A0A3Q0KKB1_SCHMA Loading...

Circadian oscillator component FRH

AlphaFold DB , UniProt , Accession A0A3Q0KKB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,038 aa.

						>A0A3Q0KKB1_SCHMA|A0A3Q0KKB1
MSAFGLDLDELTSAFDPKKPSSETSADTGSTQPGDFEEKKRKAEASLKPLLKEVGEDSTDDSPKRSKLSVTDTLEFNAPRIQIHKISSPETCTHEVAVPPDIEYKPITKDCGFPAKTFPFTLDAFQQQAIICIDNNQSVLLSAHTSAGKTVVAEYAIATALREKQRVIYTTPIKALSNQKYREFFEAFPEVGLLTGDATINPSASVLIMTTEILQSMLYKGASMVREVGWVIFDEIHYMRDPERGVVWEETIVLLPDSVRYVFLSATIPNARQFAEWIAHLHHQPCHVVSSDCRPVPLRHYLYPVGSEGLFLVLDEGKYLEQNFERAMRSFLSDESSNKRQKSQVDYNKRSENNVIQIVRLVKHRSLEPIIVFSFSKKECEIYALQLAKFDFTTDAEKKVVDEVFRNAIDGLSPEDRALPQVESVLPLLKRGIGIHHGGLLPLLKETIEILFSENLIKCLFATETFAMGLNMPARTVLFTSARKYDGQSYRWITSGEYIQMSGRAGRRGKDDSGTVILMVDESMTSELAHQIMMGPPPPLNSAFHITYNMLLNLLRVEEINPEYMMERSFCQFQNFSSLPNMYKELNELRATYASTVVDDEESVESYHQIQLCFDELVGQQWQYIRRPQYIVPFLQPGRLVKIVVQSISYGWGAVINLKKRQRKDRSSTPESFYILDCLLCNNPSRSDSDESGSDVPSGNPVDNLGITNSVTPTGSDTLPMAEIIPVRLDCVVGISAVRLVVPNDLRSKEARQGVLNAIEKVKVRMGGSLPVLDPIADMHISDPRFLEINEKVTAFQERLQHHWLHDDPRLSELSKVYRKKEQLRKRIDALTANLNSKVSLIQLEELSARKRVLRRLNFVSEYDVIELKGCVACEITSADELLLTELLFDGVFNRLSSEHIAALLSCFVFEERASEMPKLTKELSDALRTLQDTARRIARISNECRLPVDEDNYVDSFKPHLMDLVDAWTRGASFASVCSMTDLFEGTIIRTLRLLEELLRQMANAARTIGSNVLEKKFVEAIEKIKRDIVFAASLYL
					

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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	30.4	Very low	35.9	Very low	247 Å²	247	149.3 Å²	149.3	100%	1.217	83%	0.833	S	S	*	*				0	116.2	0	-78.8	178.3	178.9	0	0	108.1
2	S	33.9	Very low	36	Very low	127 Å²	127	146 Å²	146	89%	0.888	82%	0.82	S	S	*	*				99.4	24.7	123	138.2	0	0	0	0	124.2
3	A	33.8	Very low	35.9	Very low	86 Å²	86	143 Å²	143	71%	0.711	82%	0.815	S	S	*	*			trans	-162.9	83.2	167.2	0	0	0	0	0	114.5
4	F	43.6	Very low	35.9	Very low	209 Å²	209	138.8 Å²	138.8	92%	0.917	81%	0.806	S	S	*	*			trans	-143.5	72.8	157.8	-77.6	-73.9	0	0	0	108.2
5	G	33.8	Very low	35.7	Very low	81 Å²	81	141.7 Å²	141.7	84%	0.835	81%	0.806	S	S	*	*			trans	-96	106.6	160.3	0	0	0	0	0	107.2
6	L	35.8	Very low	35.3	Very low	161 Å²	161	141.8 Å²	141.8	84%	0.843	80%	0.803	S	S	*	*			trans	-96	120.3	168.7	-86.3	155.9	0	0	0	107.2
7	D	33.9	Very low	35.1	Very low	145 Å²	145	140.6 Å²	140.6	78%	0.775	80%	0.802	S	S	*	*			trans	-68	132.7	-171.3	-126.8	-27.4	0	0	0	111.5	D9	D7-D9 PolarHBondContact O-N 3.33Å
8	L	38.3	Very low	34.8	Very low	140 Å²	140	143.4 Å²	143.4	73%	0.733	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	1.9	-173.2	-106.6	140	0	0	0	113.9
9	D	38.2	Very low	34.2	Very low	128 Å²	128	146.5 Å²	146.5	68%	0.684	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-16.1	-172.9	-76.1	-15.4	0	0	0	114.6	D7 L11 T12	D7-D9 PolarHBondContact O-N 3.33Å; D9-L11 PolarHBondContact O-N 3.16Å; D9-T12 PolarHBondContact O-OG1 3.18Å
10	E	37.6	Very low	33.9	Very low	177 Å²	177	145.5 Å²	145.5	83%	0.827	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-78.9	-14.9	178.2	-79.8	-167.7	157.5	0	0	114.4	T12	E10-T12 VanDerWaalsContact C-N 3.33Å; E10-T12 PolarHBondContact O-N 3.11Å
11	L	35.8	Very low	33.4	Very low	141 Å²	141	143.6 Å²	143.6	74%	0.738	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-79.8	-7.6	-178.7	-97.2	156.6	0	0	0	114.7	D9	D9-L11 PolarHBondContact O-N 3.16Å
12	T	36.8	Very low	33.2	Very low	110 Å²	110	137.4 Å²	137.4	68%	0.675	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-97.2	0.2	-177.8	53	0	0	0	0	114.8	D9 E10	D9-T12 PolarHBondContact O-OG1 3.18Å; E10-T12 VanDerWaalsContact C-N 3.33Å; E10-T12 PolarHBondContact O-N 3.11Å
13	S	35.3	Very low	32.8	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-0.2	-178.1	69.1	0	0	0	0	115.8
14	A	35.8	Very low	32.3	Very low	84 Å²	84	141.7 Å²	141.7	69%	0.694	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-4.4	-179.5	0	0	0	0	0	115
15	F	32.3	Very low	31.5	Very low	182 Å²	182	137.2 Å²	137.2	80%	0.798	78%	0.781	S	S	*	*	S	Bend	trans	-105.5	45.4	-174.5	-73.4	-74.3	0	0	0	114.3
16	D	29.2	Very low	31	Very low	144 Å²	144	138.1 Å²	138.1	77%	0.77	78%	0.78	S	S	*	*			trans	-145.4	90.8	172.8	-131.7	-5.3	0	0	0	113.7
17	P	32.3	Very low	30.6	Very low	121 Å²	121	138 Å²	138	79%	0.786	78%	0.781	S	S	*	*			trans	-110.2	110.8	150.9	23.1	-6.8	0	0	0	109.7
18	K	29.5	Very low	30.1	Very low	192 Å²	192	138 Å²	138	84%	0.835	79%	0.786	S	S	*	*			trans	-48.2	136.5	164.2	-73.6	173.7	176.7	171.7	0	111.5
19	K	24.2	Very low	29.6	Very low	201 Å²	201	134.5 Å²	134.5	87%	0.874	78%	0.783	S	S	*	*			trans	-42.3	151.1	165.1	-66.6	174.2	175.5	177.3	0	113.2
20	P	28.1	Very low	29.2	Very low	126 Å²	126	133.5 Å²	133.5	82%	0.818	79%	0.787	S	S	*	*				-125.4	149.6	113.8	34.7	-26.7	0	0	0	113.2
21	S	23	Very low	28.9	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	78%	0.781	S	S	*	*			trans	-69.2	142.1	174.7	46.9	0	0	0	0	114.2
22	S	27.2	Very low	28.7	Very low	116 Å²	116	131 Å²	131	81%	0.811	78%	0.779	S	S	*	*				174.4	122.5	117.1	38.8	0	0	0	0	111.7
23	E	24	Very low	28.9	Very low	179 Å²	179	130.8 Å²	130.8	84%	0.836	78%	0.78	S	S	*	*			trans	4.9	134.4	141.9	-67	172.3	175.1	0	0	116.6
24	T	24.9	Very low	28.9	Very low	124 Å²	124	127.9 Å²	127.9	76%	0.761	77%	0.767	S	S	*	*				175.1	146.7	63.7	-3.2	0	0	0	0	110.2
25	S	24.9	Very low	29.3	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	76%	0.759	S	S	*	*			trans	59.3	131.4	149.4	57.9	0	0	0	0	122.9
26	A	24.2	Very low	29.8	Very low	99 Å²	99	126.1 Å²	126.1	82%	0.818	75%	0.748	S	S	*	*			trans	-62.9	141	172.7	0	0	0	0	0	113.9
27	D	26.4	Very low	30.5	Very low	160 Å²	160	126.6 Å²	126.6	86%	0.856	75%	0.746	S	S	*	*			trans	-148.2	133.2	148.4	-124.6	-14.3	0	0	0	109.9	G29	D27-G29 PolarHBondContact O-N 3.47Å
28	T	25.4	Very low	31.3	Very low	145 Å²	145	125.8 Å²	125.8	89%	0.89	73%	0.732	S	S	*	*			trans	-67.2	118	177.1	37.3	0	0	0	0	110.7
29	G	26.2	Very low	32	Very low	65 Å²	65	124 Å²	124	67%	0.67	72%	0.724	S	S	*	*			trans	-163.6	116.4	177	0	0	0	0	0	113.7	D27	D27-G29 PolarHBondContact O-N 3.47Å
30	S	30	Very low	32.9	Very low	108 Å²	108	119.6 Å²	119.6	76%	0.755	70%	0.704	S	S	*	*			trans	22.6	114.1	154.1	60.3	0	0	0	0	118.7	Q32	S30-Q32 PolarHBondContact O-N 3.39Å
31	T	32.2	Very low	34	Very low	116 Å²	116	123 Å²	123	71%	0.712	70%	0.701	S	S	*	*			trans	-52.3	114.4	172.8	-18	0	0	0	0	111.4
32	Q	31.4	Very low	35.3	Very low	148 Å²	148	124.1 Å²	124.1	69%	0.692	69%	0.693	S	S	*	*			trans	-82.2	152.6	179.4	-73.1	-173	-5.2	0	0	111.6	S30 G34 D35	S30-Q32 PolarHBondContact O-N 3.39Å; Q32-G34 PolarHBondContact O-N 3.16Å; Q32-D35 PolarHBondContact O-N 3.42Å
33	P	39.7	Very low	36.2	Very low	106 Å²	106	121 Å²	121	69%	0.688	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-15	-176.1	21.3	-32.7	0	0	0	115.7	D35 F36	P33-D35 PolarHBondContact O-N 3.28Å; P33-F36 WeakPolarHBondContact O-CB 3.49Å; P33-F36 PolarHBondContact O-N 3.12Å
34	G	36.6	Very low	37.3	Very low	47 Å²	47	117.3 Å²	117.3	49%	0.485	66%	0.656	S	S	.	*	H	α-helix	trans	-66.3	-30.4	-179.9	0	0	0	0	0	114.6	Q32 F36 E38	Q32-G34 PolarHBondContact O-N 3.16Å; G34-F36 PolarHBondContact O-N 3.16Å; G34-E38 PolarHBondContact O-N 3.33Å
35	D	43.2	Very low	38.6	Very low	97 Å²	97	114.7 Å²	114.7	52%	0.519	65%	0.647	S	S	.	*	H	α-helix	trans	-68.6	-20.4	176.4	-87.5	-22.7	0	0	0	112.7	Q32 P33 K39	Q32-D35 PolarHBondContact O-N 3.42Å; P33-D35 PolarHBondContact O-N 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.36Å; D35-K39 PolarHBondContact O-N 3.46Å
36	F	43.6	Very low	39.6	Very low	132 Å²	132	112.3 Å²	112.3	58%	0.579	63%	0.63	S	S	*	*	H	α-helix	trans	-81	-41.8	-179.3	-74.6	-88.8	0	0	0	112.6	P33 G34 K39 K40	P33-F36 WeakPolarHBondContact O-CB 3.49Å; P33-F36 PolarHBondContact O-N 3.12Å; G34-F36 PolarHBondContact O-N 3.16Å; F36-K39 PolarHBondContact O-N 3.19Å; F36-K40 PolarHBondContact O-N 3.44Å
37	E	44.7	Very low	40.5	Very low	153 Å²	153	108.9 Å²	108.9	72%	0.715	60%	0.598	S	S	*	*	H	α-helix	trans	-66.9	-36.6	176.4	-81	-171.8	157.4	0	0	112.1	K40 R41	E37-K40 PolarHBondContact O-N 3.05Å; E37-R41 VanDerWaalsContact O-CB 3.27Å; E37-R41 WeakPolarHBondContact O-CB 3.49Å; E37-R41 PolarHBondContact O-N 3.3Å
38	E	48.2	Very low	41.6	Very low	105 Å²	105	109.3 Å²	109.3	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-68.6	-37.7	178.5	-160.7	-179	154.1	0	0	111.9	G34 R41 K42	G34-E38 PolarHBondContact O-N 3.33Å; E38-R41 PolarHBondContact O-N 3.46Å; E38-K42 WeakPolarHBondContact O-CB 3.28Å; E38-K42 WeakPolarHBondContact O-CG 3.36Å; E38-K42 PolarHBondContact O-N 3.26Å; E38-K42 VanDerWaalsContact OE1-CE 3.29Å; E38-K42 WeakPolarHBondContact OE1-CE 3.48Å; E38-K42 IonicContact OE1-NZ 3.58Å; E38-K42 PolarHBondContact OE1-NZ 3.13Å
39	K	44.7	Very low	42.6	Very low	155 Å²	155	106.2 Å²	106.2	67%	0.674	58%	0.575	S	S	*	*	H	α-helix	trans	-64.4	-44.6	171.9	-78.1	-179.1	179.5	-179.1	0	112.1	D35 F36 R41 K42 A43	D35-K39 WeakPolarHBondContact O-CG 3.36Å; D35-K39 PolarHBondContact O-N 3.46Å; F36-K39 PolarHBondContact O-N 3.19Å; K39-R41 PolarHBondContact O-N 3.23Å; K39-K42 PolarHBondContact O-N 3.39Å; K39-A43 WeakPolarHBondContact O-CB 3.24Å; K39-A43 PolarHBondContact O-N 3.43Å
40	K	43	Very low	43.4	Very low	107 Å²	107	105.3 Å²	105.3	47%	0.465	56%	0.555	S	S	.	*	H	α-helix	trans	-59.1	-46.4	175.5	-176.6	176.1	177	176.4	0	111.5	F36 E37 A43 E44	F36-K40 PolarHBondContact O-N 3.44Å; E37-K40 PolarHBondContact O-N 3.05Å; K40-A43 PolarHBondContact O-N 3.17Å; K40-E44 WeakPolarHBondContact CE-OE1 3.42Å; K40-E44 WeakPolarHBondContact O-CG 3.35Å; K40-E44 PolarHBondContact O-N 3.43Å
41	R	51.2	Low	44.1	Very low	198 Å²	198	103.5 Å²	103.5	75%	0.747	54%	0.536	S	S	*	.	H	α-helix	trans	-70.6	-35.4	-177.1	-161.4	174.9	167.6	-166.9	-4.9	113	E37 E38 K39 A45	E37-R41 VanDerWaalsContact O-CB 3.27Å; E37-R41 WeakPolarHBondContact O-CB 3.49Å; E37-R41 PolarHBondContact O-N 3.3Å; E38-R41 PolarHBondContact O-N 3.46Å; K39-R41 PolarHBondContact O-N 3.23Å; R41-A45 VanDerWaalsContact O-CB 3.29Å; R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.25Å
42	K	50.2	Low	44.8	Very low	131 Å²	131	105.6 Å²	105.6	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-67	-40.2	171.6	-78.2	176.9	-176.4	162.7	0	111.7	E38 K39 S46	E38-K42 WeakPolarHBondContact O-CB 3.28Å; E38-K42 WeakPolarHBondContact O-CG 3.36Å; E38-K42 PolarHBondContact O-N 3.26Å; E38-K42 VanDerWaalsContact OE1-CE 3.29Å; E38-K42 WeakPolarHBondContact OE1-CE 3.48Å; E38-K42 IonicContact OE1-NZ 3.58Å; E38-K42 PolarHBondContact OE1-NZ 3.13Å; K39-K42 PolarHBondContact O-N 3.39Å; K42-S46 PolarHBondContact O-N 2.81Å; K42-S46 PolarHBondContact O-OG 2.76Å
43	A	46.2	Very low	45.3	Very low	50 Å²	50	104 Å²	104	41%	0.413	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176.3	0	0	0	0	0	112.6	K39 K40 L47 R799	K39-A43 WeakPolarHBondContact O-CB 3.24Å; K39-A43 PolarHBondContact O-N 3.43Å; K40-A43 PolarHBondContact O-N 3.17Å; A43-L47 PolarHBondContact O-N 3.13Å; A43-R799 PolarHBondContact O-NH2 3.38Å
44	E	46.9	Very low	45.4	Very low	102 Å²	102	100.7 Å²	100.7	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-67	-39.5	177.4	-75.1	176	-174.6	0	0	113.2	K40 S46 L47	K40-E44 WeakPolarHBondContact CE-OE1 3.42Å; K40-E44 WeakPolarHBondContact O-CG 3.35Å; K40-E44 PolarHBondContact O-N 3.43Å; E44-S46 VanDerWaalsContact C-N 3.32Å; E44-S46 PolarHBondContact O-N 3.3Å; E44-L47 WeakPolarHBondContact O-CB 3.26Å; E44-L47 PolarHBondContact O-N 3.32Å
45	A	50.9	Low	45.1	Very low	69 Å²	69	99.9 Å²	99.9	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-35.3	178.7	0	0	0	0	0	112.4	R41 L47	R41-A45 VanDerWaalsContact O-CB 3.29Å; R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.25Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 2.95Å
46	S	46.1	Very low	44.7	Very low	65 Å²	65	103 Å²	103	46%	0.455	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.4	176.4	-68.7	0	0	0	0	113.7	K42 E44 R799	K42-S46 PolarHBondContact O-N 2.81Å; K42-S46 PolarHBondContact O-OG 2.76Å; E44-S46 VanDerWaalsContact C-N 3.32Å; E44-S46 PolarHBondContact O-N 3.3Å; S46-R799 PolarHBondContact O-NH1 2.8Å; S46-R799 PolarHBondContact O-NH2 2.97Å
47	L	43.1	Very low	44.2	Very low	28 Å²	28	105 Å²	105	15%	0.147	53%	0.525	C	S	.	.	H	α-helix	trans	-76.4	-34.9	-176.9	-101.5	149.9	0	0	0	112.4	A43 E44 A45 L51 I610 R799	A43-L47 PolarHBondContact O-N 3.13Å; E44-L47 WeakPolarHBondContact O-CB 3.26Å; E44-L47 PolarHBondContact O-N 3.32Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 2.95Å; L47-L51 HydrophobicContact CB-CD1 4.46Å; L47-L51 HydrophobicContact CD2-CD1 3.55Å; L47-L51 HydrophobicContact CD2-CG 4.17Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.48Å; L47-I610 HydrophobicContact CD2-CG1 4.42Å; L47-R799 VanDerWaalsContact N-NH2 3.11Å
48	K	50.6	Low	43.5	Very low	169 Å²	169	101.4 Å²	101.4	74%	0.735	52%	0.517	S	S	*	.	H	α-helix	trans	-67.5	-37.7	-172.4	-80	-177.6	176.9	177.4	0	116.4
49	P	46.4	Very low	42.7	Very low	80 Å²	80	102.8 Å²	102.8	52%	0.519	53%	0.533	S	S	.	.	H	α-helix	trans	-76.7	-40.6	-179.1	-15.4	30.1	0	0	0	112.7	K52 E53	P49-K52 WeakPolarHBondContact O-CB 3.45Å; P49-K52 PolarHBondContact O-N 2.94Å; P49-E53 PolarHBondContact O-N 2.7Å
50	L	43	Very low	41.8	Very low	46 Å²	46	102.9 Å²	102.9	24%	0.241	54%	0.541	C	S	.	.	H	α-helix	trans	-79.1	-31.7	-172.6	-79.4	158.8	0	0	0	113.7	K52 E53 V54	L50-K52 PolarHBondContact O-N 3.28Å; L50-E53 PolarHBondContact O-N 2.91Å; L50-V54 PolarHBondContact O-N 3.48Å
51	L	44.6	Very low	41.2	Very low	70 Å²	70	105.3 Å²	105.3	37%	0.366	56%	0.559	S	S	.	*	H	α-helix	trans	-65.1	-24.6	171	-77.6	169.6	0	0	0	112.5	L47 G55	L47-L51 HydrophobicContact CB-CD1 4.46Å; L47-L51 HydrophobicContact CD2-CD1 3.55Å; L47-L51 HydrophobicContact CD2-CG 4.17Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.48Å; L51-G55 PolarHBondContact O-N 3.41Å
52	K	45.8	Very low	40.2	Very low	159 Å²	159	99.4 Å²	99.4	69%	0.691	55%	0.548	S	S	*	.	H	α-helix	trans	-74.4	-39.4	174.8	-76.2	-176.2	172.6	-169.5	0	112.3	P49 L50 G55	P49-K52 WeakPolarHBondContact O-CB 3.45Å; P49-K52 PolarHBondContact O-N 2.94Å; L50-K52 PolarHBondContact O-N 3.28Å; K52-G55 PolarHBondContact O-N 2.9Å
53	E	42.3	Very low	39.3	Very low	115 Å²	115	99.4 Å²	99.4	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-73.9	-30.8	-179.6	-74.6	-174.3	-179.2	0	0	114	P49 L50 G55 K792	P49-E53 PolarHBondContact O-N 2.7Å; L50-E53 PolarHBondContact O-N 2.91Å; E53-G55 VanDerWaalsContact C-N 3.3Å; E53-K792 IonicContact OE2-NZ 3.68Å; E53-K792 PolarHBondContact OE2-NZ 2.96Å
54	V	41	Very low	38.7	Very low	36 Å²	36	105.6 Å²	105.6	22%	0.218	58%	0.579	C	S	.	*	H	α-helix	trans	-75.6	-24.3	174.7	-178.9	0	0	0	0	111	L50	L50-V54 PolarHBondContact O-N 3.48Å
55	G	30.7	Very low	38.2	Very low	30 Å²	30	110.6 Å²	110.6	31%	0.309	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-84.5	-6.6	179.9	0	0	0	0	0	115.9	L51 K52 E53 D57 S58	L51-G55 PolarHBondContact O-N 3.41Å; K52-G55 PolarHBondContact O-N 2.9Å; E53-G55 VanDerWaalsContact C-N 3.3Å; G55-D57 VanDerWaalsContact C-N 3.25Å; G55-D57 PolarHBondContact O-N 3.47Å; G55-S58 PolarHBondContact O-N 2.89Å
56	E	34.5	Very low	37.4	Very low	164 Å²	164	110.3 Å²	110.3	77%	0.766	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-70.7	-15.8	-176.1	-81.9	-171.3	169.9	0	0	114.3
57	D	34.2	Very low	36.8	Very low	173 Å²	173	115.7 Å²	115.7	93%	0.925	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-95.1	1.1	173.9	-83.5	-22	0	0	0	114.2	G55	G55-D57 VanDerWaalsContact C-N 3.25Å; G55-D57 PolarHBondContact O-N 3.47Å
58	S	30.1	Very low	36.4	Very low	77 Å²	77	119 Å²	119	54%	0.538	62%	0.62	S	S	.	*	S	Bend	trans	-127.5	104	171.6	62.6	0	0	0	0	109.8	G55 D60	G55-S58 PolarHBondContact O-N 2.89Å; S58-D60 PolarHBondContact O-N 2.57Å
59	T	29.9	Very low	35.7	Very low	134 Å²	134	115.4 Å²	115.4	82%	0.822	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-16.7	101.6	171.6	50.3	0	0	0	0	114.9	D61	T59-D61 VanDerWaalsContact C-N 3.33Å; T59-D61 PolarHBondContact O-N 3.33Å
60	D	27.7	Very low	35	Very low	158 Å²	158	116.8 Å²	116.8	85%	0.845	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	26.9	52.4	143.9	-135.6	7	0	0	0	118.3	S58	S58-D60 PolarHBondContact O-N 2.57Å
61	D	29.4	Very low	34.8	Very low	158 Å²	158	117.5 Å²	117.5	85%	0.845	63%	0.629	S	S	*	*			trans	-112.8	72.5	163.7	-101.5	-21.7	0	0	0	109.1	T59	T59-D61 VanDerWaalsContact C-N 3.33Å; T59-D61 PolarHBondContact O-N 3.33Å
62	S	31.2	Very low	34.6	Very low	74 Å²	74	120 Å²	120	52%	0.517	64%	0.642	S	S	.	*			trans	-49.6	139	157.6	63.9	0	0	0	0	108.8	K64	S62-K64 PolarHBondContact O-N 2.94Å
63	P	31.5	Very low	34.3	Very low	130 Å²	130	118.1 Å²	118.1	84%	0.844	65%	0.645	S	S	*	*			trans	-75.1	76.4	-175.3	31.7	-33.6	0	0	0	108.5	R65	P63-R65 PolarHBondContact O-N 3.44Å
64	K	33.6	Very low	34.2	Very low	181 Å²	181	115.6 Å²	115.6	79%	0.787	63%	0.634	S	S	*	*			trans	-58.7	99.8	153.6	-76.6	178.8	-176.8	167.3	0	103.6	S62 S66	S62-K64 PolarHBondContact O-N 2.94Å; K64-S66 PolarHBondContact O-N 3.41Å
65	R	35	Very low	34.4	Very low	207 Å²	207	122 Å²	122	78%	0.781	66%	0.662	S	S	*	*			trans	-42.9	95.1	162.2	-150.6	177.5	-167.6	175.8	5.7	104.8	P63 K67	P63-R65 PolarHBondContact O-N 3.44Å; R65-K67 PolarHBondContact O-N 3.35Å
66	S	33.9	Very low	35.3	Very low	63 Å²	63	123 Å²	123	44%	0.441	66%	0.658	S	S	.	*			trans	-64.8	87.8	164.6	49.6	0	0	0	0	102	K64 L68	K64-S66 PolarHBondContact O-N 3.41Å; S66-L68 VanDerWaalsContact C-N 3.34Å; S66-L68 PolarHBondContact O-N 2.85Å
67	K	34.3	Very low	36.1	Very low	178 Å²	178	122.3 Å²	122.3	77%	0.774	66%	0.659	S	S	*	*			trans	-40.9	118.7	146.6	-71.6	-178.7	176.3	-179.7	0	102.2	R65 S69	R65-K67 PolarHBondContact O-N 3.35Å; K67-S69 PolarHBondContact O-N 2.89Å
68	L	34	Very low	37.1	Very low	98 Å²	98	115.2 Å²	115.2	51%	0.513	63%	0.625	S	S	.	*			trans	-54.2	86.8	168.8	-97.7	92.2	0	0	0	104.7	S66 V70	S66-L68 VanDerWaalsContact C-N 3.34Å; S66-L68 PolarHBondContact O-N 2.85Å; L68-V70 PolarHBondContact O-N 2.98Å
69	S	36.5	Very low	38.6	Very low	92 Å²	92	113.1 Å²	113.1	64%	0.643	61%	0.609	S	S	*	*			trans	-78.6	89.3	-178.4	53.8	0	0	0	0	101.8	K67 T71	K67-S69 PolarHBondContact O-N 2.89Å; S69-T71 VanDerWaalsContact C-N 3.28Å; S69-T71 PolarHBondContact O-N 3.13Å
70	V	32.6	Very low	40.4	Very low	110 Å²	110	116 Å²	116	67%	0.667	61%	0.605	S	S	*	*			trans	30.5	68.6	138.7	-168.8	0	0	0	0	110.7	L68 D72	L68-V70 PolarHBondContact O-N 2.98Å; V70-D72 HydrophobicContact CG1-CB 3.86Å; V70-D72 PolarHBondContact O-N 2.9Å
71	T	37.9	Very low	42.9	Very low	60 Å²	60	109.8 Å²	109.8	37%	0.368	57%	0.572	S	S	.	*			trans	-84.7	34.7	159.2	24.3	0	0	0	0	108.5	S69 T73 R590	S69-T71 VanDerWaalsContact C-N 3.28Å; S69-T71 PolarHBondContact O-N 3.13Å; T71-T73 PolarHBondContact O-N 3.02Å; T71-T73 VanDerWaalsContact O-N 3.16Å; T71-R590 PolarHBondContact OG1-NH2 3.03Å
72	D	41.1	Very low	45.4	Very low	122 Å²	122	106.6 Å²	106.6	65%	0.652	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	7.8	-178	-71.7	-21.3	0	0	0	112.7	V70	V70-D72 HydrophobicContact CG1-CB 3.86Å; V70-D72 PolarHBondContact O-N 2.9Å
73	T	39.1	Very low	47.9	Very low	121 Å²	121	105.1 Å²	105.1	74%	0.742	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	34.3	176.9	58.7	0	0	0	0	112.9	T71 E75	T71-T73 PolarHBondContact O-N 3.02Å; T71-T73 VanDerWaalsContact O-N 3.16Å; T73-E75 PolarHBondContact O-N 2.89Å; T73-E75 VanDerWaalsContact O-N 3.11Å
74	L	41	Very low	50.4	Low	62 Å²	62	101.7 Å²	101.7	33%	0.325	51%	0.51	S	S	.	.			trans	-77.4	76.6	150.1	-77.2	163	0	0	0	106.8	F76 Y583 V839	L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 2.92Å; L74-Y583 HydrophobicContact CB-CE1 4.34Å; L74-Y583 WeakPolarHBondContact CB-OH 3.44Å; L74-Y583 HydrophobicContact CD1-CE1 4.43Å; L74-V839 HydrophobicContact CD2-CG1 4.47Å
75	E	43.5	Very low	52.7	Low	170 Å²	170	100.6 Å²	100.6	79%	0.794	51%	0.506	S	S	*	.			trans	-63.8	97.8	167.2	-78.6	-170.5	163.2	0	0	107.8	T73 N77	T73-E75 PolarHBondContact O-N 2.89Å; T73-E75 VanDerWaalsContact O-N 3.11Å; E75-N77 PolarHBondContact O-N 3.48Å; E75-N77 VanDerWaalsContact O-N 3.13Å
76	F	50.4	Low	54.9	Low	51 Å²	51	92.2 Å²	92.2	22%	0.224	48%	0.476	C	S	.	.			trans	-76.2	98.3	178.7	176.2	-121.2	0	0	0	109.7	L74 A78 F576 L579 P580 Y583	L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 2.92Å; F76-A78 HydrophobicContact CD1-CB 3.65Å; F76-A78 HydrophobicContact CE1-CB 2.99Å; F76-A78 HydrophobicContact CE2-CB 4.04Å; F76-A78 HydrophobicContact CG-CB 4.42Å; F76-A78 HydrophobicContact CZ-CB 3.2Å; F76-A78 PolarHBondContact O-N 2.88Å; F76-F576 WeakPolarHBondContact CZ-O 3.22Å; F76-L579 HydrophobicContact CD2-CB 4.32Å; F76-L579 HydrophobicContact CD2-CD1 4Å; F76-L579 HydrophobicContact CE1-CB 4.39Å; F76-L579 HydrophobicContact CE2-CB 3.71Å; F76-L579 HydrophobicContact CE2-CD1 3.52Å; F76-L579 HydrophobicContact CE2-CG 4.23Å; F76-L579 HydrophobicContact CZ-CB 3.74Å; F76-L579 HydrophobicContact CZ-CD1 4.34Å; F76-P580 HydrophobicContact CE1-CB 3.88Å; F76-P580 HydrophobicContact CE1-CG 3.71Å; F76-P580 HydrophobicContact CZ-CG 4.15Å; F76-Y583 HydrophobicContact CB-CE2 4.03Å; F76-Y583 HydrophobicContact CD1-CD2 4.48Å; F76-Y583 HydrophobicContact CD2-CE2 4.17Å; F76-Y583 HydrophobicContact CG-CD2 4.38Å; F76-Y583 AromaticContact CG-CE2 3.99Å; F76-Y583 HydrophobicContact CG-CE2 3.99Å
77	N	51.4	Low	56.8	Low	149 Å²	149	95 Å²	95	80%	0.797	50%	0.496	S	S	*	.			trans	-77	66.5	166.4	-75.9	-19.8	0	0	0	110	E75	E75-N77 PolarHBondContact O-N 3.48Å; E75-N77 VanDerWaalsContact O-N 3.13Å
78	A	55.9	Low	58.6	Low	25 Å²	25	88.1 Å²	88.1	21%	0.207	47%	0.469	C	S	.	.			trans	-57.3	141.4	166.4	0	0	0	0	0	109.6	F76 R80	F76-A78 HydrophobicContact CD1-CB 3.65Å; F76-A78 HydrophobicContact CE1-CB 2.99Å; F76-A78 HydrophobicContact CE2-CB 4.04Å; F76-A78 HydrophobicContact CG-CB 4.42Å; F76-A78 HydrophobicContact CZ-CB 3.2Å; F76-A78 PolarHBondContact O-N 2.88Å; A78-R80 PolarHBondContact O-N 3.1Å
79	P	60.1	Low	60.5	Low	32 Å²	32	86.3 Å²	86.3	21%	0.208	46%	0.463	C	S	.	.			trans	-60.7	104.5	160.6	25.2	-30.2	0	0	0	108.7	I81 H280 F573	P79-I81 HydrophobicContact CB-CG1 4.38Å; P79-I81 PolarHBondContact O-N 2.93Å; P79-H280 HydrophobicContact CB-CB 4.32Å; P79-F573 HydrophobicContact CB-CE2 4.1Å; P79-F573 HydrophobicContact CG-CD2 4.1Å; P79-F573 HydrophobicContact CG-CE2 3.54Å; P79-F573 HydrophobicContact CG-CZ 4.35Å
80	R	68.5	Low	62	Low	195 Å²	195	91.9 Å²	91.9	74%	0.736	48%	0.479	S	S	*	.			trans	-82.2	69.1	176.7	-66.2	-175.1	-175.5	177.7	3.1	109.4	A78 Q82 P100	A78-R80 PolarHBondContact O-N 3.1Å; R80-Q82 PolarHBondContact O-N 2.95Å; R80-P100 WeakPolarHBondContact O-CB 3.44Å; R80-P100 WeakPolarHBondContact O-CD 3.03Å
81	I	79.5	Confident	64.1	Low	28 Å²	28	89.9 Å²	89.9	14%	0.144	47%	0.468	C	S	.	.			trans	-72	128.2	175	-59.2	-59.4	0	0	0	109.1	P79 A97 E276 A279 H280	P79-I81 HydrophobicContact CB-CG1 4.38Å; P79-I81 PolarHBondContact O-N 2.93Å; I81-A97 HydrophobicContact CG2-CB 3.79Å; I81-E276 HydrophobicContact CB-CB 4.33Å; I81-E276 HydrophobicContact CB-CG 4.28Å; I81-E276 HydrophobicContact CG1-CB 4.33Å; I81-E276 HydrophobicContact CG2-CB 4.2Å; I81-E276 HydrophobicContact CG2-CG 3.97Å; I81-A279 HydrophobicContact CD1-CB 4.32Å; I81-A279 HydrophobicContact CG2-CB 4.48Å; I81-H280 HydrophobicContact CD1-CB 4.03Å; I81-H280 HydrophobicContact CG1-CB 4.39Å
82	Q	81.5	Confident	66.3	Low	91 Å²	91	87.4 Å²	87.4	43%	0.425	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.9	176.5	-61.9	-174.3	25.2	0	0	109.5	R80 V98	R80-Q82 PolarHBondContact O-N 2.95Å; Q82-V98 PolarHBondContact N-O 3.16Å; Q82-V98 PolarHBondContact O-N 2.87Å
83	I	85.4	Confident	68.5	Low	42 Å²	42	85.1 Å²	85.1	22%	0.215	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.1	-179.8	-70.1	-178.9	0	0	0	110.7	V96 R272 E276	I83-V96 WeakPolarHBondContact CA-O 3.34Å; I83-R272 HydrophobicContact CD1-CG 3.63Å; I83-R272 VanDerWaalsContact CD1-NH2 3.32Å; I83-E276 HydrophobicContact CD1-CG 3.65Å; I83-E276 WeakPolarHBondContact CD1-OE1 3.33Å; I83-E276 HydrophobicContact CG1-CG 4.49Å
84	H	83.4	Confident	71	Confident	59 Å²	59	79.5 Å²	79.5	27%	0.273	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.2	175.6	-53.9	-87.4	0	0	0	108.9	E95 V96 Y104	H84-E95 WeakPolarHBondContact O-CA 3.29Å; H84-V96 HydrophobicContact CB-CG1 3.7Å; H84-V96 PolarHBondContact N-O 3.43Å; H84-V96 VanDerWaalsContact N-O 3.1Å; H84-V96 PolarHBondContact O-N 3.5Å; H84-Y104 HydrophobicContact CB-CD1 4.4Å; H84-Y104 AromaticContact CD2-CG 3.94Å
85	K	82.8	Confident	73.4	Confident	158 Å²	158	78.1 Å²	78.1	69%	0.687	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.3	169.9	-63.2	-166.9	178.5	-157.8	0	108.4	E95	K85-E95 WeakPolarHBondContact CE-OE1 3.21Å; K85-E95 HydrophobicContact CG-CG 4.26Å; K85-E95 IonicContact NZ-OE1 2.75Å; K85-E95 PolarHBondContact NZ-OE1 3.14Å
86	I	80.4	Confident	75.7	Confident	31 Å²	31	70 Å²	70	16%	0.159	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.5	-179.7	-61.4	165.2	0	0	0	107.7	S88 H94 V96 Y104 I107	I86-S88 PolarHBondContact O-N 3.05Å; I86-H94 HydrophobicContact CB-CB 4.14Å; I86-H94 PolarHBondContact N-O 3.32Å; I86-V96 HydrophobicContact CD1-CB 4.25Å; I86-V96 HydrophobicContact CD1-CG1 3.98Å; I86-V96 HydrophobicContact CG1-CG1 4.43Å; I86-Y104 WeakPolarHBondContact CD1-OH 3.41Å; I86-I107 HydrophobicContact CD1-CD1 4.36Å; I86-I107 HydrophobicContact CG2-CD1 4.3Å
87	S	74	Confident	77.7	Confident	122 Å²	122	67.8 Å²	67.8	85%	0.853	35%	0.353	S	S	*	.			trans	-65.3	101.6	176.9	-174.8	0	0	0	0	110.1
88	S	72.5	Confident	79.5	Confident	32 Å²	32	60.7 Å²	60.7	22%	0.224	32%	0.315	C	S	.	.			trans	-102.8	161.8	175.1	50.4	0	0	0	0	111.7	I86 C92 H94	I86-S88 PolarHBondContact O-N 3.05Å; S88-C92 WeakPolarHBondContact CB-O 3.42Å; S88-C92 PolarHBondContact OG-O 3.08Å; S88-H94 PolarHBondContact OG-N 2.88Å
89	P	72.4	Confident	80.9	Confident	60 Å²	60	59.5 Å²	59.5	39%	0.39	31%	0.306	S	S	.	.			trans	-57.6	151.9	170.6	-22.5	34.7	0	0	0	111.8	T91 C92 A124	P89-T91 PolarHBondContact O-N 3.01Å; P89-C92 PolarHBondContact O-N 3.43Å; P89-A124 HydrophobicContact CB-CB 4.05Å; P89-A124 HydrophobicContact CG-CB 3.94Å
90	E	68.6	Low	81.7	Confident	209 Å²	209	60.7 Å²	60.7	98%	0.977	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-19.6	-173.7	-67.2	-176.5	170.6	0	0	115.2
91	T	77	Confident	82.2	Confident	69 Å²	69	57.7 Å²	57.7	42%	0.423	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.3	-178.5	53.8	0	0	0	0	114.9	P89 A124	P89-T91 PolarHBondContact O-N 3.01Å; T91-A124 WeakPolarHBondContact OG1-CB 3.23Å
92	C	84	Confident	82.2	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.054	32%	0.318	C	S	.	.			trans	-143.3	155.7	-178.8	63.9	0	0	0	0	112.2	S88 P89 F125 S290	S88-C92 WeakPolarHBondContact CB-O 3.42Å; S88-C92 PolarHBondContact OG-O 3.08Å; P89-C92 PolarHBondContact O-N 3.43Å; C92-F125 HydrophobicContact CB-CB 4Å; C92-S290 CarbonylContact C-O 3.56Å; C92-S290 VanDerWaalsContact CA-O 3.27Å; C92-S290 WeakPolarHBondContact CA-O 3.48Å; C92-S290 VanDerWaalsContact CB-O 3.26Å; C92-S290 WeakPolarHBondContact CB-O 3.37Å
93	T	87.5	Confident	81.9	Confident	73 Å²	73	62.9 Å²	62.9	45%	0.448	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.6	174	59.9	0	0	0	0	109.7	V289 S290	T93-V289 WeakPolarHBondContact O-CA 3.42Å; T93-S290 PolarHBondContact N-O 3.07Å; T93-S290 PolarHBondContact O-N 2.77Å; T93-S290 WeakPolarHBondContact OG1-CB 3.42Å
94	H	91.7	Very high	81.4	Confident	3 Å²	3	62.9 Å²	62.9	1%	0.014	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.5	176.1	-169.5	171.4	0	0	0	110.1	I86 S88 Q128 C132 H287 V288	I86-H94 HydrophobicContact CB-CB 4.14Å; I86-H94 PolarHBondContact N-O 3.32Å; S88-H94 PolarHBondContact OG-N 2.88Å; H94-Q128 PolarHBondContact ND1-OE1 3.42Å; H94-C132 VanDerWaalsContact CE1-SG 3.51Å; H94-H287 AromaticContact CD2-ND1 3.98Å; H94-H287 AromaticContact CE1-ND1 3.81Å; H94-H287 AromaticContact NE2-CG 3.73Å; H94-H287 AromaticContact NE2-ND1 2.94Å; H94-H287 PolarHBondContact NE2-ND1 3.29Å; H94-V288 WeakPolarHBondContact CA-O 3.48Å
95	E	91.8	Very high	81	Confident	33 Å²	33	68 Å²	68	15%	0.154	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.5	173.7	-54.1	-168.7	154	0	0	109.8	H84 K85 H287 V288	H84-E95 WeakPolarHBondContact O-CA 3.29Å; K85-E95 WeakPolarHBondContact CE-OE1 3.21Å; K85-E95 HydrophobicContact CG-CG 4.26Å; K85-E95 IonicContact NZ-OE1 2.75Å; K85-E95 PolarHBondContact NZ-OE1 3.14Å; E95-H287 CarbonylContact O-C 3.5Å; E95-H287 WeakPolarHBondContact O-CA 3.4Å; E95-V288 PolarHBondContact N-O 3.49Å; E95-V288 PolarHBondContact O-N 3.12Å
96	V	91.7	Very high	80.6	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.8	174.3	60.4	0	0	0	0	110.2	I83 H84 I86 V98 Y104 P285 H287	I83-V96 WeakPolarHBondContact CA-O 3.34Å; H84-V96 HydrophobicContact CB-CG1 3.7Å; H84-V96 PolarHBondContact N-O 3.43Å; H84-V96 VanDerWaalsContact N-O 3.1Å; H84-V96 PolarHBondContact O-N 3.5Å; I86-V96 HydrophobicContact CD1-CB 4.25Å; I86-V96 HydrophobicContact CD1-CG1 3.98Å; I86-V96 HydrophobicContact CG1-CG1 4.43Å; V96-V98 HydrophobicContact CG1-CG2 4.25Å; V96-V98 HydrophobicContact CG2-CG2 3.79Å; V96-Y104 HydrophobicContact CB-CE2 4.39Å; V96-Y104 HydrophobicContact CG1-CD2 3.95Å; V96-Y104 HydrophobicContact CG1-CE2 3.59Å; V96-Y104 HydrophobicContact CG2-CD2 4.49Å; V96-Y104 HydrophobicContact CG2-CE2 4.2Å; V96-P285 HydrophobicContact CG2-CB 4.27Å; V96-H287 VanDerWaalsContact CG2-CE1 3.48Å; V96-H287 WeakPolarHBondContact CG2-CE1 3.14Å; V96-H287 WeakPolarHBondContact CG2-NE2 3.37Å
97	A	90.8	Very high	80.5	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.025	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.6	170.8	0	0	0	0	0	109	I81 A275 E276 A279 P285 C286	I81-A97 HydrophobicContact CG2-CB 3.79Å; A97-A275 HydrophobicContact CB-CB 4.1Å; A97-E276 HydrophobicContact CB-CG 4.33Å; A97-A279 HydrophobicContact CB-CB 4.01Å; A97-P285 WeakPolarHBondContact O-CA 3.29Å; A97-C286 PolarHBondContact N-O 2.95Å; A97-C286 PolarHBondContact O-N 3.06Å
98	V	89.1	Confident	80.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.5	-177	-172.2	0	0	0	0	109.7	Q82 V96 I102 Y104 P285	Q82-V98 PolarHBondContact N-O 3.16Å; Q82-V98 PolarHBondContact O-N 2.87Å; V96-V98 HydrophobicContact CG1-CG2 4.25Å; V96-V98 HydrophobicContact CG2-CG2 3.79Å; V98-I102 HydrophobicContact CG1-CB 4Å; V98-I102 HydrophobicContact CG1-CG2 4.13Å; V98-I102 VanDerWaalsContact CG1-O 3.28Å; V98-I102 WeakPolarHBondContact CG1-O 3.27Å; V98-Y104 HydrophobicContact CG2-CD2 3.78Å; V98-Y104 HydrophobicContact CG2-CG 4.33Å; V98-P285 HydrophobicContact CG2-CB 4.47Å
99	P	86.4	Confident	80.4	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.006	35%	0.354	C	S	.	.			trans	-56.7	148.4	172.4	-23.6	34	0	0	0	112	D101 I102	P99-D101 PolarHBondContact O-N 3.29Å; P99-I102 HydrophobicContact CB-CD1 4.19Å; P99-I102 HydrophobicContact CB-CG1 4.28Å; P99-I102 HydrophobicContact CG-CD1 3.92Å; P99-I102 PolarHBondContact O-N 3.31Å; P99-I102 VanDerWaalsContact O-N 3.16Å
100	P	77.3	Confident	79.8	Confident	56 Å²	56	70.2 Å²	70.2	36%	0.364	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	-174.9	21.5	-32	0	0	0	114.3	R80 I102	R80-P100 WeakPolarHBondContact O-CB 3.44Å; R80-P100 WeakPolarHBondContact O-CD 3.03Å; P100-I102 VanDerWaalsContact C-N 3.32Å
101	D	78.3	Confident	79	Confident	133 Å²	133	66.7 Å²	66.7	71%	0.711	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-8.1	-176.1	-54.2	-49.1	0	0	0	113.2	P99 H283	P99-D101 PolarHBondContact O-N 3.29Å; D101-H283 IonicContact OD2-CE1 2.97Å; D101-H283 PolarHBondContact OD2-CE1 2.9Å
102	I	79.2	Confident	78.4	Confident	53 Å²	53	66 Å²	66	27%	0.272	37%	0.365	S	S	.	.	S	Bend	trans	-108.5	119.7	-175.5	-58.1	-178.8	0	0	0	109.3	V98 P99 P100 Y104	V98-I102 HydrophobicContact CG1-CB 4Å; V98-I102 HydrophobicContact CG1-CG2 4.13Å; V98-I102 VanDerWaalsContact CG1-O 3.28Å; V98-I102 WeakPolarHBondContact CG1-O 3.27Å; P99-I102 HydrophobicContact CB-CD1 4.19Å; P99-I102 HydrophobicContact CB-CG1 4.28Å; P99-I102 HydrophobicContact CG-CD1 3.92Å; P99-I102 PolarHBondContact O-N 3.31Å; P99-I102 VanDerWaalsContact O-N 3.16Å; P100-I102 VanDerWaalsContact C-N 3.32Å; I102-Y104 PolarHBondContact O-N 3.26Å
103	E	75.2	Confident	78	Confident	174 Å²	174	75.1 Å²	75.1	81%	0.813	40%	0.404	S	S	*	.			trans	-69	125.5	170.5	-169.7	178.3	-175.3	0	0	109.9	K105	E103-K105 PolarHBondContact O-N 3.43Å; E103-K105 VanDerWaalsContact O-N 3.12Å
104	Y	75.9	Confident	77.6	Confident	42 Å²	42	75 Å²	75	17%	0.165	41%	0.405	C	S	.	.			trans	-64.4	114.1	178.4	175.8	-112	0	0	0	110.8	H84 I86 V96 V98 I102 P106	H84-Y104 HydrophobicContact CB-CD1 4.4Å; H84-Y104 AromaticContact CD2-CG 3.94Å; I86-Y104 WeakPolarHBondContact CD1-OH 3.41Å; V96-Y104 HydrophobicContact CB-CE2 4.39Å; V96-Y104 HydrophobicContact CG1-CD2 3.95Å; V96-Y104 HydrophobicContact CG1-CE2 3.59Å; V96-Y104 HydrophobicContact CG2-CD2 4.49Å; V96-Y104 HydrophobicContact CG2-CE2 4.2Å; V98-Y104 HydrophobicContact CG2-CD2 3.78Å; V98-Y104 HydrophobicContact CG2-CG 4.33Å; I102-Y104 PolarHBondContact O-N 3.26Å; Y104-P106 HydrophobicContact CE1-CB 4.44Å; Y104-P106 HydrophobicContact CE1-CG 4.46Å
105	K	74.6	Confident	77.1	Confident	166 Å²	166	76.2 Å²	76.2	72%	0.722	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-86	121.4	168.4	-66.3	-179.8	-177.2	175.3	0	108.7	E103 I107	E103-K105 PolarHBondContact O-N 3.43Å; E103-K105 VanDerWaalsContact O-N 3.12Å; K105-I107 PolarHBondContact O-N 3.34Å
106	P	74.4	Confident	76.8	Confident	98 Å²	98	76.8 Å²	76.8	64%	0.636	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-55.3	135.5	175	-24.3	33.4	0	0	0	111.2	Y104 T108	Y104-P106 HydrophobicContact CE1-CB 4.44Å; Y104-P106 HydrophobicContact CE1-CG 4.46Å; P106-T108 PolarHBondContact O-N 3.42Å
107	I	78.1	Confident	76.5	Confident	33 Å²	33	82.2 Å²	82.2	17%	0.169	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-57.5	124.3	176.6	48.1	170.4	0	0	0	110.7	I86 K105 I131 N135	I86-I107 HydrophobicContact CD1-CD1 4.36Å; I86-I107 HydrophobicContact CG2-CD1 4.3Å; K105-I107 PolarHBondContact O-N 3.34Å; I107-I131 HydrophobicContact CB-CG2 3.98Å; I107-I131 HydrophobicContact CD1-CG2 3.89Å; I107-I131 HydrophobicContact CG1-CG2 4.33Å; I107-N135 HydrophobicContact CG2-CB 4.49Å
108	T	75.6	Confident	76.3	Confident	74 Å²	74	83.9 Å²	83.9	45%	0.454	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-87.9	132.1	172.8	52	0	0	0	0	109.3	P106 D110 N135	P106-T108 PolarHBondContact O-N 3.42Å; T108-D110 VanDerWaalsContact C-N 3.29Å; T108-D110 PolarHBondContact O-N 2.71Å; T108-D110 PolarHBondContact OG1-OD1 3.38Å; T108-D110 VanDerWaalsContact OG1-OD1 3.13Å; T108-N135 PolarHBondContact N-OD1 3.33Å; T108-N135 VanDerWaalsContact N-OD1 3.16Å; T108-N135 PolarHBondContact O-ND2 3.48Å; T108-N135 PolarHBondContact OG1-OD1 3.41Å
109	K	67.9	Low	76.1	Confident	144 Å²	144	90.1 Å²	90.1	63%	0.626	50%	0.498	S	S	*	.			trans	-75.8	90.3	163.8	-72.6	-173.6	179.9	-176.1	0	107.2	C111 I131	K109-C111 PolarHBondContact O-N 3.46Å; K109-I131 HydrophobicContact CD-CD1 4.18Å; K109-I131 HydrophobicContact CG-CD1 3.81Å; K109-I131 HydrophobicContact CG-CG1 4.2Å; K109-I131 HydrophobicContact CG-CG2 4.48Å
110	D	61.1	Low	76	Confident	101 Å²	101	94.8 Å²	94.8	54%	0.54	52%	0.518	S	S	.	.			trans	-60.6	126.6	174.5	-81.2	0.2	0	0	0	109.5	T108 G112	T108-D110 VanDerWaalsContact C-N 3.29Å; T108-D110 PolarHBondContact O-N 2.71Å; T108-D110 PolarHBondContact OG1-OD1 3.38Å; T108-D110 VanDerWaalsContact OG1-OD1 3.13Å; D110-G112 PolarHBondContact O-N 3.04Å
111	C	52.3	Low	76.4	Confident	135 Å²	135	97.9 Å²	97.9	91%	0.912	54%	0.536	S	S	*	.			trans	-84	21.7	176	-64.4	0	0	0	0	112.2	K109	K109-C111 PolarHBondContact O-N 3.46Å
112	G	64.1	Low	76.8	Confident	56 Å²	56	93.5 Å²	93.5	58%	0.577	51%	0.512	S	S	*	.	S	Bend	trans	-70.5	176.8	177.7	0	0	0	0	0	112.9	D110	D110-G112 PolarHBondContact O-N 3.04Å
113	F	74.2	Confident	77.2	Confident	198 Å²	198	93 Å²	93	87%	0.868	51%	0.51	S	S	*	.			trans	-67.7	125	171	-68.7	-81.2	0	0	0	109.4
114	P	80.6	Confident	77.8	Confident	72 Å²	72	85.8 Å²	85.8	47%	0.468	48%	0.48	S	S	.	.			trans	-60.7	141	178.6	26.2	-34.4	0	0	0	109.7	K116 T117 Y155	P114-K116 PolarHBondContact O-N 3.5Å; P114-T117 HydrophobicContact CG-CG2 3.77Å; P114-Y155 HydrophobicContact CB-CE2 4.33Å
115	A	81.2	Confident	78.6	Confident	27 Å²	27	84.1 Å²	84.1	22%	0.223	47%	0.474	C	S	.	.	S	Bend	trans	-59.8	-30.8	-179.8	0	0	0	0	0	112.4	Y155 A158 T159	A115-Y155 HydrophobicContact CB-CD2 4.47Å; A115-Y155 HydrophobicContact CB-CE1 4.3Å; A115-Y155 HydrophobicContact CB-CE2 3.94Å; A115-Y155 PolarHBondContact N-OH 3.43Å; A115-A158 HydrophobicContact CB-CB 3.91Å; A115-T159 WeakPolarHBondContact CB-OG1 3.49Å
116	K	85.9	Confident	79.4	Confident	46 Å²	46	76.2 Å²	76.2	20%	0.2	44%	0.439	C	S	.	.	S	Bend	trans	-147.4	138.8	174.6	-168.6	172.9	-174.4	-179.7	0	110.5	P114 F118 E154 Y155 A158 F188	P114-K116 PolarHBondContact O-N 3.5Å; K116-F118 HydrophobicContact CB-CE2 4.48Å; K116-F118 HydrophobicContact CB-CZ 4.46Å; K116-F118 HydrophobicContact CD-CE1 4.12Å; K116-F118 HydrophobicContact CD-CZ 3.99Å; K116-F118 HydrophobicContact CG-CZ 4.25Å; K116-E154 HydrophobicContact CD-CB 4.32Å; K116-E154 IonicContact NZ-OE2 2.72Å; K116-E154 PolarHBondContact NZ-OE2 3.35Å; K116-Y155 HydrophobicContact CB-CD2 4.45Å; K116-A158 HydrophobicContact CB-CB 3.84Å; K116-F188 HydrophobicContact CD-CZ 4.41Å
117	T	84.5	Confident	80.1	Confident	115 Å²	115	75.5 Å²	75.5	71%	0.706	43%	0.428	S	S	*	.			trans	-102	135.6	173.4	54	0	0	0	0	110.7	P114	P114-T117 HydrophobicContact CG-CG2 3.77Å
118	F	87.1	Confident	80.8	Confident	38 Å²	38	74.8 Å²	74.8	17%	0.167	42%	0.423	C	S	.	.			trans	-106	149.8	178.7	-62.5	-83.4	0	0	0	111.1	K116 F120 L122 V151 E154 Y155	K116-F118 HydrophobicContact CB-CE2 4.48Å; K116-F118 HydrophobicContact CB-CZ 4.46Å; K116-F118 HydrophobicContact CD-CE1 4.12Å; K116-F118 HydrophobicContact CD-CZ 3.99Å; K116-F118 HydrophobicContact CG-CZ 4.25Å; F118-F120 HydrophobicContact CB-CE1 4.19Å; F118-F120 HydrophobicContact CB-CE2 4.19Å; F118-F120 HydrophobicContact CB-CZ 4.01Å; F118-F120 HydrophobicContact CD1-CE1 4.37Å; F118-F120 AromaticContact CD1-CZ 3.97Å; F118-F120 HydrophobicContact CD1-CZ 3.97Å; F118-F120 HydrophobicContact CG-CZ 4.2Å; F118-F120 PolarHBondContact O-N 2.9Å; F118-L122 HydrophobicContact CB-CD2 4.49Å; F118-L122 HydrophobicContact CD2-CD2 3.9Å; F118-L122 HydrophobicContact CE2-CD2 4.49Å; F118-L122 HydrophobicContact CG-CD2 4.32Å; F118-V151 HydrophobicContact CD1-CG1 4.2Å; F118-V151 HydrophobicContact CD2-CG1 4.05Å; F118-V151 HydrophobicContact CE1-CG1 3.84Å; F118-V151 HydrophobicContact CE2-CG1 3.68Å; F118-V151 HydrophobicContact CG-CG1 4.3Å; F118-V151 HydrophobicContact CZ-CB 4.49Å; F118-V151 HydrophobicContact CZ-CG1 3.57Å; F118-E154 HydrophobicContact CE1-CB 4.36Å; F118-E154 WeakPolarHBondContact CE1-OE2 3.41Å; F118-E154 HydrophobicContact CZ-CB 4.22Å; F118-Y155 HydrophobicContact CE2-CD2 4.38Å
119	P	84.7	Confident	81.6	Confident	131 Å²	131	71.2 Å²	71.2	85%	0.851	40%	0.402	S	S	*	.	S	Bend	trans	-76.2	-0.8	-179.1	30	-33.4	0	0	0	114
120	F	84.8	Confident	82.7	Confident	98 Å²	98	65.1 Å²	65.1	43%	0.43	38%	0.376	S	S	.	.	S	Bend	trans	-128.5	160.3	-177.5	51.6	-96.4	0	0	0	111.2	F118 L122 V151	F118-F120 HydrophobicContact CB-CE1 4.19Å; F118-F120 HydrophobicContact CB-CE2 4.19Å; F118-F120 HydrophobicContact CB-CZ 4.01Å; F118-F120 HydrophobicContact CD1-CE1 4.37Å; F118-F120 AromaticContact CD1-CZ 3.97Å; F118-F120 HydrophobicContact CD1-CZ 3.97Å; F118-F120 HydrophobicContact CG-CZ 4.2Å; F118-F120 PolarHBondContact O-N 2.9Å; F120-L122 HydrophobicContact CE2-CD2 4.05Å; F120-V151 HydrophobicContact CE2-CG2 4.05Å; F120-V151 HydrophobicContact CZ-CG2 3.75Å
121	T	85.3	Confident	84.2	Confident	122 Å²	122	61 Å²	61	75%	0.748	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-72	129.1	174.6	-51.5	0	0	0	0	110.1
122	L	86.4	Confident	86.1	Confident	40 Å²	40	54.6 Å²	54.6	21%	0.209	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72.3	137.5	179.7	-64	174.3	0	0	0	111.1	F118 F120 Q126 Q127 I130 V151	F118-L122 HydrophobicContact CB-CD2 4.49Å; F118-L122 HydrophobicContact CD2-CD2 3.9Å; F118-L122 HydrophobicContact CE2-CD2 4.49Å; F118-L122 HydrophobicContact CG-CD2 4.32Å; F120-L122 HydrophobicContact CE2-CD2 4.05Å; L122-Q126 HydrophobicContact CB-CB 4.28Å; L122-Q126 HydrophobicContact CD2-CB 4.43Å; L122-Q127 HydrophobicContact CB-CG 3.66Å; L122-Q127 HydrophobicContact CD1-CG 4.38Å; L122-Q127 PolarHBondContact O-NE2 3.44Å; L122-I130 HydrophobicContact CD1-CD1 3.64Å; L122-V151 HydrophobicContact CD2-CG1 3.55Å
123	D	87.7	Confident	87.4	Confident	44 Å²	44	52 Å²	52	24%	0.235	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.4	154.5	173	-62.6	-32.2	0	0	0	110	F125 Q126 Q127 R508	D123-F125 VanDerWaalsContact C-N 3.28Å; D123-F125 HydrophobicContact CB-CD1 3.76Å; D123-F125 HydrophobicContact CB-CE1 3.49Å; D123-F125 VanDerWaalsContact CB-CE1 3.49Å; D123-F125 HydrophobicContact CB-CZ 4.22Å; D123-F125 PolarHBondContact O-N 2.75Å; D123-Q126 HydrophobicContact CB-CG 4.17Å; D123-Q126 WeakPolarHBondContact O-CB 3.48Å; D123-Q126 PolarHBondContact O-N 2.96Å; D123-Q127 PolarHBondContact O-N 2.88Å; D123-R508 IonicContact OD1-NH2 2.69Å; D123-R508 PolarHBondContact OD1-NH2 3.48Å; D123-R508 IonicContact OD2-CZ 3.83Å; D123-R508 IonicContact OD2-NH1 3.91Å; D123-R508 PolarHBondContact OD2-NH1 2.98Å; D123-R508 IonicContact OD2-NH2 3.02Å; D123-R508 PolarHBondContact OD2-NH2 3.23Å
124	A	88.5	Confident	88.2	Confident	21 Å²	21	44.6 Å²	44.6	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-54.4	-41.7	-176	0	0	0	0	0	113.3	P89 T91 Q126 Q127 Q128	P89-A124 HydrophobicContact CB-CB 4.05Å; P89-A124 HydrophobicContact CG-CB 3.94Å; T91-A124 WeakPolarHBondContact OG1-CB 3.23Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 3.16Å; A124-Q127 PolarHBondContact O-N 3.12Å; A124-Q128 WeakPolarHBondContact O-CG 3.37Å; A124-Q128 PolarHBondContact O-N 3.06Å; A124-Q128 VanDerWaalsContact O-N 3.1Å
125	F	90.9	Very high	88.7	Confident	7 Å²	7	43.1 Å²	43.1	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-34.2	177.6	74.7	-97.1	0	0	0	112.5	C92 D123 Q128 A129 L141 A143 A147 V289	C92-F125 HydrophobicContact CB-CB 4Å; D123-F125 VanDerWaalsContact C-N 3.28Å; D123-F125 HydrophobicContact CB-CD1 3.76Å; D123-F125 HydrophobicContact CB-CE1 3.49Å; D123-F125 VanDerWaalsContact CB-CE1 3.49Å; D123-F125 HydrophobicContact CB-CZ 4.22Å; D123-F125 PolarHBondContact O-N 2.75Å; F125-Q128 PolarHBondContact O-N 3.33Å; F125-A129 WeakPolarHBondContact O-CB 3.44Å; F125-A129 PolarHBondContact O-N 2.84Å; F125-L141 HydrophobicContact CB-CD1 4.41Å; F125-L141 HydrophobicContact CD2-CD1 3.41Å; F125-L141 VanDerWaalsContact CD2-CD1 3.41Å; F125-L141 HydrophobicContact CD2-CD2 4.11Å; F125-L141 HydrophobicContact CD2-CG 4.35Å; F125-L141 HydrophobicContact CE2-CD1 4.05Å; F125-L141 HydrophobicContact CE2-CD2 3.96Å; F125-L141 HydrophobicContact CG-CD1 4.28Å; F125-A143 HydrophobicContact CE2-CB 4.45Å; F125-A147 HydrophobicContact CZ-CB 4.06Å; F125-A147 WeakPolarHBondContact CZ-O 3.42Å; F125-V289 HydrophobicContact CB-CG1 3.77Å
126	Q	91.9	Very high	89.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-43.7	178	-63.6	174.1	-32	0	0	110.2	L122 D123 A124 Q128 A129 I130 G148 V152	L122-Q126 HydrophobicContact CB-CB 4.28Å; L122-Q126 HydrophobicContact CD2-CB 4.43Å; D123-Q126 HydrophobicContact CB-CG 4.17Å; D123-Q126 WeakPolarHBondContact O-CB 3.48Å; D123-Q126 PolarHBondContact O-N 2.96Å; A124-Q126 VanDerWaalsContact C-N 3.34Å; A124-Q126 PolarHBondContact O-N 3.16Å; Q126-Q128 PolarHBondContact O-N 2.84Å; Q126-A129 PolarHBondContact O-N 2.84Å; Q126-I130 WeakPolarHBondContact O-CB 3.49Å; Q126-I130 VanDerWaalsContact O-CG1 3.29Å; Q126-I130 WeakPolarHBondContact O-CG1 3.42Å; Q126-I130 PolarHBondContact O-N 2.83Å; Q126-G148 PolarHBondContact NE2-O 3.37Å; Q126-V152 HydrophobicContact CB-CG2 4.41Å; Q126-V152 HydrophobicContact CG-CG2 4.46Å
127	Q	90.4	Very high	89.5	Confident	83 Å²	83	44.9 Å²	44.9	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-44.9	176.2	-63.3	179.2	27	0	0	111.5	L122 D123 A124 I130 I131	L122-Q127 HydrophobicContact CB-CG 3.66Å; L122-Q127 HydrophobicContact CD1-CG 4.38Å; L122-Q127 PolarHBondContact O-NE2 3.44Å; D123-Q127 PolarHBondContact O-N 2.88Å; A124-Q127 PolarHBondContact O-N 3.12Å; Q127-I130 PolarHBondContact O-N 3.38Å; Q127-I131 WeakPolarHBondContact O-CD1 3.22Å; Q127-I131 WeakPolarHBondContact O-CG1 3.32Å; Q127-I131 PolarHBondContact O-N 3.05Å
128	Q	90.9	Very high	90.1	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-43.9	178.1	-69.6	-65	-26.2	0	0	112.1	H94 A124 F125 Q126 I131 C132 V289	H94-Q128 PolarHBondContact ND1-OE1 3.42Å; A124-Q128 WeakPolarHBondContact O-CG 3.37Å; A124-Q128 PolarHBondContact O-N 3.06Å; A124-Q128 VanDerWaalsContact O-N 3.1Å; F125-Q128 PolarHBondContact O-N 3.33Å; Q126-Q128 PolarHBondContact O-N 2.84Å; Q128-I131 PolarHBondContact O-N 2.76Å; Q128-C132 PolarHBondContact O-N 2.96Å; Q128-C132 PolarHBondContact O-SG 3.42Å; Q128-V289 HydrophobicContact CB-CG1 4.25Å; Q128-V289 HydrophobicContact CB-CG2 4.26Å
129	A	92.6	Very high	90.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-40	177.3	0	0	0	0	0	112.4	F125 Q126 I131 C132 I133 V139 V152	F125-A129 WeakPolarHBondContact O-CB 3.44Å; F125-A129 PolarHBondContact O-N 2.84Å; Q126-A129 PolarHBondContact O-N 2.84Å; A129-I131 PolarHBondContact O-N 2.98Å; A129-C132 WeakPolarHBondContact O-CB 3.31Å; A129-C132 PolarHBondContact O-N 3.22Å; A129-I133 WeakPolarHBondContact O-CG1 3.29Å; A129-I133 PolarHBondContact O-N 2.67Å; A129-I133 VanDerWaalsContact O-N 3.12Å; A129-V139 HydrophobicContact CB-CG2 4.19Å; A129-V152 HydrophobicContact CB-CB 4.48Å; A129-V152 HydrophobicContact CB-CG1 3.73Å; A129-V152 HydrophobicContact CB-CG2 3.84Å
130	I	92.7	Very high	91.1	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.077	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-42.7	175.8	-76.5	166.6	0	0	0	111.5	L122 Q126 Q127 C132 I133 D134 Y155	L122-I130 HydrophobicContact CD1-CD1 3.64Å; Q126-I130 WeakPolarHBondContact O-CB 3.49Å; Q126-I130 VanDerWaalsContact O-CG1 3.29Å; Q126-I130 WeakPolarHBondContact O-CG1 3.42Å; Q126-I130 PolarHBondContact O-N 2.83Å; Q127-I130 PolarHBondContact O-N 3.38Å; I130-C132 VanDerWaalsContact C-N 3.26Å; I130-C132 PolarHBondContact O-N 2.71Å; I130-I133 WeakPolarHBondContact O-CB 3.31Å; I130-I133 PolarHBondContact O-N 2.78Å; I130-I133 VanDerWaalsContact O-N 3.08Å; I130-D134 PolarHBondContact O-N 2.89Å; I130-Y155 HydrophobicContact CB-CD1 4.28Å; I130-Y155 HydrophobicContact CB-CE1 4.43Å; I130-Y155 HydrophobicContact CD1-CD2 4.15Å; I130-Y155 HydrophobicContact CD1-CG 4.15Å; I130-Y155 HydrophobicContact CG1-CD1 3.92Å; I130-Y155 HydrophobicContact CG1-CD2 4.18Å; I130-Y155 HydrophobicContact CG1-CG 3.75Å; I130-Y155 HydrophobicContact CG2-CD1 3.86Å; I130-Y155 HydrophobicContact CG2-CD2 4.18Å; I130-Y155 HydrophobicContact CG2-CE1 3.57Å; I130-Y155 HydrophobicContact CG2-CE2 3.89Å; I130-Y155 HydrophobicContact CG2-CG 4.17Å
131	I	90.9	Very high	91.6	Very high	16 Å²	16	26.7 Å²	26.7	8%	0.082	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-38.7	176.5	-65.9	158.4	0	0	0	110.8	I107 K109 Q127 Q128 A129 I133 D134 N135	I107-I131 HydrophobicContact CB-CG2 3.98Å; I107-I131 HydrophobicContact CD1-CG2 3.89Å; I107-I131 HydrophobicContact CG1-CG2 4.33Å; K109-I131 HydrophobicContact CD-CD1 4.18Å; K109-I131 HydrophobicContact CG-CD1 3.81Å; K109-I131 HydrophobicContact CG-CG1 4.2Å; K109-I131 HydrophobicContact CG-CG2 4.48Å; Q127-I131 WeakPolarHBondContact O-CD1 3.22Å; Q127-I131 WeakPolarHBondContact O-CG1 3.32Å; Q127-I131 PolarHBondContact O-N 3.05Å; Q128-I131 PolarHBondContact O-N 2.76Å; A129-I131 PolarHBondContact O-N 2.98Å; I131-I133 VanDerWaalsContact C-N 3.33Å; I131-I133 PolarHBondContact O-N 3.42Å; I131-D134 PolarHBondContact O-N 3.44Å; I131-N135 PolarHBondContact O-N 2.87Å; I131-N135 VanDerWaalsContact O-N 3.12Å; I131-N135 PolarHBondContact O-ND2 3.01Å
132	C	92	Very high	92	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-42	175.8	-56.3	0	0	0	0	111.5	H94 Q128 A129 I130 N135 N136 Q137 V139 H287	H94-C132 VanDerWaalsContact CE1-SG 3.51Å; Q128-C132 PolarHBondContact O-N 2.96Å; Q128-C132 PolarHBondContact O-SG 3.42Å; A129-C132 WeakPolarHBondContact O-CB 3.31Å; A129-C132 PolarHBondContact O-N 3.22Å; I130-C132 VanDerWaalsContact C-N 3.26Å; I130-C132 PolarHBondContact O-N 2.71Å; C132-N135 CarbonylContact O-C 3.55Å; C132-N135 PolarHBondContact O-N 2.98Å; C132-N136 PolarHBondContact O-N 3.38Å; C132-Q137 PolarHBondContact O-N 3.29Å; C132-V139 HydrophobicContact CB-CB 4.16Å; C132-V139 HydrophobicContact CB-CG2 4.48Å; C132-H287 HydrophobicContact CB-CB 4.43Å; C132-H287 VanDerWaalsContact SG-CG 3.58Å
133	I	92.4	Very high	92.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-43.6	178.1	-66.5	161.9	0	0	0	111.2	A129 I130 I131 N135 N136 V139 V152 Y155 A156 T159 W230 V262	A129-I133 WeakPolarHBondContact O-CG1 3.29Å; A129-I133 PolarHBondContact O-N 2.67Å; A129-I133 VanDerWaalsContact O-N 3.12Å; I130-I133 WeakPolarHBondContact O-CB 3.31Å; I130-I133 PolarHBondContact O-N 2.78Å; I130-I133 VanDerWaalsContact O-N 3.08Å; I131-I133 VanDerWaalsContact C-N 3.33Å; I131-I133 PolarHBondContact O-N 3.42Å; I133-N135 PolarHBondContact O-N 3.41Å; I133-N136 WeakPolarHBondContact O-CA 3.39Å; I133-N136 PolarHBondContact O-N 2.86Å; I133-V139 HydrophobicContact CD1-CG1 4.45Å; I133-V139 HydrophobicContact CG1-CG1 4.15Å; I133-V152 HydrophobicContact CD1-CG1 3.6Å; I133-Y155 HydrophobicContact CB-CD1 4.31Å; I133-Y155 HydrophobicContact CD1-CD1 4.42Å; I133-Y155 HydrophobicContact CG2-CD1 3.97Å; I133-Y155 HydrophobicContact CG2-CE1 4.2Å; I133-A156 HydrophobicContact CD1-CB 4.01Å; I133-A156 HydrophobicContact CG2-CB 4.42Å; I133-T159 HydrophobicContact CG2-CG2 4.2Å; I133-W230 HydrophobicContact CB-CH2 4.28Å; I133-W230 HydrophobicContact CG1-CH2 4.24Å; I133-W230 HydrophobicContact CG1-CZ3 4.29Å; I133-W230 HydrophobicContact CG2-CH2 3.98Å; I133-W230 HydrophobicContact CG2-CZ2 4.15Å; I133-V262 HydrophobicContact CD1-CG2 4.17Å; I133-V262 HydrophobicContact CG1-CG2 4.29Å
134	D	91.9	Very high	92	Very high	43 Å²	43	18.9 Å²	18.9	23%	0.23	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-33.8	175.9	-75.9	-35.2	0	0	0	111.9	I130 I131 N136 Y155	I130-D134 PolarHBondContact O-N 2.89Å; I131-D134 PolarHBondContact O-N 3.44Å; D134-N136 PolarHBondContact O-N 3.06Å; D134-Y155 VanDerWaalsContact CG-OH 3.25Å; D134-Y155 VanDerWaalsContact OD1-CE1 3.29Å; D134-Y155 WeakPolarHBondContact OD1-CE1 3.43Å; D134-Y155 PolarHBondContact OD1-OH 2.84Å; D134-Y155 PolarHBondContact OD2-OH 2.96Å; D134-Y155 VanDerWaalsContact OD2-OH 3.11Å
135	N	90.4	Very high	91.6	Very high	41 Å²	41	18.3 Å²	18.3	22%	0.219	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	6.6	174.1	-76.3	-97	0	0	0	113.4	I107 T108 I131 C132 I133 Q137	I107-N135 HydrophobicContact CG2-CB 4.49Å; T108-N135 PolarHBondContact N-OD1 3.33Å; T108-N135 VanDerWaalsContact N-OD1 3.16Å; T108-N135 PolarHBondContact O-ND2 3.48Å; T108-N135 PolarHBondContact OG1-OD1 3.41Å; I131-N135 PolarHBondContact O-N 2.87Å; I131-N135 VanDerWaalsContact O-N 3.12Å; I131-N135 PolarHBondContact O-ND2 3.01Å; C132-N135 CarbonylContact O-C 3.55Å; C132-N135 PolarHBondContact O-N 2.98Å; I133-N135 PolarHBondContact O-N 3.41Å; N135-Q137 VanDerWaalsContact C-N 3.25Å; N135-Q137 HydrophobicContact CB-CG 4.45Å; N135-Q137 PolarHBondContact O-N 2.85Å
136	N	91.1	Very high	90.9	Very high	81 Å²	81	19.7 Å²	19.7	43%	0.433	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	37	-179.1	-158.9	27.1	0	0	0	113.3	C132 I133 D134 W230 R260	C132-N136 PolarHBondContact O-N 3.38Å; I133-N136 WeakPolarHBondContact O-CA 3.39Å; I133-N136 PolarHBondContact O-N 2.86Å; D134-N136 PolarHBondContact O-N 3.06Å; N136-W230 WeakPolarHBondContact OD1-CZ2 3.47Å; N136-R260 WeakPolarHBondContact O-CD 3.33Å; N136-R260 PolarHBondContact O-NE 3.44Å; N136-R260 VanDerWaalsContact O-NE 3.08Å
137	Q	93.2	Very high	90.3	Very high	28 Å²	28	19.7 Å²	19.7	13%	0.131	10%	0.103	C	C	.	.			trans	-113.6	145.4	-179.6	-71.9	171.8	-26.5	0	0	111	C132 N135 P285 H287	C132-Q137 PolarHBondContact O-N 3.29Å; N135-Q137 VanDerWaalsContact C-N 3.25Å; N135-Q137 HydrophobicContact CB-CG 4.45Å; N135-Q137 PolarHBondContact O-N 2.85Å; Q137-P285 HydrophobicContact CG-CB 4.43Å; Q137-H287 PolarHBondContact OE1-CE1 3.11Å; Q137-H287 PolarHBondContact OE1-NE2 3.32Å
138	S	96.2	Very high	90.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	145.7	-178.9	-66.8	0	0	0	0	111.3	Y261 Q284 C286 H287	S138-Y261 CarbonylContact C-O 3.57Å; S138-Y261 VanDerWaalsContact CA-O 3.26Å; S138-Y261 WeakPolarHBondContact CA-O 3.46Å; S138-Y261 WeakPolarHBondContact OG-CD2 3.46Å; S138-Y261 PolarHBondContact OG-N 3.32Å; S138-Q284 PolarHBondContact OG-OE1 3.16Å; S138-C286 WeakPolarHBondContact O-CA 3.19Å; S138-H287 PolarHBondContact O-CD2 2.96Å; S138-H287 PolarHBondContact O-N 2.99Å
139	V	96.2	Very high	90	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.7	-176.7	61.6	0	0	0	0	112.7	A129 C132 I133 Y261 V262 F263 H287 V289	A129-V139 HydrophobicContact CB-CG2 4.19Å; C132-V139 HydrophobicContact CB-CB 4.16Å; C132-V139 HydrophobicContact CB-CG2 4.48Å; I133-V139 HydrophobicContact CD1-CG1 4.45Å; I133-V139 HydrophobicContact CG1-CG1 4.15Å; V139-Y261 PolarHBondContact N-O 3.21Å; V139-V262 HydrophobicContact CG1-CG1 4.37Å; V139-V262 HydrophobicContact CG1-CG2 4.15Å; V139-V262 CarbonylContact O-C 3.55Å; V139-V262 WeakPolarHBondContact O-CA 3.44Å; V139-F263 PolarHBondContact O-N 3.42Å; V139-H287 CarbonylContact C-O 3.54Å; V139-H287 WeakPolarHBondContact CA-O 3.45Å; V139-H287 HydrophobicContact CB-CB 4.26Å; V139-H287 HydrophobicContact CG2-CB 4.11Å; V139-V289 HydrophobicContact CG2-CG2 4.05Å
140	L	96.8	Very high	89.8	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.2	164.6	171.5	65.7	0	0	0	109.5	I236 F263 A271 F274 H287 V288 V289	L140-I236 HydrophobicContact CD1-CG2 3.99Å; L140-F263 HydrophobicContact CB-CB 4.2Å; L140-F263 HydrophobicContact CB-CD2 4.46Å; L140-F263 HydrophobicContact CD1-CB 3.45Å; L140-F263 VanDerWaalsContact CD1-CB 3.45Å; L140-F263 HydrophobicContact CD1-CG 4.45Å; L140-F263 HydrophobicContact CG-CB 4.42Å; L140-A271 HydrophobicContact CD2-CB 3.67Å; L140-F274 HydrophobicContact CD2-CB 4.47Å; L140-F274 HydrophobicContact CD2-CD1 3.83Å; L140-H287 PolarHBondContact N-O 3.35Å; L140-V288 HydrophobicContact CD2-CG2 4.4Å; L140-V288 WeakPolarHBondContact O-CA 3.43Å; L140-V289 PolarHBondContact O-N 3.11Å
141	L	95.4	Very high	89.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.2	172.6	178.8	65.2	0	0	0	110.4	F125 A143 K149 V152 F263 L264 S265 V289	F125-L141 HydrophobicContact CB-CD1 4.41Å; F125-L141 HydrophobicContact CD2-CD1 3.41Å; F125-L141 VanDerWaalsContact CD2-CD1 3.41Å; F125-L141 HydrophobicContact CD2-CD2 4.11Å; F125-L141 HydrophobicContact CD2-CG 4.35Å; F125-L141 HydrophobicContact CE2-CD1 4.05Å; F125-L141 HydrophobicContact CE2-CD2 3.96Å; F125-L141 HydrophobicContact CG-CD1 4.28Å; L141-A143 HydrophobicContact CD1-CB 4.43Å; L141-A143 HydrophobicContact CG-CB 4.45Å; L141-K149 HydrophobicContact CD2-CB 3.99Å; L141-K149 HydrophobicContact CD2-CD 4.44Å; L141-K149 HydrophobicContact CD2-CG 3.83Å; L141-K149 HydrophobicContact CG-CG 4.49Å; L141-V152 HydrophobicContact CD2-CB 4.44Å; L141-V152 HydrophobicContact CD2-CG2 3.98Å; L141-F263 PolarHBondContact N-O 2.93Å; L141-L264 HydrophobicContact CB-CD2 4.13Å; L141-L264 HydrophobicContact CD2-CD2 4.07Å; L141-S265 PolarHBondContact O-N 3.06Å; L141-V289 WeakPolarHBondContact CA-O 3.42Å; L141-V289 HydrophobicContact CD1-CB 4.18Å; L141-V289 HydrophobicContact CD1-CG1 4.15Å
142	S	93	Very high	90	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	100.9	174	-168.2	0	0	0	0	110.3	A266 T267 I268 V289 S290 S291	S142-A266 PolarHBondContact OG-O 3.16Å; S142-T267 VanDerWaalsContact OG-CA 3.31Å; S142-T267 WeakPolarHBondContact OG-CA 3.3Å; S142-I268 PolarHBondContact OG-N 3.5Å; S142-V289 PolarHBondContact N-O 3.19Å; S142-S290 CarbonylContact O-C 3.55Å; S142-S290 VanDerWaalsContact O-CA 3.29Å; S142-S290 WeakPolarHBondContact O-CA 3.22Å; S142-S291 PolarHBondContact O-N 3.31Å
143	A	90.4	Very high	90.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.1	-179	0	0	0	0	0	111.2	F125 L141 A147 K149 S265 A266	F125-A143 HydrophobicContact CE2-CB 4.45Å; L141-A143 HydrophobicContact CD1-CB 4.43Å; L141-A143 HydrophobicContact CG-CB 4.45Å; A143-A147 HydrophobicContact CB-CB 3.9Å; A143-K149 HydrophobicContact CB-CD 4.39Å; A143-K149 HydrophobicContact CB-CG 4.27Å; A143-K149 PolarHBondContact O-NZ 2.91Å; A143-S265 PolarHBondContact N-O 3.42Å; A143-A266 WeakPolarHBondContact O-CA 3.49Å
144	H	84.4	Confident	90.2	Very high	40 Å²	40	19.1 Å²	19.1	19%	0.185	11%	0.109	C	C	.	.			trans	-49.5	154.8	179.4	-69.8	89	0	0	0	113.5	A147 K149 S291 D292	H144-A147 WeakPolarHBondContact O-CB 3.42Å; H144-A147 PolarHBondContact O-N 2.94Å; H144-K149 PolarHBondContact O-NZ 3.44Å; H144-K149 VanDerWaalsContact O-NZ 3.12Å; H144-S291 PolarHBondContact ND1-O 3.35Å; H144-D292 PolarHBondContact CE1-O 2.98Å; H144-D292 PolarHBondContact ND1-O 3.06Å
145	T	79.9	Confident	90.3	Very high	8 Å²	8	17.4 Å²	17.4	5%	0.049	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	146.2	166.8	51.7	0	0	0	0	108.7	A147 G503	T145-A147 PolarHBondContact O-N 2.87Å; T145-G503 WeakPolarHBondContact OG1-CA 3.3Å
146	S	75.4	Confident	90.5	Very high	36 Å²	36	15.4 Å²	15.4	25%	0.252	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	5.9	-171.8	72.1	0	0	0	0	117.4	G148 R294	S146-G148 PolarHBondContact O-N 2.92Å; S146-R294 PolarHBondContact OG-NH2 2.75Å
147	A	81.2	Confident	90.7	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.008	7%	0.068	C	C	.	.	S	Bend	trans	-68.1	-17.8	176.6	0	0	0	0	0	114	F125 A143 H144 T145 R508	F125-A147 HydrophobicContact CZ-CB 4.06Å; F125-A147 WeakPolarHBondContact CZ-O 3.42Å; A143-A147 HydrophobicContact CB-CB 3.9Å; H144-A147 WeakPolarHBondContact O-CB 3.42Å; H144-A147 PolarHBondContact O-N 2.94Å; T145-A147 PolarHBondContact O-N 2.87Å; A147-R508 PolarHBondContact O-NH1 3.36Å
148	G	84.6	Confident	90.7	Very high	24 Å²	24	10.7 Å²	10.7	25%	0.247	7%	0.066	C	C	.	.			trans	94.4	36.7	-176.1	0	0	0	0	0	113.7	Q126 S146 T150 V151	Q126-G148 PolarHBondContact NE2-O 3.37Å; S146-G148 PolarHBondContact O-N 2.92Å; G148-T150 VanDerWaalsContact C-N 3.25Å; G148-T150 PolarHBondContact O-N 3.38Å; G148-V151 WeakPolarHBondContact O-CG2 3.43Å; G148-V151 PolarHBondContact O-N 3.05Å
149	K	89.6	Confident	90.6	Very high	15 Å²	15	11 Å²	11	7%	0.065	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34	177.8	-62.6	-169.9	-74.6	-97.9	0	113.4	L141 A143 H144 V151 V152 L264 S265	L141-K149 HydrophobicContact CD2-CB 3.99Å; L141-K149 HydrophobicContact CD2-CD 4.44Å; L141-K149 HydrophobicContact CD2-CG 3.83Å; L141-K149 HydrophobicContact CG-CG 4.49Å; A143-K149 HydrophobicContact CB-CD 4.39Å; A143-K149 HydrophobicContact CB-CG 4.27Å; A143-K149 PolarHBondContact O-NZ 2.91Å; H144-K149 PolarHBondContact O-NZ 3.44Å; H144-K149 VanDerWaalsContact O-NZ 3.12Å; K149-V151 PolarHBondContact O-N 3.35Å; K149-V151 VanDerWaalsContact O-N 3.14Å; K149-V152 WeakPolarHBondContact O-CB 3.46Å; K149-V152 PolarHBondContact O-N 3.49Å; K149-L264 HydrophobicContact CB-CD1 4.28Å; K149-L264 HydrophobicContact CB-CD2 4.31Å; K149-L264 HydrophobicContact CD-CB 4.41Å; K149-S265 WeakPolarHBondContact CD-O 3.45Å; K149-S265 PolarHBondContact NZ-O 3.12Å
150	T	89	Confident	90.4	Very high	34 Å²	34	11 Å²	11	21%	0.209	7%	0.068	C	C	.	.	H	α-helix	trans	-56.5	-29.7	-179.2	-53.7	0	0	0	0	113.3	G148 V152 A153 E154 K180 F184	G148-T150 VanDerWaalsContact C-N 3.25Å; G148-T150 PolarHBondContact O-N 3.38Å; T150-V152 VanDerWaalsContact C-N 3.26Å; T150-V152 PolarHBondContact O-N 3.18Å; T150-A153 WeakPolarHBondContact O-CB 3.42Å; T150-A153 PolarHBondContact O-N 3.18Å; T150-A153 VanDerWaalsContact O-N 3.11Å; T150-E154 HydrophobicContact CG2-CG 4.33Å; T150-E154 PolarHBondContact O-N 3.4Å; T150-K180 PolarHBondContact OG1-NZ 2.9Å; T150-F184 HydrophobicContact CG2-CE1 4.21Å; T150-F184 HydrophobicContact CG2-CZ 4.49Å
151	V	91.9	Very high	90.2	Very high	11 Å²	11	13.6 Å²	13.6	7%	0.067	8%	0.081	C	C	.	.	H	α-helix	trans	-57.3	-39.9	176.9	177.8	0	0	0	0	111.9	F118 F120 L122 G148 K149 E154 Y155	F118-V151 HydrophobicContact CD1-CG1 4.2Å; F118-V151 HydrophobicContact CD2-CG1 4.05Å; F118-V151 HydrophobicContact CE1-CG1 3.84Å; F118-V151 HydrophobicContact CE2-CG1 3.68Å; F118-V151 HydrophobicContact CG-CG1 4.3Å; F118-V151 HydrophobicContact CZ-CB 4.49Å; F118-V151 HydrophobicContact CZ-CG1 3.57Å; F120-V151 HydrophobicContact CE2-CG2 4.05Å; F120-V151 HydrophobicContact CZ-CG2 3.75Å; L122-V151 HydrophobicContact CD2-CG1 3.55Å; G148-V151 WeakPolarHBondContact O-CG2 3.43Å; G148-V151 PolarHBondContact O-N 3.05Å; K149-V151 PolarHBondContact O-N 3.35Å; K149-V151 VanDerWaalsContact O-N 3.14Å; V151-E154 PolarHBondContact O-N 2.81Å; V151-Y155 PolarHBondContact O-N 2.63Å
152	V	94	Very high	90	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.9	-39.9	179	178.2	0	0	0	0	110.6	Q126 A129 I133 L141 K149 T150 Y155 A156 V262	Q126-V152 HydrophobicContact CB-CG2 4.41Å; Q126-V152 HydrophobicContact CG-CG2 4.46Å; A129-V152 HydrophobicContact CB-CB 4.48Å; A129-V152 HydrophobicContact CB-CG1 3.73Å; A129-V152 HydrophobicContact CB-CG2 3.84Å; I133-V152 HydrophobicContact CD1-CG1 3.6Å; L141-V152 HydrophobicContact CD2-CB 4.44Å; L141-V152 HydrophobicContact CD2-CG2 3.98Å; K149-V152 WeakPolarHBondContact O-CB 3.46Å; K149-V152 PolarHBondContact O-N 3.49Å; T150-V152 VanDerWaalsContact C-N 3.26Å; T150-V152 PolarHBondContact O-N 3.18Å; V152-Y155 PolarHBondContact O-N 3Å; V152-A156 PolarHBondContact O-N 3.31Å; V152-V262 HydrophobicContact CG1-CG1 4.09Å
153	A	94.3	Very high	89.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-43.5	174.4	0	0	0	0	0	112.7	T150 Y155 A156 I157 Y169 I232 L264	T150-A153 WeakPolarHBondContact O-CB 3.42Å; T150-A153 PolarHBondContact O-N 3.18Å; T150-A153 VanDerWaalsContact O-N 3.11Å; A153-Y155 PolarHBondContact O-N 2.94Å; A153-A156 PolarHBondContact O-N 3.35Å; A153-I157 WeakPolarHBondContact O-CG1 3.45Å; A153-I157 PolarHBondContact O-N 3.14Å; A153-Y169 HydrophobicContact CB-CD2 4.29Å; A153-Y169 HydrophobicContact CB-CE2 3.65Å; A153-I232 HydrophobicContact CB-CD1 4.02Å; A153-I232 HydrophobicContact CB-CG2 3.96Å; A153-L264 HydrophobicContact CB-CD1 4.01Å
154	E	94.7	Very high	89.9	Confident	37 Å²	37	33.5 Å²	33.5	17%	0.173	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-37.3	175.9	-73.1	179.2	-145.7	0	0	112	K116 F118 T150 V151 A158 F184 F188	K116-E154 HydrophobicContact CD-CB 4.32Å; K116-E154 IonicContact NZ-OE2 2.72Å; K116-E154 PolarHBondContact NZ-OE2 3.35Å; F118-E154 HydrophobicContact CE1-CB 4.36Å; F118-E154 WeakPolarHBondContact CE1-OE2 3.41Å; F118-E154 HydrophobicContact CZ-CB 4.22Å; T150-E154 HydrophobicContact CG2-CG 4.33Å; T150-E154 PolarHBondContact O-N 3.4Å; V151-E154 PolarHBondContact O-N 2.81Å; E154-A158 WeakPolarHBondContact O-CB 3.13Å; E154-A158 PolarHBondContact O-N 2.96Å; E154-F184 HydrophobicContact CG-CD1 4.38Å; E154-F184 HydrophobicContact CG-CE1 3.73Å; E154-F188 HydrophobicContact CB-CZ 4.31Å; E154-F188 HydrophobicContact CG-CE2 4.45Å; E154-F188 WeakPolarHBondContact O-CZ 2.85Å
155	Y	94.9	Very high	90.3	Very high	6 Å²	6	35.1 Å²	35.1	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-67.7	-41.4	175.4	-167.6	-88.5	0	0	0	112.1	P114 A115 K116 F118 I130 I133 D134 V151 V152 A153 A158 T159	P114-Y155 HydrophobicContact CB-CE2 4.33Å; A115-Y155 HydrophobicContact CB-CD2 4.47Å; A115-Y155 HydrophobicContact CB-CE1 4.3Å; A115-Y155 HydrophobicContact CB-CE2 3.94Å; A115-Y155 PolarHBondContact N-OH 3.43Å; K116-Y155 HydrophobicContact CB-CD2 4.45Å; F118-Y155 HydrophobicContact CE2-CD2 4.38Å; I130-Y155 HydrophobicContact CB-CD1 4.28Å; I130-Y155 HydrophobicContact CB-CE1 4.43Å; I130-Y155 HydrophobicContact CD1-CD2 4.15Å; I130-Y155 HydrophobicContact CD1-CG 4.15Å; I130-Y155 HydrophobicContact CG1-CD1 3.92Å; I130-Y155 HydrophobicContact CG1-CD2 4.18Å; I130-Y155 HydrophobicContact CG1-CG 3.75Å; I130-Y155 HydrophobicContact CG2-CD1 3.86Å; I130-Y155 HydrophobicContact CG2-CD2 4.18Å; I130-Y155 HydrophobicContact CG2-CE1 3.57Å; I130-Y155 HydrophobicContact CG2-CE2 3.89Å; I130-Y155 HydrophobicContact CG2-CG 4.17Å; I133-Y155 HydrophobicContact CB-CD1 4.31Å; I133-Y155 HydrophobicContact CD1-CD1 4.42Å; I133-Y155 HydrophobicContact CG2-CD1 3.97Å; I133-Y155 HydrophobicContact CG2-CE1 4.2Å; D134-Y155 VanDerWaalsContact CG-OH 3.25Å; D134-Y155 VanDerWaalsContact OD1-CE1 3.29Å; D134-Y155 WeakPolarHBondContact OD1-CE1 3.43Å; D134-Y155 PolarHBondContact OD1-OH 2.84Å; D134-Y155 PolarHBondContact OD2-OH 2.96Å; D134-Y155 VanDerWaalsContact OD2-OH 3.11Å; V151-Y155 PolarHBondContact O-N 2.63Å; V152-Y155 PolarHBondContact O-N 3Å; A153-Y155 PolarHBondContact O-N 2.94Å; Y155-A158 PolarHBondContact O-N 2.98Å; Y155-T159 WeakPolarHBondContact CE1-OG1 3.18Å; Y155-T159 WeakPolarHBondContact O-CB 3.34Å; Y155-T159 PolarHBondContact O-N 3.41Å; Y155-T159 PolarHBondContact O-OG1 3.2Å
156	A	94.6	Very high	91	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-42.7	174.5	0	0	0	0	0	112.1	I133 V152 A153 T159 A160 I232 V262	I133-A156 HydrophobicContact CD1-CB 4.01Å; I133-A156 HydrophobicContact CG2-CB 4.42Å; V152-A156 PolarHBondContact O-N 3.31Å; A153-A156 PolarHBondContact O-N 3.35Å; A156-T159 PolarHBondContact O-N 3.06Å; A156-A160 PolarHBondContact O-N 3.22Å; A156-I232 HydrophobicContact CB-CD1 4.04Å; A156-V262 HydrophobicContact CB-CG2 3.79Å
157	I	95.4	Very high	92	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-49.1	174.1	-68.1	166.2	0	0	0	110.5	A153 T159 A160 L161 V167 Y169 F184 F188 V206 I232	A153-I157 WeakPolarHBondContact O-CG1 3.45Å; A153-I157 PolarHBondContact O-N 3.14Å; I157-T159 VanDerWaalsContact C-N 3.27Å; I157-T159 PolarHBondContact O-N 3.18Å; I157-A160 PolarHBondContact O-N 3.33Å; I157-L161 HydrophobicContact CG2-CD1 4.01Å; I157-L161 HydrophobicContact CG2-CG 4.37Å; I157-L161 WeakPolarHBondContact O-CG 3.34Å; I157-L161 PolarHBondContact O-N 3.18Å; I157-V167 HydrophobicContact CB-CG1 4.33Å; I157-V167 HydrophobicContact CG1-CG1 4.02Å; I157-V167 HydrophobicContact CG1-CG2 4.03Å; I157-V167 HydrophobicContact CG2-CG1 4.09Å; I157-Y169 HydrophobicContact CD1-CD2 4.45Å; I157-F184 HydrophobicContact CD1-CD2 3.78Å; I157-F184 HydrophobicContact CD1-CE1 4.31Å; I157-F184 HydrophobicContact CD1-CE2 3.43Å; I157-F184 VanDerWaalsContact CD1-CE2 3.43Å; I157-F184 HydrophobicContact CD1-CG 4.37Å; I157-F184 HydrophobicContact CD1-CZ 3.73Å; I157-F188 HydrophobicContact CB-CE1 4.35Å; I157-F188 HydrophobicContact CB-CE2 4.14Å; I157-F188 HydrophobicContact CB-CZ 3.84Å; I157-F188 HydrophobicContact CD1-CE2 4.17Å; I157-F188 HydrophobicContact CG2-CD1 3.99Å; I157-F188 HydrophobicContact CG2-CD2 3.96Å; I157-F188 HydrophobicContact CG2-CE1 3.69Å; I157-F188 HydrophobicContact CG2-CE2 3.66Å; I157-F188 HydrophobicContact CG2-CG 4.11Å; I157-F188 HydrophobicContact CG2-CZ 3.52Å; I157-V206 HydrophobicContact CD1-CG1 4.26Å; I157-V206 HydrophobicContact CG2-CG1 4.19Å; I157-V206 HydrophobicContact CG2-CG2 3.6Å; I157-I232 HydrophobicContact CD1-CD1 4.2Å; I157-I232 HydrophobicContact CG1-CD1 3.71Å
158	A	93.7	Very high	92.7	Very high	10 Å²	10	35.4 Å²	35.4	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-38	178.9	0	0	0	0	0	112.5	A115 K116 E154 Y155 R162 F188	A115-A158 HydrophobicContact CB-CB 3.91Å; K116-A158 HydrophobicContact CB-CB 3.84Å; E154-A158 WeakPolarHBondContact O-CB 3.13Å; E154-A158 PolarHBondContact O-N 2.96Å; Y155-A158 PolarHBondContact O-N 2.98Å; A158-R162 WeakPolarHBondContact O-CB 3.45Å; A158-R162 PolarHBondContact O-N 3.12Å; A158-F188 HydrophobicContact CB-CE1 4.2Å
159	T	92.6	Very high	93.3	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.043	16%	0.156	C	C	.	.	H	α-helix	trans	-65.6	-48	176.5	-56.6	0	0	0	0	110.8	A115 I133 Y155 A156 I157 L161 R162 E163	A115-T159 WeakPolarHBondContact CB-OG1 3.49Å; I133-T159 HydrophobicContact CG2-CG2 4.2Å; Y155-T159 WeakPolarHBondContact CE1-OG1 3.18Å; Y155-T159 WeakPolarHBondContact O-CB 3.34Å; Y155-T159 PolarHBondContact O-N 3.41Å; Y155-T159 PolarHBondContact O-OG1 3.2Å; A156-T159 PolarHBondContact O-N 3.06Å; I157-T159 VanDerWaalsContact C-N 3.27Å; I157-T159 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact C-N 3.34Å; T159-L161 PolarHBondContact O-N 3.13Å; T159-R162 WeakPolarHBondContact O-CB 3.47Å; T159-R162 PolarHBondContact O-N 2.97Å; T159-E163 WeakPolarHBondContact O-CG 3.34Å; T159-E163 PolarHBondContact O-N 3.15Å; T159-E163 VanDerWaalsContact O-N 3.12Å
160	A	92.6	Very high	93.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-43.4	176.9	0	0	0	0	0	112.2	A156 I157 R162 E163 K164 Q165 V167 W230	A156-A160 PolarHBondContact O-N 3.22Å; I157-A160 PolarHBondContact O-N 3.33Å; A160-R162 PolarHBondContact O-N 3.35Å; A160-E163 CarbonylContact O-C 3.56Å; A160-E163 PolarHBondContact O-N 3.35Å; A160-K164 PolarHBondContact O-N 2.8Å; A160-K164 VanDerWaalsContact O-N 3.08Å; A160-Q165 PolarHBondContact O-N 2.9Å; A160-V167 HydrophobicContact CB-CB 3.92Å; A160-V167 HydrophobicContact CB-CG1 4.36Å; A160-W230 HydrophobicContact CB-CB 4.47Å; A160-W230 HydrophobicContact CB-CG 4.34Å
161	L	92.8	Very high	93.8	Very high	53 Å²	53	32 Å²	32	28%	0.277	14%	0.143	S	C	.	.	H	α-helix	trans	-64.4	-38.2	177	-69.3	178.2	0	0	0	112.5	I157 T159 E163 K164 F188 V206	I157-L161 HydrophobicContact CG2-CD1 4.01Å; I157-L161 HydrophobicContact CG2-CG 4.37Å; I157-L161 WeakPolarHBondContact O-CG 3.34Å; I157-L161 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact C-N 3.34Å; T159-L161 PolarHBondContact O-N 3.13Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 3.24Å; L161-K164 PolarHBondContact O-N 3.49Å; L161-K164 VanDerWaalsContact O-N 3.14Å; L161-F188 HydrophobicContact CD1-CD1 3.73Å; L161-F188 HydrophobicContact CD1-CE1 4.32Å; L161-F188 HydrophobicContact CD1-CG 4.36Å; L161-V206 HydrophobicContact CD1-CG2 3.96Å; L161-V206 HydrophobicContact CD2-CG2 3.95Å; L161-V206 HydrophobicContact CG-CG2 4.2Å
162	R	91	Very high	93.7	Very high	116 Å²	116	31.5 Å²	31.5	44%	0.438	14%	0.14	S	C	.	.	H	α-helix	trans	-60.2	-41.7	174.7	-175.1	-179	70.9	-157.2	-4.7	111.5	A158 T159 A160 K164	A158-R162 WeakPolarHBondContact O-CB 3.45Å; A158-R162 PolarHBondContact O-N 3.12Å; T159-R162 WeakPolarHBondContact O-CB 3.47Å; T159-R162 PolarHBondContact O-N 2.97Å; A160-R162 PolarHBondContact O-N 3.35Å; R162-K164 VanDerWaalsContact C-N 3.26Å; R162-K164 PolarHBondContact O-N 2.9Å
163	E	90.5	Very high	93.3	Very high	107 Å²	107	33.2 Å²	33.2	50%	0.5	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	5.3	178.1	-53.4	-48.5	142.5	0	0	113.6	T159 A160 L161 Q165	T159-E163 WeakPolarHBondContact O-CG 3.34Å; T159-E163 PolarHBondContact O-N 3.15Å; T159-E163 VanDerWaalsContact O-N 3.12Å; A160-E163 CarbonylContact O-C 3.56Å; A160-E163 PolarHBondContact O-N 3.35Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 3.24Å; E163-Q165 VanDerWaalsContact C-N 3.26Å; E163-Q165 HydrophobicContact CB-CG 4.28Å; E163-Q165 PolarHBondContact O-N 2.95Å
164	K	91	Very high	92.8	Very high	198 Å²	198	37.2 Å²	37.2	86%	0.861	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	34.7	-178.5	-54.9	178.4	179.7	177.3	0	113.9	A160 L161 R162	A160-K164 PolarHBondContact O-N 2.8Å; A160-K164 VanDerWaalsContact O-N 3.08Å; L161-K164 PolarHBondContact O-N 3.49Å; L161-K164 VanDerWaalsContact O-N 3.14Å; R162-K164 VanDerWaalsContact C-N 3.26Å; R162-K164 PolarHBondContact O-N 2.9Å
165	Q	92.5	Very high	92.2	Very high	74 Å²	74	36.4 Å²	36.4	35%	0.346	17%	0.167	S	C	.	.			trans	-101	152.5	174.8	-63.8	-178.5	-45.2	0	0	110.5	A160 E163	A160-Q165 PolarHBondContact O-N 2.9Å; E163-Q165 VanDerWaalsContact C-N 3.26Å; E163-Q165 HydrophobicContact CB-CG 4.28Å; E163-Q165 PolarHBondContact O-N 2.95Å
166	R	94.6	Very high	91.7	Very high	50 Å²	50	36.3 Å²	36.3	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	149	169.4	-64.4	-169.8	-170.9	-134.1	7.7	110.7	S203 A204 S205 E227 V228 G229 W230	R166-S203 PolarHBondContact NH1-O 3.01Å; R166-A204 PolarHBondContact NH1-O 3.36Å; R166-S205 WeakPolarHBondContact CA-O 3.45Å; R166-E227 HydrophobicContact CG-CB 4.22Å; R166-E227 IonicContact CZ-OE2 2.65Å; R166-E227 PolarHBondContact N-O 2.9Å; R166-E227 IonicContact NE-OE2 2.87Å; R166-E227 PolarHBondContact NE-OE2 3.34Å; R166-E227 IonicContact NH2-OE2 3.02Å; R166-E227 PolarHBondContact NH2-OE2 2.84Å; R166-V228 HydrophobicContact CB-CG2 4.39Å; R166-G229 PolarHBondContact O-N 3.36Å; R166-W230 PolarHBondContact O-N 3.03Å
167	V	96.2	Very high	91.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.3	174	58.8	0	0	0	0	110	I157 A160 S205 V206 L207 W230 I232	I157-V167 HydrophobicContact CB-CG1 4.33Å; I157-V167 HydrophobicContact CG1-CG1 4.02Å; I157-V167 HydrophobicContact CG1-CG2 4.03Å; I157-V167 HydrophobicContact CG2-CG1 4.09Å; A160-V167 HydrophobicContact CB-CB 3.92Å; A160-V167 HydrophobicContact CB-CG1 4.36Å; V167-S205 PolarHBondContact N-O 3.12Å; V167-V206 HydrophobicContact CG1-CB 4.12Å; V167-V206 HydrophobicContact CG1-CG1 4.04Å; V167-V206 HydrophobicContact CG1-CG2 3.83Å; V167-L207 PolarHBondContact O-N 3.03Å; V167-W230 WeakPolarHBondContact CA-O 3.33Å; V167-W230 HydrophobicContact CB-CB 4.34Å; V167-W230 HydrophobicContact CG2-CB 3.89Å; V167-I232 HydrophobicContact CG2-CD1 3.9Å; V167-I232 HydrophobicContact CG2-CG1 4.22Å
168	I	97.1	Very high	91.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.9	174.3	-62	-178.3	0	0	0	108.7	T170 L207 M209 L214 V228 W230 V231 I232	I168-T170 HydrophobicContact CG2-CG2 3.85Å; I168-L207 CarbonylContact C-O 3.51Å; I168-L207 WeakPolarHBondContact CA-O 3.33Å; I168-L207 HydrophobicContact CG1-CB 4.49Å; I168-M209 HydrophobicContact CD1-CE 4.1Å; I168-M209 HydrophobicContact CD1-SD 4.46Å; I168-M209 HydrophobicContact CG1-CE 4.23Å; I168-M209 HydrophobicContact CG2-CE 3.87Å; I168-M209 HydrophobicContact CG2-CG 3.8Å; I168-M209 HydrophobicContact CG2-SD 3.76Å; I168-L214 HydrophobicContact CD1-CD1 3.77Å; I168-L214 HydrophobicContact CG2-CD2 4.32Å; I168-V228 HydrophobicContact CD1-CG1 4.25Å; I168-V228 HydrophobicContact CD1-CG2 3.59Å; I168-V228 HydrophobicContact CG1-CG1 4.13Å; I168-V228 HydrophobicContact CG1-CG2 3.94Å; I168-W230 PolarHBondContact N-O 2.95Å; I168-V231 HydrophobicContact CB-CG2 4.31Å; I168-V231 CarbonylContact O-C 3.53Å; I168-V231 WeakPolarHBondContact O-CA 3.47Å; I168-I232 PolarHBondContact O-N 2.92Å
169	Y	97.4	Very high	90.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111	170.8	-168.4	-80.7	0	0	0	109.2	A153 I157 T171 K180 F184 L207 I208 M209 I232 D234	A153-Y169 HydrophobicContact CB-CD2 4.29Å; A153-Y169 HydrophobicContact CB-CE2 3.65Å; I157-Y169 HydrophobicContact CD1-CD2 4.45Å; Y169-T171 HydrophobicContact CD1-CG2 3.66Å; Y169-T171 HydrophobicContact CE1-CG2 3.51Å; Y169-K180 HydrophobicContact CE1-CB 4.35Å; Y169-K180 HydrophobicContact CE1-CD 4.14Å; Y169-K180 HydrophobicContact CE1-CG 3.85Å; Y169-F184 HydrophobicContact CD1-CE2 4.35Å; Y169-F184 AromaticContact CD2-CE2 3.58Å; Y169-F184 HydrophobicContact CD2-CE2 3.58Å; Y169-F184 AromaticContact CD2-CZ 3.98Å; Y169-F184 HydrophobicContact CD2-CZ 3.98Å; Y169-F184 AromaticContact CE2-CE2 3.82Å; Y169-F184 HydrophobicContact CE2-CE2 3.82Å; Y169-F184 AromaticContact CE2-CZ 3.78Å; Y169-F184 HydrophobicContact CE2-CZ 3.78Å; Y169-F184 AromaticContact CG-CE2 3.86Å; Y169-F184 HydrophobicContact CG-CE2 3.86Å; Y169-L207 PolarHBondContact N-O 3.02Å; Y169-I208 HydrophobicContact CD1-CG2 4.38Å; Y169-I208 WeakPolarHBondContact O-CA 3.19Å; Y169-M209 PolarHBondContact O-N 2.9Å; Y169-I232 HydrophobicContact CD2-CB 3.78Å; Y169-I232 HydrophobicContact CD2-CD1 3.93Å; Y169-I232 HydrophobicContact CD2-CG1 4.44Å; Y169-I232 HydrophobicContact CD2-CG2 3.62Å; Y169-I232 HydrophobicContact CE2-CB 4.33Å; Y169-I232 HydrophobicContact CE2-CG2 3.64Å; Y169-I232 HydrophobicContact CG-CB 4.42Å; Y169-D234 HydrophobicContact CE1-CB 3.89Å; Y169-D234 PolarHBondContact OH-OD2 3.05Å
170	T	96.1	Very high	90.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	143	180	63.7	0	0	0	0	110.9	I168 M209 L214 V231 I232 F233 D234	I168-T170 HydrophobicContact CG2-CG2 3.85Å; T170-M209 CarbonylContact C-O 3.56Å; T170-M209 VanDerWaalsContact CA-O 3.32Å; T170-M209 WeakPolarHBondContact CA-O 3.18Å; T170-L214 HydrophobicContact CG2-CB 4.47Å; T170-L214 HydrophobicContact CG2-CD2 3.64Å; T170-V231 HydrophobicContact CG2-CG1 4.23Å; T170-I232 PolarHBondContact N-O 3.35Å; T170-I232 PolarHBondContact OG1-O 3.4Å; T170-F233 HydrophobicContact CG2-CE1 4.38Å; T170-F233 WeakPolarHBondContact OG1-CA 3.45Å; T170-F233 WeakPolarHBondContact OG1-CD1 3.49Å; T170-D234 WeakPolarHBondContact O-CB 3.42Å; T170-D234 PolarHBondContact O-N 3.18Å
171	T	92.9	Very high	90.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.5	180	60	0	0	0	0	111.3	Y169 I173 L176 S177 I208 M209 T210	Y169-T171 HydrophobicContact CD1-CG2 3.66Å; Y169-T171 HydrophobicContact CE1-CG2 3.51Å; T171-I173 VanDerWaalsContact C-N 3.34Å; T171-I173 PolarHBondContact O-N 2.9Å; T171-I173 PolarHBondContact OG1-O 3.36Å; T171-L176 HydrophobicContact CG2-CD2 4.07Å; T171-L176 HydrophobicContact CG2-CG 3.76Å; T171-S177 PolarHBondContact OG1-OG 3.34Å; T171-I208 HydrophobicContact CG2-CG2 4.49Å; T171-M209 PolarHBondContact N-O 3.08Å; T171-M209 PolarHBondContact OG1-O 3.45Å; T171-T210 WeakPolarHBondContact O-CA 3.36Å
172	P	89.1	Confident	90.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	-71.4	-23.4	177.1	28.2	-39.1	0	0	0	114.4	L176 E235 Y238 R244 W248	P172-L176 HydrophobicContact CG-CD2 4.17Å; P172-E235 HydrophobicContact CG-CB 4.05Å; P172-E235 HydrophobicContact CG-CG 4.37Å; P172-Y238 HydrophobicContact CB-CD2 3.67Å; P172-Y238 HydrophobicContact CB-CE2 4.09Å; P172-Y238 HydrophobicContact CB-CG 4.15Å; P172-Y238 HydrophobicContact CG-CD2 3.76Å; P172-Y238 HydrophobicContact CG-CE2 3.85Å; P172-R244 VanDerWaalsContact O-CZ 3.26Å; P172-R244 PolarHBondContact O-NH1 3.39Å; P172-R244 PolarHBondContact O-NH2 3.48Å; P172-W248 HydrophobicContact CB-CH2 4.19Å; P172-W248 HydrophobicContact CB-CZ2 3.83Å
173	I	85	Confident	90.3	Very high	36 Å²	36	40.1 Å²	40.1	19%	0.185	18%	0.179	C	C	.	.	S	Bend	trans	-138.1	142.7	-174.8	60.1	174.4	0	0	0	111	T171 A175 L176 S177 M468	T171-I173 VanDerWaalsContact C-N 3.34Å; T171-I173 PolarHBondContact O-N 2.9Å; T171-I173 PolarHBondContact OG1-O 3.36Å; I173-A175 VanDerWaalsContact C-N 3.26Å; I173-A175 HydrophobicContact CD1-CB 4.46Å; I173-A175 PolarHBondContact O-N 3.15Å; I173-L176 HydrophobicContact CD1-CB 4.21Å; I173-L176 HydrophobicContact CG1-CB 3.57Å; I173-L176 WeakPolarHBondContact O-CB 3.21Å; I173-L176 PolarHBondContact O-N 3.17Å; I173-L176 VanDerWaalsContact O-N 3.08Å; I173-S177 PolarHBondContact O-N 3.21Å; I173-S177 VanDerWaalsContact O-N 3.11Å; I173-S177 PolarHBondContact O-OG 3.3Å; I173-M468 HydrophobicContact CD1-CB 4.47Å; I173-M468 VanDerWaalsContact CD1-O 3.28Å; I173-M468 WeakPolarHBondContact CD1-O 3.46Å
