A0A096MX62_PAPAN Loading...

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. When associated with CNPY3, required for proper folding of Toll-like receptors. 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.

AlphaFold DB (Q4R520), UniProt , Accession A0A096MX62, Species PAPAN (Papio anubis, Olive baboon), Gene HSP90B1, Length 804 aa.

						>A0A096MX62_PAPAN|A0A096MX62|HSP90B1
MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDGLNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALSGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTEAQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAKEEKEESDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEEDEYKAFYKSFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITDDFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADDKYNDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPTDITSLDQYVERMKEKQDKIYFMAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDESEKTKESREAVEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMERIMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIRDMLRRIKEDEDDKTVLDLAVVLFETATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEDEPEEEPEETTEDTTEDTEQDEDEEMDVGTDEEEQETAKESTAEKDEL
					

Structure Viewer

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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 251.5 ms (Link to these results)

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