2	-108.4	171	174.8	0	0	105.6
801	K	38.7	Very low	38.1	Very low	188 Å²	188	157.9 Å²	157.9	82%	0.817	84%	0.837	S	S	*	*				46.3	100.3	93.1	-82.1	-170.3	174	-174.2	0	112.3
802	D	45.8	Very low	38.4	Very low	167 Å²	167	156.8 Å²	156.8	89%	0.893	84%	0.84	S	S	*	*				-159.9	142.1	113.4	-95.4	-20.5	0	0	0	111.5
803	E	40.4	Very low	38.7	Very low	189 Å²	189	155.9 Å²	155.9	88%	0.883	85%	0.845	S	S	*	*			trans	-76.1	142	-171.8	-65.1	171.6	147.4	0	0	112.1
804	L	36.9	Very low	38.8	Very low	252 Å²	252	159 Å²	159	100%	1.319	85%	0.854	S	S	*	*			trans	-144.4	0	143.9	-104.9	165.4	0	0	0	108.9

Retrieved 804 of 804 residues in 314.1 ms (Link to these results)

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