174	K	84.1	Confident	90.4	Very high	84 Å²	84	35 Å²	35	37%	0.365	16%	0.155	S	C	.	.	H	α-helix	trans	-55.3	-39.4	179	-62.7	-179.6	178.3	178.1	0	113	L176 S177 N178 D197 T210	K174-L176 VanDerWaalsContact C-N 3.3Å; K174-L176 PolarHBondContact O-N 2.82Å; K174-S177 WeakPolarHBondContact CA-OG 3.35Å; K174-S177 WeakPolarHBondContact O-CA 3.4Å; K174-S177 VanDerWaalsContact O-CB 3.28Å; K174-S177 WeakPolarHBondContact O-CB 3.5Å; K174-S177 PolarHBondContact O-N 3.41Å; K174-S177 VanDerWaalsContact O-N 3.08Å; K174-S177 PolarHBondContact O-OG 2.9Å; K174-N178 PolarHBondContact O-N 3.36Å; K174-N178 PolarHBondContact O-OD1 3.11Å; K174-D197 VanDerWaalsContact CD-OD2 3.3Å; K174-D197 WeakPolarHBondContact CD-OD2 3.47Å; K174-D197 IonicContact NZ-OD1 3.69Å; K174-D197 PolarHBondContact NZ-OD1 3.45Å; K174-D197 IonicContact NZ-OD2 3.78Å; K174-D197 PolarHBondContact NZ-OD2 3.46Å; K174-T210 HydrophobicContact CG-CG2 4.11Å
175	A	81.6	Confident	90.4	Very high	21 Å²	21	31.2 Å²	31.2	17%	0.174	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-39.5	179.2	0	0	0	0	0	112.3	I173 N178 Q179 L470	I173-A175 VanDerWaalsContact C-N 3.26Å; I173-A175 HydrophobicContact CD1-CB 4.46Å; I173-A175 PolarHBondContact O-N 3.15Å; A175-N178 PolarHBondContact O-N 3.31Å; A175-Q179 PolarHBondContact O-N 2.64Å; A175-L470 HydrophobicContact CB-CD2 4.22Å
176	L	86.1	Confident	90.3	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-69.7	-37	173.9	170.3	56.3	0	0	0	110.9	T171 P172 I173 K174 N178 Q179 K180 G469	T171-L176 HydrophobicContact CG2-CD2 4.07Å; T171-L176 HydrophobicContact CG2-CG 3.76Å; P172-L176 HydrophobicContact CG-CD2 4.17Å; I173-L176 HydrophobicContact CD1-CB 4.21Å; I173-L176 HydrophobicContact CG1-CB 3.57Å; I173-L176 WeakPolarHBondContact O-CB 3.21Å; I173-L176 PolarHBondContact O-N 3.17Å; I173-L176 VanDerWaalsContact O-N 3.08Å; K174-L176 VanDerWaalsContact C-N 3.3Å; K174-L176 PolarHBondContact O-N 2.82Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.27Å; L176-Q179 PolarHBondContact O-N 2.92Å; L176-K180 HydrophobicContact CD1-CD 4.12Å; L176-K180 VanDerWaalsContact CD1-CE 3.49Å; L176-K180 HydrophobicContact CD1-CG 3.48Å; L176-K180 VanDerWaalsContact CD1-CG 3.48Å; L176-K180 HydrophobicContact CG-CG 4.28Å; L176-K180 WeakPolarHBondContact O-CB 3.39Å; L176-K180 VanDerWaalsContact O-CG 3.24Å; L176-K180 WeakPolarHBondContact O-CG 3.45Å; L176-K180 PolarHBondContact O-N 3.12Å; L176-G469 WeakPolarHBondContact CB-O 3.46Å; L176-G469 WeakPolarHBondContact CD1-O 3.14Å; L176-G469 WeakPolarHBondContact CG-O 3.49Å
177	S	90.9	Very high	90	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57	-47.7	172.4	-35.2	0	0	0	0	111.4	T171 I173 K174 K180 Y181	T171-S177 PolarHBondContact OG1-OG 3.34Å; I173-S177 PolarHBondContact O-N 3.21Å; I173-S177 VanDerWaalsContact O-N 3.11Å; I173-S177 PolarHBondContact O-OG 3.3Å; K174-S177 WeakPolarHBondContact CA-OG 3.35Å; K174-S177 WeakPolarHBondContact O-CA 3.4Å; K174-S177 VanDerWaalsContact O-CB 3.28Å; K174-S177 WeakPolarHBondContact O-CB 3.5Å; K174-S177 PolarHBondContact O-N 3.41Å; K174-S177 VanDerWaalsContact O-N 3.08Å; K174-S177 PolarHBondContact O-OG 2.9Å; S177-K180 PolarHBondContact O-N 3.26Å; S177-Y181 WeakPolarHBondContact O-CB 3.48Å; S177-Y181 PolarHBondContact O-N 2.86Å
178	N	87.3	Confident	89.8	Confident	16 Å²	16	35 Å²	35	9%	0.086	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-43.9	179.5	-67.1	-3.4	0	0	0	111.7	K174 A175 L176 Y181 R182 L193 S1035	K174-N178 PolarHBondContact O-N 3.36Å; K174-N178 PolarHBondContact O-OD1 3.11Å; A175-N178 PolarHBondContact O-N 3.31Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.27Å; N178-Y181 WeakPolarHBondContact O-CB 3.39Å; N178-Y181 PolarHBondContact O-N 2.72Å; N178-R182 PolarHBondContact O-N 3.2Å; N178-L193 WeakPolarHBondContact OD1-CD2 3.39Å; N178-S1035 PolarHBondContact ND2-OG 3.06Å
179	Q	85.8	Confident	89.2	Confident	23 Å²	23	40.7 Å²	40.7	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-47.3	175.9	-176.9	-177.4	-21	0	0	111.2	A175 L176 Y181 R182 E183	A175-Q179 PolarHBondContact O-N 2.64Å; L176-Q179 PolarHBondContact O-N 2.92Å; Q179-Y181 VanDerWaalsContact C-N 3.31Å; Q179-Y181 PolarHBondContact O-N 3.43Å; Q179-R182 PolarHBondContact O-N 3.2Å; Q179-E183 PolarHBondContact NE2-OE1 3.44Å; Q179-E183 WeakPolarHBondContact O-CG 3.48Å; Q179-E183 PolarHBondContact O-N 3.46Å
180	K	90.8	Very high	88.8	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-33.6	-179.7	-68.3	-71.5	165.4	-157.3	0	112.4	T150 Y169 L176 S177 R182 E183 F184 I208	T150-K180 PolarHBondContact OG1-NZ 2.9Å; Y169-K180 HydrophobicContact CE1-CB 4.35Å; Y169-K180 HydrophobicContact CE1-CD 4.14Å; Y169-K180 HydrophobicContact CE1-CG 3.85Å; L176-K180 HydrophobicContact CD1-CD 4.12Å; L176-K180 VanDerWaalsContact CD1-CE 3.49Å; L176-K180 HydrophobicContact CD1-CG 3.48Å; L176-K180 VanDerWaalsContact CD1-CG 3.48Å; L176-K180 HydrophobicContact CG-CG 4.28Å; L176-K180 WeakPolarHBondContact O-CB 3.39Å; L176-K180 VanDerWaalsContact O-CG 3.24Å; L176-K180 WeakPolarHBondContact O-CG 3.45Å; L176-K180 PolarHBondContact O-N 3.12Å; S177-K180 PolarHBondContact O-N 3.26Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 3Å; K180-E183 WeakPolarHBondContact CD-OE2 3.38Å; K180-E183 IonicContact NZ-OE2 2.77Å; K180-E183 PolarHBondContact NZ-OE2 3.08Å; K180-E183 PolarHBondContact O-N 3.49Å; K180-F184 HydrophobicContact CB-CE2 4.43Å; K180-F184 HydrophobicContact CD-CZ 4.17Å; K180-F184 VanDerWaalsContact O-CB 3.27Å; K180-F184 WeakPolarHBondContact O-CB 3.33Å; K180-F184 WeakPolarHBondContact O-CG 3.22Å; K180-F184 PolarHBondContact O-N 3.14Å; K180-I208 VanDerWaalsContact C-CD1 3.44Å; K180-I208 HydrophobicContact CB-CD1 4.09Å; K180-I208 HydrophobicContact CB-CG2 4.39Å
181	Y	92.4	Very high	88.8	Confident	32 Å²	32	45.7 Å²	45.7	13%	0.125	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-48.7	172.1	174.7	-99.8	0	0	0	111.2	S177 N178 Q179 F184 F185 V191 L193 I200 I208 L1038	S177-Y181 WeakPolarHBondContact O-CB 3.48Å; S177-Y181 PolarHBondContact O-N 2.86Å; N178-Y181 WeakPolarHBondContact O-CB 3.39Å; N178-Y181 PolarHBondContact O-N 2.72Å; Q179-Y181 VanDerWaalsContact C-N 3.31Å; Q179-Y181 PolarHBondContact O-N 3.43Å; Y181-F184 PolarHBondContact O-N 3.3Å; Y181-F185 HydrophobicContact CE2-CD2 4.45Å; Y181-F185 WeakPolarHBondContact O-CB 3.26Å; Y181-F185 PolarHBondContact O-N 3Å; Y181-V191 HydrophobicContact CD2-CB 4.43Å; Y181-V191 HydrophobicContact CD2-CG1 3.79Å; Y181-V191 HydrophobicContact CE2-CB 4.34Å; Y181-V191 HydrophobicContact CE2-CG1 4.17Å; Y181-L193 HydrophobicContact CD2-CB 3.75Å; Y181-L193 HydrophobicContact CE2-CB 4.21Å; Y181-L193 HydrophobicContact CG-CB 4.18Å; Y181-L193 HydrophobicContact CG-CD2 4.41Å; Y181-I200 HydrophobicContact CE2-CG2 4.48Å; Y181-I208 VanDerWaalsContact N-CD1 3.28Å; Y181-L1038 HydrophobicContact CD1-CD2 3.98Å; Y181-L1038 HydrophobicContact CE1-CD2 4.21Å
182	R	87	Confident	88.9	Confident	130 Å²	130	45.7 Å²	45.7	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-48.8	176.9	-175.3	174.1	174.9	167.6	-2.3	112.9	N178 Q179 K180 F184 F185 E186	N178-R182 PolarHBondContact O-N 3.2Å; Q179-R182 PolarHBondContact O-N 3.2Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 3Å; R182-F184 VanDerWaalsContact C-N 3.29Å; R182-F184 PolarHBondContact O-N 3.48Å; R182-F185 PolarHBondContact O-N 3.15Å; R182-E186 IonicContact NE-OE1 3.3Å; R182-E186 PolarHBondContact O-N 3.02Å; R182-E186 VanDerWaalsContact O-N 3.12Å
183	E	89.2	Confident	89.1	Confident	57 Å²	57	45.6 Å²	45.6	27%	0.266	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-41.4	179.2	-70.9	175.4	-175.2	0	0	111.9	Q179 K180 A187	Q179-E183 PolarHBondContact NE2-OE1 3.44Å; Q179-E183 WeakPolarHBondContact O-CG 3.48Å; Q179-E183 PolarHBondContact O-N 3.46Å; K180-E183 WeakPolarHBondContact CD-OE2 3.38Å; K180-E183 IonicContact NZ-OE2 2.77Å; K180-E183 PolarHBondContact NZ-OE2 3.08Å; K180-E183 PolarHBondContact O-N 3.49Å; E183-A187 PolarHBondContact O-N 3.3Å
184	F	92.6	Very high	89.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-81.8	-28.4	-179.9	-67	-12.4	0	0	0	113.1	T150 E154 I157 Y169 K180 Y181 R182 E186 A187 F188 V191 I208	T150-F184 HydrophobicContact CG2-CE1 4.21Å; T150-F184 HydrophobicContact CG2-CZ 4.49Å; E154-F184 HydrophobicContact CG-CD1 4.38Å; E154-F184 HydrophobicContact CG-CE1 3.73Å; I157-F184 HydrophobicContact CD1-CD2 3.78Å; I157-F184 HydrophobicContact CD1-CE1 4.31Å; I157-F184 HydrophobicContact CD1-CE2 3.43Å; I157-F184 VanDerWaalsContact CD1-CE2 3.43Å; I157-F184 HydrophobicContact CD1-CG 4.37Å; I157-F184 HydrophobicContact CD1-CZ 3.73Å; Y169-F184 HydrophobicContact CD1-CE2 4.35Å; Y169-F184 AromaticContact CD2-CE2 3.58Å; Y169-F184 HydrophobicContact CD2-CE2 3.58Å; Y169-F184 AromaticContact CD2-CZ 3.98Å; Y169-F184 HydrophobicContact CD2-CZ 3.98Å; Y169-F184 AromaticContact CE2-CE2 3.82Å; Y169-F184 HydrophobicContact CE2-CE2 3.82Å; Y169-F184 AromaticContact CE2-CZ 3.78Å; Y169-F184 HydrophobicContact CE2-CZ 3.78Å; Y169-F184 AromaticContact CG-CE2 3.86Å; Y169-F184 HydrophobicContact CG-CE2 3.86Å; K180-F184 HydrophobicContact CB-CE2 4.43Å; K180-F184 HydrophobicContact CD-CZ 4.17Å; K180-F184 VanDerWaalsContact O-CB 3.27Å; K180-F184 WeakPolarHBondContact O-CB 3.33Å; K180-F184 WeakPolarHBondContact O-CG 3.22Å; K180-F184 PolarHBondContact O-N 3.14Å; Y181-F184 PolarHBondContact O-N 3.3Å; R182-F184 VanDerWaalsContact C-N 3.29Å; R182-F184 PolarHBondContact O-N 3.48Å; F184-E186 VanDerWaalsContact C-N 3.27Å; F184-E186 PolarHBondContact O-N 3.01Å; F184-A187 CarbonylContact O-C 3.6Å; F184-A187 PolarHBondContact O-N 2.84Å; F184-A187 VanDerWaalsContact O-N 3.16Å; F184-F188 HydrophobicContact CB-CD2 3.98Å; F184-F188 HydrophobicContact CD1-CD2 4.41Å; F184-F188 HydrophobicContact CD1-CE2 4.11Å; F184-F188 HydrophobicContact CG-CD2 4.28Å; F184-F188 HydrophobicContact CG-CE2 4.33Å; F184-F188 WeakPolarHBondContact O-CA 3.35Å; F184-F188 WeakPolarHBondContact O-CB 3.46Å; F184-F188 WeakPolarHBondContact O-CD2 3.41Å; F184-F188 PolarHBondContact O-N 3.09Å; F184-V191 HydrophobicContact CB-CG1 4.3Å; F184-V191 HydrophobicContact CB-CG2 4.1Å; F184-V191 WeakPolarHBondContact O-CG2 3.36Å; F184-I208 HydrophobicContact CB-CD1 4.31Å; F184-I208 HydrophobicContact CD2-CD1 3.68Å; F184-I208 HydrophobicContact CD2-CG1 4.18Å; F184-I208 HydrophobicContact CE2-CD1 4.47Å; F184-I208 HydrophobicContact CG-CD1 4.41Å
185	F	91	Very high	89.5	Confident	118 Å²	118	40.9 Å²	40.9	52%	0.518	21%	0.205	S	C	.	.	H	α-helix	trans	-65.7	-32.7	173.1	-170.6	-93	0	0	0	111.6	Y181 R182	Y181-F185 HydrophobicContact CE2-CD2 4.45Å; Y181-F185 WeakPolarHBondContact O-CB 3.26Å; Y181-F185 PolarHBondContact O-N 3Å; R182-F185 PolarHBondContact O-N 3.15Å
186	E	88.9	Confident	89.2	Confident	149 Å²	149	41.6 Å²	41.6	70%	0.696	22%	0.215	S	C	*	.	H	α-helix	trans	-71.9	-32.3	171.4	-69.9	176.7	-167.6	0	0	112.3	R182 F184	R182-E186 IonicContact NE-OE1 3.3Å; R182-E186 PolarHBondContact O-N 3.02Å; R182-E186 VanDerWaalsContact O-N 3.12Å; F184-E186 VanDerWaalsContact C-N 3.27Å; F184-E186 PolarHBondContact O-N 3.01Å
187	A	88.7	Confident	88.5	Confident	42 Å²	42	45.8 Å²	45.8	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-91.5	-24.8	-175.1	0	0	0	0	0	115	E183 F184	E183-A187 PolarHBondContact O-N 3.3Å; F184-A187 CarbonylContact O-C 3.6Å; F184-A187 PolarHBondContact O-N 2.84Å; F184-A187 VanDerWaalsContact O-N 3.16Å
188	F	92.4	Very high	88	Confident	15 Å²	15	46.9 Å²	46.9	7%	0.066	25%	0.246	C	C	.	.			trans	-138.2	144.2	-171.8	-56.3	-74.1	0	0	0	110.8	K116 E154 I157 A158 L161 F184 V191	K116-F188 HydrophobicContact CD-CZ 4.41Å; E154-F188 HydrophobicContact CB-CZ 4.31Å; E154-F188 HydrophobicContact CG-CE2 4.45Å; E154-F188 WeakPolarHBondContact O-CZ 2.85Å; I157-F188 HydrophobicContact CB-CE1 4.35Å; I157-F188 HydrophobicContact CB-CE2 4.14Å; I157-F188 HydrophobicContact CB-CZ 3.84Å; I157-F188 HydrophobicContact CD1-CE2 4.17Å; I157-F188 HydrophobicContact CG2-CD1 3.99Å; I157-F188 HydrophobicContact CG2-CD2 3.96Å; I157-F188 HydrophobicContact CG2-CE1 3.69Å; I157-F188 HydrophobicContact CG2-CE2 3.66Å; I157-F188 HydrophobicContact CG2-CG 4.11Å; I157-F188 HydrophobicContact CG2-CZ 3.52Å; A158-F188 HydrophobicContact CB-CE1 4.2Å; L161-F188 HydrophobicContact CD1-CD1 3.73Å; L161-F188 HydrophobicContact CD1-CE1 4.32Å; L161-F188 HydrophobicContact CD1-CG 4.36Å; F184-F188 HydrophobicContact CB-CD2 3.98Å; F184-F188 HydrophobicContact CD1-CD2 4.41Å; F184-F188 HydrophobicContact CD1-CE2 4.11Å; F184-F188 HydrophobicContact CG-CD2 4.28Å; F184-F188 HydrophobicContact CG-CE2 4.33Å; F184-F188 WeakPolarHBondContact O-CA 3.35Å; F184-F188 WeakPolarHBondContact O-CB 3.46Å; F184-F188 WeakPolarHBondContact O-CD2 3.41Å; F184-F188 PolarHBondContact O-N 3.09Å; F188-V191 HydrophobicContact CB-CG2 4.05Å
189	P	84.3	Confident	88	Confident	120 Å²	120	50.7 Å²	50.7	78%	0.779	27%	0.27	S	S	*	.	S	Bend	trans	-76.3	-29.7	-170.8	29.1	-35.5	0	0	0	114.7
190	E	89.4	Confident	88.2	Confident	103 Å²	103	52 Å²	52	48%	0.481	28%	0.277	S	S	.	.			trans	-125.7	98.1	-177.3	-74.8	-170.1	165	0	0	111.2	S205 V206	E190-S205 PolarHBondContact OE2-OG 2.75Å; E190-V206 PolarHBondContact O-N 2.87Å
191	V	95	Very high	88.3	Confident	1 Å²	1	55 Å²	55	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.5	176.3	-171.9	0	0	0	0	109.5	Y181 F184 F188 N201 V206 I208	Y181-V191 HydrophobicContact CD2-CB 4.43Å; Y181-V191 HydrophobicContact CD2-CG1 3.79Å; Y181-V191 HydrophobicContact CE2-CB 4.34Å; Y181-V191 HydrophobicContact CE2-CG1 4.17Å; F184-V191 HydrophobicContact CB-CG1 4.3Å; F184-V191 HydrophobicContact CB-CG2 4.1Å; F184-V191 WeakPolarHBondContact O-CG2 3.36Å; F188-V191 HydrophobicContact CB-CG2 4.05Å; V191-N201 PolarHBondContact O-ND2 3.4Å; V191-V206 CarbonylContact C-O 3.58Å; V191-V206 WeakPolarHBondContact CA-O 3.44Å; V191-V206 HydrophobicContact CG1-CG1 4.36Å; V191-V206 HydrophobicContact CG2-CB 4.29Å; V191-I208 HydrophobicContact CG1-CD1 3.72Å; V191-I208 HydrophobicContact CG1-CG1 4.14Å
192	G	94.5	Very high	88.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.3	172.6	0	0	0	0	0	111.2	I200 N201 A204 V206 I208	G192-I200 CarbonylContact C-O 3.54Å; G192-I200 WeakPolarHBondContact CA-O 3.44Å; G192-N201 WeakPolarHBondContact CA-O 3.29Å; G192-A204 VanDerWaalsContact N-CB 3.31Å; G192-V206 PolarHBondContact N-O 3.38Å; G192-I208 PolarHBondContact O-N 2.93Å
193	L	94.1	Very high	88.3	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.5	177.4	178.2	68.1	0	0	0	108.9	N178 Y181 T195 T199 I200 I208 L1038	N178-L193 WeakPolarHBondContact OD1-CD2 3.39Å; Y181-L193 HydrophobicContact CD2-CB 3.75Å; Y181-L193 HydrophobicContact CE2-CB 4.21Å; Y181-L193 HydrophobicContact CG-CB 4.18Å; Y181-L193 HydrophobicContact CG-CD2 4.41Å; L193-T195 HydrophobicContact CD1-CG2 3.76Å; L193-T195 HydrophobicContact CG-CG2 4.07Å; L193-T199 CarbonylContact O-C 3.59Å; L193-T199 WeakPolarHBondContact O-CA 3.4Å; L193-I200 HydrophobicContact CB-CB 4.21Å; L193-I200 HydrophobicContact CD2-CD1 4.18Å; L193-I200 PolarHBondContact N-O 3.21Å; L193-I200 PolarHBondContact O-N 3.24Å; L193-I208 CarbonylContact C-O 3.58Å; L193-I208 WeakPolarHBondContact CA-O 3.43Å; L193-I208 HydrophobicContact CD1-CB 4.22Å; L193-I208 HydrophobicContact CD1-CG2 4.15Å; L193-L1038 HydrophobicContact CD2-CD2 3.76Å
194	L	92.2	Very high	88.5	Confident	13 Å²	13	51.4 Å²	51.4	7%	0.068	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	102.8	174.6	-68.8	80.4	0	0	0	109.1	T199 P202 L207 I208 M209 I213 M217	L194-T199 HydrophobicContact CG-CG2 4.41Å; L194-P202 HydrophobicContact CD1-CB 4.39Å; L194-P202 HydrophobicContact CD2-CB 4.34Å; L194-L207 HydrophobicContact CD1-CB 4.49Å; L194-L207 HydrophobicContact CD1-CD2 3.75Å; L194-I208 PolarHBondContact N-O 3.41Å; L194-M209 HydrophobicContact CB-CB 4.12Å; L194-M209 WeakPolarHBondContact O-CA 3.34Å; L194-M209 WeakPolarHBondContact O-CB 3.25Å; L194-I213 HydrophobicContact CB-CG2 4.12Å; L194-M217 HydrophobicContact CD2-CE 3.26Å
195	T	85.3	Confident	88.6	Confident	8 Å²	8	53.1 Å²	53.1	5%	0.049	31%	0.31	C	S	.	.			trans	-123	167.9	171.1	65.1	0	0	0	0	108.3	L193 D197 A198 T210	L193-T195 HydrophobicContact CD1-CG2 3.76Å; L193-T195 HydrophobicContact CG-CG2 4.07Å; T195-D197 PolarHBondContact O-N 3.39Å; T195-D197 VanDerWaalsContact O-N 3.17Å; T195-D197 PolarHBondContact OG1-N 3.46Å; T195-A198 PolarHBondContact N-O 3.15Å; T195-A198 PolarHBondContact OG1-N 3.25Å; T195-A198 PolarHBondContact OG1-O 2.87Å; T195-A198 VanDerWaalsContact OG1-O 3.08Å; T195-T210 HydrophobicContact CG2-CG2 4.49Å
196	G	75.7	Confident	88.8	Confident	36 Å²	36	47.5 Å²	47.5	37%	0.371	29%	0.286	S	S	.	.	S	Bend	trans	-57.1	-27.7	173.4	0	0	0	0	0	113.7
197	D	71.1	Confident	89.2	Confident	92 Å²	92	40.4 Å²	40.4	49%	0.492	25%	0.252	S	S	.	.	S	Bend	trans	-98.2	-30.8	-172.5	-51.6	-18.7	0	0	0	112.7	K174 T195	K174-D197 VanDerWaalsContact CD-OD2 3.3Å; K174-D197 WeakPolarHBondContact CD-OD2 3.47Å; K174-D197 IonicContact NZ-OD1 3.69Å; K174-D197 PolarHBondContact NZ-OD1 3.45Å; K174-D197 IonicContact NZ-OD2 3.78Å; K174-D197 PolarHBondContact NZ-OD2 3.46Å; T195-D197 PolarHBondContact O-N 3.39Å; T195-D197 VanDerWaalsContact O-N 3.17Å; T195-D197 PolarHBondContact OG1-N 3.46Å
198	A	79.7	Confident	89.5	Confident	22 Å²	22	38.4 Å²	38.4	18%	0.182	24%	0.236	C	C	.	.			trans	-137.7	129.3	-174.1	0	0	0	0	0	110.7	T195 L1038	T195-A198 PolarHBondContact N-O 3.15Å; T195-A198 PolarHBondContact OG1-N 3.25Å; T195-A198 PolarHBondContact OG1-O 2.87Å; T195-A198 VanDerWaalsContact OG1-O 3.08Å; A198-L1038 HydrophobicContact CB-CD1 4.11Å
199	T	88.2	Confident	89.7	Confident	97 Å²	97	37.7 Å²	37.7	60%	0.595	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	109	170.7	-62.2	0	0	0	0	108.3	L193 L194 P202	L193-T199 CarbonylContact O-C 3.59Å; L193-T199 WeakPolarHBondContact O-CA 3.4Å; L194-T199 HydrophobicContact CG-CG2 4.41Å; T199-P202 HydrophobicContact CG2-CB 4.1Å; T199-P202 HydrophobicContact CG2-CG 4.15Å
200	I	90.9	Very high	90.1	Very high	51 Å²	51	32.4 Å²	32.4	26%	0.262	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.9	-178.5	-53.3	176.9	0	0	0	107.9	Y181 G192 L193 L1038	Y181-I200 HydrophobicContact CE2-CG2 4.48Å; G192-I200 CarbonylContact C-O 3.54Å; G192-I200 WeakPolarHBondContact CA-O 3.44Å; L193-I200 HydrophobicContact CB-CB 4.21Å; L193-I200 HydrophobicContact CD2-CD1 4.18Å; L193-I200 PolarHBondContact N-O 3.21Å; L193-I200 PolarHBondContact O-N 3.24Å; I200-L1038 HydrophobicContact CD1-CD1 4.11Å; I200-L1038 HydrophobicContact CD1-CD2 3.72Å; I200-L1038 HydrophobicContact CD1-CG 4.44Å
201	N	91.9	Very high	90.3	Very high	68 Å²	68	27.5 Å²	27.5	36%	0.364	18%	0.175	S	C	.	.			trans	44.2	60.4	176.2	-166	13.5	0	0	0	114.4	V191 G192 S203 A204	V191-N201 PolarHBondContact O-ND2 3.4Å; G192-N201 WeakPolarHBondContact CA-O 3.29Å; N201-S203 PolarHBondContact O-N 3.25Å; N201-S203 VanDerWaalsContact O-N 3.12Å; N201-S203 PolarHBondContact OD1-OG 3.43Å; N201-A204 HydrophobicContact CB-CB 4.49Å; N201-A204 VanDerWaalsContact O-CB 3.28Å; N201-A204 WeakPolarHBondContact O-CB 3.42Å; N201-A204 PolarHBondContact O-N 2.94Å
202	P	90.2	Very high	90.1	Very high	58 Å²	58	29.9 Å²	29.9	38%	0.377	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.1	-175.8	28.7	-36.2	0	0	0	113.7	L194 T199 A204 M224	L194-P202 HydrophobicContact CD1-CB 4.39Å; L194-P202 HydrophobicContact CD2-CB 4.34Å; T199-P202 HydrophobicContact CG2-CB 4.1Å; T199-P202 HydrophobicContact CG2-CG 4.15Å; P202-A204 VanDerWaalsContact C-N 3.3Å; P202-M224 WeakPolarHBondContact O-CE 3.28Å
203	S	90.2	Very high	89.9	Confident	85 Å²	85	31.8 Å²	31.8	59%	0.594	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.5	175.3	46	0	0	0	0	114	R166 N201	R166-S203 PolarHBondContact NH1-O 3.01Å; N201-S203 PolarHBondContact O-N 3.25Å; N201-S203 VanDerWaalsContact O-N 3.12Å; N201-S203 PolarHBondContact OD1-OG 3.43Å
204	A	93	Very high	90	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	20%	0.196	C	C	.	.			trans	-61.1	156.2	-176.2	0	0	0	0	0	113.5	R166 G192 N201 P202 L207	R166-A204 PolarHBondContact NH1-O 3.36Å; G192-A204 VanDerWaalsContact N-CB 3.31Å; N201-A204 HydrophobicContact CB-CB 4.49Å; N201-A204 VanDerWaalsContact O-CB 3.28Å; N201-A204 WeakPolarHBondContact O-CB 3.42Å; N201-A204 PolarHBondContact O-N 2.94Å; P202-A204 VanDerWaalsContact C-N 3.3Å; A204-L207 HydrophobicContact CB-CD2 3.94Å; A204-L207 WeakPolarHBondContact O-CD2 3.29Å
205	S	93.6	Very high	90	Very high	37 Å²	37	32.4 Å²	32.4	26%	0.259	20%	0.198	S	C	.	.	S	Bend	trans	-73.7	-34.3	175.9	-58.7	0	0	0	0	112.5	R166 V167 E190	R166-S205 WeakPolarHBondContact CA-O 3.45Å; V167-S205 PolarHBondContact N-O 3.12Å; E190-S205 PolarHBondContact OE2-OG 2.75Å
206	V	96.4	Very high	90.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.5	173.3	-174.9	0	0	0	0	108.6	I157 L161 V167 E190 V191 G192	I157-V206 HydrophobicContact CD1-CG1 4.26Å; I157-V206 HydrophobicContact CG2-CG1 4.19Å; I157-V206 HydrophobicContact CG2-CG2 3.6Å; L161-V206 HydrophobicContact CD1-CG2 3.96Å; L161-V206 HydrophobicContact CD2-CG2 3.95Å; L161-V206 HydrophobicContact CG-CG2 4.2Å; V167-V206 HydrophobicContact CG1-CB 4.12Å; V167-V206 HydrophobicContact CG1-CG1 4.04Å; V167-V206 HydrophobicContact CG1-CG2 3.83Å; E190-V206 PolarHBondContact O-N 2.87Å; V191-V206 CarbonylContact C-O 3.58Å; V191-V206 WeakPolarHBondContact CA-O 3.44Å; V191-V206 HydrophobicContact CG1-CG1 4.36Å; V191-V206 HydrophobicContact CG2-CB 4.29Å; G192-V206 PolarHBondContact N-O 3.38Å
207	L	95.8	Very high	90.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.2	-178.7	-62.1	175.1	0	0	0	110.5	V167 I168 Y169 L194 A204 M209 M224	V167-L207 PolarHBondContact O-N 3.03Å; I168-L207 CarbonylContact C-O 3.51Å; I168-L207 WeakPolarHBondContact CA-O 3.33Å; I168-L207 HydrophobicContact CG1-CB 4.49Å; Y169-L207 PolarHBondContact N-O 3.02Å; L194-L207 HydrophobicContact CD1-CB 4.49Å; L194-L207 HydrophobicContact CD1-CD2 3.75Å; A204-L207 HydrophobicContact CB-CD2 3.94Å; A204-L207 WeakPolarHBondContact O-CD2 3.29Å; L207-M209 HydrophobicContact CB-CE 3.79Å; L207-M209 HydrophobicContact CD1-CE 4.28Å; L207-M224 HydrophobicContact CD1-CE 3.83Å; L207-M224 HydrophobicContact CD1-CG 4.21Å; L207-M224 HydrophobicContact CD1-SD 3.22Å; L207-M224 WeakPolarHBondContact CD1-SD 3.48Å
208	I	96.5	Very high	91.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128	174.8	-55.8	172.2	0	0	0	107.8	Y169 T171 K180 Y181 F184 V191 G192 L193 L194	Y169-I208 HydrophobicContact CD1-CG2 4.38Å; Y169-I208 WeakPolarHBondContact O-CA 3.19Å; T171-I208 HydrophobicContact CG2-CG2 4.49Å; K180-I208 VanDerWaalsContact C-CD1 3.44Å; K180-I208 HydrophobicContact CB-CD1 4.09Å; K180-I208 HydrophobicContact CB-CG2 4.39Å; Y181-I208 VanDerWaalsContact N-CD1 3.28Å; F184-I208 HydrophobicContact CB-CD1 4.31Å; F184-I208 HydrophobicContact CD2-CD1 3.68Å; F184-I208 HydrophobicContact CD2-CG1 4.18Å; F184-I208 HydrophobicContact CE2-CD1 4.47Å; F184-I208 HydrophobicContact CG-CD1 4.41Å; V191-I208 HydrophobicContact CG1-CD1 3.72Å; V191-I208 HydrophobicContact CG1-CG1 4.14Å; G192-I208 PolarHBondContact O-N 2.93Å; L193-I208 CarbonylContact C-O 3.58Å; L193-I208 WeakPolarHBondContact CA-O 3.43Å; L193-I208 HydrophobicContact CD1-CB 4.22Å; L193-I208 HydrophobicContact CD1-CG2 4.15Å; L194-I208 PolarHBondContact N-O 3.41Å
209	M	95.1	Very high	92.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	168.8	-179.3	62.1	-174.1	71.7	0	0	112.3	I168 Y169 T170 T171 L194 L207 I213 L214 M217	I168-M209 HydrophobicContact CD1-CE 4.1Å; I168-M209 HydrophobicContact CD1-SD 4.46Å; I168-M209 HydrophobicContact CG1-CE 4.23Å; I168-M209 HydrophobicContact CG2-CE 3.87Å; I168-M209 HydrophobicContact CG2-CG 3.8Å; I168-M209 HydrophobicContact CG2-SD 3.76Å; Y169-M209 PolarHBondContact O-N 2.9Å; T170-M209 CarbonylContact C-O 3.56Å; T170-M209 VanDerWaalsContact CA-O 3.32Å; T170-M209 WeakPolarHBondContact CA-O 3.18Å; T171-M209 PolarHBondContact N-O 3.08Å; T171-M209 PolarHBondContact OG1-O 3.45Å; L194-M209 HydrophobicContact CB-CB 4.12Å; L194-M209 WeakPolarHBondContact O-CA 3.34Å; L194-M209 WeakPolarHBondContact O-CB 3.25Å; L207-M209 HydrophobicContact CB-CE 3.79Å; L207-M209 HydrophobicContact CD1-CE 4.28Å; M209-I213 HydrophobicContact CB-CB 4.25Å; M209-I213 HydrophobicContact CB-CG2 4.3Å; M209-I213 HydrophobicContact SD-CG2 4.27Å; M209-L214 HydrophobicContact SD-CB 3.83Å; M209-L214 HydrophobicContact SD-CD1 4.27Å; M209-M217 HydrophobicContact CE-CE 4.49Å; M209-M217 HydrophobicContact CE-SD 4.33Å; M209-M217 HydrophobicContact SD-SD 4.36Å
210	T	93.1	Very high	92.1	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.055	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	156.7	166.5	73.9	0	0	0	0	110.1	T171 K174 T195 E212 I213 L214	T171-T210 WeakPolarHBondContact O-CA 3.36Å; K174-T210 HydrophobicContact CG-CG2 4.11Å; T195-T210 HydrophobicContact CG2-CG2 4.49Å; T210-E212 WeakPolarHBondContact CB-OE2 3.15Å; T210-E212 PolarHBondContact O-N 3.35Å; T210-E212 PolarHBondContact OG1-OE2 2.89Å; T210-I213 PolarHBondContact O-N 3Å; T210-I213 VanDerWaalsContact O-N 3.14Å; T210-L214 PolarHBondContact O-N 3.16Å
211	T	93.1	Very high	91.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-35.4	-179.1	-45.3	0	0	0	0	111.9	I213 L214 Q215 F233 V247 W248 T251	T211-I213 VanDerWaalsContact C-N 3.33Å; T211-I213 PolarHBondContact O-N 3.4Å; T211-L214 WeakPolarHBondContact O-CB 3.18Å; T211-L214 PolarHBondContact O-N 3.46Å; T211-Q215 PolarHBondContact O-N 3.17Å; T211-F233 HydrophobicContact CG2-CE1 4.33Å; T211-V247 HydrophobicContact CG2-CG1 3.95Å; T211-W248 HydrophobicContact CG2-CD2 4.05Å; T211-W248 HydrophobicContact CG2-CG 3.99Å; T211-W248 VanDerWaalsContact OG1-CE2 3.26Å; T211-W248 WeakPolarHBondContact OG1-CZ2 3.45Å; T211-W248 PolarHBondContact OG1-NE1 2.82Å; T211-T251 HydrophobicContact CG2-CG2 4.34Å
212	E	90.8	Very high	91.3	Very high	50 Å²	50	29.6 Å²	29.6	23%	0.234	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-37.2	178.1	-61.9	73.7	-164.2	0	0	112.7	T210 L214 Q215 S216 R244 V247	T210-E212 WeakPolarHBondContact CB-OE2 3.15Å; T210-E212 PolarHBondContact O-N 3.35Å; T210-E212 PolarHBondContact OG1-OE2 2.89Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-Q215 PolarHBondContact O-N 2.87Å; E212-S216 WeakPolarHBondContact O-CB 3.43Å; E212-S216 PolarHBondContact O-N 3.11Å; E212-R244 VanDerWaalsContact CD-NH2 3.34Å; E212-R244 IonicContact OE1-CZ 2.71Å; E212-R244 VanDerWaalsContact OE1-CZ 3.24Å; E212-R244 IonicContact OE1-NE 3.4Å; E212-R244 PolarHBondContact OE1-NE 3.38Å; E212-R244 VanDerWaalsContact OE1-NE 3.08Å; E212-R244 IonicContact OE1-NH2 2.83Å; E212-R244 PolarHBondContact OE1-NH2 2.93Å; E212-R244 IonicContact OE2-NH2 3.98Å; E212-R244 PolarHBondContact OE2-NH2 2.9Å; E212-V247 HydrophobicContact CG-CG1 4.18Å
213	I	92.2	Very high	91	Very high	41 Å²	41	31.3 Å²	31.3	21%	0.21	20%	0.195	C	C	.	.	H	α-helix	trans	-67.7	-40.9	177.8	-61.2	-60	0	0	0	109.9	L194 M209 T210 T211 S216 M217	L194-I213 HydrophobicContact CB-CG2 4.12Å; M209-I213 HydrophobicContact CB-CB 4.25Å; M209-I213 HydrophobicContact CB-CG2 4.3Å; M209-I213 HydrophobicContact SD-CG2 4.27Å; T210-I213 PolarHBondContact O-N 3Å; T210-I213 VanDerWaalsContact O-N 3.14Å; T211-I213 VanDerWaalsContact C-N 3.33Å; T211-I213 PolarHBondContact O-N 3.4Å; I213-S216 PolarHBondContact O-N 3.3Å; I213-M217 HydrophobicContact CG2-CE 4.13Å; I213-M217 WeakPolarHBondContact O-CG 3.45Å; I213-M217 PolarHBondContact O-N 2.96Å
214	L	94.6	Very high	90.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-45	175.4	-177.9	56.3	0	0	0	111.5	I168 T170 M209 T210 T211 E212 S216 M217 L218 V231 T251	I168-L214 HydrophobicContact CD1-CD1 3.77Å; I168-L214 HydrophobicContact CG2-CD2 4.32Å; T170-L214 HydrophobicContact CG2-CB 4.47Å; T170-L214 HydrophobicContact CG2-CD2 3.64Å; M209-L214 HydrophobicContact SD-CB 3.83Å; M209-L214 HydrophobicContact SD-CD1 4.27Å; T210-L214 PolarHBondContact O-N 3.16Å; T211-L214 WeakPolarHBondContact O-CB 3.18Å; T211-L214 PolarHBondContact O-N 3.46Å; E212-L214 VanDerWaalsContact C-N 3.34Å; L214-S216 VanDerWaalsContact C-N 3.35Å; L214-S216 PolarHBondContact O-N 3.37Å; L214-M217 WeakPolarHBondContact O-CB 3.42Å; L214-M217 PolarHBondContact O-N 2.85Å; L214-M217 VanDerWaalsContact O-N 3.17Å; L214-L218 HydrophobicContact CG-CD1 4.21Å; L214-L218 WeakPolarHBondContact O-CG 3.19Å; L214-L218 PolarHBondContact O-N 3.08Å; L214-V231 HydrophobicContact CD2-CG1 4.09Å; L214-T251 HydrophobicContact CB-CG2 4.25Å; L214-T251 HydrophobicContact CD2-CG2 3.56Å; L214-T251 HydrophobicContact CG-CG2 3.71Å
215	Q	92.4	Very high	90.4	Very high	25 Å²	25	29.2 Å²	29.2	12%	0.117	18%	0.177	C	C	.	.	H	α-helix	trans	-55.8	-48.3	174.5	-172	-161.6	30.7	0	0	111.5	T211 E212 M217 L218 Y219 V247 E250 T251	T211-Q215 PolarHBondContact O-N 3.17Å; E212-Q215 PolarHBondContact O-N 2.87Å; Q215-M217 VanDerWaalsContact C-N 3.29Å; Q215-M217 PolarHBondContact O-N 3.04Å; Q215-L218 WeakPolarHBondContact O-CB 3.29Å; Q215-L218 PolarHBondContact O-N 3.42Å; Q215-L218 VanDerWaalsContact O-N 3.1Å; Q215-Y219 HydrophobicContact CG-CD2 3.97Å; Q215-Y219 HydrophobicContact CG-CE2 3.61Å; Q215-Y219 PolarHBondContact O-N 3.26Å; Q215-V247 HydrophobicContact CB-CG1 4.11Å; Q215-V247 HydrophobicContact CG-CG1 4.38Å; Q215-E250 PolarHBondContact NE2-OE2 3.2Å; Q215-T251 WeakPolarHBondContact CB-OG1 3.41Å
216	S	88.9	Confident	90.1	Very high	40 Å²	40	37.7 Å²	37.7	28%	0.28	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-38.5	177.8	-167.5	0	0	0	0	112.2	E212 I213 L214 K220	E212-S216 WeakPolarHBondContact O-CB 3.43Å; E212-S216 PolarHBondContact O-N 3.11Å; I213-S216 PolarHBondContact O-N 3.3Å; L214-S216 VanDerWaalsContact C-N 3.35Å; L214-S216 PolarHBondContact O-N 3.37Å; S216-K220 WeakPolarHBondContact O-CB 3.34Å; S216-K220 WeakPolarHBondContact O-CG 3.49Å; S216-K220 PolarHBondContact O-N 3.46Å; S216-K220 VanDerWaalsContact O-N 3.08Å
217	M	90.2	Very high	89.8	Confident	30 Å²	30	42.8 Å²	42.8	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-38.8	174.7	-73.6	-174.4	174.5	0	0	112.6	L194 M209 I213 L214 Q215 K220 G221 A222 M224 V225	L194-M217 HydrophobicContact CD2-CE 3.26Å; M209-M217 HydrophobicContact CE-CE 4.49Å; M209-M217 HydrophobicContact CE-SD 4.33Å; M209-M217 HydrophobicContact SD-SD 4.36Å; I213-M217 HydrophobicContact CG2-CE 4.13Å; I213-M217 WeakPolarHBondContact O-CG 3.45Å; I213-M217 PolarHBondContact O-N 2.96Å; L214-M217 WeakPolarHBondContact O-CB 3.42Å; L214-M217 PolarHBondContact O-N 2.85Å; L214-M217 VanDerWaalsContact O-N 3.17Å; Q215-M217 VanDerWaalsContact C-N 3.29Å; Q215-M217 PolarHBondContact O-N 3.04Å; M217-K220 PolarHBondContact O-N 3.31Å; M217-G221 PolarHBondContact O-N 2.95Å; M217-G221 VanDerWaalsContact O-N 3.13Å; M217-A222 HydrophobicContact CB-CB 3.94Å; M217-A222 HydrophobicContact CG-CB 4.27Å; M217-A222 WeakPolarHBondContact O-CB 3.4Å; M217-A222 PolarHBondContact O-N 2.67Å; M217-M224 HydrophobicContact CE-SD 4.34Å; M217-M224 HydrophobicContact SD-SD 4.24Å; M217-V225 HydrophobicContact CB-CG2 4.36Å
218	L	91.3	Very high	89.7	Confident	25 Å²	25	43.1 Å²	43.1	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-47.5	177	-68.5	164.7	0	0	0	110.9	L214 Q215 K220 G221 V225 T251 L254 L255	L214-L218 HydrophobicContact CG-CD1 4.21Å; L214-L218 WeakPolarHBondContact O-CG 3.19Å; L214-L218 PolarHBondContact O-N 3.08Å; Q215-L218 WeakPolarHBondContact O-CB 3.29Å; Q215-L218 PolarHBondContact O-N 3.42Å; Q215-L218 VanDerWaalsContact O-N 3.1Å; L218-K220 PolarHBondContact O-N 3.21Å; L218-G221 PolarHBondContact O-N 3.43Å; L218-V225 HydrophobicContact CD2-CG1 3.69Å; L218-V225 HydrophobicContact CD2-CG2 4.19Å; L218-T251 HydrophobicContact CD1-CG2 3.82Å; L218-L254 HydrophobicContact CB-CB 4.27Å; L218-L254 HydrophobicContact CB-CD1 4.33Å; L218-L254 HydrophobicContact CD1-CB 4.03Å; L218-L255 HydrophobicContact CD1-CD2 4.31Å; L218-L255 HydrophobicContact CD1-CG 4.22Å; L218-L255 HydrophobicContact CD2-CD2 4.17Å
219	Y	88.7	Confident	89.6	Confident	12 Å²	12	43.3 Å²	43.3	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-27.6	175.9	-74.3	-43.5	0	0	0	114.2	Q215 E250 L254 N553 L554 R556	Q215-Y219 HydrophobicContact CG-CD2 3.97Å; Q215-Y219 HydrophobicContact CG-CE2 3.61Å; Q215-Y219 PolarHBondContact O-N 3.26Å; Y219-E250 VanDerWaalsContact OH-CD 3.3Å; Y219-E250 PolarHBondContact OH-OE2 2.99Å; Y219-L254 HydrophobicContact CD1-CD1 4.05Å; Y219-L254 HydrophobicContact CE1-CD1 3.65Å; Y219-N553 HydrophobicContact CD1-CB 3.63Å; Y219-N553 HydrophobicContact CD2-CB 4.01Å; Y219-N553 HydrophobicContact CE1-CB 3.78Å; Y219-N553 HydrophobicContact CE2-CB 4.15Å; Y219-N553 HydrophobicContact CG-CB 3.76Å; Y219-L554 HydrophobicContact CE1-CD2 3.99Å; Y219-L554 HydrophobicContact CE1-CG 4.34Å; Y219-R556 PolarHBondContact O-NH2 3.25Å
220	K	85.3	Confident	89.7	Confident	123 Å²	123	43.4 Å²	43.4	54%	0.535	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.7	176.3	-69.7	173.7	-178.8	173.2	0	113.5	S216 M217 L218 A222	S216-K220 WeakPolarHBondContact O-CB 3.34Å; S216-K220 WeakPolarHBondContact O-CG 3.49Å; S216-K220 PolarHBondContact O-N 3.46Å; S216-K220 VanDerWaalsContact O-N 3.08Å; M217-K220 PolarHBondContact O-N 3.31Å; L218-K220 PolarHBondContact O-N 3.21Å; K220-A222 VanDerWaalsContact C-N 3.32Å; K220-A222 PolarHBondContact O-N 2.98Å
221	G	83.4	Confident	89.9	Confident	56 Å²	56	43 Å²	43	58%	0.577	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	38.3	-177.7	0	0	0	0	0	113	M217 L218 S223	M217-G221 PolarHBondContact O-N 2.95Å; M217-G221 VanDerWaalsContact O-N 3.13Å; L218-G221 PolarHBondContact O-N 3.43Å; G221-S223 PolarHBondContact O-N 3.09Å
222	A	82.9	Confident	90.2	Very high	30 Å²	30	43 Å²	43	25%	0.248	23%	0.229	C	C	.	.			trans	-56.5	129.1	-175.9	0	0	0	0	0	111.6	M217 K220 M224 V225	M217-A222 HydrophobicContact CB-CB 3.94Å; M217-A222 HydrophobicContact CG-CB 4.27Å; M217-A222 WeakPolarHBondContact O-CB 3.4Å; M217-A222 PolarHBondContact O-N 2.67Å; K220-A222 VanDerWaalsContact C-N 3.32Å; K220-A222 PolarHBondContact O-N 2.98Å; A222-M224 PolarHBondContact O-N 2.87Å; A222-M224 VanDerWaalsContact O-N 3.11Å; A222-V225 HydrophobicContact CB-CG2 4.38Å; A222-V225 PolarHBondContact O-N 3.24Å; A222-V225 VanDerWaalsContact O-N 3.11Å
223	S	83.9	Confident	90.5	Very high	93 Å²	93	40.6 Å²	40.6	65%	0.65	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-56.8	-31.3	-178.3	53.8	0	0	0	0	113.2	G221 V225 R226	G221-S223 PolarHBondContact O-N 3.09Å; S223-V225 VanDerWaalsContact C-N 3.27Å; S223-V225 PolarHBondContact O-N 3Å; S223-R226 WeakPolarHBondContact O-CB 3.29Å; S223-R226 PolarHBondContact O-N 3.48Å
224	M	85	Confident	90.5	Very high	31 Å²	31	39.1 Å²	39.1	15%	0.153	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-55.1	-37.6	177.8	-179.5	-174.3	-74.1	0	0	113.4	P202 L207 M217 A222 R226 E227	P202-M224 WeakPolarHBondContact O-CE 3.28Å; L207-M224 HydrophobicContact CD1-CE 3.83Å; L207-M224 HydrophobicContact CD1-CG 4.21Å; L207-M224 HydrophobicContact CD1-SD 3.22Å; L207-M224 WeakPolarHBondContact CD1-SD 3.48Å; M217-M224 HydrophobicContact CE-SD 4.34Å; M217-M224 HydrophobicContact SD-SD 4.24Å; A222-M224 PolarHBondContact O-N 2.87Å; A222-M224 VanDerWaalsContact O-N 3.11Å; M224-R226 PolarHBondContact O-N 2.92Å; M224-R226 VanDerWaalsContact O-N 3.15Å; M224-E227 PolarHBondContact O-N 3Å
225	V	86.4	Confident	90.4	Very high	11 Å²	11	39.9 Å²	39.9	7%	0.067	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.3	-27.5	-177.3	180	0	0	0	0	111.4	M217 L218 A222 S223 E227 V228 P256	M217-V225 HydrophobicContact CB-CG2 4.36Å; L218-V225 HydrophobicContact CD2-CG1 3.69Å; L218-V225 HydrophobicContact CD2-CG2 4.19Å; A222-V225 HydrophobicContact CB-CG2 4.38Å; A222-V225 PolarHBondContact O-N 3.24Å; A222-V225 VanDerWaalsContact O-N 3.11Å; S223-V225 VanDerWaalsContact C-N 3.27Å; S223-V225 PolarHBondContact O-N 3Å; V225-E227 VanDerWaalsContact C-N 3.27Å; V225-E227 PolarHBondContact O-N 3.27Å; V225-V228 PolarHBondContact O-N 3.47Å; V225-P256 HydrophobicContact CG1-CG 4.22Å
226	R	86.6	Confident	90.4	Very high	215 Å²	215	38.7 Å²	38.7	81%	0.811	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-70.4	-20.6	179	-58.7	-179.1	178.6	-179.6	-1.8	113.7	S223 M224	S223-R226 WeakPolarHBondContact O-CB 3.29Å; S223-R226 PolarHBondContact O-N 3.48Å; M224-R226 PolarHBondContact O-N 2.92Å; M224-R226 VanDerWaalsContact O-N 3.15Å
227	E	89.9	Confident	90.5	Very high	108 Å²	108	37.4 Å²	37.4	51%	0.505	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-94.9	-3.7	-179.5	-63.4	177.4	-172.9	0	0	112.8	R166 M224 V225	R166-E227 HydrophobicContact CG-CB 4.22Å; R166-E227 IonicContact CZ-OE2 2.65Å; R166-E227 PolarHBondContact N-O 2.9Å; R166-E227 IonicContact NE-OE2 2.87Å; R166-E227 PolarHBondContact NE-OE2 3.34Å; R166-E227 IonicContact NH2-OE2 3.02Å; R166-E227 PolarHBondContact NH2-OE2 2.84Å; M224-E227 PolarHBondContact O-N 3Å; V225-E227 VanDerWaalsContact C-N 3.27Å; V225-E227 PolarHBondContact O-N 3.27Å
228	V	94.3	Very high	90.4	Very high	7 Å²	7	37 Å²	37	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.5	-176.6	-178.6	0	0	0	0	109.8	R166 I168 V225 W230 V231	R166-V228 HydrophobicContact CB-CG2 4.39Å; I168-V228 HydrophobicContact CD1-CG1 4.25Å; I168-V228 HydrophobicContact CD1-CG2 3.59Å; I168-V228 HydrophobicContact CG1-CG1 4.13Å; I168-V228 HydrophobicContact CG1-CG2 3.94Å; V225-V228 PolarHBondContact O-N 3.47Å; V228-W230 VanDerWaalsContact CG1-O 3.31Å; V228-W230 WeakPolarHBondContact CG1-O 3.48Å; V228-V231 HydrophobicContact CG1-CG2 3.72Å
229	G	94.4	Very high	90.4	Very high	4 Å²	4	35.8 Å²	35.8	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-36	171.3	0	0	0	0	0	112.5	R166 R260	R166-G229 PolarHBondContact O-N 3.36Å; G229-R260 PolarHBondContact O-N 3.35Å
230	W	97.1	Very high	90.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.7	-173.3	-72.1	83.2	0	0	0	112.2	I133 N136 A160 R166 V167 I168 V228 R260 V262	I133-W230 HydrophobicContact CB-CH2 4.28Å; I133-W230 HydrophobicContact CG1-CH2 4.24Å; I133-W230 HydrophobicContact CG1-CZ3 4.29Å; I133-W230 HydrophobicContact CG2-CH2 3.98Å; I133-W230 HydrophobicContact CG2-CZ2 4.15Å; N136-W230 WeakPolarHBondContact OD1-CZ2 3.47Å; A160-W230 HydrophobicContact CB-CB 4.47Å; A160-W230 HydrophobicContact CB-CG 4.34Å; R166-W230 PolarHBondContact O-N 3.03Å; V167-W230 WeakPolarHBondContact CA-O 3.33Å; V167-W230 HydrophobicContact CB-CB 4.34Å; V167-W230 HydrophobicContact CG2-CB 3.89Å; I168-W230 PolarHBondContact N-O 2.95Å; V228-W230 VanDerWaalsContact CG1-O 3.31Å; V228-W230 WeakPolarHBondContact CG1-O 3.48Å; W230-R260 CarbonylContact C-O 3.6Å; W230-R260 WeakPolarHBondContact CA-O 3.26Å; W230-R260 HydrophobicContact CD2-CB 3.68Å; W230-R260 HydrophobicContact CE3-CB 3.54Å; W230-R260 HydrophobicContact CG-CB 4.44Å; W230-R260 HydrophobicContact CH2-CB 3.69Å; W230-R260 HydrophobicContact CH2-CG 4.29Å; W230-R260 HydrophobicContact CZ2-CB 3.81Å; W230-R260 HydrophobicContact CZ2-CG 4.14Å; W230-R260 HydrophobicContact CZ3-CB 3.55Å; W230-V262 HydrophobicContact CE3-CG2 3.93Å; W230-V262 HydrophobicContact CZ3-CG2 3.84Å
231	V	97.6	Very high	90.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.9	169.2	-179	0	0	0	0	109.1	I168 T170 L214 V228 F233 L255 V259 R260 Y261 V262	I168-V231 HydrophobicContact CB-CG2 4.31Å; I168-V231 CarbonylContact O-C 3.53Å; I168-V231 WeakPolarHBondContact O-CA 3.47Å; T170-V231 HydrophobicContact CG2-CG1 4.23Å; L214-V231 HydrophobicContact CD2-CG1 4.09Å; V228-V231 HydrophobicContact CG1-CG2 3.72Å; V231-F233 HydrophobicContact CB-CE2 4.19Å; V231-F233 HydrophobicContact CG1-CD2 3.87Å; V231-F233 HydrophobicContact CG1-CE2 3.41Å; V231-F233 VanDerWaalsContact CG1-CE2 3.41Å; V231-F233 HydrophobicContact CG1-CZ 3.78Å; V231-L255 HydrophobicContact CG1-CD1 4.36Å; V231-L255 HydrophobicContact CG2-CD1 4.33Å; V231-L255 HydrophobicContact CG2-CD2 4.16Å; V231-V259 HydrophobicContact CB-CG1 4.06Å; V231-V259 HydrophobicContact CG2-CG1 3.53Å; V231-R260 PolarHBondContact N-O 3.13Å; V231-Y261 HydrophobicContact CB-CD1 4.32Å; V231-Y261 WeakPolarHBondContact O-CA 3.27Å; V231-V262 PolarHBondContact O-N 2.95Å
232	I	97.8	Very high	90.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.8	178.7	-54.3	173	0	0	0	107.2	A153 A156 I157 V167 I168 Y169 T170 V262 L264	A153-I232 HydrophobicContact CB-CD1 4.02Å; A153-I232 HydrophobicContact CB-CG2 3.96Å; A156-I232 HydrophobicContact CB-CD1 4.04Å; I157-I232 HydrophobicContact CD1-CD1 4.2Å; I157-I232 HydrophobicContact CG1-CD1 3.71Å; V167-I232 HydrophobicContact CG2-CD1 3.9Å; V167-I232 HydrophobicContact CG2-CG1 4.22Å; I168-I232 PolarHBondContact O-N 2.92Å; Y169-I232 HydrophobicContact CD2-CB 3.78Å; Y169-I232 HydrophobicContact CD2-CD1 3.93Å; Y169-I232 HydrophobicContact CD2-CG1 4.44Å; Y169-I232 HydrophobicContact CD2-CG2 3.62Å; Y169-I232 HydrophobicContact CE2-CB 4.33Å; Y169-I232 HydrophobicContact CE2-CG2 3.64Å; Y169-I232 HydrophobicContact CG-CB 4.42Å; T170-I232 PolarHBondContact N-O 3.35Å; T170-I232 PolarHBondContact OG1-O 3.4Å; I232-V262 CarbonylContact C-O 3.56Å; I232-V262 WeakPolarHBondContact CA-O 3.47Å; I232-V262 HydrophobicContact CB-CB 4.5Å; I232-V262 HydrophobicContact CG1-CB 4.14Å; I232-V262 HydrophobicContact CG2-CB 4.23Å; I232-V262 HydrophobicContact CG2-CG1 4.34Å; I232-L264 HydrophobicContact CG2-CD1 4.42Å
233	F	96.8	Very high	90.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	102	175	-74.2	-84.2	0	0	0	109.7	T170 T211 V231 I236 W248 T251 I252 L255 Y261 V262 F263 L264	T170-F233 HydrophobicContact CG2-CE1 4.38Å; T170-F233 WeakPolarHBondContact OG1-CA 3.45Å; T170-F233 WeakPolarHBondContact OG1-CD1 3.49Å; T211-F233 HydrophobicContact CG2-CE1 4.33Å; V231-F233 HydrophobicContact CB-CE2 4.19Å; V231-F233 HydrophobicContact CG1-CD2 3.87Å; V231-F233 HydrophobicContact CG1-CE2 3.41Å; V231-F233 VanDerWaalsContact CG1-CE2 3.41Å; V231-F233 HydrophobicContact CG1-CZ 3.78Å; F233-I236 HydrophobicContact CB-CB 4.49Å; F233-I236 HydrophobicContact CB-CD1 4.21Å; F233-I236 HydrophobicContact CD1-CD1 4.43Å; F233-I236 HydrophobicContact CG-CD1 4.43Å; F233-W248 AromaticContact CD1-CD1 3.93Å; F233-T251 HydrophobicContact CE1-CG2 4.17Å; F233-T251 HydrophobicContact CZ-CG2 4.06Å; F233-I252 HydrophobicContact CE1-CG1 4.2Å; F233-I252 HydrophobicContact CE2-CG1 4Å; F233-I252 HydrophobicContact CZ-CG1 3.71Å; F233-L255 HydrophobicContact CE2-CD1 3.97Å; F233-L255 HydrophobicContact CZ-CD1 3.77Å; F233-Y261 HydrophobicContact CE2-CD1 4.11Å; F233-V262 PolarHBondContact N-O 3.39Å; F233-F263 HydrophobicContact CB-CD1 3.67Å; F233-F263 HydrophobicContact CB-CE1 4.19Å; F233-F263 AromaticContact CD2-CD1 3.76Å; F233-F263 HydrophobicContact CD2-CD1 3.76Å; F233-F263 AromaticContact CD2-CE1 3.4Å; F233-F263 HydrophobicContact CD2-CE1 3.4Å; F233-F263 HydrophobicContact CD2-CZ 4.3Å; F233-F263 AromaticContact CE2-CE1 3.96Å; F233-F263 HydrophobicContact CE2-CE1 3.96Å; F233-F263 AromaticContact CG-CD1 3.98Å; F233-F263 HydrophobicContact CG-CD1 3.98Å; F233-F263 AromaticContact CG-CE1 3.97Å; F233-F263 HydrophobicContact CG-CE1 3.97Å; F233-L264 PolarHBondContact O-N 3.3Å
234	D	94	Very high	90.6	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.053	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	141.2	174.1	-155.7	4.7	0	0	0	111	Y169 T170 I236	Y169-D234 HydrophobicContact CE1-CB 3.89Å; Y169-D234 PolarHBondContact OH-OD2 3.05Å; T170-D234 WeakPolarHBondContact O-CB 3.42Å; T170-D234 PolarHBondContact O-N 3.18Å; D234-I236 PolarHBondContact O-N 3.32Å
235	E	91.3	Very high	90.8	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.075	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.8	-179.2	-56.1	-81	116	0	0	114.3	P172 H237 Y238 L264	P172-E235 HydrophobicContact CG-CB 4.05Å; P172-E235 HydrophobicContact CG-CG 4.37Å; E235-H237 PolarHBondContact O-N 3.39Å; E235-H237 IonicContact OE2-CE1 3.41Å; E235-H237 PolarHBondContact OE2-CE1 3.48Å; E235-H237 IonicContact OE2-NE2 3.27Å; E235-H237 PolarHBondContact OE2-NE2 3.23Å; E235-Y238 HydrophobicContact CB-CD2 3.48Å; E235-Y238 VanDerWaalsContact CB-CD2 3.48Å; E235-Y238 HydrophobicContact CB-CE2 3.57Å; E235-Y238 HydrophobicContact CG-CE2 4.16Å; E235-Y238 WeakPolarHBondContact O-CD2 3.47Å; E235-Y238 PolarHBondContact O-N 3.42Å; E235-L264 CarbonylContact C-O 3.59Å; E235-L264 VanDerWaalsContact CA-O 3.26Å; E235-L264 WeakPolarHBondContact CA-O 3.46Å; E235-L264 PolarHBondContact N-O 2.92Å
236	I	93.1	Very high	91	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-55.4	-19.5	-174.5	-171.9	57.5	0	0	0	114.7	L140 F233 D234 Y238 M239 W248 I252 F263 L264 I268 F274	L140-I236 HydrophobicContact CD1-CG2 3.99Å; F233-I236 HydrophobicContact CB-CB 4.49Å; F233-I236 HydrophobicContact CB-CD1 4.21Å; F233-I236 HydrophobicContact CD1-CD1 4.43Å; F233-I236 HydrophobicContact CG-CD1 4.43Å; D234-I236 PolarHBondContact O-N 3.32Å; I236-Y238 PolarHBondContact O-N 2.92Å; I236-Y238 VanDerWaalsContact O-N 3.11Å; I236-M239 VanDerWaalsContact O-CB 3.23Å; I236-M239 WeakPolarHBondContact O-CB 3.48Å; I236-M239 PolarHBondContact O-N 3.46Å; I236-W248 HydrophobicContact CD1-CG 4.33Å; I236-I252 HydrophobicContact CD1-CD1 3.95Å; I236-F263 HydrophobicContact CB-CB 4.45Å; I236-F263 HydrophobicContact CB-CD1 4.36Å; I236-F263 HydrophobicContact CD1-CD1 4.12Å; I236-F263 HydrophobicContact CD1-CE1 4.47Å; I236-F263 HydrophobicContact CG1-CD1 3.88Å; I236-F263 HydrophobicContact CG2-CB 4.09Å; I236-L264 PolarHBondContact N-O 3.28Å; I236-I268 HydrophobicContact CG2-CD1 4.26Å; I236-F274 HydrophobicContact CD1-CZ 4.33Å; I236-F274 HydrophobicContact CG1-CE2 4.26Å; I236-F274 HydrophobicContact CG1-CZ 3.81Å
237	H	90.5	Very high	91.3	Very high	12 Å²	12	30 Å²	30	6%	0.056	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-64.5	-10.2	174.5	60.1	-88.2	0	0	0	114.8	E235 M239 R240 S265 A266 I268	E235-H237 PolarHBondContact O-N 3.39Å; E235-H237 IonicContact OE2-CE1 3.41Å; E235-H237 PolarHBondContact OE2-CE1 3.48Å; E235-H237 IonicContact OE2-NE2 3.27Å; E235-H237 PolarHBondContact OE2-NE2 3.23Å; H237-M239 PolarHBondContact O-N 3.06Å; H237-R240 PolarHBondContact O-N 2.66Å; H237-R240 PolarHBondContact O-NE 3.03Å; H237-R240 VanDerWaalsContact O-NE 3.1Å; H237-S265 VanDerWaalsContact CB-OG 3.28Å; H237-S265 WeakPolarHBondContact CB-OG 3.41Å; H237-S265 PolarHBondContact N-OG 3.42Å; H237-S265 PolarHBondContact ND1-OG 3.19Å; H237-A266 PolarHBondContact ND1-N 3.41Å; H237-I268 HydrophobicContact CB-CD1 4.3Å; H237-I268 HydrophobicContact CB-CG1 4.28Å
238	Y	88.1	Confident	91.5	Very high	21 Å²	21	25 Å²	25	8%	0.082	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-66.7	-10.4	166.1	-79.1	-66.4	0	0	0	113.8	P172 E235 I236 R240 D241 M468 Q500	P172-Y238 HydrophobicContact CB-CD2 3.67Å; P172-Y238 HydrophobicContact CB-CE2 4.09Å; P172-Y238 HydrophobicContact CB-CG 4.15Å; P172-Y238 HydrophobicContact CG-CD2 3.76Å; P172-Y238 HydrophobicContact CG-CE2 3.85Å; E235-Y238 HydrophobicContact CB-CD2 3.48Å; E235-Y238 VanDerWaalsContact CB-CD2 3.48Å; E235-Y238 HydrophobicContact CB-CE2 3.57Å; E235-Y238 HydrophobicContact CG-CE2 4.16Å; E235-Y238 WeakPolarHBondContact O-CD2 3.47Å; E235-Y238 PolarHBondContact O-N 3.42Å; I236-Y238 PolarHBondContact O-N 2.92Å; I236-Y238 VanDerWaalsContact O-N 3.11Å; Y238-R240 PolarHBondContact O-N 3.48Å; Y238-D241 WeakPolarHBondContact O-CB 3.36Å; Y238-D241 PolarHBondContact O-N 3.08Å; Y238-M468 HydrophobicContact CD1-CE 4.24Å; Y238-M468 HydrophobicContact CE1-CE 3.26Å; Y238-M468 WeakPolarHBondContact OH-CB 3.33Å; Y238-M468 WeakPolarHBondContact OH-CE 3.27Å; Y238-M468 WeakPolarHBondContact OH-CG 3.26Å; Y238-Q500 PolarHBondContact OH-NE2 3.08Å
239	M	90.9	Very high	91.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17.9	169.1	-167.8	-177.9	103.9	0	0	113	I236 H237 D241 G245 W248 E249 F274 W277 L540 F570	I236-M239 VanDerWaalsContact O-CB 3.23Å; I236-M239 WeakPolarHBondContact O-CB 3.48Å; I236-M239 PolarHBondContact O-N 3.46Å; H237-M239 PolarHBondContact O-N 3.06Å; M239-D241 VanDerWaalsContact C-N 3.28Å; M239-G245 WeakPolarHBondContact O-CA 3.29Å; M239-W248 HydrophobicContact CB-CB 4.16Å; M239-W248 HydrophobicContact CG-CB 3.99Å; M239-E249 HydrophobicContact CE-CG 3.9Å; M239-E249 HydrophobicContact CG-CG 3.61Å; M239-E249 HydrophobicContact SD-CG 3.59Å; M239-E249 VanDerWaalsContact SD-CG 3.59Å; M239-F274 HydrophobicContact CE-CD2 4.36Å; M239-F274 HydrophobicContact CE-CE2 4.24Å; M239-F274 HydrophobicContact SD-CE2 3.83Å; M239-W277 HydrophobicContact SD-CZ3 4.3Å; M239-L540 HydrophobicContact CB-CD1 4.14Å; M239-L540 HydrophobicContact CE-CD1 4.42Å; M239-L540 HydrophobicContact CE-CD2 3.91Å; M239-L540 HydrophobicContact CE-CG 4.05Å; M239-F570 HydrophobicContact CE-CB 3.99Å; M239-F570 HydrophobicContact CE-CD1 3.18Å; M239-F570 HydrophobicContact CE-CE1 3.76Å; M239-F570 HydrophobicContact CE-CG 3.76Å
240	R	88.9	Confident	91.3	Very high	62 Å²	62	24.6 Å²	24.6	23%	0.234	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-76.8	-11.9	172.1	-65.2	178.9	-77.7	-166.3	7.4	114.1	H237 Y238 P242 P538 P539 L540	H237-R240 PolarHBondContact O-N 2.66Å; H237-R240 PolarHBondContact O-NE 3.03Å; H237-R240 VanDerWaalsContact O-NE 3.1Å; Y238-R240 PolarHBondContact O-N 3.48Å; R240-P242 WeakPolarHBondContact O-CD 3.24Å; R240-P538 PolarHBondContact NH1-O 2.82Å; R240-P539 WeakPolarHBondContact CD-O 3.19Å; R240-L540 HydrophobicContact CG-CD1 3.53Å; R240-L540 HydrophobicContact CG-CG 4.41Å
241	D	87.8	Confident	91.1	Very high	52 Å²	52	24.5 Å²	24.5	28%	0.278	12%	0.12	S	C	.	.			trans	-61.5	123.5	-177.3	-172.5	-96.2	0	0	0	109.3	Y238 M239 E243 R244 G245 A543	Y238-D241 WeakPolarHBondContact O-CB 3.36Å; Y238-D241 PolarHBondContact O-N 3.08Å; M239-D241 VanDerWaalsContact C-N 3.28Å; D241-E243 PolarHBondContact O-N 3.25Å; D241-E243 PolarHBondContact OD1-N 2.73Å; D241-R244 PolarHBondContact OD1-N 3.34Å; D241-G245 WeakPolarHBondContact O-CA 3.42Å; D241-G245 PolarHBondContact O-N 3.49Å; D241-A543 VanDerWaalsContact O-CB 3.31Å; D241-A543 WeakPolarHBondContact O-CB 3.5Å
242	P	84.4	Confident	91	Very high	105 Å²	105	24.5 Å²	24.5	68%	0.682	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.5	-174.6	-25.7	34.7	0	0	0	113.9	R240 H545	R240-P242 WeakPolarHBondContact O-CD 3.24Å; P242-H545 PolarHBondContact O-CE1 3.09Å
243	E	82.3	Confident	90.7	Very high	133 Å²	133	24.8 Å²	24.8	62%	0.621	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-50.6	-174.4	-172	-174.6	160.2	0	0	110.8	D241	D241-E243 PolarHBondContact O-N 3.25Å; D241-E243 PolarHBondContact OD1-N 2.73Å
244	R	85.3	Confident	90.5	Very high	75 Å²	75	26.1 Å²	26.1	28%	0.283	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-15.4	-171.6	-57.4	176.7	60	-157.3	1.7	113.5	P172 E212 D241 V246 V247 W248	P172-R244 VanDerWaalsContact O-CZ 3.26Å; P172-R244 PolarHBondContact O-NH1 3.39Å; P172-R244 PolarHBondContact O-NH2 3.48Å; E212-R244 VanDerWaalsContact CD-NH2 3.34Å; E212-R244 IonicContact OE1-CZ 2.71Å; E212-R244 VanDerWaalsContact OE1-CZ 3.24Å; E212-R244 IonicContact OE1-NE 3.4Å; E212-R244 PolarHBondContact OE1-NE 3.38Å; E212-R244 VanDerWaalsContact OE1-NE 3.08Å; E212-R244 IonicContact OE1-NH2 2.83Å; E212-R244 PolarHBondContact OE1-NH2 2.93Å; E212-R244 IonicContact OE2-NH2 3.98Å; E212-R244 PolarHBondContact OE2-NH2 2.9Å; D241-R244 PolarHBondContact OD1-N 3.34Å; R244-V246 PolarHBondContact O-N 2.93Å; R244-V246 VanDerWaalsContact O-N 3.14Å; R244-V247 VanDerWaalsContact O-CB 3.26Å; R244-V247 WeakPolarHBondContact O-CB 3.47Å; R244-V247 WeakPolarHBondContact O-CG2 3.49Å; R244-V247 PolarHBondContact O-N 3.32Å; R244-W248 HydrophobicContact CB-CH2 4.47Å; R244-W248 HydrophobicContact CB-CZ3 3.69Å; R244-W248 VanDerWaalsContact O-CZ3 3.27Å; R244-W248 WeakPolarHBondContact O-CZ3 3.5Å
245	G	89.5	Confident	90.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.3	-32.5	-173.7	0	0	0	0	0	114.1	M239 D241 V247 W248 E249	M239-G245 WeakPolarHBondContact O-CA 3.29Å; D241-G245 WeakPolarHBondContact O-CA 3.42Å; D241-G245 PolarHBondContact O-N 3.49Å; G245-V247 PolarHBondContact O-N 3.5Å; G245-W248 PolarHBondContact O-N 3.36Å; G245-E249 PolarHBondContact O-N 3.48Å
246	V	91.1	Very high	90.5	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-55.9	-37.2	174.6	68	0	0	0	0	112.4	R244 W248 E249 E250 F544	R244-V246 PolarHBondContact O-N 2.93Å; R244-V246 VanDerWaalsContact O-N 3.14Å; V246-W248 VanDerWaalsContact C-N 3.31Å; V246-W248 PolarHBondContact O-N 3.24Å; V246-E249 PolarHBondContact O-N 3.27Å; V246-E250 HydrophobicContact CG2-CG 4.14Å; V246-E250 WeakPolarHBondContact CG2-OE1 3.37Å; V246-E250 VanDerWaalsContact O-CG 3.31Å; V246-E250 WeakPolarHBondContact O-CG 3.29Å; V246-E250 PolarHBondContact O-N 3.47Å; V246-F544 HydrophobicContact CG2-CD2 4.15Å
247	V	91.7	Very high	90.4	Very high	16 Å²	16	32 Å²	32	10%	0.097	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-40.4	-179.8	177.9	0	0	0	0	111.4	T211 E212 Q215 R244 G245 T251	T211-V247 HydrophobicContact CG2-CG1 3.95Å; E212-V247 HydrophobicContact CG-CG1 4.18Å; Q215-V247 HydrophobicContact CB-CG1 4.11Å; Q215-V247 HydrophobicContact CG-CG1 4.38Å; R244-V247 VanDerWaalsContact O-CB 3.26Å; R244-V247 WeakPolarHBondContact O-CB 3.47Å; R244-V247 WeakPolarHBondContact O-CG2 3.49Å; R244-V247 PolarHBondContact O-N 3.32Å; G245-V247 PolarHBondContact O-N 3.5Å; V247-T251 WeakPolarHBondContact O-CB 3.47Å; V247-T251 PolarHBondContact O-N 3.12Å; V247-T251 PolarHBondContact O-OG1 3.29Å
248	W	93.8	Very high	90.4	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-46.4	177.3	-81.4	-96.6	0	0	0	111.5	P172 T211 F233 I236 M239 R244 G245 V246 T251 I252	P172-W248 HydrophobicContact CB-CH2 4.19Å; P172-W248 HydrophobicContact CB-CZ2 3.83Å; T211-W248 HydrophobicContact CG2-CD2 4.05Å; T211-W248 HydrophobicContact CG2-CG 3.99Å; T211-W248 VanDerWaalsContact OG1-CE2 3.26Å; T211-W248 WeakPolarHBondContact OG1-CZ2 3.45Å; T211-W248 PolarHBondContact OG1-NE1 2.82Å; F233-W248 AromaticContact CD1-CD1 3.93Å; I236-W248 HydrophobicContact CD1-CG 4.33Å; M239-W248 HydrophobicContact CB-CB 4.16Å; M239-W248 HydrophobicContact CG-CB 3.99Å; R244-W248 HydrophobicContact CB-CH2 4.47Å; R244-W248 HydrophobicContact CB-CZ3 3.69Å; R244-W248 VanDerWaalsContact O-CZ3 3.27Å; R244-W248 WeakPolarHBondContact O-CZ3 3.5Å; G245-W248 PolarHBondContact O-N 3.36Å; V246-W248 VanDerWaalsContact C-N 3.31Å; V246-W248 PolarHBondContact O-N 3.24Å; W248-T251 PolarHBondContact O-N 3.15Å; W248-I252 WeakPolarHBondContact O-CB 3.46Å; W248-I252 WeakPolarHBondContact O-CD1 3.5Å; W248-I252 VanDerWaalsContact O-CG1 3.23Å; W248-I252 WeakPolarHBondContact O-CG1 3.38Å; W248-I252 PolarHBondContact O-N 3.42Å
249	E	93.1	Very high	90.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-48.6	179.6	-69.6	-167.8	-142.1	0	0	111.2	M239 G245 V246 T251 I252 V253 W277 S542 A543 F570	M239-E249 HydrophobicContact CE-CG 3.9Å; M239-E249 HydrophobicContact CG-CG 3.61Å; M239-E249 HydrophobicContact SD-CG 3.59Å; M239-E249 VanDerWaalsContact SD-CG 3.59Å; G245-E249 PolarHBondContact O-N 3.48Å; V246-E249 PolarHBondContact O-N 3.27Å; E249-T251 PolarHBondContact O-N 3.09Å; E249-I252 PolarHBondContact O-N 3.47Å; E249-V253 VanDerWaalsContact O-CG2 3.28Å; E249-V253 WeakPolarHBondContact O-CG2 3.41Å; E249-V253 PolarHBondContact O-N 3.32Å; E249-W277 HydrophobicContact CG-CH2 4.48Å; E249-S542 WeakPolarHBondContact OE1-CA 3.45Å; E249-S542 WeakPolarHBondContact OE1-CB 3.15Å; E249-S542 PolarHBondContact OE1-OG 3.44Å; E249-S542 PolarHBondContact OE2-OG 2.93Å; E249-A543 PolarHBondContact OE1-N 2.87Å; E249-F570 HydrophobicContact CG-CB 4.49Å; E249-F570 WeakPolarHBondContact OE2-CB 3.43Å; E249-F570 PolarHBondContact OE2-N 2.98Å
250	E	92	Very high	91	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-46.5	178	-68.4	-176.3	-174.2	0	0	111.8	Q215 Y219 V246 I252 V253 L254 M550 M565	Q215-E250 PolarHBondContact NE2-OE2 3.2Å; Y219-E250 VanDerWaalsContact OH-CD 3.3Å; Y219-E250 PolarHBondContact OH-OE2 2.99Å; V246-E250 HydrophobicContact CG2-CG 4.14Å; V246-E250 WeakPolarHBondContact CG2-OE1 3.37Å; V246-E250 VanDerWaalsContact O-CG 3.31Å; V246-E250 WeakPolarHBondContact O-CG 3.29Å; V246-E250 PolarHBondContact O-N 3.47Å; E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 2.71Å; E250-V253 PolarHBondContact O-N 3.31Å; E250-L254 WeakPolarHBondContact O-CB 3.49Å; E250-L254 WeakPolarHBondContact O-CG 3.44Å; E250-L254 PolarHBondContact O-N 2.77Å; E250-M550 WeakPolarHBondContact OE1-CB 3.36Å; E250-M550 VanDerWaalsContact OE1-CG 3.23Å; E250-M550 WeakPolarHBondContact OE1-CG 3.43Å; E250-M565 HydrophobicContact CB-CE 3.64Å; E250-M565 HydrophobicContact CB-SD 4.33Å; E250-M565 HydrophobicContact CG-CE 3.68Å; E250-M565 HydrophobicContact CG-SD 3.68Å
251	T	93.6	Very high	91.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-43.7	179.3	-61.8	0	0	0	0	111	T211 L214 Q215 L218 F233 V247 W248 E249 L255	T211-T251 HydrophobicContact CG2-CG2 4.34Å; L214-T251 HydrophobicContact CB-CG2 4.25Å; L214-T251 HydrophobicContact CD2-CG2 3.56Å; L214-T251 HydrophobicContact CG-CG2 3.71Å; Q215-T251 WeakPolarHBondContact CB-OG1 3.41Å; L218-T251 HydrophobicContact CD1-CG2 3.82Å; F233-T251 HydrophobicContact CE1-CG2 4.17Å; F233-T251 HydrophobicContact CZ-CG2 4.06Å; V247-T251 WeakPolarHBondContact O-CB 3.47Å; V247-T251 PolarHBondContact O-N 3.12Å; V247-T251 PolarHBondContact O-OG1 3.29Å; W248-T251 PolarHBondContact O-N 3.15Å; E249-T251 PolarHBondContact O-N 3.09Å; T251-L255 HydrophobicContact CG2-CD1 4.34Å; T251-L255 WeakPolarHBondContact O-CD1 3.49Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 3.09Å
252	I	94.9	Very high	91.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-48.3	178.2	-69.5	163.9	0	0	0	110.3	F233 I236 W248 E249 E250 L254 L255 F263 F274 W277 I278 L281 H282	F233-I252 HydrophobicContact CE1-CG1 4.2Å; F233-I252 HydrophobicContact CE2-CG1 4Å; F233-I252 HydrophobicContact CZ-CG1 3.71Å; I236-I252 HydrophobicContact CD1-CD1 3.95Å; W248-I252 WeakPolarHBondContact O-CB 3.46Å; W248-I252 WeakPolarHBondContact O-CD1 3.5Å; W248-I252 VanDerWaalsContact O-CG1 3.23Å; W248-I252 WeakPolarHBondContact O-CG1 3.38Å; W248-I252 PolarHBondContact O-N 3.42Å; E249-I252 PolarHBondContact O-N 3.47Å; E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 2.71Å; I252-L254 VanDerWaalsContact C-N 3.28Å; I252-L254 PolarHBondContact O-N 3.2Å; I252-L255 PolarHBondContact O-N 3.11Å; I252-F263 HydrophobicContact CD1-CE1 3.94Å; I252-F263 HydrophobicContact CG1-CE1 4.33Å; I252-F274 HydrophobicContact CD1-CZ 4.27Å; I252-W277 HydrophobicContact CB-CH2 4.06Å; I252-W277 HydrophobicContact CD1-CH2 4.3Å; I252-W277 HydrophobicContact CD1-CZ3 4.16Å; I252-W277 HydrophobicContact CG2-CH2 3.74Å; I252-W277 HydrophobicContact CG2-CZ2 4.4Å; I252-W277 HydrophobicContact CG2-CZ3 4.02Å; I252-I278 HydrophobicContact CG2-CD1 3.55Å; I252-L281 HydrophobicContact CG2-CD2 3.7Å; I252-H282 PolarHBondContact O-CE1 2.9Å; I252-H282 PolarHBondContact O-NE2 3.13Å
253	V	92.4	Very high	92.5	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-35.9	179.8	172.5	0	0	0	0	113	E249 E250 W277 L281 Y564 M565 R568	E249-V253 VanDerWaalsContact O-CG2 3.28Å; E249-V253 WeakPolarHBondContact O-CG2 3.41Å; E249-V253 PolarHBondContact O-N 3.32Å; E250-V253 PolarHBondContact O-N 3.31Å; V253-W277 HydrophobicContact CG2-CZ2 3.87Å; V253-L281 HydrophobicContact CG1-CD1 4.4Å; V253-L281 HydrophobicContact CG2-CD1 4.2Å; V253-L281 HydrophobicContact CG2-CD2 4.04Å; V253-Y564 HydrophobicContact CG1-CE1 4.3Å; V253-M565 HydrophobicContact CG1-CG 4.45Å; V253-R568 HydrophobicContact CG1-CB 3.97Å; V253-R568 HydrophobicContact CG2-CB 4.32Å
254	L	91.5	Very high	93.1	Very high	29 Å²	29	20.3 Å²	20.3	15%	0.152	11%	0.108	C	C	.	.	H	α-helix	trans	-83.4	-11.2	-178	-67.6	174.4	0	0	0	113.9	L218 Y219 E250 I252 L554 I560 M565	L218-L254 HydrophobicContact CB-CB 4.27Å; L218-L254 HydrophobicContact CB-CD1 4.33Å; L218-L254 HydrophobicContact CD1-CB 4.03Å; Y219-L254 HydrophobicContact CD1-CD1 4.05Å; Y219-L254 HydrophobicContact CE1-CD1 3.65Å; E250-L254 WeakPolarHBondContact O-CB 3.49Å; E250-L254 WeakPolarHBondContact O-CG 3.44Å; E250-L254 PolarHBondContact O-N 2.77Å; I252-L254 VanDerWaalsContact C-N 3.28Å; I252-L254 PolarHBondContact O-N 3.2Å; L254-L554 HydrophobicContact CD2-CD2 4.43Å; L254-I560 HydrophobicContact CD2-CD1 3.48Å; L254-I560 VanDerWaalsContact CD2-CD1 3.48Å; L254-M565 HydrophobicContact CD1-CE 3.77Å; L254-M565 HydrophobicContact CD2-CE 3.89Å; L254-M565 HydrophobicContact CG-CE 3.63Å
255	L	93.5	Very high	93.4	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.031	10%	0.095	C	C	.	.	S	Bend	trans	-70.9	141.8	-179.7	-80.7	162.8	0	0	0	111.4	L218 V231 F233 T251 I252 Y261 H282	L218-L255 HydrophobicContact CD1-CD2 4.31Å; L218-L255 HydrophobicContact CD1-CG 4.22Å; L218-L255 HydrophobicContact CD2-CD2 4.17Å; V231-L255 HydrophobicContact CG1-CD1 4.36Å; V231-L255 HydrophobicContact CG2-CD1 4.33Å; V231-L255 HydrophobicContact CG2-CD2 4.16Å; F233-L255 HydrophobicContact CE2-CD1 3.97Å; F233-L255 HydrophobicContact CZ-CD1 3.77Å; T251-L255 HydrophobicContact CG2-CD1 4.34Å; T251-L255 WeakPolarHBondContact O-CD1 3.49Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 3.09Å; I252-L255 PolarHBondContact O-N 3.11Å; L255-Y261 HydrophobicContact CB-CE1 4.21Å; L255-Y261 HydrophobicContact CD1-CE1 3.77Å; L255-H282 PolarHBondContact O-CE1 3.04Å
256	P	91.5	Very high	93.3	Very high	49 Å²	49	17.2 Å²	17.2	32%	0.318	10%	0.099	S	C	.	.			trans	-66.4	146.8	177	-19.6	31.4	0	0	0	113.3	V225 S258 V259	V225-P256 HydrophobicContact CG1-CG 4.22Å; P256-S258 PolarHBondContact O-N 3.14Å; P256-V259 HydrophobicContact CB-CG2 4.45Å; P256-V259 WeakPolarHBondContact O-CB 3.28Å; P256-V259 WeakPolarHBondContact O-CG2 3.4Å; P256-V259 PolarHBondContact O-N 2.91Å
257	D	91.2	Very high	93	Very high	93 Å²	93	17.6 Å²	17.6	50%	0.497	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.1	179.2	-58.9	-24	0	0	0	114.4	V259 R260 H282	D257-V259 PolarHBondContact O-N 2.94Å; D257-R260 PolarHBondContact O-NH1 3.29Å; D257-H282 WeakPolarHBondContact OD1-CA 3.38Å; D257-H282 IonicContact OD1-CG 3.98Å; D257-H282 IonicContact OD1-ND1 3.67Å; D257-H282 PolarHBondContact OD1-ND1 3.04Å
258	S	91.1	Very high	92.9	Very high	82 Å²	82	17.2 Å²	17.2	57%	0.573	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.4	173	58.8	0	0	0	0	113.1	P256	P256-S258 PolarHBondContact O-N 3.14Å
259	V	95.1	Very high	92.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.121	C	C	.	.			trans	-80.8	145.2	-177.9	-180	0	0	0	0	110.6	V231 P256 D257 Y261 Q284	V231-V259 HydrophobicContact CB-CG1 4.06Å; V231-V259 HydrophobicContact CG2-CG1 3.53Å; P256-V259 HydrophobicContact CB-CG2 4.45Å; P256-V259 WeakPolarHBondContact O-CB 3.28Å; P256-V259 WeakPolarHBondContact O-CG2 3.4Å; P256-V259 PolarHBondContact O-N 2.91Å; D257-V259 PolarHBondContact O-N 2.94Å; V259-Y261 HydrophobicContact CB-CE1 4.27Å; V259-Y261 HydrophobicContact CG1-CD1 4.26Å; V259-Y261 HydrophobicContact CG1-CE1 3.78Å; V259-Q284 PolarHBondContact O-NE2 3.07Å
260	R	96.4	Very high	92.5	Very high	59 Å²	59	21.9 Å²	21.9	22%	0.223	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	151.6	170.1	-59.6	-60.6	177	-109.9	-0.6	111.2	N136 G229 W230 V231 D257	N136-R260 WeakPolarHBondContact O-CD 3.33Å; N136-R260 PolarHBondContact O-NE 3.44Å; N136-R260 VanDerWaalsContact O-NE 3.08Å; G229-R260 PolarHBondContact O-N 3.35Å; W230-R260 CarbonylContact C-O 3.6Å; W230-R260 WeakPolarHBondContact CA-O 3.26Å; W230-R260 HydrophobicContact CD2-CB 3.68Å; W230-R260 HydrophobicContact CE3-CB 3.54Å; W230-R260 HydrophobicContact CG-CB 4.44Å; W230-R260 HydrophobicContact CH2-CB 3.69Å; W230-R260 HydrophobicContact CH2-CG 4.29Å; W230-R260 HydrophobicContact CZ2-CB 3.81Å; W230-R260 HydrophobicContact CZ2-CG 4.14Å; W230-R260 HydrophobicContact CZ3-CB 3.55Å; V231-R260 PolarHBondContact N-O 3.13Å; D257-R260 PolarHBondContact O-NH1 3.29Å
261	Y	97.5	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.9	-169.2	-49.2	-76.2	0	0	0	112.5	S138 V139 V231 F233 L255 V259 F263 I278 H282 Q284	S138-Y261 CarbonylContact C-O 3.57Å; S138-Y261 VanDerWaalsContact CA-O 3.26Å; S138-Y261 WeakPolarHBondContact CA-O 3.46Å; S138-Y261 WeakPolarHBondContact OG-CD2 3.46Å; S138-Y261 PolarHBondContact OG-N 3.32Å; V139-Y261 PolarHBondContact N-O 3.21Å; V231-Y261 HydrophobicContact CB-CD1 4.32Å; V231-Y261 WeakPolarHBondContact O-CA 3.27Å; F233-Y261 HydrophobicContact CE2-CD1 4.11Å; L255-Y261 HydrophobicContact CB-CE1 4.21Å; L255-Y261 HydrophobicContact CD1-CE1 3.77Å; V259-Y261 HydrophobicContact CB-CE1 4.27Å; V259-Y261 HydrophobicContact CG1-CD1 4.26Å; V259-Y261 HydrophobicContact CG1-CE1 3.78Å; Y261-F263 HydrophobicContact CD1-CZ 4.15Å; Y261-F263 HydrophobicContact CD2-CE2 4.37Å; Y261-F263 HydrophobicContact CD2-CZ 4.36Å; Y261-F263 AromaticContact CG-CE2 3.92Å; Y261-F263 HydrophobicContact CG-CE2 3.92Å; Y261-F263 AromaticContact CG-CZ 3.75Å; Y261-F263 HydrophobicContact CG-CZ 3.75Å; Y261-I278 HydrophobicContact CD2-CG2 4.19Å; Y261-H282 HydrophobicContact CE2-CB 4.4Å; Y261-H282 AromaticContact CE2-CD2 3.48Å; Y261-H282 VanDerWaalsContact CE2-CD2 3.48Å; Y261-H282 WeakPolarHBondContact CE2-CD2 3.29Å; Y261-H282 AromaticContact CE2-CG 3.95Å; Y261-H282 AromaticContact CE2-NE2 3.98Å; Y261-H282 AromaticContact CZ-CD2 3.66Å; Y261-H282 AromaticContact CZ-NE2 3.65Å; Y261-H282 PolarHBondContact OH-CD2 2.83Å; Y261-H282 PolarHBondContact OH-CE1 2.82Å; Y261-H282 PolarHBondContact OH-ND1 3.44Å; Y261-H282 PolarHBondContact OH-NE2 3.36Å; Y261-H282 VanDerWaalsContact OH-NE2 3.14Å; Y261-Q284 VanDerWaalsContact CE2-NE2 3.35Å
262	V	97.8	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.4	162.6	178.3	0	0	0	0	107.9	I133 V139 V152 A156 W230 V231 I232 F233 L264	I133-V262 HydrophobicContact CD1-CG2 4.17Å; I133-V262 HydrophobicContact CG1-CG2 4.29Å; V139-V262 HydrophobicContact CG1-CG1 4.37Å; V139-V262 HydrophobicContact CG1-CG2 4.15Å; V139-V262 CarbonylContact O-C 3.55Å; V139-V262 WeakPolarHBondContact O-CA 3.44Å; V152-V262 HydrophobicContact CG1-CG1 4.09Å; A156-V262 HydrophobicContact CB-CG2 3.79Å; W230-V262 HydrophobicContact CE3-CG2 3.93Å; W230-V262 HydrophobicContact CZ3-CG2 3.84Å; V231-V262 PolarHBondContact O-N 2.95Å; I232-V262 CarbonylContact C-O 3.56Å; I232-V262 WeakPolarHBondContact CA-O 3.47Å; I232-V262 HydrophobicContact CB-CB 4.5Å; I232-V262 HydrophobicContact CG1-CB 4.14Å; I232-V262 HydrophobicContact CG2-CB 4.23Å; I232-V262 HydrophobicContact CG2-CG1 4.34Å; F233-V262 PolarHBondContact N-O 3.39Å; V262-L264 HydrophobicContact CG1-CD2 3.7Å; V262-L264 HydrophobicContact CG1-CG 4.24Å
263	F	97.6	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.2	175.7	-56.8	-81.3	0	0	0	109.2	V139 L140 L141 F233 I236 I252 Y261 F274 I278	V139-F263 PolarHBondContact O-N 3.42Å; L140-F263 HydrophobicContact CB-CB 4.2Å; L140-F263 HydrophobicContact CB-CD2 4.46Å; L140-F263 HydrophobicContact CD1-CB 3.45Å; L140-F263 VanDerWaalsContact CD1-CB 3.45Å; L140-F263 HydrophobicContact CD1-CG 4.45Å; L140-F263 HydrophobicContact CG-CB 4.42Å; L141-F263 PolarHBondContact N-O 2.93Å; F233-F263 HydrophobicContact CB-CD1 3.67Å; F233-F263 HydrophobicContact CB-CE1 4.19Å; F233-F263 AromaticContact CD2-CD1 3.76Å; F233-F263 HydrophobicContact CD2-CD1 3.76Å; F233-F263 AromaticContact CD2-CE1 3.4Å; F233-F263 HydrophobicContact CD2-CE1 3.4Å; F233-F263 HydrophobicContact CD2-CZ 4.3Å; F233-F263 AromaticContact CE2-CE1 3.96Å; F233-F263 HydrophobicContact CE2-CE1 3.96Å; F233-F263 AromaticContact CG-CD1 3.98Å; F233-F263 HydrophobicContact CG-CD1 3.98Å; F233-F263 AromaticContact CG-CE1 3.97Å; F233-F263 HydrophobicContact CG-CE1 3.97Å; I236-F263 HydrophobicContact CB-CB 4.45Å; I236-F263 HydrophobicContact CB-CD1 4.36Å; I236-F263 HydrophobicContact CD1-CD1 4.12Å; I236-F263 HydrophobicContact CD1-CE1 4.47Å; I236-F263 HydrophobicContact CG1-CD1 3.88Å; I236-F263 HydrophobicContact CG2-CB 4.09Å; I252-F263 HydrophobicContact CD1-CE1 3.94Å; I252-F263 HydrophobicContact CG1-CE1 4.33Å; Y261-F263 HydrophobicContact CD1-CZ 4.15Å; Y261-F263 HydrophobicContact CD2-CE2 4.37Å; Y261-F263 HydrophobicContact CD2-CZ 4.36Å; Y261-F263 AromaticContact CG-CE2 3.92Å; Y261-F263 HydrophobicContact CG-CE2 3.92Å; Y261-F263 AromaticContact CG-CZ 3.75Å; Y261-F263 HydrophobicContact CG-CZ 3.75Å; F263-F274 AromaticContact CD1-CE1 3.98Å; F263-F274 HydrophobicContact CD1-CE1 3.98Å; F263-F274 AromaticContact CD1-CZ 3.99Å; F263-F274 HydrophobicContact CD1-CZ 3.99Å; F263-F274 AromaticContact CD2-CE1 3.92Å; F263-F274 HydrophobicContact CD2-CE1 3.92Å; F263-F274 HydrophobicContact CE1-CE1 4.11Å; F263-F274 AromaticContact CE1-CZ 3.92Å; F263-F274 HydrophobicContact CE1-CZ 3.92Å; F263-F274 HydrophobicContact CE2-CE1 4.02Å; F263-F274 AromaticContact CG-CE1 3.9Å; F263-F274 HydrophobicContact CG-CE1 3.9Å; F263-F274 HydrophobicContact CG-CZ 4.38Å; F263-F274 HydrophobicContact CZ-CE1 4.12Å; F263-F274 HydrophobicContact CZ-CZ 4.22Å; F263-I278 HydrophobicContact CE2-CD1 4.18Å; F263-I278 HydrophobicContact CE2-CG1 3.94Å; F263-I278 HydrophobicContact CE2-CG2 4.21Å; F263-I278 HydrophobicContact CZ-CD1 3.74Å; F263-I278 HydrophobicContact CZ-CG1 4.03Å
264	L	95.1	Very high	92.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.7	175.8	-54.4	-176.6	0	0	0	109.2	L141 K149 A153 I232 F233 E235 I236 V262	L141-L264 HydrophobicContact CB-CD2 4.13Å; L141-L264 HydrophobicContact CD2-CD2 4.07Å; K149-L264 HydrophobicContact CB-CD1 4.28Å; K149-L264 HydrophobicContact CB-CD2 4.31Å; K149-L264 HydrophobicContact CD-CB 4.41Å; A153-L264 HydrophobicContact CB-CD1 4.01Å; I232-L264 HydrophobicContact CG2-CD1 4.42Å; F233-L264 PolarHBondContact O-N 3.3Å; E235-L264 CarbonylContact C-O 3.59Å; E235-L264 VanDerWaalsContact CA-O 3.26Å; E235-L264 WeakPolarHBondContact CA-O 3.46Å; E235-L264 PolarHBondContact N-O 2.92Å; I236-L264 PolarHBondContact N-O 3.28Å; V262-L264 HydrophobicContact CG1-CD2 3.7Å; V262-L264 HydrophobicContact CG1-CG 4.24Å
265	S	91.8	Very high	92.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.5	-179.9	-154.9	0	0	0	0	113.7	L141 A143 K149 H237 I268	L141-S265 PolarHBondContact O-N 3.06Å; A143-S265 PolarHBondContact N-O 3.42Å; K149-S265 WeakPolarHBondContact CD-O 3.45Å; K149-S265 PolarHBondContact NZ-O 3.12Å; H237-S265 VanDerWaalsContact CB-OG 3.28Å; H237-S265 WeakPolarHBondContact CB-OG 3.41Å; H237-S265 PolarHBondContact N-OG 3.42Å; H237-S265 PolarHBondContact ND1-OG 3.19Å; S265-I268 WeakPolarHBondContact OG-CD1 3.21Å
266	A	86.4	Confident	92.6	Very high	9 Å²	9	29 Å²	29	7%	0.074	16%	0.155	C	C	.	.	S	Bend	trans	-62.9	-174	154.9	0	0	0	0	0	111	S142 A143 H237 I268	S142-A266 PolarHBondContact OG-O 3.16Å; A143-A266 WeakPolarHBondContact O-CA 3.49Å; H237-A266 PolarHBondContact ND1-N 3.41Å; A266-I268 PolarHBondContact O-N 2.9Å
267	T	84.4	Confident	92.8	Very high	17 Å²	17	26.8 Å²	26.8	10%	0.104	14%	0.14	C	C	.	.			trans	-61.6	123.8	176.9	46	0	0	0	0	111	S142	S142-T267 VanDerWaalsContact OG-CA 3.31Å; S142-T267 WeakPolarHBondContact OG-CA 3.3Å
268	I	89.9	Confident	92.9	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.041	12%	0.117	C	C	.	.			trans	-123	119	174.6	-60.3	168.6	0	0	0	107.7	S142 I236 H237 S265 A266 N270 A271 L540	S142-I268 PolarHBondContact OG-N 3.5Å; I236-I268 HydrophobicContact CG2-CD1 4.26Å; H237-I268 HydrophobicContact CB-CD1 4.3Å; H237-I268 HydrophobicContact CB-CG1 4.28Å; S265-I268 WeakPolarHBondContact OG-CD1 3.21Å; A266-I268 PolarHBondContact O-N 2.9Å; I268-N270 WeakPolarHBondContact CG2-OD1 3.22Å; I268-N270 PolarHBondContact O-N 3.13Å; I268-A271 HydrophobicContact CB-CB 4.19Å; I268-A271 HydrophobicContact CG2-CB 4.34Å; I268-A271 WeakPolarHBondContact O-CB 3.47Å; I268-A271 PolarHBondContact O-N 3.19Å; I268-L540 HydrophobicContact CG2-CB 3.7Å
269	P	88.4	Confident	93	Very high	74 Å²	74	18.4 Å²	18.4	48%	0.481	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-31.2	-172.8	32.1	-36.3	0	0	0	112.6	P537 P538 P539	P269-P537 WeakPolarHBondContact CG-O 3.39Å; P269-P538 WeakPolarHBondContact CD-O 3.46Å; P269-P539 HydrophobicContact CG-CB 4.17Å
270	N	91.3	Very high	92.8	Very high	25 Å²	25	22.4 Å²	22.4	13%	0.134	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	32.9	176.3	66.2	-34.9	0	0	0	112.2	I268 R272 Q273 F274 P539 L540	I268-N270 WeakPolarHBondContact CG2-OD1 3.22Å; I268-N270 PolarHBondContact O-N 3.13Å; N270-R272 PolarHBondContact O-N 3.03Å; N270-R272 VanDerWaalsContact O-N 3.13Å; N270-Q273 HydrophobicContact CB-CB 4.19Å; N270-Q273 PolarHBondContact ND2-OE1 2.98Å; N270-Q273 WeakPolarHBondContact O-CB 3.46Å; N270-Q273 PolarHBondContact O-N 3.06Å; N270-F274 PolarHBondContact O-N 2.94Å; N270-P539 HydrophobicContact CB-CB 4.46Å; N270-P539 WeakPolarHBondContact OD1-CA 3.37Å; N270-L540 PolarHBondContact ND2-O 2.69Å; N270-L540 PolarHBondContact OD1-N 3.19Å
271	A	92.4	Very high	92.6	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-51.9	-35.4	176.3	0	0	0	0	0	112.6	L140 I268 F274 A275 V288	L140-A271 HydrophobicContact CD2-CB 3.67Å; I268-A271 HydrophobicContact CB-CB 4.19Å; I268-A271 HydrophobicContact CG2-CB 4.34Å; I268-A271 WeakPolarHBondContact O-CB 3.47Å; I268-A271 PolarHBondContact O-N 3.19Å; A271-F274 WeakPolarHBondContact O-CB 3.43Å; A271-F274 PolarHBondContact O-N 2.88Å; A271-A275 PolarHBondContact O-N 3.11Å; A271-V288 HydrophobicContact CB-CG1 3.7Å
272	R	92.6	Very high	92.4	Very high	114 Å²	114	20.6 Å²	20.6	43%	0.43	10%	0.102	S	C	.	.	H	α-helix	trans	-56.8	-49.7	172.4	175	-179	157.2	156.9	7.5	112.8	I83 N270 F274 A275 E276	I83-R272 HydrophobicContact CD1-CG 3.63Å; I83-R272 VanDerWaalsContact CD1-NH2 3.32Å; N270-R272 PolarHBondContact O-N 3.03Å; N270-R272 VanDerWaalsContact O-N 3.13Å; R272-F274 VanDerWaalsContact C-N 3.26Å; R272-F274 PolarHBondContact O-N 3.04Å; R272-A275 PolarHBondContact O-N 3.13Å; R272-A275 VanDerWaalsContact O-N 3.14Å; R272-E276 HydrophobicContact CG-CG 4.5Å; R272-E276 WeakPolarHBondContact CG-OE1 3.39Å; R272-E276 IonicContact CZ-OE1 2.76Å; R272-E276 IonicContact NE-OE1 3.5Å; R272-E276 PolarHBondContact NE-OE1 3.28Å; R272-E276 IonicContact NH2-OE1 3.12Å; R272-E276 WeakPolarHBondContact O-CG 3.36Å; R272-E276 PolarHBondContact O-N 2.94Å
273	Q	92.6	Very high	92.1	Very high	43 Å²	43	25.2 Å²	25.2	20%	0.201	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-37.5	179.7	-174.8	-177.3	44.6	0	0	111.4	N270 E276 W277 F570 F573	N270-Q273 HydrophobicContact CB-CB 4.19Å; N270-Q273 PolarHBondContact ND2-OE1 2.98Å; N270-Q273 WeakPolarHBondContact O-CB 3.46Å; N270-Q273 PolarHBondContact O-N 3.06Å; Q273-E276 PolarHBondContact O-N 2.87Å; Q273-W277 PolarHBondContact O-N 3.3Å; Q273-F570 HydrophobicContact CG-CE2 4.25Å; Q273-F570 HydrophobicContact CG-CZ 4.36Å; Q273-F573 HydrophobicContact CG-CD1 4.39Å; Q273-F573 HydrophobicContact CG-CE1 4.08Å; Q273-F573 WeakPolarHBondContact O-CE1 3.42Å
274	F	94.6	Very high	91.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-45.2	174.3	-179.1	-91.7	0	0	0	111.9	L140 I236 M239 I252 F263 N270 A271 R272 E276 W277 I278 L540 F570	L140-F274 HydrophobicContact CD2-CB 4.47Å; L140-F274 HydrophobicContact CD2-CD1 3.83Å; I236-F274 HydrophobicContact CD1-CZ 4.33Å; I236-F274 HydrophobicContact CG1-CE2 4.26Å; I236-F274 HydrophobicContact CG1-CZ 3.81Å; M239-F274 HydrophobicContact CE-CD2 4.36Å; M239-F274 HydrophobicContact CE-CE2 4.24Å; M239-F274 HydrophobicContact SD-CE2 3.83Å; I252-F274 HydrophobicContact CD1-CZ 4.27Å; F263-F274 AromaticContact CD1-CE1 3.98Å; F263-F274 HydrophobicContact CD1-CE1 3.98Å; F263-F274 AromaticContact CD1-CZ 3.99Å; F263-F274 HydrophobicContact CD1-CZ 3.99Å; F263-F274 AromaticContact CD2-CE1 3.92Å; F263-F274 HydrophobicContact CD2-CE1 3.92Å; F263-F274 HydrophobicContact CE1-CE1 4.11Å; F263-F274 AromaticContact CE1-CZ 3.92Å; F263-F274 HydrophobicContact CE1-CZ 3.92Å; F263-F274 HydrophobicContact CE2-CE1 4.02Å; F263-F274 AromaticContact CG-CE1 3.9Å; F263-F274 HydrophobicContact CG-CE1 3.9Å; F263-F274 HydrophobicContact CG-CZ 4.38Å; F263-F274 HydrophobicContact CZ-CE1 4.12Å; F263-F274 HydrophobicContact CZ-CZ 4.22Å; N270-F274 PolarHBondContact O-N 2.94Å; A271-F274 WeakPolarHBondContact O-CB 3.43Å; A271-F274 PolarHBondContact O-N 2.88Å; R272-F274 VanDerWaalsContact C-N 3.26Å; R272-F274 PolarHBondContact O-N 3.04Å; F274-E276 VanDerWaalsContact C-N 3.32Å; F274-E276 PolarHBondContact O-N 2.73Å; F274-W277 AromaticContact CD2-CE3 3.83Å; F274-W277 HydrophobicContact CD2-CE3 3.83Å; F274-W277 HydrophobicContact CD2-CZ3 4.09Å; F274-W277 AromaticContact CE2-CE3 3.72Å; F274-W277 HydrophobicContact CE2-CE3 3.72Å; F274-W277 AromaticContact CE2-CZ3 3.52Å; F274-W277 HydrophobicContact CE2-CZ3 3.52Å; F274-W277 HydrophobicContact CZ-CE3 4.37Å; F274-W277 HydrophobicContact CZ-CZ3 4.13Å; F274-W277 WeakPolarHBondContact O-CB 3.29Å; F274-W277 PolarHBondContact O-N 2.95Å; F274-W277 VanDerWaalsContact O-N 3.16Å; F274-I278 HydrophobicContact CD1-CG1 4.03Å; F274-I278 HydrophobicContact CE1-CD1 4.07Å; F274-I278 HydrophobicContact CE1-CG1 3.66Å; F274-I278 HydrophobicContact CZ-CD1 3.95Å; F274-I278 HydrophobicContact CZ-CG1 4.07Å; F274-I278 WeakPolarHBondContact O-CG1 3.42Å; F274-I278 PolarHBondContact O-N 3.49Å; F274-L540 HydrophobicContact CB-CD2 4.02Å; F274-L540 HydrophobicContact CD2-CD2 3.29Å; F274-L540 HydrophobicContact CE2-CD2 3.93Å; F274-L540 HydrophobicContact CG-CD2 3.87Å; F274-F570 HydrophobicContact CB-CZ 4.48Å
275	A	94.4	Very high	91.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-35.3	176.8	0	0	0	0	0	113	A97 A271 R272 W277 I278 A279 C286 V288	A97-A275 HydrophobicContact CB-CB 4.1Å; A271-A275 PolarHBondContact O-N 3.11Å; R272-A275 PolarHBondContact O-N 3.13Å; R272-A275 VanDerWaalsContact O-N 3.14Å; A275-W277 VanDerWaalsContact C-N 3.31Å; A275-W277 PolarHBondContact O-N 3.48Å; A275-I278 PolarHBondContact O-N 2.89Å; A275-A279 WeakPolarHBondContact O-CB 3.31Å; A275-A279 PolarHBondContact O-N 3.46Å; A275-C286 HydrophobicContact CB-CB 4.12Å; A275-V288 HydrophobicContact CB-CG2 3.25Å
276	E	93.5	Very high	91.9	Very high	32 Å²	32	26.5 Å²	26.5	15%	0.15	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-42.2	171.4	-67.4	168.2	-171	0	0	111.3	I81 I83 A97 R272 Q273 F274 A279 H280 F573	I81-E276 HydrophobicContact CB-CB 4.33Å; I81-E276 HydrophobicContact CB-CG 4.28Å; I81-E276 HydrophobicContact CG1-CB 4.33Å; I81-E276 HydrophobicContact CG2-CB 4.2Å; I81-E276 HydrophobicContact CG2-CG 3.97Å; I83-E276 HydrophobicContact CD1-CG 3.65Å; I83-E276 WeakPolarHBondContact CD1-OE1 3.33Å; I83-E276 HydrophobicContact CG1-CG 4.49Å; A97-E276 HydrophobicContact CB-CG 4.33Å; R272-E276 HydrophobicContact CG-CG 4.5Å; R272-E276 WeakPolarHBondContact CG-OE1 3.39Å; R272-E276 IonicContact CZ-OE1 2.76Å; R272-E276 IonicContact NE-OE1 3.5Å; R272-E276 PolarHBondContact NE-OE1 3.28Å; R272-E276 IonicContact NH2-OE1 3.12Å; R272-E276 WeakPolarHBondContact O-CG 3.36Å; R272-E276 PolarHBondContact O-N 2.94Å; Q273-E276 PolarHBondContact O-N 2.87Å; F274-E276 VanDerWaalsContact C-N 3.32Å; F274-E276 PolarHBondContact O-N 2.73Å; E276-A279 PolarHBondContact O-N 3.2Å; E276-H280 WeakPolarHBondContact O-CB 3.4Å; E276-H280 PolarHBondContact O-N 3.26Å; E276-F573 HydrophobicContact CB-CE1 4.03Å; E276-F573 HydrophobicContact CB-CZ 3.67Å
277	W	93.9	Very high	92.3	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-48.9	175.2	172.4	57	0	0	0	112.2	M239 E249 I252 V253 Q273 F274 A275 A279 H280 L281 R568 F570 F573	M239-W277 HydrophobicContact SD-CZ3 4.3Å; E249-W277 HydrophobicContact CG-CH2 4.48Å; I252-W277 HydrophobicContact CB-CH2 4.06Å; I252-W277 HydrophobicContact CD1-CH2 4.3Å; I252-W277 HydrophobicContact CD1-CZ3 4.16Å; I252-W277 HydrophobicContact CG2-CH2 3.74Å; I252-W277 HydrophobicContact CG2-CZ2 4.4Å; I252-W277 HydrophobicContact CG2-CZ3 4.02Å; V253-W277 HydrophobicContact CG2-CZ2 3.87Å; Q273-W277 PolarHBondContact O-N 3.3Å; F274-W277 AromaticContact CD2-CE3 3.83Å; F274-W277 HydrophobicContact CD2-CE3 3.83Å; F274-W277 HydrophobicContact CD2-CZ3 4.09Å; F274-W277 AromaticContact CE2-CE3 3.72Å; F274-W277 HydrophobicContact CE2-CE3 3.72Å; F274-W277 AromaticContact CE2-CZ3 3.52Å; F274-W277 HydrophobicContact CE2-CZ3 3.52Å; F274-W277 HydrophobicContact CZ-CE3 4.37Å; F274-W277 HydrophobicContact CZ-CZ3 4.13Å; F274-W277 WeakPolarHBondContact O-CB 3.29Å; F274-W277 PolarHBondContact O-N 2.95Å; F274-W277 VanDerWaalsContact O-N 3.16Å; A275-W277 VanDerWaalsContact C-N 3.31Å; A275-W277 PolarHBondContact O-N 3.48Å; W277-A279 VanDerWaalsContact C-N 3.3Å; W277-A279 PolarHBondContact O-N 3.49Å; W277-H280 WeakPolarHBondContact O-CB 3.42Å; W277-H280 PolarHBondContact O-N 2.96Å; W277-L281 HydrophobicContact CZ2-CD2 3.99Å; W277-L281 WeakPolarHBondContact O-CB 3.32Å; W277-L281 PolarHBondContact O-N 3.45Å; W277-R568 PolarHBondContact NE1-O 3.1Å; W277-F570 HydrophobicContact CB-CD2 3.72Å; W277-F570 HydrophobicContact CB-CE2 3.93Å; W277-F570 HydrophobicContact CD2-CB 4Å; W277-F570 AromaticContact CD2-CD2 3.61Å; W277-F570 HydrophobicContact CD2-CD2 3.61Å; W277-F570 HydrophobicContact CD2-CG 4.17Å; W277-F570 HydrophobicContact CE3-CB 4.19Å; W277-F570 AromaticContact CE3-CD2 3.8Å; W277-F570 HydrophobicContact CE3-CD2 3.8Å; W277-F570 HydrophobicContact CE3-CE2 4.5Å; W277-F570 HydrophobicContact CE3-CG 4.19Å; W277-F570 AromaticContact CG-CD2 3.59Å; W277-F570 HydrophobicContact CG-CD2 3.59Å; W277-F570 HydrophobicContact CG-CE2 4.31Å; W277-F570 HydrophobicContact CH2-CB 4.21Å; W277-F570 HydrophobicContact CZ2-CB 4Å; W277-F570 HydrophobicContact CZ3-CB 4.3Å; W277-F573 HydrophobicContact CB-CD1 3.69Å; W277-F573 HydrophobicContact CB-CD2 4.25Å; W277-F573 HydrophobicContact CB-CE1 3.92Å; W277-F573 HydrophobicContact CB-CE2 4.44Å; W277-F573 HydrophobicContact CB-CG 3.88Å; W277-F573 HydrophobicContact CB-CZ 4.31Å; W277-F573 AromaticContact CD1-CG 3.78Å; W277-F573 HydrophobicContact CG-CB 4.31Å; W277-F573 HydrophobicContact CG-CD1 4.36Å; W277-F573 HydrophobicContact CG-CG 4.15Å
278	I	94.6	Very high	92.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-43	177.3	-62.1	-57.4	0	0	0	111.3	I252 Y261 F263 F274 A275 H280 L281 H282 C286	I252-I278 HydrophobicContact CG2-CD1 3.55Å; Y261-I278 HydrophobicContact CD2-CG2 4.19Å; F263-I278 HydrophobicContact CE2-CD1 4.18Å; F263-I278 HydrophobicContact CE2-CG1 3.94Å; F263-I278 HydrophobicContact CE2-CG2 4.21Å; F263-I278 HydrophobicContact CZ-CD1 3.74Å; F263-I278 HydrophobicContact CZ-CG1 4.03Å; F274-I278 HydrophobicContact CD1-CG1 4.03Å; F274-I278 HydrophobicContact CE1-CD1 4.07Å; F274-I278 HydrophobicContact CE1-CG1 3.66Å; F274-I278 HydrophobicContact CZ-CD1 3.95Å; F274-I278 HydrophobicContact CZ-CG1 4.07Å; F274-I278 WeakPolarHBondContact O-CG1 3.42Å; F274-I278 PolarHBondContact O-N 3.49Å; A275-I278 PolarHBondContact O-N 2.89Å; I278-H280 VanDerWaalsContact C-N 3.33Å; I278-H280 PolarHBondContact O-N 3.2Å; I278-L281 PolarHBondContact O-N 3.02Å; I278-H282 PolarHBondContact O-N 3.37Å; I278-C286 HydrophobicContact CB-CB 4.25Å; I278-C286 HydrophobicContact CG2-CB 4.1Å
279	A	93	Very high	93	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-38.7	178.6	0	0	0	0	0	112.1	I81 A97 A275 E276 W277 H283 Q284 C286	I81-A279 HydrophobicContact CD1-CB 4.32Å; I81-A279 HydrophobicContact CG2-CB 4.48Å; A97-A279 HydrophobicContact CB-CB 4.01Å; A275-A279 WeakPolarHBondContact O-CB 3.31Å; A275-A279 PolarHBondContact O-N 3.46Å; E276-A279 PolarHBondContact O-N 3.2Å; W277-A279 VanDerWaalsContact C-N 3.3Å; W277-A279 PolarHBondContact O-N 3.49Å; A279-H283 VanDerWaalsContact O-CA 3.29Å; A279-H283 WeakPolarHBondContact O-CA 3.31Å; A279-H283 PolarHBondContact O-N 3.25Å; A279-H283 VanDerWaalsContact O-N 3.16Å; A279-Q284 WeakPolarHBondContact CA-O 3.34Å; A279-Q284 WeakPolarHBondContact CB-O 3.48Å; A279-C286 HydrophobicContact CB-CB 4.46Å
280	H	91.2	Very high	93.1	Very high	84 Å²	84	22.6 Å²	22.6	39%	0.389	11%	0.107	S	C	.	.	H	α-helix	trans	-66.1	-45	173.8	177.2	51.7	0	0	0	112.3	P79 I81 E276 W277 I278 F573	P79-H280 HydrophobicContact CB-CB 4.32Å; I81-H280 HydrophobicContact CD1-CB 4.03Å; I81-H280 HydrophobicContact CG1-CB 4.39Å; E276-H280 WeakPolarHBondContact O-CB 3.4Å; E276-H280 PolarHBondContact O-N 3.26Å; W277-H280 WeakPolarHBondContact O-CB 3.42Å; W277-H280 PolarHBondContact O-N 2.96Å; I278-H280 VanDerWaalsContact C-N 3.33Å; I278-H280 PolarHBondContact O-N 3.2Å; H280-F573 HydrophobicContact CB-CD2 4.46Å; H280-F573 HydrophobicContact CB-CE2 3.94Å; H280-F573 AromaticContact CD2-CD2 3.9Å
281	L	91.9	Very high	93	Very high	15 Å²	15	21.7 Å²	21.7	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-66.3	-51.3	-173.3	177.3	63.1	0	0	0	112.4	I252 V253 W277 I278 R568	I252-L281 HydrophobicContact CG2-CD2 3.7Å; V253-L281 HydrophobicContact CG1-CD1 4.4Å; V253-L281 HydrophobicContact CG2-CD1 4.2Å; V253-L281 HydrophobicContact CG2-CD2 4.04Å; W277-L281 HydrophobicContact CZ2-CD2 3.99Å; W277-L281 WeakPolarHBondContact O-CB 3.32Å; W277-L281 PolarHBondContact O-N 3.45Å; I278-L281 PolarHBondContact O-N 3.02Å; L281-R568 HydrophobicContact CD1-CB 3.73Å; L281-R568 HydrophobicContact CD1-CG 3.79Å
282	H	92.8	Very high	92.5	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	10	-173.6	-63.3	-63.4	0	0	0	114	I252 L255 D257 Y261 I278 Q284	I252-H282 PolarHBondContact O-CE1 2.9Å; I252-H282 PolarHBondContact O-NE2 3.13Å; L255-H282 PolarHBondContact O-CE1 3.04Å; D257-H282 WeakPolarHBondContact OD1-CA 3.38Å; D257-H282 IonicContact OD1-CG 3.98Å; D257-H282 IonicContact OD1-ND1 3.67Å; D257-H282 PolarHBondContact OD1-ND1 3.04Å; Y261-H282 HydrophobicContact CE2-CB 4.4Å; Y261-H282 AromaticContact CE2-CD2 3.48Å; Y261-H282 VanDerWaalsContact CE2-CD2 3.48Å; Y261-H282 WeakPolarHBondContact CE2-CD2 3.29Å; Y261-H282 AromaticContact CE2-CG 3.95Å; Y261-H282 AromaticContact CE2-NE2 3.98Å; Y261-H282 AromaticContact CZ-CD2 3.66Å; Y261-H282 AromaticContact CZ-NE2 3.65Å; Y261-H282 PolarHBondContact OH-CD2 2.83Å; Y261-H282 PolarHBondContact OH-CE1 2.82Å; Y261-H282 PolarHBondContact OH-ND1 3.44Å; Y261-H282 PolarHBondContact OH-NE2 3.36Å; Y261-H282 VanDerWaalsContact OH-NE2 3.14Å; I278-H282 PolarHBondContact O-N 3.37Å; H282-Q284 VanDerWaalsContact C-N 3.26Å; H282-Q284 HydrophobicContact CB-CG 3.9Å; H282-Q284 PolarHBondContact O-N 3.45Å; H282-Q284 VanDerWaalsContact O-N 3.14Å
283	H	91.5	Very high	91.9	Very high	97 Å²	97	25.4 Å²	25.4	45%	0.449	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	44.4	179.4	-159.4	82.4	0	0	0	113.6	D101 A279	D101-H283 IonicContact OD2-CE1 2.97Å; D101-H283 PolarHBondContact OD2-CE1 2.9Å; A279-H283 VanDerWaalsContact O-CA 3.29Å; A279-H283 WeakPolarHBondContact O-CA 3.31Å; A279-H283 PolarHBondContact O-N 3.25Å; A279-H283 VanDerWaalsContact O-N 3.16Å
284	Q	92.7	Very high	91.5	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.033	13%	0.132	C	C	.	.	S	Bend	trans	-140.1	152.4	-178.2	62.2	174.5	-69.6	0	0	112.3	S138 V259 Y261 A279 H282 C286	S138-Q284 PolarHBondContact OG-OE1 3.16Å; V259-Q284 PolarHBondContact O-NE2 3.07Å; Y261-Q284 VanDerWaalsContact CE2-NE2 3.35Å; A279-Q284 WeakPolarHBondContact CA-O 3.34Å; A279-Q284 WeakPolarHBondContact CB-O 3.48Å; H282-Q284 VanDerWaalsContact C-N 3.26Å; H282-Q284 HydrophobicContact CB-CG 3.9Å; H282-Q284 PolarHBondContact O-N 3.45Å; H282-Q284 VanDerWaalsContact O-N 3.14Å; Q284-C286 PolarHBondContact O-N 2.83Å
285	P	92.7	Very high	90.9	Very high	21 Å²	21	27.8 Å²	27.8	14%	0.136	15%	0.149	C	C	.	.			trans	-61.9	136.3	175.1	-22.8	33.9	0	0	0	112.7	V96 A97 V98 Q137	V96-P285 HydrophobicContact CG2-CB 4.27Å; A97-P285 WeakPolarHBondContact O-CA 3.29Å; V98-P285 HydrophobicContact CG2-CB 4.47Å; Q137-P285 HydrophobicContact CG-CB 4.43Å
286	C	94.8	Very high	90.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.2	174.8	-170.6	0	0	0	0	110.5	A97 S138 A275 I278 A279 Q284	A97-C286 PolarHBondContact N-O 2.95Å; A97-C286 PolarHBondContact O-N 3.06Å; S138-C286 WeakPolarHBondContact O-CA 3.19Å; A275-C286 HydrophobicContact CB-CB 4.12Å; I278-C286 HydrophobicContact CB-CB 4.25Å; I278-C286 HydrophobicContact CG2-CB 4.1Å; A279-C286 HydrophobicContact CB-CB 4.46Å; Q284-C286 PolarHBondContact O-N 2.83Å
287	H	95.4	Very high	90.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	144.2	-177.7	-67.5	-106.5	0	0	0	110.9	H94 E95 V96 C132 Q137 S138 V139 L140	H94-H287 AromaticContact CD2-ND1 3.98Å; H94-H287 AromaticContact CE1-ND1 3.81Å; H94-H287 AromaticContact NE2-CG 3.73Å; H94-H287 AromaticContact NE2-ND1 2.94Å; H94-H287 PolarHBondContact NE2-ND1 3.29Å; E95-H287 CarbonylContact O-C 3.5Å; E95-H287 WeakPolarHBondContact O-CA 3.4Å; V96-H287 VanDerWaalsContact CG2-CE1 3.48Å; V96-H287 WeakPolarHBondContact CG2-CE1 3.14Å; V96-H287 WeakPolarHBondContact CG2-NE2 3.37Å; C132-H287 HydrophobicContact CB-CB 4.43Å; C132-H287 VanDerWaalsContact SG-CG 3.58Å; Q137-H287 PolarHBondContact OE1-CE1 3.11Å; Q137-H287 PolarHBondContact OE1-NE2 3.32Å; S138-H287 PolarHBondContact O-CD2 2.96Å; S138-H287 PolarHBondContact O-N 2.99Å; V139-H287 CarbonylContact C-O 3.54Å; V139-H287 WeakPolarHBondContact CA-O 3.45Å; V139-H287 HydrophobicContact CB-CB 4.26Å; V139-H287 HydrophobicContact CG2-CB 4.11Å; L140-H287 PolarHBondContact N-O 3.35Å
288	V	94.8	Very high	90.3	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.036	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.3	171.4	-177.7	0	0	0	0	108.1	H94 E95 L140 A271 A275	H94-V288 WeakPolarHBondContact CA-O 3.48Å; E95-V288 PolarHBondContact N-O 3.49Å; E95-V288 PolarHBondContact O-N 3.12Å; L140-V288 HydrophobicContact CD2-CG2 4.4Å; L140-V288 WeakPolarHBondContact O-CA 3.43Å; A271-V288 HydrophobicContact CB-CG1 3.7Å; A275-V288 HydrophobicContact CB-CG2 3.25Å
289	V	94	Very high	90.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.1	172.1	-175.7	0	0	0	0	107.7	T93 F125 Q128 V139 L140 L141 S142	T93-V289 WeakPolarHBondContact O-CA 3.42Å; F125-V289 HydrophobicContact CB-CG1 3.77Å; Q128-V289 HydrophobicContact CB-CG1 4.25Å; Q128-V289 HydrophobicContact CB-CG2 4.26Å; V139-V289 HydrophobicContact CG2-CG2 4.05Å; L140-V289 PolarHBondContact O-N 3.11Å; L141-V289 WeakPolarHBondContact CA-O 3.42Å; L141-V289 HydrophobicContact CD1-CB 4.18Å; L141-V289 HydrophobicContact CD1-CG1 4.15Å; S142-V289 PolarHBondContact N-O 3.19Å
290	S	90.8	Very high	90.3	Very high	20 Å²	20	34.4 Å²	34.4	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.4	179	-52.8	0	0	0	0	111.3	C92 T93 S142	C92-S290 CarbonylContact C-O 3.56Å; C92-S290 VanDerWaalsContact CA-O 3.27Å; C92-S290 WeakPolarHBondContact CA-O 3.48Å; C92-S290 VanDerWaalsContact CB-O 3.26Å; C92-S290 WeakPolarHBondContact CB-O 3.37Å; T93-S290 PolarHBondContact N-O 3.07Å; T93-S290 PolarHBondContact O-N 2.77Å; T93-S290 WeakPolarHBondContact OG1-CB 3.42Å; S142-S290 CarbonylContact O-C 3.55Å; S142-S290 VanDerWaalsContact O-CA 3.29Å; S142-S290 WeakPolarHBondContact O-CA 3.22Å
291	S	89.3	Confident	90.4	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	111.6	178.2	179.2	0	0	0	0	111.1	S142 H144	S142-S291 PolarHBondContact O-N 3.31Å; H144-S291 PolarHBondContact ND1-O 3.35Å
292	D	81.8	Confident	90.4	Very high	126 Å²	126	31.8 Å²	31.8	67%	0.674	17%	0.167	S	C	*	.			trans	-85.8	-13.7	176.1	-62.3	-37.2	0	0	0	112.6	H144 R294	H144-D292 PolarHBondContact CE1-O 2.98Å; H144-D292 PolarHBondContact ND1-O 3.06Å; D292-R294 PolarHBondContact O-N 2.95Å
293	C	80.5	Confident	90.4	Very high	70 Å²	70	32.1 Å²	32.1	47%	0.473	17%	0.168	S	C	.	.			trans	-75.4	120	178	-61.7	0	0	0	0	111.1
294	R	84	Confident	90.3	Very high	40 Å²	40	27.5 Å²	27.5	15%	0.151	15%	0.146	C	C	.	.			trans	-86.5	135.3	171.3	-165.5	175.1	178.1	-110.4	-3.2	110.4	S146 D292 V296 G503 A505 G506	S146-R294 PolarHBondContact OG-NH2 2.75Å; D292-R294 PolarHBondContact O-N 2.95Å; R294-V296 WeakPolarHBondContact CD-O 3.48Å; R294-V296 WeakPolarHBondContact CG-O 3.44Å; R294-V296 VanDerWaalsContact CZ-O 3.28Å; R294-V296 PolarHBondContact NE-O 3.23Å; R294-V296 PolarHBondContact NH1-O 3.4Å; R294-V296 PolarHBondContact O-N 2.91Å; R294-G503 PolarHBondContact NH2-O 2.73Å; R294-A505 PolarHBondContact NH1-O 3Å; R294-A505 PolarHBondContact NH2-O 3.43Å; R294-G506 PolarHBondContact NH2-O 3.13Å
295	P	81.2	Confident	89.9	Confident	54 Å²	54	27.8 Å²	27.8	35%	0.351	15%	0.148	S	C	.	.	S	Bend	trans	-61.3	-29.8	176	-25.6	34.1	0	0	0	114.5	R508	P295-R508 HydrophobicContact CB-CG 4.42Å
296	V	87.2	Confident	89.2	Confident	8 Å²	8	28.2 Å²	28.2	5%	0.048	16%	0.157	C	C	.	.	S	Bend	trans	-121.2	119.2	175.3	179.8	0	0	0	0	107.3	R294 R508	R294-V296 WeakPolarHBondContact CD-O 3.48Å; R294-V296 WeakPolarHBondContact CG-O 3.44Å; R294-V296 VanDerWaalsContact CZ-O 3.28Å; R294-V296 PolarHBondContact NE-O 3.23Å; R294-V296 PolarHBondContact NH1-O 3.4Å; R294-V296 PolarHBondContact O-N 2.91Å; V296-R508 HydrophobicContact CG2-CB 4.45Å
297	P	89.7	Confident	88.3	Confident	39 Å²	39	28.9 Å²	28.9	25%	0.253	16%	0.161	S	C	.	.			trans	-65.9	156.8	177.8	23.1	-32.1	0	0	0	112.7	E316 D512 S513 G514	P297-E316 HydrophobicContact CB-CG 3.7Å; P297-E316 HydrophobicContact CG-CG 4.43Å; P297-D512 VanDerWaalsContact CD-O 3.32Å; P297-D512 WeakPolarHBondContact CD-O 3.37Å; P297-D512 WeakPolarHBondContact CG-O 3.16Å; P297-S513 CarbonylContact O-C 3.54Å; P297-S513 WeakPolarHBondContact O-CA 3.29Å; P297-G514 PolarHBondContact O-N 3.49Å
298	L	91.3	Very high	87.2	Confident	26 Å²	26	36.8 Å²	36.8	14%	0.136	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.7	176.2	-67	179.3	0	0	0	111.3	H300 E316 A505 G514 V516	L298-H300 WeakPolarHBondContact CB-NE2 3.34Å; L298-E316 PolarHBondContact O-N 3.1Å; L298-A505 HydrophobicContact CD2-CB 3.81Å; L298-A505 VanDerWaalsContact CD2-O 3.32Å; L298-A505 WeakPolarHBondContact CD2-O 3.28Å; L298-G514 WeakPolarHBondContact CA-O 3.16Å; L298-V516 HydrophobicContact CD1-CG2 4.41Å; L298-V516 HydrophobicContact CD2-CG2 4.09Å
299	R	93.6	Very high	86.6	Confident	86 Å²	86	37.6 Å²	37.6	33%	0.325	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.1	171.1	-68	-170.3	172.6	143.3	2.5	109.6	Y301 L312 L314 D315 G514 V516	R299-Y301 HydrophobicContact CB-CE2 3.85Å; R299-L312 HydrophobicContact CB-CD1 4.06Å; R299-L314 WeakPolarHBondContact CA-O 3.43Å; R299-D315 VanDerWaalsContact CG-OD1 3.3Å; R299-D315 WeakPolarHBondContact CG-OD1 3.34Å; R299-D315 IonicContact NE-OD1 3.74Å; R299-D315 PolarHBondContact NE-OD1 3.31Å; R299-G514 PolarHBondContact N-O 3.42Å; R299-V516 PolarHBondContact O-N 3.4Å
300	H	94.4	Very high	86.2	Confident	13 Å²	13	39.5 Å²	39.5	6%	0.06	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.8	-176.2	-49.6	-117.7	0	0	0	110.9	L298 V313 L314 Y498 V516 M533	L298-H300 WeakPolarHBondContact CB-NE2 3.34Å; H300-V313 HydrophobicContact CB-CG2 4.49Å; H300-V313 WeakPolarHBondContact O-CG2 3.32Å; H300-V313 PolarHBondContact O-N 2.92Å; H300-L314 HydrophobicContact CB-CB 3.9Å; H300-L314 VanDerWaalsContact CD2-CD2 3.49Å; H300-L314 WeakPolarHBondContact CD2-CD2 3.47Å; H300-L314 PolarHBondContact N-O 3.09Å; H300-L314 PolarHBondContact O-N 3.36Å; H300-Y498 AromaticContact CE1-CE1 3.76Å; H300-Y498 AromaticContact ND1-CE1 3.66Å; H300-Y498 AromaticContact ND1-CZ 3.64Å; H300-Y498 PolarHBondContact ND1-OH 3.16Å; H300-V516 CarbonylContact C-O 3.54Å; H300-V516 VanDerWaalsContact CA-O 3.31Å; H300-V516 WeakPolarHBondContact CA-O 3.31Å; H300-V516 HydrophobicContact CB-CB 4.45Å; H300-M533 HydrophobicContact CB-CE 3.15Å
301	Y	94.2	Very high	86.2	Confident	45 Å²	45	40 Å²	40	18%	0.176	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139	178.8	-63.4	-95.2	0	0	0	110	R299 L310 F311 L312 T515 V516 I517 L518	R299-Y301 HydrophobicContact CB-CE2 3.85Å; Y301-L310 HydrophobicContact CD1-CB 4.1Å; Y301-F311 CarbonylContact C-O 3.18Å; Y301-F311 WeakPolarHBondContact CA-O 3.38Å; Y301-L312 HydrophobicContact CD1-CB 3.98Å; Y301-L312 HydrophobicContact CD1-CD1 4.37Å; Y301-L312 HydrophobicContact CD2-CD1 4.49Å; Y301-L312 HydrophobicContact CE1-CB 3.74Å; Y301-L312 HydrophobicContact CE1-CD1 3.98Å; Y301-L312 HydrophobicContact CE1-CG 4.41Å; Y301-L312 HydrophobicContact CE2-CD1 4.11Å; Y301-T515 HydrophobicContact CD2-CG2 3.84Å; Y301-T515 HydrophobicContact CE2-CG2 3.85Å; Y301-V516 PolarHBondContact N-O 3.45Å; Y301-I517 CarbonylContact O-C 3.56Å; Y301-I517 WeakPolarHBondContact O-CA 3.14Å; Y301-L518 PolarHBondContact O-N 3.15Å
302	L	92.3	Very high	86.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141	165.4	-62.5	-170.7	0	0	0	110.6	F311 V313 F324 A327 L518 V520 M533	L302-F311 PolarHBondContact N-O 3.2Å; L302-F311 PolarHBondContact O-N 3.2Å; L302-V313 HydrophobicContact CB-CG1 4.34Å; L302-V313 HydrophobicContact CD1-CG1 3.79Å; L302-V313 HydrophobicContact CD1-CG2 4.3Å; L302-V313 HydrophobicContact CD2-CG2 4.11Å; L302-V313 HydrophobicContact CG-CB 4.3Å; L302-V313 HydrophobicContact CG-CG1 3.71Å; L302-V313 HydrophobicContact CG-CG2 3.67Å; L302-F324 HydrophobicContact CD1-CD2 3.39Å; L302-F324 HydrophobicContact CD1-CE2 3.64Å; L302-A327 HydrophobicContact CB-CB 4.48Å; L302-L518 WeakPolarHBondContact CA-O 2.91Å; L302-L518 HydrophobicContact CD2-CB 3.86Å; L302-L518 HydrophobicContact CD2-CD2 3.98Å; L302-L518 HydrophobicContact CD2-CG 4.18Å; L302-V520 HydrophobicContact CB-CG2 4.4Å; L302-V520 HydrophobicContact CD2-CG1 3.98Å; L302-M533 HydrophobicContact CD2-SD 4.31Å
303	Y	92	Very high	86.8	Confident	12 Å²	12	35.5 Å²	35.5	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	105.6	171.2	-170.7	-81.4	0	0	0	109.2	V305 S307 G309 L310 N354 Q357 I358 L518 M519 V520	Y303-V305 PolarHBondContact O-N 3.43Å; Y303-S307 PolarHBondContact OH-O 3.32Å; Y303-G309 WeakPolarHBondContact CD2-O 3.49Å; Y303-L310 HydrophobicContact CD2-CD2 3.83Å; Y303-L310 HydrophobicContact CD2-CG 4.28Å; Y303-N354 HydrophobicContact CD1-CB 4.43Å; Y303-N354 HydrophobicContact CE1-CB 3.62Å; Y303-N354 PolarHBondContact OH-OD1 2.9Å; Y303-Q357 PolarHBondContact OH-OE1 3.49Å; Y303-I358 HydrophobicContact CD1-CD1 3.86Å; Y303-I358 HydrophobicContact CD1-CG1 4.49Å; Y303-I358 HydrophobicContact CD2-CD1 3.79Å; Y303-I358 HydrophobicContact CD2-CG1 3.7Å; Y303-I358 HydrophobicContact CE1-CD1 4.22Å; Y303-I358 HydrophobicContact CE2-CD1 4.12Å; Y303-I358 HydrophobicContact CE2-CG1 3.7Å; Y303-I358 HydrophobicContact CG-CD1 3.63Å; Y303-I358 HydrophobicContact CG-CG1 4.1Å; Y303-L518 PolarHBondContact N-O 2.89Å; Y303-M519 HydrophobicContact CD1-CG 4.29Å; Y303-M519 WeakPolarHBondContact O-CA 3.4Å; Y303-V520 PolarHBondContact O-N 3.46Å
304	P	88.7	Confident	87.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.9	178.8	-6.6	21.5	0	0	0	110.7	G306 S307 F311 A327 S330 F331	P304-G306 PolarHBondContact O-N 2.72Å; P304-G306 VanDerWaalsContact O-N 3.12Å; P304-S307 VanDerWaalsContact CB-OG 3.27Å; P304-S307 WeakPolarHBondContact CB-OG 3.41Å; P304-S307 WeakPolarHBondContact CG-OG 3.42Å; P304-S307 PolarHBondContact O-N 2.89Å; P304-S307 VanDerWaalsContact O-N 3.08Å; P304-S307 PolarHBondContact O-OG 2.84Å; P304-F311 HydrophobicContact CG-CD2 4.05Å; P304-F311 HydrophobicContact CG-CE2 3.81Å; P304-A327 HydrophobicContact CG-CB 4.03Å; P304-A327 WeakPolarHBondContact CG-O 3.21Å; P304-S330 WeakPolarHBondContact CB-OG 3.31Å; P304-S330 WeakPolarHBondContact CG-OG 3.13Å; P304-F331 HydrophobicContact CB-CD2 4.35Å; P304-F331 HydrophobicContact CB-CE1 3.92Å; P304-F331 HydrophobicContact CB-CE2 3.64Å; P304-F331 HydrophobicContact CB-CZ 3.39Å
305	V	84.2	Confident	87.3	Confident	12 Å²	12	32.7 Å²	32.7	7%	0.073	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	113.7	-174.1	173.2	0	0	0	0	111.1	Y303 F331 Y347 R350 M519 V520	Y303-V305 PolarHBondContact O-N 3.43Å; V305-F331 WeakPolarHBondContact O-CE1 3.2Å; V305-Y347 HydrophobicContact CG1-CE2 4.03Å; V305-R350 HydrophobicContact CG1-CB 4.46Å; V305-M519 HydrophobicContact CG2-CB 4.17Å; V305-M519 HydrophobicContact CG2-CE 3.96Å; V305-V520 WeakPolarHBondContact CG2-O 3.44Å; V305-V520 PolarHBondContact N-O 3.18Å
306	G	79.3	Confident	87.2	Confident	31 Å²	31	36 Å²	36	32%	0.32	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	-10	178.1	0	0	0	0	0	114.5	P304 N354	P304-G306 PolarHBondContact O-N 2.72Å; P304-G306 VanDerWaalsContact O-N 3.12Å; G306-N354 PolarHBondContact N-ND2 3.04Å; G306-N354 VanDerWaalsContact N-ND2 3.12Å
307	S	76.3	Confident	86.7	Confident	13 Å²	13	37.9 Å²	37.9	9%	0.091	21%	0.208	C	C	.	.	S	Bend	trans	-102.8	158.1	169.7	74.5	0	0	0	0	111.2	Y303 P304 S330	Y303-S307 PolarHBondContact OH-O 3.32Å; P304-S307 VanDerWaalsContact CB-OG 3.27Å; P304-S307 WeakPolarHBondContact CB-OG 3.41Å; P304-S307 WeakPolarHBondContact CG-OG 3.42Å; P304-S307 PolarHBondContact O-N 2.89Å; P304-S307 VanDerWaalsContact O-N 3.08Å; P304-S307 PolarHBondContact O-OG 2.84Å; S307-S330 WeakPolarHBondContact CB-OG 3.31Å; S307-S330 PolarHBondContact OG-OG 2.76Å
308	E	72.1	Confident	86.5	Confident	167 Å²	167	43.4 Å²	43.4	78%	0.78	23%	0.228	S	C	*	.			trans	-96.5	109.4	172.7	-67.5	-168	163.2	0	0	110.4
309	G	81.5	Confident	86.2	Confident	23 Å²	23	44.4 Å²	44.4	24%	0.237	23%	0.23	C	C	.	.			trans	166.4	143.7	172.9	0	0	0	0	0	114.7	Y303	Y303-G309 WeakPolarHBondContact CD2-O 3.49Å
310	L	86.7	Confident	86	Confident	40 Å²	40	43.4 Å²	43.4	21%	0.209	23%	0.231	C	C	.	.			trans	-107.8	123.4	167.5	-74.1	168.9	0	0	0	108.9	Y301 Y303 L361 I517	Y301-L310 HydrophobicContact CD1-CB 4.1Å; Y303-L310 HydrophobicContact CD2-CD2 3.83Å; Y303-L310 HydrophobicContact CD2-CG 4.28Å; L310-L361 HydrophobicContact CD1-CD1 3.79Å; L310-L361 HydrophobicContact CD1-CD2 3.44Å; L310-L361 VanDerWaalsContact CD1-CD2 3.44Å; L310-L361 HydrophobicContact CD1-CG 4.28Å; L310-I517 HydrophobicContact CD2-CD1 4.18Å; L310-I517 HydrophobicContact CD2-CG1 4.35Å; L310-I517 HydrophobicContact CD2-CG2 3.69Å
311	F	90	Very high	85.6	Confident	29 Å²	29	48 Å²	48	13%	0.127	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.5	-177.5	-59.8	-87.7	0	0	0	109.6	Y301 L302 P304 V313 R326 A327	Y301-F311 CarbonylContact C-O 3.18Å; Y301-F311 WeakPolarHBondContact CA-O 3.38Å; L302-F311 PolarHBondContact N-O 3.2Å; L302-F311 PolarHBondContact O-N 3.2Å; P304-F311 HydrophobicContact CG-CD2 4.05Å; P304-F311 HydrophobicContact CG-CE2 3.81Å; F311-V313 PolarHBondContact O-N 3.5Å; F311-R326 HydrophobicContact CD1-CB 4.38Å; F311-R326 HydrophobicContact CD1-CG 4.17Å; F311-R326 HydrophobicContact CE1-CB 4.39Å; F311-R326 HydrophobicContact CE1-CG 3.77Å; F311-A327 HydrophobicContact CB-CB 3.86Å; F311-A327 HydrophobicContact CD1-CB 4.27Å; F311-A327 HydrophobicContact CD2-CB 3.51Å; F311-A327 HydrophobicContact CE2-CB 4.1Å; F311-A327 HydrophobicContact CG-CB 3.61Å
312	L	91.8	Very high	85.2	Confident	38 Å²	38	53.6 Å²	53.6	20%	0.199	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	114	175.3	179.4	67.1	0	0	0	109.1	R299 Y301 D315 L320 N323	R299-L312 HydrophobicContact CB-CD1 4.06Å; Y301-L312 HydrophobicContact CD1-CB 3.98Å; Y301-L312 HydrophobicContact CD1-CD1 4.37Å; Y301-L312 HydrophobicContact CD2-CD1 4.49Å; Y301-L312 HydrophobicContact CE1-CB 3.74Å; Y301-L312 HydrophobicContact CE1-CD1 3.98Å; Y301-L312 HydrophobicContact CE1-CG 4.41Å; Y301-L312 HydrophobicContact CE2-CD1 4.11Å; L312-D315 HydrophobicContact CD1-CB 4.38Å; L312-D315 HydrophobicContact CD2-CB 4.15Å; L312-D315 HydrophobicContact CG-CB 4.46Å; L312-L320 HydrophobicContact CD2-CD1 4.27Å; L312-L320 HydrophobicContact CG-CD1 4.21Å; L312-N323 WeakPolarHBondContact O-CB 3.41Å; L312-N323 PolarHBondContact O-ND2 3.1Å
313	V	91	Very high	85	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-17.7	-178.2	-68.1	0	0	0	0	113.1	H300 L302 F311 Y319 L320 N323 F324 M533	H300-V313 HydrophobicContact CB-CG2 4.49Å; H300-V313 WeakPolarHBondContact O-CG2 3.32Å; H300-V313 PolarHBondContact O-N 2.92Å; L302-V313 HydrophobicContact CB-CG1 4.34Å; L302-V313 HydrophobicContact CD1-CG1 3.79Å; L302-V313 HydrophobicContact CD1-CG2 4.3Å; L302-V313 HydrophobicContact CD2-CG2 4.11Å; L302-V313 HydrophobicContact CG-CB 4.3Å; L302-V313 HydrophobicContact CG-CG1 3.71Å; L302-V313 HydrophobicContact CG-CG2 3.67Å; F311-V313 PolarHBondContact O-N 3.5Å; V313-Y319 CarbonylContact O-C 3.52Å; V313-Y319 WeakPolarHBondContact O-CA 3.38Å; V313-L320 PolarHBondContact O-N 3.4Å; V313-N323 HydrophobicContact CG1-CB 4.39Å; V313-F324 HydrophobicContact CG1-CB 4.19Å; V313-M533 HydrophobicContact CG2-CE 3.47Å; V313-M533 VanDerWaalsContact CG2-CE 3.47Å; V313-M533 HydrophobicContact CG2-SD 3.9Å
314	L	88.9	Confident	84.7	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	122.7	177.1	-177	62.2	0	0	0	109.5	R299 H300 K318 M533 M534	R299-L314 WeakPolarHBondContact CA-O 3.43Å; H300-L314 HydrophobicContact CB-CB 3.9Å; H300-L314 VanDerWaalsContact CD2-CD2 3.49Å; H300-L314 WeakPolarHBondContact CD2-CD2 3.47Å; H300-L314 PolarHBondContact N-O 3.09Å; H300-L314 PolarHBondContact O-N 3.36Å; L314-K318 WeakPolarHBondContact CA-O 3.42Å; L314-K318 VanDerWaalsContact CD1-C 3.48Å; L314-K318 WeakPolarHBondContact CD1-O 3.47Å; L314-M533 HydrophobicContact CB-CE 3.83Å; L314-M533 HydrophobicContact CD2-CB 4.29Å; L314-M533 HydrophobicContact CD2-CE 4.16Å; L314-M534 HydrophobicContact CD1-CE 4.26Å; L314-M534 HydrophobicContact CD1-CG 4.01Å; L314-M534 HydrophobicContact CD1-SD 3.48Å; L314-M534 WeakPolarHBondContact CD1-SD 3.38Å; L314-M534 HydrophobicContact CD2-CG 3.99Å; L314-M534 HydrophobicContact CD2-SD 3.52Å; L314-M534 VanDerWaalsContact CD2-SD 3.52Å; L314-M534 HydrophobicContact CG-SD 4.15Å
315	D	87.1	Confident	84.6	Confident	46 Å²	46	59.6 Å²	59.6	25%	0.246	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.1	177.8	-168.5	30.2	0	0	0	108.1	R299 L312 G317 K318	R299-D315 VanDerWaalsContact CG-OD1 3.3Å; R299-D315 WeakPolarHBondContact CG-OD1 3.34Å; R299-D315 IonicContact NE-OD1 3.74Å; R299-D315 PolarHBondContact NE-OD1 3.31Å; L312-D315 HydrophobicContact CD1-CB 4.38Å; L312-D315 HydrophobicContact CD2-CB 4.15Å; L312-D315 HydrophobicContact CG-CB 4.46Å; D315-G317 PolarHBondContact O-N 3.27Å; D315-G317 VanDerWaalsContact O-N 3.11Å; D315-K318 PolarHBondContact N-O 3.32Å; D315-K318 WeakPolarHBondContact O-CB 3.43Å; D315-K318 PolarHBondContact O-N 2.99Å
316	E	78.6	Confident	84.7	Confident	125 Å²	125	66.6 Å²	66.6	58%	0.584	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.2	175.9	-61.8	-179.9	179.1	0	0	113.9	P297 L298	P297-E316 HydrophobicContact CB-CG 3.7Å; P297-E316 HydrophobicContact CG-CG 4.43Å; L298-E316 PolarHBondContact O-N 3.1Å
317	G	76.9	Confident	84.9	Confident	46 Å²	46	65.1 Å²	65.1	47%	0.474	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-1.8	-179.8	0	0	0	0	0	115.5	D315 M534	D315-G317 PolarHBondContact O-N 3.27Å; D315-G317 VanDerWaalsContact O-N 3.11Å; G317-M534 WeakPolarHBondContact O-CE 2.82Å
318	K	84.9	Confident	85.3	Confident	156 Å²	156	66.1 Å²	66.1	68%	0.678	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.8	176.2	-64.4	177.2	-176.9	169.3	0	111.5	L314 D315	L314-K318 WeakPolarHBondContact CA-O 3.42Å; L314-K318 VanDerWaalsContact CD1-C 3.48Å; L314-K318 WeakPolarHBondContact CD1-O 3.47Å; D315-K318 PolarHBondContact N-O 3.32Å; D315-K318 WeakPolarHBondContact O-CB 3.43Å; D315-K318 PolarHBondContact O-N 2.99Å
319	Y	86	Confident	85.8	Confident	47 Å²	47	65.1 Å²	65.1	18%	0.184	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126	176.4	-170.6	-102.3	0	0	0	111.2	V313 E321 F324 H530	V313-Y319 CarbonylContact O-C 3.52Å; V313-Y319 WeakPolarHBondContact O-CA 3.38Å; Y319-E321 HydrophobicContact CD1-CB 4.12Å; Y319-E321 HydrophobicContact CE1-CB 3.96Å; Y319-E321 HydrophobicContact CE1-CG 4.28Å; Y319-F324 WeakPolarHBondContact OH-CD2 3.08Å; Y319-F324 WeakPolarHBondContact OH-CG 3.37Å; Y319-H530 AromaticContact CD1-CD2 3.83Å; Y319-H530 AromaticContact CG-CD2 3.77Å
320	L	88.5	Confident	85.8	Confident	64 Å²	64	64.8 Å²	64.8	34%	0.335	31%	0.306	S	S	.	.			trans	-104.1	79.2	-178.1	-60	177.5	0	0	0	110.1	L312 V313 Q322 N323 F324	L312-L320 HydrophobicContact CD2-CD1 4.27Å; L312-L320 HydrophobicContact CG-CD1 4.21Å; V313-L320 PolarHBondContact O-N 3.4Å; L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 2.71Å; L320-N323 HydrophobicContact CB-CB 4.23Å; L320-N323 WeakPolarHBondContact O-CB 3.29Å; L320-N323 PolarHBondContact O-N 3.4Å; L320-F324 PolarHBondContact O-N 2.86Å
321	E	86	Confident	85.4	Confident	110 Å²	110	64.1 Å²	64.1	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-56.2	-36.7	-176.9	-168.7	173.3	-163.9	0	0	113.2	Y319 N323 F324 E325	Y319-E321 HydrophobicContact CD1-CB 4.12Å; Y319-E321 HydrophobicContact CE1-CB 3.96Å; Y319-E321 HydrophobicContact CE1-CG 4.28Å; E321-N323 VanDerWaalsContact C-N 3.26Å; E321-N323 PolarHBondContact O-N 3.32Å; E321-F324 WeakPolarHBondContact O-CA 3.41Å; E321-F324 VanDerWaalsContact O-CB 3.3Å; E321-F324 WeakPolarHBondContact O-CB 3.39Å; E321-F324 PolarHBondContact O-N 3.44Å; E321-E325 PolarHBondContact O-N 3.41Å
322	Q	86.9	Confident	84.4	Confident	162 Å²	162	68.6 Å²	68.6	76%	0.757	33%	0.327	S	S	*	.	H	α-helix	trans	-60	-36	176.5	-63.3	179.7	11.1	0	0	112.9	L320 R326	L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 2.71Å; Q322-R326 WeakPolarHBondContact O-CB 3.2Å; Q322-R326 PolarHBondContact O-N 2.86Å
323	N	87	Confident	83	Confident	46 Å²	46	71.2 Å²	71.2	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-76.5	-30.6	177.9	-71.6	-17.2	0	0	0	111.3	L312 V313 L320 E321 R326 A327	L312-N323 WeakPolarHBondContact O-CB 3.41Å; L312-N323 PolarHBondContact O-ND2 3.1Å; V313-N323 HydrophobicContact CG1-CB 4.39Å; L320-N323 HydrophobicContact CB-CB 4.23Å; L320-N323 WeakPolarHBondContact O-CB 3.29Å; L320-N323 PolarHBondContact O-N 3.4Å; E321-N323 VanDerWaalsContact C-N 3.26Å; E321-N323 PolarHBondContact O-N 3.32Å; N323-R326 PolarHBondContact O-N 3.01Å; N323-A327 WeakPolarHBondContact O-CB 3.14Å; N323-A327 PolarHBondContact O-N 2.84Å
324	F	86.1	Confident	81.2	Confident	8 Å²	8	75.6 Å²	75.6	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-51.7	170.4	-180	-88.9	0	0	0	110.8	L302 V313 Y319 L320 E321 R326 A327 M328 S526 A529	L302-F324 HydrophobicContact CD1-CD2 3.39Å; L302-F324 HydrophobicContact CD1-CE2 3.64Å; V313-F324 HydrophobicContact CG1-CB 4.19Å; Y319-F324 WeakPolarHBondContact OH-CD2 3.08Å; Y319-F324 WeakPolarHBondContact OH-CG 3.37Å; L320-F324 PolarHBondContact O-N 2.86Å; E321-F324 WeakPolarHBondContact O-CA 3.41Å; E321-F324 VanDerWaalsContact O-CB 3.3Å; E321-F324 WeakPolarHBondContact O-CB 3.39Å; E321-F324 PolarHBondContact O-N 3.44Å; F324-R326 VanDerWaalsContact C-N 3.27Å; F324-R326 PolarHBondContact O-N 3.04Å; F324-A327 WeakPolarHBondContact O-CA 3.31Å; F324-A327 WeakPolarHBondContact O-CB 3.26Å; F324-A327 PolarHBondContact O-N 3.03Å; F324-M328 HydrophobicContact CD1-CG 4.03Å; F324-M328 HydrophobicContact CE1-CG 3.43Å; F324-M328 VanDerWaalsContact CE1-CG 3.43Å; F324-M328 HydrophobicContact CE1-SD 4.42Å; F324-M328 HydrophobicContact CE2-CG 4.26Å; F324-M328 HydrophobicContact CE2-SD 4.42Å; F324-M328 HydrophobicContact CZ-CG 3.55Å; F324-M328 HydrophobicContact CZ-SD 3.94Å; F324-M328 PolarHBondContact O-N 3.29Å; F324-S526 VanDerWaalsContact CE1-CB 3.46Å; F324-S526 VanDerWaalsContact CZ-CA 3.5Å; F324-A529 HydrophobicContact CD2-CB 3.89Å; F324-A529 HydrophobicContact CE2-CB 3.32Å; F324-A529 HydrophobicContact CZ-CB 4.04Å
325	E	86.8	Confident	79	Confident	85 Å²	85	82.8 Å²	82.8	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-59.4	-40.2	177.1	-69.9	-175.1	-173.6	0	0	112	E321 A327 M328 R329	E321-E325 PolarHBondContact O-N 3.41Å; E325-A327 VanDerWaalsContact C-N 3.3Å; E325-A327 PolarHBondContact O-N 3.39Å; E325-M328 PolarHBondContact O-N 2.88Å; E325-R329 WeakPolarHBondContact O-CB 3.37Å; E325-R329 VanDerWaalsContact O-CG 3.25Å; E325-R329 WeakPolarHBondContact O-CG 3.44Å; E325-R329 PolarHBondContact O-N 2.92Å; E325-R329 IonicContact OE2-CZ 3.44Å; E325-R329 IonicContact OE2-NH2 2.68Å; E325-R329 PolarHBondContact OE2-NH2 3.34Å
326	R	86.2	Confident	77	Confident	159 Å²	159	85.2 Å²	85.2	60%	0.6	43%	0.426	S	S	*	.	H	α-helix	trans	-62.3	-38.9	176.2	-171.5	-178.1	173.1	-178.9	-2.5	111.9	F311 Q322 N323 F324 S330	F311-R326 HydrophobicContact CD1-CB 4.38Å; F311-R326 HydrophobicContact CD1-CG 4.17Å; F311-R326 HydrophobicContact CE1-CB 4.39Å; F311-R326 HydrophobicContact CE1-CG 3.77Å; Q322-R326 WeakPolarHBondContact O-CB 3.2Å; Q322-R326 PolarHBondContact O-N 2.86Å; N323-R326 PolarHBondContact O-N 3.01Å; F324-R326 VanDerWaalsContact C-N 3.27Å; F324-R326 PolarHBondContact O-N 3.04Å; R326-S330 PolarHBondContact O-N 3.45Å
327	A	84.2	Confident	75	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-64.3	-45	174	0	0	0	0	0	111.1	L302 P304 F311 N323 F324 E325 S330	L302-A327 HydrophobicContact CB-CB 4.48Å; P304-A327 HydrophobicContact CG-CB 4.03Å; P304-A327 WeakPolarHBondContact CG-O 3.21Å; F311-A327 HydrophobicContact CB-CB 3.86Å; F311-A327 HydrophobicContact CD1-CB 4.27Å; F311-A327 HydrophobicContact CD2-CB 3.51Å; F311-A327 HydrophobicContact CE2-CB 4.1Å; F311-A327 HydrophobicContact CG-CB 3.61Å; N323-A327 WeakPolarHBondContact O-CB 3.14Å; N323-A327 PolarHBondContact O-N 2.84Å; F324-A327 WeakPolarHBondContact O-CA 3.31Å; F324-A327 WeakPolarHBondContact O-CB 3.26Å; F324-A327 PolarHBondContact O-N 3.03Å; E325-A327 VanDerWaalsContact C-N 3.3Å; E325-A327 PolarHBondContact O-N 3.39Å; A327-S330 WeakPolarHBondContact O-CB 3.38Å; A327-S330 PolarHBondContact O-N 3.38Å; A327-S330 PolarHBondContact O-OG 3.35Å
328	M	84.4	Confident	73.3	Confident	34 Å²	34	89.7 Å²	89.7	17%	0.167	45%	0.451	C	S	.	.	H	α-helix	trans	-71.7	-31.2	179.9	-63.2	-53.2	-63.5	0	0	113.3	F324 E325 S330 F331 M524	F324-M328 HydrophobicContact CD1-CG 4.03Å; F324-M328 HydrophobicContact CE1-CG 3.43Å; F324-M328 VanDerWaalsContact CE1-CG 3.43Å; F324-M328 HydrophobicContact CE1-SD 4.42Å; F324-M328 HydrophobicContact CE2-CG 4.26Å; F324-M328 HydrophobicContact CE2-SD 4.42Å; F324-M328 HydrophobicContact CZ-CG 3.55Å; F324-M328 HydrophobicContact CZ-SD 3.94Å; F324-M328 PolarHBondContact O-N 3.29Å; E325-M328 PolarHBondContact O-N 2.88Å; M328-S330 PolarHBondContact O-N 3.27Å; M328-F331 HydrophobicContact CE-CD2 3.84Å; M328-F331 HydrophobicContact CE-CE2 3.75Å; M328-F331 WeakPolarHBondContact O-CD2 3.43Å; M328-F331 PolarHBondContact O-N 3Å; M328-F331 HydrophobicContact SD-CD2 4.2Å; M328-F331 HydrophobicContact SD-CE2 3.82Å; M328-M524 WeakPolarHBondContact CE-O 3.41Å
329	R	83.1	Confident	71.2	Confident	145 Å²	145	89.1 Å²	89.1	55%	0.547	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-21.6	172.8	-74.8	179.3	-143.2	164.6	5	112.7	E325 F331 L332 S333	E325-R329 WeakPolarHBondContact O-CB 3.37Å; E325-R329 VanDerWaalsContact O-CG 3.25Å; E325-R329 WeakPolarHBondContact O-CG 3.44Å; E325-R329 PolarHBondContact O-N 2.92Å; E325-R329 IonicContact OE2-CZ 3.44Å; E325-R329 IonicContact OE2-NH2 2.68Å; E325-R329 PolarHBondContact OE2-NH2 3.34Å; R329-F331 PolarHBondContact O-N 2.87Å; R329-L332 PolarHBondContact O-N 3.32Å; R329-L332 VanDerWaalsContact O-N 3.08Å; R329-S333 PolarHBondContact O-N 2.59Å
330	S	81.4	Confident	69.1	Low	16 Å²	16	98.5 Å²	98.5	11%	0.112	48%	0.483	C	S	.	.	H	α-helix	trans	-65.3	-26.9	177.2	79.6	0	0	0	0	112.4	P304 S307 R326 A327 M328 S333	P304-S330 WeakPolarHBondContact CB-OG 3.31Å; P304-S330 WeakPolarHBondContact CG-OG 3.13Å; S307-S330 WeakPolarHBondContact CB-OG 3.31Å; S307-S330 PolarHBondContact OG-OG 2.76Å; R326-S330 PolarHBondContact O-N 3.45Å; A327-S330 WeakPolarHBondContact O-CB 3.38Å; A327-S330 PolarHBondContact O-N 3.38Å; A327-S330 PolarHBondContact O-OG 3.35Å; M328-S330 PolarHBondContact O-N 3.27Å; S330-S333 WeakPolarHBondContact CA-OG 3.23Å; S330-S333 PolarHBondContact O-OG 3.08Å
331	F	77.7	Confident	66.7	Low	26 Å²	26	104.5 Å²	104.5	11%	0.114	51%	0.509	C	S	.	.	H	α-helix	trans	-67.6	-36.5	171.5	-65.3	-66.8	0	0	0	112.4	P304 V305 M328 R329 D334 V520 D521 E522	P304-F331 HydrophobicContact CB-CD2 4.35Å; P304-F331 HydrophobicContact CB-CE1 3.92Å; P304-F331 HydrophobicContact CB-CE2 3.64Å; P304-F331 HydrophobicContact CB-CZ 3.39Å; V305-F331 WeakPolarHBondContact O-CE1 3.2Å; M328-F331 HydrophobicContact CE-CD2 3.84Å; M328-F331 HydrophobicContact CE-CE2 3.75Å; M328-F331 WeakPolarHBondContact O-CD2 3.43Å; M328-F331 PolarHBondContact O-N 3Å; M328-F331 HydrophobicContact SD-CD2 4.2Å; M328-F331 HydrophobicContact SD-CE2 3.82Å; R329-F331 PolarHBondContact O-N 2.87Å; F331-D334 PolarHBondContact O-N 3.47Å; F331-V520 WeakPolarHBondContact CZ-O 3.4Å; F331-D521 VanDerWaalsContact CZ-C 3.48Å; F331-E522 HydrophobicContact CB-CG 3.8Å; F331-E522 HydrophobicContact CD1-CG 3.41Å; F331-E522 VanDerWaalsContact CD1-CG 3.41Å; F331-E522 HydrophobicContact CD2-CG 4.05Å; F331-E522 HydrophobicContact CE1-CG 3.89Å; F331-E522 HydrophobicContact CE2-CG 4.45Å; F331-E522 HydrophobicContact CG-CG 3.5Å; F331-E522 HydrophobicContact CZ-CG 4.38Å
332	L	69.8	Low	64.7	Low	124 Å²	124	102.8 Å²	102.8	65%	0.649	50%	0.5	S	S	*	.	H	α-helix	trans	-73.7	-31.4	-179.2	-65.5	171.1	0	0	0	112.8	R329 D334 E335	R329-L332 PolarHBondContact O-N 3.32Å; R329-L332 VanDerWaalsContact O-N 3.08Å; L332-D334 PolarHBondContact O-N 2.78Å; L332-E335 WeakPolarHBondContact O-CG 3.39Å; L332-E335 PolarHBondContact O-N 3.3Å
333	S	60.9	Low	62.7	Low	93 Å²	93	99.2 Å²	99.2	65%	0.65	49%	0.493	S	S	*	.	H	α-helix	trans	-66	-18.5	176.3	45.8	0	0	0	0	113.6	R329 S330 E335	R329-S333 PolarHBondContact O-N 2.59Å; S330-S333 WeakPolarHBondContact CA-OG 3.23Å; S330-S333 PolarHBondContact O-OG 3.08Å; S333-E335 VanDerWaalsContact C-N 3.28Å; S333-E335 PolarHBondContact O-N 3.26Å
334	D	53.4	Low	61	Low	91 Å²	91	104 Å²	104	49%	0.487	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	15.7	179.8	-96.9	4	0	0	0	113.9	F331 L332 S336	F331-D334 PolarHBondContact O-N 3.47Å; L332-D334 PolarHBondContact O-N 2.78Å; D334-S336 PolarHBondContact O-N 2.95Å
335	E	44.1	Very low	59.3	Low	155 Å²	155	108 Å²	108	72%	0.724	54%	0.539	S	S	*	.			trans	-65.8	34.2	171.2	-83.5	-103.4	137.7	0	0	114	L332 S333 S337	L332-E335 WeakPolarHBondContact O-CG 3.39Å; L332-E335 PolarHBondContact O-N 3.3Å; S333-E335 VanDerWaalsContact C-N 3.28Å; S333-E335 PolarHBondContact O-N 3.26Å; E335-S337 PolarHBondContact O-N 3.17Å
336	S	44.1	Very low	57.9	Low	98 Å²	98	107 Å²	107	69%	0.685	54%	0.537	S	S	*	.			trans	-72.7	80.4	158.3	56	0	0	0	0	110	D334	D334-S336 PolarHBondContact O-N 2.95Å
337	S	37.6	Very low	56.7	Low	101 Å²	101	103.4 Å²	103.4	71%	0.706	52%	0.524	S	S	*	.	S	Bend	trans	44.9	117.8	152.3	57.4	0	0	0	0	119.7	E335	E335-S337 PolarHBondContact O-N 3.17Å
338	N	40.4	Very low	55.6	Low	163 Å²	163	106.5 Å²	106.5	87%	0.872	54%	0.54	S	S	*	.			trans	78.3	57	152.1	-86.2	-3.7	0	0	0	120.2
339	K	41.4	Very low	54.7	Low	144 Å²	144	110.9 Å²	110.9	63%	0.626	56%	0.558	S	S	*	*			trans	-146.1	57.9	165.2	-102.1	144.1	155.2	-164.7	0	113.5	Q341 K342	K339-Q341 VanDerWaalsContact C-N 3.31Å; K339-Q341 PolarHBondContact O-N 3.17Å; K339-K342 HydrophobicContact CB-CD 3.9Å; K339-K342 HydrophobicContact CB-CG 3.96Å; K339-K342 HydrophobicContact CD-CD 4.36Å; K339-K342 VanDerWaalsContact CE-CE 3.41Å; K339-K342 HydrophobicContact CG-CD 3.99Å; K339-K342 HydrophobicContact CG-CG 3.82Å
340	R	40.8	Very low	53.8	Low	244 Å²	244	109.3 Å²	109.3	92%	0.921	55%	0.552	S	S	*	*	S	Bend	trans	-80.9	6	177.5	-97.2	-175.6	170.9	178.9	-1.7	115.9
341	Q	39.5	Very low	53.4	Low	190 Å²	190	108.8 Å²	108.8	89%	0.888	55%	0.549	S	S	*	.	S	Bend	trans	-146	78.7	169.7	-76.2	-176.3	-16.4	0	0	108.4	K339	K339-Q341 VanDerWaalsContact C-N 3.31Å; K339-Q341 PolarHBondContact O-N 3.17Å
342	K	43.1	Very low	53.5	Low	75 Å²	75	109.3 Å²	109.3	33%	0.326	55%	0.551	S	S	.	*			trans	-98.5	125.1	173.7	-89.8	176.3	167.2	148.9	0	109.9	K339	K339-K342 HydrophobicContact CB-CD 3.9Å; K339-K342 HydrophobicContact CB-CG 3.96Å; K339-K342 HydrophobicContact CD-CD 4.36Å; K339-K342 VanDerWaalsContact CE-CE 3.41Å; K339-K342 HydrophobicContact CG-CD 3.99Å; K339-K342 HydrophobicContact CG-CG 3.82Å
343	S	45.6	Very low	54.2	Low	87 Å²	87	108 Å²	108	61%	0.608	55%	0.545	S	S	*	.			trans	-59.3	149.8	177.2	-53.4	0	0	0	0	111.9	V345 D346	S343-V345 PolarHBondContact O-N 2.95Å; S343-D346 PolarHBondContact O-N 2.82Å
344	Q	51.3	Low	55.4	Low	145 Å²	145	104 Å²	104	68%	0.678	52%	0.516	S	S	*	.	H	α-helix	trans	-46.9	-27.8	174.3	-167.7	175.9	0.7	0	0	114	D346 Y347 N348	Q344-D346 PolarHBondContact O-N 2.79Å; Q344-Y347 PolarHBondContact O-N 2.93Å; Q344-N348 PolarHBondContact O-N 3.46Å
345	V	50.7	Low	57.1	Low	93 Å²	93	99.7 Å²	99.7	56%	0.564	49%	0.493	S	S	*	.	H	α-helix	trans	-63.3	-34.9	176.9	-176	0	0	0	0	113.4	S343 Y347	S343-V345 PolarHBondContact O-N 2.95Å; V345-Y347 VanDerWaalsContact C-N 3.34Å
346	D	55.9	Low	59.1	Low	65 Å²	65	93 Å²	93	35%	0.348	46%	0.463	S	S	.	.	H	α-helix	trans	-73.1	-28.6	178.8	-88.5	-3.7	0	0	0	111.9	S343 Q344 R350	S343-D346 PolarHBondContact O-N 2.82Å; Q344-D346 PolarHBondContact O-N 2.79Å; D346-R350 WeakPolarHBondContact O-CG 3.29Å; D346-R350 PolarHBondContact O-N 3.2Å
347	Y	60.7	Low	61.2	Low	82 Å²	82	91.8 Å²	91.8	32%	0.322	45%	0.446	S	S	.	.	H	α-helix	trans	-69.2	-48.1	178	-177.4	-94	0	0	0	111.3	V305 Q344 V345 K349 R350 S351 D521	V305-Y347 HydrophobicContact CG1-CE2 4.03Å; Q344-Y347 PolarHBondContact O-N 2.93Å; V345-Y347 VanDerWaalsContact C-N 3.34Å; Y347-K349 PolarHBondContact O-N 2.96Å; Y347-R350 PolarHBondContact O-N 3.41Å; Y347-R350 VanDerWaalsContact O-N 3.11Å; Y347-S351 PolarHBondContact O-N 3.3Å; Y347-D521 HydrophobicContact CE2-CB 4.11Å
348	N	61.3	Low	63.7	Low	65 Å²	65	87 Å²	87	35%	0.348	41%	0.413	S	S	.	.	H	α-helix	trans	-59.4	-45.8	-179	-69	4.1	0	0	0	111.7	Q344 R350 S351 E352	Q344-N348 PolarHBondContact O-N 3.46Å; N348-R350 VanDerWaalsContact C-N 3.31Å; N348-R350 PolarHBondContact O-N 3.41Å; N348-S351 WeakPolarHBondContact O-CB 3.43Å; N348-S351 PolarHBondContact O-N 2.89Å; N348-E352 WeakPolarHBondContact O-CB 3.44Å; N348-E352 VanDerWaalsContact O-CG 3.27Å; N348-E352 WeakPolarHBondContact O-CG 3.32Å; N348-E352 PolarHBondContact O-N 3.15Å
349	K	65.7	Low	66	Low	126 Å²	126	79.3 Å²	79.3	55%	0.548	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-34.9	176.5	-72.8	-176.4	178.7	177.8	0	113.5	Y347 N353	Y347-K349 PolarHBondContact O-N 2.96Å; K349-N353 PolarHBondContact O-N 2.94Å; K349-N353 PolarHBondContact O-ND2 2.98Å
350	R	65.3	Low	68.2	Low	113 Å²	113	77.7 Å²	77.7	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-70.5	-44.8	175.2	-78	177.7	168.8	-157.3	-11.2	111	V305 D346 Y347 N348 E352 N353 N354	V305-R350 HydrophobicContact CG1-CB 4.46Å; D346-R350 WeakPolarHBondContact O-CG 3.29Å; D346-R350 PolarHBondContact O-N 3.2Å; Y347-R350 PolarHBondContact O-N 3.41Å; Y347-R350 VanDerWaalsContact O-N 3.11Å; N348-R350 VanDerWaalsContact C-N 3.31Å; N348-R350 PolarHBondContact O-N 3.41Å; R350-E352 PolarHBondContact O-N 3.27Å; R350-N353 PolarHBondContact O-N 3.43Å; R350-N354 PolarHBondContact O-N 2.92Å; R350-N354 VanDerWaalsContact O-N 3.08Å; R350-N354 PolarHBondContact O-ND2 2.79Å
351	S	72.2	Confident	70.5	Confident	5 Å²	5	68.6 Å²	68.6	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-57.1	-49.4	176.5	-171	0	0	0	0	111.6	Y347 N348 N353 N354 V355	Y347-S351 PolarHBondContact O-N 3.3Å; N348-S351 WeakPolarHBondContact O-CB 3.43Å; N348-S351 PolarHBondContact O-N 2.89Å; S351-N353 PolarHBondContact O-N 3.36Å; S351-N354 WeakPolarHBondContact O-CB 3.42Å; S351-N354 PolarHBondContact O-N 2.97Å; S351-N354 VanDerWaalsContact O-N 3.12Å; S351-V355 WeakPolarHBondContact O-CG2 3.23Å; S351-V355 PolarHBondContact O-N 2.56Å
352	E	79.4	Confident	72.8	Confident	36 Å²	36	59.6 Å²	59.6	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-51.8	-51.5	175.3	-77.5	170.2	-156.1	0	0	113.3	N348 R350 N354 V355 I356 I382 Y383 Q386	N348-E352 WeakPolarHBondContact O-CB 3.44Å; N348-E352 VanDerWaalsContact O-CG 3.27Å; N348-E352 WeakPolarHBondContact O-CG 3.32Å; N348-E352 PolarHBondContact O-N 3.15Å; R350-E352 PolarHBondContact O-N 3.27Å; E352-N354 VanDerWaalsContact C-N 3.32Å; E352-N354 PolarHBondContact O-N 2.89Å; E352-V355 PolarHBondContact O-N 3.39Å; E352-I356 WeakPolarHBondContact O-CG1 3.19Å; E352-I356 PolarHBondContact O-N 2.65Å; E352-I382 HydrophobicContact CG-CG2 4.32Å; E352-Y383 HydrophobicContact CB-CD1 4.41Å; E352-Y383 HydrophobicContact CB-CE1 4.1Å; E352-Y383 HydrophobicContact CG-CD1 3.92Å; E352-Y383 HydrophobicContact CG-CE1 3.48Å; E352-Y383 VanDerWaalsContact CG-CE1 3.48Å; E352-Q386 PolarHBondContact OE2-NE2 3.5Å
353	N	84.5	Confident	74.9	Confident	96 Å²	96	59.4 Å²	59.4	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-37.8	178.4	-73	-42.6	0	0	0	112.7	K349 R350 S351 I356 Q357	K349-N353 PolarHBondContact O-N 2.94Å; K349-N353 PolarHBondContact O-ND2 2.98Å; R350-N353 PolarHBondContact O-N 3.43Å; S351-N353 PolarHBondContact O-N 3.36Å; N353-I356 PolarHBondContact O-N 3.39Å; N353-Q357 WeakPolarHBondContact O-CG 3.17Å; N353-Q357 PolarHBondContact O-N 2.83Å
354	N	86	Confident	76.9	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-42.2	178.7	-68.8	-31.2	0	0	0	111.9	Y303 G306 R350 S351 E352 I356 Q357 I358 M519	Y303-N354 HydrophobicContact CD1-CB 4.43Å; Y303-N354 HydrophobicContact CE1-CB 3.62Å; Y303-N354 PolarHBondContact OH-OD1 2.9Å; G306-N354 PolarHBondContact N-ND2 3.04Å; G306-N354 VanDerWaalsContact N-ND2 3.12Å; R350-N354 PolarHBondContact O-N 2.92Å; R350-N354 VanDerWaalsContact O-N 3.08Å; R350-N354 PolarHBondContact O-ND2 2.79Å; S351-N354 WeakPolarHBondContact O-CB 3.42Å; S351-N354 PolarHBondContact O-N 2.97Å; S351-N354 VanDerWaalsContact O-N 3.12Å; E352-N354 VanDerWaalsContact C-N 3.32Å; E352-N354 PolarHBondContact O-N 2.89Å; N354-I356 VanDerWaalsContact C-N 3.27Å; N354-I356 PolarHBondContact O-N 2.97Å; N354-Q357 WeakPolarHBondContact O-CB 3.32Å; N354-Q357 PolarHBondContact O-N 2.82Å; N354-Q357 VanDerWaalsContact O-N 3.11Å; N354-Q357 PolarHBondContact OD1-OE1 2.94Å; N354-I358 VanDerWaalsContact O-CG1 3.28Å; N354-I358 WeakPolarHBondContact O-CG1 3.36Å; N354-I358 PolarHBondContact O-N 2.99Å; N354-M519 HydrophobicContact CB-CE 3.82Å
355	V	89	Confident	78.6	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-45.3	176.1	172.9	0	0	0	0	110.3	S351 E352 Q357 I358 V359 V372 Y383 F461 L478 T480 M519	S351-V355 WeakPolarHBondContact O-CG2 3.23Å; S351-V355 PolarHBondContact O-N 2.56Å; E352-V355 PolarHBondContact O-N 3.39Å; V355-Q357 PolarHBondContact O-N 2.86Å; V355-I358 PolarHBondContact O-N 3.35Å; V355-V359 HydrophobicContact CG1-CG2 4.5Å; V355-V359 VanDerWaalsContact O-CG2 3.31Å; V355-V359 WeakPolarHBondContact O-CG2 3.34Å; V355-V359 PolarHBondContact O-N 3.44Å; V355-V372 HydrophobicContact CG1-CG1 4.32Å; V355-Y383 HydrophobicContact CB-CD1 4.29Å; V355-Y383 HydrophobicContact CB-CE1 4.48Å; V355-Y383 HydrophobicContact CG1-CD1 4.35Å; V355-Y383 HydrophobicContact CG1-CG 4.34Å; V355-Y383 HydrophobicContact CG2-CD1 4.3Å; V355-Y383 HydrophobicContact CG2-CE1 4.06Å; V355-F461 HydrophobicContact CG1-CE1 3.91Å; V355-F461 HydrophobicContact CG1-CZ 4.43Å; V355-L478 HydrophobicContact CG1-CD2 4.35Å; V355-T480 HydrophobicContact CG2-CG2 3.89Å; V355-M519 HydrophobicContact CG2-CE 4.06Å; V355-M519 HydrophobicContact CG2-SD 3.72Å
356	I	88	Confident	80.4	Confident	16 Å²	16	62.7 Å²	62.7	8%	0.082	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-44.5	176.6	-61.2	166.7	0	0	0	111.3	E352 N353 N354 V359 R360 Q386 L387 F390	E352-I356 WeakPolarHBondContact O-CG1 3.19Å; E352-I356 PolarHBondContact O-N 2.65Å; N353-I356 PolarHBondContact O-N 3.39Å; N354-I356 VanDerWaalsContact C-N 3.27Å; N354-I356 PolarHBondContact O-N 2.97Å; I356-V359 PolarHBondContact O-N 2.94Å; I356-R360 VanDerWaalsContact O-CG 3.31Å; I356-R360 WeakPolarHBondContact O-CG 3.46Å; I356-R360 PolarHBondContact O-N 3.44Å; I356-Q386 HydrophobicContact CD1-CB 3.77Å; I356-Q386 HydrophobicContact CG1-CB 4.37Å; I356-L387 HydrophobicContact CB-CD2 4.16Å; I356-L387 HydrophobicContact CG1-CD2 4Å; I356-L387 HydrophobicContact CG1-CG 4.44Å; I356-L387 HydrophobicContact CG2-CD2 3.88Å; I356-F390 HydrophobicContact CG2-CE2 4.2Å
357	Q	87	Confident	82	Confident	71 Å²	71	60.9 Å²	60.9	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-43.4	178.4	-73.8	175.6	-36.6	0	0	112	Y303 N353 N354 V355 R360 L361	Y303-Q357 PolarHBondContact OH-OE1 3.49Å; N353-Q357 WeakPolarHBondContact O-CG 3.17Å; N353-Q357 PolarHBondContact O-N 2.83Å; N354-Q357 WeakPolarHBondContact O-CB 3.32Å; N354-Q357 PolarHBondContact O-N 2.82Å; N354-Q357 VanDerWaalsContact O-N 3.11Å; N354-Q357 PolarHBondContact OD1-OE1 2.94Å; V355-Q357 PolarHBondContact O-N 2.86Å; Q357-R360 PolarHBondContact O-N 2.81Å; Q357-L361 WeakPolarHBondContact O-CB 3.4Å; Q357-L361 PolarHBondContact O-N 3.1Å
358	I	89.6	Confident	83.4	Confident	2 Å²	2	59 Å²	59	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-46.4	178	-64.8	164.4	0	0	0	110.3	Y303 N354 V355 R360 L361 V362 L478 I517 M519	Y303-I358 HydrophobicContact CD1-CD1 3.86Å; Y303-I358 HydrophobicContact CD1-CG1 4.49Å; Y303-I358 HydrophobicContact CD2-CD1 3.79Å; Y303-I358 HydrophobicContact CD2-CG1 3.7Å; Y303-I358 HydrophobicContact CE1-CD1 4.22Å; Y303-I358 HydrophobicContact CE2-CD1 4.12Å; Y303-I358 HydrophobicContact CE2-CG1 3.7Å; Y303-I358 HydrophobicContact CG-CD1 3.63Å; Y303-I358 HydrophobicContact CG-CG1 4.1Å; N354-I358 VanDerWaalsContact O-CG1 3.28Å; N354-I358 WeakPolarHBondContact O-CG1 3.36Å; N354-I358 PolarHBondContact O-N 2.99Å; V355-I358 PolarHBondContact O-N 3.35Å; I358-R360 VanDerWaalsContact C-N 3.29Å; I358-R360 PolarHBondContact O-N 3.17Å; I358-L361 WeakPolarHBondContact O-CB 3.42Å; I358-L361 PolarHBondContact O-N 3.02Å; I358-L361 VanDerWaalsContact O-N 3.1Å; I358-V362 HydrophobicContact CG2-CG2 4.3Å; I358-V362 VanDerWaalsContact O-CG2 3.32Å; I358-V362 WeakPolarHBondContact O-CG2 3.49Å; I358-V362 PolarHBondContact O-N 2.98Å; I358-L478 HydrophobicContact CB-CD2 4.26Å; I358-L478 HydrophobicContact CD1-CD1 3.9Å; I358-L478 HydrophobicContact CD1-CD2 4.34Å; I358-L478 HydrophobicContact CG2-CD1 4.18Å; I358-L478 HydrophobicContact CG2-CD2 3.91Å; I358-I517 HydrophobicContact CD1-CG2 4.46Å; I358-I517 HydrophobicContact CG2-CD1 3.68Å; I358-I517 HydrophobicContact CG2-CG2 4.42Å; I358-M519 HydrophobicContact CD1-CG 3.84Å; I358-M519 HydrophobicContact CD1-SD 3.76Å
359	V	89.6	Confident	84.9	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-37.9	179.2	174.5	0	0	0	0	111.2	V355 I356 V362 K363 I370 V372 L387 F392	V355-V359 HydrophobicContact CG1-CG2 4.5Å; V355-V359 VanDerWaalsContact O-CG2 3.31Å; V355-V359 WeakPolarHBondContact O-CG2 3.34Å; V355-V359 PolarHBondContact O-N 3.44Å; I356-V359 PolarHBondContact O-N 2.94Å; V359-V362 PolarHBondContact O-N 2.97Å; V359-K363 PolarHBondContact O-N 2.93Å; V359-I370 HydrophobicContact CG2-CD1 4.35Å; V359-V372 HydrophobicContact CG2-CG2 4.26Å; V359-L387 HydrophobicContact CB-CD1 4.03Å; V359-L387 HydrophobicContact CB-CD2 4.47Å; V359-L387 HydrophobicContact CG1-CD1 3.69Å; V359-L387 HydrophobicContact CG1-CD2 4.41Å; V359-L387 HydrophobicContact CG2-CD1 4.05Å; V359-F392 HydrophobicContact CG1-CE1 4.09Å; V359-F392 HydrophobicContact CG1-CZ 3.74Å
360	R	87.9	Confident	86.3	Confident	110 Å²	110	50.3 Å²	50.3	42%	0.415	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-44.1	171.8	-72.4	178.3	-168.5	171.6	12.6	112.1	I356 Q357 I358 V362 K363 H364 F390	I356-R360 VanDerWaalsContact O-CG 3.31Å; I356-R360 WeakPolarHBondContact O-CG 3.46Å; I356-R360 PolarHBondContact O-N 3.44Å; Q357-R360 PolarHBondContact O-N 2.81Å; I358-R360 VanDerWaalsContact C-N 3.29Å; I358-R360 PolarHBondContact O-N 3.17Å; R360-V362 VanDerWaalsContact C-N 3.32Å; R360-V362 PolarHBondContact O-N 2.9Å; R360-K363 PolarHBondContact O-N 2.88Å; R360-H364 PolarHBondContact O-CD2 3.06Å; R360-H364 PolarHBondContact O-N 3.42Å; R360-F390 HydrophobicContact CG-CE1 4.48Å
361	L	87.8	Confident	87.8	Confident	53 Å²	53	45 Å²	45	28%	0.277	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-42.3	177.8	-178.6	152.8	0	0	0	111.3	L310 Q357 I358 H364 R365	L310-L361 HydrophobicContact CD1-CD1 3.79Å; L310-L361 HydrophobicContact CD1-CD2 3.44Å; L310-L361 VanDerWaalsContact CD1-CD2 3.44Å; L310-L361 HydrophobicContact CD1-CG 4.28Å; Q357-L361 WeakPolarHBondContact O-CB 3.4Å; Q357-L361 PolarHBondContact O-N 3.1Å; I358-L361 WeakPolarHBondContact O-CB 3.42Å; I358-L361 PolarHBondContact O-N 3.02Å; I358-L361 VanDerWaalsContact O-N 3.1Å; L361-H364 PolarHBondContact O-N 3.08Å; L361-R365 HydrophobicContact CD2-CG 4.46Å; L361-R365 WeakPolarHBondContact O-CG 3.46Å; L361-R365 PolarHBondContact O-N 3.39Å
362	V	88.4	Confident	88.9	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-45	177	165.6	0	0	0	0	110.7	I358 V359 R360 R365 S366 L367 E368 I370 T476 I517	I358-V362 HydrophobicContact CG2-CG2 4.3Å; I358-V362 VanDerWaalsContact O-CG2 3.32Å; I358-V362 WeakPolarHBondContact O-CG2 3.49Å; I358-V362 PolarHBondContact O-N 2.98Å; V359-V362 PolarHBondContact O-N 2.97Å; R360-V362 VanDerWaalsContact C-N 3.32Å; R360-V362 PolarHBondContact O-N 2.9Å; V362-R365 CarbonylContact O-C 3.49Å; V362-R365 PolarHBondContact O-N 3.14Å; V362-S366 PolarHBondContact O-N 3.04Å; V362-S366 VanDerWaalsContact O-N 3.12Å; V362-L367 HydrophobicContact CB-CB 4.41Å; V362-L367 HydrophobicContact CG1-CB 3.77Å; V362-L367 PolarHBondContact O-N 2.89Å; V362-E368 HydrophobicContact CG1-CG 4.47Å; V362-I370 HydrophobicContact CB-CD1 4.44Å; V362-I370 HydrophobicContact CG1-CB 4.14Å; V362-I370 HydrophobicContact CG1-CD1 4.17Å; V362-I370 HydrophobicContact CG1-CG2 4.41Å; V362-I370 HydrophobicContact CG2-CD1 4.07Å; V362-T476 HydrophobicContact CG2-CG2 4.18Å; V362-I517 HydrophobicContact CG2-CD1 4.11Å
363	K	87.2	Confident	89.7	Confident	71 Å²	71	43 Å²	43	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-59.5	-49.9	173.4	-179.6	177.1	-157.5	167.7	0	112.5	V359 R360 R365 S366 E368 D391 F392	V359-K363 PolarHBondContact O-N 2.93Å; R360-K363 PolarHBondContact O-N 2.88Å; K363-R365 PolarHBondContact O-N 3.35Å; K363-S366 PolarHBondContact O-N 2.9Å; K363-E368 WeakPolarHBondContact CA-OE1 3.34Å; K363-E368 VanDerWaalsContact CB-OE1 3.27Å; K363-E368 WeakPolarHBondContact CB-OE1 3.49Å; K363-E368 VanDerWaalsContact CG-OE1 3.24Å; K363-E368 WeakPolarHBondContact CG-OE1 3.46Å; K363-D391 PolarHBondContact NZ-O 3.28Å; K363-F392 HydrophobicContact CB-CE1 4.1Å; K363-F392 HydrophobicContact CD-CD1 3.69Å; K363-F392 HydrophobicContact CD-CE1 3.61Å; K363-F392 HydrophobicContact CG-CD1 4.3Å; K363-F392 HydrophobicContact CG-CE1 4.25Å
364	H	87.5	Confident	90.1	Very high	160 Å²	160	38.4 Å²	38.4	74%	0.741	18%	0.18	S	C	*	.	H	α-helix	trans	-60.9	-29	-179.9	-79	-57.6	0	0	0	113	R360 L361	R360-H364 PolarHBondContact O-CD2 3.06Å; R360-H364 PolarHBondContact O-N 3.42Å; L361-H364 PolarHBondContact O-N 3.08Å
365	R	88	Confident	90.3	Very high	153 Å²	153	40.4 Å²	40.4	58%	0.577	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	7.5	175.7	-65	-172.9	-179.2	-170.5	0.4	113.6	L361 V362 K363 L367	L361-R365 HydrophobicContact CD2-CG 4.46Å; L361-R365 WeakPolarHBondContact O-CG 3.46Å; L361-R365 PolarHBondContact O-N 3.39Å; V362-R365 CarbonylContact O-C 3.49Å; V362-R365 PolarHBondContact O-N 3.14Å; K363-R365 PolarHBondContact O-N 3.35Å; R365-L367 HydrophobicContact CB-CD1 4.01Å; R365-L367 HydrophobicContact CB-CG 3.87Å; R365-L367 PolarHBondContact O-N 3.11Å
366	S	86.7	Confident	90.4	Very high	81 Å²	81	42.2 Å²	42.2	57%	0.566	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.6	-177.3	-53.4	0	0	0	0	113.9	V362 K363 E368 R475	V362-S366 PolarHBondContact O-N 3.04Å; V362-S366 VanDerWaalsContact O-N 3.12Å; K363-S366 PolarHBondContact O-N 2.9Å; S366-E368 PolarHBondContact O-N 2.79Å; S366-R475 PolarHBondContact O-NH1 2.84Å
367	L	89.6	Confident	90.6	Very high	26 Å²	26	43.9 Å²	43.9	14%	0.136	21%	0.207	C	C	.	.			trans	-85.4	23.4	-178.5	-66.1	178.9	0	0	0	113.1	V362 R365 T476 T515	V362-L367 HydrophobicContact CB-CB 4.41Å; V362-L367 HydrophobicContact CG1-CB 3.77Å; V362-L367 PolarHBondContact O-N 2.89Å; R365-L367 HydrophobicContact CB-CD1 4.01Å; R365-L367 HydrophobicContact CB-CG 3.87Å; R365-L367 PolarHBondContact O-N 3.11Å; L367-T476 WeakPolarHBondContact CB-OG1 3.13Å; L367-T476 WeakPolarHBondContact O-CB 3.31Å; L367-T476 PolarHBondContact O-OG1 3.06Å; L367-T515 HydrophobicContact CD1-CG2 4.47Å
368	E	90.4	Very high	90.8	Very high	43 Å²	43	47.2 Å²	47.2	20%	0.201	22%	0.221	C	C	.	.			trans	-83.3	153.2	179	-66.3	171.7	175.5	0	0	111.8	V362 K363 S366 F392 K458	V362-E368 HydrophobicContact CG1-CG 4.47Å; K363-E368 WeakPolarHBondContact CA-OE1 3.34Å; K363-E368 VanDerWaalsContact CB-OE1 3.27Å; K363-E368 WeakPolarHBondContact CB-OE1 3.49Å; K363-E368 VanDerWaalsContact CG-OE1 3.24Å; K363-E368 WeakPolarHBondContact CG-OE1 3.46Å; S366-E368 PolarHBondContact O-N 2.79Å; E368-F392 VanDerWaalsContact OE1-CD1 3.23Å; E368-F392 WeakPolarHBondContact OE1-CD1 3.5Å; E368-K458 HydrophobicContact CG-CB 4.5Å
369	P	93.9	Very high	90.9	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.052	23%	0.233	C	C	.	.	S	Bend	cis	-77.4	156	-1.6	31.9	-34.7	0	0	0	112.6	F452 K458 A474 R475 T476 R507	P369-F452 HydrophobicContact CB-CE2 4.32Å; P369-K458 CarbonylContact C-O 3.54Å; P369-K458 VanDerWaalsContact CA-O 3.26Å; P369-K458 WeakPolarHBondContact CA-O 3.45Å; P369-A474 HydrophobicContact CG-CB 4.4Å; P369-R475 PolarHBondContact O-N 3.44Å; P369-T476 PolarHBondContact O-N 3.42Å; P369-R507 VanDerWaalsContact CD-NH1 3.34Å
370	I	95.2	Very high	91	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.1	177	-175.6	172.3	0	0	0	111.7	V359 V362 V372 K458 C459 L460 T476 L478	V359-I370 HydrophobicContact CG2-CD1 4.35Å; V362-I370 HydrophobicContact CB-CD1 4.44Å; V362-I370 HydrophobicContact CG1-CB 4.14Å; V362-I370 HydrophobicContact CG1-CD1 4.17Å; V362-I370 HydrophobicContact CG1-CG2 4.41Å; V362-I370 HydrophobicContact CG2-CD1 4.07Å; I370-V372 HydrophobicContact CD1-CG2 4.11Å; I370-V372 HydrophobicContact CG1-CG2 4.14Å; I370-K458 WeakPolarHBondContact CG2-O 3.44Å; I370-K458 PolarHBondContact N-O 3.46Å; I370-C459 HydrophobicContact CG2-CB 3.83Å; I370-C459 WeakPolarHBondContact O-CA 3.36Å; I370-L460 PolarHBondContact O-N 2.79Å; I370-T476 CarbonylContact C-O 3.54Å; I370-T476 VanDerWaalsContact CA-O 3.28Å; I370-T476 WeakPolarHBondContact CA-O 2.99Å; I370-T476 HydrophobicContact CD1-CG2 3.91Å; I370-T476 HydrophobicContact CG1-CG2 3.96Å; I370-L478 HydrophobicContact CD1-CB 3.95Å; I370-L478 HydrophobicContact CD1-CD2 4.48Å; I370-L478 HydrophobicContact CG1-CB 4.49Å
371	I	95.5	Very high	91.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.7	164.9	-60.8	159.4	0	0	0	108.3	F373 F452 L460 A462 F466 A474 T476 V477 L478 R504	I371-F373 HydrophobicContact CB-CE2 4.49Å; I371-F373 HydrophobicContact CG2-CD1 4.29Å; I371-F373 HydrophobicContact CG2-CD2 4.13Å; I371-F373 HydrophobicContact CG2-CE1 3.94Å; I371-F373 HydrophobicContact CG2-CE2 3.75Å; I371-F373 HydrophobicContact CG2-CG 4.37Å; I371-F373 HydrophobicContact CG2-CZ 3.64Å; I371-F452 HydrophobicContact CD1-CE1 4.31Å; I371-F452 HydrophobicContact CD1-CZ 3.95Å; I371-F452 HydrophobicContact CG1-CE1 4.48Å; I371-F452 HydrophobicContact CG1-CE2 4.26Å; I371-F452 HydrophobicContact CG1-CZ 3.71Å; I371-L460 CarbonylContact C-O 3.31Å; I371-L460 WeakPolarHBondContact CA-O 3.48Å; I371-L460 HydrophobicContact CG1-CB 4.48Å; I371-L460 HydrophobicContact CG1-CD2 4.42Å; I371-A462 HydrophobicContact CG2-CB 4.19Å; I371-F466 HydrophobicContact CD1-CD1 4.28Å; I371-F466 HydrophobicContact CD1-CE1 3.67Å; I371-F466 HydrophobicContact CG1-CE1 4.17Å; I371-F466 HydrophobicContact CG2-CD1 4.33Å; I371-A474 HydrophobicContact CB-CB 4.47Å; I371-A474 HydrophobicContact CD1-CB 3.46Å; I371-A474 VanDerWaalsContact CD1-CB 3.46Å; I371-A474 HydrophobicContact CG1-CB 3.63Å; I371-T476 PolarHBondContact N-O 2.85Å; I371-V477 HydrophobicContact CB-CG2 4.46Å; I371-V477 CarbonylContact O-C 3.43Å; I371-V477 WeakPolarHBondContact O-CA 3.41Å; I371-L478 PolarHBondContact O-N 2.94Å; I371-R504 HydrophobicContact CD1-CB 4Å
372	V	96.2	Very high	91.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	104.4	175.7	-175.6	0	0	0	0	108.2	V355 V359 I370 S374 L460 F461 A462 L478 T480	V355-V372 HydrophobicContact CG1-CG1 4.32Å; V359-V372 HydrophobicContact CG2-CG2 4.26Å; I370-V372 HydrophobicContact CD1-CG2 4.11Å; I370-V372 HydrophobicContact CG1-CG2 4.14Å; V372-S374 PolarHBondContact O-N 3.46Å; V372-L460 PolarHBondContact N-O 3.44Å; V372-F461 HydrophobicContact CB-CD1 3.57Å; V372-F461 HydrophobicContact CB-CE1 3.76Å; V372-F461 HydrophobicContact CB-CG 4.42Å; V372-F461 HydrophobicContact CG1-CD1 3.7Å; V372-F461 HydrophobicContact CG1-CE1 3.72Å; V372-F461 HydrophobicContact CG2-CD1 4.14Å; V372-F461 HydrophobicContact CG2-CE1 3.88Å; V372-F461 WeakPolarHBondContact O-CA 3.33Å; V372-A462 PolarHBondContact O-N 2.69Å; V372-L478 CarbonylContact C-O 3.58Å; V372-L478 WeakPolarHBondContact CA-O 3.45Å; V372-L478 HydrophobicContact CG1-CB 4.4Å; V372-L478 HydrophobicContact CG1-CD2 3.89Å; V372-L478 HydrophobicContact CG1-CG 4.11Å; V372-L478 HydrophobicContact CG2-CB 4.25Å; V372-L478 HydrophobicContact CG2-CD2 4.02Å; V372-T480 HydrophobicContact CG1-CG2 3.53Å
373	F	95.6	Very high	91.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.5	174.8	-72.3	-66.3	0	0	0	110.8	I371 A462 F466 A467 V477 L478 F479 T480 M501 R504	I371-F373 HydrophobicContact CB-CE2 4.49Å; I371-F373 HydrophobicContact CG2-CD1 4.29Å; I371-F373 HydrophobicContact CG2-CD2 4.13Å; I371-F373 HydrophobicContact CG2-CE1 3.94Å; I371-F373 HydrophobicContact CG2-CE2 3.75Å; I371-F373 HydrophobicContact CG2-CG 4.37Å; I371-F373 HydrophobicContact CG2-CZ 3.64Å; F373-A462 VanDerWaalsContact CA-O 3.26Å; F373-A462 WeakPolarHBondContact CA-O 3.5Å; F373-A462 HydrophobicContact CD1-CB 4.34Å; F373-A462 HydrophobicContact CE1-CB 4.28Å; F373-F466 HydrophobicContact CE1-CB 4.39Å; F373-F466 HydrophobicContact CE1-CD1 4.46Å; F373-A467 HydrophobicContact CE1-CB 3.98Å; F373-A467 HydrophobicContact CZ-CB 3.83Å; F373-V477 HydrophobicContact CD2-CG1 3.51Å; F373-V477 HydrophobicContact CE2-CG1 3.62Å; F373-V477 HydrophobicContact CE2-CG2 4.35Å; F373-L478 PolarHBondContact N-O 3.42Å; F373-F479 HydrophobicContact CB-CD1 4.21Å; F373-F479 HydrophobicContact CD2-CE1 4.29Å; F373-T480 PolarHBondContact O-N 3.07Å; F373-T480 VanDerWaalsContact O-N 3.1Å; F373-T480 PolarHBondContact O-OG1 3.41Å; F373-M501 HydrophobicContact CB-SD 4.29Å; F373-M501 HydrophobicContact CD1-CG 4.38Å; F373-M501 HydrophobicContact CD1-SD 4.17Å; F373-M501 HydrophobicContact CD2-CB 3.91Å; F373-M501 HydrophobicContact CD2-CG 4.24Å; F373-M501 HydrophobicContact CD2-SD 4.33Å; F373-M501 HydrophobicContact CE1-CG 4.29Å; F373-M501 HydrophobicContact CE2-CB 3.75Å; F373-M501 HydrophobicContact CE2-CG 4.16Å; F373-M501 WeakPolarHBondContact CE2-O 3.48Å; F373-M501 HydrophobicContact CG-CG 4.36Å; F373-M501 HydrophobicContact CG-SD 4.01Å; F373-M501 HydrophobicContact CZ-CB 4.2Å; F373-M501 HydrophobicContact CZ-CG 4.19Å; F373-R504 HydrophobicContact CZ-CG 4.36Å
374	S	93.5	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.			trans	-124.7	134.1	168.3	179.7	0	0	0	0	110.2	V372 S376 E379 A462 T463	V372-S374 PolarHBondContact O-N 3.46Å; S374-S376 PolarHBondContact O-N 2.93Å; S374-E379 WeakPolarHBondContact OG-CB 3.5Å; S374-E379 PolarHBondContact OG-OE2 3.29Å; S374-E379 VanDerWaalsContact OG-OE2 3.11Å; S374-A462 PolarHBondContact N-O 3.33Å; S374-T463 WeakPolarHBondContact O-CA 3.22Å; S374-T463 WeakPolarHBondContact O-CG2 3.11Å
375	F	90.8	Very high	92.1	Very high	50 Å²	50	41.3 Å²	41.3	22%	0.219	20%	0.201	C	C	.	.	S	Bend	trans	-81.4	4.1	-176.2	-54.6	-67.9	0	0	0	113.8	F479 S481 R483 K484 I493 M501	F375-F479 HydrophobicContact CZ-CD1 4.49Å; F375-S481 WeakPolarHBondContact CE2-O 3.45Å; F375-R483 WeakPolarHBondContact CD2-O 3.2Å; F375-K484 HydrophobicContact CB-CB 3.98Å; F375-K484 HydrophobicContact CD1-CB 3.98Å; F375-K484 HydrophobicContact CD1-CD 4.14Å; F375-K484 HydrophobicContact CD2-CB 3.82Å; F375-K484 HydrophobicContact CE1-CB 4.5Å; F375-K484 HydrophobicContact CE1-CD 4.28Å; F375-K484 HydrophobicContact CE2-CB 4.36Å; F375-K484 HydrophobicContact CG-CB 3.62Å; F375-I493 HydrophobicContact CE1-CD1 4.46Å; F375-I493 HydrophobicContact CE2-CD1 3.55Å; F375-I493 HydrophobicContact CE2-CG1 4.06Å; F375-I493 HydrophobicContact CZ-CD1 3.33Å; F375-I493 HydrophobicContact CZ-CG1 3.78Å; F375-M501 HydrophobicContact CE1-CE 3.93Å; F375-M501 HydrophobicContact CE1-SD 3.91Å; F375-M501 HydrophobicContact CZ-CE 4.08Å; F375-M501 HydrophobicContact CZ-SD 4.26Å
376	S	91	Very high	92.1	Very high	39 Å²	39	36.6 Å²	36.6	27%	0.273	19%	0.186	S	C	.	.			trans	-122.5	123.6	178.6	168.5	0	0	0	0	110.8	S374 K378 E379 C380	S374-S376 PolarHBondContact O-N 2.93Å; S376-K378 PolarHBondContact O-N 3.24Å; S376-E379 PolarHBondContact O-N 2.79Å; S376-E379 VanDerWaalsContact O-N 3.11Å; S376-E379 PolarHBondContact OG-N 3.4Å; S376-C380 PolarHBondContact O-N 3.24Å; S376-C380 VanDerWaalsContact O-N 3.08Å
377	K	91	Very high	92.2	Very high	52 Å²	52	32.8 Å²	32.8	23%	0.226	16%	0.159	C	C	.	.	H	α-helix	trans	-51.8	-46.9	175.5	-58	177.5	-173.6	173.2	0	110.8	E379 C380 E381 H437 E912 F985	K377-E379 PolarHBondContact O-N 3.06Å; K377-C380 WeakPolarHBondContact O-CB 3.41Å; K377-C380 PolarHBondContact O-N 3.3Å; K377-E381 PolarHBondContact O-N 3.12Å; K377-H437 HydrophobicContact CB-CB 4.41Å; K377-H437 HydrophobicContact CG-CB 4.12Å; K377-E912 IonicContact NZ-OE1 2.66Å; K377-E912 PolarHBondContact NZ-OE1 2.97Å; K377-E912 IonicContact NZ-OE2 3.24Å; K377-E912 PolarHBondContact NZ-OE2 3.26Å; K377-F985 HydrophobicContact CB-CE2 3.83Å; K377-F985 HydrophobicContact CB-CZ 4.06Å; K377-F985 HydrophobicContact CD-CD2 4.08Å; K377-F985 HydrophobicContact CD-CE2 4.08Å
378	K	90.9	Very high	92	Very high	141 Å²	141	32.4 Å²	32.4	61%	0.613	16%	0.159	S	C	*	.	H	α-helix	trans	-65.1	-37.7	-179.9	-173.6	171.7	-175.6	167.3	0	112.7	S376 E381 I382 F985	S376-K378 PolarHBondContact O-N 3.24Å; K378-E381 PolarHBondContact O-N 3.33Å; K378-I382 HydrophobicContact CG-CD1 3.98Å; K378-I382 VanDerWaalsContact O-CG1 3.28Å; K378-I382 WeakPolarHBondContact O-CG1 3.41Å; K378-I382 PolarHBondContact O-N 3.43Å; K378-I382 VanDerWaalsContact O-N 3.1Å; K378-F985 HydrophobicContact CB-CZ 4.49Å
379	E	91.6	Very high	91.7	Very high	58 Å²	58	39.2 Å²	39.2	27%	0.271	19%	0.188	S	C	.	.	H	α-helix	trans	-68.1	-38.7	176.9	-73.3	-176.1	-161.9	0	0	112.2	S374 S376 K377 E381 I382 Y383	S374-E379 WeakPolarHBondContact OG-CB 3.5Å; S374-E379 PolarHBondContact OG-OE2 3.29Å; S374-E379 VanDerWaalsContact OG-OE2 3.11Å; S376-E379 PolarHBondContact O-N 2.79Å; S376-E379 VanDerWaalsContact O-N 3.11Å; S376-E379 PolarHBondContact OG-N 3.4Å; K377-E379 PolarHBondContact O-N 3.06Å; E379-E381 VanDerWaalsContact C-N 3.29Å; E379-E381 PolarHBondContact O-N 3.48Å; E379-I382 PolarHBondContact O-N 3.46Å; E379-Y383 HydrophobicContact CB-CD2 4.23Å; E379-Y383 HydrophobicContact CB-CE2 3.69Å; E379-Y383 HydrophobicContact CG-CE2 4.48Å; E379-Y383 WeakPolarHBondContact O-CD2 3.45Å; E379-Y383 VanDerWaalsContact O-CG 3.31Å; E379-Y383 PolarHBondContact O-N 2.95Å; E379-Y383 PolarHBondContact OE2-OH 3.03Å; E379-Y383 VanDerWaalsContact OE2-OH 3.13Å
380	C	93.2	Very high	91.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54.5	-45.7	175	-68.4	0	0	0	0	111.8	S376 K377 A384 I435 F461	S376-C380 PolarHBondContact O-N 3.24Å; S376-C380 VanDerWaalsContact O-N 3.08Å; K377-C380 WeakPolarHBondContact O-CB 3.41Å; K377-C380 PolarHBondContact O-N 3.3Å; C380-A384 WeakPolarHBondContact O-CB 3.5Å; C380-A384 PolarHBondContact O-N 2.87Å; C380-A384 VanDerWaalsContact O-N 3.13Å; C380-I435 HydrophobicContact CB-CG2 4.13Å; C380-F461 HydrophobicContact CB-CB 4.09Å
381	E	92.9	Very high	91	Very high	50 Å²	50	44.5 Å²	44.5	23%	0.234	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-43.5	177.5	-65.6	-174.5	175.5	0	0	112.4	K377 K378 E379 Y383 A384 L385 I435 H437 F985	K377-E381 PolarHBondContact O-N 3.12Å; K378-E381 PolarHBondContact O-N 3.33Å; E379-E381 VanDerWaalsContact C-N 3.29Å; E379-E381 PolarHBondContact O-N 3.48Å; E381-Y383 PolarHBondContact O-N 3.29Å; E381-A384 PolarHBondContact O-N 3.36Å; E381-L385 WeakPolarHBondContact O-CB 3.28Å; E381-L385 WeakPolarHBondContact O-CG 3.39Å; E381-L385 PolarHBondContact O-N 3.01Å; E381-I435 HydrophobicContact CG-CD1 4.32Å; E381-I435 HydrophobicContact CG-CG2 4.35Å; E381-H437 IonicContact OE1-CE1 2.63Å; E381-H437 IonicContact OE1-NE2 3.08Å; E381-H437 PolarHBondContact OE1-NE2 3.39Å; E381-F985 VanDerWaalsContact OE1-CE1 3.24Å; E381-F985 WeakPolarHBondContact OE1-CE1 3.41Å
382	I	92.2	Very high	90.7	Very high	56 Å²	56	45.4 Å²	45.4	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-48.8	178.2	-70.2	167.4	0	0	0	110.8	E352 K378 E379 A384 L385 Q386	E352-I382 HydrophobicContact CG-CG2 4.32Å; K378-I382 HydrophobicContact CG-CD1 3.98Å; K378-I382 VanDerWaalsContact O-CG1 3.28Å; K378-I382 WeakPolarHBondContact O-CG1 3.41Å; K378-I382 PolarHBondContact O-N 3.43Å; K378-I382 VanDerWaalsContact O-N 3.1Å; E379-I382 PolarHBondContact O-N 3.46Å; I382-A384 VanDerWaalsContact C-N 3.33Å; I382-A384 PolarHBondContact O-N 2.88Å; I382-L385 PolarHBondContact O-N 3.46Å; I382-Q386 WeakPolarHBondContact O-CG 3.46Å; I382-Q386 PolarHBondContact O-N 3.35Å
383	Y	92.7	Very high	90.4	Very high	7 Å²	7	46 Å²	46	3%	0.027	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-40.2	179.7	-62.2	-47.3	0	0	0	111.8	E352 V355 E379 E381 Q386 L387 F461 T480	E352-Y383 HydrophobicContact CB-CD1 4.41Å; E352-Y383 HydrophobicContact CB-CE1 4.1Å; E352-Y383 HydrophobicContact CG-CD1 3.92Å; E352-Y383 HydrophobicContact CG-CE1 3.48Å; E352-Y383 VanDerWaalsContact CG-CE1 3.48Å; V355-Y383 HydrophobicContact CB-CD1 4.29Å; V355-Y383 HydrophobicContact CB-CE1 4.48Å; V355-Y383 HydrophobicContact CG1-CD1 4.35Å; V355-Y383 HydrophobicContact CG1-CG 4.34Å; V355-Y383 HydrophobicContact CG2-CD1 4.3Å; V355-Y383 HydrophobicContact CG2-CE1 4.06Å; E379-Y383 HydrophobicContact CB-CD2 4.23Å; E379-Y383 HydrophobicContact CB-CE2 3.69Å; E379-Y383 HydrophobicContact CG-CE2 4.48Å; E379-Y383 WeakPolarHBondContact O-CD2 3.45Å; E379-Y383 VanDerWaalsContact O-CG 3.31Å; E379-Y383 PolarHBondContact O-N 2.95Å; E379-Y383 PolarHBondContact OE2-OH 3.03Å; E379-Y383 VanDerWaalsContact OE2-OH 3.13Å; E381-Y383 PolarHBondContact O-N 3.29Å; Y383-Q386 PolarHBondContact O-N 2.89Å; Y383-L387 PolarHBondContact O-N 2.86Å; Y383-F461 HydrophobicContact CD2-CD1 4.28Å; Y383-F461 HydrophobicContact CD2-CE1 4.34Å; Y383-F461 HydrophobicContact CG-CD1 4.44Å; Y383-F461 HydrophobicContact CG-CE1 4.14Å; Y383-T480 HydrophobicContact CD2-CG2 4.38Å; Y383-T480 HydrophobicContact CE2-CG2 3.84Å
384	A	92.1	Very high	90.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-44.5	177.4	0	0	0	0	0	112.5	C380 E381 I382 Q386 L387 A388 L428 I433 I435 F461	C380-A384 WeakPolarHBondContact O-CB 3.5Å; C380-A384 PolarHBondContact O-N 2.87Å; C380-A384 VanDerWaalsContact O-N 3.13Å; E381-A384 PolarHBondContact O-N 3.36Å; I382-A384 VanDerWaalsContact C-N 3.33Å; I382-A384 PolarHBondContact O-N 2.88Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 3.3Å; A384-L387 CarbonylContact O-C 3.51Å; A384-L387 PolarHBondContact O-N 3.43Å; A384-A388 PolarHBondContact O-N 3.27Å; A384-L428 HydrophobicContact CB-CD1 4.18Å; A384-I433 HydrophobicContact CB-CG2 4.08Å; A384-I435 HydrophobicContact CB-CD1 3.51Å; A384-I435 HydrophobicContact CB-CG1 3.43Å; A384-I435 VanDerWaalsContact CB-CG1 3.43Å; A384-F461 HydrophobicContact CB-CD2 3.69Å; A384-F461 HydrophobicContact CB-CE2 4Å; A384-F461 HydrophobicContact CB-CG 4.46Å
385	L	91.2	Very high	90	Very high	102 Å²	102	55.3 Å²	55.3	53%	0.534	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-36.3	176.4	-73.1	172.7	0	0	0	112.3	E381 I382 A388	E381-L385 WeakPolarHBondContact O-CB 3.28Å; E381-L385 WeakPolarHBondContact O-CG 3.39Å; E381-L385 PolarHBondContact O-N 3.01Å; I382-L385 PolarHBondContact O-N 3.46Å; L385-A388 WeakPolarHBondContact O-CB 3.49Å; L385-A388 PolarHBondContact O-N 3.24Å
386	Q	88.7	Confident	90.1	Very high	55 Å²	55	56.2 Å²	56.2	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-69.5	-35.7	175.9	-71.4	-179.5	-8.1	0	0	112.8	E352 I356 I382 Y383 A384 A388	E352-Q386 PolarHBondContact OE2-NE2 3.5Å; I356-Q386 HydrophobicContact CD1-CB 3.77Å; I356-Q386 HydrophobicContact CG1-CB 4.37Å; I382-Q386 WeakPolarHBondContact O-CG 3.46Å; I382-Q386 PolarHBondContact O-N 3.35Å; Y383-Q386 PolarHBondContact O-N 2.89Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 3.3Å; Q386-A388 VanDerWaalsContact C-N 3.25Å; Q386-A388 PolarHBondContact O-N 3.33Å
387	L	88.5	Confident	90.2	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-75.9	-11	173.2	-80.3	-168.8	0	0	0	113.9	I356 V359 Y383 A384 K389 F390 I433 F461	I356-L387 HydrophobicContact CB-CD2 4.16Å; I356-L387 HydrophobicContact CG1-CD2 4Å; I356-L387 HydrophobicContact CG1-CG 4.44Å; I356-L387 HydrophobicContact CG2-CD2 3.88Å; V359-L387 HydrophobicContact CB-CD1 4.03Å; V359-L387 HydrophobicContact CB-CD2 4.47Å; V359-L387 HydrophobicContact CG1-CD1 3.69Å; V359-L387 HydrophobicContact CG1-CD2 4.41Å; V359-L387 HydrophobicContact CG2-CD1 4.05Å; Y383-L387 PolarHBondContact O-N 2.86Å; A384-L387 CarbonylContact O-C 3.51Å; A384-L387 PolarHBondContact O-N 3.43Å; L387-K389 PolarHBondContact O-N 3.49Å; L387-F390 HydrophobicContact CD2-CD2 3.84Å; L387-F390 HydrophobicContact CD2-CE2 4.37Å; L387-F390 PolarHBondContact O-N 2.94Å; L387-I433 HydrophobicContact CB-CD1 3.84Å; L387-I433 VanDerWaalsContact O-CD1 3.31Å; L387-I433 WeakPolarHBondContact O-CD1 3.34Å; L387-F461 HydrophobicContact CD1-CE2 3.72Å; L387-F461 HydrophobicContact CD1-CZ 3.43Å; L387-F461 VanDerWaalsContact CD1-CZ 3.43Å; L387-F461 HydrophobicContact CG-CE2 4.47Å; L387-F461 HydrophobicContact CG-CZ 4.15Å
388	A	85.2	Confident	90.3	Very high	17 Å²	17	56 Å²	56	14%	0.14	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-27.3	179.7	0	0	0	0	0	112.4	A384 L385 Q386 F390 L428 R431	A384-A388 PolarHBondContact O-N 3.27Å; L385-A388 WeakPolarHBondContact O-CB 3.49Å; L385-A388 PolarHBondContact O-N 3.24Å; Q386-A388 VanDerWaalsContact C-N 3.25Å; Q386-A388 PolarHBondContact O-N 3.33Å; A388-F390 PolarHBondContact O-N 3.39Å; A388-F390 VanDerWaalsContact O-N 3.14Å; A388-L428 HydrophobicContact CB-CD2 3.6Å; A388-R431 WeakPolarHBondContact O-CD 3.32Å; A388-R431 PolarHBondContact O-NE 3.48Å; A388-R431 PolarHBondContact O-NH1 3.34Å
389	K	84.9	Confident	90.5	Very high	186 Å²	186	56.7 Å²	56.7	81%	0.809	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.9	177.2	-62.5	179	-177.1	175.9	0	114.4	L387	L387-K389 PolarHBondContact O-N 3.49Å
390	F	85.5	Confident	90.6	Very high	55 Å²	55	57 Å²	57	24%	0.241	29%	0.294	C	S	.	.			trans	-103.4	142.7	-177.8	-62.4	-79	0	0	0	111	I356 R360 L387 A388 F392 R431	I356-F390 HydrophobicContact CG2-CE2 4.2Å; R360-F390 HydrophobicContact CG-CE1 4.48Å; L387-F390 HydrophobicContact CD2-CD2 3.84Å; L387-F390 HydrophobicContact CD2-CE2 4.37Å; L387-F390 PolarHBondContact O-N 2.94Å; A388-F390 PolarHBondContact O-N 3.39Å; A388-F390 VanDerWaalsContact O-N 3.14Å; F390-F392 HydrophobicContact CB-CD2 4.44Å; F390-F392 HydrophobicContact CB-CE2 3.72Å; F390-F392 HydrophobicContact CB-CZ 4Å; F390-R431 WeakPolarHBondContact O-CB 3.39Å
391	D	88.8	Confident	90.6	Very high	65 Å²	65	57 Å²	57	35%	0.348	30%	0.295	S	S	.	.			trans	-115.3	118.5	176.1	-170.7	-0.7	0	0	0	109.6	K363 T393 K398	K363-D391 PolarHBondContact NZ-O 3.28Å; D391-T393 PolarHBondContact OD1-N 3.28Å; D391-T393 VanDerWaalsContact OD1-N 3.08Å; D391-T393 PolarHBondContact OD1-OG1 3.04Å; D391-K398 WeakPolarHBondContact OD1-CE 3.49Å; D391-K398 IonicContact OD1-NZ 2.74Å; D391-K398 WeakPolarHBondContact OD2-CE 3.35Å; D391-K398 IonicContact OD2-NZ 2.78Å; D391-K398 PolarHBondContact OD2-NZ 3.38Å
392	F	89	Confident	90.6	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.088	29%	0.289	C	S	.	.			trans	-102.8	-3.1	-179.6	-58.4	-92.9	0	0	0	112.8	V359 K363 E368 F390 R431 I433 K458	V359-F392 HydrophobicContact CG1-CE1 4.09Å; V359-F392 HydrophobicContact CG1-CZ 3.74Å; K363-F392 HydrophobicContact CB-CE1 4.1Å; K363-F392 HydrophobicContact CD-CD1 3.69Å; K363-F392 HydrophobicContact CD-CE1 3.61Å; K363-F392 HydrophobicContact CG-CD1 4.3Å; K363-F392 HydrophobicContact CG-CE1 4.25Å; E368-F392 VanDerWaalsContact OE1-CD1 3.23Å; E368-F392 WeakPolarHBondContact OE1-CD1 3.5Å; F390-F392 HydrophobicContact CB-CD2 4.44Å; F390-F392 HydrophobicContact CB-CE2 3.72Å; F390-F392 HydrophobicContact CB-CZ 4Å; F392-R431 WeakPolarHBondContact CB-O 3.28Å; F392-R431 WeakPolarHBondContact CD2-O 3.49Å; F392-R431 PolarHBondContact N-O 3.21Å; F392-I433 HydrophobicContact CD2-CD1 4.28Å; F392-I433 HydrophobicContact CD2-CG1 3.88Å; F392-I433 HydrophobicContact CE2-CD1 4.01Å; F392-I433 HydrophobicContact CE2-CG1 3.88Å; F392-K458 HydrophobicContact CB-CB 3.83Å; F392-K458 HydrophobicContact CB-CG 3.78Å; F392-K458 HydrophobicContact CG-CB 4.39Å
393	T	89.1	Confident	90.7	Very high	12 Å²	12	58.6 Å²	58.6	7%	0.074	30%	0.302	C	S	.	.	S	Bend	trans	-112.6	148.6	-173	45.5	0	0	0	0	112.3	D391 E397 K398 K430 G432	D391-T393 PolarHBondContact OD1-N 3.28Å; D391-T393 VanDerWaalsContact OD1-N 3.08Å; D391-T393 PolarHBondContact OD1-OG1 3.04Å; T393-E397 HydrophobicContact CG2-CB 4.38Å; T393-K398 WeakPolarHBondContact OG1-CE 3.42Å; T393-K430 PolarHBondContact OG1-O 2.87Å; T393-G432 VanDerWaalsContact CG2-CA 3.47Å
394	T	90.8	Very high	90.6	Very high	79 Å²	79	60.4 Å²	60.4	49%	0.485	31%	0.313	S	S	.	.			trans	-78.3	158	168.9	62	0	0	0	0	111.1	A396 E397 K398	T394-A396 PolarHBondContact O-N 2.83Å; T394-A396 VanDerWaalsContact O-N 3.15Å; T394-E397 PolarHBondContact N-OE2 2.84Å; T394-E397 PolarHBondContact O-N 3.16Å; T394-E397 VanDerWaalsContact O-N 3.12Å; T394-E397 VanDerWaalsContact OG1-CG 3.29Å; T394-E397 WeakPolarHBondContact OG1-CG 3.4Å; T394-E397 PolarHBondContact OG1-N 2.92Å; T394-E397 PolarHBondContact OG1-OE2 2.93Å; T394-K398 WeakPolarHBondContact O-CG 3.23Å; T394-K398 PolarHBondContact O-N 3.44Å
395	D	91.1	Very high	90.6	Very high	116 Å²	116	60.7 Å²	60.7	62%	0.62	31%	0.314	S	S	*	.	H	α-helix	trans	-63.6	-21.8	179.2	-63.7	-33.6	0	0	0	113.6	K398 K399	D395-K398 IonicContact OD1-NZ 3.93Å; D395-K398 PolarHBondContact OD1-NZ 2.98Å; D395-K399 WeakPolarHBondContact O-CG 3.44Å; D395-K399 PolarHBondContact O-N 3.13Å
396	A	92.2	Very high	90.6	Very high	70 Å²	70	62.4 Å²	62.4	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-72.3	-49.3	171.6	0	0	0	0	0	111.4	T394 K398 K399 V400	T394-A396 PolarHBondContact O-N 2.83Å; T394-A396 VanDerWaalsContact O-N 3.15Å; A396-K398 VanDerWaalsContact C-N 3.26Å; A396-K398 PolarHBondContact O-N 3.12Å; A396-K399 PolarHBondContact O-N 3.46Å; A396-K399 VanDerWaalsContact O-N 3.14Å; A396-V400 PolarHBondContact O-N 3.14Å
397	E	92.9	Very high	90.7	Very high	42 Å²	42	64.7 Å²	64.7	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-59.3	-39.1	175.7	-70.6	166.7	136.1	0	0	111.1	T393 T394 K399 V400 V401 L456 K458	T393-E397 HydrophobicContact CG2-CB 4.38Å; T394-E397 PolarHBondContact N-OE2 2.84Å; T394-E397 PolarHBondContact O-N 3.16Å; T394-E397 VanDerWaalsContact O-N 3.12Å; T394-E397 VanDerWaalsContact OG1-CG 3.29Å; T394-E397 WeakPolarHBondContact OG1-CG 3.4Å; T394-E397 PolarHBondContact OG1-N 2.92Å; T394-E397 PolarHBondContact OG1-OE2 2.93Å; E397-K399 VanDerWaalsContact C-N 3.27Å; E397-K399 PolarHBondContact O-N 3.08Å; E397-V400 PolarHBondContact O-N 3.4Å; E397-V400 VanDerWaalsContact O-N 3.17Å; E397-V401 VanDerWaalsContact O-CG2 3.3Å; E397-V401 WeakPolarHBondContact O-CG2 3.48Å; E397-V401 PolarHBondContact O-N 2.78Å; E397-L456 HydrophobicContact CB-CD2 4Å; E397-L456 HydrophobicContact CG-CD2 3.93Å; E397-K458 WeakPolarHBondContact OE1-CE 3.46Å; E397-K458 IonicContact OE1-NZ 3.41Å; E397-K458 PolarHBondContact OE1-NZ 3.29Å
398	K	93.5	Very high	90.6	Very high	44 Å²	44	65.1 Å²	65.1	19%	0.191	33%	0.331	C	S	.	.	H	α-helix	trans	-57.2	-38.8	176.1	-71.8	-179	-164.8	158.8	0	113.4	D391 T393 T394 D395 A396 D402 K430	D391-K398 WeakPolarHBondContact OD1-CE 3.49Å; D391-K398 IonicContact OD1-NZ 2.74Å; D391-K398 WeakPolarHBondContact OD2-CE 3.35Å; D391-K398 IonicContact OD2-NZ 2.78Å; D391-K398 PolarHBondContact OD2-NZ 3.38Å; T393-K398 WeakPolarHBondContact OG1-CE 3.42Å; T394-K398 WeakPolarHBondContact O-CG 3.23Å; T394-K398 PolarHBondContact O-N 3.44Å; D395-K398 IonicContact OD1-NZ 3.93Å; D395-K398 PolarHBondContact OD1-NZ 2.98Å; A396-K398 VanDerWaalsContact C-N 3.26Å; A396-K398 PolarHBondContact O-N 3.12Å; K398-D402 VanDerWaalsContact O-CB 3.25Å; K398-D402 WeakPolarHBondContact O-CB 3.49Å; K398-D402 PolarHBondContact O-N 3.45Å; K398-K430 WeakPolarHBondContact CE-O 3.49Å; K398-K430 VanDerWaalsContact CG-O 3.25Å; K398-K430 WeakPolarHBondContact CG-O 3.35Å
399	K	93.6	Very high	90.8	Very high	155 Å²	155	64.9 Å²	64.9	67%	0.674	33%	0.328	S	S	*	.	H	α-helix	trans	-67.9	-42.9	178.3	-71.8	176.3	-177.1	179.9	0	111.1	D395 A396 E397 D402 E403	D395-K399 WeakPolarHBondContact O-CG 3.44Å; D395-K399 PolarHBondContact O-N 3.13Å; A396-K399 PolarHBondContact O-N 3.46Å; A396-K399 VanDerWaalsContact O-N 3.14Å; E397-K399 VanDerWaalsContact C-N 3.27Å; E397-K399 PolarHBondContact O-N 3.08Å; K399-D402 PolarHBondContact O-N 2.86Å; K399-E403 WeakPolarHBondContact O-CB 3.46Å; K399-E403 PolarHBondContact O-N 3.3Å
400	V	94	Very high	90.8	Very high	65 Å²	65	60.4 Å²	60.4	39%	0.394	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-45.5	176.8	-178.8	0	0	0	0	110.6	A396 E397 D402 E403 V404 L456	A396-V400 PolarHBondContact O-N 3.14Å; E397-V400 PolarHBondContact O-N 3.4Å; E397-V400 VanDerWaalsContact O-N 3.17Å; V400-D402 VanDerWaalsContact C-N 3.34Å; V400-D402 PolarHBondContact O-N 3.12Å; V400-E403 PolarHBondContact O-N 3.4Å; V400-V404 HydrophobicContact CG1-CG2 4.33Å; V400-V404 VanDerWaalsContact O-CG2 3.32Å; V400-V404 WeakPolarHBondContact O-CG2 3.4Å; V400-V404 PolarHBondContact O-N 3.5Å; V400-L456 HydrophobicContact CB-CD1 4.48Å; V400-L456 HydrophobicContact CG1-CD1 3.84Å
401	V	93.6	Very high	90.5	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-46	175.6	171.8	0	0	0	0	111.1	E397 E403 F405 L429 L451 L456	E397-V401 VanDerWaalsContact O-CG2 3.3Å; E397-V401 WeakPolarHBondContact O-CG2 3.48Å; E397-V401 PolarHBondContact O-N 2.78Å; V401-E403 VanDerWaalsContact C-N 3.34Å; V401-E403 PolarHBondContact O-N 2.98Å; V401-F405 WeakPolarHBondContact O-CB 3.43Å; V401-F405 PolarHBondContact O-N 3.36Å; V401-L429 HydrophobicContact CG1-CB 3.76Å; V401-L451 HydrophobicContact CG1-CD1 4.09Å; V401-L451 HydrophobicContact CG2-CD2 4.17Å; V401-L456 HydrophobicContact CG2-CB 3.86Å; V401-L456 HydrophobicContact CG2-CD1 4.09Å; V401-L456 HydrophobicContact CG2-CD2 4.46Å; V401-L456 HydrophobicContact CG2-CG 4.36Å
402	D	93.8	Very high	90.3	Very high	21 Å²	21	58.7 Å²	58.7	11%	0.112	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-38.4	178.6	-165.4	45	0	0	0	111.9	K398 K399 V400 R406 K430	K398-D402 VanDerWaalsContact O-CB 3.25Å; K398-D402 WeakPolarHBondContact O-CB 3.49Å; K398-D402 PolarHBondContact O-N 3.45Å; K399-D402 PolarHBondContact O-N 2.86Å; V400-D402 VanDerWaalsContact C-N 3.34Å; V400-D402 PolarHBondContact O-N 3.12Å; D402-R406 VanDerWaalsContact O-CB 3.27Å; D402-R406 WeakPolarHBondContact O-CB 3.42Å; D402-R406 WeakPolarHBondContact O-CG 3.29Å; D402-R406 PolarHBondContact O-N 3.11Å; D402-R406 IonicContact OD1-CZ 3.87Å; D402-R406 IonicContact OD1-NE 2.94Å; D402-R406 IonicContact OD1-NH2 3.93Å; D402-R406 PolarHBondContact OD1-NH2 3.36Å; D402-R406 IonicContact OD2-CZ 3.6Å; D402-R406 IonicContact OD2-NE 3.51Å; D402-R406 IonicContact OD2-NH1 3.41Å; D402-R406 PolarHBondContact OD2-NH1 2.69Å; D402-R406 IonicContact OD2-NH2 2.83Å; D402-R406 PolarHBondContact OD2-NH2 3.06Å; D402-K430 VanDerWaalsContact CG-CE 3.44Å; D402-K430 VanDerWaalsContact CG-NZ 3.26Å; D402-K430 WeakPolarHBondContact OD1-CE 3.2Å; D402-K430 IonicContact OD1-NZ 3.55Å; D402-K430 PolarHBondContact OD1-NZ 3.12Å; D402-K430 IonicContact OD2-NZ 3.65Å; D402-K430 PolarHBondContact OD2-NZ 2.98Å
403	E	92.7	Very high	90.1	Very high	118 Å²	118	59.9 Å²	59.9	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-67.5	-50.6	176.6	-175.6	176	-177.7	0	0	111.8	K399 V400 V401 F405 R406 N407	K399-E403 WeakPolarHBondContact O-CB 3.46Å; K399-E403 PolarHBondContact O-N 3.3Å; V400-E403 PolarHBondContact O-N 3.4Å; V401-E403 VanDerWaalsContact C-N 3.34Å; V401-E403 PolarHBondContact O-N 2.98Å; E403-F405 VanDerWaalsContact C-N 3.31Å; E403-F405 PolarHBondContact O-N 2.88Å; E403-R406 PolarHBondContact O-N 2.98Å; E403-N407 WeakPolarHBondContact O-CB 3.31Å; E403-N407 PolarHBondContact O-N 3.1Å; E403-N407 PolarHBondContact O-ND2 3.14Å
404	V	91.1	Very high	89.9	Confident	44 Å²	44	64.4 Å²	64.4	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-59.6	-44.5	177.5	173.1	0	0	0	0	110.7	V400 N407 A408 L451	V400-V404 HydrophobicContact CG1-CG2 4.33Å; V400-V404 VanDerWaalsContact O-CG2 3.32Å; V400-V404 WeakPolarHBondContact O-CG2 3.4Å; V400-V404 PolarHBondContact O-N 3.5Å; V404-N407 PolarHBondContact O-N 3.36Å; V404-A408 WeakPolarHBondContact O-CB 3.36Å; V404-A408 PolarHBondContact O-N 3.2Å; V404-L451 HydrophobicContact CB-CD2 3.98Å; V404-L451 HydrophobicContact CG1-CD2 3.85Å; V404-L451 HydrophobicContact CG1-CG 4.35Å; V404-L451 HydrophobicContact CG2-CD2 4.38Å
405	F	92.9	Very high	89.7	Confident	7 Å²	7	66.3 Å²	66.3	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-66.3	-41.8	179.2	-173.5	-95.4	0	0	0	112.4	V401 E403 A408 I409 V422 V425 L426 L429 L444 T447	V401-F405 WeakPolarHBondContact O-CB 3.43Å; V401-F405 PolarHBondContact O-N 3.36Å; E403-F405 VanDerWaalsContact C-N 3.31Å; E403-F405 PolarHBondContact O-N 2.88Å; F405-A408 PolarHBondContact O-N 3.19Å; F405-I409 HydrophobicContact CD1-CD1 3.41Å; F405-I409 VanDerWaalsContact CD1-CD1 3.41Å; F405-I409 HydrophobicContact CD1-CG1 4.48Å; F405-I409 HydrophobicContact CD2-CD1 4.14Å; F405-I409 HydrophobicContact CE1-CD1 2.93Å; F405-I409 HydrophobicContact CE1-CG1 4.31Å; F405-I409 HydrophobicContact CE2-CD1 3.73Å; F405-I409 HydrophobicContact CG-CD1 4.01Å; F405-I409 HydrophobicContact CZ-CD1 3.13Å; F405-I409 HydrophobicContact CZ-CG1 4.46Å; F405-I409 WeakPolarHBondContact O-CB 3.44Å; F405-I409 WeakPolarHBondContact O-CG1 3.48Å; F405-I409 PolarHBondContact O-N 3.29Å; F405-V422 HydrophobicContact CZ-CG1 4.32Å; F405-V425 HydrophobicContact CE2-CG1 4.18Å; F405-L426 HydrophobicContact CB-CD1 4.19Å; F405-L426 HydrophobicContact CD1-CB 4.16Å; F405-L426 HydrophobicContact CD1-CD1 3.37Å; F405-L426 HydrophobicContact CD1-CD2 3.99Å; F405-L426 HydrophobicContact CD1-CG 4.02Å; F405-L426 HydrophobicContact CD2-CD1 4.38Å; F405-L426 HydrophobicContact CE1-CB 3.47Å; F405-L426 VanDerWaalsContact CE1-CB 3.47Å; F405-L426 HydrophobicContact CE1-CD1 3.64Å; F405-L426 HydrophobicContact CE1-CD2 3.76Å; F405-L426 HydrophobicContact CE1-CG 3.79Å; F405-L426 HydrophobicContact CE2-CB 4.44Å; F405-L426 HydrophobicContact CG-CD1 3.75Å; F405-L426 HydrophobicContact CZ-CB 3.63Å; F405-L426 HydrophobicContact CZ-CD1 4.27Å; F405-L426 HydrophobicContact CZ-CG 4.4Å; F405-L429 HydrophobicContact CD2-CD1 3.54Å; F405-L429 HydrophobicContact CE2-CD1 3.71Å; F405-L444 HydrophobicContact CE2-CD2 3.76Å; F405-L444 HydrophobicContact CZ-CD2 4.24Å; F405-T447 HydrophobicContact CD2-CG2 4.11Å
406	R	90.8	Very high	89.4	Confident	137 Å²	137	61.1 Å²	61.1	52%	0.517	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-45.5	174.9	-79.6	177	-174.6	155.8	9.6	111.8	D402 E403 A408 I409 D410	D402-R406 VanDerWaalsContact O-CB 3.27Å; D402-R406 WeakPolarHBondContact O-CB 3.42Å; D402-R406 WeakPolarHBondContact O-CG 3.29Å; D402-R406 PolarHBondContact O-N 3.11Å; D402-R406 IonicContact OD1-CZ 3.87Å; D402-R406 IonicContact OD1-NE 2.94Å; D402-R406 IonicContact OD1-NH2 3.93Å; D402-R406 PolarHBondContact OD1-NH2 3.36Å; D402-R406 IonicContact OD2-CZ 3.6Å; D402-R406 IonicContact OD2-NE 3.51Å; D402-R406 IonicContact OD2-NH1 3.41Å; D402-R406 PolarHBondContact OD2-NH1 2.69Å; D402-R406 IonicContact OD2-NH2 2.83Å; D402-R406 PolarHBondContact OD2-NH2 3.06Å; E403-R406 PolarHBondContact O-N 2.98Å; R406-A408 VanDerWaalsContact C-N 3.28Å; R406-A408 PolarHBondContact O-N 3.36Å; R406-I409 CarbonylContact O-C 3.52Å; R406-I409 PolarHBondContact O-N 2.98Å; R406-I409 VanDerWaalsContact O-N 3.17Å; R406-D410 WeakPolarHBondContact O-CB 3.46Å; R406-D410 VanDerWaalsContact O-CG 3.25Å; R406-D410 PolarHBondContact O-N 3.27Å
407	N	89.9	Confident	89.2	Confident	104 Å²	104	62.1 Å²	62.1	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-60	-40.8	177.8	-69.3	-19.1	0	0	0	111.4	E403 V404	E403-N407 WeakPolarHBondContact O-CB 3.31Å; E403-N407 PolarHBondContact O-N 3.1Å; E403-N407 PolarHBondContact O-ND2 3.14Å; V404-N407 PolarHBondContact O-N 3.36Å
408	A	87.5	Confident	89	Confident	9 Å²	9	62.8 Å²	62.8	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-45	175.4	0	0	0	0	0	112.1	V404 F405 R406 T447 L1036	V404-A408 WeakPolarHBondContact O-CB 3.36Å; V404-A408 PolarHBondContact O-N 3.2Å; F405-A408 PolarHBondContact O-N 3.19Å; R406-A408 VanDerWaalsContact C-N 3.28Å; R406-A408 PolarHBondContact O-N 3.36Å; A408-T447 HydrophobicContact CB-CG2 4.37Å; A408-T447 WeakPolarHBondContact CB-OG1 3.32Å; A408-L1036 HydrophobicContact CB-CD1 3.77Å; A408-L1036 HydrophobicContact CB-CD2 4.31Å
409	I	88.3	Confident	88.8	Confident	13 Å²	13	60.8 Å²	60.8	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-81.1	-18.1	-176.4	-72.7	172.8	0	0	0	113.3	F405 R406 G411 L412 R417 V422 L443	F405-I409 HydrophobicContact CD1-CD1 3.41Å; F405-I409 VanDerWaalsContact CD1-CD1 3.41Å; F405-I409 HydrophobicContact CD1-CG1 4.48Å; F405-I409 HydrophobicContact CD2-CD1 4.14Å; F405-I409 HydrophobicContact CE1-CD1 2.93Å; F405-I409 HydrophobicContact CE1-CG1 4.31Å; F405-I409 HydrophobicContact CE2-CD1 3.73Å; F405-I409 HydrophobicContact CG-CD1 4.01Å; F405-I409 HydrophobicContact CZ-CD1 3.13Å; F405-I409 HydrophobicContact CZ-CG1 4.46Å; F405-I409 WeakPolarHBondContact O-CB 3.44Å; F405-I409 WeakPolarHBondContact O-CG1 3.48Å; F405-I409 PolarHBondContact O-N 3.29Å; R406-I409 CarbonylContact O-C 3.52Å; R406-I409 PolarHBondContact O-N 2.98Å; R406-I409 VanDerWaalsContact O-N 3.17Å; I409-G411 PolarHBondContact O-N 3.33Å; I409-G411 VanDerWaalsContact O-N 3.11Å; I409-L412 HydrophobicContact CG1-CD1 4.4Å; I409-L412 HydrophobicContact CG2-CD1 4.42Å; I409-L412 WeakPolarHBondContact O-CA 3.28Å; I409-L412 VanDerWaalsContact O-CB 3.3Å; I409-L412 WeakPolarHBondContact O-CB 3.23Å; I409-L412 PolarHBondContact O-N 3.14Å; I409-R417 HydrophobicContact CG2-CB 4.36Å; I409-R417 HydrophobicContact CG2-CG 3.55Å; I409-R417 PolarHBondContact O-NE 3.05Å; I409-V422 HydrophobicContact CD1-CG1 3.54Å; I409-V422 HydrophobicContact CG1-CG1 4.42Å; I409-L443 HydrophobicContact CG1-CD2 4.4Å
410	D	86	Confident	88.6	Confident	92 Å²	92	57.6 Å²	57.6	49%	0.492	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.5	176.2	-85.6	-25.1	0	0	0	112.2	R406 L412 R417	R406-D410 WeakPolarHBondContact O-CB 3.46Å; R406-D410 VanDerWaalsContact O-CG 3.25Å; R406-D410 PolarHBondContact O-N 3.27Å; D410-L412 PolarHBondContact O-N 3.17Å; D410-R417 VanDerWaalsContact CA-NH2 3.35Å; D410-R417 PolarHBondContact O-NH2 2.97Å; D410-R417 IonicContact OD1-CZ 2.64Å; D410-R417 IonicContact OD1-NH1 2.96Å; D410-R417 PolarHBondContact OD1-NH1 3.36Å; D410-R417 IonicContact OD1-NH2 2.93Å
411	G	79.6	Confident	88.4	Confident	73 Å²	73	54.8 Å²	54.8	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.6	168.4	0	0	0	0	0	115.4	I409	I409-G411 PolarHBondContact O-N 3.33Å; I409-G411 VanDerWaalsContact O-N 3.11Å
412	L	84.5	Confident	88.2	Confident	11 Å²	11	55 Å²	55	6%	0.058	31%	0.311	C	S	.	.	S	Bend	trans	-94.3	150.5	-179.2	-62.5	-176.3	0	0	0	112.9	I409 D410 D416 R417 L443 I1030	I409-L412 HydrophobicContact CG1-CD1 4.4Å; I409-L412 HydrophobicContact CG2-CD1 4.42Å; I409-L412 WeakPolarHBondContact O-CA 3.28Å; I409-L412 VanDerWaalsContact O-CB 3.3Å; I409-L412 WeakPolarHBondContact O-CB 3.23Å; I409-L412 PolarHBondContact O-N 3.14Å; D410-L412 PolarHBondContact O-N 3.17Å; L412-D416 HydrophobicContact CB-CB 4.2Å; L412-R417 HydrophobicContact CB-CG 4.17Å; L412-R417 PolarHBondContact O-NE 2.94Å; L412-R417 PolarHBondContact O-NH2 3.45Å; L412-L443 HydrophobicContact CD1-CD2 3.58Å; L412-L443 HydrophobicContact CD2-CD2 3.93Å; L412-L443 HydrophobicContact CG-CD2 3.66Å; L412-I1030 HydrophobicContact CD1-CD1 4Å; L412-I1030 HydrophobicContact CD2-CB 4.21Å; L412-I1030 HydrophobicContact CD2-CD1 3.7Å; L412-I1030 HydrophobicContact CD2-CG1 3.65Å
413	S	84.6	Confident	88.1	Confident	44 Å²	44	59.9 Å²	59.9	31%	0.308	33%	0.333	S	S	.	.			trans	-65.5	153.1	173.6	80.8	0	0	0	0	111.5	E415 D416 R417	S413-E415 PolarHBondContact O-N 2.66Å; S413-D416 PolarHBondContact O-N 3.19Å; S413-D416 PolarHBondContact OG-N 3.14Å; S413-D416 PolarHBondContact OG-OD2 3.48Å; S413-R417 WeakPolarHBondContact O-CG 3.32Å; S413-R417 PolarHBondContact O-N 2.69Å
414	P	85.1	Confident	87.9	Confident	108 Å²	108	56.9 Å²	56.9	70%	0.701	33%	0.325	S	S	*	.	H	α-helix	trans	-56.1	-33.1	179.5	-26.1	34.7	0	0	0	114.5
415	E	85.3	Confident	88	Confident	119 Å²	119	55 Å²	55	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-69	-42.2	176	-65.3	-175	-173.4	0	0	111.4	S413 R417 A418 S974	S413-E415 PolarHBondContact O-N 2.66Å; E415-R417 VanDerWaalsContact C-N 3.28Å; E415-R417 PolarHBondContact O-N 2.87Å; E415-A418 WeakPolarHBondContact O-CB 3.21Å; E415-A418 PolarHBondContact O-N 3.25Å; E415-A418 VanDerWaalsContact O-N 3.13Å; E415-S974 WeakPolarHBondContact OE2-CB 3.46Å
416	D	86.4	Confident	87.9	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-69.4	-27	178.9	-62.9	-39.1	0	0	0	112.4	L412 S413 A418 L419 I1030	L412-D416 HydrophobicContact CB-CB 4.2Å; S413-D416 PolarHBondContact O-N 3.19Å; S413-D416 PolarHBondContact OG-N 3.14Å; S413-D416 PolarHBondContact OG-OD2 3.48Å; D416-A418 PolarHBondContact O-N 3.48Å; D416-L419 HydrophobicContact CB-CD1 4.2Å; D416-L419 WeakPolarHBondContact O-CB 3.41Å; D416-L419 VanDerWaalsContact O-CD1 3.27Å; D416-L419 WeakPolarHBondContact O-CD1 3.22Å; D416-L419 WeakPolarHBondContact O-CG 3.42Å; D416-L419 PolarHBondContact O-N 2.99Å; D416-I1030 HydrophobicContact CB-CD1 4.17Å
417	R	87.8	Confident	88	Confident	91 Å²	91	53 Å²	53	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-25.5	173	-63.7	-177.6	-163.3	-158.9	2.7	112.7	I409 D410 L412 S413 E415 L419	I409-R417 HydrophobicContact CG2-CB 4.36Å; I409-R417 HydrophobicContact CG2-CG 3.55Å; I409-R417 PolarHBondContact O-NE 3.05Å; D410-R417 VanDerWaalsContact CA-NH2 3.35Å; D410-R417 PolarHBondContact O-NH2 2.97Å; D410-R417 IonicContact OD1-CZ 2.64Å; D410-R417 IonicContact OD1-NH1 2.96Å; D410-R417 PolarHBondContact OD1-NH1 3.36Å; D410-R417 IonicContact OD1-NH2 2.93Å; L412-R417 HydrophobicContact CB-CG 4.17Å; L412-R417 PolarHBondContact O-NE 2.94Å; L412-R417 PolarHBondContact O-NH2 3.45Å; S413-R417 WeakPolarHBondContact O-CG 3.32Å; S413-R417 PolarHBondContact O-N 2.69Å; E415-R417 VanDerWaalsContact C-N 3.28Å; E415-R417 PolarHBondContact O-N 2.87Å; R417-L419 VanDerWaalsContact C-N 3.29Å
418	A	87.9	Confident	88.2	Confident	56 Å²	56	48.4 Å²	48.4	46%	0.463	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8	179	0	0	0	0	0	113	E415 D416	E415-A418 WeakPolarHBondContact O-CB 3.21Å; E415-A418 PolarHBondContact O-N 3.25Å; E415-A418 VanDerWaalsContact O-N 3.13Å; D416-A418 PolarHBondContact O-N 3.48Å
419	L	90.2	Very high	88.5	Confident	1 Å²	1	48 Å²	48	1%	0.005	29%	0.289	C	S	.	.			trans	-63.2	138.9	175.9	-70.4	167.5	0	0	0	110.6	D416 R417 Q421 V422 E423 L441 F975 A976 I1030	D416-L419 HydrophobicContact CB-CD1 4.2Å; D416-L419 WeakPolarHBondContact O-CB 3.41Å; D416-L419 VanDerWaalsContact O-CD1 3.27Å; D416-L419 WeakPolarHBondContact O-CD1 3.22Å; D416-L419 WeakPolarHBondContact O-CG 3.42Å; D416-L419 PolarHBondContact O-N 2.99Å; R417-L419 VanDerWaalsContact C-N 3.29Å; L419-Q421 VanDerWaalsContact C-N 3.25Å; L419-Q421 PolarHBondContact O-N 2.9Å; L419-Q421 VanDerWaalsContact O-N 3.16Å; L419-V422 HydrophobicContact CB-CB 4.41Å; L419-V422 HydrophobicContact CB-CG2 4.03Å; L419-V422 PolarHBondContact O-N 3.08Å; L419-E423 PolarHBondContact O-N 3.49Å; L419-E423 VanDerWaalsContact O-N 3.08Å; L419-L441 HydrophobicContact CD1-CD1 4.17Å; L419-F975 HydrophobicContact CD1-CD1 3.68Å; L419-F975 HydrophobicContact CD1-CE1 3.93Å; L419-F975 HydrophobicContact CD2-CD1 3.96Å; L419-F975 HydrophobicContact CD2-CE1 4.42Å; L419-F975 HydrophobicContact CG-CD1 4.47Å; L419-A976 HydrophobicContact CD2-CB 3.97Å; L419-I1030 HydrophobicContact CD1-CD1 4.02Å
420	P	88.4	Confident	88.8	Confident	89 Å²	89	50.3 Å²	50.3	58%	0.578	30%	0.299	S	S	*	.	H	α-helix	trans	-54.3	-39.4	-177.8	-27.2	34.8	0	0	0	113.7	S424	P420-S424 WeakPolarHBondContact O-CB 3.29Å; P420-S424 PolarHBondContact O-N 3.49Å; P420-S424 PolarHBondContact O-OG 3.5Å
421	Q	89.9	Confident	89.1	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.028	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-37.5	177.2	-166.8	-179.9	88.6	0	0	112.6	L419 S424 V425 G439 L440 L444 E986	L419-Q421 VanDerWaalsContact C-N 3.25Å; L419-Q421 PolarHBondContact O-N 2.9Å; L419-Q421 VanDerWaalsContact O-N 3.16Å; Q421-S424 WeakPolarHBondContact CA-OG 3.37Å; Q421-S424 PolarHBondContact O-OG 2.9Å; Q421-V425 HydrophobicContact CG-CG2 4.37Å; Q421-V425 WeakPolarHBondContact O-CB 3.39Å; Q421-V425 WeakPolarHBondContact O-CG2 3.38Å; Q421-V425 PolarHBondContact O-N 3.03Å; Q421-G439 PolarHBondContact NE2-O 3.26Å; Q421-L440 HydrophobicContact CG-CD2 4.01Å; Q421-L444 HydrophobicContact CG-CD1 3.96Å; Q421-E986 WeakPolarHBondContact CB-OE1 3.4Å; Q421-E986 PolarHBondContact NE2-OE2 3.37Å; Q421-E986 VanDerWaalsContact NE2-OE2 3.08Å
422	V	89.7	Confident	89.8	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-46.1	178.7	178.3	0	0	0	0	110.8	F405 I409 L419 L441 L444	F405-V422 HydrophobicContact CZ-CG1 4.32Å; I409-V422 HydrophobicContact CD1-CG1 3.54Å; I409-V422 HydrophobicContact CG1-CG1 4.42Å; L419-V422 HydrophobicContact CB-CB 4.41Å; L419-V422 HydrophobicContact CB-CG2 4.03Å; L419-V422 PolarHBondContact O-N 3.08Å; V422-L441 HydrophobicContact CG2-CD1 3.63Å; V422-L444 HydrophobicContact CG2-CD1 4.12Å
423	E	90.4	Very high	90.3	Very high	123 Å²	123	46.6 Å²	46.6	58%	0.575	25%	0.254	S	S	*	.	H	α-helix	trans	-67.6	-36.7	180	-66.1	-167.8	154.5	0	0	112.8	L419 P427	L419-E423 PolarHBondContact O-N 3.49Å; L419-E423 VanDerWaalsContact O-N 3.08Å; E423-P427 WeakPolarHBondContact O-CD 3.2Å
424	S	89.3	Confident	90.8	Very high	56 Å²	56	44.6 Å²	44.6	39%	0.392	24%	0.24	S	C	.	.	H	α-helix	trans	-77.2	-28	-178	60.3	0	0	0	0	113.8	P420 Q421 P427	P420-S424 WeakPolarHBondContact O-CB 3.29Å; P420-S424 PolarHBondContact O-N 3.49Å; P420-S424 PolarHBondContact O-OG 3.5Å; Q421-S424 WeakPolarHBondContact CA-OG 3.37Å; Q421-S424 PolarHBondContact O-OG 2.9Å; S424-P427 WeakPolarHBondContact O-CD 3.43Å
425	V	92.6	Very high	91.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-76.5	-39	-178.2	166.9	0	0	0	0	112.2	F405 Q421 L428 L429 L444 I448	F405-V425 HydrophobicContact CE2-CG1 4.18Å; Q421-V425 HydrophobicContact CG-CG2 4.37Å; Q421-V425 WeakPolarHBondContact O-CB 3.39Å; Q421-V425 WeakPolarHBondContact O-CG2 3.38Å; Q421-V425 PolarHBondContact O-N 3.03Å; V425-L428 WeakPolarHBondContact O-CB 3.26Å; V425-L428 PolarHBondContact O-N 3.35Å; V425-L429 HydrophobicContact CG1-CD1 3.53Å; V425-L429 HydrophobicContact CG1-CD2 4.38Å; V425-L429 HydrophobicContact CG1-CG 3.74Å; V425-L429 WeakPolarHBondContact O-CG 3.2Å; V425-L429 PolarHBondContact O-N 3.42Å; V425-L444 HydrophobicContact CG2-CD1 4.39Å; V425-I448 HydrophobicContact CG1-CD1 4.23Å
426	L	91.4	Very high	91.7	Very high	39 Å²	39	34.2 Å²	34.2	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-47.6	-177.2	-179.7	55.1	0	0	0	114	F405 L428 L429 K430	F405-L426 HydrophobicContact CB-CD1 4.19Å; F405-L426 HydrophobicContact CD1-CB 4.16Å; F405-L426 HydrophobicContact CD1-CD1 3.37Å; F405-L426 HydrophobicContact CD1-CD2 3.99Å; F405-L426 HydrophobicContact CD1-CG 4.02Å; F405-L426 HydrophobicContact CD2-CD1 4.38Å; F405-L426 HydrophobicContact CE1-CB 3.47Å; F405-L426 VanDerWaalsContact CE1-CB 3.47Å; F405-L426 HydrophobicContact CE1-CD1 3.64Å; F405-L426 HydrophobicContact CE1-CD2 3.76Å; F405-L426 HydrophobicContact CE1-CG 3.79Å; F405-L426 HydrophobicContact CE2-CB 4.44Å; F405-L426 HydrophobicContact CG-CD1 3.75Å; F405-L426 HydrophobicContact CZ-CB 3.63Å; F405-L426 HydrophobicContact CZ-CD1 4.27Å; F405-L426 HydrophobicContact CZ-CG 4.4Å; L426-L428 PolarHBondContact O-N 2.87Å; L426-L429 PolarHBondContact O-N 2.94Å; L426-K430 HydrophobicContact CD1-CD 4.26Å; L426-K430 HydrophobicContact CD1-CG 4.1Å; L426-K430 HydrophobicContact CG-CD 4.4Å; L426-K430 WeakPolarHBondContact O-CG 3.32Å; L426-K430 PolarHBondContact O-N 3.36Å
427	P	92.4	Very high	92	Very high	64 Å²	64	33.9 Å²	33.9	42%	0.416	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-30.2	176.9	-23.9	34.6	0	0	0	113.7	E423 S424 R431	E423-P427 WeakPolarHBondContact O-CD 3.2Å; S424-P427 WeakPolarHBondContact O-CD 3.43Å; P427-R431 WeakPolarHBondContact O-CG 3.39Å
428	L	94.2	Very high	92.1	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-74.1	-45.7	177.1	-62.5	174.5	0	0	0	110.9	A384 A388 V425 L426 K430 R431 G432 I433 I435	A384-L428 HydrophobicContact CB-CD1 4.18Å; A388-L428 HydrophobicContact CB-CD2 3.6Å; V425-L428 WeakPolarHBondContact O-CB 3.26Å; V425-L428 PolarHBondContact O-N 3.35Å; L426-L428 PolarHBondContact O-N 2.87Å; L428-K430 VanDerWaalsContact C-N 3.34Å; L428-K430 PolarHBondContact O-N 3.48Å; L428-R431 CarbonylContact O-C 3.55Å; L428-R431 WeakPolarHBondContact O-CA 3.18Å; L428-R431 WeakPolarHBondContact O-CB 3.36Å; L428-R431 PolarHBondContact O-N 3.26Å; L428-G432 PolarHBondContact O-N 2.97Å; L428-I433 CarbonylContact C-O 3.5Å; L428-I433 HydrophobicContact CB-CB 4.32Å; L428-I433 PolarHBondContact O-N 3.13Å; L428-I433 VanDerWaalsContact O-O 3.14Å; L428-I435 HydrophobicContact CD1-CD1 3.68Å
429	L	94.6	Very high	92.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-40.8	178.1	-63.2	178.3	0	0	0	111.9	V401 F405 V425 L426 R431 G432 I433 I448 L451 I457	V401-L429 HydrophobicContact CG1-CB 3.76Å; F405-L429 HydrophobicContact CD2-CD1 3.54Å; F405-L429 HydrophobicContact CE2-CD1 3.71Å; V425-L429 HydrophobicContact CG1-CD1 3.53Å; V425-L429 HydrophobicContact CG1-CD2 4.38Å; V425-L429 HydrophobicContact CG1-CG 3.74Å; V425-L429 WeakPolarHBondContact O-CG 3.2Å; V425-L429 PolarHBondContact O-N 3.42Å; L426-L429 PolarHBondContact O-N 2.94Å; L429-R431 PolarHBondContact O-N 2.96Å; L429-G432 PolarHBondContact O-N 2.87Å; L429-I433 PolarHBondContact N-O 3.18Å; L429-I448 HydrophobicContact CD1-CG1 4.38Å; L429-I448 HydrophobicContact CD2-CD1 4.39Å; L429-I448 HydrophobicContact CD2-CG1 3.86Å; L429-L451 HydrophobicContact CB-CD1 4.48Å; L429-L451 HydrophobicContact CD1-CD1 3.89Å; L429-L451 HydrophobicContact CD2-CD1 4.23Å; L429-L451 HydrophobicContact CG-CD1 4.43Å; L429-I457 HydrophobicContact CD2-CD1 3.93Å; L429-I457 HydrophobicContact CD2-CG1 4.42Å
430	K	93.6	Very high	92.3	Very high	61 Å²	61	27.7 Å²	27.7	27%	0.265	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.8	172.4	-75.6	-174.4	-177.9	-174.1	0	114.4	T393 K398 D402 L426 L428	T393-K430 PolarHBondContact OG1-O 2.87Å; K398-K430 WeakPolarHBondContact CE-O 3.49Å; K398-K430 VanDerWaalsContact CG-O 3.25Å; K398-K430 WeakPolarHBondContact CG-O 3.35Å; D402-K430 VanDerWaalsContact CG-CE 3.44Å; D402-K430 VanDerWaalsContact CG-NZ 3.26Å; D402-K430 WeakPolarHBondContact OD1-CE 3.2Å; D402-K430 IonicContact OD1-NZ 3.55Å; D402-K430 PolarHBondContact OD1-NZ 3.12Å; D402-K430 IonicContact OD2-NZ 3.65Å; D402-K430 PolarHBondContact OD2-NZ 2.98Å; L426-K430 HydrophobicContact CD1-CD 4.26Å; L426-K430 HydrophobicContact CD1-CG 4.1Å; L426-K430 HydrophobicContact CG-CD 4.4Å; L426-K430 WeakPolarHBondContact O-CG 3.32Å; L426-K430 PolarHBondContact O-N 3.36Å; L428-K430 VanDerWaalsContact C-N 3.34Å; L428-K430 PolarHBondContact O-N 3.48Å
431	R	93.3	Very high	92.5	Very high	98 Å²	98	23.5 Å²	23.5	37%	0.37	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	3.7	174.3	-70.3	178	171.3	154.8	2.5	111.8	A388 F390 F392 P427 L428 L429 I433	A388-R431 WeakPolarHBondContact O-CD 3.32Å; A388-R431 PolarHBondContact O-NE 3.48Å; A388-R431 PolarHBondContact O-NH1 3.34Å; F390-R431 WeakPolarHBondContact O-CB 3.39Å; F392-R431 WeakPolarHBondContact CB-O 3.28Å; F392-R431 WeakPolarHBondContact CD2-O 3.49Å; F392-R431 PolarHBondContact N-O 3.21Å; P427-R431 WeakPolarHBondContact O-CG 3.39Å; L428-R431 CarbonylContact O-C 3.55Å; L428-R431 WeakPolarHBondContact O-CA 3.18Å; L428-R431 WeakPolarHBondContact O-CB 3.36Å; L428-R431 PolarHBondContact O-N 3.26Å; L429-R431 PolarHBondContact O-N 2.96Å; R431-I433 HydrophobicContact CB-CD1 4.26Å; R431-I433 HydrophobicContact CB-CG1 4.49Å
432	G	94	Very high	92.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	20.3	-176.2	0	0	0	0	0	114.1	T393 L428 L429 K458 C459	T393-G432 VanDerWaalsContact CG2-CA 3.47Å; L428-G432 PolarHBondContact O-N 2.97Å; L429-G432 PolarHBondContact O-N 2.87Å; G432-K458 PolarHBondContact O-N 3.21Å; G432-C459 PolarHBondContact O-N 3.3Å
433	I	95.3	Very high	92.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.6	179.4	-56.6	165.6	0	0	0	108.6	A384 L387 F392 L428 L429 R431 C459 F461	A384-I433 HydrophobicContact CB-CG2 4.08Å; L387-I433 HydrophobicContact CB-CD1 3.84Å; L387-I433 VanDerWaalsContact O-CD1 3.31Å; L387-I433 WeakPolarHBondContact O-CD1 3.34Å; F392-I433 HydrophobicContact CD2-CD1 4.28Å; F392-I433 HydrophobicContact CD2-CG1 3.88Å; F392-I433 HydrophobicContact CE2-CD1 4.01Å; F392-I433 HydrophobicContact CE2-CG1 3.88Å; L428-I433 CarbonylContact C-O 3.5Å; L428-I433 HydrophobicContact CB-CB 4.32Å; L428-I433 PolarHBondContact O-N 3.13Å; L428-I433 VanDerWaalsContact O-O 3.14Å; L429-I433 PolarHBondContact N-O 3.18Å; R431-I433 HydrophobicContact CB-CD1 4.26Å; R431-I433 HydrophobicContact CB-CG1 4.49Å; I433-C459 CarbonylContact C-O 3.54Å; I433-C459 WeakPolarHBondContact CA-O 3.44Å; I433-F461 HydrophobicContact CG2-CD2 4.13Å; I433-F461 HydrophobicContact CG2-CE2 3.97Å
434	G	95.1	Very high	92.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	157.1	176.1	0	0	0	0	0	112.3	C459 F461	G434-C459 PolarHBondContact N-O 2.9Å; G434-F461 PolarHBondContact O-N 3.03Å
435	I	95.5	Very high	92.5	Very high	9 Å²	9	19 Å²	19	5%	0.046	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.5	172.6	-59.6	165.4	0	0	0	107.6	C380 E381 A384 L428 H437 L440 I448 F461	C380-I435 HydrophobicContact CB-CG2 4.13Å; E381-I435 HydrophobicContact CG-CD1 4.32Å; E381-I435 HydrophobicContact CG-CG2 4.35Å; A384-I435 HydrophobicContact CB-CD1 3.51Å; A384-I435 HydrophobicContact CB-CG1 3.43Å; A384-I435 VanDerWaalsContact CB-CG1 3.43Å; L428-I435 HydrophobicContact CD1-CD1 3.68Å; I435-H437 WeakPolarHBondContact CG2-CD2 3.36Å; I435-H437 WeakPolarHBondContact CG2-NE2 3.08Å; I435-L440 HydrophobicContact CB-CD1 4.4Å; I435-L440 HydrophobicContact CG2-CD1 4.25Å; I435-L440 WeakPolarHBondContact O-CD1 3.36Å; I435-I448 WeakPolarHBondContact O-CD1 3.23Å; I435-F461 CarbonylContact C-O 3.49Å; I435-F461 WeakPolarHBondContact CA-O 3.3Å
436	H	94.2	Very high	92.3	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	105.5	-180	-169	-70.8	0	0	0	112.2	K445 E449 L460 F461 A462 T463 F466	H436-K445 WeakPolarHBondContact CE1-CE 3.48Å; H436-K445 WeakPolarHBondContact NE2-CE 3.32Å; H436-K445 WeakPolarHBondContact NE2-CG 3.5Å; H436-E449 IonicContact CD2-OE1 2.74Å; H436-E449 IonicContact CE1-OE1 2.68Å; H436-E449 IonicContact NE2-OE1 2.77Å; H436-E449 PolarHBondContact NE2-OE1 2.68Å; H436-L460 HydrophobicContact CB-CD1 4.09Å; H436-F461 PolarHBondContact N-O 3.43Å; H436-A462 HydrophobicContact CB-CB 4.1Å; H436-A462 CarbonylContact O-C 3.57Å; H436-A462 VanDerWaalsContact O-CA 3.24Å; H436-A462 WeakPolarHBondContact O-CA 3.44Å; H436-T463 PolarHBondContact O-N 3.46Å; H436-F466 HydrophobicContact CB-CD2 4.33Å; H436-F466 AromaticContact CD2-CD2 3.62Å; H436-F466 AromaticContact CE1-CD2 3.65Å; H436-F466 AromaticContact CG-CD2 3.66Å; H436-F466 AromaticContact ND1-CD2 3.73Å; H436-F466 AromaticContact NE2-CD2 3.61Å
437	H	93.1	Very high	92.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-153.5	166.7	173.2	55.8	89.8	0	0	0	111.2	K377 E381 I435 G439 L440 T463	K377-H437 HydrophobicContact CB-CB 4.41Å; K377-H437 HydrophobicContact CG-CB 4.12Å; E381-H437 IonicContact OE1-CE1 2.63Å; E381-H437 IonicContact OE1-NE2 3.08Å; E381-H437 PolarHBondContact OE1-NE2 3.39Å; I435-H437 WeakPolarHBondContact CG2-CD2 3.36Å; I435-H437 WeakPolarHBondContact CG2-NE2 3.08Å; H437-G439 VanDerWaalsContact ND1-CA 3.35Å; H437-G439 WeakPolarHBondContact ND1-CA 3.16Å; H437-G439 PolarHBondContact ND1-N 3.29Å; H437-G439 PolarHBondContact O-N 3.47Å; H437-L440 PolarHBondContact O-N 3.02Å; H437-L440 VanDerWaalsContact O-N 3.13Å; H437-T463 HydrophobicContact CB-CG2 3.61Å
438	G	88.1	Confident	92.5	Very high	14 Å²	14	15.2 Å²	15.2	14%	0.144	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	1.3	178	0	0	0	0	0	115.8	R991	G438-R991 VanDerWaalsContact O-CZ 3.25Å; G438-R991 PolarHBondContact O-NH1 3.42Å; G438-R991 PolarHBondContact O-NH2 3.01Å
439	G	90.9	Very high	92.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-13.6	173	0	0	0	0	0	113.3	Q421 H437 F985 G987	Q421-G439 PolarHBondContact NE2-O 3.26Å; H437-G439 VanDerWaalsContact ND1-CA 3.35Å; H437-G439 WeakPolarHBondContact ND1-CA 3.16Å; H437-G439 PolarHBondContact ND1-N 3.29Å; H437-G439 PolarHBondContact O-N 3.47Å; G439-F985 WeakPolarHBondContact O-CB 3.35Å; G439-G987 VanDerWaalsContact O-CA 3.26Å; G439-G987 WeakPolarHBondContact O-CA 3.46Å; G439-G987 PolarHBondContact O-N 3.28Å
440	L	92.7	Very high	92.1	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	8%	0.08	C	C	.	.	S	Bend	trans	-75.7	148.3	179.2	-62.4	179.2	0	0	0	111.7	Q421 I435 H437 K445 I448 G987	Q421-L440 HydrophobicContact CG-CD2 4.01Å; I435-L440 HydrophobicContact CB-CD1 4.4Å; I435-L440 HydrophobicContact CG2-CD1 4.25Å; I435-L440 WeakPolarHBondContact O-CD1 3.36Å; H437-L440 PolarHBondContact O-N 3.02Å; H437-L440 VanDerWaalsContact O-N 3.13Å; L440-K445 HydrophobicContact CB-CB 4.48Å; L440-I448 HydrophobicContact CD1-CD1 4.05Å; L440-G987 WeakPolarHBondContact O-CA 3.27Å
441	L	91.4	Very high	92.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.			trans	-50.1	133.8	166.1	-68.6	171.3	0	0	0	109.2	L419 V422 L443 L444 K445 F975 E986 I990 I1030	L419-L441 HydrophobicContact CD1-CD1 4.17Å; V422-L441 HydrophobicContact CG2-CD1 3.63Å; L441-L443 PolarHBondContact O-N 3.24Å; L441-L444 HydrophobicContact CB-CB 4.22Å; L441-L444 HydrophobicContact CB-CD1 4.16Å; L441-L444 HydrophobicContact CB-CG 4.03Å; L441-L444 HydrophobicContact CD1-CD1 3.89Å; L441-L444 HydrophobicContact CD1-CG 4.21Å; L441-L444 HydrophobicContact CG-CD1 4.38Å; L441-L444 PolarHBondContact O-N 3.2Å; L441-K445 PolarHBondContact O-N 3.12Å; L441-F975 HydrophobicContact CD2-CE1 4.14Å; L441-F975 HydrophobicContact CD2-CZ 4.46Å; L441-E986 HydrophobicContact CD2-CB 3.82Å; L441-E986 HydrophobicContact CG-CB 4.22Å; L441-I990 HydrophobicContact CD2-CD1 3.26Å; L441-I990 HydrophobicContact CD2-CG1 4.29Å; L441-I1030 HydrophobicContact CD1-CD1 3.99Å; L441-I1030 HydrophobicContact CD2-CD1 3.89Å
442	P	88.1	Confident	92.1	Very high	29 Å²	29	9.5 Å²	9.5	19%	0.188	5%	0.052	C	C	.	.	H	α-helix	trans	-51.7	-43.4	179.2	-29.5	36.2	0	0	0	113.1	L444 K445 E446 I990	P442-L444 PolarHBondContact O-N 2.96Å; P442-K445 WeakPolarHBondContact O-CB 3.46Å; P442-K445 PolarHBondContact O-N 3.26Å; P442-E446 VanDerWaalsContact O-CG 3.31Å; P442-E446 WeakPolarHBondContact O-CG 3.36Å; P442-E446 PolarHBondContact O-N 3.2Å; P442-I990 HydrophobicContact CG-CG2 3.84Å
443	L	89.3	Confident	91.8	Very high	14 Å²	14	12.4 Å²	12.4	7%	0.073	7%	0.072	C	C	.	.	H	α-helix	trans	-56.7	-46.2	176	-175.2	79.7	0	0	0	112.9	I409 L412 L441 T447 L1036	I409-L443 HydrophobicContact CG1-CD2 4.4Å; L412-L443 HydrophobicContact CD1-CD2 3.58Å; L412-L443 HydrophobicContact CD2-CD2 3.93Å; L412-L443 HydrophobicContact CG-CD2 3.66Å; L441-L443 PolarHBondContact O-N 3.24Å; L443-T447 WeakPolarHBondContact O-CB 3.32Å; L443-T447 PolarHBondContact O-N 3.14Å; L443-T447 PolarHBondContact O-OG1 3.17Å; L443-L1036 HydrophobicContact CD1-CD1 3.7Å; L443-L1036 HydrophobicContact CD1-CD2 3.81Å; L443-L1036 HydrophobicContact CD1-CG 3.69Å; L443-L1036 HydrophobicContact CG-CD1 4.31Å
444	L	92.1	Very high	91.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-68.4	-40.4	179.2	-67.8	-177.2	0	0	0	111	F405 Q421 V422 V425 L441 P442 E446 T447 I448	F405-L444 HydrophobicContact CE2-CD2 3.76Å; F405-L444 HydrophobicContact CZ-CD2 4.24Å; Q421-L444 HydrophobicContact CG-CD1 3.96Å; V422-L444 HydrophobicContact CG2-CD1 4.12Å; V425-L444 HydrophobicContact CG2-CD1 4.39Å; L441-L444 HydrophobicContact CB-CB 4.22Å; L441-L444 HydrophobicContact CB-CD1 4.16Å; L441-L444 HydrophobicContact CB-CG 4.03Å; L441-L444 HydrophobicContact CD1-CD1 3.89Å; L441-L444 HydrophobicContact CD1-CG 4.21Å; L441-L444 HydrophobicContact CG-CD1 4.38Å; L441-L444 PolarHBondContact O-N 3.2Å; P442-L444 PolarHBondContact O-N 2.96Å; L444-E446 VanDerWaalsContact C-N 3.35Å; L444-E446 PolarHBondContact O-N 3.4Å; L444-T447 PolarHBondContact O-N 3.38Å; L444-I448 WeakPolarHBondContact O-CB 3.49Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.95Å
445	K	90.5	Very high	91.3	Very high	53 Å²	53	20.8 Å²	20.8	23%	0.23	11%	0.113	C	C	.	.	H	α-helix	trans	-57.5	-49	176.2	-169.8	-168.1	175.8	-160.7	0	110.8	H436 L440 L441 P442 I448 E449	H436-K445 WeakPolarHBondContact CE1-CE 3.48Å; H436-K445 WeakPolarHBondContact NE2-CE 3.32Å; H436-K445 WeakPolarHBondContact NE2-CG 3.5Å; L440-K445 HydrophobicContact CB-CB 4.48Å; L441-K445 PolarHBondContact O-N 3.12Å; P442-K445 WeakPolarHBondContact O-CB 3.46Å; P442-K445 PolarHBondContact O-N 3.26Å; K445-I448 PolarHBondContact O-N 3.17Å; K445-E449 VanDerWaalsContact CE-OE1 3.28Å; K445-E449 WeakPolarHBondContact CE-OE1 3.34Å; K445-E449 IonicContact NZ-OE1 3.36Å; K445-E449 VanDerWaalsContact O-CG 3.25Å; K445-E449 WeakPolarHBondContact O-CG 3.19Å; K445-E449 PolarHBondContact O-N 2.96Å
446	E	89.7	Confident	91.2	Very high	24 Å²	24	21.3 Å²	21.3	11%	0.112	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-41.4	177.3	-66.8	172.2	-174	0	0	111.8	P442 L444 I448 E449 I450 S1035 L1036 Y1037	P442-E446 VanDerWaalsContact O-CG 3.31Å; P442-E446 WeakPolarHBondContact O-CG 3.36Å; P442-E446 PolarHBondContact O-N 3.2Å; L444-E446 VanDerWaalsContact C-N 3.35Å; L444-E446 PolarHBondContact O-N 3.4Å; E446-I448 VanDerWaalsContact C-N 3.31Å; E446-I448 PolarHBondContact O-N 3.45Å; E446-E449 WeakPolarHBondContact O-CB 3.4Å; E446-E449 PolarHBondContact O-N 3.27Å; E446-I450 VanDerWaalsContact O-CG1 3.3Å; E446-I450 WeakPolarHBondContact O-CG1 3.49Å; E446-I450 PolarHBondContact O-N 3.3Å; E446-S1035 WeakPolarHBondContact OE1-CB 3.2Å; E446-S1035 VanDerWaalsContact OE2-CA 3.25Å; E446-S1035 WeakPolarHBondContact OE2-CA 3.49Å; E446-L1036 HydrophobicContact CB-CB 4.36Å; E446-L1036 HydrophobicContact CB-CD1 4.21Å; E446-L1036 PolarHBondContact OE2-N 3.39Å; E446-Y1037 HydrophobicContact CB-CD2 4.31Å; E446-Y1037 HydrophobicContact CB-CE2 4.04Å; E446-Y1037 HydrophobicContact CG-CD2 3.9Å; E446-Y1037 HydrophobicContact CG-CE2 3.77Å
447	T	92.3	Very high	91.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-44.8	175	-57.1	0	0	0	0	111.1	F405 A408 L443 L444 I450 L451 L1036	F405-T447 HydrophobicContact CD2-CG2 4.11Å; A408-T447 HydrophobicContact CB-CG2 4.37Å; A408-T447 WeakPolarHBondContact CB-OG1 3.32Å; L443-T447 WeakPolarHBondContact O-CB 3.32Å; L443-T447 PolarHBondContact O-N 3.14Å; L443-T447 PolarHBondContact O-OG1 3.17Å; L444-T447 PolarHBondContact O-N 3.38Å; T447-I450 PolarHBondContact O-N 2.94Å; T447-L451 HydrophobicContact CG2-CD1 4.06Å; T447-L451 HydrophobicContact CG2-CG 4.42Å; T447-L451 WeakPolarHBondContact O-CB 3.45Å; T447-L451 WeakPolarHBondContact O-CG 3.47Å; T447-L451 PolarHBondContact O-N 3.4Å; T447-L1036 WeakPolarHBondContact OG1-CD1 3.3Å
448	I	93.7	Very high	91.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-40.9	179.3	-70.5	172.2	0	0	0	111	V425 L429 I435 L440 L444 K445 E446 L451 F452 I457 L460	V425-I448 HydrophobicContact CG1-CD1 4.23Å; L429-I448 HydrophobicContact CD1-CG1 4.38Å; L429-I448 HydrophobicContact CD2-CD1 4.39Å; L429-I448 HydrophobicContact CD2-CG1 3.86Å; I435-I448 WeakPolarHBondContact O-CD1 3.23Å; L440-I448 HydrophobicContact CD1-CD1 4.05Å; L444-I448 WeakPolarHBondContact O-CB 3.49Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.95Å; K445-I448 PolarHBondContact O-N 3.17Å; E446-I448 VanDerWaalsContact C-N 3.31Å; E446-I448 PolarHBondContact O-N 3.45Å; I448-L451 PolarHBondContact O-N 3.48Å; I448-F452 VanDerWaalsContact O-CB 3.32Å; I448-F452 WeakPolarHBondContact O-CB 3.46Å; I448-F452 PolarHBondContact O-N 2.86Å; I448-I457 HydrophobicContact CB-CD1 4.36Å; I448-I457 HydrophobicContact CG2-CD1 3.74Å; I448-I457 WeakPolarHBondContact O-CD1 3.25Å; I448-L460 HydrophobicContact CG2-CD1 3.66Å
449	E	91.1	Very high	91.6	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-46.5	175.1	-74	170.6	-168	0	0	111.8	H436 K445 E446 F452 S453 L470 M472 Y1037	H436-E449 IonicContact CD2-OE1 2.74Å; H436-E449 IonicContact CE1-OE1 2.68Å; H436-E449 IonicContact NE2-OE1 2.77Å; H436-E449 PolarHBondContact NE2-OE1 2.68Å; K445-E449 VanDerWaalsContact CE-OE1 3.28Å; K445-E449 WeakPolarHBondContact CE-OE1 3.34Å; K445-E449 IonicContact NZ-OE1 3.36Å; K445-E449 VanDerWaalsContact O-CG 3.25Å; K445-E449 WeakPolarHBondContact O-CG 3.19Å; K445-E449 PolarHBondContact O-N 2.96Å; E446-E449 WeakPolarHBondContact O-CB 3.4Å; E446-E449 PolarHBondContact O-N 3.27Å; E449-F452 PolarHBondContact O-N 3.25Å; E449-S453 PolarHBondContact O-N 3.34Å; E449-L470 HydrophobicContact CG-CD1 4.1Å; E449-M472 HydrophobicContact CB-CE 3.57Å; E449-M472 HydrophobicContact CB-SD 4.26Å; E449-M472 HydrophobicContact CG-CE 4.05Å; E449-M472 HydrophobicContact CG-SD 4.37Å; E449-Y1037 WeakPolarHBondContact CB-OH 3.49Å; E449-Y1037 VanDerWaalsContact OE2-CE2 3.24Å; E449-Y1037 WeakPolarHBondContact OE2-CE2 3.42Å; E449-Y1037 PolarHBondContact OE2-OH 2.62Å
450	I	90.1	Very high	91.8	Very high	37 Å²	37	22.3 Å²	22.3	19%	0.19	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.7	-66.6	164.3	0	0	0	110.9	E446 T447 F452 S453 E454 L1036 Y1037	E446-I450 VanDerWaalsContact O-CG1 3.3Å; E446-I450 WeakPolarHBondContact O-CG1 3.49Å; E446-I450 PolarHBondContact O-N 3.3Å; T447-I450 PolarHBondContact O-N 2.94Å; I450-F452 PolarHBondContact O-N 2.82Å; I450-S453 PolarHBondContact O-N 3.29Å; I450-S453 PolarHBondContact O-OG 2.8Å; I450-E454 WeakPolarHBondContact O-CG 3.16Å; I450-E454 PolarHBondContact O-N 3.47Å; I450-E454 VanDerWaalsContact O-N 3.11Å; I450-L1036 HydrophobicContact CD1-CB 4.03Å; I450-Y1037 HydrophobicContact CG1-CE1 4.29Å
451	L	93.7	Very high	92	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-31.7	178.3	-69.2	175.5	0	0	0	112.1	V401 V404 L429 T447 I448 L456 I457	V401-L451 HydrophobicContact CG1-CD1 4.09Å; V401-L451 HydrophobicContact CG2-CD2 4.17Å; V404-L451 HydrophobicContact CB-CD2 3.98Å; V404-L451 HydrophobicContact CG1-CD2 3.85Å; V404-L451 HydrophobicContact CG1-CG 4.35Å; V404-L451 HydrophobicContact CG2-CD2 4.38Å; L429-L451 HydrophobicContact CB-CD1 4.48Å; L429-L451 HydrophobicContact CD1-CD1 3.89Å; L429-L451 HydrophobicContact CD2-CD1 4.23Å; L429-L451 HydrophobicContact CG-CD1 4.43Å; T447-L451 HydrophobicContact CG2-CD1 4.06Å; T447-L451 HydrophobicContact CG2-CG 4.42Å; T447-L451 WeakPolarHBondContact O-CB 3.45Å; T447-L451 WeakPolarHBondContact O-CG 3.47Å; T447-L451 PolarHBondContact O-N 3.4Å; I448-L451 PolarHBondContact O-N 3.48Å; L451-L456 HydrophobicContact CB-CB 4.48Å; L451-L456 HydrophobicContact CD2-CB 4.38Å; L451-L456 HydrophobicContact CD2-CD1 3.59Å; L451-L456 WeakPolarHBondContact O-CB 3.49Å; L451-L456 PolarHBondContact O-N 2.86Å; L451-I457 HydrophobicContact CB-CD1 3.72Å; L451-I457 HydrophobicContact CB-CG1 3.87Å; L451-I457 PolarHBondContact O-N 2.86Å
452	F	93	Very high	92.1	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-72.9	-41.8	175.6	-169.2	-97.9	0	0	0	112	P369 I371 I448 E449 I450 E454 N455 I457 L460 F466 M472 A474	P369-F452 HydrophobicContact CB-CE2 4.32Å; I371-F452 HydrophobicContact CD1-CE1 4.31Å; I371-F452 HydrophobicContact CD1-CZ 3.95Å; I371-F452 HydrophobicContact CG1-CE1 4.48Å; I371-F452 HydrophobicContact CG1-CE2 4.26Å; I371-F452 HydrophobicContact CG1-CZ 3.71Å; I448-F452 VanDerWaalsContact O-CB 3.32Å; I448-F452 WeakPolarHBondContact O-CB 3.46Å; I448-F452 PolarHBondContact O-N 2.86Å; E449-F452 PolarHBondContact O-N 3.25Å; I450-F452 PolarHBondContact O-N 2.82Å; F452-E454 VanDerWaalsContact C-N 3.27Å; F452-E454 PolarHBondContact O-N 2.79Å; F452-N455 PolarHBondContact O-N 3.16Å; F452-I457 HydrophobicContact CB-CB 4.42Å; F452-I457 HydrophobicContact CB-CD1 4.34Å; F452-I457 HydrophobicContact CD2-CB 3.92Å; F452-I457 HydrophobicContact CD2-CG2 3.91Å; F452-L460 HydrophobicContact CD2-CB 4.01Å; F452-L460 HydrophobicContact CD2-CD2 3.97Å; F452-L460 HydrophobicContact CD2-CG 4.47Å; F452-L460 HydrophobicContact CE2-CB 3.87Å; F452-L460 HydrophobicContact CE2-CD2 4.11Å; F452-L460 HydrophobicContact CG-CD2 4.21Å; F452-L460 HydrophobicContact CZ-CD2 4.47Å; F452-F466 AromaticContact CD1-CZ 3.9Å; F452-F466 HydrophobicContact CD1-CZ 3.9Å; F452-F466 HydrophobicContact CE1-CE1 4.37Å; F452-F466 HydrophobicContact CE1-CZ 4.04Å; F452-F466 HydrophobicContact CG-CZ 4.49Å; F452-M472 HydrophobicContact CD1-CB 3.78Å; F452-M472 HydrophobicContact CD1-CG 4.11Å; F452-M472 HydrophobicContact CD1-SD 4.01Å; F452-M472 HydrophobicContact CE1-CB 3.8Å; F452-A474 HydrophobicContact CZ-CB 4.11Å
453	S	87.5	Confident	92.4	Very high	61 Å²	61	21.4 Å²	21.4	43%	0.427	11%	0.11	S	C	.	.	H	α-helix	trans	-61.9	-36.6	176.5	61.9	0	0	0	0	112.2	E449 I450 N455	E449-S453 PolarHBondContact O-N 3.34Å; I450-S453 PolarHBondContact O-N 3.29Å; I450-S453 PolarHBondContact O-OG 2.8Å; S453-N455 PolarHBondContact O-N 3.35Å; S453-N455 PolarHBondContact O-ND2 3.47Å
454	E	89.3	Confident	92.2	Very high	128 Å²	128	22.9 Å²	22.9	60%	0.598	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	5.7	174.7	-63.2	-52.9	133.3	0	0	113.9	I450 F452 L456	I450-E454 WeakPolarHBondContact O-CG 3.16Å; I450-E454 PolarHBondContact O-N 3.47Å; I450-E454 VanDerWaalsContact O-N 3.11Å; F452-E454 VanDerWaalsContact C-N 3.27Å; F452-E454 PolarHBondContact O-N 2.79Å; E454-L456 HydrophobicContact CB-CD1 4.13Å; E454-L456 HydrophobicContact CB-CG 4.16Å; E454-L456 PolarHBondContact O-N 2.75Å
455	N	90.7	Very high	91.9	Very high	49 Å²	49	25.7 Å²	25.7	26%	0.262	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	24.8	-176.7	-58.4	-92.8	0	0	0	114.3	F452 S453 K458 R507	F452-N455 PolarHBondContact O-N 3.16Å; S453-N455 PolarHBondContact O-N 3.35Å; S453-N455 PolarHBondContact O-ND2 3.47Å; N455-K458 PolarHBondContact O-NZ 3.45Å; N455-R507 PolarHBondContact OD1-NH1 3.39Å
456	L	93.4	Very high	91.7	Very high	19 Å²	19	23.2 Å²	23.2	10%	0.099	12%	0.123	C	C	.	.			trans	-81.3	-26.4	176.1	-64.4	170	0	0	0	111.8	E397 V400 V401 L451 E454	E397-L456 HydrophobicContact CB-CD2 4Å; E397-L456 HydrophobicContact CG-CD2 3.93Å; V400-L456 HydrophobicContact CB-CD1 4.48Å; V400-L456 HydrophobicContact CG1-CD1 3.84Å; V401-L456 HydrophobicContact CG2-CB 3.86Å; V401-L456 HydrophobicContact CG2-CD1 4.09Å; V401-L456 HydrophobicContact CG2-CD2 4.46Å; V401-L456 HydrophobicContact CG2-CG 4.36Å; L451-L456 HydrophobicContact CB-CB 4.48Å; L451-L456 HydrophobicContact CD2-CB 4.38Å; L451-L456 HydrophobicContact CD2-CD1 3.59Å; L451-L456 WeakPolarHBondContact O-CB 3.49Å; L451-L456 PolarHBondContact O-N 2.86Å; E454-L456 HydrophobicContact CB-CD1 4.13Å; E454-L456 HydrophobicContact CB-CG 4.16Å; E454-L456 PolarHBondContact O-N 2.75Å
457	I	94.7	Very high	91.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.118	C	C	.	.			trans	-91.5	121.8	172.1	-63.3	175.3	0	0	0	109.4	L429 I448 L451 F452 C459 L460	L429-I457 HydrophobicContact CD2-CD1 3.93Å; L429-I457 HydrophobicContact CD2-CG1 4.42Å; I448-I457 HydrophobicContact CB-CD1 4.36Å; I448-I457 HydrophobicContact CG2-CD1 3.74Å; I448-I457 WeakPolarHBondContact O-CD1 3.25Å; L451-I457 HydrophobicContact CB-CD1 3.72Å; L451-I457 HydrophobicContact CB-CG1 3.87Å; L451-I457 PolarHBondContact O-N 2.86Å; F452-I457 HydrophobicContact CB-CB 4.42Å; F452-I457 HydrophobicContact CB-CD1 4.34Å; F452-I457 HydrophobicContact CD2-CB 3.92Å; F452-I457 HydrophobicContact CD2-CG2 3.91Å; I457-C459 WeakPolarHBondContact CG2-O 3.13Å; I457-L460 HydrophobicContact CG2-CB 4.19Å; I457-L460 HydrophobicContact CG2-CD1 4.47Å
458	K	94	Very high	90.7	Very high	35 Å²	35	24 Å²	24	15%	0.152	13%	0.127	C	C	.	.	S	Bend	trans	-96.2	-27.1	179.8	-47.8	-54.5	-179.6	-175.5	0	112.3	E368 P369 I370 F392 E397 G432 N455	E368-K458 HydrophobicContact CG-CB 4.5Å; P369-K458 CarbonylContact C-O 3.54Å; P369-K458 VanDerWaalsContact CA-O 3.26Å; P369-K458 WeakPolarHBondContact CA-O 3.45Å; I370-K458 WeakPolarHBondContact CG2-O 3.44Å; I370-K458 PolarHBondContact N-O 3.46Å; F392-K458 HydrophobicContact CB-CB 3.83Å; F392-K458 HydrophobicContact CB-CG 3.78Å; F392-K458 HydrophobicContact CG-CB 4.39Å; E397-K458 WeakPolarHBondContact OE1-CE 3.46Å; E397-K458 IonicContact OE1-NZ 3.41Å; E397-K458 PolarHBondContact OE1-NZ 3.29Å; G432-K458 PolarHBondContact O-N 3.21Å; N455-K458 PolarHBondContact O-NZ 3.45Å
459	C	95.2	Very high	89.5	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	116.3	176.6	-176.8	0	0	0	0	110.2	I370 G432 I433 G434 I457	I370-C459 HydrophobicContact CG2-CB 3.83Å; I370-C459 WeakPolarHBondContact O-CA 3.36Å; G432-C459 PolarHBondContact O-N 3.3Å; I433-C459 CarbonylContact C-O 3.54Å; I433-C459 WeakPolarHBondContact CA-O 3.44Å; G434-C459 PolarHBondContact N-O 2.9Å; I457-C459 WeakPolarHBondContact CG2-O 3.13Å
460	L	95.8	Very high	88.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.7	179.7	-177.7	69	0	0	0	110.3	I370 I371 V372 H436 I448 F452 I457 A462 F466	I370-L460 PolarHBondContact O-N 2.79Å; I371-L460 CarbonylContact C-O 3.31Å; I371-L460 WeakPolarHBondContact CA-O 3.48Å; I371-L460 HydrophobicContact CG1-CB 4.48Å; I371-L460 HydrophobicContact CG1-CD2 4.42Å; V372-L460 PolarHBondContact N-O 3.44Å; H436-L460 HydrophobicContact CB-CD1 4.09Å; I448-L460 HydrophobicContact CG2-CD1 3.66Å; F452-L460 HydrophobicContact CD2-CB 4.01Å; F452-L460 HydrophobicContact CD2-CD2 3.97Å; F452-L460 HydrophobicContact CD2-CG 4.47Å; F452-L460 HydrophobicContact CE2-CB 3.87Å; F452-L460 HydrophobicContact CE2-CD2 4.11Å; F452-L460 HydrophobicContact CG-CD2 4.21Å; F452-L460 HydrophobicContact CZ-CD2 4.47Å; I457-L460 HydrophobicContact CG2-CB 4.19Å; I457-L460 HydrophobicContact CG2-CD1 4.47Å; L460-A462 HydrophobicContact CD2-CB 4.42Å; L460-A462 HydrophobicContact CG-CB 4.37Å; L460-F466 HydrophobicContact CD2-CD1 3.99Å; L460-F466 HydrophobicContact CD2-CD2 4.08Å; L460-F466 HydrophobicContact CD2-CE1 3.51Å; L460-F466 HydrophobicContact CD2-CE2 3.6Å; L460-F466 HydrophobicContact CD2-CG 4.25Å; L460-F466 HydrophobicContact CD2-CZ 3.28Å
461	F	96.1	Very high	88	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	114.8	169.8	-67.9	-81.1	0	0	0	109.7	V355 V372 C380 Y383 A384 L387 I433 G434 I435 H436	V355-F461 HydrophobicContact CG1-CE1 3.91Å; V355-F461 HydrophobicContact CG1-CZ 4.43Å; V372-F461 HydrophobicContact CB-CD1 3.57Å; V372-F461 HydrophobicContact CB-CE1 3.76Å; V372-F461 HydrophobicContact CB-CG 4.42Å; V372-F461 HydrophobicContact CG1-CD1 3.7Å; V372-F461 HydrophobicContact CG1-CE1 3.72Å; V372-F461 HydrophobicContact CG2-CD1 4.14Å; V372-F461 HydrophobicContact CG2-CE1 3.88Å; V372-F461 WeakPolarHBondContact O-CA 3.33Å; C380-F461 HydrophobicContact CB-CB 4.09Å; Y383-F461 HydrophobicContact CD2-CD1 4.28Å; Y383-F461 HydrophobicContact CD2-CE1 4.34Å; Y383-F461 HydrophobicContact CG-CD1 4.44Å; Y383-F461 HydrophobicContact CG-CE1 4.14Å; A384-F461 HydrophobicContact CB-CD2 3.69Å; A384-F461 HydrophobicContact CB-CE2 4Å; A384-F461 HydrophobicContact CB-CG 4.46Å; L387-F461 HydrophobicContact CD1-CE2 3.72Å; L387-F461 HydrophobicContact CD1-CZ 3.43Å; L387-F461 VanDerWaalsContact CD1-CZ 3.43Å; L387-F461 HydrophobicContact CG-CE2 4.47Å; L387-F461 HydrophobicContact CG-CZ 4.15Å; I433-F461 HydrophobicContact CG2-CD2 4.13Å; I433-F461 HydrophobicContact CG2-CE2 3.97Å; G434-F461 PolarHBondContact O-N 3.03Å; I435-F461 CarbonylContact C-O 3.49Å; I435-F461 WeakPolarHBondContact CA-O 3.3Å; H436-F461 PolarHBondContact N-O 3.43Å
462	A	94.8	Very high	87.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.9	-172.2	0	0	0	0	0	113.2	I371 V372 F373 S374 H436 L460 F466	I371-A462 HydrophobicContact CG2-CB 4.19Å; V372-A462 PolarHBondContact O-N 2.69Å; F373-A462 VanDerWaalsContact CA-O 3.26Å; F373-A462 WeakPolarHBondContact CA-O 3.5Å; F373-A462 HydrophobicContact CD1-CB 4.34Å; F373-A462 HydrophobicContact CE1-CB 4.28Å; S374-A462 PolarHBondContact N-O 3.33Å; H436-A462 HydrophobicContact CB-CB 4.1Å; H436-A462 CarbonylContact O-C 3.57Å; H436-A462 VanDerWaalsContact O-CA 3.24Å; H436-A462 WeakPolarHBondContact O-CA 3.44Å; L460-A462 HydrophobicContact CD2-CB 4.42Å; L460-A462 HydrophobicContact CG-CB 4.37Å; A462-F466 HydrophobicContact CB-CB 3.63Å; A462-F466 HydrophobicContact CB-CD1 4.15Å; A462-F466 HydrophobicContact CB-CG 3.93Å
463	T	92.5	Very high	87.2	Confident	15 Å²	15	29 Å²	29	9%	0.092	16%	0.159	C	C	.	.			trans	-82.2	168	163.2	55	0	0	0	0	110.8	S374 H436 H437 T465 F466	S374-T463 WeakPolarHBondContact O-CA 3.22Å; S374-T463 WeakPolarHBondContact O-CG2 3.11Å; H436-T463 PolarHBondContact O-N 3.46Å; H437-T463 HydrophobicContact CB-CG2 3.61Å; T463-T465 PolarHBondContact O-N 2.8Å; T463-T465 PolarHBondContact OG1-OG1 2.96Å; T463-F466 WeakPolarHBondContact O-CB 3.49Å; T463-F466 PolarHBondContact O-N 3.23Å
464	E	87	Confident	87.5	Confident	44 Å²	44	26.1 Å²	26.1	21%	0.206	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-50	-32.3	177.9	-178.3	171.4	-150.8	0	0	113.3	F466 A467 K484 E497 M501	E464-F466 PolarHBondContact O-N 3.41Å; E464-A467 WeakPolarHBondContact O-CB 3.14Å; E464-A467 PolarHBondContact O-N 2.85Å; E464-K484 VanDerWaalsContact CD-NZ 3.28Å; E464-K484 IonicContact OE1-NZ 2.68Å; E464-K484 PolarHBondContact OE1-NZ 2.87Å; E464-K484 IonicContact OE2-NZ 2.78Å; E464-K484 PolarHBondContact OE2-NZ 3.36Å; E464-E497 WeakPolarHBondContact OE1-CG 3.5Å; E464-M501 HydrophobicContact CB-SD 4.29Å; E464-M501 HydrophobicContact CG-SD 4.17Å
465	T	83.9	Confident	87.7	Confident	61 Å²	61	23.6 Å²	23.6	37%	0.374	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-56.1	-25.3	178.1	62.9	0	0	0	0	114.5	T463 A467 M468	T463-T465 PolarHBondContact O-N 2.8Å; T463-T465 PolarHBondContact OG1-OG1 2.96Å; T465-A467 VanDerWaalsContact C-N 3.34Å; T465-M468 HydrophobicContact CG2-SD 4.41Å; T465-M468 WeakPolarHBondContact O-CB 3.09Å; T465-M468 PolarHBondContact O-N 3.25Å
466	F	87.5	Confident	87.9	Confident	1 Å²	1	21.2 Å²	21.2	0%	0.004	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-71.7	-29.9	174.8	-175	-101.4	0	0	0	112.7	I371 F373 H436 F452 L460 A462 T463 E464 M468 L470 M472	I371-F466 HydrophobicContact CD1-CD1 4.28Å; I371-F466 HydrophobicContact CD1-CE1 3.67Å; I371-F466 HydrophobicContact CG1-CE1 4.17Å; I371-F466 HydrophobicContact CG2-CD1 4.33Å; F373-F466 HydrophobicContact CE1-CB 4.39Å; F373-F466 HydrophobicContact CE1-CD1 4.46Å; H436-F466 HydrophobicContact CB-CD2 4.33Å; H436-F466 AromaticContact CD2-CD2 3.62Å; H436-F466 AromaticContact CE1-CD2 3.65Å; H436-F466 AromaticContact CG-CD2 3.66Å; H436-F466 AromaticContact ND1-CD2 3.73Å; H436-F466 AromaticContact NE2-CD2 3.61Å; F452-F466 AromaticContact CD1-CZ 3.9Å; F452-F466 HydrophobicContact CD1-CZ 3.9Å; F452-F466 HydrophobicContact CE1-CE1 4.37Å; F452-F466 HydrophobicContact CE1-CZ 4.04Å; F452-F466 HydrophobicContact CG-CZ 4.49Å; L460-F466 HydrophobicContact CD2-CD1 3.99Å; L460-F466 HydrophobicContact CD2-CD2 4.08Å; L460-F466 HydrophobicContact CD2-CE1 3.51Å; L460-F466 HydrophobicContact CD2-CE2 3.6Å; L460-F466 HydrophobicContact CD2-CG 4.25Å; L460-F466 HydrophobicContact CD2-CZ 3.28Å; A462-F466 HydrophobicContact CB-CB 3.63Å; A462-F466 HydrophobicContact CB-CD1 4.15Å; A462-F466 HydrophobicContact CB-CG 3.93Å; T463-F466 WeakPolarHBondContact O-CB 3.49Å; T463-F466 PolarHBondContact O-N 3.23Å; E464-F466 PolarHBondContact O-N 3.41Å; F466-M468 PolarHBondContact O-N 3.43Å; F466-L470 HydrophobicContact CD2-CD1 4.43Å; F466-L470 HydrophobicContact CE2-CD1 4.46Å; F466-M472 HydrophobicContact CE1-CB 4.2Å; F466-M472 HydrophobicContact CE2-SD 3.56Å; F466-M472 VanDerWaalsContact CE2-SD 3.56Å; F466-M472 HydrophobicContact CZ-CB 3.7Å; F466-M472 HydrophobicContact CZ-CG 4.26Å; F466-M472 HydrophobicContact CZ-SD 3.56Å; F466-M472 VanDerWaalsContact CZ-SD 3.56Å
467	A	82.5	Confident	88	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-72.3	-12.9	175.2	0	0	0	0	0	112.3	F373 E464 T465 M501 R504	F373-A467 HydrophobicContact CE1-CB 3.98Å; F373-A467 HydrophobicContact CZ-CB 3.83Å; E464-A467 WeakPolarHBondContact O-CB 3.14Å; E464-A467 PolarHBondContact O-N 2.85Å; T465-A467 VanDerWaalsContact C-N 3.34Å; A467-M501 HydrophobicContact CB-CB 4.32Å; A467-M501 HydrophobicContact CB-CG 3.65Å; A467-R504 PolarHBondContact O-NE 2.95Å; A467-R504 PolarHBondContact O-NH2 2.84Å
468	M	78.9	Confident	88.1	Confident	42 Å²	42	20.3 Å²	20.3	21%	0.207	11%	0.106	C	C	.	.	S	Bend	trans	-88.5	124.1	-179.7	-53.9	173.6	73.5	0	0	110.4	I173 Y238 T465 F466 L470	I173-M468 HydrophobicContact CD1-CB 4.47Å; I173-M468 VanDerWaalsContact CD1-O 3.28Å; I173-M468 WeakPolarHBondContact CD1-O 3.46Å; Y238-M468 HydrophobicContact CD1-CE 4.24Å; Y238-M468 HydrophobicContact CE1-CE 3.26Å; Y238-M468 WeakPolarHBondContact OH-CB 3.33Å; Y238-M468 WeakPolarHBondContact OH-CE 3.27Å; Y238-M468 WeakPolarHBondContact OH-CG 3.26Å; T465-M468 HydrophobicContact CG2-SD 4.41Å; T465-M468 WeakPolarHBondContact O-CB 3.09Å; T465-M468 PolarHBondContact O-N 3.25Å; F466-M468 PolarHBondContact O-N 3.43Å; M468-L470 VanDerWaalsContact C-N 3.27Å; M468-L470 PolarHBondContact O-N 2.95Å
469	G	66.9	Low	88.2	Confident	9 Å²	9	18.6 Å²	18.6	9%	0.093	10%	0.099	C	C	.	.	S	Bend	trans	68.8	-13.4	161.3	0	0	0	0	0	119.4	L176	L176-G469 WeakPolarHBondContact CB-O 3.46Å; L176-G469 WeakPolarHBondContact CD1-O 3.14Å; L176-G469 WeakPolarHBondContact CG-O 3.49Å
470	L	75.5	Confident	88.1	Confident	7 Å²	7	18.7 Å²	18.7	4%	0.037	10%	0.099	C	C	.	.			trans	-93.7	149.6	177.1	-65.4	172.5	0	0	0	111.9	A175 E449 F466 M468 M472 R504	A175-L470 HydrophobicContact CB-CD2 4.22Å; E449-L470 HydrophobicContact CG-CD1 4.1Å; F466-L470 HydrophobicContact CD2-CD1 4.43Å; F466-L470 HydrophobicContact CE2-CD1 4.46Å; M468-L470 VanDerWaalsContact C-N 3.27Å; M468-L470 PolarHBondContact O-N 2.95Å; L470-M472 HydrophobicContact CB-CE 4.43Å; L470-M472 HydrophobicContact CB-CG 4.41Å; L470-M472 HydrophobicContact CB-SD 4.43Å; L470-M472 HydrophobicContact CD1-CE 4.27Å; L470-M472 HydrophobicContact CD1-SD 4.4Å; L470-M472 PolarHBondContact O-N 3.42Å; L470-R504 PolarHBondContact O-NH1 2.98Å; L470-R504 PolarHBondContact O-NH2 3.49Å
471	N	76.1	Confident	87.8	Confident	90 Å²	90	20.1 Å²	20.1	48%	0.481	11%	0.109	S	C	.	.			trans	-94.5	69.6	175.4	-171.8	23.2	0	0	0	112.6	P473	N471-P473 WeakPolarHBondContact O-CD 3.37Å
472	M	83.8	Confident	87.5	Confident	8 Å²	8	20.5 Å²	20.5	4%	0.039	11%	0.112	C	C	.	.			trans	-124.3	79.1	-174.5	-70	-178.3	-167.8	0	0	112.4	E449 F452 F466 L470	E449-M472 HydrophobicContact CB-CE 3.57Å; E449-M472 HydrophobicContact CB-SD 4.26Å; E449-M472 HydrophobicContact CG-CE 4.05Å; E449-M472 HydrophobicContact CG-SD 4.37Å; F452-M472 HydrophobicContact CD1-CB 3.78Å; F452-M472 HydrophobicContact CD1-CG 4.11Å; F452-M472 HydrophobicContact CD1-SD 4.01Å; F452-M472 HydrophobicContact CE1-CB 3.8Å; F466-M472 HydrophobicContact CE1-CB 4.2Å; F466-M472 HydrophobicContact CE2-SD 3.56Å; F466-M472 VanDerWaalsContact CE2-SD 3.56Å; F466-M472 HydrophobicContact CZ-CB 3.7Å; F466-M472 HydrophobicContact CZ-CG 4.26Å; F466-M472 HydrophobicContact CZ-SD 3.56Å; F466-M472 VanDerWaalsContact CZ-SD 3.56Å; L470-M472 HydrophobicContact CB-CE 4.43Å; L470-M472 HydrophobicContact CB-CG 4.41Å; L470-M472 HydrophobicContact CB-SD 4.43Å; L470-M472 HydrophobicContact CD1-CE 4.27Å; L470-M472 HydrophobicContact CD1-SD 4.4Å; L470-M472 PolarHBondContact O-N 3.42Å
473	P	86	Confident	87.3	Confident	39 Å²	39	24.3 Å²	24.3	25%	0.253	13%	0.126	S	C	.	.			trans	-76.6	137.7	178	31	-33.7	0	0	0	112.1	N471 R504 R507	N471-P473 WeakPolarHBondContact O-CD 3.37Å; P473-R504 CarbonylContact C-O 3.56Å; P473-R504 WeakPolarHBondContact CA-O 3.49Å; P473-R507 HydrophobicContact CB-CG 3.94Å; P473-R507 HydrophobicContact CG-CG 4.07Å; P473-R507 WeakPolarHBondContact O-CG 2.86Å
474	A	92	Very high	87.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-108.3	166	172.9	0	0	0	0	0	111.1	P369 I371 F452 R504 A505 G506	P369-A474 HydrophobicContact CG-CB 4.4Å; I371-A474 HydrophobicContact CB-CB 4.47Å; I371-A474 HydrophobicContact CD1-CB 3.46Å; I371-A474 VanDerWaalsContact CD1-CB 3.46Å; I371-A474 HydrophobicContact CG1-CB 3.63Å; F452-A474 HydrophobicContact CZ-CB 4.11Å; A474-R504 PolarHBondContact N-O 3.39Å; A474-R504 VanDerWaalsContact O-O 3.09Å; A474-A505 CarbonylContact O-C 3.59Å; A474-A505 VanDerWaalsContact O-C 3.31Å; A474-A505 VanDerWaalsContact O-CA 3.32Å; A474-A505 WeakPolarHBondContact O-CA 3.09Å; A474-G506 PolarHBondContact O-N 2.82Å
475	R	93.5	Very high	87	Confident	75 Å²	75	27.1 Å²	27.1	28%	0.283	14%	0.135	S	C	.	.	S	Bend	trans	-76.8	-38.7	172.4	-177.4	169.5	-178.7	174.3	10.7	111.3	S366 P369 G506 D511 T515	S366-R475 PolarHBondContact O-NH1 2.84Å; P369-R475 PolarHBondContact O-N 3.44Å; R475-G506 PolarHBondContact O-N 3.43Å; R475-D511 WeakPolarHBondContact CD-OD1 3.27Å; R475-D511 IonicContact NE-OD1 3.13Å; R475-T515 PolarHBondContact O-N 3.08Å; R475-T515 VanDerWaalsContact O-N 3.07Å
476	T	95.8	Very high	86.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.7	-178.6	-56.7	0	0	0	0	111.9	V362 L367 P369 I370 I371 T515 I517	V362-T476 HydrophobicContact CG2-CG2 4.18Å; L367-T476 WeakPolarHBondContact CB-OG1 3.13Å; L367-T476 WeakPolarHBondContact O-CB 3.31Å; L367-T476 PolarHBondContact O-OG1 3.06Å; P369-T476 PolarHBondContact O-N 3.42Å; I370-T476 CarbonylContact C-O 3.54Å; I370-T476 VanDerWaalsContact CA-O 3.28Å; I370-T476 WeakPolarHBondContact CA-O 2.99Å; I370-T476 HydrophobicContact CD1-CG2 3.91Å; I370-T476 HydrophobicContact CG1-CG2 3.96Å; I371-T476 PolarHBondContact N-O 2.85Å; T476-T515 CarbonylContact C-O 3.59Å; T476-T515 VanDerWaalsContact CA-O 3.23Å; T476-T515 WeakPolarHBondContact CA-O 3.48Å; T476-T515 HydrophobicContact CG2-CG2 4.08Å; T476-I517 HydrophobicContact CG2-CD1 4.2Å; T476-I517 HydrophobicContact CG2-CG1 4.5Å
477	V	95.6	Very high	86.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.4	168.8	170.8	0	0	0	0	109	I371 F373 F479 R504 A505 T515 V516 I517	I371-V477 HydrophobicContact CB-CG2 4.46Å; I371-V477 CarbonylContact O-C 3.43Å; I371-V477 WeakPolarHBondContact O-CA 3.41Å; F373-V477 HydrophobicContact CD2-CG1 3.51Å; F373-V477 HydrophobicContact CE2-CG1 3.62Å; F373-V477 HydrophobicContact CE2-CG2 4.35Å; V477-F479 HydrophobicContact CG1-CD2 4.28Å; V477-F479 HydrophobicContact CG1-CE2 3.81Å; V477-F479 HydrophobicContact CG1-CZ 4.18Å; V477-R504 HydrophobicContact CG2-CB 3.98Å; V477-A505 HydrophobicContact CB-CB 4.08Å; V477-A505 HydrophobicContact CG2-CB 3.72Å; V477-T515 PolarHBondContact N-O 2.87Å; V477-V516 CarbonylContact O-C 3.6Å; V477-V516 WeakPolarHBondContact O-CA 3.36Å; V477-I517 PolarHBondContact O-N 2.94Å
478	L	96.1	Very high	85.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.4	175.8	169.3	63.4	0	0	0	109.6	V355 I358 I370 I371 V372 F373 I517 M519	V355-L478 HydrophobicContact CG1-CD2 4.35Å; I358-L478 HydrophobicContact CB-CD2 4.26Å; I358-L478 HydrophobicContact CD1-CD1 3.9Å; I358-L478 HydrophobicContact CD1-CD2 4.34Å; I358-L478 HydrophobicContact CG2-CD1 4.18Å; I358-L478 HydrophobicContact CG2-CD2 3.91Å; I370-L478 HydrophobicContact CD1-CB 3.95Å; I370-L478 HydrophobicContact CD1-CD2 4.48Å; I370-L478 HydrophobicContact CG1-CB 4.49Å; I371-L478 PolarHBondContact O-N 2.94Å; V372-L478 CarbonylContact C-O 3.58Å; V372-L478 WeakPolarHBondContact CA-O 3.45Å; V372-L478 HydrophobicContact CG1-CB 4.4Å; V372-L478 HydrophobicContact CG1-CD2 3.89Å; V372-L478 HydrophobicContact CG1-CG 4.11Å; V372-L478 HydrophobicContact CG2-CB 4.25Å; V372-L478 HydrophobicContact CG2-CD2 4.02Å; F373-L478 PolarHBondContact N-O 3.42Å; L478-I517 CarbonylContact C-O 3.59Å; L478-I517 WeakPolarHBondContact CA-O 3.45Å; L478-I517 HydrophobicContact CD1-CB 3.77Å; L478-I517 HydrophobicContact CD1-CG2 3.64Å; L478-M519 HydrophobicContact CD1-CG 4Å; L478-M519 HydrophobicContact CD1-SD 4.14Å
479	F	95.6	Very high	86.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.2	169.1	-64.1	-91.9	0	0	0	109.2	F373 F375 V477 S481 Y498 M501 V516 I517 L518 M519	F373-F479 HydrophobicContact CB-CD1 4.21Å; F373-F479 HydrophobicContact CD2-CE1 4.29Å; F375-F479 HydrophobicContact CZ-CD1 4.49Å; V477-F479 HydrophobicContact CG1-CD2 4.28Å; V477-F479 HydrophobicContact CG1-CE2 3.81Å; V477-F479 HydrophobicContact CG1-CZ 4.18Å; F479-S481 VanDerWaalsContact C-N 3.28Å; F479-S481 PolarHBondContact O-N 3.12Å; F479-Y498 HydrophobicContact CD2-CD2 4.42Å; F479-Y498 AromaticContact CD2-CE2 3.84Å; F479-Y498 HydrophobicContact CD2-CE2 3.84Å; F479-Y498 HydrophobicContact CE1-CD2 4.11Å; F479-Y498 HydrophobicContact CE1-CE2 4.45Å; F479-Y498 AromaticContact CE2-CD2 3.84Å; F479-Y498 HydrophobicContact CE2-CD2 3.84Å; F479-Y498 AromaticContact CE2-CE2 3.41Å; F479-Y498 HydrophobicContact CE2-CE2 3.41Å; F479-Y498 VanDerWaalsContact CE2-CE2 3.41Å; F479-Y498 AromaticContact CZ-CD2 3.65Å; F479-Y498 HydrophobicContact CZ-CD2 3.65Å; F479-Y498 AromaticContact CZ-CE2 3.75Å; F479-Y498 HydrophobicContact CZ-CE2 3.75Å; F479-M501 HydrophobicContact CD1-SD 4.41Å; F479-M501 HydrophobicContact CE1-CB 3.54Å; F479-M501 HydrophobicContact CE1-CE 3.79Å; F479-M501 HydrophobicContact CE1-CG 4.24Å; F479-M501 HydrophobicContact CE1-SD 3.71Å; F479-M501 HydrophobicContact CZ-CB 3.55Å; F479-V516 HydrophobicContact CD2-CG1 4.05Å; F479-V516 HydrophobicContact CE2-CG1 3.61Å; F479-I517 PolarHBondContact N-O 3.27Å; F479-L518 HydrophobicContact CB-CD1 3.51Å; F479-L518 HydrophobicContact CD2-CD1 4.37Å; F479-L518 HydrophobicContact CG-CD1 4.05Å; F479-M519 WeakPolarHBondContact O-CB 3.47Å; F479-M519 WeakPolarHBondContact O-CG 3.32Å; F479-M519 PolarHBondContact O-N 3.38Å
480	T	93.2	Very high	87.1	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.23	C	C	.	.	S	Bend	trans	-74	-20.9	179.3	60.9	0	0	0	0	113.2	V355 V372 F373 Y383	V355-T480 HydrophobicContact CG2-CG2 3.89Å; V372-T480 HydrophobicContact CG1-CG2 3.53Å; F373-T480 PolarHBondContact O-N 3.07Å; F373-T480 VanDerWaalsContact O-N 3.1Å; F373-T480 PolarHBondContact O-OG1 3.41Å; Y383-T480 HydrophobicContact CD2-CG2 4.38Å; Y383-T480 HydrophobicContact CE2-CG2 3.84Å
481	S	90.6	Very high	87.9	Confident	30 Å²	30	49.4 Å²	49.4	21%	0.21	24%	0.241	C	C	.	.			trans	-150.1	150.8	-179.4	175.5	0	0	0	0	109.8	F375 F479 R483	F375-S481 WeakPolarHBondContact CE2-O 3.45Å; F479-S481 VanDerWaalsContact C-N 3.28Å; F479-S481 PolarHBondContact O-N 3.12Å; S481-R483 PolarHBondContact OG-N 3.35Å; S481-R483 PolarHBondContact OG-O 3.27Å
482	A	89.9	Confident	88.6	Confident	7 Å²	7	48.1 Å²	48.1	6%	0.058	23%	0.23	C	C	.	.	S	Bend	trans	-91.2	-3.2	168.1	0	0	0	0	0	112.9	W492 I493 L518	A482-W492 HydrophobicContact CB-CE3 4.03Å; A482-W492 HydrophobicContact CB-CZ3 3.89Å; A482-I493 WeakPolarHBondContact O-CG1 3.35Å; A482-I493 PolarHBondContact O-N 3.38Å; A482-I493 VanDerWaalsContact O-N 3.12Å; A482-L518 HydrophobicContact CB-CD1 4.07Å
483	R	90.8	Very high	89	Confident	81 Å²	81	47.9 Å²	47.9	31%	0.306	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.9	-179.5	-66.3	178.7	173.2	162.7	-3.9	111.2	F375 S481 R491 W492 D521 S523	F375-R483 WeakPolarHBondContact CD2-O 3.2Å; S481-R483 PolarHBondContact OG-N 3.35Å; S481-R483 PolarHBondContact OG-O 3.27Å; R483-R491 CarbonylContact C-O 3.54Å; R483-R491 VanDerWaalsContact CA-O 3.26Å; R483-R491 WeakPolarHBondContact CA-O 3.4Å; R483-W492 HydrophobicContact CG-CD2 4.03Å; R483-W492 HydrophobicContact CG-CE3 3.49Å; R483-W492 VanDerWaalsContact CG-CE3 3.49Å; R483-W492 HydrophobicContact CG-CH2 4.26Å; R483-W492 HydrophobicContact CG-CZ3 3.61Å; R483-W492 VanDerWaalsContact NE-CH2 3.27Å; R483-W492 VanDerWaalsContact NH2-CH2 3.3Å; R483-D521 IonicContact NH1-OD2 3.6Å; R483-S523 PolarHBondContact NH1-OG 3.11Å; R483-S523 PolarHBondContact NH2-OG 3.33Å
484	K	88.8	Confident	89.2	Confident	17 Å²	17	48.6 Å²	48.6	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	156	173.2	70.4	177.6	-174.9	174.6	0	111.6	F375 E464 Y490 R491 E497	F375-K484 HydrophobicContact CB-CB 3.98Å; F375-K484 HydrophobicContact CD1-CB 3.98Å; F375-K484 HydrophobicContact CD1-CD 4.14Å; F375-K484 HydrophobicContact CD2-CB 3.82Å; F375-K484 HydrophobicContact CE1-CB 4.5Å; F375-K484 HydrophobicContact CE1-CD 4.28Å; F375-K484 HydrophobicContact CE2-CB 4.36Å; F375-K484 HydrophobicContact CG-CB 3.62Å; E464-K484 VanDerWaalsContact CD-NZ 3.28Å; E464-K484 IonicContact OE1-NZ 2.68Å; E464-K484 PolarHBondContact OE1-NZ 2.87Å; E464-K484 IonicContact OE2-NZ 2.78Å; E464-K484 PolarHBondContact OE2-NZ 3.36Å; K484-Y490 CarbonylContact O-C 3.59Å; K484-Y490 WeakPolarHBondContact O-CA 3.28Å; K484-R491 VanDerWaalsContact CE-CZ 3.48Å; K484-R491 PolarHBondContact N-O 3.03Å; K484-R491 PolarHBondContact O-N 3.19Å; K484-E497 WeakPolarHBondContact CE-OE1 3.49Å; K484-E497 IonicContact NZ-OE1 3.8Å; K484-E497 PolarHBondContact NZ-OE1 3.29Å; K484-E497 IonicContact NZ-OE2 3.65Å
485	Y	84.4	Confident	89.1	Confident	101 Å²	101	49.3 Å²	49.3	40%	0.396	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.1	173.7	-172.4	-104.6	0	0	0	109	G487 S489 Y490	Y485-G487 WeakPolarHBondContact CE1-O 3.42Å; Y485-G487 VanDerWaalsContact CZ-C 3.4Å; Y485-G487 VanDerWaalsContact CZ-O 3.23Å; Y485-G487 VanDerWaalsContact OH-C 3.3Å; Y485-G487 PolarHBondContact OH-O 3.19Å; Y485-S489 WeakPolarHBondContact CA-O 3.4Å; Y485-Y490 AromaticContact CD2-CD2 3.79Å; Y485-Y490 HydrophobicContact CD2-CD2 3.79Å; Y485-Y490 HydrophobicContact CD2-CE1 4.48Å; Y485-Y490 AromaticContact CD2-CE2 3.66Å; Y485-Y490 HydrophobicContact CD2-CE2 3.66Å; Y485-Y490 HydrophobicContact CD2-CG 4.26Å; Y485-Y490 HydrophobicContact CE2-CD2 4.47Å; Y485-Y490 HydrophobicContact CE2-CE2 4.31Å; Y485-Y490 HydrophobicContact CG-CE2 4.47Å
486	D	79.8	Confident	88.9	Confident	76 Å²	76	46.5 Å²	46.5	41%	0.406	23%	0.231	S	C	.	.			trans	-96.8	8.4	-178	62.5	11.1	0	0	0	113.8	Q488 S489 R491	D486-Q488 PolarHBondContact OD1-N 2.94Å; D486-S489 PolarHBondContact N-O 3.47Å; D486-S489 VanDerWaalsContact N-O 3.12Å; D486-S489 PolarHBondContact OD1-N 3.07Å; D486-R491 HydrophobicContact CB-CG 4.37Å; D486-R491 IonicContact OD2-NE 3.07Å
487	G	75.6	Confident	88.6	Confident	35 Å²	35	47.9 Å²	47.9	36%	0.361	24%	0.238	S	C	.	.	S	Bend	trans	104.2	-28.8	-173.8	0	0	0	0	0	113.1	Y485	Y485-G487 WeakPolarHBondContact CE1-O 3.42Å; Y485-G487 VanDerWaalsContact CZ-C 3.4Å; Y485-G487 VanDerWaalsContact CZ-O 3.23Å; Y485-G487 VanDerWaalsContact OH-C 3.3Å; Y485-G487 PolarHBondContact OH-O 3.19Å
488	Q	75.4	Confident	88.5	Confident	182 Å²	182	48 Å²	48	85%	0.85	24%	0.238	S	C	*	.	S	Bend	trans	-114.3	-47.1	-179.2	-60.9	-175.5	11.8	0	0	112.2	D486	D486-Q488 PolarHBondContact OD1-N 2.94Å
489	S	84.3	Confident	88.1	Confident	62 Å²	62	49.6 Å²	49.6	43%	0.434	25%	0.247	S	C	.	.	S	Bend	trans	-143.9	164.6	-174.7	75.2	0	0	0	0	112.3	Y485 D486	Y485-S489 WeakPolarHBondContact CA-O 3.4Å; D486-S489 PolarHBondContact N-O 3.47Å; D486-S489 VanDerWaalsContact N-O 3.12Å; D486-S489 PolarHBondContact OD1-N 3.07Å
490	Y	86.2	Confident	87.8	Confident	158 Å²	158	50.6 Å²	50.6	62%	0.62	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.9	168.9	-77.4	-90.6	0	0	0	109.1	K484 Y485	K484-Y490 CarbonylContact O-C 3.59Å; K484-Y490 WeakPolarHBondContact O-CA 3.28Å; Y485-Y490 AromaticContact CD2-CD2 3.79Å; Y485-Y490 HydrophobicContact CD2-CD2 3.79Å; Y485-Y490 HydrophobicContact CD2-CE1 4.48Å; Y485-Y490 AromaticContact CD2-CE2 3.66Å; Y485-Y490 HydrophobicContact CD2-CE2 3.66Å; Y485-Y490 HydrophobicContact CD2-CG 4.26Å; Y485-Y490 HydrophobicContact CE2-CD2 4.47Å; Y485-Y490 HydrophobicContact CE2-CE2 4.31Å; Y485-Y490 HydrophobicContact CG-CE2 4.47Å
491	R	91.7	Very high	87.7	Confident	74 Å²	74	50.5 Å²	50.5	28%	0.279	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	161.7	176.8	69.2	166.5	-180	85.9	-9.7	112.1	R483 K484 D486 E497	R483-R491 CarbonylContact C-O 3.54Å; R483-R491 VanDerWaalsContact CA-O 3.26Å; R483-R491 WeakPolarHBondContact CA-O 3.4Å; K484-R491 VanDerWaalsContact CE-CZ 3.48Å; K484-R491 PolarHBondContact N-O 3.03Å; K484-R491 PolarHBondContact O-N 3.19Å; D486-R491 HydrophobicContact CB-CG 4.37Å; D486-R491 IonicContact OD2-NE 3.07Å; R491-E497 IonicContact CZ-OE1 2.7Å; R491-E497 IonicContact CZ-OE2 2.84Å; R491-E497 IonicContact NH1-OE1 3.95Å; R491-E497 PolarHBondContact NH1-OE1 3.01Å; R491-E497 IonicContact NH1-OE2 3.69Å; R491-E497 PolarHBondContact NH1-OE2 2.81Å; R491-E497 IonicContact NH2-OE1 3.71Å; R491-E497 PolarHBondContact NH2-OE1 3.11Å; R491-E497 IonicContact NH2-OE2 3.77Å
492	W	92.2	Very high	87.8	Confident	63 Å²	63	49.3 Å²	49.3	24%	0.239	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	147.6	170.1	-59.4	109.3	0	0	0	111	A482 R483 M524 L528 I532	A482-W492 HydrophobicContact CB-CE3 4.03Å; A482-W492 HydrophobicContact CB-CZ3 3.89Å; R483-W492 HydrophobicContact CG-CD2 4.03Å; R483-W492 HydrophobicContact CG-CE3 3.49Å; R483-W492 VanDerWaalsContact CG-CE3 3.49Å; R483-W492 HydrophobicContact CG-CH2 4.26Å; R483-W492 HydrophobicContact CG-CZ3 3.61Å; R483-W492 VanDerWaalsContact NE-CH2 3.27Å; R483-W492 VanDerWaalsContact NH2-CH2 3.3Å; W492-M524 HydrophobicContact CE3-SD 4.22Å; W492-M524 HydrophobicContact CH2-CB 4.48Å; W492-M524 HydrophobicContact CH2-SD 3.78Å; W492-M524 HydrophobicContact CZ2-SD 4.49Å; W492-M524 HydrophobicContact CZ3-SD 3.63Å; W492-L528 HydrophobicContact CZ2-CD1 3.79Å; W492-I532 HydrophobicContact CB-CD1 4.32Å; W492-I532 HydrophobicContact CE3-CD1 4.32Å
493	I	92.1	Very high	87.8	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.8	137.5	170.4	-56.5	157.5	0	0	0	108.2	F375 A482 E497 M501 I532	F375-I493 HydrophobicContact CE1-CD1 4.46Å; F375-I493 HydrophobicContact CE2-CD1 3.55Å; F375-I493 HydrophobicContact CE2-CG1 4.06Å; F375-I493 HydrophobicContact CZ-CD1 3.33Å; F375-I493 HydrophobicContact CZ-CG1 3.78Å; A482-I493 WeakPolarHBondContact O-CG1 3.35Å; A482-I493 PolarHBondContact O-N 3.38Å; A482-I493 VanDerWaalsContact O-N 3.12Å; I493-E497 HydrophobicContact CG2-CB 3.53Å; I493-M501 HydrophobicContact CG2-CE 3.92Å; I493-I532 WeakPolarHBondContact O-CG1 3.46Å
494	T	90.4	Very high	87.7	Confident	54 Å²	54	46.1 Å²	46.1	33%	0.331	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-76.3	158.6	175.7	64.1	0	0	0	0	111.3	G496 E497 Y498	T494-G496 PolarHBondContact O-N 3.43Å; T494-E497 PolarHBondContact N-OE2 3.19Å; T494-E497 PolarHBondContact O-N 2.94Å; T494-E497 WeakPolarHBondContact OG1-CG 3.04Å; T494-E497 PolarHBondContact OG1-N 2.96Å; T494-E497 PolarHBondContact OG1-OE2 2.84Å; T494-Y498 WeakPolarHBondContact O-CB 3.48Å; T494-Y498 PolarHBondContact O-N 3Å
495	S	90.2	Very high	87.9	Confident	14 Å²	14	45.3 Å²	45.3	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-53.6	-40.7	173.2	50.1	0	0	0	0	112.6	Y498 I499 G535 P536	S495-Y498 PolarHBondContact O-N 2.91Å; S495-I499 WeakPolarHBondContact O-CB 3.43Å; S495-I499 WeakPolarHBondContact O-CD1 3.24Å; S495-I499 WeakPolarHBondContact O-CG1 3.4Å; S495-I499 PolarHBondContact O-N 2.7Å; S495-G535 VanDerWaalsContact CB-O 3.3Å; S495-G535 WeakPolarHBondContact CB-O 3.16Å; S495-P536 PolarHBondContact OG-O 3.12Å
496	G	87.7	Confident	88.2	Confident	16 Å²	16	40.5 Å²	40.5	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-48.1	178.4	0	0	0	0	0	113.5	T494 Y498 I499 Q500	T494-G496 PolarHBondContact O-N 3.43Å; G496-Y498 VanDerWaalsContact C-N 3.32Å; G496-Y498 PolarHBondContact O-N 3.2Å; G496-I499 PolarHBondContact O-N 2.95Å; G496-Q500 PolarHBondContact O-N 3.33Å
497	E	90	Very high	88.6	Confident	30 Å²	30	38.7 Å²	38.7	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-42.8	176.5	-68.4	164.1	155.9	0	0	110.7	E464 K484 R491 I493 T494 Q500 M501	E464-E497 WeakPolarHBondContact OE1-CG 3.5Å; K484-E497 WeakPolarHBondContact CE-OE1 3.49Å; K484-E497 IonicContact NZ-OE1 3.8Å; K484-E497 PolarHBondContact NZ-OE1 3.29Å; K484-E497 IonicContact NZ-OE2 3.65Å; R491-E497 IonicContact CZ-OE1 2.7Å; R491-E497 IonicContact CZ-OE2 2.84Å; R491-E497 IonicContact NH1-OE1 3.95Å; R491-E497 PolarHBondContact NH1-OE1 3.01Å; R491-E497 IonicContact NH1-OE2 3.69Å; R491-E497 PolarHBondContact NH1-OE2 2.81Å; R491-E497 IonicContact NH2-OE1 3.71Å; R491-E497 PolarHBondContact NH2-OE1 3.11Å; R491-E497 IonicContact NH2-OE2 3.77Å; I493-E497 HydrophobicContact CG2-CB 3.53Å; T494-E497 PolarHBondContact N-OE2 3.19Å; T494-E497 PolarHBondContact O-N 2.94Å; T494-E497 WeakPolarHBondContact OG1-CG 3.04Å; T494-E497 PolarHBondContact OG1-N 2.96Å; T494-E497 PolarHBondContact OG1-OE2 2.84Å; E497-Q500 PolarHBondContact O-N 3.41Å; E497-M501 HydrophobicContact CB-CE 4.04Å; E497-M501 VanDerWaalsContact O-CE 3.27Å; E497-M501 WeakPolarHBondContact O-CE 3.39Å; E497-M501 PolarHBondContact O-N 2.68Å
498	Y	93	Very high	88.9	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-46.2	176.1	-176	-101.1	0	0	0	112.2	H300 F479 T494 S495 G496 Q500 M501 S502 V516 L518 I532 M533	H300-Y498 AromaticContact CE1-CE1 3.76Å; H300-Y498 AromaticContact ND1-CE1 3.66Å; H300-Y498 AromaticContact ND1-CZ 3.64Å; H300-Y498 PolarHBondContact ND1-OH 3.16Å; F479-Y498 HydrophobicContact CD2-CD2 4.42Å; F479-Y498 AromaticContact CD2-CE2 3.84Å; F479-Y498 HydrophobicContact CD2-CE2 3.84Å; F479-Y498 HydrophobicContact CE1-CD2 4.11Å; F479-Y498 HydrophobicContact CE1-CE2 4.45Å; F479-Y498 AromaticContact CE2-CD2 3.84Å; F479-Y498 HydrophobicContact CE2-CD2 3.84Å; F479-Y498 AromaticContact CE2-CE2 3.41Å; F479-Y498 HydrophobicContact CE2-CE2 3.41Å; F479-Y498 VanDerWaalsContact CE2-CE2 3.41Å; F479-Y498 AromaticContact CZ-CD2 3.65Å; F479-Y498 HydrophobicContact CZ-CD2 3.65Å; F479-Y498 AromaticContact CZ-CE2 3.75Å; F479-Y498 HydrophobicContact CZ-CE2 3.75Å; T494-Y498 WeakPolarHBondContact O-CB 3.48Å; T494-Y498 PolarHBondContact O-N 3Å; S495-Y498 PolarHBondContact O-N 2.91Å; G496-Y498 VanDerWaalsContact C-N 3.32Å; G496-Y498 PolarHBondContact O-N 3.2Å; Y498-Q500 VanDerWaalsContact C-N 3.32Å; Y498-Q500 PolarHBondContact O-N 3.1Å; Y498-M501 PolarHBondContact O-N 2.86Å; Y498-S502 WeakPolarHBondContact O-CB 3.28Å; Y498-S502 PolarHBondContact O-N 2.64Å; Y498-S502 PolarHBondContact O-OG 2.64Å; Y498-V516 HydrophobicContact CE2-CG1 4.48Å; Y498-V516 WeakPolarHBondContact OH-CG1 3.48Å; Y498-L518 HydrophobicContact CE2-CD2 4.44Å; Y498-I532 HydrophobicContact CD1-CG2 4.37Å; Y498-I532 WeakPolarHBondContact CD1-O 3.46Å; Y498-I532 HydrophobicContact CD2-CG2 3.86Å; Y498-I532 HydrophobicContact CE2-CG2 4.45Å; Y498-I532 HydrophobicContact CG-CG2 3.8Å; Y498-M533 HydrophobicContact CE1-CB 4.33Å; Y498-M533 HydrophobicContact CE1-CG 4.1Å
499	I	89.3	Confident	89.3	Confident	34 Å²	34	37.5 Å²	37.5	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-41.4	177.2	-72.1	163.7	0	0	0	110.8	S495 G496 S502 G503 P537	S495-I499 WeakPolarHBondContact O-CB 3.43Å; S495-I499 WeakPolarHBondContact O-CD1 3.24Å; S495-I499 WeakPolarHBondContact O-CG1 3.4Å; S495-I499 PolarHBondContact O-N 2.7Å; G496-I499 PolarHBondContact O-N 2.95Å; I499-S502 PolarHBondContact O-OG 3.4Å; I499-G503 WeakPolarHBondContact O-CA 3.39Å; I499-G503 PolarHBondContact O-N 3.21Å; I499-P537 HydrophobicContact CD1-CB 4.44Å
500	Q	88.7	Confident	89.3	Confident	22 Å²	22	41.2 Å²	41.2	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-48.1	-179.8	-168.3	178.5	26.4	0	0	112	Y238 G496 E497 Y498	Y238-Q500 PolarHBondContact OH-NE2 3.08Å; G496-Q500 PolarHBondContact O-N 3.33Å; E497-Q500 PolarHBondContact O-N 3.41Å; Y498-Q500 VanDerWaalsContact C-N 3.32Å; Y498-Q500 PolarHBondContact O-N 3.1Å
501	M	91.7	Very high	89.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69	-47.1	178.8	-74.4	-176.8	-81	0	0	112.2	F373 F375 E464 A467 F479 I493 E497 Y498 G503 R504	F373-M501 HydrophobicContact CB-SD 4.29Å; F373-M501 HydrophobicContact CD1-CG 4.38Å; F373-M501 HydrophobicContact CD1-SD 4.17Å; F373-M501 HydrophobicContact CD2-CB 3.91Å; F373-M501 HydrophobicContact CD2-CG 4.24Å; F373-M501 HydrophobicContact CD2-SD 4.33Å; F373-M501 HydrophobicContact CE1-CG 4.29Å; F373-M501 HydrophobicContact CE2-CB 3.75Å; F373-M501 HydrophobicContact CE2-CG 4.16Å; F373-M501 WeakPolarHBondContact CE2-O 3.48Å; F373-M501 HydrophobicContact CG-CG 4.36Å; F373-M501 HydrophobicContact CG-SD 4.01Å; F373-M501 HydrophobicContact CZ-CB 4.2Å; F373-M501 HydrophobicContact CZ-CG 4.19Å; F375-M501 HydrophobicContact CE1-CE 3.93Å; F375-M501 HydrophobicContact CE1-SD 3.91Å; F375-M501 HydrophobicContact CZ-CE 4.08Å; F375-M501 HydrophobicContact CZ-SD 4.26Å; E464-M501 HydrophobicContact CB-SD 4.29Å; E464-M501 HydrophobicContact CG-SD 4.17Å; A467-M501 HydrophobicContact CB-CB 4.32Å; A467-M501 HydrophobicContact CB-CG 3.65Å; F479-M501 HydrophobicContact CD1-SD 4.41Å; F479-M501 HydrophobicContact CE1-CB 3.54Å; F479-M501 HydrophobicContact CE1-CE 3.79Å; F479-M501 HydrophobicContact CE1-CG 4.24Å; F479-M501 HydrophobicContact CE1-SD 3.71Å; F479-M501 HydrophobicContact CZ-CB 3.55Å; I493-M501 HydrophobicContact CG2-CE 3.92Å; E497-M501 HydrophobicContact CB-CE 4.04Å; E497-M501 VanDerWaalsContact O-CE 3.27Å; E497-M501 WeakPolarHBondContact O-CE 3.39Å; E497-M501 PolarHBondContact O-N 2.68Å; Y498-M501 PolarHBondContact O-N 2.86Å; M501-G503 VanDerWaalsContact C-N 3.29Å; M501-G503 PolarHBondContact O-N 3.48Å; M501-R504 WeakPolarHBondContact O-CB 3.44Å; M501-R504 WeakPolarHBondContact O-CG 3.49Å; M501-R504 PolarHBondContact O-N 2.63Å
502	S	92.1	Very high	89.4	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-28.4	179.8	64.8	0	0	0	0	112.7	Y498 I499 R504 A505	Y498-S502 WeakPolarHBondContact O-CB 3.28Å; Y498-S502 PolarHBondContact O-N 2.64Å; Y498-S502 PolarHBondContact O-OG 2.64Å; I499-S502 PolarHBondContact O-OG 3.4Å; S502-R504 PolarHBondContact O-N 2.96Å; S502-A505 WeakPolarHBondContact O-CB 3.49Å; S502-A505 PolarHBondContact O-N 3.03Å
503	G	88.7	Confident	89.3	Confident	5 Å²	5	36.3 Å²	36.3	5%	0.052	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.4	174.8	0	0	0	0	0	114.5	T145 R294 I499 M501 A505	T145-G503 WeakPolarHBondContact OG1-CA 3.3Å; R294-G503 PolarHBondContact NH2-O 2.73Å; I499-G503 WeakPolarHBondContact O-CA 3.39Å; I499-G503 PolarHBondContact O-N 3.21Å; M501-G503 VanDerWaalsContact C-N 3.29Å; M501-G503 PolarHBondContact O-N 3.48Å; G503-A505 VanDerWaalsContact C-N 3.29Å
504	R	89.8	Confident	89.3	Confident	16 Å²	16	36.1 Å²	36.1	6%	0.06	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.5	168.6	-56.2	-58.2	178.4	173.6	6.1	113.6	I371 F373 A467 L470 P473 A474 V477 M501 S502	I371-R504 HydrophobicContact CD1-CB 4Å; F373-R504 HydrophobicContact CZ-CG 4.36Å; A467-R504 PolarHBondContact O-NE 2.95Å; A467-R504 PolarHBondContact O-NH2 2.84Å; L470-R504 PolarHBondContact O-NH1 2.98Å; L470-R504 PolarHBondContact O-NH2 3.49Å; P473-R504 CarbonylContact C-O 3.56Å; P473-R504 WeakPolarHBondContact CA-O 3.49Å; A474-R504 PolarHBondContact N-O 3.39Å; A474-R504 VanDerWaalsContact O-O 3.09Å; V477-R504 HydrophobicContact CG2-CB 3.98Å; M501-R504 WeakPolarHBondContact O-CB 3.44Å; M501-R504 WeakPolarHBondContact O-CG 3.49Å; M501-R504 PolarHBondContact O-N 2.63Å; S502-R504 PolarHBondContact O-N 2.96Å
505	A	92	Very high	89.5	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-84.5	137.8	179.6	0	0	0	0	0	113	R294 L298 A474 V477 S502 G503 V516	R294-A505 PolarHBondContact NH1-O 3Å; R294-A505 PolarHBondContact NH2-O 3.43Å; L298-A505 HydrophobicContact CD2-CB 3.81Å; L298-A505 VanDerWaalsContact CD2-O 3.32Å; L298-A505 WeakPolarHBondContact CD2-O 3.28Å; A474-A505 CarbonylContact O-C 3.59Å; A474-A505 VanDerWaalsContact O-C 3.31Å; A474-A505 VanDerWaalsContact O-CA 3.32Å; A474-A505 WeakPolarHBondContact O-CA 3.09Å; V477-A505 HydrophobicContact CB-CB 4.08Å; V477-A505 HydrophobicContact CG2-CB 3.72Å; S502-A505 WeakPolarHBondContact O-CB 3.49Å; S502-A505 PolarHBondContact O-N 3.03Å; G503-A505 VanDerWaalsContact C-N 3.29Å; A505-V516 HydrophobicContact CB-CG2 3.86Å
506	G	90.6	Very high	89.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	82	120.8	-176.2	0	0	0	0	0	113.1	R294 A474 R475	R294-G506 PolarHBondContact NH2-O 3.13Å; A474-G506 PolarHBondContact O-N 2.82Å; R475-G506 PolarHBondContact O-N 3.43Å
507	R	88.2	Confident	90.1	Very high	38 Å²	38	32.7 Å²	32.7	14%	0.143	18%	0.177	C	C	.	.			trans	-98.5	121.9	179.3	-60.7	167.9	-64.3	179	0.8	110.5	P369 N455 P473 G509 K510 D511	P369-R507 VanDerWaalsContact CD-NH1 3.34Å; N455-R507 PolarHBondContact OD1-NH1 3.39Å; P473-R507 HydrophobicContact CB-CG 3.94Å; P473-R507 HydrophobicContact CG-CG 4.07Å; P473-R507 WeakPolarHBondContact O-CG 2.86Å; R507-G509 PolarHBondContact O-N 3.02Å; R507-K510 HydrophobicContact CB-CB 4.02Å; R507-K510 HydrophobicContact CB-CD 4.41Å; R507-K510 PolarHBondContact O-N 3.43Å; R507-D511 VanDerWaalsContact CB-OD2 3.26Å; R507-D511 WeakPolarHBondContact CB-OD2 3.29Å; R507-D511 WeakPolarHBondContact CG-OD2 3.46Å; R507-D511 IonicContact CZ-OD1 3.76Å; R507-D511 IonicContact CZ-OD2 3.8Å; R507-D511 PolarHBondContact N-OD2 2.93Å; R507-D511 IonicContact NE-OD1 2.72Å; R507-D511 IonicContact NE-OD2 3.81Å; R507-D511 PolarHBondContact NE-OD2 2.94Å; R507-D511 IonicContact NH2-OD1 2.72Å; R507-D511 PolarHBondContact NH2-OD1 3.23Å; R507-D511 IonicContact NH2-OD2 3.4Å; R507-D511 PolarHBondContact O-N 3.44Å
508	R	83.3	Confident	90.3	Very high	109 Å²	109	31.3 Å²	31.3	41%	0.411	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	125.8	178.5	-171.6	174.4	-179.9	156.2	4	110.4	D123 A147 P295 V296 K510	D123-R508 IonicContact OD1-NH2 2.69Å; D123-R508 PolarHBondContact OD1-NH2 3.48Å; D123-R508 IonicContact OD2-CZ 3.83Å; D123-R508 IonicContact OD2-NH1 3.91Å; D123-R508 PolarHBondContact OD2-NH1 2.98Å; D123-R508 IonicContact OD2-NH2 3.02Å; D123-R508 PolarHBondContact OD2-NH2 3.23Å; A147-R508 PolarHBondContact O-NH1 3.36Å; P295-R508 HydrophobicContact CB-CG 4.42Å; V296-R508 HydrophobicContact CG2-CB 4.45Å; R508-K510 VanDerWaalsContact C-N 3.27Å; R508-K510 PolarHBondContact O-N 3.16Å
509	G	83.2	Confident	90.4	Very high	83 Å²	83	31.3 Å²	31.3	86%	0.856	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-1.7	179.7	0	0	0	0	0	116	R507	R507-G509 PolarHBondContact O-N 3.02Å
510	K	84.7	Confident	90.4	Very high	140 Å²	140	29.8 Å²	29.8	61%	0.609	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-37.9	176.6	-66.5	-178.4	178.9	177.9	0	113.1	R507 R508	R507-K510 HydrophobicContact CB-CB 4.02Å; R507-K510 HydrophobicContact CB-CD 4.41Å; R507-K510 PolarHBondContact O-N 3.43Å; R508-K510 VanDerWaalsContact C-N 3.27Å; R508-K510 PolarHBondContact O-N 3.16Å
511	D	89.3	Confident	90.3	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.07	17%	0.166	C	C	.	.			trans	-118	137.3	-177.4	-51.5	-53.8	0	0	0	110.7	R475 R507	R475-D511 WeakPolarHBondContact CD-OD1 3.27Å; R475-D511 IonicContact NE-OD1 3.13Å; R507-D511 VanDerWaalsContact CB-OD2 3.26Å; R507-D511 WeakPolarHBondContact CB-OD2 3.29Å; R507-D511 WeakPolarHBondContact CG-OD2 3.46Å; R507-D511 IonicContact CZ-OD1 3.76Å; R507-D511 IonicContact CZ-OD2 3.8Å; R507-D511 PolarHBondContact N-OD2 2.93Å; R507-D511 IonicContact NE-OD1 2.72Å; R507-D511 IonicContact NE-OD2 3.81Å; R507-D511 PolarHBondContact NE-OD2 2.94Å; R507-D511 IonicContact NH2-OD1 2.72Å; R507-D511 PolarHBondContact NH2-OD1 3.23Å; R507-D511 IonicContact NH2-OD2 3.4Å; R507-D511 PolarHBondContact O-N 3.44Å
512	D	89.5	Confident	89.9	Confident	159 Å²	159	37.2 Å²	37.2	85%	0.85	20%	0.198	S	C	*	.	S	Bend	trans	-73.5	-28.2	176.7	-57.4	-35.7	0	0	0	112.7	P297	P297-D512 VanDerWaalsContact CD-O 3.32Å; P297-D512 WeakPolarHBondContact CD-O 3.37Å; P297-D512 WeakPolarHBondContact CG-O 3.16Å
513	S	90.6	Very high	89.5	Confident	20 Å²	20	39.4 Å²	39.4	14%	0.14	21%	0.214	C	C	.	.	S	Bend	trans	-151.8	147.7	176.2	53.4	0	0	0	0	110.8	P297	P297-S513 CarbonylContact O-C 3.54Å; P297-S513 WeakPolarHBondContact O-CA 3.29Å
514	G	92.4	Very high	89.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.2	171.9	0	0	0	0	0	111.2	P297 L298 R299	P297-G514 PolarHBondContact O-N 3.49Å; L298-G514 WeakPolarHBondContact CA-O 3.16Å; R299-G514 PolarHBondContact N-O 3.42Å
515	T	95.2	Very high	89.3	Confident	10 Å²	10	41.5 Å²	41.5	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128	178	-60.9	0	0	0	0	110.3	Y301 L367 R475 T476 V477 I517	Y301-T515 HydrophobicContact CD2-CG2 3.84Å; Y301-T515 HydrophobicContact CE2-CG2 3.85Å; L367-T515 HydrophobicContact CD1-CG2 4.47Å; R475-T515 PolarHBondContact O-N 3.08Å; R475-T515 VanDerWaalsContact O-N 3.07Å; T476-T515 CarbonylContact C-O 3.59Å; T476-T515 VanDerWaalsContact CA-O 3.23Å; T476-T515 WeakPolarHBondContact CA-O 3.48Å; T476-T515 HydrophobicContact CG2-CG2 4.08Å; V477-T515 PolarHBondContact N-O 2.87Å; T515-I517 HydrophobicContact CG2-CD1 4.42Å; T515-I517 HydrophobicContact CG2-CG1 4.09Å
516	V	95.2	Very high	88.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.1	176.1	-175.5	0	0	0	0	108.2	L298 R299 H300 Y301 V477 F479 Y498 A505	L298-V516 HydrophobicContact CD1-CG2 4.41Å; L298-V516 HydrophobicContact CD2-CG2 4.09Å; R299-V516 PolarHBondContact O-N 3.4Å; H300-V516 CarbonylContact C-O 3.54Å; H300-V516 VanDerWaalsContact CA-O 3.31Å; H300-V516 WeakPolarHBondContact CA-O 3.31Å; H300-V516 HydrophobicContact CB-CB 4.45Å; Y301-V516 PolarHBondContact N-O 3.45Å; V477-V516 CarbonylContact O-C 3.6Å; V477-V516 WeakPolarHBondContact O-CA 3.36Å; F479-V516 HydrophobicContact CD2-CG1 4.05Å; F479-V516 HydrophobicContact CE2-CG1 3.61Å; Y498-V516 HydrophobicContact CE2-CG1 4.48Å; Y498-V516 WeakPolarHBondContact OH-CG1 3.48Å; A505-V516 HydrophobicContact CB-CG2 3.86Å
517	I	95.1	Very high	88.7	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.7	179.4	-54.6	175.3	0	0	0	107.8	Y301 L310 I358 V362 T476 V477 L478 F479 T515	Y301-I517 CarbonylContact O-C 3.56Å; Y301-I517 WeakPolarHBondContact O-CA 3.14Å; L310-I517 HydrophobicContact CD2-CD1 4.18Å; L310-I517 HydrophobicContact CD2-CG1 4.35Å; L310-I517 HydrophobicContact CD2-CG2 3.69Å; I358-I517 HydrophobicContact CD1-CG2 4.46Å; I358-I517 HydrophobicContact CG2-CD1 3.68Å; I358-I517 HydrophobicContact CG2-CG2 4.42Å; V362-I517 HydrophobicContact CG2-CD1 4.11Å; T476-I517 HydrophobicContact CG2-CD1 4.2Å; T476-I517 HydrophobicContact CG2-CG1 4.5Å; V477-I517 PolarHBondContact O-N 2.94Å; L478-I517 CarbonylContact C-O 3.59Å; L478-I517 WeakPolarHBondContact CA-O 3.45Å; L478-I517 HydrophobicContact CD1-CB 3.77Å; L478-I517 HydrophobicContact CD1-CG2 3.64Å; F479-I517 PolarHBondContact N-O 3.27Å; T515-I517 HydrophobicContact CG2-CD1 4.42Å; T515-I517 HydrophobicContact CG2-CG1 4.09Å
518	L	94.5	Very high	88.8	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.9	177	177.7	63.2	0	0	0	109.7	Y301 L302 Y303 F479 A482 Y498 V520	Y301-L518 PolarHBondContact O-N 3.15Å; L302-L518 WeakPolarHBondContact CA-O 2.91Å; L302-L518 HydrophobicContact CD2-CB 3.86Å; L302-L518 HydrophobicContact CD2-CD2 3.98Å; L302-L518 HydrophobicContact CD2-CG 4.18Å; Y303-L518 PolarHBondContact N-O 2.89Å; F479-L518 HydrophobicContact CB-CD1 3.51Å; F479-L518 HydrophobicContact CD2-CD1 4.37Å; F479-L518 HydrophobicContact CG-CD1 4.05Å; A482-L518 HydrophobicContact CB-CD1 4.07Å; Y498-L518 HydrophobicContact CE2-CD2 4.44Å; L518-V520 HydrophobicContact CD2-CG1 4.11Å; L518-V520 HydrophobicContact CG-CG1 3.91Å
519	M	93.4	Very high	89	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.6	171.2	-67.9	174.4	58.1	0	0	109.8	Y303 V305 N354 V355 I358 L478 F479	Y303-M519 HydrophobicContact CD1-CG 4.29Å; Y303-M519 WeakPolarHBondContact O-CA 3.4Å; V305-M519 HydrophobicContact CG2-CB 4.17Å; V305-M519 HydrophobicContact CG2-CE 3.96Å; N354-M519 HydrophobicContact CB-CE 3.82Å; V355-M519 HydrophobicContact CG2-CE 4.06Å; V355-M519 HydrophobicContact CG2-SD 3.72Å; I358-M519 HydrophobicContact CD1-CG 3.84Å; I358-M519 HydrophobicContact CD1-SD 3.76Å; L478-M519 HydrophobicContact CD1-CG 4Å; L478-M519 HydrophobicContact CD1-SD 4.14Å; F479-M519 WeakPolarHBondContact O-CB 3.47Å; F479-M519 WeakPolarHBondContact O-CG 3.32Å; F479-M519 PolarHBondContact O-N 3.38Å
520	V	90.6	Very high	89.2	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.5	-177	-63.4	0	0	0	0	111.2	L302 Y303 V305 F331 L518 M524	L302-V520 HydrophobicContact CB-CG2 4.4Å; L302-V520 HydrophobicContact CD2-CG1 3.98Å; Y303-V520 PolarHBondContact O-N 3.46Å; V305-V520 WeakPolarHBondContact CG2-O 3.44Å; V305-V520 PolarHBondContact N-O 3.18Å; F331-V520 WeakPolarHBondContact CZ-O 3.4Å; L518-V520 HydrophobicContact CD2-CG1 4.11Å; L518-V520 HydrophobicContact CG-CG1 3.91Å; V520-M524 HydrophobicContact CB-CB 4.23Å; V520-M524 HydrophobicContact CB-CG 4.36Å; V520-M524 HydrophobicContact CG1-CG 4.17Å
521	D	86.6	Confident	89.5	Confident	31 Å²	31	43.5 Å²	43.5	17%	0.166	23%	0.226	C	C	.	.			trans	-107.1	177.1	174.6	67.2	23	0	0	0	111.5	F331 Y347 R483 S523 M524	F331-D521 VanDerWaalsContact CZ-C 3.48Å; Y347-D521 HydrophobicContact CE2-CB 4.11Å; R483-D521 IonicContact NH1-OD2 3.6Å; D521-S523 VanDerWaalsContact CG-OG 3.26Å; D521-S523 PolarHBondContact O-N 2.63Å; D521-S523 VanDerWaalsContact O-N 3.12Å; D521-S523 WeakPolarHBondContact OD1-CA 3.24Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 3.45Å; D521-S523 PolarHBondContact OD1-OG 3.08Å; D521-S523 PolarHBondContact OD2-OG 3.48Å; D521-M524 WeakPolarHBondContact O-CB 3.38Å; D521-M524 PolarHBondContact O-N 3.08Å; D521-M524 PolarHBondContact OD1-N 3.25Å
522	E	83.1	Confident	89.6	Confident	146 Å²	146	43.2 Å²	43.2	68%	0.682	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	179.3	-69.4	174.5	-164.6	0	0	114	F331 M524	F331-E522 HydrophobicContact CB-CG 3.8Å; F331-E522 HydrophobicContact CD1-CG 3.41Å; F331-E522 VanDerWaalsContact CD1-CG 3.41Å; F331-E522 HydrophobicContact CD2-CG 4.05Å; F331-E522 HydrophobicContact CE1-CG 3.89Å; F331-E522 HydrophobicContact CE2-CG 4.45Å; F331-E522 HydrophobicContact CG-CG 3.5Å; F331-E522 HydrophobicContact CZ-CG 4.38Å; E522-M524 VanDerWaalsContact C-N 3.32Å
523	S	83.4	Confident	89.6	Confident	50 Å²	50	36.1 Å²	36.1	35%	0.35	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.6	-175.9	72.7	0	0	0	0	113.7	R483 D521	R483-S523 PolarHBondContact NH1-OG 3.11Å; R483-S523 PolarHBondContact NH2-OG 3.33Å; D521-S523 VanDerWaalsContact CG-OG 3.26Å; D521-S523 PolarHBondContact O-N 2.63Å; D521-S523 VanDerWaalsContact O-N 3.12Å; D521-S523 WeakPolarHBondContact OD1-CA 3.24Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 3.45Å; D521-S523 PolarHBondContact OD1-OG 3.08Å; D521-S523 PolarHBondContact OD2-OG 3.48Å
524	M	86.7	Confident	89.3	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.02	20%	0.197	C	C	.	.			trans	-79.9	119	177.3	-169.4	58.7	159.4	0	0	111.3	M328 W492 V520 D521 E522 L528 A529 I532	M328-M524 WeakPolarHBondContact CE-O 3.41Å; W492-M524 HydrophobicContact CE3-SD 4.22Å; W492-M524 HydrophobicContact CH2-CB 4.48Å; W492-M524 HydrophobicContact CH2-SD 3.78Å; W492-M524 HydrophobicContact CZ2-SD 4.49Å; W492-M524 HydrophobicContact CZ3-SD 3.63Å; V520-M524 HydrophobicContact CB-CB 4.23Å; V520-M524 HydrophobicContact CB-CG 4.36Å; V520-M524 HydrophobicContact CG1-CG 4.17Å; D521-M524 WeakPolarHBondContact O-CB 3.38Å; D521-M524 PolarHBondContact O-N 3.08Å; D521-M524 PolarHBondContact OD1-N 3.25Å; E522-M524 VanDerWaalsContact C-N 3.32Å; M524-L528 HydrophobicContact CE-CB 4.31Å; M524-L528 HydrophobicContact SD-CB 3.85Å; M524-A529 HydrophobicContact CE-CB 3.71Å; M524-A529 HydrophobicContact CG-CB 4.38Å; M524-I532 HydrophobicContact CE-CD1 3.67Å; M524-I532 HydrophobicContact CE-CG1 4.47Å
525	T	86.8	Confident	89	Confident	61 Å²	61	39.2 Å²	39.2	37%	0.374	20%	0.203	S	C	.	.			trans	-91.9	164.3	174.6	78.8	0	0	0	0	111.6	E527 L528 A529	T525-E527 VanDerWaalsContact C-N 3.32Å; T525-E527 WeakPolarHBondContact CB-OE2 3.38Å; T525-E527 PolarHBondContact O-N 2.96Å; T525-E527 PolarHBondContact OG1-OE2 3.44Å; T525-L528 HydrophobicContact CG2-CD1 4.29Å; T525-L528 PolarHBondContact O-N 3.36Å; T525-L528 WeakPolarHBondContact OG1-CG 3.33Å; T525-L528 PolarHBondContact OG1-N 2.77Å; T525-A529 PolarHBondContact O-N 3.43Å
526	S	84.3	Confident	88.4	Confident	23 Å²	23	43.6 Å²	43.6	16%	0.161	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-39.9	178.9	-173.6	0	0	0	0	111.6	F324 L528 A529 H530	F324-S526 VanDerWaalsContact CE1-CB 3.46Å; F324-S526 VanDerWaalsContact CZ-CA 3.5Å; S526-L528 PolarHBondContact O-N 3.46Å; S526-A529 PolarHBondContact O-N 2.81Å; S526-H530 WeakPolarHBondContact O-CB 3.46Å; S526-H530 PolarHBondContact O-N 2.87Å
527	E	86.9	Confident	87.9	Confident	138 Å²	138	44.6 Å²	44.6	65%	0.645	24%	0.238	S	C	*	.	H	α-helix	trans	-63.5	-43.2	179.4	-54.3	77.3	-167.6	0	0	111.1	T525 H530 Q531	T525-E527 VanDerWaalsContact C-N 3.32Å; T525-E527 WeakPolarHBondContact CB-OE2 3.38Å; T525-E527 PolarHBondContact O-N 2.96Å; T525-E527 PolarHBondContact OG1-OE2 3.44Å; E527-H530 PolarHBondContact O-N 3.07Å; E527-Q531 WeakPolarHBondContact O-CB 3.47Å; E527-Q531 PolarHBondContact O-N 3Å
528	L	89	Confident	87.5	Confident	43 Å²	43	47 Å²	47	23%	0.225	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-43.6	176.7	-71.4	170.5	0	0	0	111.5	W492 M524 T525 S526 Q531 I532	W492-L528 HydrophobicContact CZ2-CD1 3.79Å; M524-L528 HydrophobicContact CE-CB 4.31Å; M524-L528 HydrophobicContact SD-CB 3.85Å; T525-L528 HydrophobicContact CG2-CD1 4.29Å; T525-L528 PolarHBondContact O-N 3.36Å; T525-L528 WeakPolarHBondContact OG1-CG 3.33Å; T525-L528 PolarHBondContact OG1-N 2.77Å; S526-L528 PolarHBondContact O-N 3.46Å; L528-Q531 PolarHBondContact O-N 3.23Å; L528-I532 WeakPolarHBondContact O-CG1 3.33Å; L528-I532 PolarHBondContact O-N 2.89Å
529	A	88	Confident	87.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-45.1	176.2	0	0	0	0	0	112.1	F324 M524 T525 S526 Q531 I532 M533	F324-A529 HydrophobicContact CD2-CB 3.89Å; F324-A529 HydrophobicContact CE2-CB 3.32Å; F324-A529 HydrophobicContact CZ-CB 4.04Å; M524-A529 HydrophobicContact CE-CB 3.71Å; M524-A529 HydrophobicContact CG-CB 4.38Å; T525-A529 PolarHBondContact O-N 3.43Å; S526-A529 PolarHBondContact O-N 2.81Å; A529-Q531 VanDerWaalsContact C-N 3.32Å; A529-Q531 PolarHBondContact O-N 3.05Å; A529-I532 PolarHBondContact O-N 2.78Å; A529-M533 WeakPolarHBondContact O-CB 3.42Å; A529-M533 VanDerWaalsContact O-CG 3.23Å; A529-M533 WeakPolarHBondContact O-CG 3.45Å; A529-M533 PolarHBondContact O-N 3.37Å
530	H	88.5	Confident	87.2	Confident	83 Å²	83	49.5 Å²	49.5	38%	0.384	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-42.6	175.2	-172.3	-87.1	0	0	0	111.2	Y319 S526 E527 M533 M534 G535	Y319-H530 AromaticContact CD1-CD2 3.83Å; Y319-H530 AromaticContact CG-CD2 3.77Å; S526-H530 WeakPolarHBondContact O-CB 3.46Å; S526-H530 PolarHBondContact O-N 2.87Å; E527-H530 PolarHBondContact O-N 3.07Å; H530-M533 PolarHBondContact O-N 3.36Å; H530-M534 CarbonylContact O-C 3.59Å; H530-M534 WeakPolarHBondContact O-CA 3.41Å; H530-M534 WeakPolarHBondContact O-CB 3.44Å; H530-M534 PolarHBondContact O-N 3.06Å; H530-G535 PolarHBondContact O-N 3.25Å
531	Q	90.1	Very high	87.2	Confident	125 Å²	125	53.5 Å²	53.5	58%	0.584	29%	0.291	S	S	*	.	H	α-helix	trans	-64.9	-42.1	177.9	-173.8	-179.8	1.6	0	0	113	E527 L528 A529 G535	E527-Q531 WeakPolarHBondContact O-CB 3.47Å; E527-Q531 PolarHBondContact O-N 3Å; L528-Q531 PolarHBondContact O-N 3.23Å; A529-Q531 VanDerWaalsContact C-N 3.32Å; A529-Q531 PolarHBondContact O-N 3.05Å; Q531-G535 WeakPolarHBondContact O-CA 3.41Å; Q531-G535 PolarHBondContact O-N 3.08Å
532	I	91.1	Very high	87.3	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-40.4	178.9	-66.4	-178.7	0	0	0	111	W492 I493 Y498 M524 L528 A529	W492-I532 HydrophobicContact CB-CD1 4.32Å; W492-I532 HydrophobicContact CE3-CD1 4.32Å; I493-I532 WeakPolarHBondContact O-CG1 3.46Å; Y498-I532 HydrophobicContact CD1-CG2 4.37Å; Y498-I532 WeakPolarHBondContact CD1-O 3.46Å; Y498-I532 HydrophobicContact CD2-CG2 3.86Å; Y498-I532 HydrophobicContact CE2-CG2 4.45Å; Y498-I532 HydrophobicContact CG-CG2 3.8Å; M524-I532 HydrophobicContact CE-CD1 3.67Å; M524-I532 HydrophobicContact CE-CG1 4.47Å; L528-I532 WeakPolarHBondContact O-CG1 3.33Å; L528-I532 PolarHBondContact O-N 2.89Å; A529-I532 PolarHBondContact O-N 2.78Å
533	M	89.3	Confident	87.5	Confident	11 Å²	11	47.1 Å²	47.1	5%	0.054	27%	0.266	C	S	.	.	H	α-helix	trans	-90.2	-36.9	-170.4	-61	178.2	66.2	0	0	114.1	H300 L302 V313 L314 Y498 A529 H530	H300-M533 HydrophobicContact CB-CE 3.15Å; L302-M533 HydrophobicContact CD2-SD 4.31Å; V313-M533 HydrophobicContact CG2-CE 3.47Å; V313-M533 VanDerWaalsContact CG2-CE 3.47Å; V313-M533 HydrophobicContact CG2-SD 3.9Å; L314-M533 HydrophobicContact CB-CE 3.83Å; L314-M533 HydrophobicContact CD2-CB 4.29Å; L314-M533 HydrophobicContact CD2-CE 4.16Å; Y498-M533 HydrophobicContact CE1-CB 4.33Å; Y498-M533 HydrophobicContact CE1-CG 4.1Å; A529-M533 WeakPolarHBondContact O-CB 3.42Å; A529-M533 VanDerWaalsContact O-CG 3.23Å; A529-M533 WeakPolarHBondContact O-CG 3.45Å; A529-M533 PolarHBondContact O-N 3.37Å; H530-M533 PolarHBondContact O-N 3.36Å
534	M	85.7	Confident	87.7	Confident	73 Å²	73	45.3 Å²	45.3	36%	0.36	25%	0.252	S	S	.	.	H	α-helix	trans	-123.5	-3.2	-173.9	-69.2	-65.4	-74.2	0	0	113	L314 G317 H530	L314-M534 HydrophobicContact CD1-CE 4.26Å; L314-M534 HydrophobicContact CD1-CG 4.01Å; L314-M534 HydrophobicContact CD1-SD 3.48Å; L314-M534 WeakPolarHBondContact CD1-SD 3.38Å; L314-M534 HydrophobicContact CD2-CG 3.99Å; L314-M534 HydrophobicContact CD2-SD 3.52Å; L314-M534 VanDerWaalsContact CD2-SD 3.52Å; L314-M534 HydrophobicContact CG-SD 4.15Å; G317-M534 WeakPolarHBondContact O-CE 2.82Å; H530-M534 CarbonylContact O-C 3.59Å; H530-M534 WeakPolarHBondContact O-CA 3.41Å; H530-M534 WeakPolarHBondContact O-CB 3.44Å; H530-M534 PolarHBondContact O-N 3.06Å
535	G	85.1	Confident	87.8	Confident	11 Å²	11	47.9 Å²	47.9	11%	0.113	26%	0.264	C	S	.	.	S	Bend	trans	-63.4	146.2	175.8	0	0	0	0	0	110.8	S495 H530 Q531	S495-G535 VanDerWaalsContact CB-O 3.3Å; S495-G535 WeakPolarHBondContact CB-O 3.16Å; H530-G535 PolarHBondContact O-N 3.25Å; Q531-G535 WeakPolarHBondContact O-CA 3.41Å; Q531-G535 PolarHBondContact O-N 3.08Å
536	P	83.5	Confident	87.9	Confident	103 Å²	103	45 Å²	45	67%	0.669	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-59.4	143.8	173.6	26.8	-33.7	0	0	0	109.1	S495	S495-P536 PolarHBondContact OG-O 3.12Å
537	P	85	Confident	88.2	Confident	20 Å²	20	45.6 Å²	45.6	13%	0.13	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-56.2	150.3	167.8	25.1	-32.8	0	0	0	109.1	P269 I499	P269-P537 WeakPolarHBondContact CG-O 3.39Å; I499-P537 HydrophobicContact CD1-CB 4.44Å
538	P	86.2	Confident	88.5	Confident	52 Å²	52	40.3 Å²	40.3	34%	0.338	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-57.8	148.6	177.1	21.3	-28.8	0	0	0	110.2	R240 P269	R240-P538 PolarHBondContact NH1-O 2.82Å; P269-P538 WeakPolarHBondContact CD-O 3.46Å
539	P	90.4	Very high	88.6	Confident	57 Å²	57	39.3 Å²	39.3	37%	0.37	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-58.6	150.8	170.6	26.9	-33.4	0	0	0	110.7	R240 P269 N270 N541	R240-P539 WeakPolarHBondContact CD-O 3.19Å; P269-P539 HydrophobicContact CG-CB 4.17Å; N270-P539 HydrophobicContact CB-CB 4.46Å; N270-P539 WeakPolarHBondContact OD1-CA 3.37Å; P539-N541 PolarHBondContact O-N 2.78Å
540	L	90.2	Very high	88.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.			trans	-65.3	101.2	162.9	-171.5	75.9	0	0	0	106.8	M239 R240 I268 N270 F274 F570 Q574	M239-L540 HydrophobicContact CB-CD1 4.14Å; M239-L540 HydrophobicContact CE-CD1 4.42Å; M239-L540 HydrophobicContact CE-CD2 3.91Å; M239-L540 HydrophobicContact CE-CG 4.05Å; R240-L540 HydrophobicContact CG-CD1 3.53Å; R240-L540 HydrophobicContact CG-CG 4.41Å; I268-L540 HydrophobicContact CG2-CB 3.7Å; N270-L540 PolarHBondContact ND2-O 2.69Å; N270-L540 PolarHBondContact OD1-N 3.19Å; F274-L540 HydrophobicContact CB-CD2 4.02Å; F274-L540 HydrophobicContact CD2-CD2 3.29Å; F274-L540 HydrophobicContact CE2-CD2 3.93Å; F274-L540 HydrophobicContact CG-CD2 3.87Å; L540-F570 HydrophobicContact CD2-CE1 4.19Å; L540-F570 HydrophobicContact CD2-CZ 4.48Å; L540-F570 HydrophobicContact CG-CE1 4.17Å; L540-F570 VanDerWaalsContact O-CE1 3.31Å; L540-F570 WeakPolarHBondContact O-CE1 3.38Å; L540-Q574 PolarHBondContact O-NE2 2.97Å
541	N	90.8	Very high	88.9	Confident	85 Å²	85	35.4 Å²	35.4	46%	0.455	20%	0.2	S	C	.	.			trans	-105	147.5	169	-68.9	-19.8	0	0	0	108.3	P539 Q574	P539-N541 PolarHBondContact O-N 2.78Å; N541-Q574 PolarHBondContact OD1-NE2 3.34Å
542	S	90.2	Very high	89.1	Confident	24 Å²	24	29.5 Å²	29.5	17%	0.168	17%	0.172	C	C	.	.			trans	-61.3	136.5	175.2	177.4	0	0	0	0	111.3	E249 F544 C571 Q574	E249-S542 WeakPolarHBondContact OE1-CA 3.45Å; E249-S542 WeakPolarHBondContact OE1-CB 3.15Å; E249-S542 PolarHBondContact OE1-OG 3.44Å; E249-S542 PolarHBondContact OE2-OG 2.93Å; S542-F544 WeakPolarHBondContact OG-CB 3.3Å; S542-F544 PolarHBondContact OG-N 2.86Å; S542-F544 VanDerWaalsContact OG-N 3.08Å; S542-C571 VanDerWaalsContact CB-CA 3.49Å; S542-C571 VanDerWaalsContact CB-N 3.26Å; S542-C571 WeakPolarHBondContact OG-CB 3.41Å; S542-C571 PolarHBondContact OG-N 3.16Å; S542-Q574 VanDerWaalsContact N-OE1 3.12Å
543	A	85.6	Confident	89	Confident	19 Å²	19	29.5 Å²	29.5	16%	0.157	17%	0.173	C	C	.	.			trans	-101.7	18.6	168.5	0	0	0	0	0	111.3	D241 E249 H545	D241-A543 VanDerWaalsContact O-CB 3.31Å; D241-A543 WeakPolarHBondContact O-CB 3.5Å; E249-A543 PolarHBondContact OE1-N 2.87Å; A543-H545 PolarHBondContact O-N 3.45Å; A543-H545 PolarHBondContact O-ND1 3.19Å
544	F	88	Confident	89.1	Confident	12 Å²	12	29 Å²	29	5%	0.053	17%	0.17	C	C	.	.			trans	-61.6	125.1	-175.9	-175.2	-94.8	0	0	0	111.5	V246 S542 I546 M550 M565 M566 C571 Q843	V246-F544 HydrophobicContact CG2-CD2 4.15Å; S542-F544 WeakPolarHBondContact OG-CB 3.3Å; S542-F544 PolarHBondContact OG-N 2.86Å; S542-F544 VanDerWaalsContact OG-N 3.08Å; F544-I546 HydrophobicContact CE1-CG1 4.31Å; F544-M550 HydrophobicContact CE2-CE 3.85Å; F544-M550 HydrophobicContact CE2-SD 4.44Å; F544-M550 HydrophobicContact CZ-CE 3.43Å; F544-M550 VanDerWaalsContact CZ-CE 3.43Å; F544-M550 HydrophobicContact CZ-SD 4.26Å; F544-M565 HydrophobicContact CE2-CG 4.22Å; F544-M565 HydrophobicContact CZ-CG 4.4Å; F544-M566 HydrophobicContact CE1-CG 4.06Å; F544-M566 HydrophobicContact CZ-CG 4.09Å; F544-C571 HydrophobicContact CB-CB 4.16Å; F544-Q843 PolarHBondContact O-NE2 3.12Å
545	H	88.3	Confident	89.2	Confident	59 Å²	59	27 Å²	27	27%	0.273	16%	0.161	S	C	.	.			trans	-144	144.3	173.8	60.6	-83.6	0	0	0	108.5	P242 A543 T547	P242-H545 PolarHBondContact O-CE1 3.09Å; A543-H545 PolarHBondContact O-N 3.45Å; A543-H545 PolarHBondContact O-ND1 3.19Å; H545-T547 WeakPolarHBondContact NE2-CG2 3.46Å; H545-T547 PolarHBondContact O-N 3.48Å
546	I	90.3	Very high	89.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.			trans	-77.7	122.5	-176.7	-55.5	176.3	0	0	0	108.2	F544 M550 L551 M566 Q843 L847 R850	F544-I546 HydrophobicContact CE1-CG1 4.31Å; I546-M550 HydrophobicContact CG2-SD 4.28Å; I546-L551 HydrophobicContact CG2-CD1 3.73Å; I546-L551 HydrophobicContact CG2-CD2 3.65Å; I546-L551 HydrophobicContact CG2-CG 3.62Å; I546-M566 HydrophobicContact CD1-CE 3.76Å; I546-M566 HydrophobicContact CD1-SD 3.71Å; I546-Q843 HydrophobicContact CD1-CB 3.81Å; I546-Q843 HydrophobicContact CG1-CB 4.42Å; I546-L847 HydrophobicContact CD1-CB 3.72Å; I546-L847 HydrophobicContact CD1-CD1 4.43Å; I546-R850 PolarHBondContact O-NE 2.94Å; I546-R850 VanDerWaalsContact O-NE 3.08Å; I546-R850 PolarHBondContact O-NH1 3.35Å; I546-R850 PolarHBondContact O-NH2 3.25Å
547	T	90.3	Very high	89	Confident	35 Å²	35	27.3 Å²	27.3	22%	0.215	15%	0.15	C	C	.	.			trans	-106.3	157.8	173.3	65.2	0	0	0	0	110.5	H545 N549 M550 L551	H545-T547 WeakPolarHBondContact NE2-CG2 3.46Å; H545-T547 PolarHBondContact O-N 3.48Å; T547-N549 VanDerWaalsContact C-N 3.3Å; T547-M550 PolarHBondContact O-N 2.83Å; T547-M550 WeakPolarHBondContact OG1-CB 3.27Å; T547-M550 PolarHBondContact OG1-N 3.18Å; T547-M550 VanDerWaalsContact OG1-N 3.14Å; T547-L551 WeakPolarHBondContact O-CG 3.28Å; T547-L551 PolarHBondContact O-N 2.95Å; T547-L551 VanDerWaalsContact O-N 3.14Å
548	Y	93.6	Very high	88.2	Confident	28 Å²	28	35.9 Å²	35.9	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-36.6	175.7	-69.8	-66.6	0	0	0	111.2	M550 L551 L552 R850 V853 L854 E881 L882 L947	Y548-M550 PolarHBondContact O-N 3.41Å; Y548-L551 PolarHBondContact O-N 2.81Å; Y548-L552 WeakPolarHBondContact O-CB 3.34Å; Y548-L552 VanDerWaalsContact O-CG 3.29Å; Y548-L552 WeakPolarHBondContact O-CG 3.26Å; Y548-L552 PolarHBondContact O-N 3.07Å; Y548-R850 HydrophobicContact CD1-CB 4.29Å; Y548-R850 HydrophobicContact CE1-CB 3.73Å; Y548-R850 HydrophobicContact CE1-CG 3.85Å; Y548-V853 HydrophobicContact CE1-CB 4.21Å; Y548-V853 HydrophobicContact CE1-CG1 4.23Å; Y548-V853 WeakPolarHBondContact OH-CG1 3.49Å; Y548-L854 HydrophobicContact CD1-CD1 4.27Å; Y548-L854 HydrophobicContact CD1-CD2 3.73Å; Y548-L854 HydrophobicContact CD1-CG 3.91Å; Y548-L854 HydrophobicContact CE1-CD2 4.25Å; Y548-L854 HydrophobicContact CE1-CG 4.19Å; Y548-E881 VanDerWaalsContact C-OE1 3.28Å; Y548-E881 WeakPolarHBondContact CB-OE1 3.48Å; Y548-L882 HydrophobicContact CD1-CD1 4.13Å; Y548-L882 HydrophobicContact CD2-CD1 3.5Å; Y548-L882 HydrophobicContact CD2-CG 4.09Å; Y548-L882 HydrophobicContact CE1-CD1 4.11Å; Y548-L882 HydrophobicContact CE2-CD1 3.49Å; Y548-L882 VanDerWaalsContact CE2-CD1 3.49Å; Y548-L882 HydrophobicContact CG-CD1 3.83Å; Y548-L882 HydrophobicContact CG-CD2 4.41Å; Y548-L882 HydrophobicContact CG-CG 4.22Å; Y548-L947 VanDerWaalsContact OH-CD2 3.25Å; Y548-L947 WeakPolarHBondContact OH-CD2 3.16Å
549	N	91	Very high	87.4	Confident	22 Å²	22	42.2 Å²	42.2	12%	0.118	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-47.4	175.6	-171.7	-87.4	0	0	0	112.1	T547 L552 N553 I876 E881	T547-N549 VanDerWaalsContact C-N 3.3Å; N549-L552 PolarHBondContact O-N 3.25Å; N549-N553 WeakPolarHBondContact O-CB 3.45Å; N549-N553 PolarHBondContact O-N 2.9Å; N549-N553 PolarHBondContact O-ND2 3.48Å; N549-N553 PolarHBondContact OD1-ND2 3.22Å; N549-I876 PolarHBondContact ND2-O 3.06Å; N549-E881 WeakPolarHBondContact CA-OE1 3.4Å; N549-E881 WeakPolarHBondContact CB-OE1 3.15Å; N549-E881 PolarHBondContact N-OE1 3.46Å
550	M	90.3	Very high	86.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-52.1	172.6	172.8	-156.4	171.8	0	0	110.5	E250 F544 I546 T547 Y548 L552 N553 L554 M565	E250-M550 WeakPolarHBondContact OE1-CB 3.36Å; E250-M550 VanDerWaalsContact OE1-CG 3.23Å; E250-M550 WeakPolarHBondContact OE1-CG 3.43Å; F544-M550 HydrophobicContact CE2-CE 3.85Å; F544-M550 HydrophobicContact CE2-SD 4.44Å; F544-M550 HydrophobicContact CZ-CE 3.43Å; F544-M550 VanDerWaalsContact CZ-CE 3.43Å; F544-M550 HydrophobicContact CZ-SD 4.26Å; I546-M550 HydrophobicContact CG2-SD 4.28Å; T547-M550 PolarHBondContact O-N 2.83Å; T547-M550 WeakPolarHBondContact OG1-CB 3.27Å; T547-M550 PolarHBondContact OG1-N 3.18Å; T547-M550 VanDerWaalsContact OG1-N 3.14Å; Y548-M550 PolarHBondContact O-N 3.41Å; M550-L552 PolarHBondContact O-N 3.48Å; M550-N553 PolarHBondContact O-N 2.94Å; M550-L554 HydrophobicContact CE-CD1 3.75Å; M550-L554 HydrophobicContact CG-CD1 3.69Å; M550-L554 HydrophobicContact CG-CG 4.38Å; M550-L554 WeakPolarHBondContact O-CB 3.34Å; M550-L554 WeakPolarHBondContact O-CG 3.37Å; M550-L554 PolarHBondContact O-N 2.81Å; M550-M565 HydrophobicContact CE-CB 4.08Å; M550-M565 HydrophobicContact CE-CG 3.72Å; M550-M565 HydrophobicContact CE-SD 3.26Å; M550-M565 WeakPolarHBondContact CE-SD 3.48Å; M550-M565 HydrophobicContact CG-SD 3.99Å; M550-M565 HydrophobicContact SD-SD 4.26Å
551	L	92.5	Very high	86.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-46.9	-178.3	-67.7	179.9	0	0	0	112.8	I546 T547 Y548 L554 L555 P562 L847 R850 L854	I546-L551 HydrophobicContact CG2-CD1 3.73Å; I546-L551 HydrophobicContact CG2-CD2 3.65Å; I546-L551 HydrophobicContact CG2-CG 3.62Å; T547-L551 WeakPolarHBondContact O-CG 3.28Å; T547-L551 PolarHBondContact O-N 2.95Å; T547-L551 VanDerWaalsContact O-N 3.14Å; Y548-L551 PolarHBondContact O-N 2.81Å; L551-L554 PolarHBondContact O-N 2.88Å; L551-L555 WeakPolarHBondContact O-CB 3.3Å; L551-L555 WeakPolarHBondContact O-CG 3.32Å; L551-L555 PolarHBondContact O-N 3.28Å; L551-P562 HydrophobicContact CD2-CB 3.85Å; L551-P562 HydrophobicContact CD2-CG 4.14Å; L551-L847 HydrophobicContact CD1-CD1 4.28Å; L551-L847 HydrophobicContact CD2-CD1 3.23Å; L551-L847 HydrophobicContact CG-CD1 4.39Å; L551-R850 HydrophobicContact CD1-CB 3.49Å; L551-R850 VanDerWaalsContact CD1-CB 3.49Å; L551-R850 HydrophobicContact CD1-CG 4.39Å; L551-L854 HydrophobicContact CB-CD1 4.17Å; L551-L854 HydrophobicContact CD1-CD1 4.32Å
552	L	93.1	Very high	86	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-43.5	-179.2	-71	168.6	0	0	0	111.5	Y548 N549 M550 L555 R556 L854 F859 V860 A873 E881	Y548-L552 WeakPolarHBondContact O-CB 3.34Å; Y548-L552 VanDerWaalsContact O-CG 3.29Å; Y548-L552 WeakPolarHBondContact O-CG 3.26Å; Y548-L552 PolarHBondContact O-N 3.07Å; N549-L552 PolarHBondContact O-N 3.25Å; M550-L552 PolarHBondContact O-N 3.48Å; L552-L555 PolarHBondContact O-N 3.34Å; L552-R556 PolarHBondContact O-N 2.86Å; L552-R556 VanDerWaalsContact O-N 3.15Å; L552-L854 HydrophobicContact CD2-CD1 4.18Å; L552-L854 HydrophobicContact CD2-CD2 4.16Å; L552-L854 HydrophobicContact CG-CD1 4.4Å; L552-L854 HydrophobicContact CG-CD2 4.39Å; L552-F859 HydrophobicContact CD1-CD1 4.41Å; L552-F859 HydrophobicContact CD2-CB 4.29Å; L552-V860 HydrophobicContact CD2-CG2 4.09Å; L552-A873 HydrophobicContact CD1-CB 3.61Å; L552-E881 HydrophobicContact CD1-CG 4.29Å
553	N	90.5	Very high	85.8	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-38.1	177.8	-79.8	-57.5	0	0	0	112.5	Y219 N549 M550 R556 V557	Y219-N553 HydrophobicContact CD1-CB 3.63Å; Y219-N553 HydrophobicContact CD2-CB 4.01Å; Y219-N553 HydrophobicContact CE1-CB 3.78Å; Y219-N553 HydrophobicContact CE2-CB 4.15Å; Y219-N553 HydrophobicContact CG-CB 3.76Å; N549-N553 WeakPolarHBondContact O-CB 3.45Å; N549-N553 PolarHBondContact O-N 2.9Å; N549-N553 PolarHBondContact O-ND2 3.48Å; N549-N553 PolarHBondContact OD1-ND2 3.22Å; M550-N553 PolarHBondContact O-N 2.94Å; N553-R556 WeakPolarHBondContact O-CB 3.44Å; N553-R556 PolarHBondContact O-N 2.97Å; N553-V557 PolarHBondContact O-N 3.2Å
554	L	89.7	Confident	85.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-44	175.7	-68.4	173.4	0	0	0	111.8	Y219 L254 M550 L551 R556 V557 I560 P562 M565	Y219-L554 HydrophobicContact CE1-CD2 3.99Å; Y219-L554 HydrophobicContact CE1-CG 4.34Å; L254-L554 HydrophobicContact CD2-CD2 4.43Å; M550-L554 HydrophobicContact CE-CD1 3.75Å; M550-L554 HydrophobicContact CG-CD1 3.69Å; M550-L554 HydrophobicContact CG-CG 4.38Å; M550-L554 WeakPolarHBondContact O-CB 3.34Å; M550-L554 WeakPolarHBondContact O-CG 3.37Å; M550-L554 PolarHBondContact O-N 2.81Å; L551-L554 PolarHBondContact O-N 2.88Å; L554-R556 PolarHBondContact O-N 3.45Å; L554-R556 VanDerWaalsContact O-N 3.13Å; L554-V557 PolarHBondContact O-N 2.89Å; L554-I560 HydrophobicContact CD2-CB 4.44Å; L554-I560 HydrophobicContact CD2-CG2 3.75Å; L554-P562 HydrophobicContact CB-CG 4.3Å; L554-P562 HydrophobicContact CD1-CB 4.37Å; L554-M565 HydrophobicContact CD1-CB 4.05Å; L554-M565 HydrophobicContact CD1-CG 4.47Å; L554-M565 HydrophobicContact CD1-SD 3.59Å; L554-M565 VanDerWaalsContact CD1-SD 3.59Å; L554-M565 HydrophobicContact CD2-CE 4.01Å; L554-M565 HydrophobicContact CD2-SD 4.14Å; L554-M565 HydrophobicContact CG-SD 4.36Å
555	L	89.6	Confident	85.7	Confident	32 Å²	32	46.1 Å²	46.1	17%	0.168	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-18.3	175.2	-68.9	176	0	0	0	113.1	L551 L552 P562 V860 D864	L551-L555 WeakPolarHBondContact O-CB 3.3Å; L551-L555 WeakPolarHBondContact O-CG 3.32Å; L551-L555 PolarHBondContact O-N 3.28Å; L552-L555 PolarHBondContact O-N 3.34Å; L555-P562 HydrophobicContact CD2-CG 4.06Å; L555-P562 HydrophobicContact CG-CG 4.37Å; L555-V860 HydrophobicContact CD1-CG1 4.12Å; L555-V860 HydrophobicContact CD1-CG2 3.87Å; L555-D864 HydrophobicContact CD2-CB 4.3Å
556	R	84	Confident	85.6	Confident	79 Å²	79	43.4 Å²	43.4	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-77.7	-24.2	172.6	-160.9	-180	81.5	175.7	0.1	112.8	Y219 L552 N553 L554 I866 E875	Y219-R556 PolarHBondContact O-NH2 3.25Å; L552-R556 PolarHBondContact O-N 2.86Å; L552-R556 VanDerWaalsContact O-N 3.15Å; N553-R556 WeakPolarHBondContact O-CB 3.44Å; N553-R556 PolarHBondContact O-N 2.97Å; L554-R556 PolarHBondContact O-N 3.45Å; L554-R556 VanDerWaalsContact O-N 3.13Å; R556-I866 HydrophobicContact CB-CD1 4.32Å; R556-E875 IonicContact NH1-OE1 2.86Å
557	V	79.7	Confident	85.4	Confident	42 Å²	42	48 Å²	48	26%	0.255	23%	0.228	S	C	.	.	S	Bend	trans	-93.6	111.1	-178.9	-178.2	0	0	0	0	109.1	N553 L554 E559 I560	N553-V557 PolarHBondContact O-N 3.2Å; L554-V557 PolarHBondContact O-N 2.89Å; V557-E559 PolarHBondContact O-N 3.48Å; V557-I560 HydrophobicContact CB-CB 4.41Å; V557-I560 HydrophobicContact CB-CG1 4.5Å; V557-I560 HydrophobicContact CG1-CB 4.19Å; V557-I560 HydrophobicContact CG1-CD1 3.88Å; V557-I560 HydrophobicContact CG1-CG1 3.78Å; V557-I560 PolarHBondContact O-N 3.41Å
558	E	68.4	Low	85.3	Confident	199 Å²	199	50 Å²	50	93%	0.93	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.2	-173.8	-65.2	-176.1	169.5	0	0	114.5
559	E	68.1	Low	85.1	Confident	185 Å²	185	48.9 Å²	48.9	86%	0.864	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.6	-175.2	-63.7	-177.6	172.9	0	0	114.2	V557	V557-E559 PolarHBondContact O-N 3.48Å
560	I	75.5	Confident	85.1	Confident	33 Å²	33	47.8 Å²	47.8	17%	0.169	22%	0.222	C	C	.	.			trans	-120.1	105.7	-167.5	-51.6	-179.7	0	0	0	110.9	L254 L554 V557 Y564	L254-I560 HydrophobicContact CD2-CD1 3.48Å; L254-I560 VanDerWaalsContact CD2-CD1 3.48Å; L554-I560 HydrophobicContact CD2-CB 4.44Å; L554-I560 HydrophobicContact CD2-CG2 3.75Å; V557-I560 HydrophobicContact CB-CB 4.41Å; V557-I560 HydrophobicContact CB-CG1 4.5Å; V557-I560 HydrophobicContact CG1-CB 4.19Å; V557-I560 HydrophobicContact CG1-CD1 3.88Å; V557-I560 HydrophobicContact CG1-CG1 3.78Å; V557-I560 PolarHBondContact O-N 3.41Å; I560-Y564 HydrophobicContact CG2-CD1 3.8Å; I560-Y564 HydrophobicContact CG2-CE1 4.47Å; I560-Y564 HydrophobicContact CG2-CG 4.4Å
561	N	81.9	Confident	85	Confident	105 Å²	105	49 Å²	49	56%	0.561	23%	0.23	S	C	*	.			trans	-75.1	143.9	170	-70.8	-33.6	0	0	0	110.7	E563 Y564	N561-E563 PolarHBondContact O-N 2.89Å; N561-E563 VanDerWaalsContact O-N 3.13Å; N561-Y564 WeakPolarHBondContact O-CA 3.32Å; N561-Y564 WeakPolarHBondContact O-CB 3.35Å; N561-Y564 PolarHBondContact O-N 3.32Å
562	P	85.3	Confident	84.7	Confident	1 Å²	1	49 Å²	49	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-51.8	-35.9	171.9	-28.7	35.8	0	0	0	113.6	L551 L554 L555 Y564 M565 M566 L847	L551-P562 HydrophobicContact CD2-CB 3.85Å; L551-P562 HydrophobicContact CD2-CG 4.14Å; L554-P562 HydrophobicContact CB-CG 4.3Å; L554-P562 HydrophobicContact CD1-CB 4.37Å; L555-P562 HydrophobicContact CD2-CG 4.06Å; L555-P562 HydrophobicContact CG-CG 4.37Å; P562-Y564 VanDerWaalsContact C-N 3.3Å; P562-Y564 PolarHBondContact O-N 3Å; P562-M565 PolarHBondContact O-N 3.18Å; P562-M566 WeakPolarHBondContact O-CG 3.38Å; P562-M566 PolarHBondContact O-N 3.33Å; P562-M566 VanDerWaalsContact O-N 3.12Å; P562-L847 HydrophobicContact CB-CD1 3.84Å; P562-L847 HydrophobicContact CB-CD2 4.29Å
563	E	86.4	Confident	84.5	Confident	55 Å²	55	49.3 Å²	49.3	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-36.8	175.4	-64.4	80.8	178.8	0	0	112.1	N561 M565 M566 E567 L847 K851	N561-E563 PolarHBondContact O-N 2.89Å; N561-E563 VanDerWaalsContact O-N 3.13Å; E563-M565 VanDerWaalsContact C-N 3.31Å; E563-M565 PolarHBondContact O-N 3.49Å; E563-M566 PolarHBondContact O-N 3.39Å; E563-E567 WeakPolarHBondContact O-CB 3.17Å; E563-E567 WeakPolarHBondContact O-CG 3.21Å; E563-E567 PolarHBondContact O-N 2.83Å; E563-L847 HydrophobicContact CG-CD2 3.92Å; E563-K851 IonicContact OE1-NZ 3.42Å; E563-K851 PolarHBondContact OE1-NZ 3.37Å; E563-K851 IonicContact OE2-NZ 3.74Å
564	Y	85.2	Confident	84.4	Confident	84 Å²	84	50.3 Å²	50.3	33%	0.329	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-42.1	175.4	171.3	-83.3	0	0	0	111.5	V253 I560 N561 P562 R568	V253-Y564 HydrophobicContact CG1-CE1 4.3Å; I560-Y564 HydrophobicContact CG2-CD1 3.8Å; I560-Y564 HydrophobicContact CG2-CE1 4.47Å; I560-Y564 HydrophobicContact CG2-CG 4.4Å; N561-Y564 WeakPolarHBondContact O-CA 3.32Å; N561-Y564 WeakPolarHBondContact O-CB 3.35Å; N561-Y564 PolarHBondContact O-N 3.32Å; P562-Y564 VanDerWaalsContact C-N 3.3Å; P562-Y564 PolarHBondContact O-N 3Å; Y564-R568 VanDerWaalsContact CZ-CD 3.48Å; Y564-R568 PolarHBondContact O-N 3.47Å; Y564-R568 PolarHBondContact OH-NE 2.86Å
565	M	86.4	Confident	84.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-39.7	179.1	-175.6	170.1	-100.7	0	0	111.3	E250 V253 L254 F544 M550 L554 P562 E563 R568 S569	E250-M565 HydrophobicContact CB-CE 3.64Å; E250-M565 HydrophobicContact CB-SD 4.33Å; E250-M565 HydrophobicContact CG-CE 3.68Å; E250-M565 HydrophobicContact CG-SD 3.68Å; V253-M565 HydrophobicContact CG1-CG 4.45Å; L254-M565 HydrophobicContact CD1-CE 3.77Å; L254-M565 HydrophobicContact CD2-CE 3.89Å; L254-M565 HydrophobicContact CG-CE 3.63Å; F544-M565 HydrophobicContact CE2-CG 4.22Å; F544-M565 HydrophobicContact CZ-CG 4.4Å; M550-M565 HydrophobicContact CE-CB 4.08Å; M550-M565 HydrophobicContact CE-CG 3.72Å; M550-M565 HydrophobicContact CE-SD 3.26Å; M550-M565 WeakPolarHBondContact CE-SD 3.48Å; M550-M565 HydrophobicContact CG-SD 3.99Å; M550-M565 HydrophobicContact SD-SD 4.26Å; L554-M565 HydrophobicContact CD1-CB 4.05Å; L554-M565 HydrophobicContact CD1-CG 4.47Å; L554-M565 HydrophobicContact CD1-SD 3.59Å; L554-M565 VanDerWaalsContact CD1-SD 3.59Å; L554-M565 HydrophobicContact CD2-CE 4.01Å; L554-M565 HydrophobicContact CD2-SD 4.14Å; L554-M565 HydrophobicContact CG-SD 4.36Å; P562-M565 PolarHBondContact O-N 3.18Å; E563-M565 VanDerWaalsContact C-N 3.31Å; E563-M565 PolarHBondContact O-N 3.49Å; M565-R568 CarbonylContact O-C 3.48Å; M565-R568 PolarHBondContact O-N 3.22Å; M565-S569 PolarHBondContact O-N 3.02Å
566	M	86.1	Confident	83.8	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-44	177.5	-67.1	174	64	0	0	112.3	F544 I546 P562 E563 R568 S569 Q572 I842 Q843 L847	F544-M566 HydrophobicContact CE1-CG 4.06Å; F544-M566 HydrophobicContact CZ-CG 4.09Å; I546-M566 HydrophobicContact CD1-CE 3.76Å; I546-M566 HydrophobicContact CD1-SD 3.71Å; P562-M566 WeakPolarHBondContact O-CG 3.38Å; P562-M566 PolarHBondContact O-N 3.33Å; P562-M566 VanDerWaalsContact O-N 3.12Å; E563-M566 PolarHBondContact O-N 3.39Å; M566-R568 PolarHBondContact O-N 2.92Å; M566-S569 WeakPolarHBondContact O-CB 3.48Å; M566-S569 PolarHBondContact O-N 3.46Å; M566-S569 PolarHBondContact O-OG 3.25Å; M566-Q572 VanDerWaalsContact O-CB 3.29Å; M566-Q572 WeakPolarHBondContact O-CB 3.39Å; M566-I842 WeakPolarHBondContact CE-O 3.21Å; M566-Q843 HydrophobicContact CE-CB 4.05Å; M566-L847 HydrophobicContact CE-CB 4.29Å; M566-L847 HydrophobicContact SD-CB 3.96Å; M566-L847 HydrophobicContact SD-CD1 4.32Å; M566-L847 HydrophobicContact SD-CD2 3.57Å; M566-L847 VanDerWaalsContact SD-CD2 3.57Å; M566-L847 HydrophobicContact SD-CG 4.13Å
567	E	85.7	Confident	83.7	Confident	97 Å²	97	51.5 Å²	51.5	45%	0.453	25%	0.25	S	C	.	.	H	α-helix	trans	-56.7	-38.5	176	-83.5	175.3	-170.8	0	0	112.7	E563 L841	E563-E567 WeakPolarHBondContact O-CB 3.17Å; E563-E567 WeakPolarHBondContact O-CG 3.21Å; E563-E567 PolarHBondContact O-N 2.83Å; E567-L841 HydrophobicContact CB-CD2 4.39Å; E567-L841 HydrophobicContact CG-CD1 4.06Å; E567-L841 HydrophobicContact CG-CD2 3.48Å; E567-L841 VanDerWaalsContact CG-CD2 3.48Å; E567-L841 HydrophobicContact CG-CG 4.41Å
568	R	88.2	Confident	83.7	Confident	76 Å²	76	51.1 Å²	51.1	29%	0.287	25%	0.248	S	C	.	.	H	α-helix	trans	-93.2	-2.8	-178	-79.1	175.1	175.5	75.1	-2.5	114.2	V253 W277 L281 Y564 M565 M566	V253-R568 HydrophobicContact CG1-CB 3.97Å; V253-R568 HydrophobicContact CG2-CB 4.32Å; W277-R568 PolarHBondContact NE1-O 3.1Å; L281-R568 HydrophobicContact CD1-CB 3.73Å; L281-R568 HydrophobicContact CD1-CG 3.79Å; Y564-R568 VanDerWaalsContact CZ-CD 3.48Å; Y564-R568 PolarHBondContact O-N 3.47Å; Y564-R568 PolarHBondContact OH-NE 2.86Å; M565-R568 CarbonylContact O-C 3.48Å; M565-R568 PolarHBondContact O-N 3.22Å; M566-R568 PolarHBondContact O-N 2.92Å
569	S	90.1	Very high	84.3	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.028	20%	0.204	C	C	.	.	S	Bend	trans	-59.8	150.6	177.5	69.1	0	0	0	0	111.1	M565 M566 C571 Q572 F573	M565-S569 PolarHBondContact O-N 3.02Å; M566-S569 WeakPolarHBondContact O-CB 3.48Å; M566-S569 PolarHBondContact O-N 3.46Å; M566-S569 PolarHBondContact O-OG 3.25Å; S569-C571 PolarHBondContact O-N 2.86Å; S569-Q572 PolarHBondContact O-N 2.98Å; S569-Q572 WeakPolarHBondContact OG-CB 3.28Å; S569-Q572 PolarHBondContact OG-N 2.79Å; S569-Q572 VanDerWaalsContact OG-N 3.15Å; S569-F573 PolarHBondContact O-N 3.28Å; S569-F573 VanDerWaalsContact O-N 3.12Å
570	F	91.4	Very high	84.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-33.1	176.4	-175.1	-126.4	0	0	0	110.7	M239 E249 Q273 F274 W277 L540 Q572 F573 Q574	M239-F570 HydrophobicContact CE-CB 3.99Å; M239-F570 HydrophobicContact CE-CD1 3.18Å; M239-F570 HydrophobicContact CE-CE1 3.76Å; M239-F570 HydrophobicContact CE-CG 3.76Å; E249-F570 HydrophobicContact CG-CB 4.49Å; E249-F570 WeakPolarHBondContact OE2-CB 3.43Å; E249-F570 PolarHBondContact OE2-N 2.98Å; Q273-F570 HydrophobicContact CG-CE2 4.25Å; Q273-F570 HydrophobicContact CG-CZ 4.36Å; F274-F570 HydrophobicContact CB-CZ 4.48Å; W277-F570 HydrophobicContact CB-CD2 3.72Å; W277-F570 HydrophobicContact CB-CE2 3.93Å; W277-F570 HydrophobicContact CD2-CB 4Å; W277-F570 AromaticContact CD2-CD2 3.61Å; W277-F570 HydrophobicContact CD2-CD2 3.61Å; W277-F570 HydrophobicContact CD2-CG 4.17Å; W277-F570 HydrophobicContact CE3-CB 4.19Å; W277-F570 AromaticContact CE3-CD2 3.8Å; W277-F570 HydrophobicContact CE3-CD2 3.8Å; W277-F570 HydrophobicContact CE3-CE2 4.5Å; W277-F570 HydrophobicContact CE3-CG 4.19Å; W277-F570 AromaticContact CG-CD2 3.59Å; W277-F570 HydrophobicContact CG-CD2 3.59Å; W277-F570 HydrophobicContact CG-CE2 4.31Å; W277-F570 HydrophobicContact CH2-CB 4.21Å; W277-F570 HydrophobicContact CZ2-CB 4Å; W277-F570 HydrophobicContact CZ3-CB 4.3Å; L540-F570 HydrophobicContact CD2-CE1 4.19Å; L540-F570 HydrophobicContact CD2-CZ 4.48Å; L540-F570 HydrophobicContact CG-CE1 4.17Å; L540-F570 VanDerWaalsContact O-CE1 3.31Å; L540-F570 WeakPolarHBondContact O-CE1 3.38Å; F570-Q572 PolarHBondContact O-N 3.22Å; F570-F573 HydrophobicContact CD2-CB 4.49Å; F570-F573 HydrophobicContact CD2-CD1 4.35Å; F570-F573 HydrophobicContact CE2-CD1 4.27Å; F570-F573 WeakPolarHBondContact O-CB 3.38Å; F570-F573 PolarHBondContact O-N 2.86Å; F570-Q574 HydrophobicContact CD1-CG 4.17Å; F570-Q574 HydrophobicContact CD2-CG 4.23Å; F570-Q574 VanDerWaalsContact CE1-CD 3.47Å; F570-Q574 HydrophobicContact CE1-CG 3.91Å; F570-Q574 HydrophobicContact CE2-CG 3.95Å; F570-Q574 HydrophobicContact CG-CG 4.35Å; F570-Q574 HydrophobicContact CZ-CG 3.78Å; F570-Q574 WeakPolarHBondContact O-CG 3.38Å; F570-Q574 PolarHBondContact O-N 2.98Å
571	C	88	Confident	85.3	Confident	26 Å²	26	39.8 Å²	39.8	18%	0.176	20%	0.203	C	C	.	.	H	α-helix	trans	-53.6	-51	173.8	-163.1	0	0	0	0	111.9	S542 F544 S569 F573 Q574 N575 I842	S542-C571 VanDerWaalsContact CB-CA 3.49Å; S542-C571 VanDerWaalsContact CB-N 3.26Å; S542-C571 WeakPolarHBondContact OG-CB 3.41Å; S542-C571 PolarHBondContact OG-N 3.16Å; F544-C571 HydrophobicContact CB-CB 4.16Å; S569-C571 PolarHBondContact O-N 2.86Å; C571-F573 VanDerWaalsContact C-N 3.34Å; C571-F573 PolarHBondContact O-N 3.4Å; C571-Q574 PolarHBondContact O-N 3.29Å; C571-N575 PolarHBondContact O-N 2.73Å; C571-N575 VanDerWaalsContact O-N 3.09Å; C571-I842 HydrophobicContact CB-CD1 4.12Å; C571-I842 WeakPolarHBondContact O-CD1 3.28Å; C571-I842 WeakPolarHBondContact SG-CD1 3.2Å
572	Q	86.2	Confident	85.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-41.1	178.9	-170.1	63.7	35.5	0	0	111.4	M566 S569 F570 Q574 N575 F576 L841 I842	M566-Q572 VanDerWaalsContact O-CB 3.29Å; M566-Q572 WeakPolarHBondContact O-CB 3.39Å; S569-Q572 PolarHBondContact O-N 2.98Å; S569-Q572 WeakPolarHBondContact OG-CB 3.28Å; S569-Q572 PolarHBondContact OG-N 2.79Å; S569-Q572 VanDerWaalsContact OG-N 3.15Å; F570-Q572 PolarHBondContact O-N 3.22Å; Q572-Q574 PolarHBondContact O-N 2.98Å; Q572-N575 PolarHBondContact O-N 3.5Å; Q572-F576 HydrophobicContact CG-CD2 3.91Å; Q572-F576 HydrophobicContact CG-CE2 3.47Å; Q572-F576 VanDerWaalsContact CG-CE2 3.47Å; Q572-F576 HydrophobicContact CG-CZ 3.88Å; Q572-F576 WeakPolarHBondContact O-CD2 3.41Å; Q572-F576 WeakPolarHBondContact O-CG 3.47Å; Q572-F576 PolarHBondContact O-N 2.57Å; Q572-L841 HydrophobicContact CG-CD2 4.3Å; Q572-I842 HydrophobicContact CB-CD1 4.37Å
573	F	88.1	Confident	85.2	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-43.3	175.9	-174.7	-90.9	0	0	0	112.8	P79 Q273 E276 W277 H280 S569 F570 C571 N575 F576 S577	P79-F573 HydrophobicContact CB-CE2 4.1Å; P79-F573 HydrophobicContact CG-CD2 4.1Å; P79-F573 HydrophobicContact CG-CE2 3.54Å; P79-F573 HydrophobicContact CG-CZ 4.35Å; Q273-F573 HydrophobicContact CG-CD1 4.39Å; Q273-F573 HydrophobicContact CG-CE1 4.08Å; Q273-F573 WeakPolarHBondContact O-CE1 3.42Å; E276-F573 HydrophobicContact CB-CE1 4.03Å; E276-F573 HydrophobicContact CB-CZ 3.67Å; W277-F573 HydrophobicContact CB-CD1 3.69Å; W277-F573 HydrophobicContact CB-CD2 4.25Å; W277-F573 HydrophobicContact CB-CE1 3.92Å; W277-F573 HydrophobicContact CB-CE2 4.44Å; W277-F573 HydrophobicContact CB-CG 3.88Å; W277-F573 HydrophobicContact CB-CZ 4.31Å; W277-F573 AromaticContact CD1-CG 3.78Å; W277-F573 HydrophobicContact CG-CB 4.31Å; W277-F573 HydrophobicContact CG-CD1 4.36Å; W277-F573 HydrophobicContact CG-CG 4.15Å; H280-F573 HydrophobicContact CB-CD2 4.46Å; H280-F573 HydrophobicContact CB-CE2 3.94Å; H280-F573 AromaticContact CD2-CD2 3.9Å; S569-F573 PolarHBondContact O-N 3.28Å; S569-F573 VanDerWaalsContact O-N 3.12Å; F570-F573 HydrophobicContact CD2-CB 4.49Å; F570-F573 HydrophobicContact CD2-CD1 4.35Å; F570-F573 HydrophobicContact CE2-CD1 4.27Å; F570-F573 WeakPolarHBondContact O-CB 3.38Å; F570-F573 PolarHBondContact O-N 2.86Å; C571-F573 VanDerWaalsContact C-N 3.34Å; C571-F573 PolarHBondContact O-N 3.4Å; F573-N575 VanDerWaalsContact C-N 3.33Å; F573-N575 PolarHBondContact O-N 2.65Å; F573-F576 PolarHBondContact O-N 3.46Å; F573-S577 WeakPolarHBondContact CE1-OG 3.41Å; F573-S577 WeakPolarHBondContact O-CB 3.26Å; F573-S577 PolarHBondContact O-N 3.43Å; F573-S577 PolarHBondContact O-OG 3.43Å
574	Q	88.5	Confident	85.2	Confident	28 Å²	28	41 Å²	41	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-40.1	177	-68.7	-168.1	-61.2	0	0	111.6	L540 N541 S542 F570 C571 Q572 S577 S578	L540-Q574 PolarHBondContact O-NE2 2.97Å; N541-Q574 PolarHBondContact OD1-NE2 3.34Å; S542-Q574 VanDerWaalsContact N-OE1 3.12Å; F570-Q574 HydrophobicContact CD1-CG 4.17Å; F570-Q574 HydrophobicContact CD2-CG 4.23Å; F570-Q574 VanDerWaalsContact CE1-CD 3.47Å; F570-Q574 HydrophobicContact CE1-CG 3.91Å; F570-Q574 HydrophobicContact CE2-CG 3.95Å; F570-Q574 HydrophobicContact CG-CG 4.35Å; F570-Q574 HydrophobicContact CZ-CG 3.78Å; F570-Q574 WeakPolarHBondContact O-CG 3.38Å; F570-Q574 PolarHBondContact O-N 2.98Å; C571-Q574 PolarHBondContact O-N 3.29Å; Q572-Q574 PolarHBondContact O-N 2.98Å; Q574-S577 WeakPolarHBondContact O-CB 3.1Å; Q574-S577 PolarHBondContact O-N 2.82Å; Q574-S578 PolarHBondContact O-N 3.37Å
575	N	83.9	Confident	85.4	Confident	48 Å²	48	40.5 Å²	40.5	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-46.5	175.2	-85.4	2.3	0	0	0	111.9	C571 Q572 F573 S577 S578 L579 I842	C571-N575 PolarHBondContact O-N 2.73Å; C571-N575 VanDerWaalsContact O-N 3.09Å; Q572-N575 PolarHBondContact O-N 3.5Å; F573-N575 VanDerWaalsContact C-N 3.33Å; F573-N575 PolarHBondContact O-N 2.65Å; N575-S577 VanDerWaalsContact C-N 3.3Å; N575-S577 PolarHBondContact O-N 2.67Å; N575-S578 PolarHBondContact O-N 3.01Å; N575-S578 VanDerWaalsContact O-N 3.09Å; N575-S578 PolarHBondContact O-OG 3.34Å; N575-L579 PolarHBondContact O-N 2.82Å; N575-I842 HydrophobicContact CB-CD1 3.92Å; N575-I842 WeakPolarHBondContact ND2-CD1 3.31Å; N575-I842 WeakPolarHBondContact ND2-CG1 3.1Å
576	F	82.8	Confident	85.4	Confident	50 Å²	50	40.7 Å²	40.7	22%	0.219	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-37.6	175.6	-71.7	-31.8	0	0	0	112.9	F76 Q572 F573 S578 L579 P580	F76-F576 WeakPolarHBondContact CZ-O 3.22Å; Q572-F576 HydrophobicContact CG-CD2 3.91Å; Q572-F576 HydrophobicContact CG-CE2 3.47Å; Q572-F576 VanDerWaalsContact CG-CE2 3.47Å; Q572-F576 HydrophobicContact CG-CZ 3.88Å; Q572-F576 WeakPolarHBondContact O-CD2 3.41Å; Q572-F576 WeakPolarHBondContact O-CG 3.47Å; Q572-F576 PolarHBondContact O-N 2.57Å; F573-F576 PolarHBondContact O-N 3.46Å; F576-S578 PolarHBondContact O-N 3.48Å; F576-L579 HydrophobicContact CD1-CD1 3.69Å; F576-L579 HydrophobicContact CE1-CD1 4.38Å; F576-L579 WeakPolarHBondContact O-CB 3.3Å; F576-L579 PolarHBondContact O-N 2.85Å; F576-L579 VanDerWaalsContact O-N 3.16Å; F576-P580 VanDerWaalsContact O-CD 3.3Å; F576-P580 WeakPolarHBondContact O-CD 3.48Å
577	S	80.9	Confident	85.6	Confident	38 Å²	38	45 Å²	45	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-26.8	176	-59.9	0	0	0	0	113	F573 Q574 N575 P580	F573-S577 WeakPolarHBondContact CE1-OG 3.41Å; F573-S577 WeakPolarHBondContact O-CB 3.26Å; F573-S577 PolarHBondContact O-N 3.43Å; F573-S577 PolarHBondContact O-OG 3.43Å; Q574-S577 WeakPolarHBondContact O-CB 3.1Å; Q574-S577 PolarHBondContact O-N 2.82Å; N575-S577 VanDerWaalsContact C-N 3.3Å; N575-S577 PolarHBondContact O-N 2.67Å; S577-P580 WeakPolarHBondContact O-CD 3.28Å
578	S	79.9	Confident	85.8	Confident	33 Å²	33	45.4 Å²	45.4	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-82.1	-21.8	178.6	77.8	0	0	0	0	114.1	Q574 N575 F576 M582 K838	Q574-S578 PolarHBondContact O-N 3.37Å; N575-S578 PolarHBondContact O-N 3.01Å; N575-S578 VanDerWaalsContact O-N 3.09Å; N575-S578 PolarHBondContact O-OG 3.34Å; F576-S578 PolarHBondContact O-N 3.48Å; S578-M582 WeakPolarHBondContact O-CG 3.49Å; S578-M582 PolarHBondContact O-N 3.48Å; S578-K838 PolarHBondContact OG-NZ 2.75Å
579	L	81.8	Confident	85.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-44.8	-175.4	-67.4	-178.6	0	0	0	115.1	F76 N575 F576 N581 M582 Y583 L835 K838 V839	F76-L579 HydrophobicContact CD2-CB 4.32Å; F76-L579 HydrophobicContact CD2-CD1 4Å; F76-L579 HydrophobicContact CE1-CB 4.39Å; F76-L579 HydrophobicContact CE2-CB 3.71Å; F76-L579 HydrophobicContact CE2-CD1 3.52Å; F76-L579 HydrophobicContact CE2-CG 4.23Å; F76-L579 HydrophobicContact CZ-CB 3.74Å; F76-L579 HydrophobicContact CZ-CD1 4.34Å; N575-L579 PolarHBondContact O-N 2.82Å; F576-L579 HydrophobicContact CD1-CD1 3.69Å; F576-L579 HydrophobicContact CE1-CD1 4.38Å; F576-L579 WeakPolarHBondContact O-CB 3.3Å; F576-L579 PolarHBondContact O-N 2.85Å; F576-L579 VanDerWaalsContact O-N 3.16Å; L579-N581 VanDerWaalsContact C-N 3.3Å; L579-N581 PolarHBondContact O-N 3.46Å; L579-M582 WeakPolarHBondContact O-CB 3.46Å; L579-M582 PolarHBondContact O-N 3.06Å; L579-Y583 HydrophobicContact CB-CD2 4.22Å; L579-Y583 HydrophobicContact CB-CE2 4.1Å; L579-Y583 WeakPolarHBondContact O-CD2 3.29Å; L579-Y583 PolarHBondContact O-N 3.47Å; L579-L835 HydrophobicContact CD2-CD2 3.62Å; L579-K838 HydrophobicContact CD2-CB 3.72Å; L579-K838 HydrophobicContact CD2-CD 4.25Å; L579-V839 HydrophobicContact CD1-CG2 3.89Å; L579-V839 HydrophobicContact CD2-CG2 4.36Å
580	P	81.1	Confident	85.9	Confident	56 Å²	56	45.4 Å²	45.4	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-35.8	-175.3	11.3	-16.6	0	0	0	113	F76 F576 S577 M582 Y583 K584	F76-P580 HydrophobicContact CE1-CB 3.88Å; F76-P580 HydrophobicContact CE1-CG 3.71Å; F76-P580 HydrophobicContact CZ-CG 4.15Å; F576-P580 VanDerWaalsContact O-CD 3.3Å; F576-P580 WeakPolarHBondContact O-CD 3.48Å; S577-P580 WeakPolarHBondContact O-CD 3.28Å; P580-M582 VanDerWaalsContact C-N 3.35Å; P580-Y583 PolarHBondContact O-N 2.95Å; P580-K584 PolarHBondContact O-N 2.86Å
581	N	83.9	Confident	85.8	Confident	122 Å²	122	48.3 Å²	48.3	65%	0.652	26%	0.255	S	S	*	.	H	α-helix	trans	-65.4	-40	174.7	-69.4	-24.2	0	0	0	111.5	L579 K584 E585	L579-N581 VanDerWaalsContact C-N 3.3Å; L579-N581 PolarHBondContact O-N 3.46Å; N581-K584 PolarHBondContact O-N 3.11Å; N581-E585 PolarHBondContact O-N 2.95Å
582	M	82.2	Confident	85.9	Confident	17 Å²	17	50 Å²	50	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-38.7	176.3	-67.4	178.2	69.6	0	0	112.3	S578 L579 P580 K584 E585 L586 L831 N834 L835 K838	S578-M582 WeakPolarHBondContact O-CG 3.49Å; S578-M582 PolarHBondContact O-N 3.48Å; L579-M582 WeakPolarHBondContact O-CB 3.46Å; L579-M582 PolarHBondContact O-N 3.06Å; P580-M582 VanDerWaalsContact C-N 3.35Å; M582-K584 VanDerWaalsContact C-N 3.31Å; M582-K584 PolarHBondContact O-N 3.42Å; M582-E585 PolarHBondContact O-N 3.29Å; M582-L586 WeakPolarHBondContact O-CB 3.47Å; M582-L586 PolarHBondContact O-N 3.38Å; M582-L831 HydrophobicContact CE-CD1 3.68Å; M582-N834 HydrophobicContact CE-CB 4.21Å; M582-L835 HydrophobicContact CB-CD2 3.61Å; M582-L835 HydrophobicContact CB-CG 4.28Å; M582-L835 HydrophobicContact CE-CD2 4.08Å; M582-L835 HydrophobicContact CE-CG 4.11Å; M582-L835 HydrophobicContact SD-CD2 4.29Å; M582-K838 HydrophobicContact CE-CD 4.09Å; M582-K838 HydrophobicContact SD-CD 3.7Å; M582-K838 PolarHBondContact SD-NZ 3.13Å
583	Y	83.3	Confident	86	Confident	38 Å²	38	52.3 Å²	52.3	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-40	172.8	-82.7	-68.7	0	0	0	111.7	L74 F76 L579 P580 L586 N587 L835	L74-Y583 HydrophobicContact CB-CE1 4.34Å; L74-Y583 WeakPolarHBondContact CB-OH 3.44Å; L74-Y583 HydrophobicContact CD1-CE1 4.43Å; F76-Y583 HydrophobicContact CB-CE2 4.03Å; F76-Y583 HydrophobicContact CD1-CD2 4.48Å; F76-Y583 HydrophobicContact CD2-CE2 4.17Å; F76-Y583 HydrophobicContact CG-CD2 4.38Å; F76-Y583 AromaticContact CG-CE2 3.99Å; F76-Y583 HydrophobicContact CG-CE2 3.99Å; L579-Y583 HydrophobicContact CB-CD2 4.22Å; L579-Y583 HydrophobicContact CB-CE2 4.1Å; L579-Y583 WeakPolarHBondContact O-CD2 3.29Å; L579-Y583 PolarHBondContact O-N 3.47Å; P580-Y583 PolarHBondContact O-N 2.95Å; Y583-L586 PolarHBondContact O-N 3.45Å; Y583-N587 WeakPolarHBondContact O-CB 3.36Å; Y583-N587 VanDerWaalsContact O-CG 3.24Å; Y583-N587 PolarHBondContact O-N 3.24Å; Y583-N587 PolarHBondContact O-ND2 3.02Å; Y583-L835 HydrophobicContact CD1-CD1 4.19Å; Y583-L835 HydrophobicContact CD2-CD2 4.34Å; Y583-L835 HydrophobicContact CE1-CD1 4.2Å; Y583-L835 HydrophobicContact CE2-CD2 4.19Å
584	K	86.5	Confident	86	Confident	132 Å²	132	55.7 Å²	55.7	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-63.5	-48.6	175.3	-167.8	-175	177.8	-166.8	0	111.5	P580 N581 M582 L586 N587 E588	P580-K584 PolarHBondContact O-N 2.86Å; N581-K584 PolarHBondContact O-N 3.11Å; M582-K584 VanDerWaalsContact C-N 3.31Å; M582-K584 PolarHBondContact O-N 3.42Å; K584-L586 VanDerWaalsContact C-N 3.31Å; K584-L586 PolarHBondContact O-N 3.37Å; K584-N587 PolarHBondContact O-N 3.3Å; K584-E588 WeakPolarHBondContact CE-OE1 3.36Å; K584-E588 IonicContact NZ-OE1 2.73Å; K584-E588 WeakPolarHBondContact O-CG 3.48Å; K584-E588 PolarHBondContact O-N 3.12Å
585	E	88.1	Confident	86	Confident	73 Å²	73	58.5 Å²	58.5	34%	0.341	33%	0.325	S	S	.	.	H	α-helix	trans	-57.9	-43.9	175.1	-175.9	-175.2	166.4	0	0	111.1	N581 M582 N587 E588 L589 R827 L831	N581-E585 PolarHBondContact O-N 2.95Å; M582-E585 PolarHBondContact O-N 3.29Å; E585-N587 VanDerWaalsContact C-N 3.35Å; E585-N587 PolarHBondContact O-N 2.94Å; E585-E588 PolarHBondContact O-N 3.25Å; E585-L589 HydrophobicContact CG-CD1 4.09Å; E585-L589 HydrophobicContact CG-CG 4.48Å; E585-L589 WeakPolarHBondContact O-CB 3.38Å; E585-L589 VanDerWaalsContact O-CG 3.31Å; E585-L589 WeakPolarHBondContact O-CG 3.38Å; E585-L589 PolarHBondContact O-N 3.02Å; E585-R827 IonicContact OE1-NE 3.2Å; E585-R827 IonicContact OE1-NH2 2.97Å; E585-R827 PolarHBondContact OE1-NH2 3.48Å; E585-L831 HydrophobicContact CB-CD2 4.23Å; E585-L831 HydrophobicContact CG-CD2 4.01Å
586	L	87.5	Confident	86.1	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-44.4	177.8	-174.2	74.1	0	0	0	111.6	M582 Y583 K584 L589 R590 I828 L831 L835	M582-L586 WeakPolarHBondContact O-CB 3.47Å; M582-L586 PolarHBondContact O-N 3.38Å; Y583-L586 PolarHBondContact O-N 3.45Å; K584-L586 VanDerWaalsContact C-N 3.31Å; K584-L586 PolarHBondContact O-N 3.37Å; L586-L589 PolarHBondContact O-N 2.85Å; L586-R590 WeakPolarHBondContact O-CB 3.3Å; L586-R590 VanDerWaalsContact O-CG 3.26Å; L586-R590 WeakPolarHBondContact O-CG 2.94Å; L586-R590 PolarHBondContact O-N 2.82Å; L586-I828 HydrophobicContact CD1-CG2 4.14Å; L586-L831 HydrophobicContact CB-CD2 3.8Å; L586-L831 HydrophobicContact CB-CG 4.49Å; L586-L831 HydrophobicContact CD1-CB 4.1Å; L586-L831 HydrophobicContact CD1-CD2 3.89Å; L586-L831 HydrophobicContact CD1-CG 4.1Å; L586-L831 HydrophobicContact CG-CD2 4.49Å; L586-L835 HydrophobicContact CB-CD1 4.33Å; L586-L835 HydrophobicContact CD2-CD1 3.72Å; L586-L835 HydrophobicContact CG-CD1 4.48Å
587	N	88.9	Confident	86.1	Confident	94 Å²	94	60 Å²	60	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-67.2	-39.4	179.1	-72.6	-19.7	0	0	0	111.9	Y583 K584 E585 R590 A591	Y583-N587 WeakPolarHBondContact O-CB 3.36Å; Y583-N587 VanDerWaalsContact O-CG 3.24Å; Y583-N587 PolarHBondContact O-N 3.24Å; Y583-N587 PolarHBondContact O-ND2 3.02Å; K584-N587 PolarHBondContact O-N 3.3Å; E585-N587 VanDerWaalsContact C-N 3.35Å; E585-N587 PolarHBondContact O-N 2.94Å; N587-R590 PolarHBondContact O-N 2.84Å; N587-A591 WeakPolarHBondContact O-CB 3.35Å; N587-A591 PolarHBondContact O-N 2.91Å
588	E	91	Very high	86.1	Confident	105 Å²	105	58.6 Å²	58.6	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-42.2	174.5	-72.9	173.9	-174.4	0	0	111.9	K584 E585 A591 T592	K584-E588 WeakPolarHBondContact CE-OE1 3.36Å; K584-E588 IonicContact NZ-OE1 2.73Å; K584-E588 WeakPolarHBondContact O-CG 3.48Å; K584-E588 PolarHBondContact O-N 3.12Å; E585-E588 PolarHBondContact O-N 3.25Å; E588-A591 PolarHBondContact O-N 3.4Å; E588-T592 WeakPolarHBondContact O-CB 3.41Å; E588-T592 PolarHBondContact O-N 3.02Å; E588-T592 PolarHBondContact O-OG1 2.83Å
589	L	90.4	Very high	85.9	Confident	28 Å²	28	62 Å²	62	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-43.8	175	-73.3	172.7	0	0	0	111.8	E585 L586 A591 T592 Y593 L824 R827 I828 L831	E585-L589 HydrophobicContact CG-CD1 4.09Å; E585-L589 HydrophobicContact CG-CG 4.48Å; E585-L589 WeakPolarHBondContact O-CB 3.38Å; E585-L589 VanDerWaalsContact O-CG 3.31Å; E585-L589 WeakPolarHBondContact O-CG 3.38Å; E585-L589 PolarHBondContact O-N 3.02Å; L586-L589 PolarHBondContact O-N 2.85Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 2.86Å; L589-T592 PolarHBondContact O-N 3.24Å; L589-Y593 VanDerWaalsContact O-CB 3.31Å; L589-Y593 WeakPolarHBondContact O-CB 3.37Å; L589-Y593 PolarHBondContact O-N 3.27Å; L589-L824 HydrophobicContact CD2-CD2 3.75Å; L589-R827 HydrophobicContact CD1-CG 3.76Å; L589-I828 HydrophobicContact CB-CD1 4.37Å; L589-I828 HydrophobicContact CB-CG1 3.85Å; L589-L831 HydrophobicContact CD1-CD2 3.96Å
590	R	89.7	Confident	85.7	Confident	52 Å²	52	66.6 Å²	66.6	20%	0.196	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-42.2	175.1	-77.4	175.4	177.4	-174.4	-1	111.5	T71 L586 N587 Y593 A594 I828	T71-R590 PolarHBondContact OG1-NH2 3.03Å; L586-R590 WeakPolarHBondContact O-CB 3.3Å; L586-R590 VanDerWaalsContact O-CG 3.26Å; L586-R590 WeakPolarHBondContact O-CG 2.94Å; L586-R590 PolarHBondContact O-N 2.82Å; N587-R590 PolarHBondContact O-N 2.84Å; R590-Y593 PolarHBondContact O-N 2.91Å; R590-A594 WeakPolarHBondContact O-CB 3.32Å; R590-A594 PolarHBondContact O-N 2.65Å; R590-I828 HydrophobicContact CG-CD1 4.21Å; R590-I828 HydrophobicContact CG-CG1 4.48Å; R590-I828 HydrophobicContact CG-CG2 4.27Å
591	A	89.9	Confident	85.6	Confident	62 Å²	62	67.1 Å²	67.1	51%	0.512	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-44.7	175.4	0	0	0	0	0	111.8	N587 E588 L589 Y593 A594 S595	N587-A591 WeakPolarHBondContact O-CB 3.35Å; N587-A591 PolarHBondContact O-N 2.91Å; E588-A591 PolarHBondContact O-N 3.4Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 2.86Å; A591-Y593 PolarHBondContact O-N 2.87Å; A591-A594 PolarHBondContact O-N 3.48Å; A591-S595 WeakPolarHBondContact O-CB 3.08Å; A591-S595 PolarHBondContact O-N 2.67Å; A591-S595 PolarHBondContact O-OG 2.63Å
592	T	89.8	Confident	85.4	Confident	60 Å²	60	67.9 Å²	67.9	37%	0.368	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-42.8	177.6	-54	0	0	0	0	111.3	E588 L589 S595 T596 L824	E588-T592 WeakPolarHBondContact O-CB 3.41Å; E588-T592 PolarHBondContact O-N 3.02Å; E588-T592 PolarHBondContact O-OG1 2.83Å; L589-T592 PolarHBondContact O-N 3.24Å; T592-S595 PolarHBondContact O-N 2.75Å; T592-S595 PolarHBondContact O-OG 2.73Å; T592-T596 PolarHBondContact O-N 2.82Å; T592-T596 VanDerWaalsContact O-N 3.13Å; T592-T596 PolarHBondContact O-OG1 3.3Å; T592-L824 HydrophobicContact CG2-CD1 3.87Å; T592-L824 HydrophobicContact CG2-CD2 4.49Å
593	Y	88.7	Confident	85.3	Confident	51 Å²	51	68 Å²	68	20%	0.2	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-46.9	175	178.2	-95.4	0	0	0	111.8	L589 R590 A591 S595 T596 K821 L824 R825 I828	L589-Y593 VanDerWaalsContact O-CB 3.31Å; L589-Y593 WeakPolarHBondContact O-CB 3.37Å; L589-Y593 PolarHBondContact O-N 3.27Å; R590-Y593 PolarHBondContact O-N 2.91Å; A591-Y593 PolarHBondContact O-N 2.87Å; Y593-S595 VanDerWaalsContact C-N 3.28Å; Y593-S595 PolarHBondContact O-N 3.3Å; Y593-T596 PolarHBondContact O-N 3.32Å; Y593-T596 VanDerWaalsContact O-N 3.17Å; Y593-K821 HydrophobicContact CD2-CG 3.83Å; Y593-K821 HydrophobicContact CE2-CD 4.32Å; Y593-K821 HydrophobicContact CE2-CG 3.52Å; Y593-L824 HydrophobicContact CD2-CB 4.09Å; Y593-R825 HydrophobicContact CD2-CB 4.34Å; Y593-R825 HydrophobicContact CE2-CB 3.77Å; Y593-R825 HydrophobicContact CE2-CG 4.42Å; Y593-I828 HydrophobicContact CD2-CD1 4.44Å; Y593-I828 HydrophobicContact CG-CD1 4.01Å
594	A	87.5	Confident	85.3	Confident	77 Å²	77	66.2 Å²	66.2	64%	0.636	36%	0.363	S	S	*	.	H	α-helix	trans	-63.9	-32.5	177.9	0	0	0	0	0	112.9	R590 A591 T596	R590-A594 WeakPolarHBondContact O-CB 3.32Å; R590-A594 PolarHBondContact O-N 2.65Å; A591-A594 PolarHBondContact O-N 3.48Å; A594-T596 VanDerWaalsContact C-N 3.35Å
595	S	88.7	Confident	85.1	Confident	87 Å²	87	63 Å²	63	61%	0.608	35%	0.35	S	S	*	.	H	α-helix	trans	-76.7	-18.9	176.2	72.2	0	0	0	0	114.1	A591 T592 Y593 V597	A591-S595 WeakPolarHBondContact O-CB 3.08Å; A591-S595 PolarHBondContact O-N 2.67Å; A591-S595 PolarHBondContact O-OG 2.63Å; T592-S595 PolarHBondContact O-N 2.75Å; T592-S595 PolarHBondContact O-OG 2.73Å; Y593-S595 VanDerWaalsContact C-N 3.28Å; Y593-S595 PolarHBondContact O-N 3.3Å; S595-V597 PolarHBondContact O-N 2.9Å
596	T	85.4	Confident	84.8	Confident	20 Å²	20	61 Å²	61	12%	0.123	34%	0.343	C	S	.	.			trans	-85.5	97.5	-179	-53.9	0	0	0	0	109.3	T592 Y593 A594 V817 K821	T592-T596 PolarHBondContact O-N 2.82Å; T592-T596 VanDerWaalsContact O-N 3.13Å; T592-T596 PolarHBondContact O-OG1 3.3Å; Y593-T596 PolarHBondContact O-N 3.32Å; Y593-T596 VanDerWaalsContact O-N 3.17Å; A594-T596 VanDerWaalsContact C-N 3.35Å; T596-V817 HydrophobicContact CG2-CG1 3.82Å; T596-K821 HydrophobicContact CG2-CB 4.02Å; T596-K821 HydrophobicContact CG2-CD 4.46Å; T596-K821 HydrophobicContact CG2-CG 4.31Å; T596-K821 WeakPolarHBondContact O-CD 3.39Å; T596-K821 VanDerWaalsContact O-CE 3.24Å; T596-K821 WeakPolarHBondContact O-CE 3.42Å; T596-K821 PolarHBondContact O-NZ 3.33Å
597	V	82.6	Confident	84.7	Confident	108 Å²	108	61.3 Å²	61.3	66%	0.655	35%	0.345	S	S	*	.			trans	-94.9	134.1	176.3	-174.5	0	0	0	0	109	S595	S595-V597 PolarHBondContact O-N 2.9Å
598	V	80.6	Confident	84.5	Confident	9 Å²	9	57.5 Å²	57.5	6%	0.055	32%	0.324	C	S	.	.			trans	-111.8	124.9	173.6	177.8	0	0	0	0	106.5	E601 V604 L814 V817 Y818 K821	V598-E601 HydrophobicContact CB-CB 4.22Å; V598-E601 HydrophobicContact CB-CG 4.41Å; V598-E601 HydrophobicContact CG1-CB 4.48Å; V598-V604 HydrophobicContact CG1-CB 4.19Å; V598-V604 HydrophobicContact CG1-CG1 4.37Å; V598-V604 HydrophobicContact CG1-CG2 4.02Å; V598-L814 HydrophobicContact CG1-CD2 4.45Å; V598-V817 HydrophobicContact CG2-CB 4.43Å; V598-V817 HydrophobicContact CG2-CG1 3.84Å; V598-Y818 HydrophobicContact CG1-CD2 4.46Å; V598-Y818 HydrophobicContact CG2-CD2 4.43Å; V598-K821 HydrophobicContact CG2-CD 4Å
599	D	76.8	Confident	84.2	Confident	106 Å²	106	55.9 Å²	55.9	57%	0.567	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	133.6	174.5	-62.1	-26	0	0	0	109.5	E601 L814	D599-E601 VanDerWaalsContact C-N 3.31Å; D599-E601 PolarHBondContact O-N 2.91Å; D599-L814 HydrophobicContact CB-CD2 4.04Å
600	D	78	Confident	83.9	Confident	97 Å²	97	55 Å²	55	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	46.1	-176.1	-63	-37.3	0	0	0	113.9	E602 S603 V604	D600-E602 PolarHBondContact O-N 3.4Å; D600-S603 PolarHBondContact O-N 2.83Å; D600-V604 PolarHBondContact O-N 3.43Å; D600-V604 VanDerWaalsContact O-N 3.16Å
601	E	78.2	Confident	83.7	Confident	67 Å²	67	53 Å²	53	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-46.1	-41	-175.9	-174.9	168.8	-165.8	0	0	114	V598 D599 S603 V604 E605 Y818 K821	V598-E601 HydrophobicContact CB-CB 4.22Å; V598-E601 HydrophobicContact CB-CG 4.41Å; V598-E601 HydrophobicContact CG1-CB 4.48Å; D599-E601 VanDerWaalsContact C-N 3.31Å; D599-E601 PolarHBondContact O-N 2.91Å; E601-S603 VanDerWaalsContact C-N 3.32Å; E601-S603 PolarHBondContact O-N 3.4Å; E601-V604 PolarHBondContact O-N 3.01Å; E601-E605 VanDerWaalsContact O-CB 3.23Å; E601-E605 WeakPolarHBondContact O-CB 3.31Å; E601-E605 PolarHBondContact O-N 3.13Å; E601-Y818 HydrophobicContact CG-CD2 4.41Å; E601-Y818 HydrophobicContact CG-CE2 4.24Å; E601-K821 WeakPolarHBondContact OE1-CE 3.3Å; E601-K821 IonicContact OE1-NZ 3.23Å; E601-K821 PolarHBondContact OE1-NZ 3.25Å; E601-K821 IonicContact OE2-NZ 3.58Å; E601-K821 PolarHBondContact OE2-NZ 3.21Å
602	E	79.8	Confident	83.4	Confident	137 Å²	137	53.5 Å²	53.5	64%	0.64	30%	0.298	S	S	*	.	H	α-helix	trans	-62.1	-37.2	179	-65	-173.3	165	0	0	112.9	D600 S606	D600-E602 PolarHBondContact O-N 3.4Å; E602-S606 PolarHBondContact O-N 3.01Å; E602-S606 PolarHBondContact O-OG 3.41Å
603	S	79.2	Confident	83.3	Confident	19 Å²	19	51.5 Å²	51.5	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-79.2	-34.6	-179.9	-60.8	0	0	0	0	112	D600 E601 S606 Y607	D600-S603 PolarHBondContact O-N 2.83Å; E601-S603 VanDerWaalsContact C-N 3.32Å; E601-S603 PolarHBondContact O-N 3.4Å; S603-S606 WeakPolarHBondContact CA-OG 3.26Å; S603-S606 PolarHBondContact O-OG 3.17Å; S603-Y607 WeakPolarHBondContact O-CB 3.45Å; S603-Y607 PolarHBondContact O-N 3.31Å
604	V	83.8	Confident	83.2	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-69.3	-38.9	174.4	-176.4	0	0	0	0	110.2	V598 D600 E601 Y607 H608 L805 L814 Y818	V598-V604 HydrophobicContact CG1-CB 4.19Å; V598-V604 HydrophobicContact CG1-CG1 4.37Å; V598-V604 HydrophobicContact CG1-CG2 4.02Å; D600-V604 PolarHBondContact O-N 3.43Å; D600-V604 VanDerWaalsContact O-N 3.16Å; E601-V604 PolarHBondContact O-N 3.01Å; V604-Y607 PolarHBondContact O-N 2.9Å; V604-H608 VanDerWaalsContact O-CB 3.28Å; V604-H608 WeakPolarHBondContact O-CB 3.26Å; V604-H608 PolarHBondContact O-N 3.46Å; V604-L805 HydrophobicContact CG2-CD1 4.09Å; V604-L814 HydrophobicContact CG1-CB 4.38Å; V604-L814 HydrophobicContact CG2-CB 3.96Å; V604-L814 HydrophobicContact CG2-CD1 4.13Å; V604-L814 HydrophobicContact CG2-CG 4.45Å; V604-Y818 HydrophobicContact CB-CD2 4.45Å; V604-Y818 HydrophobicContact CG1-CD1 4.43Å; V604-Y818 HydrophobicContact CG1-CD2 4.12Å; V604-Y818 HydrophobicContact CG1-CG 3.77Å
605	E	83.1	Confident	83.1	Confident	64 Å²	64	47.2 Å²	47.2	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-49.8	172.8	174.6	169.1	-155.4	0	0	111.3	E601 Y607 H608 Q609 Y818	E601-E605 VanDerWaalsContact O-CB 3.23Å; E601-E605 WeakPolarHBondContact O-CB 3.31Å; E601-E605 PolarHBondContact O-N 3.13Å; E605-Y607 VanDerWaalsContact C-N 3.33Å; E605-Y607 PolarHBondContact O-N 3.36Å; E605-H608 PolarHBondContact O-N 2.94Å; E605-Q609 HydrophobicContact CG-CG 4.4Å; E605-Q609 WeakPolarHBondContact O-CB 3.42Å; E605-Q609 WeakPolarHBondContact O-CG 3.41Å; E605-Q609 PolarHBondContact O-N 3.03Å; E605-Q609 PolarHBondContact OE1-NE2 2.95Å; E605-Y818 HydrophobicContact CB-CE2 3.8Å; E605-Y818 WeakPolarHBondContact CB-OH 3.12Å; E605-Y818 VanDerWaalsContact CG-OH 3.29Å; E605-Y818 WeakPolarHBondContact CG-OH 3.07Å
606	S	81.8	Confident	83	Confident	30 Å²	30	47.8 Å²	47.8	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-42.8	178.4	63.7	0	0	0	0	111.9	E602 S603 I610 H803	E602-S606 PolarHBondContact O-N 3.01Å; E602-S606 PolarHBondContact O-OG 3.41Å; S603-S606 WeakPolarHBondContact CA-OG 3.26Å; S603-S606 PolarHBondContact O-OG 3.17Å; S606-I610 WeakPolarHBondContact O-CD1 3.4Å; S606-I610 WeakPolarHBondContact O-CG1 3.39Å; S606-I610 PolarHBondContact O-N 2.84Å; S606-I610 VanDerWaalsContact O-N 3.09Å; S606-H803 PolarHBondContact OG-NE2 3.42Å
607	Y	84.7	Confident	83.2	Confident	13 Å²	13	47 Å²	47	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-45.3	175.3	-173.5	-91.2	0	0	0	111.5	S603 V604 E605 Q609 I610 Q611 L800 H803 L805 H806 L811	S603-Y607 WeakPolarHBondContact O-CB 3.45Å; S603-Y607 PolarHBondContact O-N 3.31Å; V604-Y607 PolarHBondContact O-N 2.9Å; E605-Y607 VanDerWaalsContact C-N 3.33Å; E605-Y607 PolarHBondContact O-N 3.36Å; Y607-Q609 PolarHBondContact O-N 3.01Å; Y607-I610 PolarHBondContact O-N 3.43Å; Y607-Q611 WeakPolarHBondContact O-CB 3.2Å; Y607-Q611 PolarHBondContact O-N 3.39Å; Y607-L800 HydrophobicContact CD2-CD1 4.08Å; Y607-L800 HydrophobicContact CE1-CD1 4.22Å; Y607-L800 HydrophobicContact CE2-CD1 3.54Å; Y607-L800 HydrophobicContact CE2-CG 3.96Å; Y607-H803 HydrophobicContact CD2-CB 3.93Å; Y607-H803 AromaticContact CD2-CG 3.62Å; Y607-H803 AromaticContact CD2-ND1 3.51Å; Y607-H803 HydrophobicContact CE2-CB 4.24Å; Y607-L805 HydrophobicContact CD2-CB 4.35Å; Y607-H806 HydrophobicContact CE2-CB 4.16Å; Y607-H806 AromaticContact CE2-ND1 4Å; Y607-H806 AromaticContact CZ-ND1 3.98Å; Y607-H806 PolarHBondContact OH-ND1 2.82Å; Y607-L811 HydrophobicContact CD1-CD1 3.57Å; Y607-L811 HydrophobicContact CE1-CD1 3.54Å; Y607-L811 HydrophobicContact CE1-CD2 3.68Å; Y607-L811 HydrophobicContact CE1-CG 4.14Å; Y607-L811 HydrophobicContact CE2-CD2 4.21Å; Y607-L811 HydrophobicContact CG-CD1 4.13Å; Y607-L811 VanDerWaalsContact CZ-CD2 3.49Å; Y607-L811 WeakPolarHBondContact OH-CD2 3.28Å
608	H	84	Confident	83.4	Confident	13 Å²	13	43.2 Å²	43.2	6%	0.06	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-40.3	-179.3	-167.4	53.2	0	0	0	112.4	V604 E605 Q611 L612 Y818 E822	V604-H608 VanDerWaalsContact O-CB 3.28Å; V604-H608 WeakPolarHBondContact O-CB 3.26Å; V604-H608 PolarHBondContact O-N 3.46Å; E605-H608 PolarHBondContact O-N 2.94Å; H608-Q611 WeakPolarHBondContact O-CB 3.32Å; H608-Q611 PolarHBondContact O-N 3.19Å; H608-L612 WeakPolarHBondContact O-CG 3.48Å; H608-L612 PolarHBondContact O-N 2.87Å; H608-Y818 HydrophobicContact CB-CD1 4.01Å; H608-Y818 HydrophobicContact CB-CE1 3.87Å; H608-Y818 AromaticContact CD2-CD1 3.9Å; H608-Y818 AromaticContact CD2-CE1 3.57Å; H608-Y818 AromaticContact CG-CD1 3.96Å; H608-Y818 AromaticContact CG-CE1 3.9Å; H608-E822 IonicContact CD2-OE2 3.67Å; H608-E822 PolarHBondContact CD2-OE2 2.69Å; H608-E822 VanDerWaalsContact CD2-OE2 3.27Å; H608-E822 IonicContact NE2-OE2 2.69Å; H608-E822 PolarHBondContact NE2-OE2 2.75Å
609	Q	84.7	Confident	83.8	Confident	71 Å²	71	44.1 Å²	44.1	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-44.6	175.6	-73	176.4	5.9	0	0	111.8	E605 Y607 Q611 L612 C613	E605-Q609 HydrophobicContact CG-CG 4.4Å; E605-Q609 WeakPolarHBondContact O-CB 3.42Å; E605-Q609 WeakPolarHBondContact O-CG 3.41Å; E605-Q609 PolarHBondContact O-N 3.03Å; E605-Q609 PolarHBondContact OE1-NE2 2.95Å; Y607-Q609 PolarHBondContact O-N 3.01Å; Q609-Q611 VanDerWaalsContact C-N 3.28Å; Q609-Q611 PolarHBondContact O-N 3.29Å; Q609-L612 PolarHBondContact O-N 3.17Å; Q609-C613 PolarHBondContact O-N 3.48Å; Q609-C613 PolarHBondContact O-SG 3.35Å; Q609-C613 VanDerWaalsContact O-SG 3.4Å
610	I	85.4	Confident	84.4	Confident	9 Å²	9	41.8 Å²	41.8	5%	0.046	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175.1	-65.7	165.1	0	0	0	110	L47 S606 Y607 C613 F614 F796 L800	L47-I610 HydrophobicContact CD2-CG1 4.42Å; S606-I610 WeakPolarHBondContact O-CD1 3.4Å; S606-I610 WeakPolarHBondContact O-CG1 3.39Å; S606-I610 PolarHBondContact O-N 2.84Å; S606-I610 VanDerWaalsContact O-N 3.09Å; Y607-I610 PolarHBondContact O-N 3.43Å; I610-C613 PolarHBondContact O-N 3.32Å; I610-F614 VanDerWaalsContact O-CB 3.28Å; I610-F614 WeakPolarHBondContact O-CB 3.49Å; I610-F614 PolarHBondContact O-N 3.16Å; I610-F796 HydrophobicContact CG2-CD1 4.08Å; I610-L800 HydrophobicContact CG2-CB 4.45Å; I610-L800 HydrophobicContact CG2-CD1 3.95Å
611	Q	84.7	Confident	84.9	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-46.1	177.2	-174.2	173.1	16.1	0	0	111.9	Y607 H608 Q609 C613 F614 D615 L800	Y607-Q611 WeakPolarHBondContact O-CB 3.2Å; Y607-Q611 PolarHBondContact O-N 3.39Å; H608-Q611 WeakPolarHBondContact O-CB 3.32Å; H608-Q611 PolarHBondContact O-N 3.19Å; Q609-Q611 VanDerWaalsContact C-N 3.28Å; Q609-Q611 PolarHBondContact O-N 3.29Å; Q611-C613 PolarHBondContact O-N 3.41Å; Q611-F614 PolarHBondContact O-N 3.42Å; Q611-D615 VanDerWaalsContact O-CB 3.23Å; Q611-D615 WeakPolarHBondContact O-CB 3.17Å; Q611-D615 PolarHBondContact O-N 3.18Å; Q611-L800 HydrophobicContact CB-CD1 4.33Å
612	L	84.8	Confident	85.5	Confident	71 Å²	71	36.6 Å²	36.6	37%	0.372	19%	0.188	S	C	.	.	H	α-helix	trans	-61.4	-44.4	177.5	-73.3	173.9	0	0	0	112.1	H608 Q609 D615 E616	H608-L612 WeakPolarHBondContact O-CG 3.48Å; H608-L612 PolarHBondContact O-N 2.87Å; Q609-L612 PolarHBondContact O-N 3.17Å; L612-D615 PolarHBondContact O-N 3.29Å; L612-E616 WeakPolarHBondContact O-CB 3.34Å; L612-E616 PolarHBondContact O-N 2.92Å
613	C	86.1	Confident	85.9	Confident	18 Å²	18	36.5 Å²	36.5	12%	0.122	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-41.1	176.1	-68.8	0	0	0	0	111.9	Q609 I610 Q611 E616 L617 F796	Q609-C613 PolarHBondContact O-N 3.48Å; Q609-C613 PolarHBondContact O-SG 3.35Å; Q609-C613 VanDerWaalsContact O-SG 3.4Å; I610-C613 PolarHBondContact O-N 3.32Å; Q611-C613 PolarHBondContact O-N 3.41Å; C613-E616 PolarHBondContact O-N 3.03Å; C613-L617 WeakPolarHBondContact O-CB 3.3Å; C613-L617 VanDerWaalsContact O-CG 3.23Å; C613-L617 WeakPolarHBondContact O-CG 3.48Å; C613-L617 PolarHBondContact O-N 3.21Å; C613-F796 HydrophobicContact CB-CD1 4.02Å; C613-F796 HydrophobicContact CB-CE1 3.51Å; C613-F796 HydrophobicContact CB-CZ 4.14Å
614	F	87.6	Confident	86.3	Confident	22 Å²	22	36.7 Å²	36.7	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-47.6	175.1	173.1	-103.6	0	0	0	111	I610 Q611 E616 L617 V618 V793 F796 Q797	I610-F614 VanDerWaalsContact O-CB 3.28Å; I610-F614 WeakPolarHBondContact O-CB 3.49Å; I610-F614 PolarHBondContact O-N 3.16Å; Q611-F614 PolarHBondContact O-N 3.42Å; F614-E616 VanDerWaalsContact C-N 3.34Å; F614-E616 PolarHBondContact O-N 2.69Å; F614-L617 PolarHBondContact O-N 3.12Å; F614-V618 HydrophobicContact CD1-CG2 4.32Å; F614-V618 HydrophobicContact CD2-CG2 4.22Å; F614-V618 HydrophobicContact CE1-CG2 3.91Å; F614-V618 HydrophobicContact CE2-CG2 3.77Å; F614-V618 HydrophobicContact CG-CG2 4.48Å; F614-V618 HydrophobicContact CZ-CG2 3.62Å; F614-V618 WeakPolarHBondContact O-CB 3.39Å; F614-V618 VanDerWaalsContact O-CG2 3.3Å; F614-V618 WeakPolarHBondContact O-CG2 3.39Å; F614-V618 PolarHBondContact O-N 2.96Å; F614-V793 HydrophobicContact CE2-CG1 3.98Å; F614-F796 HydrophobicContact CB-CB 4.26Å; F614-F796 HydrophobicContact CD2-CB 4.05Å; F614-Q797 HydrophobicContact CD2-CB 4.4Å; F614-Q797 HydrophobicContact CE2-CB 3.77Å; F614-Q797 HydrophobicContact CE2-CG 4.35Å; F614-Q797 HydrophobicContact CZ-CB 4.48Å
615	D	84.5	Confident	86.6	Confident	16 Å²	16	36.8 Å²	36.8	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-43	178.4	-81.9	-4.6	0	0	0	112	Q611 L612 G619 P697	Q611-D615 VanDerWaalsContact O-CB 3.23Å; Q611-D615 WeakPolarHBondContact O-CB 3.17Å; Q611-D615 PolarHBondContact O-N 3.18Å; L612-D615 PolarHBondContact O-N 3.29Å; D615-G619 PolarHBondContact O-N 2.95Å; D615-P697 HydrophobicContact CB-CB 3.76Å; D615-P697 HydrophobicContact CB-CG 3.57Å; D615-P697 WeakPolarHBondContact O-CG 3.5Å
616	E	87.2	Confident	87	Confident	100 Å²	100	36.5 Å²	36.5	47%	0.467	18%	0.182	S	C	.	.	H	α-helix	trans	-63.7	-47.5	174.9	-172.2	-178.4	173.6	0	0	111.9	L612 C613 F614 V618 G619 Q620	L612-E616 WeakPolarHBondContact O-CB 3.34Å; L612-E616 PolarHBondContact O-N 2.92Å; C613-E616 PolarHBondContact O-N 3.03Å; F614-E616 VanDerWaalsContact C-N 3.34Å; F614-E616 PolarHBondContact O-N 2.69Å; E616-V618 PolarHBondContact O-N 3.49Å; E616-G619 CarbonylContact O-C 3.54Å; E616-G619 WeakPolarHBondContact O-CA 3.44Å; E616-G619 PolarHBondContact O-N 3.42Å; E616-Q620 WeakPolarHBondContact O-CG 3.23Å; E616-Q620 PolarHBondContact O-N 3.4Å; E616-Q620 PolarHBondContact OE1-NE2 3.31Å
617	L	89	Confident	87.3	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-41.5	178.6	-73.8	168.8	0	0	0	112	C613 F614 G619 Q620 Q621 K792 V793 F796	C613-L617 WeakPolarHBondContact O-CB 3.3Å; C613-L617 VanDerWaalsContact O-CG 3.23Å; C613-L617 WeakPolarHBondContact O-CG 3.48Å; C613-L617 PolarHBondContact O-N 3.21Å; F614-L617 PolarHBondContact O-N 3.12Å; L617-G619 VanDerWaalsContact C-N 3.29Å; L617-G619 PolarHBondContact O-N 2.9Å; L617-Q620 PolarHBondContact O-N 3.23Å; L617-Q621 WeakPolarHBondContact O-CB 3.47Å; L617-Q621 PolarHBondContact O-N 3.31Å; L617-K792 HydrophobicContact CD1-CB 4.01Å; L617-K792 HydrophobicContact CD2-CB 4.12Å; L617-K792 HydrophobicContact CD2-CD 4.39Å; L617-V793 HydrophobicContact CB-CG2 3.71Å; L617-F796 HydrophobicContact CD1-CB 4.4Å; L617-F796 HydrophobicContact CD1-CD2 3.59Å; L617-F796 HydrophobicContact CD1-CE2 3.91Å; L617-F796 HydrophobicContact CD1-CG 3.96Å
618	V	88.5	Confident	87.4	Confident	28 Å²	28	41.8 Å²	41.8	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-40.2	172.5	170.9	0	0	0	0	110.2	F614 E616 Q621 W622 V793	F614-V618 HydrophobicContact CD1-CG2 4.32Å; F614-V618 HydrophobicContact CD2-CG2 4.22Å; F614-V618 HydrophobicContact CE1-CG2 3.91Å; F614-V618 HydrophobicContact CE2-CG2 3.77Å; F614-V618 HydrophobicContact CG-CG2 4.48Å; F614-V618 HydrophobicContact CZ-CG2 3.62Å; F614-V618 WeakPolarHBondContact O-CB 3.39Å; F614-V618 VanDerWaalsContact O-CG2 3.3Å; F614-V618 WeakPolarHBondContact O-CG2 3.39Å; F614-V618 PolarHBondContact O-N 2.96Å; E616-V618 PolarHBondContact O-N 3.49Å; V618-Q621 WeakPolarHBondContact O-CB 3.48Å; V618-Q621 PolarHBondContact O-N 3.06Å; V618-W622 VanDerWaalsContact O-CD1 3.28Å; V618-W622 PolarHBondContact O-N 3.11Å; V618-V793 HydrophobicContact CG2-CG1 4.01Å; V618-V793 HydrophobicContact CG2-CG2 4.42Å
619	G	88	Confident	87.6	Confident	27 Å²	27	46.9 Å²	46.9	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-57.2	-48.7	172.2	0	0	0	0	0	112.5	D615 E616 L617 W622 Q623	D615-G619 PolarHBondContact O-N 2.95Å; E616-G619 CarbonylContact O-C 3.54Å; E616-G619 WeakPolarHBondContact O-CA 3.44Å; E616-G619 PolarHBondContact O-N 3.42Å; L617-G619 VanDerWaalsContact C-N 3.29Å; L617-G619 PolarHBondContact O-N 2.9Å; G619-W622 PolarHBondContact O-N 3.22Å; G619-Q623 WeakPolarHBondContact O-CG 3.34Å; G619-Q623 PolarHBondContact O-N 2.78Å
620	Q	89.1	Confident	87.8	Confident	57 Å²	57	45.6 Å²	45.6	27%	0.266	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-42.4	176.8	-66	178.6	16.1	0	0	111.8	E616 L617 W622 Q623 Y624 I789	E616-Q620 WeakPolarHBondContact O-CG 3.23Å; E616-Q620 PolarHBondContact O-N 3.4Å; E616-Q620 PolarHBondContact OE1-NE2 3.31Å; L617-Q620 PolarHBondContact O-N 3.23Å; Q620-W622 VanDerWaalsContact C-N 3.3Å; Q620-W622 PolarHBondContact O-N 3Å; Q620-Q623 WeakPolarHBondContact O-CB 3.1Å; Q620-Q623 PolarHBondContact O-N 3.38Å; Q620-Q623 VanDerWaalsContact O-N 3.16Å; Q620-Y624 PolarHBondContact O-N 3.03Å; Q620-I789 HydrophobicContact CB-CD1 4.25Å; Q620-I789 HydrophobicContact CB-CG2 4.4Å
621	Q	88.8	Confident	88.1	Confident	24 Å²	24	45.1 Å²	45.1	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-55.8	-46.7	174.2	-169.5	-166.6	42.9	0	0	110.6	L617 V618 Y624 I625 F786 I789 N790 V793	L617-Q621 WeakPolarHBondContact O-CB 3.47Å; L617-Q621 PolarHBondContact O-N 3.31Å; V618-Q621 WeakPolarHBondContact O-CB 3.48Å; V618-Q621 PolarHBondContact O-N 3.06Å; Q621-Y624 PolarHBondContact O-N 3.44Å; Q621-I625 HydrophobicContact CG-CD1 4.05Å; Q621-I625 WeakPolarHBondContact O-CG1 3.29Å; Q621-I625 PolarHBondContact O-N 2.98Å; Q621-F786 HydrophobicContact CG-CE2 3.68Å; Q621-F786 HydrophobicContact CG-CZ 4.05Å; Q621-I789 HydrophobicContact CB-CG2 4Å; Q621-N790 PolarHBondContact NE2-OD1 3.07Å; Q621-V793 HydrophobicContact CB-CG2 4.36Å
622	W	90.7	Very high	88.4	Confident	32 Å²	32	46.3 Å²	46.3	12%	0.121	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-32.4	177.4	-85.8	99.6	0	0	0	113.8	V618 G619 Q620 Y624 I625 R626 V732 V733 I735	V618-W622 VanDerWaalsContact O-CD1 3.28Å; V618-W622 PolarHBondContact O-N 3.11Å; G619-W622 PolarHBondContact O-N 3.22Å; Q620-W622 VanDerWaalsContact C-N 3.3Å; Q620-W622 PolarHBondContact O-N 3Å; W622-Y624 PolarHBondContact O-N 3.48Å; W622-I625 HydrophobicContact CD2-CD1 4.4Å; W622-I625 HydrophobicContact CE3-CB 4.18Å; W622-I625 HydrophobicContact CE3-CG2 4.05Å; W622-I625 HydrophobicContact CH2-CG2 4.37Å; W622-I625 HydrophobicContact CZ3-CB 4.4Å; W622-I625 HydrophobicContact CZ3-CG2 3.76Å; W622-I625 PolarHBondContact O-N 2.95Å; W622-R626 HydrophobicContact CE3-CG 4.18Å; W622-R626 VanDerWaalsContact O-CB 3.26Å; W622-R626 WeakPolarHBondContact O-CB 3.49Å; W622-R626 VanDerWaalsContact O-CD 3.26Å; W622-R626 WeakPolarHBondContact O-CD 3.32Å; W622-R626 WeakPolarHBondContact O-CG 3.35Å; W622-R626 PolarHBondContact O-N 3.28Å; W622-V732 VanDerWaalsContact CE3-O 3.29Å; W622-V732 HydrophobicContact CZ3-CG1 4.23Å; W622-V733 WeakPolarHBondContact CZ2-O 3.48Å; W622-I735 HydrophobicContact CH2-CG1 4.43Å
623	Q	87.8	Confident	88.6	Confident	134 Å²	134	46.2 Å²	46.2	63%	0.626	23%	0.231	S	C	*	.	H	α-helix	trans	-59.4	-38.5	172.7	-73.2	178.4	12.1	0	0	111.7	G619 Q620	G619-Q623 WeakPolarHBondContact O-CG 3.34Å; G619-Q623 PolarHBondContact O-N 2.78Å; Q620-Q623 WeakPolarHBondContact O-CB 3.1Å; Q620-Q623 PolarHBondContact O-N 3.38Å; Q620-Q623 VanDerWaalsContact O-N 3.16Å
624	Y	88.6	Confident	88.9	Confident	24 Å²	24	47.3 Å²	47.3	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-69.8	-51.4	173.8	-89.1	-94.8	0	0	0	112	Q620 Q621 W622 R626 R627 Y630 D783 R785 F786 I789	Q620-Y624 PolarHBondContact O-N 3.03Å; Q621-Y624 PolarHBondContact O-N 3.44Å; W622-Y624 PolarHBondContact O-N 3.48Å; Y624-R626 PolarHBondContact O-N 3.27Å; Y624-R627 WeakPolarHBondContact O-CB 3.4Å; Y624-R627 WeakPolarHBondContact O-CG 3.38Å; Y624-R627 PolarHBondContact O-N 3.04Å; Y624-R627 VanDerWaalsContact O-N 3.08Å; Y624-Y630 WeakPolarHBondContact O-CD2 3.31Å; Y624-D783 HydrophobicContact CE1-CB 4.49Å; Y624-R785 WeakPolarHBondContact OH-CB 3.44Å; Y624-R785 WeakPolarHBondContact OH-CD 3.39Å; Y624-F786 VanDerWaalsContact CB-CD2 3.44Å; Y624-F786 HydrophobicContact CD1-CB 4.03Å; Y624-F786 HydrophobicContact CD1-CD2 4.31Å; Y624-F786 HydrophobicContact CE1-CB 4.42Å; Y624-F786 HydrophobicContact CG-CB 4.36Å; Y624-F786 AromaticContact CG-CD2 3.9Å; Y624-F786 HydrophobicContact CG-CD2 3.9Å; Y624-I789 HydrophobicContact CD2-CD1 4.03Å; Y624-I789 HydrophobicContact CE2-CD1 3.78Å
625	I	90.1	Very high	89.1	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-41.4	-178.8	-66.5	166.1	0	0	0	110.7	Q621 W622 R627 I631 P775 M779 I781 F786	Q621-I625 HydrophobicContact CG-CD1 4.05Å; Q621-I625 WeakPolarHBondContact O-CG1 3.29Å; Q621-I625 PolarHBondContact O-N 2.98Å; W622-I625 HydrophobicContact CD2-CD1 4.4Å; W622-I625 HydrophobicContact CE3-CB 4.18Å; W622-I625 HydrophobicContact CE3-CG2 4.05Å; W622-I625 HydrophobicContact CH2-CG2 4.37Å; W622-I625 HydrophobicContact CZ3-CB 4.4Å; W622-I625 HydrophobicContact CZ3-CG2 3.76Å; W622-I625 PolarHBondContact O-N 2.95Å; I625-R627 PolarHBondContact O-N 3.33Å; I625-I631 WeakPolarHBondContact O-CB 3.19Å; I625-P775 HydrophobicContact CD1-CB 4.11Å; I625-P775 HydrophobicContact CD1-CG 3.62Å; I625-P775 HydrophobicContact CG1-CB 4.18Å; I625-P775 HydrophobicContact CG1-CG 4.23Å; I625-M779 HydrophobicContact CG2-CE 4.05Å; I625-M779 HydrophobicContact CG2-SD 4.23Å; I625-I781 HydrophobicContact CG1-CD1 4.16Å; I625-F786 HydrophobicContact CD1-CE2 4.4Å; I625-F786 HydrophobicContact CD1-CZ 4.37Å; I625-F786 HydrophobicContact CG1-CE2 3.94Å; I625-F786 HydrophobicContact CG1-CZ 4.09Å
626	R	90.9	Very high	89.3	Confident	57 Å²	57	49.8 Å²	49.8	22%	0.215	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.7	-177.9	-71.7	164.4	178.2	174.1	2.9	115	W622 Y624 I631 D730 V732	W622-R626 HydrophobicContact CE3-CG 4.18Å; W622-R626 VanDerWaalsContact O-CB 3.26Å; W622-R626 WeakPolarHBondContact O-CB 3.49Å; W622-R626 VanDerWaalsContact O-CD 3.26Å; W622-R626 WeakPolarHBondContact O-CD 3.32Å; W622-R626 WeakPolarHBondContact O-CG 3.35Å; W622-R626 PolarHBondContact O-N 3.28Å; Y624-R626 PolarHBondContact O-N 3.27Å; R626-I631 HydrophobicContact CG-CD1 4.49Å; R626-D730 PolarHBondContact NH1-O 3.4Å; R626-D730 VanDerWaalsContact NH1-O 3.07Å; R626-D730 PolarHBondContact NH2-O 2.91Å; R626-D730 VanDerWaalsContact NH2-O 3.07Å; R626-V732 VanDerWaalsContact CZ-O 3.26Å; R626-V732 PolarHBondContact NE-O 3.3Å; R626-V732 PolarHBondContact NH2-O 2.71Å
627	R	88.7	Confident	89.5	Confident	90 Å²	90	48.4 Å²	48.4	34%	0.34	25%	0.245	S	C	.	.	S	Bend	trans	-58.1	133.8	176	-70.2	-179.2	178.9	176.2	3.4	109.3	Y624 I625 Q629 Y630 I631 D783	Y624-R627 WeakPolarHBondContact O-CB 3.4Å; Y624-R627 WeakPolarHBondContact O-CG 3.38Å; Y624-R627 PolarHBondContact O-N 3.04Å; Y624-R627 VanDerWaalsContact O-N 3.08Å; I625-R627 PolarHBondContact O-N 3.33Å; R627-Q629 HydrophobicContact CB-CG 4.09Å; R627-Q629 PolarHBondContact O-N 2.87Å; R627-Y630 HydrophobicContact CB-CD2 3.89Å; R627-Y630 HydrophobicContact CB-CE2 4.32Å; R627-Y630 PolarHBondContact O-N 2.95Å; R627-I631 PolarHBondContact O-N 2.87Å; R627-I631 VanDerWaalsContact O-N 3.14Å; R627-D783 IonicContact NH1-OD2 3.9Å
628	P	86.9	Confident	89.6	Confident	64 Å²	64	48.2 Å²	48.2	42%	0.416	24%	0.244	S	C	.	.	H	α-helix	trans	-54.3	-29.4	-176.3	-30	35.8	0	0	0	114.7	Y630 V632 Y674	P628-Y630 VanDerWaalsContact C-N 3.31Å; P628-Y630 PolarHBondContact O-N 2.81Å; P628-V632 HydrophobicContact CB-CG2 4.13Å; P628-V632 WeakPolarHBondContact O-CB 3.42Å; P628-V632 WeakPolarHBondContact O-CG2 3.23Å; P628-V632 PolarHBondContact O-N 3.16Å; P628-Y674 HydrophobicContact CB-CD2 4.19Å; P628-Y674 HydrophobicContact CB-CE2 3.66Å; P628-Y674 HydrophobicContact CG-CD2 4.19Å; P628-Y674 HydrophobicContact CG-CE2 4Å
629	Q	86.8	Confident	89.9	Confident	121 Å²	121	48.3 Å²	48.3	57%	0.565	24%	0.242	S	C	*	.	H	α-helix	trans	-65	-29.4	177.6	68.1	-154.1	33.6	0	0	114.3	R627	R627-Q629 HydrophobicContact CB-CG 4.09Å; R627-Q629 PolarHBondContact O-N 2.87Å
630	Y	89.7	Confident	90.1	Very high	43 Å²	43	47 Å²	47	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-101.7	-44.2	-176.9	-55.3	-53.9	0	0	0	112.2	Y624 R627 P628 P633 F634 M779 I781	Y624-Y630 WeakPolarHBondContact O-CD2 3.31Å; R627-Y630 HydrophobicContact CB-CD2 3.89Å; R627-Y630 HydrophobicContact CB-CE2 4.32Å; R627-Y630 PolarHBondContact O-N 2.95Å; P628-Y630 VanDerWaalsContact C-N 3.31Å; P628-Y630 PolarHBondContact O-N 2.81Å; Y630-P633 WeakPolarHBondContact O-CD 3.42Å; Y630-F634 WeakPolarHBondContact O-CD2 3.33Å; Y630-F634 WeakPolarHBondContact O-CE2 3.32Å; Y630-M779 VanDerWaalsContact O-CE 3.25Å; Y630-M779 WeakPolarHBondContact O-CE 3.43Å; Y630-I781 HydrophobicContact CD1-CD1 4.48Å; Y630-I781 HydrophobicContact CD1-CG1 3.83Å; Y630-I781 HydrophobicContact CD2-CD1 4.21Å; Y630-I781 HydrophobicContact CD2-CG1 4.34Å; Y630-I781 HydrophobicContact CE1-CG1 4.32Å; Y630-I781 HydrophobicContact CE1-CG2 4.32Å; Y630-I781 HydrophobicContact CE2-CG2 4.26Å; Y630-I781 HydrophobicContact CG-CD1 3.99Å; Y630-I781 HydrophobicContact CG-CG1 3.85Å
631	I	92.2	Very high	90.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-79.2	-39.3	-173	-160.6	165.9	0	0	0	113.9	I625 R626 R627 P633 F634 L635 L729 V732 I735	I625-I631 WeakPolarHBondContact O-CB 3.19Å; R626-I631 HydrophobicContact CG-CD1 4.49Å; R627-I631 PolarHBondContact O-N 2.87Å; R627-I631 VanDerWaalsContact O-N 3.14Å; I631-P633 VanDerWaalsContact C-CD 3.48Å; I631-F634 PolarHBondContact O-N 3.07Å; I631-L635 HydrophobicContact CD1-CD1 4.35Å; I631-L635 HydrophobicContact CG1-CD1 3.91Å; I631-L635 HydrophobicContact CG1-CD2 4.35Å; I631-L635 HydrophobicContact CG1-CG 4.04Å; I631-L635 HydrophobicContact CG2-CD1 4.33Å; I631-L635 WeakPolarHBondContact O-CG 3.46Å; I631-L635 PolarHBondContact O-N 3.07Å; I631-L729 HydrophobicContact CG2-CD1 4.03Å; I631-L729 HydrophobicContact CG2-CD2 4.34Å; I631-V732 HydrophobicContact CD1-CB 4.24Å; I631-V732 HydrophobicContact CD1-CG1 4.14Å; I631-I735 HydrophobicContact CD1-CD1 3.97Å; I631-I735 HydrophobicContact CG1-CD1 3.68Å
632	V	90.1	Very high	90.5	Very high	36 Å²	36	45.8 Å²	45.8	22%	0.218	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58	-41.9	-171	170	0	0	0	0	113.5	P628 F634 L635 L658 Y674	P628-V632 HydrophobicContact CB-CG2 4.13Å; P628-V632 WeakPolarHBondContact O-CB 3.42Å; P628-V632 WeakPolarHBondContact O-CG2 3.23Å; P628-V632 PolarHBondContact O-N 3.16Å; V632-F634 PolarHBondContact O-N 2.91Å; V632-F634 VanDerWaalsContact O-N 3.11Å; V632-L635 PolarHBondContact O-N 3.21Å; V632-L658 HydrophobicContact CB-CD2 4.37Å; V632-L658 HydrophobicContact CG1-CD2 3.65Å; V632-L658 HydrophobicContact CG2-CD2 4.21Å; V632-Y674 HydrophobicContact CG2-CD1 4.41Å; V632-Y674 HydrophobicContact CG2-CD2 4.49Å; V632-Y674 HydrophobicContact CG2-CE1 4.27Å; V632-Y674 HydrophobicContact CG2-CE2 4.37Å
633	P	90.1	Very high	90.5	Very high	70 Å²	70	44.2 Å²	44.2	46%	0.455	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-56.6	-27.1	177.5	-26.6	35.6	0	0	0	114.5	Y630 I631 Q636	Y630-P633 WeakPolarHBondContact O-CD 3.42Å; I631-P633 VanDerWaalsContact C-CD 3.48Å; P633-Q636 PolarHBondContact O-NE2 2.9Å
634	F	91.1	Very high	90.5	Very high	40 Å²	40	39 Å²	39	18%	0.175	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-94.3	-16.6	-176	-61.4	-85.4	0	0	0	113.5	Y630 I631 V632 Q636 R639 L773 D778 M779	Y630-F634 WeakPolarHBondContact O-CD2 3.33Å; Y630-F634 WeakPolarHBondContact O-CE2 3.32Å; I631-F634 PolarHBondContact O-N 3.07Å; V632-F634 PolarHBondContact O-N 2.91Å; V632-F634 VanDerWaalsContact O-N 3.11Å; F634-Q636 PolarHBondContact O-N 3.38Å; F634-R639 VanDerWaalsContact O-CG 3.24Å; F634-R639 WeakPolarHBondContact O-CG 3.34Å; F634-R639 PolarHBondContact O-NE 2.82Å; F634-L773 HydrophobicContact CD1-CD2 3.39Å; F634-L773 HydrophobicContact CE1-CD2 3.58Å; F634-L773 HydrophobicContact CG-CD2 4.14Å; F634-L773 HydrophobicContact CZ-CD2 4.46Å; F634-D778 WeakPolarHBondContact CZ-O 3.3Å; F634-M779 HydrophobicContact CD2-CE 3.85Å; F634-M779 HydrophobicContact CD2-CG 4.01Å; F634-M779 HydrophobicContact CE1-CG 4.3Å; F634-M779 HydrophobicContact CE2-CB 3.84Å; F634-M779 HydrophobicContact CE2-CE 4.17Å; F634-M779 HydrophobicContact CE2-CG 3.77Å; F634-M779 HydrophobicContact CG-CG 4.39Å; F634-M779 HydrophobicContact CZ-CB 4.04Å; F634-M779 HydrophobicContact CZ-CG 3.95Å
635	L	91.8	Very high	90.3	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.201	C	C	.	.			trans	-81.2	48.4	178.8	-63.2	177.3	0	0	0	112.8	I631 V632 V641 V655 L658 L676 L729	I631-L635 HydrophobicContact CD1-CD1 4.35Å; I631-L635 HydrophobicContact CG1-CD1 3.91Å; I631-L635 HydrophobicContact CG1-CD2 4.35Å; I631-L635 HydrophobicContact CG1-CG 4.04Å; I631-L635 HydrophobicContact CG2-CD1 4.33Å; I631-L635 WeakPolarHBondContact O-CG 3.46Å; I631-L635 PolarHBondContact O-N 3.07Å; V632-L635 PolarHBondContact O-N 3.21Å; L635-V641 HydrophobicContact CD2-CG1 3.67Å; L635-V655 HydrophobicContact CD2-CG2 4.17Å; L635-L658 HydrophobicContact CD1-CD1 4.28Å; L635-L676 HydrophobicContact CB-CD1 4.16Å; L635-L676 HydrophobicContact CD1-CD1 4.16Å; L635-L676 HydrophobicContact CD1-CD2 4.27Å; L635-L676 HydrophobicContact CD2-CD1 4.42Å; L635-L676 HydrophobicContact CD2-CD2 4.08Å; L635-L676 HydrophobicContact CG-CD1 4.49Å; L635-L729 HydrophobicContact CD1-CD2 3.43Å; L635-L729 VanDerWaalsContact CD1-CD2 3.43Å
636	Q	90.3	Very high	89.6	Confident	85 Å²	85	47.8 Å²	47.8	40%	0.397	24%	0.237	S	C	.	.			trans	-77.1	151.9	176	-61.8	176.8	1.2	0	0	111.1	P633 F634 G638 R639	P633-Q636 PolarHBondContact O-NE2 2.9Å; F634-Q636 PolarHBondContact O-N 3.38Å; Q636-G638 PolarHBondContact O-N 3.36Å; Q636-R639 WeakPolarHBondContact O-CB 3.35Å; Q636-R639 PolarHBondContact O-N 3.46Å
637	P	91.1	Very high	88.7	Confident	71 Å²	71	50 Å²	50	46%	0.461	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	125.9	173	-27.6	35.2	0	0	0	112.2	V655 R739	P637-V655 CarbonylContact C-O 3.58Å; P637-V655 WeakPolarHBondContact CA-O 3.15Å; P637-R739 PolarHBondContact O-NE 3.24Å; P637-R739 PolarHBondContact O-NH2 3.13Å; P637-R739 VanDerWaalsContact O-NH2 3.13Å
638	G	90.7	Very high	88.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-5.8	-176.1	0	0	0	0	0	116.2	Q636 V655 L740 V742	Q636-G638 PolarHBondContact O-N 3.36Å; G638-V655 PolarHBondContact N-O 3.26Å; G638-L740 VanDerWaalsContact CA-O 3.3Å; G638-L740 WeakPolarHBondContact CA-O 3.23Å; G638-L740 PolarHBondContact O-N 3.41Å; G638-V742 VanDerWaalsContact CA-CG2 3.47Å
639	R	94.2	Very high	88.2	Confident	30 Å²	30	48.2 Å²	48.2	11%	0.113	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	139.4	170.8	-179.8	64.9	63.9	-174.4	-0.3	109.8	F634 Q636 V641 A654 V655 I735 S736 A737	F634-R639 VanDerWaalsContact O-CG 3.24Å; F634-R639 WeakPolarHBondContact O-CG 3.34Å; F634-R639 PolarHBondContact O-NE 2.82Å; Q636-R639 WeakPolarHBondContact O-CB 3.35Å; Q636-R639 PolarHBondContact O-N 3.46Å; R639-V641 HydrophobicContact CG-CG1 4.33Å; R639-A654 CarbonylContact O-C 3.12Å; R639-A654 WeakPolarHBondContact O-CA 3.41Å; R639-V655 HydrophobicContact CB-CB 4.32Å; R639-V655 HydrophobicContact CB-CG2 4.13Å; R639-V655 WeakPolarHBondContact O-CG2 3.38Å; R639-V655 PolarHBondContact O-N 3.06Å; R639-I735 HydrophobicContact CG-CG2 3.87Å; R639-S736 WeakPolarHBondContact CD-O 3.29Å; R639-S736 PolarHBondContact NH1-O 2.7Å; R639-A737 VanDerWaalsContact NH1-C 3.25Å; R639-A737 PolarHBondContact NH1-O 3.08Å
640	L	93.1	Very high	88.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.8	173.4	-50.1	179.7	0	0	0	111	W652 G653 A654 S736 L740 I759 L770	L640-W652 HydrophobicContact CB-CE3 4.17Å; L640-G653 CarbonylContact C-O 3.6Å; L640-G653 WeakPolarHBondContact CA-O 3.48Å; L640-A654 HydrophobicContact CD2-CB 3.96Å; L640-S736 PolarHBondContact O-N 2.58Å; L640-L740 HydrophobicContact CD2-CD1 3.8Å; L640-L740 HydrophobicContact CD2-CG 4.06Å; L640-I759 HydrophobicContact CD1-CG2 4.36Å; L640-I759 HydrophobicContact CD2-CD1 3.95Å; L640-I759 HydrophobicContact CD2-CG1 3.69Å; L640-L770 HydrophobicContact CD1-CD1 3.83Å; L640-L770 HydrophobicContact CD1-CD2 4.26Å
641	V	93.3	Very high	88	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.6	-179.2	-68.2	0	0	0	0	110.9	L635 R639 I643 W652 G653 V655 L676 V732 G734	L635-V641 HydrophobicContact CD2-CG1 3.67Å; R639-V641 HydrophobicContact CG-CG1 4.33Å; V641-I643 HydrophobicContact CB-CD1 4.35Å; V641-I643 HydrophobicContact CG2-CD1 3.94Å; V641-I643 HydrophobicContact CG2-CG1 4.21Å; V641-W652 CarbonylContact O-C 3.55Å; V641-W652 WeakPolarHBondContact O-CA 3.43Å; V641-G653 PolarHBondContact N-O 3.22Å; V641-G653 PolarHBondContact O-N 3.11Å; V641-V655 HydrophobicContact CB-CG2 4.45Å; V641-V655 HydrophobicContact CG1-CG2 3.75Å; V641-V655 HydrophobicContact CG2-CG2 3.8Å; V641-L676 HydrophobicContact CG2-CD2 4.38Å; V641-V732 HydrophobicContact CB-CG1 4.35Å; V641-V732 HydrophobicContact CG1-CG1 4.43Å; V641-G734 CarbonylContact C-O 3.51Å; V641-G734 VanDerWaalsContact CA-O 3.24Å; V641-G734 WeakPolarHBondContact CA-O 3.43Å
642	K	92.2	Very high	87.9	Confident	54 Å²	54	46.6 Å²	46.6	24%	0.235	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.3	174	-167.7	179.1	-180	-179.8	0	109	G651 W652 V733 G734	K642-G651 VanDerWaalsContact CA-O 3.3Å; K642-G651 WeakPolarHBondContact CA-O 3.4Å; K642-W652 HydrophobicContact CB-CD2 3.94Å; K642-W652 HydrophobicContact CB-CE3 3.99Å; K642-W652 HydrophobicContact CB-CH2 4.29Å; K642-W652 HydrophobicContact CB-CZ2 4.26Å; K642-W652 HydrophobicContact CB-CZ3 4.14Å; K642-V733 HydrophobicContact CB-CG2 4.04Å; K642-V733 HydrophobicContact CD-CG2 4.11Å; K642-V733 HydrophobicContact CG-CG2 3.83Å; K642-V733 WeakPolarHBondContact O-CG2 3.3Å; K642-V733 PolarHBondContact O-N 2.83Å; K642-G734 PolarHBondContact N-O 2.95Å; K642-G734 PolarHBondContact O-N 2.84Å
643	I	91.4	Very high	87.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.3	-173.8	-58.7	-58.4	0	0	0	111.1	V641 V645 Y650 G651 L680 V727 C731 V732	V641-I643 HydrophobicContact CB-CD1 4.35Å; V641-I643 HydrophobicContact CG2-CD1 3.94Å; V641-I643 HydrophobicContact CG2-CG1 4.21Å; I643-V645 HydrophobicContact CG2-CG2 4.16Å; I643-Y650 HydrophobicContact CG2-CD2 4.4Å; I643-Y650 PolarHBondContact O-N 3.42Å; I643-G651 PolarHBondContact N-O 3.31Å; I643-L680 HydrophobicContact CB-CD1 4.14Å; I643-L680 HydrophobicContact CB-CD2 4.09Å; I643-L680 HydrophobicContact CG1-CD1 4.11Å; I643-L680 HydrophobicContact CG1-CD2 3.86Å; I643-L680 HydrophobicContact CG2-CD1 4.08Å; I643-V727 HydrophobicContact CD1-CG2 4.03Å; I643-V727 HydrophobicContact CG2-CG1 4.18Å; I643-C731 WeakPolarHBondContact CA-O 3.38Å; I643-C731 HydrophobicContact CG2-CB 4.13Å; I643-V732 HydrophobicContact CD1-CB 4.36Å; I643-V732 HydrophobicContact CD1-CG2 3.79Å
644	V	87.6	Confident	88	Confident	24 Å²	24	41.5 Å²	41.5	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.8	172.5	175.5	0	0	0	0	109.3	I648 C731 V733	V644-I648 CarbonylContact C-O 3.56Å; V644-I648 VanDerWaalsContact CA-O 3.31Å; V644-I648 WeakPolarHBondContact CA-O 3.5Å; V644-C731 PolarHBondContact N-O 3.37Å; V644-C731 WeakPolarHBondContact O-CA 3.41Å; V644-V733 HydrophobicContact CB-CG1 4.13Å; V644-V733 HydrophobicContact CB-CG2 4.18Å; V644-V733 HydrophobicContact CG2-CG1 4.27Å; V644-V733 HydrophobicContact CG2-CG2 3.55Å
645	V	83.9	Confident	88.1	Confident	43 Å²	43	39.6 Å²	39.6	26%	0.261	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.2	178.5	-175.7	0	0	0	0	109	I643 S647 I648 Y650 C731	I643-V645 HydrophobicContact CG2-CG2 4.16Å; V645-S647 PolarHBondContact O-N 3.48Å; V645-I648 PolarHBondContact N-O 2.91Å; V645-I648 WeakPolarHBondContact O-CB 3.32Å; V645-I648 PolarHBondContact O-N 3.02Å; V645-Y650 HydrophobicContact CB-CE2 4.08Å; V645-Y650 HydrophobicContact CG2-CD2 4.21Å; V645-Y650 HydrophobicContact CG2-CE2 3.92Å; V645-C731 HydrophobicContact CG2-CB 4.22Å
646	Q	74.9	Confident	88	Confident	169 Å²	169	41.1 Å²	41.1	79%	0.79	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	42.9	173.4	-62.5	-179.8	-24.3	0	0	113.9
647	S	73.7	Confident	88	Confident	105 Å²	105	40.5 Å²	40.5	73%	0.734	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	0.8	-176.6	-36.3	0	0	0	0	117	V645	V645-S647 PolarHBondContact O-N 3.48Å
648	I	80.4	Confident	88	Confident	80 Å²	80	39.2 Å²	39.2	41%	0.41	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.6	172.8	-57.8	176	0	0	0	108.8	V644 V645 Y650 P684	V644-I648 CarbonylContact C-O 3.56Å; V644-I648 VanDerWaalsContact CA-O 3.31Å; V644-I648 WeakPolarHBondContact CA-O 3.5Å; V645-I648 PolarHBondContact N-O 2.91Å; V645-I648 WeakPolarHBondContact O-CB 3.32Å; V645-I648 PolarHBondContact O-N 3.02Å; I648-Y650 HydrophobicContact CB-CE2 4.34Å; I648-Y650 HydrophobicContact CG2-CD2 4.28Å; I648-Y650 HydrophobicContact CG2-CE2 3.9Å; I648-P684 HydrophobicContact CG2-CB 3.42Å; I648-P684 VanDerWaalsContact CG2-CB 3.42Å; I648-P684 HydrophobicContact CG2-CG 3.46Å; I648-P684 VanDerWaalsContact CG2-CG 3.46Å
649	S	83.5	Confident	87.9	Confident	36 Å²	36	43.3 Å²	43.3	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.5	173.1	-165.3	0	0	0	0	110.9	G651 P684	S649-G651 VanDerWaalsContact C-N 3.26Å; S649-G651 PolarHBondContact OG-N 3.03Å; S649-P684 WeakPolarHBondContact O-CB 3.05Å
650	Y	84.3	Confident	87.6	Confident	58 Å²	58	48 Å²	48	23%	0.227	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-0.1	172.2	-73.2	-95.2	0	0	0	112.4	I643 V645 I648 L680 I725	I643-Y650 HydrophobicContact CG2-CD2 4.4Å; I643-Y650 PolarHBondContact O-N 3.42Å; V645-Y650 HydrophobicContact CB-CE2 4.08Å; V645-Y650 HydrophobicContact CG2-CD2 4.21Å; V645-Y650 HydrophobicContact CG2-CE2 3.92Å; I648-Y650 HydrophobicContact CB-CE2 4.34Å; I648-Y650 HydrophobicContact CG2-CD2 4.28Å; I648-Y650 HydrophobicContact CG2-CE2 3.9Å; Y650-L680 HydrophobicContact CD1-CB 4.42Å; Y650-L680 HydrophobicContact CD1-CD1 4.32Å; Y650-L680 HydrophobicContact CG-CD1 4.23Å; Y650-I725 HydrophobicContact CD1-CD1 4.29Å; Y650-I725 HydrophobicContact CE1-CD1 3.99Å
651	G	87.1	Confident	87	Confident	19 Å²	19	54.5 Å²	54.5	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.4	-152.4	-175.7	0	0	0	0	0	112.9	K642 I643 S649	K642-G651 VanDerWaalsContact CA-O 3.3Å; K642-G651 WeakPolarHBondContact CA-O 3.4Å; I643-G651 PolarHBondContact N-O 3.31Å; S649-G651 VanDerWaalsContact C-N 3.26Å; S649-G651 PolarHBondContact OG-N 3.03Å
652	W	90.2	Very high	86.2	Confident	52 Å²	52	61.4 Å²	61.4	20%	0.197	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127	-179.5	-70.3	98.6	0	0	0	111.6	L640 V641 K642 I759 L770 V772	L640-W652 HydrophobicContact CB-CE3 4.17Å; V641-W652 CarbonylContact O-C 3.55Å; V641-W652 WeakPolarHBondContact O-CA 3.43Å; K642-W652 HydrophobicContact CB-CD2 3.94Å; K642-W652 HydrophobicContact CB-CE3 3.99Å; K642-W652 HydrophobicContact CB-CH2 4.29Å; K642-W652 HydrophobicContact CB-CZ2 4.26Å; K642-W652 HydrophobicContact CB-CZ3 4.14Å; W652-I759 HydrophobicContact CB-CG2 4.41Å; W652-L770 HydrophobicContact CB-CD1 4.12Å; W652-L770 HydrophobicContact CD2-CD1 3.74Å; W652-L770 HydrophobicContact CE3-CD1 4.17Å; W652-L770 HydrophobicContact CG-CD1 3.72Å; W652-L770 HydrophobicContact CZ2-CB 4.34Å; W652-V772 HydrophobicContact CH2-CG2 4.17Å; W652-V772 HydrophobicContact CZ2-CG2 4.23Å
653	G	91	Very high	84.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	171.2	173.8	0	0	0	0	0	112.9	L640 V641 L679	L640-G653 CarbonylContact C-O 3.6Å; L640-G653 WeakPolarHBondContact CA-O 3.48Å; V641-G653 PolarHBondContact N-O 3.22Å; V641-G653 PolarHBondContact O-N 3.11Å; G653-L679 CarbonylContact C-O 3.56Å; G653-L679 WeakPolarHBondContact CA-O 3.3Å
654	A	92.3	Very high	83.4	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131	176.6	0	0	0	0	0	111.3	R639 L640 I656 C678 L679 V742 V755 I759	R639-A654 CarbonylContact O-C 3.12Å; R639-A654 WeakPolarHBondContact O-CA 3.41Å; L640-A654 HydrophobicContact CD2-CB 3.96Å; A654-I656 PolarHBondContact O-N 3Å; A654-C678 CarbonylContact O-C 3.58Å; A654-C678 WeakPolarHBondContact O-CA 3.45Å; A654-L679 PolarHBondContact N-O 3.26Å; A654-L679 PolarHBondContact O-N 2.95Å; A654-V742 HydrophobicContact CB-CG2 4.41Å; A654-V755 HydrophobicContact CB-CG1 3.83Å; A654-I759 HydrophobicContact CB-CD1 4.16Å
655	V	92.5	Very high	81.9	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.4	172.9	174.2	0	0	0	0	109.5	L635 P637 G638 R639 V641 L676	L635-V655 HydrophobicContact CD2-CG2 4.17Å; P637-V655 CarbonylContact C-O 3.58Å; P637-V655 WeakPolarHBondContact CA-O 3.15Å; G638-V655 PolarHBondContact N-O 3.26Å; R639-V655 HydrophobicContact CB-CB 4.32Å; R639-V655 HydrophobicContact CB-CG2 4.13Å; R639-V655 WeakPolarHBondContact O-CG2 3.38Å; R639-V655 PolarHBondContact O-N 3.06Å; V641-V655 HydrophobicContact CB-CG2 4.45Å; V641-V655 HydrophobicContact CG1-CG2 3.75Å; V641-V655 HydrophobicContact CG2-CG2 3.8Å; V655-L676 HydrophobicContact CB-CD1 4.33Å; V655-L676 HydrophobicContact CG1-CD1 3.52Å; V655-L676 HydrophobicContact CG2-CD1 3.95Å; V655-L676 HydrophobicContact CG2-CD2 4.24Å; V655-L676 HydrophobicContact CG2-CG 4.44Å
656	I	90.4	Very high	80.3	Confident	37 Å²	37	89.2 Å²	89.2	19%	0.19	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-49.3	176.3	-54.5	-50.3	0	0	0	110.1	A654 D677 L679 I724 V742 L746	A654-I656 PolarHBondContact O-N 3Å; I656-D677 WeakPolarHBondContact CA-O 3.25Å; I656-D677 HydrophobicContact CB-CB 4.43Å; I656-D677 WeakPolarHBondContact CB-O 3.45Å; I656-D677 PolarHBondContact N-O 3.21Å; I656-L679 HydrophobicContact CD1-CB 3.85Å; I656-L679 HydrophobicContact CG1-CB 3.97Å; I656-I724 HydrophobicContact CG1-CG1 4.43Å; I656-I724 HydrophobicContact CG1-CG2 4.43Å; I656-V742 HydrophobicContact CD1-CG1 3.88Å; I656-L746 HydrophobicContact CD1-CD1 3.47Å; I656-L746 VanDerWaalsContact CD1-CD1 3.47Å; I656-L746 HydrophobicContact CG1-CD1 4.06Å; I656-L746 HydrophobicContact CG2-CD1 4Å
657	N	89.7	Confident	79	Confident	73 Å²	73	85 Å²	85	39%	0.39	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.5	-175.7	-163.9	4.4	0	0	0	111.3	D677	N657-D677 HydrophobicContact CB-CB 4.16Å; N657-D677 PolarHBondContact N-O 2.91Å; N657-D677 PolarHBondContact O-N 3.33Å
658	L	90.7	Very high	78.2	Confident	43 Å²	43	85.8 Å²	85.8	23%	0.225	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.3	175.2	-178.7	76.5	0	0	0	109.2	V632 L635 Y674 L676 L729	V632-L658 HydrophobicContact CB-CD2 4.37Å; V632-L658 HydrophobicContact CG1-CD2 3.65Å; V632-L658 HydrophobicContact CG2-CD2 4.21Å; L635-L658 HydrophobicContact CD1-CD1 4.28Å; L658-Y674 HydrophobicContact CD1-CD1 4.26Å; L658-Y674 HydrophobicContact CD2-CD1 4.04Å; L658-Y674 HydrophobicContact CD2-CE1 4.47Å; L658-Y674 HydrophobicContact CG-CD1 4.08Å; L658-L676 HydrophobicContact CB-CD1 4.33Å; L658-L676 HydrophobicContact CD1-CB 4.16Å; L658-L676 HydrophobicContact CD1-CD1 3.82Å; L658-L729 HydrophobicContact CD1-CD2 4.33Å
659	K	89.1	Confident	76.5	Confident	87 Å²	87	86.6 Å²	86.6	38%	0.378	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.8	-176.6	-68.6	168.2	179.8	151.3	0	110.7	Y674 I675 D677	K659-Y674 CarbonylContact O-C 3.56Å; K659-Y674 WeakPolarHBondContact O-CA 3.28Å; K659-I675 PolarHBondContact N-O 2.76Å; K659-I675 PolarHBondContact O-N 3.41Å; K659-D677 WeakPolarHBondContact CE-OD2 3.19Å; K659-D677 IonicContact NZ-OD1 2.95Å; K659-D677 IonicContact NZ-OD2 3.2Å; K659-D677 PolarHBondContact NZ-OD2 3.12Å
660	K	88.3	Confident	75	Confident	127 Å²	127	90.2 Å²	90.2	55%	0.552	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.4	170.7	-169.1	176.9	-177.6	174.4	0	109.9	S672 Y674	K660-S672 VanDerWaalsContact CE-CB 3.43Å; K660-S672 WeakPolarHBondContact CE-OG 3.24Å; K660-Y674 HydrophobicContact CB-CD1 3.98Å; K660-Y674 HydrophobicContact CB-CE1 3.79Å; K660-Y674 HydrophobicContact CD-CE1 3.96Å; K660-Y674 HydrophobicContact CG-CD1 4.26Å; K660-Y674 HydrophobicContact CG-CE1 3.87Å
661	R	81.5	Confident	74.1	Confident	138 Å²	138	93.7 Å²	93.7	52%	0.521	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.4	175.7	-70.2	-168.3	176.5	175.3	-1.7	110.5	S672 F673 I675	R661-S672 CarbonylContact O-C 3.58Å; R661-S672 VanDerWaalsContact O-CA 3.29Å; R661-S672 WeakPolarHBondContact O-CA 3.37Å; R661-F673 HydrophobicContact CB-CD1 4.42Å; R661-F673 HydrophobicContact CB-CD2 4.34Å; R661-F673 HydrophobicContact CB-CE1 3.9Å; R661-F673 HydrophobicContact CB-CE2 3.82Å; R661-F673 HydrophobicContact CB-CZ 3.58Å; R661-F673 HydrophobicContact CG-CE2 4.5Å; R661-F673 HydrophobicContact CG-CZ 4.48Å; R661-F673 PolarHBondContact N-O 2.98Å; R661-F673 PolarHBondContact O-N 3.06Å; R661-I675 HydrophobicContact CG-CD1 4.41Å
662	Q	76.3	Confident	73.7	Confident	145 Å²	145	95.3 Å²	95.3	68%	0.678	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	174.6	-74	176.9	-22.2	0	0	109.1
663	R	64.1	Low	73.4	Confident	138 Å²	138	96.8 Å²	96.8	52%	0.521	47%	0.474	S	S	.	.			trans	-71	128.6	173.7	-161.5	176.3	-178.3	174.4	1.1	108.7	D665 E671 F673	R663-D665 HydrophobicContact CG-CB 4.34Å; R663-D665 IonicContact NE-OD2 3.1Å; R663-D665 PolarHBondContact NE-OD2 3.3Å; R663-D665 IonicContact NH2-OD2 3.91Å; R663-E671 PolarHBondContact N-O 3.06Å; R663-F673 HydrophobicContact CB-CE1 4.43Å
664	K	59.9	Low	73.2	Confident	201 Å²	201	98.9 Å²	98.9	87%	0.874	48%	0.482	S	S	*	.			trans	-96.4	9.5	-179.4	-77.7	-170.7	175.9	-176.6	0	113.6
665	D	55.5	Low	73.1	Confident	104 Å²	104	100 Å²	100	56%	0.556	49%	0.488	S	S	*	.	S	Bend	trans	-81.5	141.1	-179.3	-67.1	-32.4	0	0	0	111.7	R663 S667	R663-D665 HydrophobicContact CG-CB 4.34Å; R663-D665 IonicContact NE-OD2 3.1Å; R663-D665 PolarHBondContact NE-OD2 3.3Å; R663-D665 IonicContact NH2-OD2 3.91Å; D665-S667 PolarHBondContact O-N 3.06Å
666	R	50	Low	73.1	Confident	261 Å²	261	100 Å²	100	99%	0.985	49%	0.488	S	S	*	.	S	Bend	trans	-67.5	15.2	-166.6	-71.8	178.9	165.8	-179.3	-4.7	116.4
667	S	48.7	Very low	73.1	Confident	80 Å²	80	99.1 Å²	99.1	56%	0.559	48%	0.484	S	S	*	.	S	Bend	trans	-81.1	142	173.3	52.8	0	0	0	0	110.7	D665 T669	D665-S667 PolarHBondContact O-N 3.06Å; S667-T669 PolarHBondContact O-N 3.35Å
668	S	56.3	Low	73.2	Confident	123 Å²	123	95.7 Å²	95.7	86%	0.86	47%	0.465	S	S	*	.	S	Bend	trans	-64.6	12.6	-154	41.7	0	0	0	0	119.3
669	T	45.5	Very low	73.3	Confident	96 Å²	96	93.6 Å²	93.6	59%	0.589	46%	0.455	S	S	*	.	S	Bend	trans	-144.4	131.4	165.1	49	0	0	0	0	111.9	S667 E671	S667-T669 PolarHBondContact O-N 3.35Å; T669-E671 PolarHBondContact O-N 3.32Å
670	P	52.3	Low	73.3	Confident	112 Å²	112	89.5 Å²	89.5	73%	0.727	44%	0.437	S	S	*	.			trans	-73.4	94.5	176.9	28.2	-32.6	0	0	0	110.8
671	E	65.9	Low	73.1	Confident	131 Å²	131	84.6 Å²	84.6	61%	0.612	42%	0.418	S	S	*	.			trans	-77.3	122.1	170.8	-71.5	-175.9	164.7	0	0	110.8	R663 T669	R663-E671 PolarHBondContact N-O 3.06Å; T669-E671 PolarHBondContact O-N 3.32Å
672	S	77.7	Confident	72.8	Confident	54 Å²	54	79.9 Å²	79.9	38%	0.378	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.5	170.2	68.1	0	0	0	0	110.6	K660 R661	K660-S672 VanDerWaalsContact CE-CB 3.43Å; K660-S672 WeakPolarHBondContact CE-OG 3.24Å; R661-S672 CarbonylContact O-C 3.58Å; R661-S672 VanDerWaalsContact O-CA 3.29Å; R661-S672 WeakPolarHBondContact O-CA 3.37Å
673	F	83.3	Confident	72.4	Confident	82 Å²	82	76.5 Å²	76.5	36%	0.36	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.5	178.1	64.3	-85.8	0	0	0	111.4	R661 R663 I675	R661-F673 HydrophobicContact CB-CD1 4.42Å; R661-F673 HydrophobicContact CB-CD2 4.34Å; R661-F673 HydrophobicContact CB-CE1 3.9Å; R661-F673 HydrophobicContact CB-CE2 3.82Å; R661-F673 HydrophobicContact CB-CZ 3.58Å; R661-F673 HydrophobicContact CG-CE2 4.5Å; R661-F673 HydrophobicContact CG-CZ 4.48Å; R661-F673 PolarHBondContact N-O 2.98Å; R661-F673 PolarHBondContact O-N 3.06Å; R663-F673 HydrophobicContact CB-CE1 4.43Å; F673-I675 HydrophobicContact CD2-CG1 4.17Å; F673-I675 HydrophobicContact CE2-CD1 3.98Å; F673-I675 HydrophobicContact CE2-CG1 3.91Å
674	Y	88.3	Confident	71.9	Confident	45 Å²	45	72.2 Å²	72.2	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.3	-179.7	-66.9	-93.4	0	0	0	111.1	P628 V632 L658 K659 K660 L729	P628-Y674 HydrophobicContact CB-CD2 4.19Å; P628-Y674 HydrophobicContact CB-CE2 3.66Å; P628-Y674 HydrophobicContact CG-CD2 4.19Å; P628-Y674 HydrophobicContact CG-CE2 4Å; V632-Y674 HydrophobicContact CG2-CD1 4.41Å; V632-Y674 HydrophobicContact CG2-CD2 4.49Å; V632-Y674 HydrophobicContact CG2-CE1 4.27Å; V632-Y674 HydrophobicContact CG2-CE2 4.37Å; L658-Y674 HydrophobicContact CD1-CD1 4.26Å; L658-Y674 HydrophobicContact CD2-CD1 4.04Å; L658-Y674 HydrophobicContact CD2-CE1 4.47Å; L658-Y674 HydrophobicContact CG-CD1 4.08Å; K659-Y674 CarbonylContact O-C 3.56Å; K659-Y674 WeakPolarHBondContact O-CA 3.28Å; K660-Y674 HydrophobicContact CB-CD1 3.98Å; K660-Y674 HydrophobicContact CB-CE1 3.79Å; K660-Y674 HydrophobicContact CD-CE1 3.96Å; K660-Y674 HydrophobicContact CG-CD1 4.26Å; K660-Y674 HydrophobicContact CG-CE1 3.87Å; Y674-L729 HydrophobicContact CD2-CD1 4.05Å; Y674-L729 HydrophobicContact CG-CD1 4.17Å
675	I	90.2	Very high	71.2	Confident	22 Å²	22	67.2 Å²	67.2	11%	0.113	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.2	169.7	-60.1	-177.2	0	0	0	107.9	K659 R661 F673 P726	K659-I675 PolarHBondContact N-O 2.76Å; K659-I675 PolarHBondContact O-N 3.41Å; R661-I675 HydrophobicContact CG-CD1 4.41Å; F673-I675 HydrophobicContact CD2-CG1 4.17Å; F673-I675 HydrophobicContact CE2-CD1 3.98Å; F673-I675 HydrophobicContact CE2-CG1 3.91Å; I675-P726 HydrophobicContact CG2-CB 3.7Å
676	L	91.4	Very high	70.2	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.2	179.4	-176.7	69.6	0	0	0	109	L635 V641 V655 L658 C678 V727 V732	L635-L676 HydrophobicContact CB-CD1 4.16Å; L635-L676 HydrophobicContact CD1-CD1 4.16Å; L635-L676 HydrophobicContact CD1-CD2 4.27Å; L635-L676 HydrophobicContact CD2-CD1 4.42Å; L635-L676 HydrophobicContact CD2-CD2 4.08Å; L635-L676 HydrophobicContact CG-CD1 4.49Å; V641-L676 HydrophobicContact CG2-CD2 4.38Å; V655-L676 HydrophobicContact CB-CD1 4.33Å; V655-L676 HydrophobicContact CG1-CD1 3.52Å; V655-L676 HydrophobicContact CG2-CD1 3.95Å; V655-L676 HydrophobicContact CG2-CD2 4.24Å; V655-L676 HydrophobicContact CG2-CG 4.44Å; L658-L676 HydrophobicContact CB-CD1 4.33Å; L658-L676 HydrophobicContact CD1-CB 4.16Å; L658-L676 HydrophobicContact CD1-CD1 3.82Å; L676-C678 WeakPolarHBondContact CD2-SG 3.45Å; L676-C678 WeakPolarHBondContact CG-SG 3.35Å; L676-C678 PolarHBondContact O-N 2.64Å; L676-V727 HydrophobicContact CB-CG2 4.13Å; L676-V727 HydrophobicContact CD2-CG2 4.35Å; L676-V727 PolarHBondContact N-O 3.28Å; L676-V727 WeakPolarHBondContact O-CG2 3.4Å; L676-V727 PolarHBondContact O-N 3.06Å; L676-V732 HydrophobicContact CD2-CG2 4.01Å
677	D	90.9	Very high	69.3	Low	20 Å²	20	66 Å²	66	11%	0.107	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.3	172.1	-63.3	-26.2	0	0	0	108	I656 N657 K659 I724	I656-D677 WeakPolarHBondContact CA-O 3.25Å; I656-D677 HydrophobicContact CB-CB 4.43Å; I656-D677 WeakPolarHBondContact CB-O 3.45Å; I656-D677 PolarHBondContact N-O 3.21Å; N657-D677 HydrophobicContact CB-CB 4.16Å; N657-D677 PolarHBondContact N-O 2.91Å; N657-D677 PolarHBondContact O-N 3.33Å; K659-D677 WeakPolarHBondContact CE-OD2 3.19Å; K659-D677 IonicContact NZ-OD1 2.95Å; K659-D677 IonicContact NZ-OD2 3.2Å; K659-D677 PolarHBondContact NZ-OD2 3.12Å; D677-I724 HydrophobicContact CB-CG2 4.03Å
678	C	91.6	Very high	68.2	Low	0 Å²	0	69.2 Å²	69.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.8	179.3	-66.4	0	0	0	0	111.2	A654 L676 L680 I724 I725	A654-C678 CarbonylContact O-C 3.58Å; A654-C678 WeakPolarHBondContact O-CA 3.45Å; L676-C678 WeakPolarHBondContact CD2-SG 3.45Å; L676-C678 WeakPolarHBondContact CG-SG 3.35Å; L676-C678 PolarHBondContact O-N 2.64Å; C678-L680 HydrophobicContact CB-CD1 4.16Å; C678-L680 HydrophobicContact CB-CD2 4.42Å; C678-L680 HydrophobicContact CB-CG 3.95Å; C678-I724 CarbonylContact O-C 3.5Å; C678-I724 WeakPolarHBondContact O-CA 3.4Å; C678-I725 PolarHBondContact N-O 3.35Å; C678-I725 PolarHBondContact O-N 2.87Å
679	L	91.9	Very high	66.7	Low	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.9	165.6	-174	153.3	0	0	0	108.8	G653 A654 I656 A722 E723 L746 R752 V755 L756	G653-L679 CarbonylContact C-O 3.56Å; G653-L679 WeakPolarHBondContact CA-O 3.3Å; A654-L679 PolarHBondContact N-O 3.26Å; A654-L679 PolarHBondContact O-N 2.95Å; I656-L679 HydrophobicContact CD1-CB 3.85Å; I656-L679 HydrophobicContact CG1-CB 3.97Å; L679-A722 HydrophobicContact CD2-CB 4.08Å; L679-A722 HydrophobicContact CG-CB 4.48Å; L679-E723 CarbonylContact C-O 3.52Å; L679-E723 VanDerWaalsContact CA-O 3.3Å; L679-E723 WeakPolarHBondContact CA-O 3.25Å; L679-L746 HydrophobicContact CD1-CD1 4.41Å; L679-L746 HydrophobicContact CD1-CD2 4.46Å; L679-R752 HydrophobicContact CD1-CB 3.93Å; L679-R752 HydrophobicContact CD1-CG 4.11Å; L679-V755 HydrophobicContact CD1-CB 3.99Å; L679-V755 HydrophobicContact CD1-CG1 4.25Å; L679-V755 HydrophobicContact CD1-CG2 4.3Å; L679-V755 HydrophobicContact CD2-CB 4.21Å; L679-V755 HydrophobicContact CD2-CG1 4.1Å; L679-L756 HydrophobicContact CD2-CD2 3.69Å; L679-L756 HydrophobicContact CD2-CG 3.79Å
680	L	90	Very high	65.8	Low	0 Å²	0	72 Å²	72	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	162.2	-175.5	-66.3	169.5	0	0	0	110.6	I643 Y650 C678 E723 I725 V727	I643-L680 HydrophobicContact CB-CD1 4.14Å; I643-L680 HydrophobicContact CB-CD2 4.09Å; I643-L680 HydrophobicContact CG1-CD1 4.11Å; I643-L680 HydrophobicContact CG1-CD2 3.86Å; I643-L680 HydrophobicContact CG2-CD1 4.08Å; Y650-L680 HydrophobicContact CD1-CB 4.42Å; Y650-L680 HydrophobicContact CD1-CD1 4.32Å; Y650-L680 HydrophobicContact CG-CD1 4.23Å; C678-L680 HydrophobicContact CB-CD1 4.16Å; C678-L680 HydrophobicContact CB-CD2 4.42Å; C678-L680 HydrophobicContact CB-CG 3.95Å; L680-E723 PolarHBondContact N-O 3.07Å; L680-E723 PolarHBondContact O-N 3.11Å; L680-I725 HydrophobicContact CB-CD1 4.04Å; L680-I725 HydrophobicContact CD1-CB 4.17Å; L680-I725 HydrophobicContact CD1-CD1 4.17Å; L680-V727 HydrophobicContact CD1-CG1 4.4Å
681	C	84	Confident	64.6	Low	24 Å²	24	73.8 Å²	73.8	16%	0.162	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.1	169.2	-172.3	0	0	0	0	109.9	N683 P720 L756	C681-N683 VanDerWaalsContact C-N 3.28Å; C681-N683 PolarHBondContact O-N 3.3Å; C681-P720 WeakPolarHBondContact SG-CB 3.08Å; C681-L756 HydrophobicContact CB-CD1 4.22Å
682	N	74.7	Confident	62.7	Low	40 Å²	40	73.5 Å²	73.5	21%	0.214	41%	0.408	C	S	.	.	S	Bend	trans	-74.2	-14.2	-178.5	-119.9	8	0	0	0	114.3	P684 M721 E723	N682-P684 WeakPolarHBondContact O-CD 3.45Å; N682-M721 PolarHBondContact N-O 3.3Å; N682-E723 PolarHBondContact ND2-OE2 2.97Å
683	N	67.3	Low	60.3	Low	73 Å²	73	74 Å²	74	39%	0.39	42%	0.422	S	S	.	.	S	Bend	trans	-101.3	92.9	175.8	-78	-3.3	0	0	0	109.6	C681 S685 T718	C681-N683 VanDerWaalsContact C-N 3.28Å; C681-N683 PolarHBondContact O-N 3.3Å; N683-S685 PolarHBondContact O-N 3.02Å; N683-T718 PolarHBondContact ND2-O 3.14Å; N683-T718 PolarHBondContact ND2-OG1 2.77Å
684	P	55	Low	57.6	Low	48 Å²	48	74.2 Å²	74.2	31%	0.312	43%	0.434	S	S	.	.			trans	-67.4	128	173.2	27.9	-34.1	0	0	0	109.8	I648 S649 N682 R686	I648-P684 HydrophobicContact CG2-CB 3.42Å; I648-P684 VanDerWaalsContact CG2-CB 3.42Å; I648-P684 HydrophobicContact CG2-CG 3.46Å; I648-P684 VanDerWaalsContact CG2-CG 3.46Å; S649-P684 WeakPolarHBondContact O-CB 3.05Å; N682-P684 WeakPolarHBondContact O-CD 3.45Å; P684-R686 PolarHBondContact O-N 2.83Å
685	S	43.6	Very low	54.7	Low	96 Å²	96	77.8 Å²	77.8	67%	0.671	46%	0.456	S	S	*	.			trans	-63.3	113.5	167.7	43.4	0	0	0	0	109	N683	N683-S685 PolarHBondContact O-N 3.02Å
686	R	35.9	Very low	51.9	Low	223 Å²	223	80.4 Å²	80.4	84%	0.842	47%	0.473	S	S	*	.			trans	-64.5	132.2	158.5	-78.1	-178.1	171	176.2	-2.5	106.7	P684 D688	P684-R686 PolarHBondContact O-N 2.83Å; R686-D688 PolarHBondContact O-N 2.72Å
687	S	31	Very low	48.8	Very low	118 Å²	118	82.8 Å²	82.8	83%	0.825	49%	0.488	S	S	*	.	S	Bend	trans	-53.4	94.2	-178.9	53.4	0	0	0	0	111.8
688	D	24.5	Very low	45.8	Very low	147 Å²	147	86.4 Å²	86.4	79%	0.786	52%	0.515	S	S	*	.			trans	-139.3	128.5	161.5	-84.2	-36.2	0	0	0	106.5	R686	R686-D688 PolarHBondContact O-N 2.72Å
689	S	26.5	Very low	42.5	Very low	113 Å²	113	89.3 Å²	89.3	79%	0.79	55%	0.545	S	S	*	.	S	Bend	trans	74.5	112	174.7	63.1	0	0	0	0	120.2
690	D	26.7	Very low	39.4	Very low	165 Å²	165	96.5 Å²	96.5	88%	0.882	58%	0.583	S	S	*	*			trans	62	51.1	139.4	-57.6	-13.5	0	0	0	121.8
691	E	26.8	Very low	36.3	Very low	149 Å²	149	102.7 Å²	102.7	70%	0.696	62%	0.624	S	S	*	*			trans	-122.7	110.6	148.8	-78.4	-169.6	173.8	0	0	110.6	G693 K763	E691-G693 PolarHBondContact O-N 3.46Å; E691-K763 IonicContact OE1-NZ 2.93Å; E691-K763 PolarHBondContact OE1-NZ 3.17Å; E691-K763 IonicContact OE2-NZ 3.38Å
692	S	26.2	Very low	33.5	Very low	124 Å²	124	107.4 Å²	107.4	87%	0.867	65%	0.651	S	S	*	*			trans	-51.7	124.2	177.4	51	0	0	0	0	113.4
693	G	25.9	Very low	31.2	Very low	64 Å²	64	112.2 Å²	112.2	66%	0.66	68%	0.677	S	S	*	*	S	Bend	trans	74.5	79.4	151	0	0	0	0	0	117.5	E691	E691-G693 PolarHBondContact O-N 3.46Å
694	S	27.8	Very low	29.3	Very low	88 Å²	88	116.2 Å²	116.2	62%	0.615	70%	0.698	S	S	*	*			trans	167.4	81.7	143.5	40.7	0	0	0	0	109.9
695	D	27.8	Very low	27.8	Very low	119 Å²	119	121.8 Å²	121.8	64%	0.636	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-66.4	135.5	168.5	-77.1	-34.1	0	0	0	109.7
696	V	30.5	Very low	26.9	Very low	78 Å²	78	120.7 Å²	120.7	47%	0.473	73%	0.728	S	S	.	*	P	Polyproline II helix	trans	-93.7	143.9	-174.4	176.1	0	0	0	0	110.1	S698	V696-S698 PolarHBondContact O-N 2.82Å
697	P	27.2	Very low	26.5	Very low	50 Å²	50	117.1 Å²	117.1	33%	0.325	73%	0.725	S	S	.	*	P	Polyproline II helix	trans	-64.2	127.8	-171.2	-20.3	31.8	0	0	0	113.5	D615 G699	D615-P697 HydrophobicContact CB-CB 3.76Å; D615-P697 HydrophobicContact CB-CG 3.57Å; D615-P697 WeakPolarHBondContact O-CG 3.5Å; P697-G699 PolarHBondContact O-N 2.84Å; P697-G699 VanDerWaalsContact O-N 3.12Å
698	S	26.3	Very low	26.1	Very low	96 Å²	96	117.3 Å²	117.3	67%	0.671	72%	0.721	S	S	*	*			trans	-72.7	95	167.6	57.5	0	0	0	0	110.3	V696	V696-S698 PolarHBondContact O-N 2.82Å
699	G	23.6	Very low	26.2	Very low	61 Å²	61	117 Å²	117	63%	0.629	72%	0.719	S	S	*	*			trans	-87.6	138	173	0	0	0	0	0	112.8	P697	P697-G699 PolarHBondContact O-N 2.84Å; P697-G699 VanDerWaalsContact O-N 3.12Å
700	N	25.5	Very low	26.2	Very low	150 Å²	150	116.9 Å²	116.9	80%	0.802	72%	0.718	S	S	*	*			trans	-58	148.4	179.9	-74.5	-32.6	0	0	0	113.8	V702	N700-V702 PolarHBondContact O-N 3.23Å
701	P	24.8	Very low	26.1	Very low	131 Å²	131	114.2 Å²	114.2	85%	0.851	71%	0.708	S	S	*	*			trans	-76.1	106.7	-179.9	29.9	-31	0	0	0	110.8
702	V	26.5	Very low	26	Very low	122 Å²	122	112.4 Å²	112.4	74%	0.739	71%	0.707	S	S	*	*			trans	-108.1	113.1	165.9	-176.9	0	0	0	0	108.7	N700	N700-V702 PolarHBondContact O-N 3.23Å
703	D	26.7	Very low	26.1	Very low	142 Å²	142	112 Å²	112	76%	0.759	70%	0.701	S	S	*	*			trans	50.3	112.9	157	-60.6	-30.1	0	0	0	121	L705	D703-L705 PolarHBondContact O-N 3.04Å; D703-L705 VanDerWaalsContact O-N 3.13Å
704	N	25.5	Very low	26.1	Very low	156 Å²	156	114.6 Å²	114.6	83%	0.834	71%	0.705	S	S	*	*			trans	-63	99.7	167.7	-78	-34.7	0	0	0	111.6
705	L	24.7	Very low	26.1	Very low	166 Å²	166	113.5 Å²	113.5	87%	0.869	71%	0.707	S	S	*	*			trans	-132.1	103.5	155.2	-93.2	109.7	0	0	0	111.3	D703	D703-L705 PolarHBondContact O-N 3.04Å; D703-L705 VanDerWaalsContact O-N 3.13Å
706	G	24.6	Very low	26.2	Very low	72 Å²	72	112.6 Å²	112.6	74%	0.742	71%	0.71	S	S	*	*	S	Bend	trans	84.3	58.4	140.6	0	0	0	0	0	119
707	I	27.8	Very low	26.6	Very low	149 Å²	149	117.2 Å²	117.2	76%	0.764	73%	0.732	S	S	*	*			trans	-133.3	94.4	138.9	-57.7	-177.3	0	0	0	108.2	N709	I707-N709 PolarHBondContact O-N 3.04Å
708	T	22.9	Very low	27.3	Very low	122 Å²	122	119 Å²	119	75%	0.748	74%	0.742	S	S	*	*			trans	-63	115.3	161.7	50.6	0	0	0	0	108.6
709	N	25.6	Very low	28.4	Very low	141 Å²	141	121.4 Å²	121.4	75%	0.754	75%	0.747	S	S	*	*			trans	169.3	107	136	-83.3	-11.4	0	0	0	110	I707 V711	I707-N709 PolarHBondContact O-N 3.04Å; N709-V711 PolarHBondContact O-N 3.05Å
710	S	26.6	Very low	30	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	74%	0.737	S	S	*	*			trans	-11.5	104	147.2	55.6	0	0	0	0	116.2
711	V	25.4	Very low	32.4	Very low	110 Å²	110	118.6 Å²	118.6	67%	0.667	72%	0.719	S	S	*	*			trans	-137.9	89.4	141.9	-175.1	0	0	0	0	106.8	N709	N709-V711 PolarHBondContact O-N 3.05Å
712	T	24.9	Very low	35.1	Very low	110 Å²	110	112.9 Å²	112.9	68%	0.675	68%	0.683	S	S	*	*			trans	-73.9	128.2	163.3	35.5	0	0	0	0	107.9	T714	T712-T714 VanDerWaalsContact C-N 3.3Å; T712-T714 PolarHBondContact O-N 2.87Å
713	P	27.2	Very low	38	Very low	115 Å²	115	110.8 Å²	110.8	75%	0.747	67%	0.665	S	S	*	*			trans	-74.4	90.3	173.4	28.8	-30	0	0	0	108.2
714	T	26.6	Very low	41	Very low	120 Å²	120	106.9 Å²	106.9	74%	0.736	64%	0.644	S	S	*	*			trans	-63.1	135.7	161.4	44	0	0	0	0	108.2	T712	T712-T714 VanDerWaalsContact C-N 3.3Å; T712-T714 PolarHBondContact O-N 2.87Å
715	G	26.4	Very low	44	Very low	64 Å²	64	101.1 Å²	101.1	66%	0.66	61%	0.612	S	S	*	*			trans	-63.8	-179.5	-169.1	0	0	0	0	0	115.9
716	S	31.7	Very low	47.2	Very low	101 Å²	101	96.9 Å²	96.9	71%	0.706	60%	0.595	S	S	*	*	S	Bend	trans	76.4	112.3	172.1	69.5	0	0	0	0	116.9	T718	S716-T718 VanDerWaalsContact C-N 3.27Å; S716-T718 PolarHBondContact O-N 3.34Å
717	D	39	Very low	50.3	Low	174 Å²	174	94 Å²	94	93%	0.93	56%	0.563	S	S	*	*			trans	38.1	35.3	146.5	-62.3	-16.8	0	0	0	119.4
718	T	41.3	Very low	53.3	Low	87 Å²	87	93.4 Å²	93.4	53%	0.534	55%	0.551	S	S	.	*			trans	-82.9	119.1	171.8	44.5	0	0	0	0	109.9	N683 S716	N683-T718 PolarHBondContact ND2-O 3.14Å; N683-T718 PolarHBondContact ND2-OG1 2.77Å; S716-T718 VanDerWaalsContact C-N 3.27Å; S716-T718 PolarHBondContact O-N 3.34Å
719	L	49.9	Very low	56.4	Low	147 Å²	147	88.3 Å²	88.3	77%	0.77	52%	0.519	S	S	*	.			trans	-50.1	142.5	173	-78.3	148.2	0	0	0	110.8	M721	L719-M721 WeakPolarHBondContact O-CG 3.47Å; L719-M721 PolarHBondContact O-N 3.41Å
720	P	57.5	Low	59.4	Low	67 Å²	67	84.8 Å²	84.8	44%	0.435	50%	0.5	S	S	.	.			trans	-56.7	110	-179.4	21.8	-32.3	0	0	0	110.8	C681 Q753	C681-P720 WeakPolarHBondContact SG-CB 3.08Å; P720-Q753 PolarHBondContact O-OE1 3.37Å
721	M	74.4	Confident	62.4	Low	86 Å²	86	80.3 Å²	80.3	42%	0.424	47%	0.469	S	S	.	.			trans	-94.6	133.7	-179.1	-67.8	-166.2	72.1	0	0	111.8	N682 L719 K749	N682-M721 PolarHBondContact N-O 3.3Å; L719-M721 WeakPolarHBondContact O-CG 3.47Å; L719-M721 PolarHBondContact O-N 3.41Å; M721-K749 HydrophobicContact CE-CD 4.25Å
722	A	82.3	Confident	65.5	Low	10 Å²	10	75 Å²	75	8%	0.083	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.1	175.9	0	0	0	0	0	112.7	L679 R752 L756	L679-A722 HydrophobicContact CD2-CB 4.08Å; L679-A722 HydrophobicContact CG-CB 4.48Å; A722-R752 VanDerWaalsContact CB-C 3.5Å; A722-R752 HydrophobicContact CB-CB 3.61Å; A722-R752 WeakPolarHBondContact CB-O 3.48Å; A722-R752 WeakPolarHBondContact O-CD 3.46Å; A722-L756 HydrophobicContact CB-CD1 3.48Å; A722-L756 VanDerWaalsContact CB-CD1 3.48Å; A722-L756 HydrophobicContact CB-CG 3.7Å
723	E	87.5	Confident	68.6	Low	79 Å²	79	71.1 Å²	71.1	37%	0.369	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.5	174.9	-69.2	-159.3	157.7	0	0	112.6	L679 L680 N682 I725	L679-E723 CarbonylContact C-O 3.52Å; L679-E723 VanDerWaalsContact CA-O 3.3Å; L679-E723 WeakPolarHBondContact CA-O 3.25Å; L680-E723 PolarHBondContact N-O 3.07Å; L680-E723 PolarHBondContact O-N 3.11Å; N682-E723 PolarHBondContact ND2-OE2 2.97Å; E723-I725 HydrophobicContact CB-CG1 4.47Å
724	I	88.8	Confident	71.6	Confident	60 Å²	60	65.8 Å²	65.8	31%	0.308	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.5	175.9	-57.9	174	0	0	0	107.7	I656 D677 C678 L746	I656-I724 HydrophobicContact CG1-CG1 4.43Å; I656-I724 HydrophobicContact CG1-CG2 4.43Å; D677-I724 HydrophobicContact CB-CG2 4.03Å; C678-I724 CarbonylContact O-C 3.5Å; C678-I724 WeakPolarHBondContact O-CA 3.4Å; I724-L746 HydrophobicContact CD1-CB 4.05Å; I724-L746 HydrophobicContact CD1-CD1 4.11Å
725	I	89.7	Confident	74.7	Confident	35 Å²	35	60.3 Å²	60.3	18%	0.179	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.8	-175.5	-52.7	-177.8	0	0	0	108.8	Y650 C678 L680 E723 V727	Y650-I725 HydrophobicContact CD1-CD1 4.29Å; Y650-I725 HydrophobicContact CE1-CD1 3.99Å; C678-I725 PolarHBondContact N-O 3.35Å; C678-I725 PolarHBondContact O-N 2.87Å; L680-I725 HydrophobicContact CB-CD1 4.04Å; L680-I725 HydrophobicContact CD1-CB 4.17Å; L680-I725 HydrophobicContact CD1-CD1 4.17Å; E723-I725 HydrophobicContact CB-CG1 4.47Å; I725-V727 HydrophobicContact CG2-CG1 3.98Å; I725-V727 PolarHBondContact O-N 2.94Å
726	P	90.3	Very high	77.8	Confident	77 Å²	77	57.2 Å²	57.2	50%	0.5	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.3	172	29.8	-31.2	0	0	0	109.9	I675	I675-P726 HydrophobicContact CG2-CB 3.7Å
727	V	90.9	Very high	80.5	Confident	12 Å²	12	54.7 Å²	54.7	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.1	179.2	-60.1	0	0	0	0	111.2	I643 L676 L680 I725 C731	I643-V727 HydrophobicContact CD1-CG2 4.03Å; I643-V727 HydrophobicContact CG2-CG1 4.18Å; L676-V727 HydrophobicContact CB-CG2 4.13Å; L676-V727 HydrophobicContact CD2-CG2 4.35Å; L676-V727 PolarHBondContact N-O 3.28Å; L676-V727 WeakPolarHBondContact O-CG2 3.4Å; L676-V727 PolarHBondContact O-N 3.06Å; L680-V727 HydrophobicContact CD1-CG1 4.4Å; I725-V727 HydrophobicContact CG2-CG1 3.98Å; I725-V727 PolarHBondContact O-N 2.94Å; V727-C731 HydrophobicContact CB-CB 4.22Å
728	R	90.3	Very high	82.8	Confident	135 Å²	135	47.6 Å²	47.6	51%	0.509	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	160.4	173.2	-72.8	-172.2	-58.9	144.6	9.4	109.9	D730 C731	R728-D730 WeakPolarHBondContact CB-OD1 3.31Å; R728-D730 IonicContact CZ-OD1 3.71Å; R728-D730 IonicContact CZ-OD2 3.5Å; R728-D730 IonicContact NE-OD1 3.5Å; R728-D730 IonicContact NE-OD2 3.02Å; R728-D730 IonicContact NH1-OD2 3.25Å; R728-D730 PolarHBondContact NH1-OD2 2.85Å; R728-D730 IonicContact NH2-OD1 2.81Å; R728-D730 IonicContact NH2-OD2 3.06Å; R728-D730 PolarHBondContact NH2-OD2 3.28Å; R728-D730 PolarHBondContact O-N 2.81Å; R728-C731 WeakPolarHBondContact O-CB 3.37Å; R728-C731 PolarHBondContact O-N 3.43Å; R728-C731 VanDerWaalsContact O-N 3.08Å
729	L	88.7	Confident	85.1	Confident	16 Å²	16	49.8 Å²	49.8	8%	0.084	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-62.6	-26.7	-179	-65.9	-178.8	0	0	0	113.3	I631 L635 L658 Y674 C731 V732	I631-L729 HydrophobicContact CG2-CD1 4.03Å; I631-L729 HydrophobicContact CG2-CD2 4.34Å; L635-L729 HydrophobicContact CD1-CD2 3.43Å; L635-L729 VanDerWaalsContact CD1-CD2 3.43Å; L658-L729 HydrophobicContact CD1-CD2 4.33Å; Y674-L729 HydrophobicContact CD2-CD1 4.05Å; Y674-L729 HydrophobicContact CG-CD1 4.17Å; L729-C731 PolarHBondContact O-N 3.42Å; L729-V732 PolarHBondContact O-N 3.43Å
730	D	87.7	Confident	87	Confident	67 Å²	67	43.9 Å²	43.9	36%	0.358	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-66	-14.8	175.2	64.7	-22.3	0	0	0	113.7	R626 R728	R626-D730 PolarHBondContact NH1-O 3.4Å; R626-D730 VanDerWaalsContact NH1-O 3.07Å; R626-D730 PolarHBondContact NH2-O 2.91Å; R626-D730 VanDerWaalsContact NH2-O 3.07Å; R728-D730 WeakPolarHBondContact CB-OD1 3.31Å; R728-D730 IonicContact CZ-OD1 3.71Å; R728-D730 IonicContact CZ-OD2 3.5Å; R728-D730 IonicContact NE-OD1 3.5Å; R728-D730 IonicContact NE-OD2 3.02Å; R728-D730 IonicContact NH1-OD2 3.25Å; R728-D730 PolarHBondContact NH1-OD2 2.85Å; R728-D730 IonicContact NH2-OD1 2.81Å; R728-D730 IonicContact NH2-OD2 3.06Å; R728-D730 PolarHBondContact NH2-OD2 3.28Å; R728-D730 PolarHBondContact O-N 2.81Å
731	C	89.9	Confident	88.3	Confident	14 Å²	14	47.7 Å²	47.7	10%	0.095	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-86	-9.7	177.3	-53.8	0	0	0	0	112.9	I643 V644 V645 V727 R728 L729	I643-C731 WeakPolarHBondContact CA-O 3.38Å; I643-C731 HydrophobicContact CG2-CB 4.13Å; V644-C731 PolarHBondContact N-O 3.37Å; V644-C731 WeakPolarHBondContact O-CA 3.41Å; V645-C731 HydrophobicContact CG2-CB 4.22Å; V727-C731 HydrophobicContact CB-CB 4.22Å; R728-C731 WeakPolarHBondContact O-CB 3.37Å; R728-C731 PolarHBondContact O-N 3.43Å; R728-C731 VanDerWaalsContact O-N 3.08Å; L729-C731 PolarHBondContact O-N 3.42Å
732	V	90.9	Very high	88.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.9	-178.1	-175.2	0	0	0	0	110.2	W622 R626 I631 V641 I643 L676 L729 I735	W622-V732 VanDerWaalsContact CE3-O 3.29Å; W622-V732 HydrophobicContact CZ3-CG1 4.23Å; R626-V732 VanDerWaalsContact CZ-O 3.26Å; R626-V732 PolarHBondContact NE-O 3.3Å; R626-V732 PolarHBondContact NH2-O 2.71Å; I631-V732 HydrophobicContact CD1-CB 4.24Å; I631-V732 HydrophobicContact CD1-CG1 4.14Å; V641-V732 HydrophobicContact CB-CG1 4.35Å; V641-V732 HydrophobicContact CG1-CG1 4.43Å; I643-V732 HydrophobicContact CD1-CB 4.36Å; I643-V732 HydrophobicContact CD1-CG2 3.79Å; L676-V732 HydrophobicContact CD2-CG2 4.01Å; L729-V732 PolarHBondContact O-N 3.43Å; V732-I735 HydrophobicContact CG1-CG1 4.15Å
733	V	89.7	Confident	89	Confident	28 Å²	28	47.5 Å²	47.5	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	9.6	179.5	-62.6	0	0	0	0	113.1	W622 K642 V644	W622-V733 WeakPolarHBondContact CZ2-O 3.48Å; K642-V733 HydrophobicContact CB-CG2 4.04Å; K642-V733 HydrophobicContact CD-CG2 4.11Å; K642-V733 HydrophobicContact CG-CG2 3.83Å; K642-V733 WeakPolarHBondContact O-CG2 3.3Å; K642-V733 PolarHBondContact O-N 2.83Å; V644-V733 HydrophobicContact CB-CG1 4.13Å; V644-V733 HydrophobicContact CB-CG2 4.18Å; V644-V733 HydrophobicContact CG2-CG1 4.27Å; V644-V733 HydrophobicContact CG2-CG2 3.55Å
734	G	90.4	Very high	88.6	Confident	3 Å²	3	52.4 Å²	52.4	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	144.1	175.5	0	0	0	0	0	110.8	V641 K642	V641-G734 CarbonylContact C-O 3.51Å; V641-G734 VanDerWaalsContact CA-O 3.24Å; V641-G734 WeakPolarHBondContact CA-O 3.43Å; K642-G734 PolarHBondContact N-O 2.95Å; K642-G734 PolarHBondContact O-N 2.84Å
735	I	91.8	Very high	88.4	Confident	4 Å²	4	53 Å²	53	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.7	174.9	-50.2	173.6	0	0	0	107.1	W622 I631 R639 V732 V772 L773 M779	W622-I735 HydrophobicContact CH2-CG1 4.43Å; I631-I735 HydrophobicContact CD1-CD1 3.97Å; I631-I735 HydrophobicContact CG1-CD1 3.68Å; R639-I735 HydrophobicContact CG-CG2 3.87Å; V732-I735 HydrophobicContact CG1-CG1 4.15Å; I735-V772 CarbonylContact O-C 3.51Å; I735-V772 WeakPolarHBondContact O-CA 3.38Å; I735-V772 WeakPolarHBondContact O-CG1 3.32Å; I735-L773 HydrophobicContact CB-CD1 4.29Å; I735-L773 HydrophobicContact CG2-CD1 3.66Å; I735-L773 PolarHBondContact O-N 2.84Å; I735-M779 HydrophobicContact CD1-CE 4.4Å; I735-M779 HydrophobicContact CD1-SD 4.28Å
736	S	91.5	Very high	88	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	142.7	-179.7	-175	0	0	0	0	111.2	R639 L640 V738 P771 L773	R639-S736 WeakPolarHBondContact CD-O 3.29Å; R639-S736 PolarHBondContact NH1-O 2.7Å; L640-S736 PolarHBondContact O-N 2.58Å; S736-V738 PolarHBondContact O-N 3.25Å; S736-V738 PolarHBondContact OG-N 2.76Å; S736-V738 VanDerWaalsContact OG-N 3.17Å; S736-P771 CarbonylContact C-O 3.5Å; S736-P771 WeakPolarHBondContact CA-O 3.15Å; S736-P771 PolarHBondContact OG-O 3.35Å; S736-L773 VanDerWaalsContact C-CD1 3.48Å; S736-L773 WeakPolarHBondContact O-CD1 3.35Å
737	A	87.7	Confident	87.6	Confident	47 Å²	47	57.7 Å²	57.7	39%	0.388	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	-23.5	169.1	0	0	0	0	0	112.2	R639 P771	R639-A737 VanDerWaalsContact NH1-C 3.25Å; R639-A737 PolarHBondContact NH1-O 3.08Å; A737-P771 HydrophobicContact CB-CB 4.34Å; A737-P771 HydrophobicContact CB-CG 4.29Å; A737-P771 PolarHBondContact N-O 2.99Å
738	V	88.2	Confident	87.3	Confident	26 Å²	26	59.9 Å²	59.9	16%	0.158	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	140.7	179.7	-170.8	0	0	0	0	112	S736 V762 M766 P771	S736-V738 PolarHBondContact O-N 3.25Å; S736-V738 PolarHBondContact OG-N 2.76Å; S736-V738 VanDerWaalsContact OG-N 3.17Å; V738-V762 HydrophobicContact CB-CG1 4.39Å; V738-V762 HydrophobicContact CG1-CG1 3.84Å; V738-V762 HydrophobicContact CG2-CG1 4.35Å; V738-M766 HydrophobicContact CG2-CE 3.91Å; V738-P771 HydrophobicContact CG2-CG 3.84Å
739	R	89.8	Confident	86.9	Confident	133 Å²	133	60.8 Å²	60.8	50%	0.502	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.7	172.2	-175.9	178.1	171.1	-158.2	-10.7	110	P637	P637-R739 PolarHBondContact O-NE 3.24Å; P637-R739 PolarHBondContact O-NH2 3.13Å; P637-R739 VanDerWaalsContact O-NH2 3.13Å
740	L	88.5	Confident	86.6	Confident	22 Å²	22	67.8 Å²	67.8	12%	0.115	35%	0.349	C	S	.	.			trans	-88.7	152.2	172.6	-67.9	-178	0	0	0	111.1	G638 L640 V742 A758 I759 V762	G638-L740 VanDerWaalsContact CA-O 3.3Å; G638-L740 WeakPolarHBondContact CA-O 3.23Å; G638-L740 PolarHBondContact O-N 3.41Å; L640-L740 HydrophobicContact CD2-CD1 3.8Å; L640-L740 HydrophobicContact CD2-CG 4.06Å; L740-V742 PolarHBondContact O-N 3.02Å; L740-A758 HydrophobicContact CD1-CB 4.05Å; L740-A758 HydrophobicContact CD2-CB 4.5Å; L740-I759 HydrophobicContact CD1-CB 4.47Å; L740-I759 HydrophobicContact CD1-CG1 3.54Å; L740-V762 HydrophobicContact CD2-CG2 3.67Å
741	V	86.6	Confident	86.5	Confident	148 Å²	148	65.7 Å²	65.7	90%	0.897	34%	0.341	S	S	*	.			trans	-83.5	111.7	163.4	-179.4	0	0	0	0	107.4
742	V	86.1	Confident	86.3	Confident	27 Å²	27	67.9 Å²	67.9	16%	0.164	35%	0.347	C	S	.	.			trans	-94	133.8	-180	179.7	0	0	0	0	109.4	G638 A654 I656 L740 L746 V755	G638-V742 VanDerWaalsContact CA-CG2 3.47Å; A654-V742 HydrophobicContact CB-CG2 4.41Å; I656-V742 HydrophobicContact CD1-CG1 3.88Å; L740-V742 PolarHBondContact O-N 3.02Å; V742-L746 HydrophobicContact CG1-CD1 3.78Å; V742-L746 HydrophobicContact CG1-CD2 4.19Å; V742-L746 HydrophobicContact CG1-CG 4.34Å; V742-V755 HydrophobicContact CG1-CG2 4.19Å
743	P	83.5	Confident	86.1	Confident	65 Å²	65	70.6 Å²	70.6	42%	0.422	36%	0.36	S	S	.	.			trans	-57.3	143.3	175.3	-23.9	33.2	0	0	0	112.7	D745 L746	P743-D745 VanDerWaalsContact C-N 3.26Å; P743-D745 PolarHBondContact O-N 3.16Å; P743-L746 HydrophobicContact CB-CD2 4.46Å
744	N	80.6	Confident	85.9	Confident	181 Å²	181	71 Å²	71	97%	0.968	37%	0.37	S	S	*	.	S	Bend	trans	-66.3	-26.6	178.8	-69.4	-18	0	0	0	113.3
745	D	83.9	Confident	85.8	Confident	72 Å²	72	71.1 Å²	71.1	39%	0.385	37%	0.37	S	S	.	.			trans	-112.4	107.7	177.9	-166	-5.6	0	0	0	110.7	P743 R747	P743-D745 VanDerWaalsContact C-N 3.26Å; P743-D745 PolarHBondContact O-N 3.16Å; D745-R747 WeakPolarHBondContact OD1-CB 3.19Å; D745-R747 WeakPolarHBondContact OD1-CG 3.39Å; D745-R747 IonicContact OD1-CZ 3.36Å; D745-R747 PolarHBondContact OD1-N 3.22Å; D745-R747 IonicContact OD1-NE 3.17Å; D745-R747 PolarHBondContact OD1-NE 2.94Å; D745-R747 IonicContact OD1-NH2 2.72Å; D745-R747 IonicContact OD2-CZ 2.69Å; D745-R747 IonicContact OD2-NE 3.67Å; D745-R747 PolarHBondContact OD2-NE 2.95Å; D745-R747 VanDerWaalsContact OD2-NE 3.17Å; D745-R747 IonicContact OD2-NH2 3.8Å; D745-R747 PolarHBondContact OD2-NH2 3.47Å
746	L	82	Confident	85.5	Confident	16 Å²	16	72 Å²	72	8%	0.084	38%	0.375	C	S	.	.			trans	-107.9	24.6	175.5	-63.6	172.5	0	0	0	111.6	I656 L679 I724 V742 P743 A751 R752 V755	I656-L746 HydrophobicContact CD1-CD1 3.47Å; I656-L746 VanDerWaalsContact CD1-CD1 3.47Å; I656-L746 HydrophobicContact CG1-CD1 4.06Å; I656-L746 HydrophobicContact CG2-CD1 4Å; L679-L746 HydrophobicContact CD1-CD1 4.41Å; L679-L746 HydrophobicContact CD1-CD2 4.46Å; I724-L746 HydrophobicContact CD1-CB 4.05Å; I724-L746 HydrophobicContact CD1-CD1 4.11Å; V742-L746 HydrophobicContact CG1-CD1 3.78Å; V742-L746 HydrophobicContact CG1-CD2 4.19Å; V742-L746 HydrophobicContact CG1-CG 4.34Å; P743-L746 HydrophobicContact CB-CD2 4.46Å; L746-A751 HydrophobicContact CD2-CB 4.35Å; L746-R752 HydrophobicContact CB-CG 4.26Å; L746-R752 PolarHBondContact O-NE 2.99Å; L746-R752 PolarHBondContact O-NH2 3.46Å; L746-R752 VanDerWaalsContact O-NH2 3.14Å; L746-V755 HydrophobicContact CD2-CG2 3.99Å
747	R	82	Confident	85.3	Confident	196 Å²	196	75.2 Å²	75.2	74%	0.74	39%	0.392	S	S	*	.			trans	-72.2	-35.5	175	-69.7	178.3	-67.5	177.6	0.9	112.2	D745	D745-R747 WeakPolarHBondContact OD1-CB 3.19Å; D745-R747 WeakPolarHBondContact OD1-CG 3.39Å; D745-R747 IonicContact OD1-CZ 3.36Å; D745-R747 PolarHBondContact OD1-N 3.22Å; D745-R747 IonicContact OD1-NE 3.17Å; D745-R747 PolarHBondContact OD1-NE 2.94Å; D745-R747 IonicContact OD1-NH2 2.72Å; D745-R747 IonicContact OD2-CZ 2.69Å; D745-R747 IonicContact OD2-NE 3.67Å; D745-R747 PolarHBondContact OD2-NE 2.95Å; D745-R747 VanDerWaalsContact OD2-NE 3.17Å; D745-R747 IonicContact OD2-NH2 3.8Å; D745-R747 PolarHBondContact OD2-NH2 3.47Å
748	S	83.4	Confident	85.2	Confident	58 Å²	58	74.6 Å²	74.6	41%	0.406	39%	0.386	S	S	.	.	S	Bend	trans	-77.4	140.1	178.4	69.5	0	0	0	0	111.5	E750 A751 R752	S748-E750 PolarHBondContact O-N 2.93Å; S748-A751 PolarHBondContact O-N 3.17Å; S748-A751 WeakPolarHBondContact OG-CB 3.35Å; S748-A751 PolarHBondContact OG-N 3.47Å; S748-R752 PolarHBondContact O-N 3.43Å
749	K	81.9	Confident	85.2	Confident	154 Å²	154	73.9 Å²	73.9	67%	0.67	38%	0.382	S	S	*	.	H	α-helix	trans	-61	-36.2	175.7	-70.3	-175.2	176.2	-177	0	111.7	M721 R752 Q753	M721-K749 HydrophobicContact CE-CD 4.25Å; K749-R752 PolarHBondContact O-N 3.23Å; K749-Q753 PolarHBondContact O-N 3.3Å
750	E	82.9	Confident	85	Confident	163 Å²	163	73.5 Å²	73.5	76%	0.762	39%	0.386	S	S	*	.	H	α-helix	trans	-62.4	-42.2	176.7	-65.3	173.9	-175.1	0	0	112.6	S748 R752 Q753 G754	S748-E750 PolarHBondContact O-N 2.93Å; E750-R752 VanDerWaalsContact C-N 3.35Å; E750-R752 PolarHBondContact O-N 3.05Å; E750-Q753 PolarHBondContact O-N 2.95Å; E750-G754 PolarHBondContact O-N 2.86Å
751	A	84.6	Confident	84.9	Confident	22 Å²	22	79.7 Å²	79.7	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-64.4	-40.8	177.2	0	0	0	0	0	111.5	L746 S748 G754 V755	L746-A751 HydrophobicContact CD2-CB 4.35Å; S748-A751 PolarHBondContact O-N 3.17Å; S748-A751 WeakPolarHBondContact OG-CB 3.35Å; S748-A751 PolarHBondContact OG-N 3.47Å; A751-G754 PolarHBondContact O-N 3.38Å; A751-V755 PolarHBondContact O-N 3.23Å
752	R	87.4	Confident	85	Confident	61 Å²	61	73.7 Å²	73.7	23%	0.23	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-45.3	176.4	-63	-178.8	-169.4	163.8	4.3	111.9	L679 A722 L746 S748 K749 E750 G754 V755 L756	L679-R752 HydrophobicContact CD1-CB 3.93Å; L679-R752 HydrophobicContact CD1-CG 4.11Å; A722-R752 VanDerWaalsContact CB-C 3.5Å; A722-R752 HydrophobicContact CB-CB 3.61Å; A722-R752 WeakPolarHBondContact CB-O 3.48Å; A722-R752 WeakPolarHBondContact O-CD 3.46Å; L746-R752 HydrophobicContact CB-CG 4.26Å; L746-R752 PolarHBondContact O-NE 2.99Å; L746-R752 PolarHBondContact O-NH2 3.46Å; L746-R752 VanDerWaalsContact O-NH2 3.14Å; S748-R752 PolarHBondContact O-N 3.43Å; K749-R752 PolarHBondContact O-N 3.23Å; E750-R752 VanDerWaalsContact C-N 3.35Å; E750-R752 PolarHBondContact O-N 3.05Å; R752-G754 VanDerWaalsContact C-N 3.27Å; R752-G754 PolarHBondContact O-N 2.92Å; R752-V755 WeakPolarHBondContact O-CB 3.32Å; R752-V755 PolarHBondContact O-N 3.21Å; R752-V755 VanDerWaalsContact O-N 3.14Å; R752-L756 PolarHBondContact O-N 3.33Å
753	Q	86.5	Confident	85	Confident	56 Å²	56	75.3 Å²	75.3	26%	0.262	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-36.5	176.4	-166.8	61.1	38	0	0	111.7	P720 K749 E750 V755 L756 N757	P720-Q753 PolarHBondContact O-OE1 3.37Å; K749-Q753 PolarHBondContact O-N 3.3Å; E750-Q753 PolarHBondContact O-N 2.95Å; Q753-V755 PolarHBondContact O-N 2.72Å; Q753-L756 PolarHBondContact O-N 2.96Å; Q753-N757 PolarHBondContact NE2-OD1 3.19Å; Q753-N757 VanDerWaalsContact O-CG 3.22Å; Q753-N757 PolarHBondContact O-N 3.11Å; Q753-N757 PolarHBondContact O-OD1 3.42Å
754	G	85.7	Confident	85	Confident	37 Å²	37	77.4 Å²	77.4	38%	0.381	39%	0.391	S	S	.	.	H	α-helix	trans	-57.3	-35.9	174	0	0	0	0	0	113.2	E750 A751 R752 A758	E750-G754 PolarHBondContact O-N 2.86Å; A751-G754 PolarHBondContact O-N 3.38Å; R752-G754 VanDerWaalsContact C-N 3.27Å; R752-G754 PolarHBondContact O-N 2.92Å; G754-A758 WeakPolarHBondContact O-CB 3.29Å; G754-A758 PolarHBondContact O-N 2.96Å
755	V	87.2	Confident	85.1	Confident	6 Å²	6	79 Å²	79	4%	0.036	38%	0.384	C	S	.	.	H	α-helix	trans	-69.6	-46.2	175	179.9	0	0	0	0	111.3	A654 L679 V742 L746 A751 R752 Q753 N757 A758 I759	A654-V755 HydrophobicContact CB-CG1 3.83Å; L679-V755 HydrophobicContact CD1-CB 3.99Å; L679-V755 HydrophobicContact CD1-CG1 4.25Å; L679-V755 HydrophobicContact CD1-CG2 4.3Å; L679-V755 HydrophobicContact CD2-CB 4.21Å; L679-V755 HydrophobicContact CD2-CG1 4.1Å; V742-V755 HydrophobicContact CG1-CG2 4.19Å; L746-V755 HydrophobicContact CD2-CG2 3.99Å; A751-V755 PolarHBondContact O-N 3.23Å; R752-V755 WeakPolarHBondContact O-CB 3.32Å; R752-V755 PolarHBondContact O-N 3.21Å; R752-V755 VanDerWaalsContact O-N 3.14Å; Q753-V755 PolarHBondContact O-N 2.72Å; V755-N757 VanDerWaalsContact C-N 3.34Å; V755-N757 PolarHBondContact O-N 3.18Å; V755-A758 WeakPolarHBondContact O-CA 3.36Å; V755-A758 WeakPolarHBondContact O-CB 3.38Å; V755-A758 PolarHBondContact O-N 2.97Å; V755-A758 VanDerWaalsContact O-N 3.08Å; V755-I759 WeakPolarHBondContact O-CG1 3.38Å; V755-I759 PolarHBondContact O-N 3.38Å
756	L	85.7	Confident	85	Confident	22 Å²	22	80.3 Å²	80.3	12%	0.115	39%	0.389	C	S	.	.	H	α-helix	trans	-58.3	-46.3	175.1	-77.6	-171.5	0	0	0	111.7	L679 C681 A722 R752 Q753 A758 I759 E760	L679-L756 HydrophobicContact CD2-CD2 3.69Å; L679-L756 HydrophobicContact CD2-CG 3.79Å; C681-L756 HydrophobicContact CB-CD1 4.22Å; A722-L756 HydrophobicContact CB-CD1 3.48Å; A722-L756 VanDerWaalsContact CB-CD1 3.48Å; A722-L756 HydrophobicContact CB-CG 3.7Å; R752-L756 PolarHBondContact O-N 3.33Å; Q753-L756 PolarHBondContact O-N 2.96Å; L756-A758 PolarHBondContact O-N 2.85Å; L756-I759 HydrophobicContact CD2-CD1 4.25Å; L756-I759 WeakPolarHBondContact O-CB 3.25Å; L756-I759 PolarHBondContact O-N 3.23Å; L756-E760 PolarHBondContact O-N 3.46Å
757	N	86.4	Confident	84.7	Confident	68 Å²	68	83 Å²	83	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-61.9	-32.3	177.1	-64.6	-4.7	0	0	0	111.6	Q753 V755 K761	Q753-N757 PolarHBondContact NE2-OD1 3.19Å; Q753-N757 VanDerWaalsContact O-CG 3.22Å; Q753-N757 PolarHBondContact O-N 3.11Å; Q753-N757 PolarHBondContact O-OD1 3.42Å; V755-N757 VanDerWaalsContact C-N 3.34Å; V755-N757 PolarHBondContact O-N 3.18Å; N757-K761 WeakPolarHBondContact O-CB 3.48Å; N757-K761 VanDerWaalsContact O-CG 3.23Å; N757-K761 WeakPolarHBondContact O-CG 3.06Å; N757-K761 PolarHBondContact O-N 2.85Å
758	A	87	Confident	84.4	Confident	33 Å²	33	75.4 Å²	75.4	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-69.4	-39.3	174.2	0	0	0	0	0	112	L740 G754 V755 L756 K761 V762	L740-A758 HydrophobicContact CD1-CB 4.05Å; L740-A758 HydrophobicContact CD2-CB 4.5Å; G754-A758 WeakPolarHBondContact O-CB 3.29Å; G754-A758 PolarHBondContact O-N 2.96Å; V755-A758 WeakPolarHBondContact O-CA 3.36Å; V755-A758 WeakPolarHBondContact O-CB 3.38Å; V755-A758 PolarHBondContact O-N 2.97Å; V755-A758 VanDerWaalsContact O-N 3.08Å; L756-A758 PolarHBondContact O-N 2.85Å; A758-K761 PolarHBondContact O-N 2.98Å; A758-V762 WeakPolarHBondContact O-CG2 3.43Å; A758-V762 PolarHBondContact O-N 3.18Å
759	I	87.7	Confident	84.2	Confident	11 Å²	11	76.7 Å²	76.7	6%	0.056	41%	0.412	C	S	.	.	H	α-helix	trans	-59.2	-48.6	173	-63.6	172.5	0	0	0	109.9	L640 W652 A654 L740 V755 L756 V762 K763	L640-I759 HydrophobicContact CD1-CG2 4.36Å; L640-I759 HydrophobicContact CD2-CD1 3.95Å; L640-I759 HydrophobicContact CD2-CG1 3.69Å; W652-I759 HydrophobicContact CB-CG2 4.41Å; A654-I759 HydrophobicContact CB-CD1 4.16Å; L740-I759 HydrophobicContact CD1-CB 4.47Å; L740-I759 HydrophobicContact CD1-CG1 3.54Å; V755-I759 WeakPolarHBondContact O-CG1 3.38Å; V755-I759 PolarHBondContact O-N 3.38Å; L756-I759 HydrophobicContact CD2-CD1 4.25Å; L756-I759 WeakPolarHBondContact O-CB 3.25Å; L756-I759 PolarHBondContact O-N 3.23Å; I759-V762 PolarHBondContact O-N 2.85Å; I759-K763 PolarHBondContact O-N 2.86Å
760	E	85.7	Confident	84.3	Confident	126 Å²	126	69.5 Å²	69.5	59%	0.589	38%	0.381	S	S	*	.	H	α-helix	trans	-64.2	-43.3	-179.6	-168.8	171.2	-162.4	0	0	112.1	L756 V762 K763 V764	L756-E760 PolarHBondContact O-N 3.46Å; E760-V762 VanDerWaalsContact C-N 3.28Å; E760-V762 PolarHBondContact O-N 3.17Å; E760-K763 WeakPolarHBondContact O-CB 3.24Å; E760-K763 PolarHBondContact O-N 3.33Å; E760-V764 WeakPolarHBondContact O-CG2 3.35Å; E760-V764 PolarHBondContact O-N 2.9Å
761	K	86.7	Confident	84.4	Confident	152 Å²	152	64.4 Å²	64.4	66%	0.661	36%	0.362	S	S	*	.	H	α-helix	trans	-58.8	-38.7	172.9	-77.6	173.9	-177.2	179.8	0	112.7	N757 A758 R765	N757-K761 WeakPolarHBondContact O-CB 3.48Å; N757-K761 VanDerWaalsContact O-CG 3.23Å; N757-K761 WeakPolarHBondContact O-CG 3.06Å; N757-K761 PolarHBondContact O-N 2.85Å; A758-K761 PolarHBondContact O-N 2.98Å; K761-R765 VanDerWaalsContact O-CB 3.29Å; K761-R765 WeakPolarHBondContact O-CB 3.43Å; K761-R765 PolarHBondContact O-N 3.08Å
762	V	87.6	Confident	84.6	Confident	22 Å²	22	67.3 Å²	67.3	13%	0.133	38%	0.377	C	S	.	.	H	α-helix	trans	-69.7	-43.2	175.7	170	0	0	0	0	110.9	V738 L740 A758 I759 E760 V764 R765 M766 L770	V738-V762 HydrophobicContact CB-CG1 4.39Å; V738-V762 HydrophobicContact CG1-CG1 3.84Å; V738-V762 HydrophobicContact CG2-CG1 4.35Å; L740-V762 HydrophobicContact CD2-CG2 3.67Å; A758-V762 WeakPolarHBondContact O-CG2 3.43Å; A758-V762 PolarHBondContact O-N 3.18Å; I759-V762 PolarHBondContact O-N 2.85Å; E760-V762 VanDerWaalsContact C-N 3.28Å; E760-V762 PolarHBondContact O-N 3.17Å; V762-V764 VanDerWaalsContact C-N 3.31Å; V762-V764 PolarHBondContact O-N 2.83Å; V762-R765 PolarHBondContact O-N 2.96Å; V762-M766 HydrophobicContact CG1-CG 4.26Å; V762-M766 WeakPolarHBondContact O-CB 3.39Å; V762-M766 WeakPolarHBondContact O-CG 3.39Å; V762-M766 PolarHBondContact O-N 3.24Å; V762-L770 HydrophobicContact CB-CD2 4.49Å; V762-L770 HydrophobicContact CG1-CD2 3.66Å
763	K	85.7	Confident	84.5	Confident	61 Å²	61	65 Å²	65	27%	0.265	37%	0.37	S	S	.	.	H	α-helix	trans	-55.9	-46.5	175.3	-173.2	-179.4	177.5	-175.7	0	111	E691 I759 E760 M766 G768 L770	E691-K763 IonicContact OE1-NZ 2.93Å; E691-K763 PolarHBondContact OE1-NZ 3.17Å; E691-K763 IonicContact OE2-NZ 3.38Å; I759-K763 PolarHBondContact O-N 2.86Å; E760-K763 WeakPolarHBondContact O-CB 3.24Å; E760-K763 PolarHBondContact O-N 3.33Å; K763-M766 PolarHBondContact O-N 3.36Å; K763-G768 WeakPolarHBondContact CE-O 2.91Å; K763-G768 VanDerWaalsContact CG-O 3.29Å; K763-G768 WeakPolarHBondContact CG-O 3.34Å; K763-G768 WeakPolarHBondContact O-CA 3.4Å; K763-G768 PolarHBondContact O-N 3.22Å; K763-L770 HydrophobicContact CB-CD2 4.32Å; K763-L770 HydrophobicContact CB-CG 4.37Å
764	V	84.1	Confident	84.5	Confident	109 Å²	109	65.7 Å²	65.7	66%	0.661	38%	0.375	S	S	*	.	H	α-helix	trans	-64.9	-45	176	174.3	0	0	0	0	111.6	E760 V762 M766 G767	E760-V764 WeakPolarHBondContact O-CG2 3.35Å; E760-V764 PolarHBondContact O-N 2.9Å; V762-V764 VanDerWaalsContact C-N 3.31Å; V762-V764 PolarHBondContact O-N 2.83Å; V764-M766 PolarHBondContact O-N 3.19Å; V764-G767 PolarHBondContact O-N 3.18Å
765	R	82.8	Confident	84.5	Confident	214 Å²	214	64.9 Å²	64.9	81%	0.808	36%	0.363	S	S	*	.	H	α-helix	trans	-62.5	-30.4	179.6	-176	178.6	-73.4	177.1	-4.2	113	K761 V762 G767	K761-R765 VanDerWaalsContact O-CB 3.29Å; K761-R765 WeakPolarHBondContact O-CB 3.43Å; K761-R765 PolarHBondContact O-N 3.08Å; V762-R765 PolarHBondContact O-N 2.96Å; R765-G767 VanDerWaalsContact C-N 3.32Å
766	M	82.8	Confident	84.4	Confident	99 Å²	99	67.4 Å²	67.4	49%	0.488	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	10.3	179.6	-64.9	-61.2	-172.5	0	0	113.8	V738 V762 K763 V764	V738-M766 HydrophobicContact CG2-CE 3.91Å; V762-M766 HydrophobicContact CG1-CG 4.26Å; V762-M766 WeakPolarHBondContact O-CB 3.39Å; V762-M766 WeakPolarHBondContact O-CG 3.39Å; V762-M766 PolarHBondContact O-N 3.24Å; K763-M766 PolarHBondContact O-N 3.36Å; V764-M766 PolarHBondContact O-N 3.19Å
767	G	75.2	Confident	84.4	Confident	73 Å²	73	69.1 Å²	69.1	75%	0.753	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	23.4	175.8	0	0	0	0	0	114.8	V764 R765	V764-G767 PolarHBondContact O-N 3.18Å; R765-G767 VanDerWaalsContact C-N 3.32Å
768	G	75.5	Confident	84.4	Confident	36 Å²	36	69.4 Å²	69.4	37%	0.371	40%	0.395	S	S	.	.	S	Bend	trans	99.9	-24	173	0	0	0	0	0	114.6	K763	K763-G768 WeakPolarHBondContact CE-O 2.91Å; K763-G768 VanDerWaalsContact CG-O 3.29Å; K763-G768 WeakPolarHBondContact CG-O 3.34Å; K763-G768 WeakPolarHBondContact O-CA 3.4Å; K763-G768 PolarHBondContact O-N 3.22Å
769	S	78.7	Confident	84.3	Confident	86 Å²	86	68.4 Å²	68.4	60%	0.601	39%	0.385	S	S	*	.	S	Bend	trans	-118.5	141.5	174.1	-172.2	0	0	0	0	111.3
770	L	84.5	Confident	84.2	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.016	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-83.1	129.7	174.5	-71	173.3	0	0	0	108.8	L640 W652 V762 K763 V772	L640-L770 HydrophobicContact CD1-CD1 3.83Å; L640-L770 HydrophobicContact CD1-CD2 4.26Å; W652-L770 HydrophobicContact CB-CD1 4.12Å; W652-L770 HydrophobicContact CD2-CD1 3.74Å; W652-L770 HydrophobicContact CE3-CD1 4.17Å; W652-L770 HydrophobicContact CG-CD1 3.72Å; W652-L770 HydrophobicContact CZ2-CB 4.34Å; V762-L770 HydrophobicContact CB-CD2 4.49Å; V762-L770 HydrophobicContact CG1-CD2 3.66Å; K763-L770 HydrophobicContact CB-CD2 4.32Å; K763-L770 HydrophobicContact CB-CG 4.37Å; L770-V772 PolarHBondContact O-N 3.27Å
771	P	85.6	Confident	84.3	Confident	55 Å²	55	69 Å²	69	36%	0.357	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-62.5	127	176.5	26.3	-33.2	0	0	0	108.9	S736 A737 V738	S736-P771 CarbonylContact C-O 3.5Å; S736-P771 WeakPolarHBondContact CA-O 3.15Å; S736-P771 PolarHBondContact OG-O 3.35Å; A737-P771 HydrophobicContact CB-CB 4.34Å; A737-P771 HydrophobicContact CB-CG 4.29Å; A737-P771 PolarHBondContact N-O 2.99Å; V738-P771 HydrophobicContact CG2-CG 3.84Å
772	V	87.8	Confident	84.2	Confident	83 Å²	83	66.4 Å²	66.4	50%	0.503	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-85.8	144.1	176.7	-171.7	0	0	0	0	108.2	W652 I735 L770 D774	W652-V772 HydrophobicContact CH2-CG2 4.17Å; W652-V772 HydrophobicContact CZ2-CG2 4.23Å; I735-V772 CarbonylContact O-C 3.51Å; I735-V772 WeakPolarHBondContact O-CA 3.38Å; I735-V772 WeakPolarHBondContact O-CG1 3.32Å; L770-V772 PolarHBondContact O-N 3.27Å; V772-D774 PolarHBondContact O-N 3.06Å
773	L	86.2	Confident	84.2	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.068	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-61.3	134.3	170.3	-99.5	107.1	0	0	0	109.7	F634 I735 S736 P775 D778 M779	F634-L773 HydrophobicContact CD1-CD2 3.39Å; F634-L773 HydrophobicContact CE1-CD2 3.58Å; F634-L773 HydrophobicContact CG-CD2 4.14Å; F634-L773 HydrophobicContact CZ-CD2 4.46Å; I735-L773 HydrophobicContact CB-CD1 4.29Å; I735-L773 HydrophobicContact CG2-CD1 3.66Å; I735-L773 PolarHBondContact O-N 2.84Å; S736-L773 VanDerWaalsContact C-CD1 3.48Å; S736-L773 WeakPolarHBondContact O-CD1 3.35Å; L773-P775 WeakPolarHBondContact O-CD 3.26Å; L773-D778 HydrophobicContact CB-CB 4.35Å; L773-D778 HydrophobicContact CD2-CB 3.51Å; L773-D778 HydrophobicContact CG-CB 3.98Å; L773-M779 HydrophobicContact CB-CG 4.41Å; L773-M779 HydrophobicContact CD2-CG 3.68Å
774	D	85.9	Confident	84.2	Confident	71 Å²	71	68.5 Å²	68.5	38%	0.38	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-74.7	120.1	168.4	-173.1	-37.1	0	0	0	109.3	V772 I776 A777 D778 M779	V772-D774 PolarHBondContact O-N 3.06Å; D774-I776 PolarHBondContact O-N 2.84Å; D774-I776 WeakPolarHBondContact OD1-CA 3.41Å; D774-I776 PolarHBondContact OD1-N 3.12Å; D774-A777 HydrophobicContact CB-CB 3.89Å; D774-A777 PolarHBondContact OD1-N 3.31Å; D774-A777 VanDerWaalsContact OD1-N 3.11Å; D774-D778 PolarHBondContact N-OD2 3.08Å; D774-D778 WeakPolarHBondContact O-CA 3.49Å; D774-D778 WeakPolarHBondContact O-CB 3.38Å; D774-D778 PolarHBondContact O-N 3.36Å; D774-M779 PolarHBondContact O-N 3.24Å; D774-M779 VanDerWaalsContact O-N 3.08Å
775	P	85.2	Confident	84.3	Confident	19 Å²	19	71.3 Å²	71.3	12%	0.123	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.1	178.4	-25.1	35.7	0	0	0	114.4	I625 L773 M779 I781 F786	I625-P775 HydrophobicContact CD1-CB 4.11Å; I625-P775 HydrophobicContact CD1-CG 3.62Å; I625-P775 HydrophobicContact CG1-CB 4.18Å; I625-P775 HydrophobicContact CG1-CG 4.23Å; L773-P775 WeakPolarHBondContact O-CD 3.26Å; P775-M779 WeakPolarHBondContact O-CB 3.25Å; P775-I781 HydrophobicContact CB-CD1 4.14Å; P775-I781 WeakPolarHBondContact O-CB 3.49Å; P775-I781 VanDerWaalsContact O-CG1 3.29Å; P775-I781 WeakPolarHBondContact O-CG1 3.49Å; P775-I781 PolarHBondContact O-N 3.18Å; P775-I781 VanDerWaalsContact O-N 3.12Å; P775-F786 HydrophobicContact CB-CE1 3.65Å; P775-F786 HydrophobicContact CB-CZ 3.37Å; P775-F786 HydrophobicContact CG-CZ 4.09Å
776	I	85.6	Confident	84.6	Confident	59 Å²	59	61.1 Å²	61.1	30%	0.303	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-57.4	-179.5	-58	173.9	0	0	0	109.5	D774 H780 F786 L787 N790	D774-I776 PolarHBondContact O-N 2.84Å; D774-I776 WeakPolarHBondContact OD1-CA 3.41Å; D774-I776 PolarHBondContact OD1-N 3.12Å; I776-H780 VanDerWaalsContact O-CA 3.32Å; I776-H780 WeakPolarHBondContact O-CA 3.37Å; I776-H780 PolarHBondContact O-N 2.81Å; I776-F786 HydrophobicContact CG1-CD1 4.47Å; I776-F786 HydrophobicContact CG1-CE1 3.93Å; I776-L787 HydrophobicContact CD1-CD2 3.51Å; I776-L787 HydrophobicContact CG1-CD2 3.86Å; I776-L787 HydrophobicContact CG2-CD2 4.16Å; I776-N790 HydrophobicContact CD1-CB 4.18Å; I776-N790 VanDerWaalsContact CD1-ND2 3.27Å; I776-N790 WeakPolarHBondContact CD1-ND2 3.35Å
777	A	85.6	Confident	84.8	Confident	58 Å²	58	59.3 Å²	59.3	48%	0.479	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-43	-172.3	0	0	0	0	0	112.5	D774 H780	D774-A777 HydrophobicContact CB-CB 3.89Å; D774-A777 PolarHBondContact OD1-N 3.31Å; D774-A777 VanDerWaalsContact OD1-N 3.11Å; A777-H780 PolarHBondContact O-CE1 3.2Å; A777-H780 VanDerWaalsContact O-CE1 3.24Å; A777-H780 PolarHBondContact O-ND1 2.84Å
778	D	86	Confident	85.4	Confident	75 Å²	75	61.2 Å²	61.2	40%	0.401	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-37.2	-174.6	-60.5	-42.5	0	0	0	113	F634 L773 D774	F634-D778 WeakPolarHBondContact CZ-O 3.3Å; L773-D778 HydrophobicContact CB-CB 4.35Å; L773-D778 HydrophobicContact CD2-CB 3.51Å; L773-D778 HydrophobicContact CG-CB 3.98Å; D774-D778 PolarHBondContact N-OD2 3.08Å; D774-D778 WeakPolarHBondContact O-CA 3.49Å; D774-D778 WeakPolarHBondContact O-CB 3.38Å; D774-D778 PolarHBondContact O-N 3.36Å
779	M	86.4	Confident	86	Confident	12 Å²	12	60.3 Å²	60.3	6%	0.059	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-7.4	-179.4	-57.6	-178.6	59.8	0	0	114.3	I625 Y630 F634 I735 L773 D774 P775 I781	I625-M779 HydrophobicContact CG2-CE 4.05Å; I625-M779 HydrophobicContact CG2-SD 4.23Å; Y630-M779 VanDerWaalsContact O-CE 3.25Å; Y630-M779 WeakPolarHBondContact O-CE 3.43Å; F634-M779 HydrophobicContact CD2-CE 3.85Å; F634-M779 HydrophobicContact CD2-CG 4.01Å; F634-M779 HydrophobicContact CE1-CG 4.3Å; F634-M779 HydrophobicContact CE2-CB 3.84Å; F634-M779 HydrophobicContact CE2-CE 4.17Å; F634-M779 HydrophobicContact CE2-CG 3.77Å; F634-M779 HydrophobicContact CG-CG 4.39Å; F634-M779 HydrophobicContact CZ-CB 4.04Å; F634-M779 HydrophobicContact CZ-CG 3.95Å; I735-M779 HydrophobicContact CD1-CE 4.4Å; I735-M779 HydrophobicContact CD1-SD 4.28Å; L773-M779 HydrophobicContact CB-CG 4.41Å; L773-M779 HydrophobicContact CD2-CG 3.68Å; D774-M779 PolarHBondContact O-N 3.24Å; D774-M779 VanDerWaalsContact O-N 3.08Å; P775-M779 WeakPolarHBondContact O-CB 3.25Å; M779-I781 VanDerWaalsContact C-N 3.27Å; M779-I781 HydrophobicContact CB-CD1 4.38Å; M779-I781 HydrophobicContact CB-CG1 4.12Å; M779-I781 HydrophobicContact CE-CD1 4.43Å; M779-I781 PolarHBondContact O-N 2.98Å
780	H	85.5	Confident	86.4	Confident	147 Å²	147	57.6 Å²	57.6	68%	0.681	31%	0.313	S	S	*	.			trans	55.2	37.4	178.3	-54.2	-46.7	0	0	0	113.9	I776 A777 S782	I776-H780 VanDerWaalsContact O-CA 3.32Å; I776-H780 WeakPolarHBondContact O-CA 3.37Å; I776-H780 PolarHBondContact O-N 2.81Å; A777-H780 PolarHBondContact O-CE1 3.2Å; A777-H780 VanDerWaalsContact O-CE1 3.24Å; A777-H780 PolarHBondContact O-ND1 2.84Å; H780-S782 PolarHBondContact O-N 2.99Å
781	I	86.9	Confident	86.5	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	34%	0.343	C	S	.	.			trans	-78.1	101.5	174.3	-54.6	177.5	0	0	0	108.8	I625 Y630 P775 M779 D783 F786	I625-I781 HydrophobicContact CG1-CD1 4.16Å; Y630-I781 HydrophobicContact CD1-CD1 4.48Å; Y630-I781 HydrophobicContact CD1-CG1 3.83Å; Y630-I781 HydrophobicContact CD2-CD1 4.21Å; Y630-I781 HydrophobicContact CD2-CG1 4.34Å; Y630-I781 HydrophobicContact CE1-CG1 4.32Å; Y630-I781 HydrophobicContact CE1-CG2 4.32Å; Y630-I781 HydrophobicContact CE2-CG2 4.26Å; Y630-I781 HydrophobicContact CG-CD1 3.99Å; Y630-I781 HydrophobicContact CG-CG1 3.85Å; P775-I781 HydrophobicContact CB-CD1 4.14Å; P775-I781 WeakPolarHBondContact O-CB 3.49Å; P775-I781 VanDerWaalsContact O-CG1 3.29Å; P775-I781 WeakPolarHBondContact O-CG1 3.49Å; P775-I781 PolarHBondContact O-N 3.18Å; P775-I781 VanDerWaalsContact O-N 3.12Å; M779-I781 VanDerWaalsContact C-N 3.27Å; M779-I781 HydrophobicContact CB-CD1 4.38Å; M779-I781 HydrophobicContact CB-CG1 4.12Å; M779-I781 HydrophobicContact CE-CD1 4.43Å; M779-I781 PolarHBondContact O-N 2.98Å; I781-D783 HydrophobicContact CG2-CB 4.38Å; I781-F786 HydrophobicContact CB-CD1 3.86Å; I781-F786 HydrophobicContact CB-CE1 4Å; I781-F786 HydrophobicContact CD1-CE1 4.34Å; I781-F786 HydrophobicContact CD1-CZ 4.31Å; I781-F786 HydrophobicContact CG2-CB 3.98Å; I781-F786 HydrophobicContact CG2-CD1 3.41Å; I781-F786 VanDerWaalsContact CG2-CD1 3.41Å; I781-F786 HydrophobicContact CG2-CD2 4.37Å; I781-F786 HydrophobicContact CG2-CE1 3.99Å; I781-F786 HydrophobicContact CG2-CG 3.63Å
782	S	84.4	Confident	86.6	Confident	98 Å²	98	64 Å²	64	69%	0.685	34%	0.337	S	S	*	.			trans	-102.4	17.6	-179.9	55	0	0	0	0	114.1	H780 P784	H780-S782 PolarHBondContact O-N 2.99Å; S782-P784 WeakPolarHBondContact O-CD 3.21Å
783	D	87.8	Confident	86.6	Confident	37 Å²	37	60.3 Å²	60.3	20%	0.198	32%	0.315	C	S	.	.			trans	-65.9	123.4	176.9	-171.4	-45.9	0	0	0	109.7	Y624 R627 I781 R785 F786 L787	Y624-D783 HydrophobicContact CE1-CB 4.49Å; R627-D783 IonicContact NH1-OD2 3.9Å; I781-D783 HydrophobicContact CG2-CB 4.38Å; D783-R785 VanDerWaalsContact C-N 3.26Å; D783-R785 PolarHBondContact O-N 2.98Å; D783-R785 PolarHBondContact OD1-N 2.84Å; D783-F786 HydrophobicContact CB-CB 3.95Å; D783-F786 WeakPolarHBondContact O-CB 3.45Å; D783-F786 PolarHBondContact O-N 3.22Å; D783-L787 PolarHBondContact O-N 3.26Å
784	P	86.1	Confident	86.6	Confident	90 Å²	90	62.5 Å²	62.5	58%	0.584	33%	0.329	S	S	*	.	H	α-helix	trans	-53.8	-40.7	-177.5	-26.4	33.6	0	0	0	113.5	S782 F786 L787 E788	S782-P784 WeakPolarHBondContact O-CD 3.21Å; P784-F786 VanDerWaalsContact C-N 3.31Å; P784-F786 PolarHBondContact O-N 3.24Å; P784-L787 PolarHBondContact O-N 2.68Å; P784-E788 WeakPolarHBondContact O-CG 3.46Å; P784-E788 PolarHBondContact O-N 3.39Å; P784-E788 VanDerWaalsContact O-N 3.12Å
785	R	86.8	Confident	86.5	Confident	169 Å²	169	61 Å²	61	64%	0.638	33%	0.326	S	S	*	.	H	α-helix	trans	-67.8	-34.4	179	-66.5	-178.3	179.6	174.5	-0.8	111.8	Y624 D783 I789	Y624-R785 WeakPolarHBondContact OH-CB 3.44Å; Y624-R785 WeakPolarHBondContact OH-CD 3.39Å; D783-R785 VanDerWaalsContact C-N 3.26Å; D783-R785 PolarHBondContact O-N 2.98Å; D783-R785 PolarHBondContact OD1-N 2.84Å; R785-I789 WeakPolarHBondContact O-CD1 3.4Å; R785-I789 VanDerWaalsContact O-CG1 3.24Å; R785-I789 WeakPolarHBondContact O-CG1 3.4Å; R785-I789 PolarHBondContact O-N 2.72Å
786	F	88.6	Confident	86.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-40.6	176.5	179.7	-100.4	0	0	0	111.6	Q621 Y624 I625 P775 I776 I781 D783 P784 I789 N790	Q621-F786 HydrophobicContact CG-CE2 3.68Å; Q621-F786 HydrophobicContact CG-CZ 4.05Å; Y624-F786 VanDerWaalsContact CB-CD2 3.44Å; Y624-F786 HydrophobicContact CD1-CB 4.03Å; Y624-F786 HydrophobicContact CD1-CD2 4.31Å; Y624-F786 HydrophobicContact CE1-CB 4.42Å; Y624-F786 HydrophobicContact CG-CB 4.36Å; Y624-F786 AromaticContact CG-CD2 3.9Å; Y624-F786 HydrophobicContact CG-CD2 3.9Å; I625-F786 HydrophobicContact CD1-CE2 4.4Å; I625-F786 HydrophobicContact CD1-CZ 4.37Å; I625-F786 HydrophobicContact CG1-CE2 3.94Å; I625-F786 HydrophobicContact CG1-CZ 4.09Å; P775-F786 HydrophobicContact CB-CE1 3.65Å; P775-F786 HydrophobicContact CB-CZ 3.37Å; P775-F786 HydrophobicContact CG-CZ 4.09Å; I776-F786 HydrophobicContact CG1-CD1 4.47Å; I776-F786 HydrophobicContact CG1-CE1 3.93Å; I781-F786 HydrophobicContact CB-CD1 3.86Å; I781-F786 HydrophobicContact CB-CE1 4Å; I781-F786 HydrophobicContact CD1-CE1 4.34Å; I781-F786 HydrophobicContact CD1-CZ 4.31Å; I781-F786 HydrophobicContact CG2-CB 3.98Å; I781-F786 HydrophobicContact CG2-CD1 3.41Å; I781-F786 VanDerWaalsContact CG2-CD1 3.41Å; I781-F786 HydrophobicContact CG2-CD2 4.37Å; I781-F786 HydrophobicContact CG2-CE1 3.99Å; I781-F786 HydrophobicContact CG2-CG 3.63Å; D783-F786 HydrophobicContact CB-CB 3.95Å; D783-F786 WeakPolarHBondContact O-CB 3.45Å; D783-F786 PolarHBondContact O-N 3.22Å; P784-F786 VanDerWaalsContact C-N 3.31Å; P784-F786 PolarHBondContact O-N 3.24Å; F786-I789 PolarHBondContact O-N 3.08Å; F786-N790 WeakPolarHBondContact O-CB 3.37Å; F786-N790 PolarHBondContact O-N 3.28Å
787	L	87.6	Confident	86.4	Confident	61 Å²	61	61.8 Å²	61.8	32%	0.319	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-45.1	176.3	-64.5	176.1	0	0	0	111.1	I776 D783 P784 I789 N790 E791	I776-L787 HydrophobicContact CD1-CD2 3.51Å; I776-L787 HydrophobicContact CG1-CD2 3.86Å; I776-L787 HydrophobicContact CG2-CD2 4.16Å; D783-L787 PolarHBondContact O-N 3.26Å; P784-L787 PolarHBondContact O-N 2.68Å; L787-I789 PolarHBondContact O-N 3.4Å; L787-N790 PolarHBondContact O-N 3.47Å; L787-E791 WeakPolarHBondContact O-CG 3.47Å; L787-E791 PolarHBondContact O-N 3.01Å
788	E	87.6	Confident	86.2	Confident	113 Å²	113	64 Å²	64	53%	0.528	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-46.4	174.2	-71.5	171.3	-168.5	0	0	112.2	P784 N790 E791 K792	P784-E788 WeakPolarHBondContact O-CG 3.46Å; P784-E788 PolarHBondContact O-N 3.39Å; P784-E788 VanDerWaalsContact O-N 3.12Å; E788-N790 VanDerWaalsContact C-N 3.32Å; E788-N790 PolarHBondContact O-N 2.7Å; E788-E791 PolarHBondContact O-N 3.04Å; E788-K792 WeakPolarHBondContact O-CB 3.34Å; E788-K792 WeakPolarHBondContact O-CG 3.3Å; E788-K792 PolarHBondContact O-N 3.45Å
789	I	86.9	Confident	86	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.087	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-42.9	176.2	-68.9	163.5	0	0	0	110.4	Q620 Q621 Y624 R785 F786 L787 K792 V793	Q620-I789 HydrophobicContact CB-CD1 4.25Å; Q620-I789 HydrophobicContact CB-CG2 4.4Å; Q621-I789 HydrophobicContact CB-CG2 4Å; Y624-I789 HydrophobicContact CD2-CD1 4.03Å; Y624-I789 HydrophobicContact CE2-CD1 3.78Å; R785-I789 WeakPolarHBondContact O-CD1 3.4Å; R785-I789 VanDerWaalsContact O-CG1 3.24Å; R785-I789 WeakPolarHBondContact O-CG1 3.4Å; R785-I789 PolarHBondContact O-N 2.72Å; F786-I789 PolarHBondContact O-N 3.08Å; L787-I789 PolarHBondContact O-N 3.4Å; I789-K792 CarbonylContact O-C 3.58Å; I789-K792 PolarHBondContact O-N 3.07Å; I789-V793 HydrophobicContact CG2-CG2 4.22Å; I789-V793 VanDerWaalsContact O-CG2 3.31Å; I789-V793 WeakPolarHBondContact O-CG2 3.34Å; I789-V793 PolarHBondContact O-N 3.32Å
790	N	87.4	Confident	85.8	Confident	28 Å²	28	63 Å²	63	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-66.1	-40	-178.5	-165.5	70	0	0	0	112.6	Q621 I776 F786 L787 E788 V793 T794	Q621-N790 PolarHBondContact NE2-OD1 3.07Å; I776-N790 HydrophobicContact CD1-CB 4.18Å; I776-N790 VanDerWaalsContact CD1-ND2 3.27Å; I776-N790 WeakPolarHBondContact CD1-ND2 3.35Å; F786-N790 WeakPolarHBondContact O-CB 3.37Å; F786-N790 PolarHBondContact O-N 3.28Å; L787-N790 PolarHBondContact O-N 3.47Å; E788-N790 VanDerWaalsContact C-N 3.32Å; E788-N790 PolarHBondContact O-N 2.7Å; N790-V793 PolarHBondContact O-N 3.47Å; N790-T794 PolarHBondContact O-N 3.25Å; N790-T794 PolarHBondContact O-OG1 2.81Å
791	E	87.3	Confident	85.6	Confident	140 Å²	140	60.7 Å²	60.7	65%	0.654	31%	0.308	S	S	*	.	H	α-helix	trans	-62.5	-43.9	171.4	-73.2	-178.8	177.5	0	0	111.2	L787 E788 T794 A795	L787-E791 WeakPolarHBondContact O-CG 3.47Å; L787-E791 PolarHBondContact O-N 3.01Å; E788-E791 PolarHBondContact O-N 3.04Å; E791-T794 PolarHBondContact O-N 2.92Å; E791-A795 WeakPolarHBondContact O-CB 3.45Å; E791-A795 PolarHBondContact O-N 2.94Å
792	K	87.9	Confident	85.3	Confident	52 Å²	52	67.8 Å²	67.8	23%	0.226	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-45.8	175.1	-73.6	178.4	178.1	-174	0	111.9	E53 L617 E788 I789 T794 A795 F796	E53-K792 IonicContact OE2-NZ 3.68Å; E53-K792 PolarHBondContact OE2-NZ 2.96Å; L617-K792 HydrophobicContact CD1-CB 4.01Å; L617-K792 HydrophobicContact CD2-CB 4.12Å; L617-K792 HydrophobicContact CD2-CD 4.39Å; E788-K792 WeakPolarHBondContact O-CB 3.34Å; E788-K792 WeakPolarHBondContact O-CG 3.3Å; E788-K792 PolarHBondContact O-N 3.45Å; I789-K792 CarbonylContact O-C 3.58Å; I789-K792 PolarHBondContact O-N 3.07Å; K792-T794 VanDerWaalsContact C-N 3.32Å; K792-T794 PolarHBondContact O-N 2.88Å; K792-A795 PolarHBondContact O-N 2.68Å; K792-F796 WeakPolarHBondContact O-CB 3.46Å; K792-F796 WeakPolarHBondContact O-CD2 3.39Å; K792-F796 PolarHBondContact O-N 2.84Å
793	V	86	Confident	85.2	Confident	6 Å²	6	64.2 Å²	64.2	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-57.2	-47.2	176.1	169.9	0	0	0	0	110.4	F614 L617 V618 Q621 I789 N790 F796 Q797	F614-V793 HydrophobicContact CE2-CG1 3.98Å; L617-V793 HydrophobicContact CB-CG2 3.71Å; V618-V793 HydrophobicContact CG2-CG1 4.01Å; V618-V793 HydrophobicContact CG2-CG2 4.42Å; Q621-V793 HydrophobicContact CB-CG2 4.36Å; I789-V793 HydrophobicContact CG2-CG2 4.22Å; I789-V793 VanDerWaalsContact O-CG2 3.31Å; I789-V793 WeakPolarHBondContact O-CG2 3.34Å; I789-V793 PolarHBondContact O-N 3.32Å; N790-V793 PolarHBondContact O-N 3.47Å; V793-F796 PolarHBondContact O-N 3.12Å; V793-Q797 WeakPolarHBondContact O-CB 3.26Å; V793-Q797 PolarHBondContact O-N 3.24Å
794	T	86.7	Confident	84.6	Confident	60 Å²	60	68.2 Å²	68.2	37%	0.368	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-46.5	179.2	-51.3	0	0	0	0	111.1	N790 E791 K792 F796 Q797 E798	N790-T794 PolarHBondContact O-N 3.25Å; N790-T794 PolarHBondContact O-OG1 2.81Å; E791-T794 PolarHBondContact O-N 2.92Å; K792-T794 VanDerWaalsContact C-N 3.32Å; K792-T794 PolarHBondContact O-N 2.88Å; T794-F796 PolarHBondContact O-N 2.86Å; T794-Q797 WeakPolarHBondContact O-CB 3.36Å; T794-Q797 PolarHBondContact O-N 3.12Å; T794-E798 WeakPolarHBondContact O-CG 3.46Å; T794-E798 PolarHBondContact O-N 3.13Å
795	A	84.7	Confident	84.3	Confident	38 Å²	38	64 Å²	64	31%	0.314	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-41.7	177.5	0	0	0	0	0	112.6	E791 K792 R799	E791-A795 WeakPolarHBondContact O-CB 3.45Å; E791-A795 PolarHBondContact O-N 2.94Å; K792-A795 PolarHBondContact O-N 2.68Å; A795-R799 WeakPolarHBondContact O-CB 3.48Å; A795-R799 WeakPolarHBondContact O-CD 3.32Å; A795-R799 WeakPolarHBondContact O-CG 3.44Å; A795-R799 PolarHBondContact O-N 2.82Å
796	F	84.2	Confident	83.8	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-35.4	176.7	-89.4	-99.2	0	0	0	112.3	I610 C613 F614 L617 K792 V793 T794 R799 L800	I610-F796 HydrophobicContact CG2-CD1 4.08Å; C613-F796 HydrophobicContact CB-CD1 4.02Å; C613-F796 HydrophobicContact CB-CE1 3.51Å; C613-F796 HydrophobicContact CB-CZ 4.14Å; F614-F796 HydrophobicContact CB-CB 4.26Å; F614-F796 HydrophobicContact CD2-CB 4.05Å; L617-F796 HydrophobicContact CD1-CB 4.4Å; L617-F796 HydrophobicContact CD1-CD2 3.59Å; L617-F796 HydrophobicContact CD1-CE2 3.91Å; L617-F796 HydrophobicContact CD1-CG 3.96Å; K792-F796 WeakPolarHBondContact O-CB 3.46Å; K792-F796 WeakPolarHBondContact O-CD2 3.39Å; K792-F796 PolarHBondContact O-N 2.84Å; V793-F796 PolarHBondContact O-N 3.12Å; T794-F796 PolarHBondContact O-N 2.86Å; F796-R799 PolarHBondContact O-N 2.97Å; F796-L800 WeakPolarHBondContact O-CB 3.21Å; F796-L800 PolarHBondContact O-N 3.41Å
797	Q	83.7	Confident	83.2	Confident	88 Å²	88	65.2 Å²	65.2	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-48.1	173.3	-174.1	176.5	-19.9	0	0	111.3	F614 V793 T794 R799 L800 Q801	F614-Q797 HydrophobicContact CD2-CB 4.4Å; F614-Q797 HydrophobicContact CE2-CB 3.77Å; F614-Q797 HydrophobicContact CE2-CG 4.35Å; F614-Q797 HydrophobicContact CZ-CB 4.48Å; V793-Q797 WeakPolarHBondContact O-CB 3.26Å; V793-Q797 PolarHBondContact O-N 3.24Å; T794-Q797 WeakPolarHBondContact O-CB 3.36Å; T794-Q797 PolarHBondContact O-N 3.12Å; Q797-R799 VanDerWaalsContact C-N 3.3Å; Q797-R799 PolarHBondContact O-N 2.93Å; Q797-L800 PolarHBondContact O-N 3.1Å; Q797-Q801 WeakPolarHBondContact O-CG 3.42Å; Q797-Q801 PolarHBondContact O-N 3.19Å
798	E	82.4	Confident	82.8	Confident	105 Å²	105	63.6 Å²	63.6	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-42.4	175	-73	179.4	179.7	0	0	110.9	T794 L800 Q801 H802	T794-E798 WeakPolarHBondContact O-CG 3.46Å; T794-E798 PolarHBondContact O-N 3.13Å; E798-L800 VanDerWaalsContact C-N 3.35Å; E798-L800 PolarHBondContact O-N 3.48Å; E798-Q801 PolarHBondContact O-N 3.28Å; E798-H802 PolarHBondContact O-N 3.45Å; E798-H802 PolarHBondContact O-ND1 2.95Å
799	R	80.9	Confident	82.3	Confident	46 Å²	46	64 Å²	64	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-37	178.6	-72.2	171.4	93.8	173.4	6.4	113.1	A43 S46 L47 A795 F796 Q797 H802 H803	A43-R799 PolarHBondContact O-NH2 3.38Å; S46-R799 PolarHBondContact O-NH1 2.8Å; S46-R799 PolarHBondContact O-NH2 2.97Å; L47-R799 VanDerWaalsContact N-NH2 3.11Å; A795-R799 WeakPolarHBondContact O-CB 3.48Å; A795-R799 WeakPolarHBondContact O-CD 3.32Å; A795-R799 WeakPolarHBondContact O-CG 3.44Å; A795-R799 PolarHBondContact O-N 2.82Å; F796-R799 PolarHBondContact O-N 2.97Å; Q797-R799 VanDerWaalsContact C-N 3.3Å; Q797-R799 PolarHBondContact O-N 2.93Å; R799-H802 PolarHBondContact O-N 3.37Å; R799-H803 PolarHBondContact O-N 3.5Å
800	L	82.8	Confident	82	Confident	20 Å²	20	68.9 Å²	68.9	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-46.1	173.7	-163.4	78.6	0	0	0	110.3	Y607 I610 Q611 F796 Q797 E798 H802 H803 H806	Y607-L800 HydrophobicContact CD2-CD1 4.08Å; Y607-L800 HydrophobicContact CE1-CD1 4.22Å; Y607-L800 HydrophobicContact CE2-CD1 3.54Å; Y607-L800 HydrophobicContact CE2-CG 3.96Å; I610-L800 HydrophobicContact CG2-CB 4.45Å; I610-L800 HydrophobicContact CG2-CD1 3.95Å; Q611-L800 HydrophobicContact CB-CD1 4.33Å; F796-L800 WeakPolarHBondContact O-CB 3.21Å; F796-L800 PolarHBondContact O-N 3.41Å; Q797-L800 PolarHBondContact O-N 3.1Å; E798-L800 VanDerWaalsContact C-N 3.35Å; E798-L800 PolarHBondContact O-N 3.48Å; L800-H802 VanDerWaalsContact C-N 3.34Å; L800-H802 PolarHBondContact O-N 2.88Å; L800-H803 VanDerWaalsContact O-CB 3.31Å; L800-H803 WeakPolarHBondContact O-CB 3.34Å; L800-H803 PolarHBondContact O-N 3.3Å; L800-H803 VanDerWaalsContact O-N 3.15Å; L800-H806 VanDerWaalsContact O-CB 3.29Å; L800-H806 WeakPolarHBondContact O-CB 3.28Å
801	Q	80.4	Confident	81.6	Confident	98 Å²	98	68.6 Å²	68.6	46%	0.458	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-34.8	178	-71	177	-3.8	0	0	113.4	Q797 E798 H803	Q797-Q801 WeakPolarHBondContact O-CG 3.42Å; Q797-Q801 PolarHBondContact O-N 3.19Å; E798-Q801 PolarHBondContact O-N 3.28Å; Q801-H803 VanDerWaalsContact C-N 3.29Å
802	H	81.6	Confident	81.2	Confident	151 Å²	151	65.1 Å²	65.1	70%	0.699	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.8	177.3	-72.7	81.9	0	0	0	113.4	E798 R799 L800	E798-H802 PolarHBondContact O-N 3.45Å; E798-H802 PolarHBondContact O-ND1 2.95Å; R799-H802 PolarHBondContact O-N 3.37Å; L800-H802 VanDerWaalsContact C-N 3.34Å; L800-H802 PolarHBondContact O-N 2.88Å
803	H	81.1	Confident	80.9	Confident	23 Å²	23	69.5 Å²	69.5	11%	0.106	35%	0.348	C	S	.	.	S	Bend	trans	-73.5	129.3	176.8	-164.7	-76.6	0	0	0	109.9	S606 Y607 R799 L800 Q801 L805 H806	S606-H803 PolarHBondContact OG-NE2 3.42Å; Y607-H803 HydrophobicContact CD2-CB 3.93Å; Y607-H803 AromaticContact CD2-CG 3.62Å; Y607-H803 AromaticContact CD2-ND1 3.51Å; Y607-H803 HydrophobicContact CE2-CB 4.24Å; R799-H803 PolarHBondContact O-N 3.5Å; L800-H803 VanDerWaalsContact O-CB 3.31Å; L800-H803 WeakPolarHBondContact O-CB 3.34Å; L800-H803 PolarHBondContact O-N 3.3Å; L800-H803 VanDerWaalsContact O-N 3.15Å; Q801-H803 VanDerWaalsContact C-N 3.29Å; H803-L805 PolarHBondContact ND1-N 2.84Å; H803-L805 PolarHBondContact O-N 3.19Å; H803-L805 VanDerWaalsContact O-N 3.15Å; H803-H806 WeakPolarHBondContact O-CB 3.43Å; H803-H806 PolarHBondContact O-N 3.24Å
804	W	75.8	Confident	80.9	Confident	121 Å²	121	70.1 Å²	70.1	46%	0.458	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.1	-173.9	68.9	-89.2	0	0	0	114.2	H806	W804-H806 VanDerWaalsContact C-N 3.26Å; W804-H806 PolarHBondContact O-N 3.06Å
805	L	79.1	Confident	80.6	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.6	173.2	-75.3	172	0	0	0	114.1	V604 Y607 H803 D807 D808 L811 L814	V604-L805 HydrophobicContact CG2-CD1 4.09Å; Y607-L805 HydrophobicContact CD2-CB 4.35Å; H803-L805 PolarHBondContact ND1-N 2.84Å; H803-L805 PolarHBondContact O-N 3.19Å; H803-L805 VanDerWaalsContact O-N 3.15Å; L805-D807 VanDerWaalsContact C-N 3.33Å; L805-D807 PolarHBondContact O-N 3.02Å; L805-D808 HydrophobicContact CD2-CB 4.18Å; L805-D808 PolarHBondContact O-N 3.48Å; L805-D808 VanDerWaalsContact O-N 3.15Å; L805-L811 HydrophobicContact CB-CD1 4.2Å; L805-L811 WeakPolarHBondContact O-CB 3.44Å; L805-L811 WeakPolarHBondContact O-CD2 3.47Å; L805-L814 HydrophobicContact CD2-CD1 4.24Å
806	H	78.1	Confident	80.5	Confident	56 Å²	56	72.6 Å²	72.6	26%	0.259	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-40.5	-174.8	-168.5	64.9	0	0	0	112.5	Y607 L800 H803 W804	Y607-H806 HydrophobicContact CE2-CB 4.16Å; Y607-H806 AromaticContact CE2-ND1 4Å; Y607-H806 AromaticContact CZ-ND1 3.98Å; Y607-H806 PolarHBondContact OH-ND1 2.82Å; L800-H806 VanDerWaalsContact O-CB 3.29Å; L800-H806 WeakPolarHBondContact O-CB 3.28Å; H803-H806 WeakPolarHBondContact O-CB 3.43Å; H803-H806 PolarHBondContact O-N 3.24Å; W804-H806 VanDerWaalsContact C-N 3.26Å; W804-H806 PolarHBondContact O-N 3.06Å
807	D	74.9	Confident	80.6	Confident	139 Å²	139	74.7 Å²	74.7	74%	0.743	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	0.5	178	-61.9	-34.1	0	0	0	112.7	L805 P809	L805-D807 VanDerWaalsContact C-N 3.33Å; L805-D807 PolarHBondContact O-N 3.02Å; D807-P809 WeakPolarHBondContact O-CD 3.41Å
808	D	78.7	Confident	80.8	Confident	27 Å²	27	71.3 Å²	71.3	14%	0.144	35%	0.348	C	S	.	.			trans	-80	121.9	-177.8	-167.9	-32	0	0	0	110.4	L805 R810 L811	L805-D808 HydrophobicContact CD2-CB 4.18Å; L805-D808 PolarHBondContact O-N 3.48Å; L805-D808 VanDerWaalsContact O-N 3.15Å; D808-R810 PolarHBondContact O-N 2.87Å; D808-R810 VanDerWaalsContact O-N 3.09Å; D808-R810 VanDerWaalsContact OD1-CB 3.25Å; D808-R810 WeakPolarHBondContact OD1-CB 3.24Å; D808-R810 WeakPolarHBondContact OD1-CG 3.38Å; D808-R810 PolarHBondContact OD1-N 3.41Å; D808-R810 IonicContact OD1-NE 2.81Å; D808-R810 PolarHBondContact OD1-NE 2.84Å; D808-R810 IonicContact OD2-CZ 3.47Å; D808-R810 IonicContact OD2-NE 2.71Å; D808-R810 PolarHBondContact OD2-NE 2.8Å; D808-R810 VanDerWaalsContact OD2-NE 3.12Å; D808-R810 IonicContact OD2-NH2 3.36Å; D808-R810 PolarHBondContact OD2-NH2 2.81Å; D808-L811 WeakPolarHBondContact O-CB 3.44Å; D808-L811 PolarHBondContact O-N 2.65Å
809	P	78.6	Confident	80.9	Confident	123 Å²	123	70.4 Å²	70.4	80%	0.799	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.3	177.2	22.7	-32.7	0	0	0	113.6	D807 L811	D807-P809 WeakPolarHBondContact O-CD 3.41Å; P809-L811 VanDerWaalsContact C-N 3.26Å; P809-L811 PolarHBondContact O-N 2.74Å
810	R	79.1	Confident	81.2	Confident	119 Å²	119	74 Å²	74	45%	0.449	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.6	176.7	-59.6	178	-64.9	162.3	4.1	113.2	D808 S812 E813 L814	D808-R810 PolarHBondContact O-N 2.87Å; D808-R810 VanDerWaalsContact O-N 3.09Å; D808-R810 VanDerWaalsContact OD1-CB 3.25Å; D808-R810 WeakPolarHBondContact OD1-CB 3.24Å; D808-R810 WeakPolarHBondContact OD1-CG 3.38Å; D808-R810 PolarHBondContact OD1-N 3.41Å; D808-R810 IonicContact OD1-NE 2.81Å; D808-R810 PolarHBondContact OD1-NE 2.84Å; D808-R810 IonicContact OD2-CZ 3.47Å; D808-R810 IonicContact OD2-NE 2.71Å; D808-R810 PolarHBondContact OD2-NE 2.8Å; D808-R810 VanDerWaalsContact OD2-NE 3.12Å; D808-R810 IonicContact OD2-NH2 3.36Å; D808-R810 PolarHBondContact OD2-NH2 2.81Å; R810-S812 VanDerWaalsContact C-N 3.3Å; R810-S812 PolarHBondContact O-N 3.13Å; R810-E813 PolarHBondContact O-N 3.2Å; R810-E813 VanDerWaalsContact O-N 3.12Å; R810-L814 HydrophobicContact CB-CD1 3.99Å; R810-L814 HydrophobicContact CB-CG 4.33Å; R810-L814 WeakPolarHBondContact O-CG 3.4Å; R810-L814 PolarHBondContact O-N 2.95Å
811	L	79.4	Confident	81.5	Confident	22 Å²	22	74 Å²	74	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-56.2	-41.3	-174.7	174.3	64.3	0	0	0	112.9	Y607 L805 D808 P809 E813 S815	Y607-L811 HydrophobicContact CD1-CD1 3.57Å; Y607-L811 HydrophobicContact CE1-CD1 3.54Å; Y607-L811 HydrophobicContact CE1-CD2 3.68Å; Y607-L811 HydrophobicContact CE1-CG 4.14Å; Y607-L811 HydrophobicContact CE2-CD2 4.21Å; Y607-L811 HydrophobicContact CG-CD1 4.13Å; Y607-L811 VanDerWaalsContact CZ-CD2 3.49Å; Y607-L811 WeakPolarHBondContact OH-CD2 3.28Å; L805-L811 HydrophobicContact CB-CD1 4.2Å; L805-L811 WeakPolarHBondContact O-CB 3.44Å; L805-L811 WeakPolarHBondContact O-CD2 3.47Å; D808-L811 WeakPolarHBondContact O-CB 3.44Å; D808-L811 PolarHBondContact O-N 2.65Å; P809-L811 VanDerWaalsContact C-N 3.26Å; P809-L811 PolarHBondContact O-N 2.74Å; L811-E813 VanDerWaalsContact C-N 3.3Å; L811-E813 PolarHBondContact O-N 2.87Å; L811-S815 WeakPolarHBondContact O-CB 3.41Å; L811-S815 PolarHBondContact O-N 3.48Å; L811-S815 PolarHBondContact O-OG 2.96Å
812	S	78.3	Confident	81.8	Confident	67 Å²	67	71.1 Å²	71.1	47%	0.469	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-38.3	-179.5	-170	0	0	0	0	112	R810 S815 K816	R810-S812 VanDerWaalsContact C-N 3.3Å; R810-S812 PolarHBondContact O-N 3.13Å; S812-S815 PolarHBondContact O-OG 2.95Å; S812-S815 VanDerWaalsContact O-OG 3.1Å; S812-K816 VanDerWaalsContact O-CD 3.29Å; S812-K816 WeakPolarHBondContact O-CD 3.4Å; S812-K816 WeakPolarHBondContact O-CG 3.39Å; S812-K816 PolarHBondContact O-N 3.11Å
813	E	82.4	Confident	82.2	Confident	144 Å²	144	70.4 Å²	70.4	67%	0.673	34%	0.339	S	S	*	.	H	α-helix	trans	-78.1	-46.1	178.9	-170.1	165.9	-163.1	0	0	111.4	R810 L811 S815 K816 V817	R810-E813 PolarHBondContact O-N 3.2Å; R810-E813 VanDerWaalsContact O-N 3.12Å; L811-E813 VanDerWaalsContact C-N 3.3Å; L811-E813 PolarHBondContact O-N 2.87Å; E813-S815 VanDerWaalsContact C-N 3.35Å; E813-S815 PolarHBondContact O-N 3.02Å; E813-K816 WeakPolarHBondContact O-CB 3.21Å; E813-K816 PolarHBondContact O-N 2.73Å; E813-K816 VanDerWaalsContact O-N 3.16Å; E813-V817 WeakPolarHBondContact O-CG2 3.26Å; E813-V817 PolarHBondContact O-N 2.72Å
814	L	85.3	Confident	82.6	Confident	18 Å²	18	70.4 Å²	70.4	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-45.2	177.1	-70.7	174.6	0	0	0	112.1	V598 D599 V604 L805 R810 K816 V817 Y818	V598-L814 HydrophobicContact CG1-CD2 4.45Å; D599-L814 HydrophobicContact CB-CD2 4.04Å; V604-L814 HydrophobicContact CG1-CB 4.38Å; V604-L814 HydrophobicContact CG2-CB 3.96Å; V604-L814 HydrophobicContact CG2-CD1 4.13Å; V604-L814 HydrophobicContact CG2-CG 4.45Å; L805-L814 HydrophobicContact CD2-CD1 4.24Å; R810-L814 HydrophobicContact CB-CD1 3.99Å; R810-L814 HydrophobicContact CB-CG 4.33Å; R810-L814 WeakPolarHBondContact O-CG 3.4Å; R810-L814 PolarHBondContact O-N 2.95Å; L814-K816 PolarHBondContact O-N 3.14Å; L814-V817 PolarHBondContact O-N 3.28Å; L814-Y818 VanDerWaalsContact O-CB 3.29Å; L814-Y818 WeakPolarHBondContact O-CB 3.32Å; L814-Y818 PolarHBondContact O-N 3.23Å
815	S	80	Confident	83.2	Confident	15 Å²	15	68.9 Å²	68.9	11%	0.105	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-37.7	177.5	61.5	0	0	0	0	112.5	L811 S812 E813 R819	L811-S815 WeakPolarHBondContact O-CB 3.41Å; L811-S815 PolarHBondContact O-N 3.48Å; L811-S815 PolarHBondContact O-OG 2.96Å; S812-S815 PolarHBondContact O-OG 2.95Å; S812-S815 VanDerWaalsContact O-OG 3.1Å; E813-S815 VanDerWaalsContact C-N 3.35Å; E813-S815 PolarHBondContact O-N 3.02Å; S815-R819 WeakPolarHBondContact O-CB 3.36Å; S815-R819 WeakPolarHBondContact O-CG 3.33Å; S815-R819 PolarHBondContact O-N 3.06Å
816	K	83.5	Confident	83.7	Confident	135 Å²	135	75 Å²	75	59%	0.587	36%	0.361	S	S	*	.	H	α-helix	trans	-64.5	-46.3	175.1	-75.9	169	-172.3	170	0	111.8	S812 E813 L814 K820	S812-K816 VanDerWaalsContact O-CD 3.29Å; S812-K816 WeakPolarHBondContact O-CD 3.4Å; S812-K816 WeakPolarHBondContact O-CG 3.39Å; S812-K816 PolarHBondContact O-N 3.11Å; E813-K816 WeakPolarHBondContact O-CB 3.21Å; E813-K816 PolarHBondContact O-N 2.73Å; E813-K816 VanDerWaalsContact O-N 3.16Å; L814-K816 PolarHBondContact O-N 3.14Å; K816-K820 PolarHBondContact O-N 3.48Å; K816-K820 VanDerWaalsContact O-N 3.11Å
817	V	86.4	Confident	84.2	Confident	51 Å²	51	78.8 Å²	78.8	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-66.1	-43.6	179.1	-178.2	0	0	0	0	110.7	T596 V598 E813 L814 K820 K821	T596-V817 HydrophobicContact CG2-CG1 3.82Å; V598-V817 HydrophobicContact CG2-CB 4.43Å; V598-V817 HydrophobicContact CG2-CG1 3.84Å; E813-V817 WeakPolarHBondContact O-CG2 3.26Å; E813-V817 PolarHBondContact O-N 2.72Å; L814-V817 PolarHBondContact O-N 3.28Å; V817-K820 WeakPolarHBondContact O-CB 3.35Å; V817-K820 PolarHBondContact O-N 3.38Å; V817-K821 PolarHBondContact O-N 3.26Å
818	Y	87.1	Confident	84.9	Confident	17 Å²	17	72.4 Å²	72.4	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-47.4	176.7	-177.3	-91.4	0	0	0	112.3	V598 E601 V604 E605 H608 L814 K820 K821 E822	V598-Y818 HydrophobicContact CG1-CD2 4.46Å; V598-Y818 HydrophobicContact CG2-CD2 4.43Å; E601-Y818 HydrophobicContact CG-CD2 4.41Å; E601-Y818 HydrophobicContact CG-CE2 4.24Å; V604-Y818 HydrophobicContact CB-CD2 4.45Å; V604-Y818 HydrophobicContact CG1-CD1 4.43Å; V604-Y818 HydrophobicContact CG1-CD2 4.12Å; V604-Y818 HydrophobicContact CG1-CG 3.77Å; E605-Y818 HydrophobicContact CB-CE2 3.8Å; E605-Y818 WeakPolarHBondContact CB-OH 3.12Å; E605-Y818 VanDerWaalsContact CG-OH 3.29Å; E605-Y818 WeakPolarHBondContact CG-OH 3.07Å; H608-Y818 HydrophobicContact CB-CD1 4.01Å; H608-Y818 HydrophobicContact CB-CE1 3.87Å; H608-Y818 AromaticContact CD2-CD1 3.9Å; H608-Y818 AromaticContact CD2-CE1 3.57Å; H608-Y818 AromaticContact CG-CD1 3.96Å; H608-Y818 AromaticContact CG-CE1 3.9Å; L814-Y818 VanDerWaalsContact O-CB 3.29Å; L814-Y818 WeakPolarHBondContact O-CB 3.32Å; L814-Y818 PolarHBondContact O-N 3.23Å; Y818-K820 VanDerWaalsContact C-N 3.28Å; Y818-K820 PolarHBondContact O-N 2.94Å; Y818-K821 WeakPolarHBondContact O-CA 3.45Å; Y818-K821 WeakPolarHBondContact O-CB 3.22Å; Y818-K821 PolarHBondContact O-N 3.27Å; Y818-E822 PolarHBondContact O-N 3.07Å
819	R	84.8	Confident	85.3	Confident	87 Å²	87	74.3 Å²	74.3	33%	0.328	35%	0.349	S	S	.	.	H	α-helix	trans	-56.8	-41.4	175.4	-75.9	173.6	-165.6	-171.9	3.8	111.9	S815 E822 Q823	S815-R819 WeakPolarHBondContact O-CB 3.36Å; S815-R819 WeakPolarHBondContact O-CG 3.33Å; S815-R819 PolarHBondContact O-N 3.06Å; R819-E822 PolarHBondContact O-N 3.24Å; R819-Q823 VanDerWaalsContact O-CG 3.28Å; R819-Q823 WeakPolarHBondContact O-CG 3.36Å; R819-Q823 PolarHBondContact O-N 2.88Å
820	K	87.1	Confident	85.7	Confident	122 Å²	122	71.1 Å²	71.1	53%	0.53	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-43.4	175.1	-176	-178.9	177.3	-175.7	0	111.6	K816 V817 Y818 Q823 L824	K816-K820 PolarHBondContact O-N 3.48Å; K816-K820 VanDerWaalsContact O-N 3.11Å; V817-K820 WeakPolarHBondContact O-CB 3.35Å; V817-K820 PolarHBondContact O-N 3.38Å; Y818-K820 VanDerWaalsContact C-N 3.28Å; Y818-K820 PolarHBondContact O-N 2.94Å; K820-Q823 PolarHBondContact O-N 3.29Å; K820-L824 WeakPolarHBondContact O-CG 3.43Å; K820-L824 PolarHBondContact O-N 2.95Å; K820-L824 VanDerWaalsContact O-N 3.08Å
821	K	89	Confident	86.1	Confident	20 Å²	20	65.9 Å²	65.9	9%	0.087	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-41.6	177.4	-168.7	177.8	-175.7	-175.5	0	111.9	Y593 T596 V598 E601 V817 Y818 L824 R825	Y593-K821 HydrophobicContact CD2-CG 3.83Å; Y593-K821 HydrophobicContact CE2-CD 4.32Å; Y593-K821 HydrophobicContact CE2-CG 3.52Å; T596-K821 HydrophobicContact CG2-CB 4.02Å; T596-K821 HydrophobicContact CG2-CD 4.46Å; T596-K821 HydrophobicContact CG2-CG 4.31Å; T596-K821 WeakPolarHBondContact O-CD 3.39Å; T596-K821 VanDerWaalsContact O-CE 3.24Å; T596-K821 WeakPolarHBondContact O-CE 3.42Å; T596-K821 PolarHBondContact O-NZ 3.33Å; V598-K821 HydrophobicContact CG2-CD 4Å; E601-K821 WeakPolarHBondContact OE1-CE 3.3Å; E601-K821 IonicContact OE1-NZ 3.23Å; E601-K821 PolarHBondContact OE1-NZ 3.25Å; E601-K821 IonicContact OE2-NZ 3.58Å; E601-K821 PolarHBondContact OE2-NZ 3.21Å; V817-K821 PolarHBondContact O-N 3.26Å; Y818-K821 WeakPolarHBondContact O-CA 3.45Å; Y818-K821 WeakPolarHBondContact O-CB 3.22Å; Y818-K821 PolarHBondContact O-N 3.27Å; K821-L824 WeakPolarHBondContact O-CB 3.43Å; K821-L824 PolarHBondContact O-N 2.9Å; K821-R825 PolarHBondContact O-N 2.97Å
822	E	87.5	Confident	86.4	Confident	36 Å²	36	66 Å²	66	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-40.6	176.7	-167.7	-174.3	157.7	0	0	112.3	H608 Y818 R819 L824 R825 K826	H608-E822 IonicContact CD2-OE2 3.67Å; H608-E822 PolarHBondContact CD2-OE2 2.69Å; H608-E822 VanDerWaalsContact CD2-OE2 3.27Å; H608-E822 IonicContact NE2-OE2 2.69Å; H608-E822 PolarHBondContact NE2-OE2 2.75Å; Y818-E822 PolarHBondContact O-N 3.07Å; R819-E822 PolarHBondContact O-N 3.24Å; E822-L824 VanDerWaalsContact C-N 3.33Å; E822-L824 PolarHBondContact O-N 3.13Å; E822-R825 WeakPolarHBondContact O-CB 3.19Å; E822-R825 PolarHBondContact O-N 2.99Å; E822-K826 PolarHBondContact O-N 2.71Å; E822-K826 WeakPolarHBondContact OE1-CE 3.13Å; E822-K826 IonicContact OE1-NZ 3.54Å; E822-K826 PolarHBondContact OE1-NZ 2.94Å
823	Q	89	Confident	86.6	Confident	136 Å²	136	65.8 Å²	65.8	64%	0.636	32%	0.318	S	S	*	.	H	α-helix	trans	-59.9	-42.7	173.4	-75.5	173.5	-1.2	0	0	111.8	R819 K820 K826 R827	R819-Q823 VanDerWaalsContact O-CG 3.28Å; R819-Q823 WeakPolarHBondContact O-CG 3.36Å; R819-Q823 PolarHBondContact O-N 2.88Å; K820-Q823 PolarHBondContact O-N 3.29Å; Q823-K826 PolarHBondContact O-N 2.71Å; Q823-R827 WeakPolarHBondContact O-CB 3.35Å; Q823-R827 PolarHBondContact O-N 3.2Å
824	L	90	Very high	86.6	Confident	24 Å²	24	62 Å²	62	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-43.8	174.5	-72.1	171.3	0	0	0	111.5	L589 T592 Y593 K820 K821 E822 R827 I828	L589-L824 HydrophobicContact CD2-CD2 3.75Å; T592-L824 HydrophobicContact CG2-CD1 3.87Å; T592-L824 HydrophobicContact CG2-CD2 4.49Å; Y593-L824 HydrophobicContact CD2-CB 4.09Å; K820-L824 WeakPolarHBondContact O-CG 3.43Å; K820-L824 PolarHBondContact O-N 2.95Å; K820-L824 VanDerWaalsContact O-N 3.08Å; K821-L824 WeakPolarHBondContact O-CB 3.43Å; K821-L824 PolarHBondContact O-N 2.9Å; E822-L824 VanDerWaalsContact C-N 3.33Å; E822-L824 PolarHBondContact O-N 3.13Å; L824-R827 PolarHBondContact O-N 3Å; L824-I828 VanDerWaalsContact O-CG1 3.29Å; L824-I828 WeakPolarHBondContact O-CG1 3.44Å; L824-I828 PolarHBondContact O-N 3.39Å
825	R	88.6	Confident	86.3	Confident	89 Å²	89	61.3 Å²	61.3	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-51.4	176.6	-174	177.9	173.5	-156.5	-2.9	112	Y593 K821 E822 R827 I828 D829	Y593-R825 HydrophobicContact CD2-CB 4.34Å; Y593-R825 HydrophobicContact CE2-CB 3.77Å; Y593-R825 HydrophobicContact CE2-CG 4.42Å; K821-R825 PolarHBondContact O-N 2.97Å; E822-R825 WeakPolarHBondContact O-CB 3.19Å; E822-R825 PolarHBondContact O-N 2.99Å; R825-R827 PolarHBondContact O-N 3.44Å; R825-I828 WeakPolarHBondContact O-CB 3.42Å; R825-I828 PolarHBondContact O-N 3.46Å; R825-I828 VanDerWaalsContact O-N 3.09Å; R825-D829 PolarHBondContact O-N 2.94Å
826	K	89.1	Confident	86.2	Confident	127 Å²	127	64 Å²	64	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-57.3	-38.7	176.9	-72	177.7	-177.3	166.6	0	111.6	E822 Q823 A830	E822-K826 PolarHBondContact O-N 2.71Å; E822-K826 WeakPolarHBondContact OE1-CE 3.13Å; E822-K826 IonicContact OE1-NZ 3.54Å; E822-K826 PolarHBondContact OE1-NZ 2.94Å; Q823-K826 PolarHBondContact O-N 2.71Å; K826-A830 VanDerWaalsContact O-CB 3.29Å; K826-A830 WeakPolarHBondContact O-CB 3.31Å; K826-A830 PolarHBondContact O-N 2.78Å
827	R	89	Confident	85.8	Confident	136 Å²	136	61.4 Å²	61.4	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-67.6	-41.5	176.1	-172.5	64	177.9	174.7	2.4	112.5	E585 L589 Q823 L824 R825 L831	E585-R827 IonicContact OE1-NE 3.2Å; E585-R827 IonicContact OE1-NH2 2.97Å; E585-R827 PolarHBondContact OE1-NH2 3.48Å; L589-R827 HydrophobicContact CD1-CG 3.76Å; Q823-R827 WeakPolarHBondContact O-CB 3.35Å; Q823-R827 PolarHBondContact O-N 3.2Å; L824-R827 PolarHBondContact O-N 3Å; R825-R827 PolarHBondContact O-N 3.44Å; R827-L831 VanDerWaalsContact O-CB 3.24Å; R827-L831 WeakPolarHBondContact O-CB 3.35Å; R827-L831 PolarHBondContact O-N 3.27Å
828	I	89.2	Confident	85.1	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-46.7	175.7	-71.2	164.5	0	0	0	110.5	L586 L589 R590 Y593 L824 R825 L831 T832	L586-I828 HydrophobicContact CD1-CG2 4.14Å; L589-I828 HydrophobicContact CB-CD1 4.37Å; L589-I828 HydrophobicContact CB-CG1 3.85Å; R590-I828 HydrophobicContact CG-CD1 4.21Å; R590-I828 HydrophobicContact CG-CG1 4.48Å; R590-I828 HydrophobicContact CG-CG2 4.27Å; Y593-I828 HydrophobicContact CD2-CD1 4.44Å; Y593-I828 HydrophobicContact CG-CD1 4.01Å; L824-I828 VanDerWaalsContact O-CG1 3.29Å; L824-I828 WeakPolarHBondContact O-CG1 3.44Å; L824-I828 PolarHBondContact O-N 3.39Å; R825-I828 WeakPolarHBondContact O-CB 3.42Å; R825-I828 PolarHBondContact O-N 3.46Å; R825-I828 VanDerWaalsContact O-N 3.09Å; I828-L831 PolarHBondContact O-N 3.29Å; I828-T832 VanDerWaalsContact O-CB 3.32Å; I828-T832 WeakPolarHBondContact O-CB 3.35Å; I828-T832 PolarHBondContact O-N 3.41Å; I828-T832 PolarHBondContact O-OG1 3.19Å
829	D	87.8	Confident	84.3	Confident	67 Å²	67	63 Å²	63	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-45.3	-179.8	-67.9	-26	0	0	0	110.7	R825 L831 T832 A833	R825-D829 PolarHBondContact O-N 2.94Å; D829-L831 PolarHBondContact O-N 3.08Å; D829-T832 PolarHBondContact O-N 2.87Å; D829-A833 WeakPolarHBondContact O-CB 3.32Å; D829-A833 PolarHBondContact O-N 3.31Å
830	A	88	Confident	83.9	Confident	57 Å²	57	62.1 Å²	62.1	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-42.5	175.4	0	0	0	0	0	112.8	K826 N834	K826-A830 VanDerWaalsContact O-CB 3.29Å; K826-A830 WeakPolarHBondContact O-CB 3.31Å; K826-A830 PolarHBondContact O-N 2.78Å; A830-N834 WeakPolarHBondContact O-CB 3.4Å; A830-N834 PolarHBondContact O-N 3.41Å
831	L	87	Confident	83.3	Confident	8 Å²	8	58 Å²	58	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-69.8	-36.8	178.8	-171.6	63.5	0	0	0	111.8	M582 E585 L586 L589 R827 I828 D829 N834 L835	M582-L831 HydrophobicContact CE-CD1 3.68Å; E585-L831 HydrophobicContact CB-CD2 4.23Å; E585-L831 HydrophobicContact CG-CD2 4.01Å; L586-L831 HydrophobicContact CB-CD2 3.8Å; L586-L831 HydrophobicContact CB-CG 4.49Å; L586-L831 HydrophobicContact CD1-CB 4.1Å; L586-L831 HydrophobicContact CD1-CD2 3.89Å; L586-L831 HydrophobicContact CD1-CG 4.1Å; L586-L831 HydrophobicContact CG-CD2 4.49Å; L589-L831 HydrophobicContact CD1-CD2 3.96Å; R827-L831 VanDerWaalsContact O-CB 3.24Å; R827-L831 WeakPolarHBondContact O-CB 3.35Å; R827-L831 PolarHBondContact O-N 3.27Å; I828-L831 PolarHBondContact O-N 3.29Å; D829-L831 PolarHBondContact O-N 3.08Å; L831-N834 PolarHBondContact O-N 3.43Å; L831-L835 WeakPolarHBondContact O-CG 3.39Å; L831-L835 PolarHBondContact O-N 3.22Å
832	T	85.2	Confident	82.7	Confident	26 Å²	26	58.7 Å²	58.7	16%	0.16	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-44.7	175.9	-55.7	0	0	0	0	111	I828 D829 N834 L835 N836	I828-T832 VanDerWaalsContact O-CB 3.32Å; I828-T832 WeakPolarHBondContact O-CB 3.35Å; I828-T832 PolarHBondContact O-N 3.41Å; I828-T832 PolarHBondContact O-OG1 3.19Å; D829-T832 PolarHBondContact O-N 2.87Å; T832-N834 VanDerWaalsContact C-N 3.34Å; T832-N834 PolarHBondContact O-N 3.34Å; T832-L835 PolarHBondContact O-N 3.2Å; T832-N836 PolarHBondContact O-N 2.83Å
833	A	83.3	Confident	82.4	Confident	61 Å²	61	59.4 Å²	59.4	50%	0.504	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-42.7	174.5	0	0	0	0	0	111.8	D829 N836 S837	D829-A833 WeakPolarHBondContact O-CB 3.32Å; D829-A833 PolarHBondContact O-N 3.31Å; A833-N836 PolarHBondContact O-N 2.94Å; A833-S837 PolarHBondContact O-N 2.96Å
834	N	82.1	Confident	82.2	Confident	66 Å²	66	56.4 Å²	56.4	35%	0.353	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-45.6	175.9	-171.4	-18.8	0	0	0	111.9	M582 A830 L831 T832 N836 S837 K838	M582-N834 HydrophobicContact CE-CB 4.21Å; A830-N834 WeakPolarHBondContact O-CB 3.4Å; A830-N834 PolarHBondContact O-N 3.41Å; L831-N834 PolarHBondContact O-N 3.43Å; T832-N834 VanDerWaalsContact C-N 3.34Å; T832-N834 PolarHBondContact O-N 3.34Å; N834-N836 PolarHBondContact O-N 3.01Å; N834-S837 PolarHBondContact O-N 2.98Å; N834-S837 PolarHBondContact O-OG 2.74Å; N834-K838 PolarHBondContact O-N 2.77Å; N834-K838 WeakPolarHBondContact OD1-CE 3.37Å
835	L	79.5	Confident	82.1	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-48.4	175.7	-82.3	169.5	0	0	0	112.2	L579 M582 Y583 L586 L831 T832 S837 K838 V839	L579-L835 HydrophobicContact CD2-CD2 3.62Å; M582-L835 HydrophobicContact CB-CD2 3.61Å; M582-L835 HydrophobicContact CB-CG 4.28Å; M582-L835 HydrophobicContact CE-CD2 4.08Å; M582-L835 HydrophobicContact CE-CG 4.11Å; M582-L835 HydrophobicContact SD-CD2 4.29Å; Y583-L835 HydrophobicContact CD1-CD1 4.19Å; Y583-L835 HydrophobicContact CD2-CD2 4.34Å; Y583-L835 HydrophobicContact CE1-CD1 4.2Å; Y583-L835 HydrophobicContact CE2-CD2 4.19Å; L586-L835 HydrophobicContact CB-CD1 4.33Å; L586-L835 HydrophobicContact CD2-CD1 3.72Å; L586-L835 HydrophobicContact CG-CD1 4.48Å; L831-L835 WeakPolarHBondContact O-CG 3.39Å; L831-L835 PolarHBondContact O-N 3.22Å; T832-L835 PolarHBondContact O-N 3.2Å; L835-S837 VanDerWaalsContact C-N 3.26Å; L835-S837 PolarHBondContact O-N 3.32Å; L835-K838 PolarHBondContact O-N 3.42Å; L835-K838 VanDerWaalsContact O-N 3.08Å; L835-V839 VanDerWaalsContact O-CG2 3.3Å; L835-V839 WeakPolarHBondContact O-CG2 3.49Å; L835-V839 PolarHBondContact O-N 3.27Å
836	N	77.1	Confident	82.1	Confident	72 Å²	72	61.7 Å²	61.7	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-38.1	177.7	-71.4	-20	0	0	0	112.2	T832 A833 N834 K838 S840	T832-N836 PolarHBondContact O-N 2.83Å; A833-N836 PolarHBondContact O-N 2.94Å; N834-N836 PolarHBondContact O-N 3.01Å; N836-K838 VanDerWaalsContact C-N 3.32Å; N836-K838 PolarHBondContact O-N 2.82Å; N836-S840 PolarHBondContact O-N 2.74Å; N836-S840 PolarHBondContact O-OG 3.2Å
837	S	74.2	Confident	82.2	Confident	79 Å²	79	55.6 Å²	55.6	55%	0.552	31%	0.306	S	S	*	.	H	α-helix	trans	-66	-33.8	176	76.9	0	0	0	0	113.1	A833 N834 L835	A833-S837 PolarHBondContact O-N 2.96Å; N834-S837 PolarHBondContact O-N 2.98Å; N834-S837 PolarHBondContact O-OG 2.74Å; L835-S837 VanDerWaalsContact C-N 3.26Å; L835-S837 PolarHBondContact O-N 3.32Å
838	K	71.7	Confident	82.4	Confident	51 Å²	51	51.2 Å²	51.2	22%	0.222	30%	0.296	C	S	.	.	H	α-helix	trans	-84.3	-24.9	-179.5	-73.8	-174.6	170.6	-165.5	0	114.5	S578 L579 M582 N834 L835 N836 S840	S578-K838 PolarHBondContact OG-NZ 2.75Å; L579-K838 HydrophobicContact CD2-CB 3.72Å; L579-K838 HydrophobicContact CD2-CD 4.25Å; M582-K838 HydrophobicContact CE-CD 4.09Å; M582-K838 HydrophobicContact SD-CD 3.7Å; M582-K838 PolarHBondContact SD-NZ 3.13Å; N834-K838 PolarHBondContact O-N 2.77Å; N834-K838 WeakPolarHBondContact OD1-CE 3.37Å; L835-K838 PolarHBondContact O-N 3.42Å; L835-K838 VanDerWaalsContact O-N 3.08Å; N836-K838 VanDerWaalsContact C-N 3.32Å; N836-K838 PolarHBondContact O-N 2.82Å; K838-S840 VanDerWaalsContact C-N 3.34Å
839	V	71.9	Confident	82.6	Confident	51 Å²	51	51.1 Å²	51.1	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-71.8	-34.7	175.2	170	0	0	0	0	110.4	L74 L579 L835	L74-V839 HydrophobicContact CD2-CG1 4.47Å; L579-V839 HydrophobicContact CD1-CG2 3.89Å; L579-V839 HydrophobicContact CD2-CG2 4.36Å; L835-V839 VanDerWaalsContact O-CG2 3.3Å; L835-V839 WeakPolarHBondContact O-CG2 3.49Å; L835-V839 PolarHBondContact O-N 3.27Å
840	S	75.5	Confident	83	Confident	68 Å²	68	49.7 Å²	49.7	48%	0.476	29%	0.285	S	S	.	.	S	Bend	trans	-58.5	147.2	171.1	-61.7	0	0	0	0	111.2	N836 K838 I842	N836-S840 PolarHBondContact O-N 2.74Å; N836-S840 PolarHBondContact O-OG 3.2Å; K838-S840 VanDerWaalsContact C-N 3.34Å; S840-I842 PolarHBondContact O-N 2.77Å
841	L	75.6	Confident	83.3	Confident	36 Å²	36	47.9 Å²	47.9	19%	0.188	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-58.4	125.8	172.3	-68.2	175.4	0	0	0	109.7	E567 Q572 Q843 L844	E567-L841 HydrophobicContact CB-CD2 4.39Å; E567-L841 HydrophobicContact CG-CD1 4.06Å; E567-L841 HydrophobicContact CG-CD2 3.48Å; E567-L841 VanDerWaalsContact CG-CD2 3.48Å; E567-L841 HydrophobicContact CG-CG 4.41Å; Q572-L841 HydrophobicContact CG-CD2 4.3Å; L841-Q843 PolarHBondContact O-N 3.38Å; L841-L844 HydrophobicContact CB-CB 4.21Å; L841-L844 WeakPolarHBondContact O-CB 3.42Å; L841-L844 PolarHBondContact O-N 2.91Å
842	I	76	Confident	83.8	Confident	34 Å²	34	51.5 Å²	51.5	17%	0.174	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	140.4	174.2	-62.9	162.4	0	0	0	108.4	M566 C571 Q572 N575 S840 L844	M566-I842 WeakPolarHBondContact CE-O 3.21Å; C571-I842 HydrophobicContact CB-CD1 4.12Å; C571-I842 WeakPolarHBondContact O-CD1 3.28Å; C571-I842 WeakPolarHBondContact SG-CD1 3.2Å; Q572-I842 HydrophobicContact CB-CD1 4.37Å; N575-I842 HydrophobicContact CB-CD1 3.92Å; N575-I842 WeakPolarHBondContact ND2-CD1 3.31Å; N575-I842 WeakPolarHBondContact ND2-CG1 3.1Å; S840-I842 PolarHBondContact O-N 2.77Å; I842-L844 PolarHBondContact O-N 3.41Å; I842-L844 VanDerWaalsContact O-N 3.1Å
843	Q	80.5	Confident	84.3	Confident	52 Å²	52	50.3 Å²	50.3	24%	0.243	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	14.9	176.2	-67.9	163.5	-27.5	0	0	115.5	F544 I546 M566 L841 E845 E846 L847	F544-Q843 PolarHBondContact O-NE2 3.12Å; I546-Q843 HydrophobicContact CD1-CB 3.81Å; I546-Q843 HydrophobicContact CG1-CB 4.42Å; M566-Q843 HydrophobicContact CE-CB 4.05Å; L841-Q843 PolarHBondContact O-N 3.38Å; Q843-E845 VanDerWaalsContact C-N 3.28Å; Q843-E845 PolarHBondContact O-N 2.97Å; Q843-E846 HydrophobicContact CB-CB 4.2Å; Q843-E846 WeakPolarHBondContact O-CA 3.24Å; Q843-E846 WeakPolarHBondContact O-CB 3.21Å; Q843-E846 PolarHBondContact O-N 2.89Å; Q843-L847 PolarHBondContact O-N 3.33Å
844	L	85.2	Confident	85	Confident	73 Å²	73	47.4 Å²	47.4	38%	0.382	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-37.2	177.9	-174.6	65.4	0	0	0	113.1	L841 I842 E846 L847 S848	L841-L844 HydrophobicContact CB-CB 4.21Å; L841-L844 WeakPolarHBondContact O-CB 3.42Å; L841-L844 PolarHBondContact O-N 2.91Å; I842-L844 PolarHBondContact O-N 3.41Å; I842-L844 VanDerWaalsContact O-N 3.1Å; L844-E846 VanDerWaalsContact C-N 3.34Å; L844-L847 HydrophobicContact CD1-CD2 4.38Å; L844-S848 WeakPolarHBondContact O-CB 3.47Å; L844-S848 PolarHBondContact O-N 2.93Å; L844-S848 PolarHBondContact O-OG 3.24Å
845	E	87	Confident	85.7	Confident	171 Å²	171	48.6 Å²	48.6	80%	0.799	25%	0.248	S	C	*	.	H	α-helix	trans	-66.5	-38.2	174.7	-65.7	-170.3	165.5	0	0	111.9	Q843 S848 A849	Q843-E845 VanDerWaalsContact C-N 3.28Å; Q843-E845 PolarHBondContact O-N 2.97Å; E845-S848 PolarHBondContact O-N 3.48Å; E845-A849 WeakPolarHBondContact O-CB 3.21Å; E845-A849 PolarHBondContact O-N 3.38Å
846	E	90.1	Very high	86.5	Confident	52 Å²	52	56 Å²	56	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-45.1	176.7	-170.8	-177.2	162	0	0	111	Q843 L844 S848 A849 R850 L947	Q843-E846 HydrophobicContact CB-CB 4.2Å; Q843-E846 WeakPolarHBondContact O-CA 3.24Å; Q843-E846 WeakPolarHBondContact O-CB 3.21Å; Q843-E846 PolarHBondContact O-N 2.89Å; L844-E846 VanDerWaalsContact C-N 3.34Å; E846-S848 VanDerWaalsContact C-N 3.27Å; E846-S848 PolarHBondContact O-N 2.95Å; E846-A849 PolarHBondContact O-N 3.41Å; E846-A849 VanDerWaalsContact O-N 3.13Å; E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 3.31Å; E846-R850 IonicContact OE1-CZ 3.62Å; E846-R850 VanDerWaalsContact OE1-CZ 3.3Å; E846-R850 IonicContact OE1-NE 2.72Å; E846-R850 PolarHBondContact OE1-NE 2.84Å; E846-R850 IonicContact OE1-NH2 3.51Å; E846-R850 PolarHBondContact OE1-NH2 2.9Å; E846-L947 HydrophobicContact CG-CD1 4.03Å
847	L	91.4	Very high	87.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-51.9	-50.5	171.6	175.7	63.7	0	0	0	110.3	I546 L551 P562 E563 M566 Q843 L844 A849 R850 K851	I546-L847 HydrophobicContact CD1-CB 3.72Å; I546-L847 HydrophobicContact CD1-CD1 4.43Å; L551-L847 HydrophobicContact CD1-CD1 4.28Å; L551-L847 HydrophobicContact CD2-CD1 3.23Å; L551-L847 HydrophobicContact CG-CD1 4.39Å; P562-L847 HydrophobicContact CB-CD1 3.84Å; P562-L847 HydrophobicContact CB-CD2 4.29Å; E563-L847 HydrophobicContact CG-CD2 3.92Å; M566-L847 HydrophobicContact CE-CB 4.29Å; M566-L847 HydrophobicContact SD-CB 3.96Å; M566-L847 HydrophobicContact SD-CD1 4.32Å; M566-L847 HydrophobicContact SD-CD2 3.57Å; M566-L847 VanDerWaalsContact SD-CD2 3.57Å; M566-L847 HydrophobicContact SD-CG 4.13Å; Q843-L847 PolarHBondContact O-N 3.33Å; L844-L847 HydrophobicContact CD1-CD2 4.38Å; L847-A849 VanDerWaalsContact C-N 3.33Å; L847-A849 PolarHBondContact O-N 2.75Å; L847-R850 PolarHBondContact O-N 3.28Å; L847-K851 HydrophobicContact CD1-CD 4.41Å; L847-K851 HydrophobicContact CD1-CG 4.37Å; L847-K851 HydrophobicContact CG-CD 4.29Å; L847-K851 WeakPolarHBondContact O-CB 3.49Å; L847-K851 WeakPolarHBondContact O-CG 3.37Å; L847-K851 PolarHBondContact O-N 2.93Å
848	S	92.3	Very high	88.5	Confident	44 Å²	44	53.8 Å²	53.8	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-40.2	-179.9	-62.1	0	0	0	0	111.9	L844 E845 E846 R852	L844-S848 WeakPolarHBondContact O-CB 3.47Å; L844-S848 PolarHBondContact O-N 2.93Å; L844-S848 PolarHBondContact O-OG 3.24Å; E845-S848 PolarHBondContact O-N 3.48Å; E846-S848 VanDerWaalsContact C-N 3.27Å; E846-S848 PolarHBondContact O-N 2.95Å; S848-R852 WeakPolarHBondContact O-CG 3.5Å; S848-R852 PolarHBondContact O-N 3.22Å
849	A	94.3	Very high	89.7	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-45.9	176	0	0	0	0	0	111.7	E845 E846 L847 R852 V853 C945 L947	E845-A849 WeakPolarHBondContact O-CB 3.21Å; E845-A849 PolarHBondContact O-N 3.38Å; E846-A849 PolarHBondContact O-N 3.41Å; E846-A849 VanDerWaalsContact O-N 3.13Å; L847-A849 VanDerWaalsContact C-N 3.33Å; L847-A849 PolarHBondContact O-N 2.75Å; A849-R852 WeakPolarHBondContact O-CB 3.3Å; A849-R852 PolarHBondContact O-N 2.96Å; A849-R852 VanDerWaalsContact O-N 3.14Å; A849-V853 WeakPolarHBondContact O-CG2 3.44Å; A849-V853 PolarHBondContact O-N 3.29Å; A849-C945 WeakPolarHBondContact CB-O 3.35Å; A849-L947 HydrophobicContact CB-CB 4.26Å
850	R	95.5	Very high	90.8	Very high	38 Å²	38	49.1 Å²	49.1	14%	0.143	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-42.2	176.9	-70.5	176.1	-179.3	-92.8	4.3	112.1	I546 Y548 L551 E846 L847 R852 V853 L854 L947	I546-R850 PolarHBondContact O-NE 2.94Å; I546-R850 VanDerWaalsContact O-NE 3.08Å; I546-R850 PolarHBondContact O-NH1 3.35Å; I546-R850 PolarHBondContact O-NH2 3.25Å; Y548-R850 HydrophobicContact CD1-CB 4.29Å; Y548-R850 HydrophobicContact CE1-CB 3.73Å; Y548-R850 HydrophobicContact CE1-CG 3.85Å; L551-R850 HydrophobicContact CD1-CB 3.49Å; L551-R850 VanDerWaalsContact CD1-CB 3.49Å; L551-R850 HydrophobicContact CD1-CG 4.39Å; E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 3.31Å; E846-R850 IonicContact OE1-CZ 3.62Å; E846-R850 VanDerWaalsContact OE1-CZ 3.3Å; E846-R850 IonicContact OE1-NE 2.72Å; E846-R850 PolarHBondContact OE1-NE 2.84Å; E846-R850 IonicContact OE1-NH2 3.51Å; E846-R850 PolarHBondContact OE1-NH2 2.9Å; L847-R850 PolarHBondContact O-N 3.28Å; R850-R852 VanDerWaalsContact C-N 3.3Å; R850-R852 PolarHBondContact O-N 3.49Å; R850-V853 WeakPolarHBondContact O-CB 3.45Å; R850-V853 PolarHBondContact O-N 3.13Å; R850-V853 VanDerWaalsContact O-N 3.12Å; R850-L854 WeakPolarHBondContact O-CG 3.48Å; R850-L854 PolarHBondContact O-N 3.46Å; R850-L947 HydrophobicContact CG-CD2 4.15Å
851	K	94.8	Very high	91.7	Very high	18 Å²	18	47.1 Å²	47.1	8%	0.078	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-41.6	171	-76.1	-178.8	169.9	-167.8	0	111.6	E563 L847 L854 R855 D864	E563-K851 IonicContact OE1-NZ 3.42Å; E563-K851 PolarHBondContact OE1-NZ 3.37Å; E563-K851 IonicContact OE2-NZ 3.74Å; L847-K851 HydrophobicContact CD1-CD 4.41Å; L847-K851 HydrophobicContact CD1-CG 4.37Å; L847-K851 HydrophobicContact CG-CD 4.29Å; L847-K851 WeakPolarHBondContact O-CB 3.49Å; L847-K851 WeakPolarHBondContact O-CG 3.37Å; L847-K851 PolarHBondContact O-N 2.93Å; K851-L854 PolarHBondContact O-N 2.9Å; K851-R855 WeakPolarHBondContact O-CB 3.49Å; K851-R855 WeakPolarHBondContact O-CG 3.45Å; K851-R855 PolarHBondContact O-N 3.44Å; K851-R855 PolarHBondContact O-NE 3.14Å; K851-D864 WeakPolarHBondContact CD-OD2 3.47Å; K851-D864 WeakPolarHBondContact CE-OD2 3.39Å; K851-D864 IonicContact NZ-OD2 2.93Å; K851-D864 PolarHBondContact NZ-OD2 3Å; K851-D864 VanDerWaalsContact NZ-OD2 3.09Å
852	R	96.1	Very high	92.4	Very high	85 Å²	85	53.1 Å²	53.1	32%	0.321	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-42.1	174.1	-74.5	-172.5	-63.6	-102.7	1.3	112.3	S848 A849 R850 R855 R856 C945	S848-R852 WeakPolarHBondContact O-CG 3.5Å; S848-R852 PolarHBondContact O-N 3.22Å; A849-R852 WeakPolarHBondContact O-CB 3.3Å; A849-R852 PolarHBondContact O-N 2.96Å; A849-R852 VanDerWaalsContact O-N 3.14Å; R850-R852 VanDerWaalsContact C-N 3.3Å; R850-R852 PolarHBondContact O-N 3.49Å; R852-R855 PolarHBondContact O-N 2.93Å; R852-R856 VanDerWaalsContact O-CB 3.29Å; R852-R856 WeakPolarHBondContact O-CB 3.33Å; R852-R856 PolarHBondContact O-N 2.74Å; R852-C945 HydrophobicContact CB-CB 4.04Å; R852-C945 PolarHBondContact NE-O 3.29Å; R852-C945 VanDerWaalsContact NE-O 3.16Å; R852-C945 PolarHBondContact NH2-O 3.49Å
853	V	97.1	Very high	93.1	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-49.3	176.3	175.3	0	0	0	0	110.8	Y548 A849 R850 R855 R856 L857 I941 C945	Y548-V853 HydrophobicContact CE1-CB 4.21Å; Y548-V853 HydrophobicContact CE1-CG1 4.23Å; Y548-V853 WeakPolarHBondContact OH-CG1 3.49Å; A849-V853 WeakPolarHBondContact O-CG2 3.44Å; A849-V853 PolarHBondContact O-N 3.29Å; R850-V853 WeakPolarHBondContact O-CB 3.45Å; R850-V853 PolarHBondContact O-N 3.13Å; R850-V853 VanDerWaalsContact O-N 3.12Å; V853-R855 VanDerWaalsContact C-N 3.31Å; V853-R855 PolarHBondContact O-N 2.97Å; V853-R856 PolarHBondContact O-N 2.83Å; V853-R856 VanDerWaalsContact O-N 3.12Å; V853-L857 HydrophobicContact CG1-CD1 3.77Å; V853-L857 HydrophobicContact CG1-CG 4.38Å; V853-L857 WeakPolarHBondContact O-CG 3.41Å; V853-L857 PolarHBondContact O-N 3.21Å; V853-I941 HydrophobicContact CG1-CG2 4.44Å; V853-C945 HydrophobicContact CG2-CB 3.47Å; V853-C945 VanDerWaalsContact CG2-CB 3.47Å
854	L	97.3	Very high	93.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-42	178.3	-68.6	178.2	0	0	0	112	Y548 L551 L552 R850 K851 N858 F859 V860 L882	Y548-L854 HydrophobicContact CD1-CD1 4.27Å; Y548-L854 HydrophobicContact CD1-CD2 3.73Å; Y548-L854 HydrophobicContact CD1-CG 3.91Å; Y548-L854 HydrophobicContact CE1-CD2 4.25Å; Y548-L854 HydrophobicContact CE1-CG 4.19Å; L551-L854 HydrophobicContact CB-CD1 4.17Å; L551-L854 HydrophobicContact CD1-CD1 4.32Å; L552-L854 HydrophobicContact CD2-CD1 4.18Å; L552-L854 HydrophobicContact CD2-CD2 4.16Å; L552-L854 HydrophobicContact CG-CD1 4.4Å; L552-L854 HydrophobicContact CG-CD2 4.39Å; R850-L854 WeakPolarHBondContact O-CG 3.48Å; R850-L854 PolarHBondContact O-N 3.46Å; K851-L854 PolarHBondContact O-N 2.9Å; L854-N858 PolarHBondContact O-N 3.08Å; L854-F859 HydrophobicContact CB-CB 4.3Å; L854-F859 HydrophobicContact CD2-CB 3.94Å; L854-F859 HydrophobicContact CD2-CG 4.2Å; L854-F859 PolarHBondContact O-N 3.01Å; L854-V860 HydrophobicContact CB-CB 4.27Å; L854-V860 HydrophobicContact CB-CG2 3.95Å; L854-V860 HydrophobicContact CD1-CG2 4.16Å; L854-L882 HydrophobicContact CD2-CD2 3.76Å
855	R	96.8	Very high	93.8	Very high	90 Å²	90	61.3 Å²	61.3	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-44.3	173.6	-77.2	-175.3	-91.7	138.3	-6.9	112.6	K851 R852 V853 L857 N858 V860 S861 D864	K851-R855 WeakPolarHBondContact O-CB 3.49Å; K851-R855 WeakPolarHBondContact O-CG 3.45Å; K851-R855 PolarHBondContact O-N 3.44Å; K851-R855 PolarHBondContact O-NE 3.14Å; R852-R855 PolarHBondContact O-N 2.93Å; V853-R855 VanDerWaalsContact C-N 3.31Å; V853-R855 PolarHBondContact O-N 2.97Å; R855-L857 VanDerWaalsContact C-N 3.27Å; R855-L857 PolarHBondContact O-N 3.27Å; R855-N858 PolarHBondContact O-N 3.31Å; R855-N858 VanDerWaalsContact O-N 3.12Å; R855-V860 WeakPolarHBondContact CA-O 3.4Å; R855-S861 WeakPolarHBondContact CD-O 3.25Å; R855-S861 VanDerWaalsContact CG-O 3.29Å; R855-S861 WeakPolarHBondContact CG-O 3.39Å; R855-D864 IonicContact NE-OD1 3.51Å; R855-D864 PolarHBondContact NE-OD1 2.96Å
856	R	96.1	Very high	94	Very high	160 Å²	160	54.7 Å²	54.7	60%	0.604	25%	0.252	S	S	*	.	H	α-helix	trans	-65.5	-31	-179.2	-173.6	55.3	168.4	162.1	-0.5	112.9	R852 V853 I941	R852-R856 VanDerWaalsContact O-CB 3.29Å; R852-R856 WeakPolarHBondContact O-CB 3.33Å; R852-R856 PolarHBondContact O-N 2.74Å; V853-R856 PolarHBondContact O-N 2.83Å; V853-R856 VanDerWaalsContact O-N 3.12Å; R856-I941 HydrophobicContact CB-CG2 3.97Å; R856-I941 HydrophobicContact CG-CG2 3.59Å
857	L	96.4	Very high	94.3	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.052	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.7	176.5	-65.7	174.9	0	0	0	113.5	V853 R855 F859 K869 L882 I941	V853-L857 HydrophobicContact CG1-CD1 3.77Å; V853-L857 HydrophobicContact CG1-CG 4.38Å; V853-L857 WeakPolarHBondContact O-CG 3.41Å; V853-L857 PolarHBondContact O-N 3.21Å; R855-L857 VanDerWaalsContact C-N 3.27Å; R855-L857 PolarHBondContact O-N 3.27Å; L857-F859 HydrophobicContact CB-CD2 3.48Å; L857-F859 VanDerWaalsContact CB-CD2 3.48Å; L857-F859 HydrophobicContact CB-CE2 3.63Å; L857-F859 HydrophobicContact CD1-CE2 4.19Å; L857-K869 PolarHBondContact O-NZ 2.81Å; L857-L882 HydrophobicContact CD1-CD1 4.21Å; L857-I941 HydrophobicContact CD2-CD1 3.49Å; L857-I941 VanDerWaalsContact CD2-CD1 3.49Å; L857-I941 HydrophobicContact CD2-CG2 4.33Å; L857-I941 HydrophobicContact CG-CG2 4.32Å
858	N	96.2	Very high	94.4	Very high	94 Å²	94	60.3 Å²	60.3	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	37.5	-176.2	-46.1	-55.3	0	0	0	113.6	L854 R855 K869	L854-N858 PolarHBondContact O-N 3.08Å; R855-N858 PolarHBondContact O-N 3.31Å; R855-N858 VanDerWaalsContact O-N 3.12Å; N858-K869 WeakPolarHBondContact O-CB 3.49Å
859	F	97.3	Very high	94.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-82.7	-27.7	167.5	-76.6	-113	0	0	0	111.1	L552 L854 L857 E867 K869 G870 A873 L882 T885 E886	L552-F859 HydrophobicContact CD1-CD1 4.41Å; L552-F859 HydrophobicContact CD2-CB 4.29Å; L854-F859 HydrophobicContact CB-CB 4.3Å; L854-F859 HydrophobicContact CD2-CB 3.94Å; L854-F859 HydrophobicContact CD2-CG 4.2Å; L854-F859 PolarHBondContact O-N 3.01Å; L857-F859 HydrophobicContact CB-CD2 3.48Å; L857-F859 VanDerWaalsContact CB-CD2 3.48Å; L857-F859 HydrophobicContact CB-CE2 3.63Å; L857-F859 HydrophobicContact CD1-CE2 4.19Å; F859-E867 PolarHBondContact O-N 3.21Å; F859-K869 HydrophobicContact CD1-CB 4.21Å; F859-K869 HydrophobicContact CD2-CB 4.35Å; F859-K869 HydrophobicContact CD2-CD 4.38Å; F859-K869 HydrophobicContact CE1-CB 4.49Å; F859-K869 HydrophobicContact CE2-CD 4.31Å; F859-K869 HydrophobicContact CG-CB 4.13Å; F859-G870 WeakPolarHBondContact O-CA 3.33Å; F859-G870 PolarHBondContact O-N 3.4Å; F859-A873 HydrophobicContact CD1-CB 3.79Å; F859-A873 HydrophobicContact CE1-CB 3.6Å; F859-L882 HydrophobicContact CD1-CD2 3.85Å; F859-L882 HydrophobicContact CD2-CD2 4.4Å; F859-L882 HydrophobicContact CE1-CD2 3.52Å; F859-L882 HydrophobicContact CE2-CD2 4.13Å; F859-L882 HydrophobicContact CG-CD2 4.29Å; F859-L882 HydrophobicContact CZ-CB 4.27Å; F859-L882 HydrophobicContact CZ-CD2 3.69Å; F859-T885 HydrophobicContact CE1-CG2 3.68Å; F859-T885 HydrophobicContact CZ-CG2 3.76Å; F859-E886 WeakPolarHBondContact CE2-OE1 3.45Å
860	V	95.4	Very high	94.6	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.024	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-140	142.5	-176.3	-177.4	0	0	0	0	107.5	L552 L555 L854 R855 D864 V865	L552-V860 HydrophobicContact CD2-CG2 4.09Å; L555-V860 HydrophobicContact CD1-CG1 4.12Å; L555-V860 HydrophobicContact CD1-CG2 3.87Å; L854-V860 HydrophobicContact CB-CB 4.27Å; L854-V860 HydrophobicContact CB-CG2 3.95Å; L854-V860 HydrophobicContact CD1-CG2 4.16Å; R855-V860 WeakPolarHBondContact CA-O 3.4Å; V860-D864 HydrophobicContact CG1-CB 4.36Å; V860-D864 WeakPolarHBondContact CG1-O 3.42Å; V860-V865 CarbonylContact C-O 3.59Å; V860-V865 WeakPolarHBondContact CA-O 3.27Å; V860-V865 WeakPolarHBondContact CG1-O 3.4Å
861	S	94	Very high	94.5	Very high	25 Å²	25	59.8 Å²	59.8	18%	0.175	28%	0.278	C	S	.	.			trans	-71.6	173.7	177.3	68.8	0	0	0	0	112.6	R855 Y863 D864 V865	R855-S861 WeakPolarHBondContact CD-O 3.25Å; R855-S861 VanDerWaalsContact CG-O 3.29Å; R855-S861 WeakPolarHBondContact CG-O 3.39Å; S861-Y863 PolarHBondContact O-N 2.82Å; S861-Y863 VanDerWaalsContact O-N 3.11Å; S861-D864 PolarHBondContact O-N 3.05Å; S861-D864 VanDerWaalsContact O-N 3.11Å; S861-V865 PolarHBondContact N-O 3.41Å; S861-V865 WeakPolarHBondContact OG-CB 3.4Å; S861-V865 PolarHBondContact OG-N 2.87Å; S861-V865 PolarHBondContact OG-O 3.18Å
862	E	91.1	Very high	94.6	Very high	163 Å²	163	59 Å²	59	76%	0.762	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.2	176.8	-63.6	-174.3	164.8	0	0	114.2
863	Y	89.8	Confident	94.6	Very high	198 Å²	198	54.9 Å²	54.9	78%	0.776	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	20	-179.8	-56.8	-75.2	0	0	0	113.4	S861 V865	S861-Y863 PolarHBondContact O-N 2.82Å; S861-Y863 VanDerWaalsContact O-N 3.11Å; Y863-V865 PolarHBondContact O-N 3.34Å
864	D	89	Confident	94.4	Very high	43 Å²	43	55.2 Å²	55.2	23%	0.23	26%	0.261	C	S	.	.	S	Bend	trans	60.8	19.6	-176.8	-68.1	-18.3	0	0	0	114.4	L555 K851 R855 V860 S861	L555-D864 HydrophobicContact CD2-CB 4.3Å; K851-D864 WeakPolarHBondContact CD-OD2 3.47Å; K851-D864 WeakPolarHBondContact CE-OD2 3.39Å; K851-D864 IonicContact NZ-OD2 2.93Å; K851-D864 PolarHBondContact NZ-OD2 3Å; K851-D864 VanDerWaalsContact NZ-OD2 3.09Å; R855-D864 IonicContact NE-OD1 3.51Å; R855-D864 PolarHBondContact NE-OD1 2.96Å; V860-D864 HydrophobicContact CG1-CB 4.36Å; V860-D864 WeakPolarHBondContact CG1-O 3.42Å; S861-D864 PolarHBondContact O-N 3.05Å; S861-D864 VanDerWaalsContact O-N 3.11Å
865	V	91.4	Very high	94.2	Very high	89 Å²	89	57 Å²	57	54%	0.539	27%	0.269	S	S	.	.			trans	-84.7	129.6	173.2	-175.6	0	0	0	0	110.5	V860 S861 Y863	V860-V865 CarbonylContact C-O 3.59Å; V860-V865 WeakPolarHBondContact CA-O 3.27Å; V860-V865 WeakPolarHBondContact CG1-O 3.4Å; S861-V865 PolarHBondContact N-O 3.41Å; S861-V865 WeakPolarHBondContact OG-CB 3.4Å; S861-V865 PolarHBondContact OG-N 2.87Å; S861-V865 PolarHBondContact OG-O 3.18Å; Y863-V865 PolarHBondContact O-N 3.34Å
866	I	92.5	Very high	94	Very high	32 Å²	32	52.7 Å²	52.7	16%	0.164	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-61	131.3	-179.9	-163.4	170.2	0	0	0	112.3	R556	R556-I866 HydrophobicContact CB-CD1 4.32Å
867	E	94.9	Very high	93.6	Very high	78 Å²	78	49 Å²	49	36%	0.364	25%	0.248	S	C	.	.			trans	-99.7	177.4	176.2	-63.2	-163.1	162.1	0	0	111.7	F859 K869 G870 C871	F859-E867 PolarHBondContact O-N 3.21Å; E867-K869 VanDerWaalsContact C-N 3.28Å; E867-K869 PolarHBondContact O-N 2.96Å; E867-G870 CarbonylContact O-C 3.5Å; E867-G870 WeakPolarHBondContact O-CA 3.45Å; E867-G870 PolarHBondContact O-N 3.07Å; E867-C871 PolarHBondContact O-N 3.3Å; E867-C871 PolarHBondContact O-SG 3.4Å
868	L	94.7	Very high	93.2	Very high	92 Å²	92	50.6 Å²	50.6	48%	0.482	26%	0.261	S	S	.	.	H	α-helix	trans	-54.8	-42.8	-179.4	-177.1	63.4	0	0	0	112.4	G870 C871 V872 F889	L868-G870 VanDerWaalsContact C-N 3.32Å; L868-G870 PolarHBondContact O-N 3.44Å; L868-C871 PolarHBondContact O-N 3.43Å; L868-V872 HydrophobicContact CD1-CG2 4.5Å; L868-V872 WeakPolarHBondContact O-CG2 3.34Å; L868-V872 PolarHBondContact O-N 2.95Å; L868-F889 HydrophobicContact CD2-CE1 4.29Å; L868-F889 HydrophobicContact CD2-CZ 4.24Å; L868-F889 HydrophobicContact CG-CZ 4.12Å
869	K	95.9	Very high	93	Very high	34 Å²	34	46.9 Å²	46.9	15%	0.148	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-43.7	174.2	-78.8	-172.7	169.7	-166	0	111.6	L857 N858 F859 E867 V872 A873 T885 E886 F889	L857-K869 PolarHBondContact O-NZ 2.81Å; N858-K869 WeakPolarHBondContact O-CB 3.49Å; F859-K869 HydrophobicContact CD1-CB 4.21Å; F859-K869 HydrophobicContact CD2-CB 4.35Å; F859-K869 HydrophobicContact CD2-CD 4.38Å; F859-K869 HydrophobicContact CE1-CB 4.49Å; F859-K869 HydrophobicContact CE2-CD 4.31Å; F859-K869 HydrophobicContact CG-CB 4.13Å; E867-K869 VanDerWaalsContact C-N 3.28Å; E867-K869 PolarHBondContact O-N 2.96Å; K869-V872 PolarHBondContact O-N 2.81Å; K869-A873 WeakPolarHBondContact O-CB 3.42Å; K869-A873 PolarHBondContact O-N 3.38Å; K869-T885 HydrophobicContact CB-CG2 4.07Å; K869-T885 HydrophobicContact CG-CG2 4.22Å; K869-E886 IonicContact NZ-OE1 3.62Å; K869-E886 PolarHBondContact NZ-OE1 3.13Å; K869-E886 IonicContact NZ-OE2 3.09Å; K869-E886 PolarHBondContact NZ-OE2 3.03Å; K869-F889 HydrophobicContact CB-CE2 4.3Å; K869-F889 HydrophobicContact CB-CZ 4.45Å; K869-F889 HydrophobicContact CG-CD1 4.23Å; K869-F889 HydrophobicContact CG-CD2 3.85Å; K869-F889 HydrophobicContact CG-CE1 4.01Å; K869-F889 HydrophobicContact CG-CE2 3.62Å; K869-F889 HydrophobicContact CG-CG 4.15Å; K869-F889 HydrophobicContact CG-CZ 3.7Å
870	G	95.3	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-43.7	176.1	0	0	0	0	0	113.1	F859 E867 L868 V872 A873 C874	F859-G870 WeakPolarHBondContact O-CA 3.33Å; F859-G870 PolarHBondContact O-N 3.4Å; E867-G870 CarbonylContact O-C 3.5Å; E867-G870 WeakPolarHBondContact O-CA 3.45Å; E867-G870 PolarHBondContact O-N 3.07Å; L868-G870 VanDerWaalsContact C-N 3.32Å; L868-G870 PolarHBondContact O-N 3.44Å; G870-V872 VanDerWaalsContact C-N 3.31Å; G870-V872 PolarHBondContact O-N 2.87Å; G870-A873 PolarHBondContact O-N 3.14Å; G870-C874 PolarHBondContact O-N 2.78Å; G870-C874 PolarHBondContact O-SG 2.99Å
871	C	93.5	Very high	92.9	Very high	40 Å²	40	49.5 Å²	49.5	27%	0.27	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-39.8	176.2	-67.1	0	0	0	0	112.3	E867 L868 C874 T1009	E867-C871 PolarHBondContact O-N 3.3Å; E867-C871 PolarHBondContact O-SG 3.4Å; L868-C871 PolarHBondContact O-N 3.43Å; C871-C874 PolarHBondContact O-N 2.96Å; C871-T1009 HydrophobicContact CB-CG2 4.13Å
872	V	95.7	Very high	93	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-43.6	176.4	171.8	0	0	0	0	110.7	L868 K869 G870 C874 E875 T885 L888 F889 A1006 T1009 I1010	L868-V872 HydrophobicContact CD1-CG2 4.5Å; L868-V872 WeakPolarHBondContact O-CG2 3.34Å; L868-V872 PolarHBondContact O-N 2.95Å; K869-V872 PolarHBondContact O-N 2.81Å; G870-V872 VanDerWaalsContact C-N 3.31Å; G870-V872 PolarHBondContact O-N 2.87Å; V872-C874 VanDerWaalsContact C-N 3.29Å; V872-C874 PolarHBondContact O-N 3.38Å; V872-E875 WeakPolarHBondContact O-CB 3.38Å; V872-E875 PolarHBondContact O-N 3.45Å; V872-E875 VanDerWaalsContact O-N 3.13Å; V872-T885 HydrophobicContact CB-CG2 4.43Å; V872-T885 HydrophobicContact CG1-CG2 4.19Å; V872-L888 HydrophobicContact CG1-CD2 3.81Å; V872-F889 HydrophobicContact CB-CE2 4.31Å; V872-F889 HydrophobicContact CG1-CE2 4.28Å; V872-F889 HydrophobicContact CG2-CE2 4.17Å; V872-F889 HydrophobicContact CG2-CZ 4.29Å; V872-A1006 HydrophobicContact CG1-CB 3.85Å; V872-T1009 HydrophobicContact CG2-CG2 4.01Å; V872-I1010 HydrophobicContact CB-CG1 4.48Å; V872-I1010 HydrophobicContact CG1-CD1 4.1Å; V872-I1010 HydrophobicContact CG1-CG1 4.23Å; V872-I1010 HydrophobicContact CG2-CD1 4.08Å; V872-I1010 HydrophobicContact CG2-CG1 3.38Å
873	A	96	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-30.7	178.6	0	0	0	0	0	113.3	L552 F859 K869 G870 E875 I876 E881 T885	L552-A873 HydrophobicContact CD1-CB 3.61Å; F859-A873 HydrophobicContact CD1-CB 3.79Å; F859-A873 HydrophobicContact CE1-CB 3.6Å; K869-A873 WeakPolarHBondContact O-CB 3.42Å; K869-A873 PolarHBondContact O-N 3.38Å; G870-A873 PolarHBondContact O-N 3.14Å; A873-E875 PolarHBondContact O-N 2.83Å; A873-I876 PolarHBondContact O-N 2.79Å; A873-I876 VanDerWaalsContact O-O 3.1Å; A873-E881 HydrophobicContact CB-CB 4.21Å; A873-E881 HydrophobicContact CB-CG 4.43Å; A873-T885 WeakPolarHBondContact CB-OG1 3.46Å
874	C	93	Very high	93.7	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.041	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.4	173.6	-66.8	0	0	0	0	113.5	G870 C871 V872 I876	G870-C874 PolarHBondContact O-N 2.78Å; G870-C874 PolarHBondContact O-SG 2.99Å; C871-C874 PolarHBondContact O-N 2.96Å; V872-C874 VanDerWaalsContact C-N 3.29Å; V872-C874 PolarHBondContact O-N 3.38Å; C874-I876 VanDerWaalsContact C-N 3.26Å
875	E	92.5	Very high	94.1	Very high	39 Å²	39	29.1 Å²	29.1	18%	0.182	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.6	177.5	-60.8	-58.4	144.3	0	0	112.4	R556 V872 A873 Q1002 N1005 A1006	R556-E875 IonicContact NH1-OE1 2.86Å; V872-E875 WeakPolarHBondContact O-CB 3.38Å; V872-E875 PolarHBondContact O-N 3.45Å; V872-E875 VanDerWaalsContact O-N 3.13Å; A873-E875 PolarHBondContact O-N 2.83Å; E875-Q1002 VanDerWaalsContact O-CB 3.28Å; E875-Q1002 WeakPolarHBondContact O-CB 3.22Å; E875-Q1002 WeakPolarHBondContact O-CG 3.18Å; E875-N1005 HydrophobicContact CB-CB 4.31Å; E875-N1005 HydrophobicContact CG-CB 4.39Å; E875-A1006 HydrophobicContact CB-CB 4.22Å
876	I	93.7	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.			trans	-103.6	115	-178.9	-53.7	174.5	0	0	0	108.4	N549 A873 C874 A879 E881 L884 L999 M1003 A1006	N549-I876 PolarHBondContact ND2-O 3.06Å; A873-I876 PolarHBondContact O-N 2.79Å; A873-I876 VanDerWaalsContact O-O 3.1Å; C874-I876 VanDerWaalsContact C-N 3.26Å; I876-A879 HydrophobicContact CG2-CB 4.47Å; I876-E881 HydrophobicContact CB-CB 3.93Å; I876-E881 HydrophobicContact CG2-CB 4.08Å; I876-L884 HydrophobicContact CD1-CB 3.7Å; I876-L884 HydrophobicContact CD1-CD1 4.33Å; I876-L884 HydrophobicContact CG2-CD1 3.74Å; I876-L999 HydrophobicContact CG2-CD1 4.28Å; I876-M1003 HydrophobicContact CD1-SD 3.7Å; I876-M1003 HydrophobicContact CG1-SD 4.21Å; I876-A1006 HydrophobicContact CG1-CB 4.42Å
877	T	88.2	Confident	94.6	Very high	82 Å²	82	24.2 Å²	24.2	50%	0.503	13%	0.134	S	C	.	.			trans	-125.6	-23.3	-176	58.2	0	0	0	0	113	Q1002	T877-Q1002 PolarHBondContact OG1-NE2 3.34Å; T877-Q1002 PolarHBondContact OG1-OE1 3.36Å
878	S	86.3	Confident	94.7	Very high	44 Å²	44	20.8 Å²	20.8	31%	0.308	12%	0.118	S	C	.	.	S	Bend	trans	-97.6	5.2	-174.4	66.5	0	0	0	0	114.4	Q1002	S878-Q1002 VanDerWaalsContact N-OE1 3.08Å; S878-Q1002 PolarHBondContact OG-NE2 3.44Å; S878-Q1002 PolarHBondContact OG-OE1 2.83Å; S878-Q1002 VanDerWaalsContact OG-OE1 3.13Å
879	A	92.7	Very high	94.7	Very high	15 Å²	15	20.1 Å²	20.1	12%	0.124	11%	0.111	C	C	.	.	S	Bend	trans	-158.8	172.8	-175.6	0	0	0	0	0	110.4	I876 E881 L884 F908 L999	I876-A879 HydrophobicContact CG2-CB 4.47Å; A879-E881 PolarHBondContact O-N 3.12Å; A879-L884 HydrophobicContact CB-CD1 3.6Å; A879-F908 HydrophobicContact CB-CB 3.9Å; A879-F908 HydrophobicContact CB-CD1 4.3Å; A879-F908 HydrophobicContact CB-CG 4.44Å; A879-L999 HydrophobicContact CB-CD1 3.61Å; A879-L999 HydrophobicContact CB-CD2 3.9Å; A879-L999 HydrophobicContact CB-CG 4.39Å
880	D	95.6	Very high	94.7	Very high	36 Å²	36	22.6 Å²	22.6	19%	0.193	13%	0.126	C	C	.	.			trans	-61	102.2	178	-168.2	-55.9	0	0	0	112.1	L882 L883 L884 F908 Y954 F958	D880-L882 VanDerWaalsContact C-N 3.33Å; D880-L882 PolarHBondContact O-N 3.32Å; D880-L882 PolarHBondContact OD1-N 2.56Å; D880-L882 VanDerWaalsContact OD1-N 3.13Å; D880-L883 HydrophobicContact CB-CB 4.33Å; D880-L883 WeakPolarHBondContact OD1-CB 3.44Å; D880-L883 PolarHBondContact OD1-N 3.28Å; D880-L884 WeakPolarHBondContact O-CB 3.38Å; D880-L884 WeakPolarHBondContact O-CD1 3.34Å; D880-L884 VanDerWaalsContact O-CG 3.28Å; D880-L884 WeakPolarHBondContact O-CG 3.41Å; D880-L884 PolarHBondContact O-N 3.26Å; D880-L884 VanDerWaalsContact O-N 3.11Å; D880-F908 HydrophobicContact CB-CD1 4.27Å; D880-F908 HydrophobicContact CB-CE1 4.27Å; D880-Y954 VanDerWaalsContact CG-OH 3.3Å; D880-Y954 PolarHBondContact OD1-OH 2.83Å; D880-Y954 VanDerWaalsContact OD2-CE2 3.3Å; D880-Y954 WeakPolarHBondContact OD2-CE2 3.43Å; D880-Y954 VanDerWaalsContact OD2-CZ 3.31Å; D880-Y954 PolarHBondContact OD2-OH 2.9Å; D880-F958 HydrophobicContact CB-CE1 3.86Å; D880-F958 HydrophobicContact CB-CZ 4.04Å
881	E	95.3	Very high	94.6	Very high	23 Å²	23	23.1 Å²	23.1	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-69.6	-28.7	-175	65	-85.8	-152.1	0	0	112.8	Y548 N549 L552 A873 I876 A879 T885	Y548-E881 VanDerWaalsContact C-OE1 3.28Å; Y548-E881 WeakPolarHBondContact CB-OE1 3.48Å; N549-E881 WeakPolarHBondContact CA-OE1 3.4Å; N549-E881 WeakPolarHBondContact CB-OE1 3.15Å; N549-E881 PolarHBondContact N-OE1 3.46Å; L552-E881 HydrophobicContact CD1-CG 4.29Å; A873-E881 HydrophobicContact CB-CB 4.21Å; A873-E881 HydrophobicContact CB-CG 4.43Å; I876-E881 HydrophobicContact CB-CB 3.93Å; I876-E881 HydrophobicContact CG2-CB 4.08Å; A879-E881 PolarHBondContact O-N 3.12Å; E881-T885 WeakPolarHBondContact O-CB 3.32Å; E881-T885 PolarHBondContact O-N 2.93Å; E881-T885 VanDerWaalsContact O-N 3.16Å; E881-T885 PolarHBondContact O-OG1 3.47Å
882	L	96.8	Very high	94.7	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-73.6	-52	179.6	-60.9	-171.1	0	0	0	110	Y548 L854 L857 F859 D880 T885 E886 I938	Y548-L882 HydrophobicContact CD1-CD1 4.13Å; Y548-L882 HydrophobicContact CD2-CD1 3.5Å; Y548-L882 HydrophobicContact CD2-CG 4.09Å; Y548-L882 HydrophobicContact CE1-CD1 4.11Å; Y548-L882 HydrophobicContact CE2-CD1 3.49Å; Y548-L882 VanDerWaalsContact CE2-CD1 3.49Å; Y548-L882 HydrophobicContact CG-CD1 3.83Å; Y548-L882 HydrophobicContact CG-CD2 4.41Å; Y548-L882 HydrophobicContact CG-CG 4.22Å; L854-L882 HydrophobicContact CD2-CD2 3.76Å; L857-L882 HydrophobicContact CD1-CD1 4.21Å; F859-L882 HydrophobicContact CD1-CD2 3.85Å; F859-L882 HydrophobicContact CD2-CD2 4.4Å; F859-L882 HydrophobicContact CE1-CD2 3.52Å; F859-L882 HydrophobicContact CE2-CD2 4.13Å; F859-L882 HydrophobicContact CG-CD2 4.29Å; F859-L882 HydrophobicContact CZ-CB 4.27Å; F859-L882 HydrophobicContact CZ-CD2 3.69Å; D880-L882 VanDerWaalsContact C-N 3.33Å; D880-L882 PolarHBondContact O-N 3.32Å; D880-L882 PolarHBondContact OD1-N 2.56Å; D880-L882 VanDerWaalsContact OD1-N 3.13Å; L882-T885 PolarHBondContact O-N 2.9Å; L882-E886 WeakPolarHBondContact O-CG 3.37Å; L882-E886 PolarHBondContact O-N 3.24Å; L882-I938 HydrophobicContact CB-CD1 4.27Å; L882-I938 HydrophobicContact CD1-CG2 4.48Å
883	L	97.5	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-46.3	-178.9	179.8	56.6	0	0	0	111.3	D880 T885 E886 L887 F908 L931 T934 A935 I938 F958	D880-L883 HydrophobicContact CB-CB 4.33Å; D880-L883 WeakPolarHBondContact OD1-CB 3.44Å; D880-L883 PolarHBondContact OD1-N 3.28Å; L883-T885 VanDerWaalsContact C-N 3.31Å; L883-T885 PolarHBondContact O-N 3Å; L883-E886 PolarHBondContact O-N 3.48Å; L883-L887 HydrophobicContact CD1-CD1 4.2Å; L883-L887 HydrophobicContact CD1-CG 4.17Å; L883-L887 HydrophobicContact CG-CD1 4.11Å; L883-L887 VanDerWaalsContact O-CG 3.26Å; L883-L887 WeakPolarHBondContact O-CG 3.49Å; L883-L887 PolarHBondContact O-N 3.23Å; L883-F908 HydrophobicContact CB-CE1 4.18Å; L883-F908 HydrophobicContact CD2-CE1 3.68Å; L883-F908 HydrophobicContact CD2-CZ 3.77Å; L883-F908 HydrophobicContact CG-CE1 3.94Å; L883-F908 HydrophobicContact CG-CZ 3.92Å; L883-L931 HydrophobicContact CD2-CD2 4.11Å; L883-L931 HydrophobicContact CD2-CG 4.19Å; L883-T934 HydrophobicContact CD1-CG2 3.47Å; L883-T934 VanDerWaalsContact CD1-CG2 3.47Å; L883-A935 HydrophobicContact CD1-CB 4.29Å; L883-A935 HydrophobicContact CD2-CB 3.88Å; L883-I938 HydrophobicContact CB-CD1 3.94Å; L883-I938 HydrophobicContact CD1-CD1 4.03Å; L883-F958 HydrophobicContact CD2-CD1 4.15Å; L883-F958 HydrophobicContact CD2-CD2 4.01Å; L883-F958 HydrophobicContact CD2-CE1 3.73Å; L883-F958 HydrophobicContact CD2-CE2 3.57Å; L883-F958 HydrophobicContact CD2-CG 4.29Å; L883-F958 HydrophobicContact CD2-CZ 3.42Å; L883-F958 VanDerWaalsContact CD2-CZ 3.42Å
884	L	97.9	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-40	178.8	-74.6	171	0	0	0	112.3	I876 A879 D880 L887 L888 F893 L905 F908 L999 M1003	I876-L884 HydrophobicContact CD1-CB 3.7Å; I876-L884 HydrophobicContact CD1-CD1 4.33Å; I876-L884 HydrophobicContact CG2-CD1 3.74Å; A879-L884 HydrophobicContact CB-CD1 3.6Å; D880-L884 WeakPolarHBondContact O-CB 3.38Å; D880-L884 WeakPolarHBondContact O-CD1 3.34Å; D880-L884 VanDerWaalsContact O-CG 3.28Å; D880-L884 WeakPolarHBondContact O-CG 3.41Å; D880-L884 PolarHBondContact O-N 3.26Å; D880-L884 VanDerWaalsContact O-N 3.11Å; L884-L887 PolarHBondContact O-N 3.32Å; L884-L888 WeakPolarHBondContact O-CB 3.28Å; L884-L888 PolarHBondContact O-N 2.8Å; L884-F893 HydrophobicContact CD2-CZ 4.28Å; L884-L905 HydrophobicContact CD2-CD2 3.33Å; L884-F908 HydrophobicContact CD1-CD1 4.12Å; L884-F908 HydrophobicContact CD1-CE1 4.29Å; L884-F908 HydrophobicContact CD1-CG 4.44Å; L884-F908 HydrophobicContact CD2-CD1 4.13Å; L884-F908 HydrophobicContact CD2-CD2 3.92Å; L884-F908 HydrophobicContact CD2-CE1 3.77Å; L884-F908 HydrophobicContact CD2-CE2 3.53Å; L884-F908 HydrophobicContact CD2-CG 4.2Å; L884-F908 HydrophobicContact CD2-CZ 3.45Å; L884-F908 VanDerWaalsContact CD2-CZ 3.45Å; L884-F908 HydrophobicContact CG-CD1 3.93Å; L884-F908 HydrophobicContact CG-CE1 3.6Å; L884-F908 HydrophobicContact CG-CE2 4.31Å; L884-F908 HydrophobicContact CG-CG 4.42Å; L884-F908 HydrophobicContact CG-CZ 3.82Å; L884-L999 HydrophobicContact CD1-CD1 3.77Å; L884-L999 HydrophobicContact CD1-CD2 4.41Å; L884-M1003 HydrophobicContact CB-SD 4.18Å; L884-M1003 HydrophobicContact CD1-SD 4.22Å; L884-M1003 HydrophobicContact CD2-CE 4.49Å; L884-M1003 HydrophobicContact CD2-SD 4.3Å; L884-M1003 HydrophobicContact CG-SD 4.49Å
885	T	97.4	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-46.5	175.7	-60.8	0	0	0	0	110.8	F859 K869 V872 A873 E881 L882 L883 L887 L888 F889	F859-T885 HydrophobicContact CE1-CG2 3.68Å; F859-T885 HydrophobicContact CZ-CG2 3.76Å; K869-T885 HydrophobicContact CB-CG2 4.07Å; K869-T885 HydrophobicContact CG-CG2 4.22Å; V872-T885 HydrophobicContact CB-CG2 4.43Å; V872-T885 HydrophobicContact CG1-CG2 4.19Å; A873-T885 WeakPolarHBondContact CB-OG1 3.46Å; E881-T885 WeakPolarHBondContact O-CB 3.32Å; E881-T885 PolarHBondContact O-N 2.93Å; E881-T885 VanDerWaalsContact O-N 3.16Å; E881-T885 PolarHBondContact O-OG1 3.47Å; L882-T885 PolarHBondContact O-N 2.9Å; L883-T885 VanDerWaalsContact C-N 3.31Å; L883-T885 PolarHBondContact O-N 3Å; T885-L887 VanDerWaalsContact C-N 3.34Å; T885-L887 PolarHBondContact O-N 3.3Å; T885-L888 WeakPolarHBondContact O-CB 3.44Å; T885-L888 PolarHBondContact O-N 3.39Å; T885-L888 VanDerWaalsContact O-N 3.12Å; T885-F889 HydrophobicContact CG2-CD2 3.76Å; T885-F889 HydrophobicContact CG2-CE2 3.76Å; T885-F889 VanDerWaalsContact O-CD2 3.31Å; T885-F889 WeakPolarHBondContact O-CD2 3.31Å; T885-F889 PolarHBondContact O-N 3Å
886	E	97.4	Very high	94.7	Very high	17 Å²	17	35 Å²	35	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-44.8	175.8	-72.2	-59	144.4	0	0	112	F859 K869 L882 L883 L888 F889 D890 T934 I938	F859-E886 WeakPolarHBondContact CE2-OE1 3.45Å; K869-E886 IonicContact NZ-OE1 3.62Å; K869-E886 PolarHBondContact NZ-OE1 3.13Å; K869-E886 IonicContact NZ-OE2 3.09Å; K869-E886 PolarHBondContact NZ-OE2 3.03Å; L882-E886 WeakPolarHBondContact O-CG 3.37Å; L882-E886 PolarHBondContact O-N 3.24Å; L883-E886 PolarHBondContact O-N 3.48Å; E886-L888 VanDerWaalsContact C-N 3.26Å; E886-L888 PolarHBondContact O-N 3.24Å; E886-F889 PolarHBondContact O-N 3.1Å; E886-D890 WeakPolarHBondContact O-CB 3.19Å; E886-D890 PolarHBondContact O-N 3.11Å; E886-T934 HydrophobicContact CB-CG2 3.72Å; E886-T934 HydrophobicContact CG-CG2 4.45Å; E886-I938 HydrophobicContact CG-CD1 4.21Å
887	L	97.3	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-32.6	177.2	-66.7	173.1	0	0	0	113.1	L883 L884 T885 G891 V892 F893 F908 T930 L931	L883-L887 HydrophobicContact CD1-CD1 4.2Å; L883-L887 HydrophobicContact CD1-CG 4.17Å; L883-L887 HydrophobicContact CG-CD1 4.11Å; L883-L887 VanDerWaalsContact O-CG 3.26Å; L883-L887 WeakPolarHBondContact O-CG 3.49Å; L883-L887 PolarHBondContact O-N 3.23Å; L884-L887 PolarHBondContact O-N 3.32Å; T885-L887 VanDerWaalsContact C-N 3.34Å; T885-L887 PolarHBondContact O-N 3.3Å; L887-G891 PolarHBondContact O-N 3.26Å; L887-V892 HydrophobicContact CB-CG2 4.44Å; L887-V892 HydrophobicContact CD2-CG2 3.89Å; L887-V892 WeakPolarHBondContact O-CB 3.42Å; L887-V892 PolarHBondContact O-N 2.86Å; L887-V892 VanDerWaalsContact O-N 3.14Å; L887-F893 HydrophobicContact CB-CE2 3.68Å; L887-F893 HydrophobicContact CB-CZ 4.06Å; L887-F893 HydrophobicContact CD1-CZ 4.44Å; L887-F908 HydrophobicContact CD1-CZ 4.03Å; L887-T930 HydrophobicContact CD2-CG2 4.42Å; L887-L931 HydrophobicContact CD1-CB 4.29Å; L887-L931 HydrophobicContact CD1-CD1 4.38Å; L887-L931 HydrophobicContact CD1-CG 4.12Å
888	L	96	Very high	95.2	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-68.8	-45.2	176.6	-162.8	61.8	0	0	0	111.3	V872 L884 T885 E886 G891 F893 M1003 A1006 I1010 L1015 F1019	V872-L888 HydrophobicContact CG1-CD2 3.81Å; L884-L888 WeakPolarHBondContact O-CB 3.28Å; L884-L888 PolarHBondContact O-N 2.8Å; T885-L888 WeakPolarHBondContact O-CB 3.44Å; T885-L888 PolarHBondContact O-N 3.39Å; T885-L888 VanDerWaalsContact O-N 3.12Å; E886-L888 VanDerWaalsContact C-N 3.26Å; E886-L888 PolarHBondContact O-N 3.24Å; L888-G891 PolarHBondContact O-N 3.49Å; L888-F893 HydrophobicContact CB-CD2 4.4Å; L888-F893 HydrophobicContact CB-CE2 4.42Å; L888-F893 HydrophobicContact CD1-CD2 3.76Å; L888-F893 HydrophobicContact CD1-CE2 4.33Å; L888-M1003 HydrophobicContact CD1-CE 4.1Å; L888-M1003 HydrophobicContact CD2-CE 4.32Å; L888-A1006 HydrophobicContact CD2-CB 4.25Å; L888-I1010 HydrophobicContact CB-CD1 4.5Å; L888-I1010 HydrophobicContact CD2-CD1 3.26Å; L888-I1010 HydrophobicContact CD2-CG1 4.44Å; L888-I1010 HydrophobicContact CG-CD1 3.53Å; L888-L1015 HydrophobicContact CD1-CD1 3.71Å; L888-F1019 HydrophobicContact CD1-CE2 4.07Å; L888-F1019 HydrophobicContact CD1-CZ 4Å
889	F	95.7	Very high	95.7	Very high	77 Å²	77	32.5 Å²	32.5	34%	0.338	16%	0.16	S	C	.	.	H	α-helix	trans	-74.8	-29.8	178.8	-81.4	-94.1	0	0	0	113.3	L868 K869 V872 T885 E886 G891 I1010	L868-F889 HydrophobicContact CD2-CE1 4.29Å; L868-F889 HydrophobicContact CD2-CZ 4.24Å; L868-F889 HydrophobicContact CG-CZ 4.12Å; K869-F889 HydrophobicContact CB-CE2 4.3Å; K869-F889 HydrophobicContact CB-CZ 4.45Å; K869-F889 HydrophobicContact CG-CD1 4.23Å; K869-F889 HydrophobicContact CG-CD2 3.85Å; K869-F889 HydrophobicContact CG-CE1 4.01Å; K869-F889 HydrophobicContact CG-CE2 3.62Å; K869-F889 HydrophobicContact CG-CG 4.15Å; K869-F889 HydrophobicContact CG-CZ 3.7Å; V872-F889 HydrophobicContact CB-CE2 4.31Å; V872-F889 HydrophobicContact CG1-CE2 4.28Å; V872-F889 HydrophobicContact CG2-CE2 4.17Å; V872-F889 HydrophobicContact CG2-CZ 4.29Å; T885-F889 HydrophobicContact CG2-CD2 3.76Å; T885-F889 HydrophobicContact CG2-CE2 3.76Å; T885-F889 VanDerWaalsContact O-CD2 3.31Å; T885-F889 WeakPolarHBondContact O-CD2 3.31Å; T885-F889 PolarHBondContact O-N 3Å; E886-F889 PolarHBondContact O-N 3.1Å; F889-G891 PolarHBondContact O-N 3.38Å; F889-I1010 HydrophobicContact CD2-CD1 4.39Å; F889-I1010 HydrophobicContact CE2-CD1 3.88Å; F889-I1010 HydrophobicContact CE2-CG1 4.35Å; F889-I1010 HydrophobicContact CZ-CD1 4.14Å; F889-I1010 HydrophobicContact CZ-CG1 4.24Å
890	D	94.6	Very high	95.9	Very high	86 Å²	86	32.4 Å²	32.4	46%	0.46	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8	170.6	-77.9	-16	0	0	0	112.7	E886 V892	E886-D890 WeakPolarHBondContact O-CB 3.19Å; E886-D890 PolarHBondContact O-N 3.11Å; D890-V892 VanDerWaalsContact C-N 3.33Å; D890-V892 HydrophobicContact CB-CG2 4.12Å; D890-V892 PolarHBondContact O-N 2.99Å
891	G	94.5	Very high	96	Very high	11 Å²	11	30.7 Å²	30.7	11%	0.113	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	25.6	176.5	0	0	0	0	0	113.7	L887 L888 F889 N894	L887-G891 PolarHBondContact O-N 3.26Å; L888-G891 PolarHBondContact O-N 3.49Å; F889-G891 PolarHBondContact O-N 3.38Å; G891-N894 WeakPolarHBondContact O-CB 3.49Å; G891-N894 PolarHBondContact O-N 2.94Å
892	V	95.1	Very high	96.1	Very high	17 Å²	17	29.6 Å²	29.6	10%	0.103	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-49.8	179.3	178.7	0	0	0	0	110.3	L887 D890 N894 R895 L896 L904 T930	L887-V892 HydrophobicContact CB-CG2 4.44Å; L887-V892 HydrophobicContact CD2-CG2 3.89Å; L887-V892 WeakPolarHBondContact O-CB 3.42Å; L887-V892 PolarHBondContact O-N 2.86Å; L887-V892 VanDerWaalsContact O-N 3.14Å; D890-V892 VanDerWaalsContact C-N 3.33Å; D890-V892 HydrophobicContact CB-CG2 4.12Å; D890-V892 PolarHBondContact O-N 2.99Å; V892-N894 PolarHBondContact O-N 3.42Å; V892-R895 PolarHBondContact O-N 3.1Å; V892-L896 HydrophobicContact CG1-CD1 4.26Å; V892-L904 HydrophobicContact CG1-CD2 4.31Å; V892-T930 HydrophobicContact CG2-CG2 3.8Å
893	F	96.2	Very high	96.1	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-20.5	-179.4	-54.4	-70.5	0	0	0	113.7	L884 L887 L888 R895 L896 I901 L904 L905 M1003 L1015 K1018 F1019	L884-F893 HydrophobicContact CD2-CZ 4.28Å; L887-F893 HydrophobicContact CB-CE2 3.68Å; L887-F893 HydrophobicContact CB-CZ 4.06Å; L887-F893 HydrophobicContact CD1-CZ 4.44Å; L888-F893 HydrophobicContact CB-CD2 4.4Å; L888-F893 HydrophobicContact CB-CE2 4.42Å; L888-F893 HydrophobicContact CD1-CD2 3.76Å; L888-F893 HydrophobicContact CD1-CE2 4.33Å; F893-R895 PolarHBondContact O-N 3.37Å; F893-L896 PolarHBondContact O-N 2.86Å; F893-I901 HydrophobicContact CB-CD1 4.31Å; F893-I901 HydrophobicContact CB-CG1 4.4Å; F893-I901 HydrophobicContact CD1-CG1 4.12Å; F893-I901 HydrophobicContact CD1-CG2 4.15Å; F893-L904 HydrophobicContact CE1-CD2 3.98Å; F893-L905 HydrophobicContact CE1-CD2 3.93Å; F893-L905 HydrophobicContact CE1-CG 4.17Å; F893-L905 HydrophobicContact CZ-CD2 3.93Å; F893-M1003 HydrophobicContact CD2-CE 4.39Å; F893-M1003 HydrophobicContact CE2-CE 3.83Å; F893-M1003 HydrophobicContact CZ-CE 4.16Å; F893-L1015 HydrophobicContact CB-CD2 3.77Å; F893-K1018 PolarHBondContact O-NZ 2.96Å; F893-F1019 HydrophobicContact CB-CZ 4.24Å; F893-F1019 HydrophobicContact CD1-CE1 4.41Å; F893-F1019 HydrophobicContact CD2-CZ 4.28Å; F893-F1019 HydrophobicContact CG-CE1 4.41Å; F893-F1019 HydrophobicContact CG-CZ 4.13Å
894	N	93.6	Very high	96.1	Very high	87 Å²	87	29.5 Å²	29.5	47%	0.465	14%	0.142	S	C	.	.	H	α-helix	trans	-63.4	-31.9	176.9	-69.1	-9.1	0	0	0	111.9	G891 V892 L1015 K1018	G891-N894 WeakPolarHBondContact O-CB 3.49Å; G891-N894 PolarHBondContact O-N 2.94Å; V892-N894 PolarHBondContact O-N 3.42Å; N894-L1015 VanDerWaalsContact OD1-CD1 3.31Å; N894-L1015 WeakPolarHBondContact OD1-CD1 3.21Å; N894-L1015 WeakPolarHBondContact OD1-CD2 3.47Å; N894-L1015 VanDerWaalsContact OD1-CG 3.22Å; N894-L1015 WeakPolarHBondContact OD1-CG 3.21Å; N894-K1018 PolarHBondContact O-NZ 2.88Å
895	R	92.1	Very high	96.1	Very high	218 Å²	218	29.5 Å²	29.5	82%	0.823	14%	0.142	S	C	*	.	H	α-helix	trans	-89.7	-19.8	-175.4	-57.8	179.2	-173.5	177.1	3.9	113.4	V892 F893	V892-R895 PolarHBondContact O-N 3.1Å; F893-R895 PolarHBondContact O-N 3.37Å
896	L	95.4	Very high	96	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	14%	0.142	C	C	.	.	S	Bend	trans	-87.3	151.6	-176.4	-62	177.5	0	0	0	112.1	V892 F893 H900 I901 L904 A927 K1018	V892-L896 HydrophobicContact CG1-CD1 4.26Å; F893-L896 PolarHBondContact O-N 2.86Å; L896-H900 HydrophobicContact CB-CB 4.11Å; L896-H900 HydrophobicContact CD2-CB 4.2Å; L896-I901 HydrophobicContact CB-CG1 3.76Å; L896-L904 HydrophobicContact CD1-CD2 3.93Å; L896-A927 HydrophobicContact CD1-CB 4.02Å; L896-A927 HydrophobicContact CD2-CB 4.14Å; L896-K1018 PolarHBondContact O-NZ 3.44Å
897	S	95.7	Very high	96	Very high	39 Å²	39	28.7 Å²	28.7	27%	0.273	14%	0.138	S	C	.	.			trans	-74.8	165	167.4	79.1	0	0	0	0	110.7	E899 H900 I901	S897-E899 VanDerWaalsContact C-N 3.26Å; S897-E899 WeakPolarHBondContact CB-OE2 3.49Å; S897-E899 PolarHBondContact O-N 3.31Å; S897-E899 PolarHBondContact OG-OE2 2.81Å; S897-H900 PolarHBondContact O-N 3.08Å; S897-H900 PolarHBondContact OG-N 2.96Å; S897-I901 WeakPolarHBondContact O-CG1 3.36Å; S897-I901 PolarHBondContact O-N 3.22Å
898	S	96.5	Very high	95.9	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-33.5	178.2	36.3	0	0	0	0	112.8	A902 E1021 K1025	S898-A902 PolarHBondContact O-N 2.99Å; S898-A902 VanDerWaalsContact O-N 3.08Å; S898-E1021 WeakPolarHBondContact CB-OE2 3.42Å; S898-E1021 PolarHBondContact OG-OE1 3.47Å; S898-E1021 PolarHBondContact OG-OE2 3.43Å; S898-K1025 PolarHBondContact OG-NZ 3.11Å
899	E	96.8	Very high	95.8	Very high	31 Å²	31	29.9 Å²	29.9	15%	0.145	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-48.8	172.3	-56.5	84.6	175.8	0	0	111.5	S897 I901 A902 A903 T970 R971 K1025	S897-E899 VanDerWaalsContact C-N 3.26Å; S897-E899 WeakPolarHBondContact CB-OE2 3.49Å; S897-E899 PolarHBondContact O-N 3.31Å; S897-E899 PolarHBondContact OG-OE2 2.81Å; E899-I901 VanDerWaalsContact C-N 3.3Å; E899-I901 PolarHBondContact O-N 3.3Å; E899-A902 PolarHBondContact O-N 3.34Å; E899-A903 WeakPolarHBondContact O-CB 3.42Å; E899-A903 PolarHBondContact O-N 2.88Å; E899-T970 WeakPolarHBondContact CA-OG1 3.31Å; E899-T970 VanDerWaalsContact CB-OG1 3.28Å; E899-T970 WeakPolarHBondContact CB-OG1 3.36Å; E899-R971 HydrophobicContact CG-CG 4.12Å; E899-K1025 VanDerWaalsContact CD-NZ 3.3Å; E899-K1025 HydrophobicContact CG-CD 4.2Å; E899-K1025 IonicContact OE1-NZ 3.5Å; E899-K1025 PolarHBondContact OE1-NZ 3.31Å; E899-K1025 IonicContact OE2-NZ 3.47Å
900	H	96.9	Very high	95.7	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-67.6	-31.4	179.4	-68.8	165	0	0	0	112.6	L896 S897 L904 E923 L924 D967 R971	L896-H900 HydrophobicContact CB-CB 4.11Å; L896-H900 HydrophobicContact CD2-CB 4.2Å; S897-H900 PolarHBondContact O-N 3.08Å; S897-H900 PolarHBondContact OG-N 2.96Å; H900-L904 WeakPolarHBondContact O-CB 3.33Å; H900-L904 PolarHBondContact O-N 3.12Å; H900-E923 IonicContact CE1-OE2 2.84Å; H900-E923 PolarHBondContact CE1-OE2 3.25Å; H900-E923 IonicContact ND1-OE2 3.39Å; H900-E923 PolarHBondContact ND1-OE2 2.61Å; H900-L924 HydrophobicContact CB-CD2 3.74Å; H900-D967 IonicContact CD2-OD1 3.3Å; H900-D967 PolarHBondContact CD2-OD1 2.97Å; H900-D967 VanDerWaalsContact CD2-OD1 3.25Å; H900-D967 IonicContact NE2-OD1 3.67Å; H900-R971 PolarHBondContact NE2-NH2 3.01Å; H900-R971 VanDerWaalsContact NE2-NH2 3.14Å
901	I	97.5	Very high	95.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-51	172.7	-71.1	169.1	0	0	0	110.1	F893 L896 S897 E899 A903 L904 L905 L1000 K1018 F1019	F893-I901 HydrophobicContact CB-CD1 4.31Å; F893-I901 HydrophobicContact CB-CG1 4.4Å; F893-I901 HydrophobicContact CD1-CG1 4.12Å; F893-I901 HydrophobicContact CD1-CG2 4.15Å; L896-I901 HydrophobicContact CB-CG1 3.76Å; S897-I901 WeakPolarHBondContact O-CG1 3.36Å; S897-I901 PolarHBondContact O-N 3.22Å; E899-I901 VanDerWaalsContact C-N 3.3Å; E899-I901 PolarHBondContact O-N 3.3Å; I901-A903 VanDerWaalsContact C-N 3.32Å; I901-A903 PolarHBondContact O-N 3.34Å; I901-L904 PolarHBondContact O-N 3.38Å; I901-L905 HydrophobicContact CG2-CD1 3.83Å; I901-L905 HydrophobicContact CG2-CG 4.41Å; I901-L905 WeakPolarHBondContact O-CB 3.26Å; I901-L905 WeakPolarHBondContact O-CG 3.34Å; I901-L905 PolarHBondContact O-N 3.48Å; I901-L1000 HydrophobicContact CG2-CD2 4.22Å; I901-K1018 HydrophobicContact CD1-CB 3.91Å; I901-K1018 HydrophobicContact CD1-CD 3.82Å; I901-F1019 HydrophobicContact CG2-CD1 3.73Å; I901-F1019 HydrophobicContact CG2-CE1 3.53Å
902	A	97.3	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-45.9	177	0	0	0	0	0	111.6	S898 E899 L905 S906 V966 T970 A1022 I1026	S898-A902 PolarHBondContact O-N 2.99Å; S898-A902 VanDerWaalsContact O-N 3.08Å; E899-A902 PolarHBondContact O-N 3.34Å; A902-L905 PolarHBondContact O-N 2.73Å; A902-S906 PolarHBondContact O-N 3.5Å; A902-S906 VanDerWaalsContact O-N 3.07Å; A902-V966 HydrophobicContact CB-CG1 3.87Å; A902-T970 HydrophobicContact CB-CG2 3.76Å; A902-A1022 HydrophobicContact CB-CB 4.39Å; A902-I1026 HydrophobicContact CB-CD1 3.86Å; A902-I1026 HydrophobicContact CB-CG1 4.38Å
903	A	96.9	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-49.7	176.7	0	0	0	0	0	111.6	E899 I901 L905 S906 L924 M963 D967	E899-A903 WeakPolarHBondContact O-CB 3.42Å; E899-A903 PolarHBondContact O-N 2.88Å; I901-A903 VanDerWaalsContact C-N 3.32Å; I901-A903 PolarHBondContact O-N 3.34Å; A903-L905 PolarHBondContact O-N 2.88Å; A903-S906 WeakPolarHBondContact O-CB 3.35Å; A903-S906 PolarHBondContact O-N 3.22Å; A903-S906 PolarHBondContact O-OG 2.93Å; A903-L924 HydrophobicContact CB-CD1 4.25Å; A903-L924 HydrophobicContact CB-CD2 3.86Å; A903-M963 VanDerWaalsContact CB-O 3.27Å; A903-M963 WeakPolarHBondContact CB-O 3.39Å; A903-M963 WeakPolarHBondContact O-CG 3.41Å; A903-D967 HydrophobicContact CB-CB 4.13Å
904	L	97.3	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-44.7	178.6	-174.7	67.4	0	0	0	112.4	V892 F893 L896 H900 I901 S906 C907 A927 L931 M963	V892-L904 HydrophobicContact CG1-CD2 4.31Å; F893-L904 HydrophobicContact CE1-CD2 3.98Å; L896-L904 HydrophobicContact CD1-CD2 3.93Å; H900-L904 WeakPolarHBondContact O-CB 3.33Å; H900-L904 PolarHBondContact O-N 3.12Å; I901-L904 PolarHBondContact O-N 3.38Å; L904-S906 PolarHBondContact O-N 2.88Å; L904-C907 WeakPolarHBondContact O-CB 3.36Å; L904-C907 PolarHBondContact O-N 3.42Å; L904-C907 VanDerWaalsContact O-N 3.14Å; L904-C907 PolarHBondContact O-SG 3.34Å; L904-A927 HydrophobicContact CD1-CB 4.14Å; L904-A927 HydrophobicContact CD2-CB 4.14Å; L904-L931 HydrophobicContact CD1-CB 4.36Å; L904-L931 HydrophobicContact CD1-CD1 3.79Å; L904-L931 HydrophobicContact CG-CD1 4.17Å; L904-M963 HydrophobicContact CD1-CE 4.2Å
905	L	97.8	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-21.7	-179.4	-72.1	176.9	0	0	0	113	L884 F893 I901 A902 A903 C907 F908 L996 L999 L1000 M1003 F1019	L884-L905 HydrophobicContact CD2-CD2 3.33Å; F893-L905 HydrophobicContact CE1-CD2 3.93Å; F893-L905 HydrophobicContact CE1-CG 4.17Å; F893-L905 HydrophobicContact CZ-CD2 3.93Å; I901-L905 HydrophobicContact CG2-CD1 3.83Å; I901-L905 HydrophobicContact CG2-CG 4.41Å; I901-L905 WeakPolarHBondContact O-CB 3.26Å; I901-L905 WeakPolarHBondContact O-CG 3.34Å; I901-L905 PolarHBondContact O-N 3.48Å; A902-L905 PolarHBondContact O-N 2.73Å; A903-L905 PolarHBondContact O-N 2.88Å; L905-C907 PolarHBondContact O-N 3.19Å; L905-C907 VanDerWaalsContact O-N 3.11Å; L905-F908 HydrophobicContact CD2-CD2 4.26Å; L905-F908 HydrophobicContact CD2-CE2 4.36Å; L905-F908 PolarHBondContact O-N 3.25Å; L905-L996 HydrophobicContact CB-CD1 3.52Å; L905-L999 HydrophobicContact CB-CD2 4.31Å; L905-L999 HydrophobicContact CD2-CD2 4.32Å; L905-L1000 HydrophobicContact CD1-CD2 3.46Å; L905-L1000 VanDerWaalsContact CD1-CD2 3.46Å; L905-L1000 HydrophobicContact CD1-CG 4.12Å; L905-M1003 HydrophobicContact CD1-CG 4.16Å; L905-F1019 HydrophobicContact CD1-CE1 4.24Å
906	S	96.3	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-57.8	-24.2	172.9	78.5	0	0	0	0	113.3	A902 A903 L904 F908 V909 F910	A902-S906 PolarHBondContact O-N 3.5Å; A902-S906 VanDerWaalsContact O-N 3.07Å; A903-S906 WeakPolarHBondContact O-CB 3.35Å; A903-S906 PolarHBondContact O-N 3.22Å; A903-S906 PolarHBondContact O-OG 2.93Å; L904-S906 PolarHBondContact O-N 2.88Å; S906-F908 PolarHBondContact O-N 3.05Å; S906-V909 WeakPolarHBondContact O-CG2 3.25Å; S906-V909 PolarHBondContact O-N 3.39Å; S906-F910 PolarHBondContact O-N 2.87Å
907	C	96.2	Very high	90.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63.7	-23.3	176.9	-56.9	0	0	0	0	113.5	L904 L905 L931 F958 K959	L904-C907 WeakPolarHBondContact O-CB 3.36Å; L904-C907 PolarHBondContact O-N 3.42Å; L904-C907 VanDerWaalsContact O-N 3.14Å; L904-C907 PolarHBondContact O-SG 3.34Å; L905-C907 PolarHBondContact O-N 3.19Å; L905-C907 VanDerWaalsContact O-N 3.11Å; C907-L931 HydrophobicContact CB-CD1 4.3Å; C907-F958 HydrophobicContact CB-CB 4.39Å; C907-F958 CarbonylContact O-C 3.53Å; C907-F958 WeakPolarHBondContact O-CA 3.35Å; C907-K959 WeakPolarHBondContact CA-O 3.44Å; C907-K959 PolarHBondContact O-N 2.85Å; C907-K959 VanDerWaalsContact O-N 3.13Å
908	F	96.4	Very high	90.4	Very high	23 Å²	23	40.6 Å²	40.6	10%	0.101	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-89.8	-17.9	-176.8	-68.8	-95.1	0	0	0	113.6	A879 D880 L883 L884 L887 L905 S906 L931 F958 L999	A879-F908 HydrophobicContact CB-CB 3.9Å; A879-F908 HydrophobicContact CB-CD1 4.3Å; A879-F908 HydrophobicContact CB-CG 4.44Å; D880-F908 HydrophobicContact CB-CD1 4.27Å; D880-F908 HydrophobicContact CB-CE1 4.27Å; L883-F908 HydrophobicContact CB-CE1 4.18Å; L883-F908 HydrophobicContact CD2-CE1 3.68Å; L883-F908 HydrophobicContact CD2-CZ 3.77Å; L883-F908 HydrophobicContact CG-CE1 3.94Å; L883-F908 HydrophobicContact CG-CZ 3.92Å; L884-F908 HydrophobicContact CD1-CD1 4.12Å; L884-F908 HydrophobicContact CD1-CE1 4.29Å; L884-F908 HydrophobicContact CD1-CG 4.44Å; L884-F908 HydrophobicContact CD2-CD1 4.13Å; L884-F908 HydrophobicContact CD2-CD2 3.92Å; L884-F908 HydrophobicContact CD2-CE1 3.77Å; L884-F908 HydrophobicContact CD2-CE2 3.53Å; L884-F908 HydrophobicContact CD2-CG 4.2Å; L884-F908 HydrophobicContact CD2-CZ 3.45Å; L884-F908 VanDerWaalsContact CD2-CZ 3.45Å; L884-F908 HydrophobicContact CG-CD1 3.93Å; L884-F908 HydrophobicContact CG-CE1 3.6Å; L884-F908 HydrophobicContact CG-CE2 4.31Å; L884-F908 HydrophobicContact CG-CG 4.42Å; L884-F908 HydrophobicContact CG-CZ 3.82Å; L887-F908 HydrophobicContact CD1-CZ 4.03Å; L905-F908 HydrophobicContact CD2-CD2 4.26Å; L905-F908 HydrophobicContact CD2-CE2 4.36Å; L905-F908 PolarHBondContact O-N 3.25Å; S906-F908 PolarHBondContact O-N 3.05Å; F908-L931 HydrophobicContact CD2-CD1 4.41Å; F908-L931 HydrophobicContact CE2-CD1 3.44Å; F908-L931 VanDerWaalsContact CE2-CD1 3.44Å; F908-L931 HydrophobicContact CE2-CG 4.37Å; F908-L931 HydrophobicContact CZ-CD1 3.76Å; F908-L931 HydrophobicContact CZ-CG 4.21Å; F908-F958 AromaticContact CD1-CD1 3.74Å; F908-F958 HydrophobicContact CD1-CD1 3.74Å; F908-F958 AromaticContact CD1-CE1 3.63Å; F908-F958 HydrophobicContact CD1-CE1 3.63Å; F908-F958 AromaticContact CE1-CD1 3.8Å; F908-F958 HydrophobicContact CE1-CD1 3.8Å; F908-F958 AromaticContact CE1-CE1 3.59Å; F908-F958 HydrophobicContact CE1-CE1 3.59Å; F908-F958 HydrophobicContact CE1-CZ 4.5Å; F908-F958 HydrophobicContact CG-CD1 4.32Å; F908-F958 HydrophobicContact CZ-CD1 4.42Å; F908-L999 HydrophobicContact CB-CD2 3.91Å
909	V	93.6	Very high	89.9	Confident	9 Å²	9	49.5 Å²	49.5	6%	0.055	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-11.8	-172.8	-65.8	0	0	0	0	113.1	S906 T992 L995 L996 L999	S906-V909 WeakPolarHBondContact O-CG2 3.25Å; S906-V909 PolarHBondContact O-N 3.39Å; V909-T992 HydrophobicContact CB-CG2 4.45Å; V909-T992 HydrophobicContact CG2-CG2 3.61Å; V909-L995 HydrophobicContact CB-CB 3.97Å; V909-L995 HydrophobicContact CG1-CB 4.02Å; V909-L996 HydrophobicContact CG2-CB 4.09Å; V909-L996 HydrophobicContact CG2-CD1 4.45Å; V909-L999 HydrophobicContact CG1-CB 4.29Å; V909-L999 HydrophobicContact CG1-CD2 3.87Å
910	F	92.3	Very high	89.5	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	24%	0.241	C	C	.	.			trans	-91.9	114.3	-179.3	-179.4	-115.8	0	0	0	111.7	S906 E912 A914 K959 H961 L962 L984 T988 T992	S906-F910 PolarHBondContact O-N 2.87Å; F910-E912 WeakPolarHBondContact CE1-O 3.42Å; F910-E912 HydrophobicContact CE2-CB 3.81Å; F910-E912 HydrophobicContact CZ-CB 3.9Å; F910-E912 WeakPolarHBondContact CZ-O 3.27Å; F910-A914 HydrophobicContact CE1-CB 4.21Å; F910-A914 HydrophobicContact CZ-CB 4.09Å; F910-K959 HydrophobicContact CD1-CB 3.67Å; F910-K959 HydrophobicContact CD1-CD 4.04Å; F910-K959 HydrophobicContact CE1-CB 4.35Å; F910-K959 HydrophobicContact CE1-CD 4.2Å; F910-H961 HydrophobicContact CD1-CB 4.25Å; F910-H961 HydrophobicContact CE1-CB 3.82Å; F910-L962 HydrophobicContact CB-CD1 3.99Å; F910-L962 HydrophobicContact CB-CG 4.5Å; F910-L962 HydrophobicContact CD1-CD1 4.44Å; F910-L962 HydrophobicContact CD1-CG 4.31Å; F910-L962 HydrophobicContact CD2-CD1 3.26Å; F910-L962 HydrophobicContact CD2-CG 3.92Å; F910-L962 HydrophobicContact CE2-CD1 3.81Å; F910-L962 HydrophobicContact CE2-CG 4.21Å; F910-L962 HydrophobicContact CG-CD1 3.63Å; F910-L962 HydrophobicContact CG-CG 3.97Å; F910-L984 HydrophobicContact CE2-CD1 3.64Å; F910-L984 HydrophobicContact CE2-CD2 4.38Å; F910-L984 HydrophobicContact CZ-CD1 3.71Å; F910-L984 HydrophobicContact CZ-CD2 4.19Å; F910-T988 HydrophobicContact CE2-CG2 4.28Å; F910-T992 HydrophobicContact CB-CG2 4.21Å
911	E	84.8	Confident	89.2	Confident	141 Å²	141	52.4 Å²	52.4	66%	0.659	26%	0.255	S	S	*	.			trans	-109.1	-15.5	-174.7	-67.4	173.2	-175.7	0	0	114.4	K959	E911-K959 VanDerWaalsContact C-NZ 3.35Å; E911-K959 PolarHBondContact O-NZ 3.01Å
912	E	84.1	Confident	88.9	Confident	57 Å²	57	60.2 Å²	60.2	27%	0.266	29%	0.289	S	S	.	.	S	Bend	trans	-77.4	168.1	-176.1	-62.2	-164.6	-146.2	0	0	111.9	K377 F910 K959 T988	K377-E912 IonicContact NZ-OE1 2.66Å; K377-E912 PolarHBondContact NZ-OE1 2.97Å; K377-E912 IonicContact NZ-OE2 3.24Å; K377-E912 PolarHBondContact NZ-OE2 3.26Å; F910-E912 WeakPolarHBondContact CE1-O 3.42Å; F910-E912 HydrophobicContact CE2-CB 3.81Å; F910-E912 HydrophobicContact CZ-CB 3.9Å; F910-E912 WeakPolarHBondContact CZ-O 3.27Å; E912-K959 VanDerWaalsContact O-CD 3.3Å; E912-K959 WeakPolarHBondContact O-CD 3.41Å; E912-K959 PolarHBondContact O-NZ 3.4Å; E912-T988 HydrophobicContact CG-CG2 4.14Å; E912-T988 WeakPolarHBondContact OE1-CG2 3.48Å; E912-T988 PolarHBondContact OE1-OG1 3.45Å
913	R	79.3	Confident	88.6	Confident	196 Å²	196	65.5 Å²	65.5	74%	0.74	31%	0.314	S	S	*	.			trans	-89.5	129.6	171.4	-67.1	-176.8	-177.8	171.7	2.6	108
914	A	79.4	Confident	88.4	Confident	16 Å²	16	65.6 Å²	65.6	13%	0.132	32%	0.315	C	S	.	.			trans	-120.3	144.3	169.4	0	0	0	0	0	108.4	F910 H961 L984	F910-A914 HydrophobicContact CE1-CB 4.21Å; F910-A914 HydrophobicContact CZ-CB 4.09Å; A914-H961 HydrophobicContact CB-CB 3.76Å; A914-H961 PolarHBondContact O-CD2 3.46Å; A914-H961 PolarHBondContact O-NE2 2.94Å; A914-L984 HydrophobicContact CB-CD1 4.48Å; A914-L984 HydrophobicContact CB-CD2 4.43Å
915	S	75.5	Confident	88.3	Confident	92 Å²	92	67.9 Å²	67.9	64%	0.643	33%	0.331	S	S	*	.	S	Bend	trans	-85.8	-22	179.3	44.6	0	0	0	0	113.6	D983	S915-D983 PolarHBondContact OG-OD2 3.01Å
916	E	75.9	Confident	88.1	Confident	108 Å²	108	71.9 Å²	71.9	51%	0.505	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-96.5	126.9	-171.5	-59.7	-165.4	170.4	0	0	111.5	H961	E916-H961 PolarHBondContact O-CD2 3.12Å
917	M	83	Confident	88	Confident	140 Å²	140	72.2 Å²	72.2	69%	0.69	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-81.5	139	174.3	-74.9	-73.5	162.5	0	0	110.3
918	P	84.6	Confident	88	Confident	21 Å²	21	73 Å²	73	14%	0.136	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-72.1	148.9	-174.1	33	-39.6	0	0	0	111.9	L920 P960 D964	P918-L920 HydrophobicContact CB-CD2 3.82Å; P918-L920 HydrophobicContact CB-CG 4.18Å; P918-L920 HydrophobicContact CG-CD1 4.17Å; P918-L920 HydrophobicContact CG-CD2 3.86Å; P918-L920 HydrophobicContact CG-CG 3.89Å; P918-L920 PolarHBondContact O-N 3.3Å; P918-P960 HydrophobicContact CG-CB 4.3Å; P918-P960 WeakPolarHBondContact CG-O 3.44Å; P918-D964 VanDerWaalsContact CA-OD2 3.32Å; P918-D964 WeakPolarHBondContact CA-OD2 3.27Å; P918-D964 HydrophobicContact CB-CB 4.01Å; P918-D964 VanDerWaalsContact CB-CG 3.42Å; P918-D964 WeakPolarHBondContact CB-OD1 3.44Å
919	K	86	Confident	88	Confident	191 Å²	191	79.6 Å²	79.6	83%	0.83	38%	0.383	S	S	*	.			trans	-87.2	86.5	172.3	-69.4	177.3	-173.5	165.8	0	110.5	D964	K919-D964 PolarHBondContact N-OD2 3.4Å
920	L	89.1	Confident	88.1	Confident	43 Å²	43	81.8 Å²	81.8	23%	0.225	40%	0.396	C	S	.	.			trans	-81.7	143.4	-174.8	-57.4	179.6	0	0	0	113.2	P918 L924 S925 L928 M963	P918-L920 HydrophobicContact CB-CD2 3.82Å; P918-L920 HydrophobicContact CB-CG 4.18Å; P918-L920 HydrophobicContact CG-CD1 4.17Å; P918-L920 HydrophobicContact CG-CD2 3.86Å; P918-L920 HydrophobicContact CG-CG 3.89Å; P918-L920 PolarHBondContact O-N 3.3Å; L920-L924 HydrophobicContact CB-CB 4.23Å; L920-L924 HydrophobicContact CD2-CB 4.3Å; L920-L924 HydrophobicContact CD2-CD1 4.34Å; L920-S925 WeakPolarHBondContact CB-OG 3.45Å; L920-L928 HydrophobicContact CD1-CD2 3.72Å; L920-M963 HydrophobicContact CD1-CE 4.31Å; L920-M963 HydrophobicContact CD1-SD 4.06Å; L920-M963 HydrophobicContact CD2-CB 3.57Å; L920-M963 HydrophobicContact CD2-CE 4.08Å; L920-M963 HydrophobicContact CD2-CG 4.43Å; L920-M963 HydrophobicContact CD2-SD 4.05Å
921	T	89.9	Confident	88.4	Confident	60 Å²	60	81.6 Å²	81.6	37%	0.368	40%	0.396	S	S	.	.			trans	-67.8	163.6	164.2	65.3	0	0	0	0	110.1	E923 L924 S925	T921-E923 VanDerWaalsContact C-N 3.29Å; T921-E923 PolarHBondContact O-N 3.06Å; T921-L924 PolarHBondContact O-N 3.02Å; T921-L924 WeakPolarHBondContact OG1-CG 3.24Å; T921-L924 PolarHBondContact OG1-N 2.95Å; T921-S925 WeakPolarHBondContact O-CB 3.23Å; T921-S925 PolarHBondContact O-N 3.05Å; T921-S925 PolarHBondContact O-OG 3.34Å
922	K	91.3	Very high	89	Confident	164 Å²	164	77.6 Å²	77.6	71%	0.713	38%	0.377	S	S	*	.	H	α-helix	trans	-58	-42.6	176.9	-173.8	-179.7	176.1	-175	0	111.9	S925 D926	K922-S925 PolarHBondContact O-N 2.86Å; K922-D926 VanDerWaalsContact O-CG 3.31Å; K922-D926 PolarHBondContact O-N 3.06Å
923	E	91.1	Very high	89.6	Confident	112 Å²	112	78.2 Å²	78.2	52%	0.523	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-44.9	179	-65.9	-179.3	-172	0	0	112.5	H900 T921 S925 D926 A927	H900-E923 IonicContact CE1-OE2 2.84Å; H900-E923 PolarHBondContact CE1-OE2 3.25Å; H900-E923 IonicContact ND1-OE2 3.39Å; H900-E923 PolarHBondContact ND1-OE2 2.61Å; T921-E923 VanDerWaalsContact C-N 3.29Å; T921-E923 PolarHBondContact O-N 3.06Å; E923-S925 VanDerWaalsContact C-N 3.35Å; E923-D926 PolarHBondContact O-N 3.03Å; E923-A927 WeakPolarHBondContact O-CB 3.34Å; E923-A927 PolarHBondContact O-N 2.88Å
924	L	92.7	Very high	90.4	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-37.2	176.2	-74.8	177	0	0	0	112.2	H900 A903 L920 T921 A927 L928 M963 D967	H900-L924 HydrophobicContact CB-CD2 3.74Å; A903-L924 HydrophobicContact CB-CD1 4.25Å; A903-L924 HydrophobicContact CB-CD2 3.86Å; L920-L924 HydrophobicContact CB-CB 4.23Å; L920-L924 HydrophobicContact CD2-CB 4.3Å; L920-L924 HydrophobicContact CD2-CD1 4.34Å; T921-L924 PolarHBondContact O-N 3.02Å; T921-L924 WeakPolarHBondContact OG1-CG 3.24Å; T921-L924 PolarHBondContact OG1-N 2.95Å; L924-A927 PolarHBondContact O-N 2.86Å; L924-L928 WeakPolarHBondContact O-CB 3.02Å; L924-L928 PolarHBondContact O-N 3.38Å; L924-M963 HydrophobicContact CB-CE 4.09Å; L924-M963 HydrophobicContact CD2-CE 4.03Å; L924-D967 HydrophobicContact CD1-CB 4.31Å
925	S	94.3	Very high	91.3	Very high	48 Å²	48	68.4 Å²	68.4	34%	0.336	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-43.3	176.3	-56.7	0	0	0	0	111.5	L920 T921 K922 E923 L928 R929	L920-S925 WeakPolarHBondContact CB-OG 3.45Å; T921-S925 WeakPolarHBondContact O-CB 3.23Å; T921-S925 PolarHBondContact O-N 3.05Å; T921-S925 PolarHBondContact O-OG 3.34Å; K922-S925 PolarHBondContact O-N 2.86Å; E923-S925 VanDerWaalsContact C-N 3.35Å; S925-L928 PolarHBondContact O-N 3.36Å; S925-R929 WeakPolarHBondContact O-CB 3.4Å; S925-R929 PolarHBondContact O-N 2.69Å
926	D	94.7	Very high	92.4	Very high	84 Å²	84	67.4 Å²	67.4	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-38.6	177.1	-70.6	-21.7	0	0	0	111.2	K922 E923 T930	K922-D926 VanDerWaalsContact O-CG 3.31Å; K922-D926 PolarHBondContact O-N 3.06Å; E923-D926 PolarHBondContact O-N 3.03Å; D926-T930 PolarHBondContact O-N 2.98Å; D926-T930 PolarHBondContact O-OG1 3.04Å
927	A	94.6	Very high	93.4	Very high	6 Å²	6	68.9 Å²	68.9	5%	0.05	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-45	175.6	0	0	0	0	0	112.6	L896 L904 E923 L924 R929 T930 L931	L896-A927 HydrophobicContact CD1-CB 4.02Å; L896-A927 HydrophobicContact CD2-CB 4.14Å; L904-A927 HydrophobicContact CD1-CB 4.14Å; L904-A927 HydrophobicContact CD2-CB 4.14Å; E923-A927 WeakPolarHBondContact O-CB 3.34Å; E923-A927 PolarHBondContact O-N 2.88Å; L924-A927 PolarHBondContact O-N 2.86Å; A927-R929 VanDerWaalsContact C-N 3.33Å; A927-R929 PolarHBondContact O-N 2.66Å; A927-T930 WeakPolarHBondContact O-CB 3.28Å; A927-T930 PolarHBondContact O-N 2.9Å; A927-L931 PolarHBondContact O-N 3.4Å
928	L	95.5	Very high	94	Very high	18 Å²	18	62.3 Å²	62.3	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-43.7	175.5	177.3	61.9	0	0	0	111.3	L920 L924 S925 T930 L931 Q932 P960 M963	L920-L928 HydrophobicContact CD1-CD2 3.72Å; L924-L928 WeakPolarHBondContact O-CB 3.02Å; L924-L928 PolarHBondContact O-N 3.38Å; S925-L928 PolarHBondContact O-N 3.36Å; L928-T930 VanDerWaalsContact C-N 3.31Å; L928-T930 PolarHBondContact O-N 2.92Å; L928-L931 WeakPolarHBondContact O-CB 3.05Å; L928-L931 PolarHBondContact O-N 3.05Å; L928-Q932 HydrophobicContact CD1-CG 4.38Å; L928-Q932 WeakPolarHBondContact O-CG 3.44Å; L928-Q932 PolarHBondContact O-N 2.67Å; L928-P960 HydrophobicContact CD1-CB 4.06Å; L928-P960 HydrophobicContact CD2-CB 3.69Å; L928-P960 HydrophobicContact CD2-CG 4.23Å; L928-M963 HydrophobicContact CB-CE 4.23Å; L928-M963 HydrophobicContact CB-SD 4.35Å; L928-M963 HydrophobicContact CD1-SD 4.09Å; L928-M963 HydrophobicContact CD2-SD 4.05Å; L928-M963 HydrophobicContact CG-SD 4.39Å
929	R	96	Very high	94.6	Very high	160 Å²	160	61.3 Å²	61.3	60%	0.604	29%	0.287	S	S	*	.	H	α-helix	trans	-60.4	-42.4	175.6	-178.2	179.5	174.4	180	2.9	111.7	S925 A927 L931 Q932 D933	S925-R929 WeakPolarHBondContact O-CB 3.4Å; S925-R929 PolarHBondContact O-N 2.69Å; A927-R929 VanDerWaalsContact C-N 3.33Å; A927-R929 PolarHBondContact O-N 2.66Å; R929-L931 VanDerWaalsContact C-N 3.35Å; R929-Q932 PolarHBondContact O-N 3.06Å; R929-D933 IonicContact NE-OD2 3.73Å; R929-D933 WeakPolarHBondContact O-CB 3.18Å; R929-D933 PolarHBondContact O-N 3.49Å
930	T	96.5	Very high	95.2	Very high	55 Å²	55	57.7 Å²	57.7	34%	0.337	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-43.5	177.2	-54.1	0	0	0	0	111.1	L887 V892 D926 A927 L928 Q932 D933 T934	L887-T930 HydrophobicContact CD2-CG2 4.42Å; V892-T930 HydrophobicContact CG2-CG2 3.8Å; D926-T930 PolarHBondContact O-N 2.98Å; D926-T930 PolarHBondContact O-OG1 3.04Å; A927-T930 WeakPolarHBondContact O-CB 3.28Å; A927-T930 PolarHBondContact O-N 2.9Å; L928-T930 VanDerWaalsContact C-N 3.31Å; L928-T930 PolarHBondContact O-N 2.92Å; T930-Q932 PolarHBondContact O-N 2.81Å; T930-D933 PolarHBondContact O-N 2.93Å; T930-T934 PolarHBondContact O-N 2.99Å; T930-T934 PolarHBondContact O-OG1 3.17Å; T930-T934 VanDerWaalsContact O-OG1 3.11Å
931	L	97.3	Very high	95.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56	-51.1	173.2	-179.8	163	0	0	0	111.4	L883 L887 L904 C907 F908 A927 L928 R929 D933 T934 A935 F958	L883-L931 HydrophobicContact CD2-CD2 4.11Å; L883-L931 HydrophobicContact CD2-CG 4.19Å; L887-L931 HydrophobicContact CD1-CB 4.29Å; L887-L931 HydrophobicContact CD1-CD1 4.38Å; L887-L931 HydrophobicContact CD1-CG 4.12Å; L904-L931 HydrophobicContact CD1-CB 4.36Å; L904-L931 HydrophobicContact CD1-CD1 3.79Å; L904-L931 HydrophobicContact CG-CD1 4.17Å; C907-L931 HydrophobicContact CB-CD1 4.3Å; F908-L931 HydrophobicContact CD2-CD1 4.41Å; F908-L931 HydrophobicContact CE2-CD1 3.44Å; F908-L931 VanDerWaalsContact CE2-CD1 3.44Å; F908-L931 HydrophobicContact CE2-CG 4.37Å; F908-L931 HydrophobicContact CZ-CD1 3.76Å; F908-L931 HydrophobicContact CZ-CG 4.21Å; A927-L931 PolarHBondContact O-N 3.4Å; L928-L931 WeakPolarHBondContact O-CB 3.05Å; L928-L931 PolarHBondContact O-N 3.05Å; R929-L931 VanDerWaalsContact C-N 3.35Å; L931-D933 PolarHBondContact O-N 3.41Å; L931-T934 PolarHBondContact O-N 3.4Å; L931-A935 WeakPolarHBondContact O-CB 3.45Å; L931-A935 PolarHBondContact O-N 3.33Å; L931-F958 HydrophobicContact CD2-CB 3.86Å; L931-F958 HydrophobicContact CD2-CD2 4.27Å; L931-F958 HydrophobicContact CD2-CG 4.06Å
932	Q	97.3	Very high	95.8	Very high	57 Å²	57	54.1 Å²	54.1	27%	0.266	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-39.2	-179.4	-68.8	174.6	-25.5	0	0	112.6	L928 R929 T930 A935 R936 V955	L928-Q932 HydrophobicContact CD1-CG 4.38Å; L928-Q932 WeakPolarHBondContact O-CG 3.44Å; L928-Q932 PolarHBondContact O-N 2.67Å; R929-Q932 PolarHBondContact O-N 3.06Å; T930-Q932 PolarHBondContact O-N 2.81Å; Q932-A935 PolarHBondContact O-N 2.88Å; Q932-R936 WeakPolarHBondContact O-CB 3.49Å; Q932-R936 PolarHBondContact O-N 3.17Å; Q932-V955 HydrophobicContact CB-CG1 3.95Å; Q932-V955 HydrophobicContact CG-CG1 3.86Å
933	D	97.4	Very high	96	Very high	69 Å²	69	49.2 Å²	49.2	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-67.8	-37.6	177.6	-74.3	-21.3	0	0	0	111.9	R929 T930 L931 R936 R937	R929-D933 IonicContact NE-OD2 3.73Å; R929-D933 WeakPolarHBondContact O-CB 3.18Å; R929-D933 PolarHBondContact O-N 3.49Å; T930-D933 PolarHBondContact O-N 2.93Å; L931-D933 PolarHBondContact O-N 3.41Å; D933-R936 IonicContact OD1-NH1 3.01Å; D933-R936 PolarHBondContact OD1-NH1 3.35Å; D933-R936 VanDerWaalsContact OD1-NH1 3.13Å; D933-R937 PolarHBondContact O-N 3.29Å
934	T	97.3	Very high	96.3	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-42.1	173.9	-59.6	0	0	0	0	111.5	L883 E886 T930 L931 R936 R937 I938	L883-T934 HydrophobicContact CD1-CG2 3.47Å; L883-T934 VanDerWaalsContact CD1-CG2 3.47Å; E886-T934 HydrophobicContact CB-CG2 3.72Å; E886-T934 HydrophobicContact CG-CG2 4.45Å; T930-T934 PolarHBondContact O-N 2.99Å; T930-T934 PolarHBondContact O-OG1 3.17Å; T930-T934 VanDerWaalsContact O-OG1 3.11Å; L931-T934 PolarHBondContact O-N 3.4Å; T934-R936 VanDerWaalsContact C-N 3.34Å; T934-R936 PolarHBondContact O-N 3.31Å; T934-R937 WeakPolarHBondContact O-CA 3.29Å; T934-R937 VanDerWaalsContact O-CB 3.32Å; T934-R937 WeakPolarHBondContact O-CB 3.3Å; T934-R937 PolarHBondContact O-N 2.87Å; T934-I938 HydrophobicContact CG2-CD1 4.32Å; T934-I938 WeakPolarHBondContact O-CG1 3.42Å; T934-I938 PolarHBondContact O-N 2.9Å
935	A	97.3	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57	-46.9	173.6	0	0	0	0	0	111.3	L883 L931 Q932 R937 I938 A939 Y954 V955 F958	L883-A935 HydrophobicContact CD1-CB 4.29Å; L883-A935 HydrophobicContact CD2-CB 3.88Å; L931-A935 WeakPolarHBondContact O-CB 3.45Å; L931-A935 PolarHBondContact O-N 3.33Å; Q932-A935 PolarHBondContact O-N 2.88Å; A935-R937 VanDerWaalsContact C-N 3.28Å; A935-R937 PolarHBondContact O-N 3.14Å; A935-I938 PolarHBondContact O-N 3.25Å; A935-I938 VanDerWaalsContact O-N 3.16Å; A935-A939 PolarHBondContact O-N 2.89Å; A935-Y954 HydrophobicContact CB-CD1 4.22Å; A935-Y954 HydrophobicContact CB-CE1 4Å; A935-Y954 WeakPolarHBondContact O-CD1 3.35Å; A935-Y954 WeakPolarHBondContact O-CE1 3.46Å; A935-V955 HydrophobicContact CB-CG2 3.97Å; A935-F958 HydrophobicContact CB-CD2 4.17Å; A935-F958 HydrophobicContact CB-CE2 3.89Å
936	R	97.7	Very high	96.3	Very high	71 Å²	71	58.2 Å²	58.2	27%	0.268	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-30.6	175.8	-164.1	177.7	-64.2	101.5	2.6	112.9	Q932 D933 T934 R940 E951 V955	Q932-R936 WeakPolarHBondContact O-CB 3.49Å; Q932-R936 PolarHBondContact O-N 3.17Å; D933-R936 IonicContact OD1-NH1 3.01Å; D933-R936 PolarHBondContact OD1-NH1 3.35Å; D933-R936 VanDerWaalsContact OD1-NH1 3.13Å; T934-R936 VanDerWaalsContact C-N 3.34Å; T934-R936 PolarHBondContact O-N 3.31Å; R936-R940 WeakPolarHBondContact O-CG 3.3Å; R936-R940 PolarHBondContact O-N 2.95Å; R936-R940 PolarHBondContact O-NE 3.3Å; R936-R940 VanDerWaalsContact O-NE 3.11Å; R936-E951 WeakPolarHBondContact CG-OE2 3.19Å; R936-V955 HydrophobicContact CB-CG2 4.09Å
937	R	97.2	Very high	96.2	Very high	139 Å²	139	55.1 Å²	55.1	53%	0.525	24%	0.241	S	C	.	.	H	α-helix	trans	-66.8	-46.1	172.6	-177	-164.8	-59	-82.3	0.3	111.1	D933 T934 A935 R940 I941	D933-R937 PolarHBondContact O-N 3.29Å; T934-R937 WeakPolarHBondContact O-CA 3.29Å; T934-R937 VanDerWaalsContact O-CB 3.32Å; T934-R937 WeakPolarHBondContact O-CB 3.3Å; T934-R937 PolarHBondContact O-N 2.87Å; A935-R937 VanDerWaalsContact C-N 3.28Å; A935-R937 PolarHBondContact O-N 3.14Å; R937-R940 PolarHBondContact O-N 3.45Å; R937-I941 HydrophobicContact CG-CD1 4Å; R937-I941 WeakPolarHBondContact O-CG1 3.15Å; R937-I941 PolarHBondContact O-N 2.93Å
938	I	97.1	Very high	96	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-42.9	179.6	-67.1	170.7	0	0	0	110.8	L882 L883 E886 T934 A935 R940 I941 S942 Y954	L882-I938 HydrophobicContact CB-CD1 4.27Å; L882-I938 HydrophobicContact CD1-CG2 4.48Å; L883-I938 HydrophobicContact CB-CD1 3.94Å; L883-I938 HydrophobicContact CD1-CD1 4.03Å; E886-I938 HydrophobicContact CG-CD1 4.21Å; T934-I938 HydrophobicContact CG2-CD1 4.32Å; T934-I938 WeakPolarHBondContact O-CG1 3.42Å; T934-I938 PolarHBondContact O-N 2.9Å; A935-I938 PolarHBondContact O-N 3.25Å; A935-I938 VanDerWaalsContact O-N 3.16Å; I938-R940 PolarHBondContact O-N 2.89Å; I938-I941 PolarHBondContact O-N 3Å; I938-S942 WeakPolarHBondContact O-CB 3.48Å; I938-S942 PolarHBondContact O-N 3.31Å; I938-S942 PolarHBondContact O-OG 2.8Å; I938-Y954 HydrophobicContact CB-CE1 4.27Å; I938-Y954 HydrophobicContact CG2-CE1 4.24Å
939	A	96.5	Very high	95.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-44.1	175.7	0	0	0	0	0	112.3	A935 I941 S942 N943 V949 E951 Y954	A935-A939 PolarHBondContact O-N 2.89Å; A939-I941 PolarHBondContact O-N 3.44Å; A939-S942 WeakPolarHBondContact O-CB 3.4Å; A939-S942 PolarHBondContact O-N 3.32Å; A939-N943 PolarHBondContact O-N 3.11Å; A939-N943 PolarHBondContact O-ND2 3.49Å; A939-V949 HydrophobicContact CB-CG1 4.05Å; A939-E951 HydrophobicContact CB-CB 4.25Å; A939-E951 HydrophobicContact CB-CG 3.86Å; A939-Y954 HydrophobicContact CB-CD1 3.87Å
940	R	97.4	Very high	95.8	Very high	115 Å²	115	58.1 Å²	58.1	43%	0.434	28%	0.276	S	S	.	.	H	α-helix	trans	-59.9	-45.8	174.6	-77.9	-178.6	-71.2	176.4	-3.7	112.8	R936 R937 I938 S942 N943 E944 E951	R936-R940 WeakPolarHBondContact O-CG 3.3Å; R936-R940 PolarHBondContact O-N 2.95Å; R936-R940 PolarHBondContact O-NE 3.3Å; R936-R940 VanDerWaalsContact O-NE 3.11Å; R937-R940 PolarHBondContact O-N 3.45Å; I938-R940 PolarHBondContact O-N 2.89Å; R940-S942 VanDerWaalsContact C-N 3.27Å; R940-S942 PolarHBondContact O-N 2.75Å; R940-N943 PolarHBondContact O-N 2.94Å; R940-E944 WeakPolarHBondContact O-CG 3.27Å; R940-E944 PolarHBondContact O-N 2.86Å; R940-E951 VanDerWaalsContact CG-CD 3.44Å; R940-E951 HydrophobicContact CG-CG 4.46Å; R940-E951 WeakPolarHBondContact CG-OE1 3.49Å; R940-E951 WeakPolarHBondContact CG-OE2 3.2Å
941	I	96.7	Very high	95.7	Very high	22 Å²	22	58.4 Å²	58.4	11%	0.113	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-37.7	176.7	-71.1	169.7	0	0	0	111.1	V853 R856 L857 R937 I938 A939 E944 C945	V853-I941 HydrophobicContact CG1-CG2 4.44Å; R856-I941 HydrophobicContact CB-CG2 3.97Å; R856-I941 HydrophobicContact CG-CG2 3.59Å; L857-I941 HydrophobicContact CD2-CD1 3.49Å; L857-I941 VanDerWaalsContact CD2-CD1 3.49Å; L857-I941 HydrophobicContact CD2-CG2 4.33Å; L857-I941 HydrophobicContact CG-CG2 4.32Å; R937-I941 HydrophobicContact CG-CD1 4Å; R937-I941 WeakPolarHBondContact O-CG1 3.15Å; R937-I941 PolarHBondContact O-N 2.93Å; I938-I941 PolarHBondContact O-N 3Å; A939-I941 PolarHBondContact O-N 3.44Å; I941-E944 PolarHBondContact O-N 3.33Å; I941-C945 WeakPolarHBondContact O-CB 3.18Å; I941-C945 PolarHBondContact O-N 3.25Å; I941-C945 PolarHBondContact O-SG 3.32Å
942	S	96.2	Very high	95.5	Very high	5 Å²	5	63.2 Å²	63.2	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-47.4	175.3	-59.3	0	0	0	0	111.3	I938 A939 R940 E944 C945 R946 L947	I938-S942 WeakPolarHBondContact O-CB 3.48Å; I938-S942 PolarHBondContact O-N 3.31Å; I938-S942 PolarHBondContact O-OG 2.8Å; A939-S942 WeakPolarHBondContact O-CB 3.4Å; A939-S942 PolarHBondContact O-N 3.32Å; R940-S942 VanDerWaalsContact C-N 3.27Å; R940-S942 PolarHBondContact O-N 2.75Å; S942-E944 PolarHBondContact O-N 3.37Å; S942-C945 CarbonylContact O-C 3.54Å; S942-C945 WeakPolarHBondContact O-CA 3.39Å; S942-C945 PolarHBondContact O-N 3.4Å; S942-R946 PolarHBondContact O-N 3.31Å; S942-L947 CarbonylContact C-O 3.56Å; S942-L947 WeakPolarHBondContact O-CB 3.3Å; S942-L947 PolarHBondContact O-N 3.21Å; S942-L947 VanDerWaalsContact O-O 3.12Å
943	N	95.9	Very high	95.3	Very high	62 Å²	62	65.5 Å²	65.5	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-43.8	175.5	-75.7	-40.8	0	0	0	112.4	A939 R940 C945 R946 L947 P948 V949	A939-N943 PolarHBondContact O-N 3.11Å; A939-N943 PolarHBondContact O-ND2 3.49Å; R940-N943 PolarHBondContact O-N 2.94Å; N943-C945 PolarHBondContact O-N 3.47Å; N943-R946 PolarHBondContact O-N 2.77Å; N943-L947 PolarHBondContact N-O 3.11Å; N943-L947 PolarHBondContact OD1-O 3.39Å; N943-P948 WeakPolarHBondContact OD1-CA 3.4Å; N943-V949 PolarHBondContact ND2-O 2.95Å; N943-V949 PolarHBondContact OD1-N 3.14Å; N943-V949 PolarHBondContact OD1-O 3.13Å
944	E	96.1	Very high	95.2	Very high	132 Å²	132	64.2 Å²	64.2	62%	0.617	30%	0.303	S	S	*	.	H	α-helix	trans	-58.3	-33.6	173.9	-72.6	174.6	-168.4	0	0	112.4	R940 I941 S942 R946	R940-E944 WeakPolarHBondContact O-CG 3.27Å; R940-E944 PolarHBondContact O-N 2.86Å; I941-E944 PolarHBondContact O-N 3.33Å; S942-E944 PolarHBondContact O-N 3.37Å; E944-R946 PolarHBondContact O-N 3.2Å
945	C	94.9	Very high	95.1	Very high	13 Å²	13	64.1 Å²	64.1	9%	0.088	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	9.1	179	-66.2	0	0	0	0	114.2	A849 R852 V853 I941 S942 N943 L947	A849-C945 WeakPolarHBondContact CB-O 3.35Å; R852-C945 HydrophobicContact CB-CB 4.04Å; R852-C945 PolarHBondContact NE-O 3.29Å; R852-C945 VanDerWaalsContact NE-O 3.16Å; R852-C945 PolarHBondContact NH2-O 3.49Å; V853-C945 HydrophobicContact CG2-CB 3.47Å; V853-C945 VanDerWaalsContact CG2-CB 3.47Å; I941-C945 WeakPolarHBondContact O-CB 3.18Å; I941-C945 PolarHBondContact O-N 3.25Å; I941-C945 PolarHBondContact O-SG 3.32Å; S942-C945 CarbonylContact O-C 3.54Å; S942-C945 WeakPolarHBondContact O-CA 3.39Å; S942-C945 PolarHBondContact O-N 3.4Å; N943-C945 PolarHBondContact O-N 3.47Å; C945-L947 VanDerWaalsContact C-N 3.34Å
946	R	92.9	Very high	94.8	Very high	206 Å²	206	69.5 Å²	69.5	78%	0.777	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	30.4	-175.2	-48.7	179	-178.1	178.4	-0.9	113.9	S942 N943 E944	S942-R946 PolarHBondContact O-N 3.31Å; N943-R946 PolarHBondContact O-N 2.77Å; E944-R946 PolarHBondContact O-N 3.2Å
947	L	92.1	Very high	94.6	Very high	19 Å²	19	69 Å²	69	10%	0.099	34%	0.339	C	S	.	.			trans	-107.4	103.3	168.8	-173.2	69.8	0	0	0	107.9	Y548 E846 A849 R850 S942 N943 C945 V949	Y548-L947 VanDerWaalsContact OH-CD2 3.25Å; Y548-L947 WeakPolarHBondContact OH-CD2 3.16Å; E846-L947 HydrophobicContact CG-CD1 4.03Å; A849-L947 HydrophobicContact CB-CB 4.26Å; R850-L947 HydrophobicContact CG-CD2 4.15Å; S942-L947 CarbonylContact C-O 3.56Å; S942-L947 WeakPolarHBondContact O-CB 3.3Å; S942-L947 PolarHBondContact O-N 3.21Å; S942-L947 VanDerWaalsContact O-O 3.12Å; N943-L947 PolarHBondContact N-O 3.11Å; N943-L947 PolarHBondContact OD1-O 3.39Å; C945-L947 VanDerWaalsContact C-N 3.34Å; L947-V949 HydrophobicContact CG-CG2 4.39Å; L947-V949 PolarHBondContact O-N 2.75Å
948	P	91	Very high	94.5	Very high	119 Å²	119	62.9 Å²	62.9	77%	0.773	32%	0.317	S	S	*	.			trans	-67.2	116.4	-174.8	27	-33.3	0	0	0	110.6	N943	N943-P948 WeakPolarHBondContact OD1-CA 3.4Å
949	V	92.4	Very high	94.3	Very high	41 Å²	41	64.8 Å²	64.8	25%	0.248	33%	0.325	C	S	.	.			trans	-132.1	126.6	177.4	179.4	0	0	0	0	108.6	A939 N943 L947 E951 Y954	A939-V949 HydrophobicContact CB-CG1 4.05Å; N943-V949 PolarHBondContact ND2-O 2.95Å; N943-V949 PolarHBondContact OD1-N 3.14Å; N943-V949 PolarHBondContact OD1-O 3.13Å; L947-V949 HydrophobicContact CG-CG2 4.39Å; L947-V949 PolarHBondContact O-N 2.75Å; V949-E951 PolarHBondContact O-N 2.81Å; V949-Y954 HydrophobicContact CG1-CG 4.32Å
950	D	94.5	Very high	94.2	Very high	86 Å²	86	65.7 Å²	65.7	46%	0.46	33%	0.33	S	S	.	.			trans	-72.9	114.4	169.9	-176.3	-41.5	0	0	0	109	D952 N953 Y954	D950-D952 VanDerWaalsContact C-N 3.32Å; D950-D952 PolarHBondContact O-N 3.3Å; D950-D952 PolarHBondContact OD1-N 2.79Å; D950-N953 HydrophobicContact CB-CB 4.02Å; D950-N953 PolarHBondContact OD1-N 2.69Å; D950-N953 VanDerWaalsContact OD1-N 3.07Å; D950-N953 PolarHBondContact OD2-ND2 2.79Å; D950-Y954 WeakPolarHBondContact O-CB 3.39Å; D950-Y954 PolarHBondContact O-N 2.8Å
951	E	94	Very high	94	Very high	61 Å²	61	61.8 Å²	61.8	29%	0.285	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-40.1	-175.1	-63.7	-174.9	-150.8	0	0	112.4	R936 A939 R940 V949 V955	R936-E951 WeakPolarHBondContact CG-OE2 3.19Å; A939-E951 HydrophobicContact CB-CB 4.25Å; A939-E951 HydrophobicContact CB-CG 3.86Å; R940-E951 VanDerWaalsContact CG-CD 3.44Å; R940-E951 HydrophobicContact CG-CG 4.46Å; R940-E951 WeakPolarHBondContact CG-OE1 3.49Å; R940-E951 WeakPolarHBondContact CG-OE2 3.2Å; V949-E951 PolarHBondContact O-N 2.81Å; E951-V955 VanDerWaalsContact O-CG2 3.25Å; E951-V955 WeakPolarHBondContact O-CG2 3.09Å; E951-V955 PolarHBondContact O-N 3.21Å; E951-V955 VanDerWaalsContact O-N 3.1Å
952	D	94.1	Very high	93.8	Very high	102 Å²	102	60.8 Å²	60.8	55%	0.545	31%	0.312	S	S	.	.	H	α-helix	trans	-74.4	-45.4	-175.7	-69.8	-33	0	0	0	110.1	D950 Y954 V955 D956	D950-D952 VanDerWaalsContact C-N 3.32Å; D950-D952 PolarHBondContact O-N 3.3Å; D950-D952 PolarHBondContact OD1-N 2.79Å; D952-Y954 VanDerWaalsContact C-N 3.29Å; D952-Y954 PolarHBondContact O-N 3.29Å; D952-V955 PolarHBondContact O-N 2.81Å; D952-D956 VanDerWaalsContact O-CB 3.3Å; D952-D956 WeakPolarHBondContact O-CB 3.29Å; D952-D956 PolarHBondContact O-N 3.39Å
953	N	93.3	Very high	93.8	Very high	105 Å²	105	60.6 Å²	60.6	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-36.5	176.1	-74.3	-37.6	0	0	0	112.5	D950 S957	D950-N953 HydrophobicContact CB-CB 4.02Å; D950-N953 PolarHBondContact OD1-N 2.69Å; D950-N953 VanDerWaalsContact OD1-N 3.07Å; D950-N953 PolarHBondContact OD2-ND2 2.79Å; N953-S957 PolarHBondContact O-N 2.87Å; N953-S957 VanDerWaalsContact O-N 3.12Å
954	Y	94.7	Very high	93.7	Very high	41 Å²	41	59.1 Å²	59.1	16%	0.161	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-44.3	176.3	-178.5	-117.9	0	0	0	111.5	D880 A935 I938 A939 V949 D950 D952 S957 F958	D880-Y954 VanDerWaalsContact CG-OH 3.3Å; D880-Y954 PolarHBondContact OD1-OH 2.83Å; D880-Y954 VanDerWaalsContact OD2-CE2 3.3Å; D880-Y954 WeakPolarHBondContact OD2-CE2 3.43Å; D880-Y954 VanDerWaalsContact OD2-CZ 3.31Å; D880-Y954 PolarHBondContact OD2-OH 2.9Å; A935-Y954 HydrophobicContact CB-CD1 4.22Å; A935-Y954 HydrophobicContact CB-CE1 4Å; A935-Y954 WeakPolarHBondContact O-CD1 3.35Å; A935-Y954 WeakPolarHBondContact O-CE1 3.46Å; I938-Y954 HydrophobicContact CB-CE1 4.27Å; I938-Y954 HydrophobicContact CG2-CE1 4.24Å; A939-Y954 HydrophobicContact CB-CD1 3.87Å; V949-Y954 HydrophobicContact CG1-CG 4.32Å; D950-Y954 WeakPolarHBondContact O-CB 3.39Å; D950-Y954 PolarHBondContact O-N 2.8Å; D952-Y954 VanDerWaalsContact C-N 3.29Å; D952-Y954 PolarHBondContact O-N 3.29Å; Y954-S957 WeakPolarHBondContact O-CB 3.48Å; Y954-S957 PolarHBondContact O-N 3.02Å; Y954-S957 PolarHBondContact O-OG 3.34Å; Y954-F958 HydrophobicContact CD1-CE2 4.39Å; Y954-F958 HydrophobicContact CD2-CE2 4.33Å; Y954-F958 HydrophobicContact CE1-CE2 4.15Å; Y954-F958 HydrophobicContact CE2-CE2 4.05Å; Y954-F958 AromaticContact CE2-CZ 3.91Å; Y954-F958 HydrophobicContact CE2-CZ 3.91Å; Y954-F958 AromaticContact CZ-CE2 3.97Å; Y954-F958 AromaticContact CZ-CZ 3.91Å; Y954-F958 VanDerWaalsContact O-CD2 3.29Å; Y954-F958 WeakPolarHBondContact O-CD2 3.5Å; Y954-F958 WeakPolarHBondContact O-CE2 3.5Å
955	V	95	Very high	93.6	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-41.8	176.3	174.6	0	0	0	0	111.6	Q932 A935 R936 E951 D952 S957 F958	Q932-V955 HydrophobicContact CB-CG1 3.95Å; Q932-V955 HydrophobicContact CG-CG1 3.86Å; A935-V955 HydrophobicContact CB-CG2 3.97Å; R936-V955 HydrophobicContact CB-CG2 4.09Å; E951-V955 VanDerWaalsContact O-CG2 3.25Å; E951-V955 WeakPolarHBondContact O-CG2 3.09Å; E951-V955 PolarHBondContact O-N 3.21Å; E951-V955 VanDerWaalsContact O-N 3.1Å; D952-V955 PolarHBondContact O-N 2.81Å; V955-S957 PolarHBondContact O-N 3.26Å; V955-F958 PolarHBondContact O-N 3.08Å
956	D	92.2	Very high	93.6	Very high	112 Å²	112	52.3 Å²	52.3	60%	0.599	27%	0.27	S	S	*	.	H	α-helix	trans	-70.7	-13.9	-179.5	-75.3	-12	0	0	0	113.4	D952 F958	D952-D956 VanDerWaalsContact O-CB 3.3Å; D952-D956 WeakPolarHBondContact O-CB 3.29Å; D952-D956 PolarHBondContact O-N 3.39Å; D956-F958 PolarHBondContact O-N 3.44Å
957	S	92.6	Very high	93.8	Very high	61 Å²	61	43.4 Å²	43.4	43%	0.427	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.6	171.7	78.7	0	0	0	0	112.3	N953 Y954 V955 K959	N953-S957 PolarHBondContact O-N 2.87Å; N953-S957 VanDerWaalsContact O-N 3.12Å; Y954-S957 WeakPolarHBondContact O-CB 3.48Å; Y954-S957 PolarHBondContact O-N 3.02Å; Y954-S957 PolarHBondContact O-OG 3.34Å; V955-S957 PolarHBondContact O-N 3.26Å; S957-K959 PolarHBondContact O-N 2.99Å
958	F	94.7	Very high	93.9	Very high	11 Å²	11	43.6 Å²	43.6	5%	0.048	24%	0.242	C	C	.	.	S	Bend	trans	-91.1	95.9	179	-53.4	-72.8	0	0	0	111	D880 L883 C907 F908 L931 A935 Y954 V955 D956 P960	D880-F958 HydrophobicContact CB-CE1 3.86Å; D880-F958 HydrophobicContact CB-CZ 4.04Å; L883-F958 HydrophobicContact CD2-CD1 4.15Å; L883-F958 HydrophobicContact CD2-CD2 4.01Å; L883-F958 HydrophobicContact CD2-CE1 3.73Å; L883-F958 HydrophobicContact CD2-CE2 3.57Å; L883-F958 HydrophobicContact CD2-CG 4.29Å; L883-F958 HydrophobicContact CD2-CZ 3.42Å; L883-F958 VanDerWaalsContact CD2-CZ 3.42Å; C907-F958 HydrophobicContact CB-CB 4.39Å; C907-F958 CarbonylContact O-C 3.53Å; C907-F958 WeakPolarHBondContact O-CA 3.35Å; F908-F958 AromaticContact CD1-CD1 3.74Å; F908-F958 HydrophobicContact CD1-CD1 3.74Å; F908-F958 AromaticContact CD1-CE1 3.63Å; F908-F958 HydrophobicContact CD1-CE1 3.63Å; F908-F958 AromaticContact CE1-CD1 3.8Å; F908-F958 HydrophobicContact CE1-CD1 3.8Å; F908-F958 AromaticContact CE1-CE1 3.59Å; F908-F958 HydrophobicContact CE1-CE1 3.59Å; F908-F958 HydrophobicContact CE1-CZ 4.5Å; F908-F958 HydrophobicContact CG-CD1 4.32Å; F908-F958 HydrophobicContact CZ-CD1 4.42Å; L931-F958 HydrophobicContact CD2-CB 3.86Å; L931-F958 HydrophobicContact CD2-CD2 4.27Å; L931-F958 HydrophobicContact CD2-CG 4.06Å; A935-F958 HydrophobicContact CB-CD2 4.17Å; A935-F958 HydrophobicContact CB-CE2 3.89Å; Y954-F958 HydrophobicContact CD1-CE2 4.39Å; Y954-F958 HydrophobicContact CD2-CE2 4.33Å; Y954-F958 HydrophobicContact CE1-CE2 4.15Å; Y954-F958 HydrophobicContact CE2-CE2 4.05Å; Y954-F958 AromaticContact CE2-CZ 3.91Å; Y954-F958 HydrophobicContact CE2-CZ 3.91Å; Y954-F958 AromaticContact CZ-CE2 3.97Å; Y954-F958 AromaticContact CZ-CZ 3.91Å; Y954-F958 VanDerWaalsContact O-CD2 3.29Å; Y954-F958 WeakPolarHBondContact O-CD2 3.5Å; Y954-F958 WeakPolarHBondContact O-CE2 3.5Å; V955-F958 PolarHBondContact O-N 3.08Å; D956-F958 PolarHBondContact O-N 3.44Å; F958-P960 WeakPolarHBondContact O-CD 3.44Å
959	K	92.8	Very high	94.1	Very high	42 Å²	42	38 Å²	38	18%	0.183	21%	0.205	C	C	.	.			trans	-91.7	117.6	-165.4	-68.9	-177.3	-176.1	177.2	0	113.2	C907 F910 E911 E912 S957 H961	C907-K959 WeakPolarHBondContact CA-O 3.44Å; C907-K959 PolarHBondContact O-N 2.85Å; C907-K959 VanDerWaalsContact O-N 3.13Å; F910-K959 HydrophobicContact CD1-CB 3.67Å; F910-K959 HydrophobicContact CD1-CD 4.04Å; F910-K959 HydrophobicContact CE1-CB 4.35Å; F910-K959 HydrophobicContact CE1-CD 4.2Å; E911-K959 VanDerWaalsContact C-NZ 3.35Å; E911-K959 PolarHBondContact O-NZ 3.01Å; E912-K959 VanDerWaalsContact O-CD 3.3Å; E912-K959 WeakPolarHBondContact O-CD 3.41Å; E912-K959 PolarHBondContact O-NZ 3.4Å; S957-K959 PolarHBondContact O-N 2.99Å; K959-H961 VanDerWaalsContact C-N 3.29Å; K959-H961 PolarHBondContact O-N 3.08Å
960	P	93.9	Very high	94.2	Very high	19 Å²	19	36.4 Å²	36.4	12%	0.123	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-79.2	-4.5	-175.4	32.6	-37.1	0	0	0	115	P918 L928 F958 L962 M963	P918-P960 HydrophobicContact CG-CB 4.3Å; P918-P960 WeakPolarHBondContact CG-O 3.44Å; L928-P960 HydrophobicContact CD1-CB 4.06Å; L928-P960 HydrophobicContact CD2-CB 3.69Å; L928-P960 HydrophobicContact CD2-CG 4.23Å; F958-P960 WeakPolarHBondContact O-CD 3.44Å; P960-L962 PolarHBondContact O-N 3.12Å; P960-M963 HydrophobicContact CB-CG 4.25Å; P960-M963 HydrophobicContact CB-SD 3.6Å; P960-M963 VanDerWaalsContact CB-SD 3.6Å; P960-M963 VanDerWaalsContact O-CB 3.31Å; P960-M963 WeakPolarHBondContact O-CB 3.35Å; P960-M963 WeakPolarHBondContact O-CG 3.48Å; P960-M963 PolarHBondContact O-N 3.33Å
961	H	93.6	Very high	94.3	Very high	33 Å²	33	39 Å²	39	15%	0.153	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58.3	-20.3	-165.7	-56.2	82.5	0	0	0	116	F910 A914 E916 K959	F910-H961 HydrophobicContact CD1-CB 4.25Å; F910-H961 HydrophobicContact CE1-CB 3.82Å; A914-H961 HydrophobicContact CB-CB 3.76Å; A914-H961 PolarHBondContact O-CD2 3.46Å; A914-H961 PolarHBondContact O-NE2 2.94Å; E916-H961 PolarHBondContact O-CD2 3.12Å; K959-H961 VanDerWaalsContact C-N 3.29Å; K959-H961 PolarHBondContact O-N 3.08Å
962	L	93.4	Very high	94.2	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-103.8	2.1	178.9	-68.5	-175.9	0	0	0	114	F910 P960 D964 L965 V966 L984 T992	F910-L962 HydrophobicContact CB-CD1 3.99Å; F910-L962 HydrophobicContact CB-CG 4.5Å; F910-L962 HydrophobicContact CD1-CD1 4.44Å; F910-L962 HydrophobicContact CD1-CG 4.31Å; F910-L962 HydrophobicContact CD2-CD1 3.26Å; F910-L962 HydrophobicContact CD2-CG 3.92Å; F910-L962 HydrophobicContact CE2-CD1 3.81Å; F910-L962 HydrophobicContact CE2-CG 4.21Å; F910-L962 HydrophobicContact CG-CD1 3.63Å; F910-L962 HydrophobicContact CG-CG 3.97Å; P960-L962 PolarHBondContact O-N 3.12Å; L962-D964 PolarHBondContact O-N 3.04Å; L962-L965 HydrophobicContact CD2-CB 4.44Å; L962-L965 HydrophobicContact CD2-CD1 3.89Å; L962-L965 HydrophobicContact CD2-CD2 4.41Å; L962-L965 HydrophobicContact CD2-CG 4.47Å; L962-L965 PolarHBondContact O-N 3.22Å; L962-V966 HydrophobicContact CB-CG2 4.45Å; L962-V966 WeakPolarHBondContact O-CB 3.49Å; L962-V966 VanDerWaalsContact O-CG2 3.25Å; L962-V966 WeakPolarHBondContact O-CG2 3.28Å; L962-V966 PolarHBondContact O-N 3.42Å; L962-L984 HydrophobicContact CD2-CD1 3.71Å; L962-L984 HydrophobicContact CG-CD1 4.42Å; L962-T992 HydrophobicContact CD1-CG2 3.59Å
963	M	95.1	Very high	94.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-47.1	-173.5	-73.9	-178.6	72.9	0	0	113.4	A903 L904 L920 L924 L928 P960 V966 D967	A903-M963 VanDerWaalsContact CB-O 3.27Å; A903-M963 WeakPolarHBondContact CB-O 3.39Å; A903-M963 WeakPolarHBondContact O-CG 3.41Å; L904-M963 HydrophobicContact CD1-CE 4.2Å; L920-M963 HydrophobicContact CD1-CE 4.31Å; L920-M963 HydrophobicContact CD1-SD 4.06Å; L920-M963 HydrophobicContact CD2-CB 3.57Å; L920-M963 HydrophobicContact CD2-CE 4.08Å; L920-M963 HydrophobicContact CD2-CG 4.43Å; L920-M963 HydrophobicContact CD2-SD 4.05Å; L924-M963 HydrophobicContact CB-CE 4.09Å; L924-M963 HydrophobicContact CD2-CE 4.03Å; L928-M963 HydrophobicContact CB-CE 4.23Å; L928-M963 HydrophobicContact CB-SD 4.35Å; L928-M963 HydrophobicContact CD1-SD 4.09Å; L928-M963 HydrophobicContact CD2-SD 4.05Å; L928-M963 HydrophobicContact CG-SD 4.39Å; P960-M963 HydrophobicContact CB-CG 4.25Å; P960-M963 HydrophobicContact CB-SD 3.6Å; P960-M963 VanDerWaalsContact CB-SD 3.6Å; P960-M963 VanDerWaalsContact O-CB 3.31Å; P960-M963 WeakPolarHBondContact O-CB 3.35Å; P960-M963 WeakPolarHBondContact O-CG 3.48Å; P960-M963 PolarHBondContact O-N 3.33Å; M963-V966 PolarHBondContact O-N 3.5Å; M963-D967 PolarHBondContact O-N 3.23Å
964	D	94.4	Very high	94.1	Very high	31 Å²	31	31.6 Å²	31.6	17%	0.166	18%	0.18	C	C	.	.	H	α-helix	trans	-71.7	-35.8	179.8	60.6	-16.9	0	0	0	112.1	P918 K919 L962 D967 A968 M981	P918-D964 VanDerWaalsContact CA-OD2 3.32Å; P918-D964 WeakPolarHBondContact CA-OD2 3.27Å; P918-D964 HydrophobicContact CB-CB 4.01Å; P918-D964 VanDerWaalsContact CB-CG 3.42Å; P918-D964 WeakPolarHBondContact CB-OD1 3.44Å; K919-D964 PolarHBondContact N-OD2 3.4Å; L962-D964 PolarHBondContact O-N 3.04Å; D964-D967 PolarHBondContact O-N 3.39Å; D964-A968 WeakPolarHBondContact O-CB 3.31Å; D964-A968 PolarHBondContact O-N 3.08Å; D964-M981 HydrophobicContact CB-CE 4.36Å
965	L	93.9	Very high	93.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-46.5	171.4	-177.7	152.7	0	0	0	111.5	L962 A968 W969 V978 M981 T982 I989	L962-L965 HydrophobicContact CD2-CB 4.44Å; L962-L965 HydrophobicContact CD2-CD1 3.89Å; L962-L965 HydrophobicContact CD2-CD2 4.41Å; L962-L965 HydrophobicContact CD2-CG 4.47Å; L962-L965 PolarHBondContact O-N 3.22Å; L965-A968 PolarHBondContact O-N 3.12Å; L965-W969 WeakPolarHBondContact O-CB 3.03Å; L965-W969 PolarHBondContact O-N 2.92Å; L965-V978 HydrophobicContact CD1-CG1 3.75Å; L965-V978 WeakPolarHBondContact CD1-O 3.39Å; L965-V978 HydrophobicContact CD2-CG1 3.31Å; L965-V978 HydrophobicContact CG-CB 4.38Å; L965-V978 HydrophobicContact CG-CG1 3.32Å; L965-M981 HydrophobicContact CB-CE 4.49Å; L965-T982 HydrophobicContact CD1-CG2 3.64Å; L965-I989 HydrophobicContact CD1-CD1 4.24Å; L965-I989 HydrophobicContact CD2-CG2 4.01Å
966	V	95.6	Very high	93.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-70.9	-37.2	179.1	172.4	0	0	0	0	111.7	A902 L962 M963 W969 T970 L993 L996	A902-V966 HydrophobicContact CB-CG1 3.87Å; L962-V966 HydrophobicContact CB-CG2 4.45Å; L962-V966 WeakPolarHBondContact O-CB 3.49Å; L962-V966 VanDerWaalsContact O-CG2 3.25Å; L962-V966 WeakPolarHBondContact O-CG2 3.28Å; L962-V966 PolarHBondContact O-N 3.42Å; M963-V966 PolarHBondContact O-N 3.5Å; V966-W969 PolarHBondContact O-N 3.4Å; V966-T970 HydrophobicContact CG1-CG2 4.41Å; V966-T970 WeakPolarHBondContact O-CG2 3.32Å; V966-T970 PolarHBondContact O-N 3.06Å; V966-T970 PolarHBondContact O-OG1 2.97Å; V966-L993 HydrophobicContact CG2-CD2 3.96Å; V966-L996 HydrophobicContact CG1-CD2 3.78Å; V966-L996 HydrophobicContact CG2-CD2 4.27Å
967	D	95.8	Very high	93.6	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.102	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-45.3	171.6	-176.7	71	0	0	0	111	H900 A903 L924 M963 D964 W969 T970 R971	H900-D967 IonicContact CD2-OD1 3.3Å; H900-D967 PolarHBondContact CD2-OD1 2.97Å; H900-D967 VanDerWaalsContact CD2-OD1 3.25Å; H900-D967 IonicContact NE2-OD1 3.67Å; A903-D967 HydrophobicContact CB-CB 4.13Å; L924-D967 HydrophobicContact CD1-CB 4.31Å; M963-D967 PolarHBondContact O-N 3.23Å; D964-D967 PolarHBondContact O-N 3.39Å; D967-W969 PolarHBondContact O-N 2.95Å; D967-T970 PolarHBondContact O-N 3.35Å; D967-T970 PolarHBondContact O-OG1 3.38Å; D967-T970 VanDerWaalsContact O-OG1 3.05Å; D967-R971 VanDerWaalsContact CG-NE 3.33Å; D967-R971 VanDerWaalsContact O-CG 3.27Å; D967-R971 WeakPolarHBondContact O-CG 3.29Å; D967-R971 PolarHBondContact O-N 3.44Å; D967-R971 VanDerWaalsContact O-N 3.1Å; D967-R971 IonicContact OD1-CZ 3.29Å; D967-R971 IonicContact OD1-NE 2.99Å; D967-R971 PolarHBondContact OD1-NE 3.46Å; D967-R971 IonicContact OD1-NH2 2.66Å; D967-R971 PolarHBondContact OD1-NH2 3.35Å; D967-R971 IonicContact OD2-CZ 3.68Å; D967-R971 IonicContact OD2-NE 3.91Å; D967-R971 PolarHBondContact OD2-NE 2.79Å; D967-R971 IonicContact OD2-NH2 3.48Å; D967-R971 PolarHBondContact OD2-NH2 3.3Å
968	A	94.7	Very high	93.6	Very high	23 Å²	23	25.6 Å²	25.6	19%	0.19	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-42.5	175.3	0	0	0	0	0	112.3	D964 L965 R971 G972 A973 M981	D964-A968 WeakPolarHBondContact O-CB 3.31Å; D964-A968 PolarHBondContact O-N 3.08Å; L965-A968 PolarHBondContact O-N 3.12Å; A968-R971 PolarHBondContact O-N 2.92Å; A968-G972 PolarHBondContact O-N 3.34Å; A968-A973 HydrophobicContact CB-CB 4.16Å; A968-A973 WeakPolarHBondContact O-CB 3.32Å; A968-A973 PolarHBondContact O-N 2.86Å; A968-M981 HydrophobicContact CB-CE 4.28Å; A968-M981 HydrophobicContact CB-SD 4.02Å
969	W	95.6	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-46.9	176.2	-179	-109.1	0	0	0	111.8	L965 V966 D967 R971 G972 A973 F975 V978 L993 I1026 R1028 D1029 V1031	L965-W969 WeakPolarHBondContact O-CB 3.03Å; L965-W969 PolarHBondContact O-N 2.92Å; V966-W969 PolarHBondContact O-N 3.4Å; D967-W969 PolarHBondContact O-N 2.95Å; W969-R971 PolarHBondContact O-N 3.3Å; W969-G972 PolarHBondContact O-N 3.35Å; W969-A973 WeakPolarHBondContact CZ3-O 3.33Å; W969-F975 HydrophobicContact CH2-CB 4.2Å; W969-F975 HydrophobicContact CH2-CD2 4.35Å; W969-F975 HydrophobicContact CZ3-CB 3.78Å; W969-F975 HydrophobicContact CZ3-CD2 4.12Å; W969-F975 HydrophobicContact CZ3-CG 4.47Å; W969-V978 HydrophobicContact CB-CG2 4.22Å; W969-V978 HydrophobicContact CE3-CG2 4.03Å; W969-L993 HydrophobicContact CD2-CD1 4.41Å; W969-L993 HydrophobicContact CG-CD1 4.36Å; W969-I1026 PolarHBondContact NE1-O 3.11Å; W969-R1028 HydrophobicContact CH2-CG 4.03Å; W969-R1028 HydrophobicContact CZ2-CG 3.46Å; W969-R1028 VanDerWaalsContact CZ2-CG 3.46Å; W969-R1028 PolarHBondContact O-NE 3.37Å; W969-R1028 PolarHBondContact O-NH2 3.46Å; W969-D1029 HydrophobicContact CH2-CB 4.15Å; W969-V1031 HydrophobicContact CH2-CG2 4.03Å; W969-V1031 HydrophobicContact CZ2-CB 4.42Å; W969-V1031 HydrophobicContact CZ2-CG2 3.45Å; W969-V1031 VanDerWaalsContact CZ2-CG2 3.45Å
970	T	95.1	Very high	93.2	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-69	-20.6	-179.9	51.3	0	0	0	0	113.4	E899 A902 V966 D967 G972 K1025 I1026	E899-T970 WeakPolarHBondContact CA-OG1 3.31Å; E899-T970 VanDerWaalsContact CB-OG1 3.28Å; E899-T970 WeakPolarHBondContact CB-OG1 3.36Å; A902-T970 HydrophobicContact CB-CG2 3.76Å; V966-T970 HydrophobicContact CG1-CG2 4.41Å; V966-T970 WeakPolarHBondContact O-CG2 3.32Å; V966-T970 PolarHBondContact O-N 3.06Å; V966-T970 PolarHBondContact O-OG1 2.97Å; D967-T970 PolarHBondContact O-N 3.35Å; D967-T970 PolarHBondContact O-OG1 3.38Å; D967-T970 VanDerWaalsContact O-OG1 3.05Å; T970-G972 VanDerWaalsContact C-N 3.34Å; T970-K1025 HydrophobicContact CG2-CB 4.16Å; T970-I1026 HydrophobicContact CG2-CG1 3.67Å
971	R	95	Very high	92.9	Very high	140 Å²	140	30.7 Å²	30.7	53%	0.528	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.4	171.5	-68.3	177.2	-165.9	-79.3	-9.2	114.8	E899 H900 D967 A968 W969	E899-R971 HydrophobicContact CG-CG 4.12Å; H900-R971 PolarHBondContact NE2-NH2 3.01Å; H900-R971 VanDerWaalsContact NE2-NH2 3.14Å; D967-R971 VanDerWaalsContact CG-NE 3.33Å; D967-R971 VanDerWaalsContact O-CG 3.27Å; D967-R971 WeakPolarHBondContact O-CG 3.29Å; D967-R971 PolarHBondContact O-N 3.44Å; D967-R971 VanDerWaalsContact O-N 3.1Å; D967-R971 IonicContact OD1-CZ 3.29Å; D967-R971 IonicContact OD1-NE 2.99Å; D967-R971 PolarHBondContact OD1-NE 3.46Å; D967-R971 IonicContact OD1-NH2 2.66Å; D967-R971 PolarHBondContact OD1-NH2 3.35Å; D967-R971 IonicContact OD2-CZ 3.68Å; D967-R971 IonicContact OD2-NE 3.91Å; D967-R971 PolarHBondContact OD2-NE 2.79Å; D967-R971 IonicContact OD2-NH2 3.48Å; D967-R971 PolarHBondContact OD2-NH2 3.3Å; A968-R971 PolarHBondContact O-N 2.92Å; W969-R971 PolarHBondContact O-N 3.3Å
972	G	92.8	Very high	92.7	Very high	49 Å²	49	30.3 Å²	30.3	51%	0.505	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	13.1	174.9	0	0	0	0	0	116	A968 W969 T970 R1028	A968-G972 PolarHBondContact O-N 3.34Å; W969-G972 PolarHBondContact O-N 3.35Å; T970-G972 VanDerWaalsContact C-N 3.34Å; G972-R1028 VanDerWaalsContact CA-NH2 3.29Å
973	A	93.4	Very high	92.4	Very high	27 Å²	27	34.8 Å²	34.8	22%	0.223	22%	0.215	C	C	.	.			trans	-61	143.1	174.5	0	0	0	0	0	112	A968 W969 V978 R1028	A968-A973 HydrophobicContact CB-CB 4.16Å; A968-A973 WeakPolarHBondContact O-CB 3.32Å; A968-A973 PolarHBondContact O-N 2.86Å; W969-A973 WeakPolarHBondContact CZ3-O 3.33Å; A973-V978 HydrophobicContact CB-CG2 3.95Å; A973-R1028 PolarHBondContact O-NH1 3.08Å; A973-R1028 PolarHBondContact O-NH2 3.37Å
974	S	91.9	Very high	92.2	Very high	38 Å²	38	35.7 Å²	35.7	27%	0.266	22%	0.22	S	C	.	.			trans	-65.3	155	176.5	67.5	0	0	0	0	111.8	E415 A976 S977 V978	E415-S974 WeakPolarHBondContact OE2-CB 3.46Å; S974-A976 VanDerWaalsContact C-N 3.26Å; S974-A976 PolarHBondContact O-N 3.23Å; S974-S977 WeakPolarHBondContact O-CB 3.24Å; S974-S977 PolarHBondContact O-N 3.1Å; S974-S977 VanDerWaalsContact O-N 3.08Å; S974-S977 PolarHBondContact OG-N 3.35Å; S974-V978 PolarHBondContact O-N 3.48Å
975	F	91.4	Very high	92	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-36.2	-178.1	-174	-105.7	0	0	0	111.4	L419 L441 W969 S977 V978 C979 E986 I989 I990 I1030 V1031	L419-F975 HydrophobicContact CD1-CD1 3.68Å; L419-F975 HydrophobicContact CD1-CE1 3.93Å; L419-F975 HydrophobicContact CD2-CD1 3.96Å; L419-F975 HydrophobicContact CD2-CE1 4.42Å; L419-F975 HydrophobicContact CG-CD1 4.47Å; L441-F975 HydrophobicContact CD2-CE1 4.14Å; L441-F975 HydrophobicContact CD2-CZ 4.46Å; W969-F975 HydrophobicContact CH2-CB 4.2Å; W969-F975 HydrophobicContact CH2-CD2 4.35Å; W969-F975 HydrophobicContact CZ3-CB 3.78Å; W969-F975 HydrophobicContact CZ3-CD2 4.12Å; W969-F975 HydrophobicContact CZ3-CG 4.47Å; F975-S977 PolarHBondContact O-N 2.91Å; F975-V978 PolarHBondContact O-N 3.48Å; F975-C979 WeakPolarHBondContact CE1-SG 3.43Å; F975-C979 VanDerWaalsContact CZ-SG 3.56Å; F975-C979 PolarHBondContact O-N 3.34Å; F975-C979 PolarHBondContact O-SG 3.37Å; F975-E986 HydrophobicContact CE1-CB 4.03Å; F975-E986 HydrophobicContact CE1-CG 4.3Å; F975-E986 HydrophobicContact CZ-CB 4.17Å; F975-I989 HydrophobicContact CE2-CB 4.33Å; F975-I989 HydrophobicContact CE2-CG2 3.9Å; F975-I989 HydrophobicContact CZ-CB 4.43Å; F975-I989 HydrophobicContact CZ-CG2 4.47Å; F975-I990 HydrophobicContact CE2-CG1 3.88Å; F975-I990 HydrophobicContact CZ-CD1 4.05Å; F975-I990 HydrophobicContact CZ-CG1 3.67Å; F975-I1030 HydrophobicContact CB-CG2 3.99Å; F975-I1030 HydrophobicContact CD1-CG2 3.76Å; F975-I1030 HydrophobicContact CD2-CG2 3.96Å; F975-I1030 HydrophobicContact CE1-CG2 4.21Å; F975-I1030 HydrophobicContact CE2-CG2 4.4Å; F975-I1030 HydrophobicContact CG-CG2 3.62Å; F975-V1031 HydrophobicContact CD2-CG2 4.49Å
976	A	90	Very high	91.9	Very high	39 Å²	39	37.4 Å²	37.4	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-59.7	-42.2	172.6	0	0	0	0	0	112.6	L419 S974 C979 S980	L419-A976 HydrophobicContact CD2-CB 3.97Å; S974-A976 VanDerWaalsContact C-N 3.26Å; S974-A976 PolarHBondContact O-N 3.23Å; A976-C979 PolarHBondContact O-N 3.33Å; A976-S980 PolarHBondContact O-N 3.07Å; A976-S980 VanDerWaalsContact O-N 3.1Å
977	S	90.7	Very high	91.7	Very high	52 Å²	52	37.4 Å²	37.4	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-45.3	175.4	-175.3	0	0	0	0	111.4	S974 F975 S980 M981	S974-S977 WeakPolarHBondContact O-CB 3.24Å; S974-S977 PolarHBondContact O-N 3.1Å; S974-S977 VanDerWaalsContact O-N 3.08Å; S974-S977 PolarHBondContact OG-N 3.35Å; F975-S977 PolarHBondContact O-N 2.91Å; S977-S980 PolarHBondContact O-N 2.92Å; S977-S980 PolarHBondContact O-OG 3Å; S977-M981 WeakPolarHBondContact O-CG 3.39Å
978	V	91.3	Very high	91.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-42.1	178.7	162.8	0	0	0	0	111	L965 W969 A973 S974 F975 S980 M981 I989	L965-V978 HydrophobicContact CD1-CG1 3.75Å; L965-V978 WeakPolarHBondContact CD1-O 3.39Å; L965-V978 HydrophobicContact CD2-CG1 3.31Å; L965-V978 HydrophobicContact CG-CB 4.38Å; L965-V978 HydrophobicContact CG-CG1 3.32Å; W969-V978 HydrophobicContact CB-CG2 4.22Å; W969-V978 HydrophobicContact CE3-CG2 4.03Å; A973-V978 HydrophobicContact CB-CG2 3.95Å; S974-V978 PolarHBondContact O-N 3.48Å; F975-V978 PolarHBondContact O-N 3.48Å; V978-S980 VanDerWaalsContact C-N 3.3Å; V978-S980 PolarHBondContact O-N 3.33Å; V978-M981 WeakPolarHBondContact O-CB 3.4Å; V978-M981 PolarHBondContact O-N 3.48Å; V978-M981 VanDerWaalsContact O-N 3.16Å; V978-I989 HydrophobicContact CG1-CG2 4.33Å
979	C	90.1	Very high	91.4	Very high	19 Å²	19	35.6 Å²	35.6	13%	0.128	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-36.2	175.1	-66.9	0	0	0	0	112.2	F975 A976 M981 T982 I989	F975-C979 WeakPolarHBondContact CE1-SG 3.43Å; F975-C979 VanDerWaalsContact CZ-SG 3.56Å; F975-C979 PolarHBondContact O-N 3.34Å; F975-C979 PolarHBondContact O-SG 3.37Å; A976-C979 PolarHBondContact O-N 3.33Å; C979-M981 PolarHBondContact O-N 3.22Å; C979-T982 PolarHBondContact O-N 3.41Å; C979-I989 HydrophobicContact CB-CD1 4.46Å
980	S	88.9	Confident	91.2	Very high	98 Å²	98	35.6 Å²	35.6	69%	0.685	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.7	177.6	77.5	0	0	0	0	114.9	A976 S977 V978 T982	A976-S980 PolarHBondContact O-N 3.07Å; A976-S980 VanDerWaalsContact O-N 3.1Å; S977-S980 PolarHBondContact O-N 2.92Å; S977-S980 PolarHBondContact O-OG 3Å; V978-S980 VanDerWaalsContact C-N 3.3Å; V978-S980 PolarHBondContact O-N 3.33Å; S980-T982 VanDerWaalsContact C-N 3.32Å
981	M	88.6	Confident	91	Very high	62 Å²	62	40.1 Å²	40.1	31%	0.305	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.4	178.8	-61.6	172.8	59.6	0	0	113	D964 L965 A968 S977 V978 C979	D964-M981 HydrophobicContact CB-CE 4.36Å; L965-M981 HydrophobicContact CB-CE 4.49Å; A968-M981 HydrophobicContact CB-CE 4.28Å; A968-M981 HydrophobicContact CB-SD 4.02Å; S977-M981 WeakPolarHBondContact O-CG 3.39Å; V978-M981 WeakPolarHBondContact O-CB 3.4Å; V978-M981 PolarHBondContact O-N 3.48Å; V978-M981 VanDerWaalsContact O-N 3.16Å; C979-M981 PolarHBondContact O-N 3.22Å
982	T	88.4	Confident	90.9	Very high	25 Å²	25	33.8 Å²	33.8	15%	0.153	21%	0.207	C	C	.	.			trans	-146.8	157.3	-173.4	-174.6	0	0	0	0	111.6	L965 C979 S980 L984 I989	L965-T982 HydrophobicContact CD1-CG2 3.64Å; C979-T982 PolarHBondContact O-N 3.41Å; S980-T982 VanDerWaalsContact C-N 3.32Å; T982-L984 VanDerWaalsContact C-N 3.31Å; T982-L984 HydrophobicContact CG2-CB 4.04Å; T982-L984 WeakPolarHBondContact OG1-CD1 3.31Å; T982-L984 VanDerWaalsContact OG1-CG 3.29Å; T982-L984 WeakPolarHBondContact OG1-CG 3.35Å; T982-L984 PolarHBondContact OG1-N 3.05Å; T982-I989 HydrophobicContact CG2-CD1 3.67Å; T982-I989 HydrophobicContact CG2-CG1 4.36Å
983	D	87.6	Confident	91	Very high	96 Å²	96	31.5 Å²	31.5	51%	0.513	18%	0.183	S	C	.	.	S	Bend	trans	-90.1	3.4	173.2	67.6	-39.4	0	0	0	113.1	S915	S915-D983 PolarHBondContact OG-OD2 3.01Å
984	L	90.3	Very high	90.9	Very high	20 Å²	20	33 Å²	33	11%	0.105	18%	0.183	C	C	.	.	S	Bend	trans	-73.5	150.4	179.2	-64.3	170.2	0	0	0	112	F910 A914 L962 T982	F910-L984 HydrophobicContact CE2-CD1 3.64Å; F910-L984 HydrophobicContact CE2-CD2 4.38Å; F910-L984 HydrophobicContact CZ-CD1 3.71Å; F910-L984 HydrophobicContact CZ-CD2 4.19Å; A914-L984 HydrophobicContact CB-CD1 4.48Å; A914-L984 HydrophobicContact CB-CD2 4.43Å; L962-L984 HydrophobicContact CD2-CD1 3.71Å; L962-L984 HydrophobicContact CG-CD1 4.42Å; T982-L984 VanDerWaalsContact C-N 3.31Å; T982-L984 HydrophobicContact CG2-CB 4.04Å; T982-L984 WeakPolarHBondContact OG1-CD1 3.31Å; T982-L984 VanDerWaalsContact OG1-CG 3.29Å; T982-L984 WeakPolarHBondContact OG1-CG 3.35Å; T982-L984 PolarHBondContact OG1-N 3.05Å
985	F	91	Very high	90.9	Very high	46 Å²	46	34.2 Å²	34.2	20%	0.202	19%	0.186	C	C	.	.			trans	-65.4	143.9	172.3	-65.3	-79.1	0	0	0	111.7	K377 K378 E381 G439 G987 T988 I989	K377-F985 HydrophobicContact CB-CE2 3.83Å; K377-F985 HydrophobicContact CB-CZ 4.06Å; K377-F985 HydrophobicContact CD-CD2 4.08Å; K377-F985 HydrophobicContact CD-CE2 4.08Å; K378-F985 HydrophobicContact CB-CZ 4.49Å; E381-F985 VanDerWaalsContact OE1-CE1 3.24Å; E381-F985 WeakPolarHBondContact OE1-CE1 3.41Å; G439-F985 WeakPolarHBondContact O-CB 3.35Å; F985-G987 VanDerWaalsContact C-N 3.26Å; F985-G987 PolarHBondContact O-N 3.35Å; F985-T988 WeakPolarHBondContact O-CB 3.09Å; F985-T988 PolarHBondContact O-N 2.92Å; F985-I989 PolarHBondContact O-N 3.31Å
986	E	92	Very high	91.1	Very high	23 Å²	23	34.2 Å²	34.2	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-38.3	-176.8	-61.4	92.2	151.8	0	0	112.4	Q421 L441 F975 T988 I989 I990	Q421-E986 WeakPolarHBondContact CB-OE1 3.4Å; Q421-E986 PolarHBondContact NE2-OE2 3.37Å; Q421-E986 VanDerWaalsContact NE2-OE2 3.08Å; L441-E986 HydrophobicContact CD2-CB 3.82Å; L441-E986 HydrophobicContact CG-CB 4.22Å; F975-E986 HydrophobicContact CE1-CB 4.03Å; F975-E986 HydrophobicContact CE1-CG 4.3Å; F975-E986 HydrophobicContact CZ-CB 4.17Å; E986-T988 VanDerWaalsContact C-N 3.32Å; E986-T988 PolarHBondContact O-N 3.16Å; E986-I989 PolarHBondContact O-N 3.39Å; E986-I990 PolarHBondContact O-N 3.13Å
987	G	91	Very high	91.3	Very high	1 Å²	1	33 Å²	33	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-67.3	-28	176.7	0	0	0	0	0	114.3	G439 L440 F985 R991	G439-G987 VanDerWaalsContact O-CA 3.26Å; G439-G987 WeakPolarHBondContact O-CA 3.46Å; G439-G987 PolarHBondContact O-N 3.28Å; L440-G987 WeakPolarHBondContact O-CA 3.27Å; F985-G987 VanDerWaalsContact C-N 3.26Å; F985-G987 PolarHBondContact O-N 3.35Å; G987-R991 WeakPolarHBondContact O-CB 3.48Å; G987-R991 PolarHBondContact O-N 3.45Å
988	T	91.6	Very high	91.4	Very high	2 Å²	2	33 Å²	33	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-69.5	-39.5	173.4	-68.7	0	0	0	0	110.4	F910 E912 F985 E986 R991 T992	F910-T988 HydrophobicContact CE2-CG2 4.28Å; E912-T988 HydrophobicContact CG-CG2 4.14Å; E912-T988 WeakPolarHBondContact OE1-CG2 3.48Å; E912-T988 PolarHBondContact OE1-OG1 3.45Å; F985-T988 WeakPolarHBondContact O-CB 3.09Å; F985-T988 PolarHBondContact O-N 2.92Å; E986-T988 VanDerWaalsContact C-N 3.32Å; E986-T988 PolarHBondContact O-N 3.16Å; T988-R991 PolarHBondContact O-N 3.4Å; T988-T992 PolarHBondContact O-N 3.2Å; T988-T992 PolarHBondContact O-OG1 3.08Å
989	I	93.3	Very high	91.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-50	175.2	-57.1	169.8	0	0	0	110	L965 F975 V978 C979 T982 F985 E986 R991 T992 L993	L965-I989 HydrophobicContact CD1-CD1 4.24Å; L965-I989 HydrophobicContact CD2-CG2 4.01Å; F975-I989 HydrophobicContact CE2-CB 4.33Å; F975-I989 HydrophobicContact CE2-CG2 3.9Å; F975-I989 HydrophobicContact CZ-CB 4.43Å; F975-I989 HydrophobicContact CZ-CG2 4.47Å; V978-I989 HydrophobicContact CG1-CG2 4.33Å; C979-I989 HydrophobicContact CB-CD1 4.46Å; T982-I989 HydrophobicContact CG2-CD1 3.67Å; T982-I989 HydrophobicContact CG2-CG1 4.36Å; F985-I989 PolarHBondContact O-N 3.31Å; E986-I989 PolarHBondContact O-N 3.39Å; I989-R991 VanDerWaalsContact C-N 3.35Å; I989-R991 PolarHBondContact O-N 2.91Å; I989-T992 PolarHBondContact O-N 2.95Å; I989-L993 HydrophobicContact CG2-CD1 4.04Å; I989-L993 HydrophobicContact CG2-CG 4.42Å; I989-L993 WeakPolarHBondContact O-CG 3.44Å; I989-L993 PolarHBondContact O-N 2.89Å
990	I	91.9	Very high	91.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-44.6	178.4	-67.8	-174.3	0	0	0	111.7	L441 P442 F975 E986 T992 L993 R994 I1030 V1031	L441-I990 HydrophobicContact CD2-CD1 3.26Å; L441-I990 HydrophobicContact CD2-CG1 4.29Å; P442-I990 HydrophobicContact CG-CG2 3.84Å; F975-I990 HydrophobicContact CE2-CG1 3.88Å; F975-I990 HydrophobicContact CZ-CD1 4.05Å; F975-I990 HydrophobicContact CZ-CG1 3.67Å; E986-I990 PolarHBondContact O-N 3.13Å; I990-T992 VanDerWaalsContact C-N 3.33Å; I990-T992 PolarHBondContact O-N 3.14Å; I990-L993 PolarHBondContact O-N 3.16Å; I990-R994 HydrophobicContact CG2-CG 4.41Å; I990-R994 WeakPolarHBondContact O-CG 3.32Å; I990-R994 PolarHBondContact O-N 3.16Å; I990-I1030 HydrophobicContact CD1-CG1 4.03Å; I990-I1030 HydrophobicContact CD1-CG2 4.26Å; I990-V1031 HydrophobicContact CG2-CG1 4.35Å
991	R	90	Very high	92.2	Very high	102 Å²	102	32.6 Å²	32.6	39%	0.385	15%	0.149	S	C	.	.	H	α-helix	trans	-58.6	-46.9	177.3	-177.8	-175.8	-61.1	99.6	16.2	111.1	G438 G987 T988 I989 L993 R994 L995	G438-R991 VanDerWaalsContact O-CZ 3.25Å; G438-R991 PolarHBondContact O-NH1 3.42Å; G438-R991 PolarHBondContact O-NH2 3.01Å; G987-R991 WeakPolarHBondContact O-CB 3.48Å; G987-R991 PolarHBondContact O-N 3.45Å; T988-R991 PolarHBondContact O-N 3.4Å; I989-R991 VanDerWaalsContact C-N 3.35Å; I989-R991 PolarHBondContact O-N 2.91Å; R991-L993 PolarHBondContact O-N 2.84Å; R991-R994 PolarHBondContact O-N 3.47Å; R991-L995 HydrophobicContact CG-CD1 4.06Å; R991-L995 HydrophobicContact CG-CG 4.47Å; R991-L995 WeakPolarHBondContact O-CG 3.27Å; R991-L995 PolarHBondContact O-N 3.45Å
992	T	92.7	Very high	92.5	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-45.1	179.5	-51.2	0	0	0	0	110.7	V909 F910 L962 T988 I989 I990 R994 L995 L996	V909-T992 HydrophobicContact CB-CG2 4.45Å; V909-T992 HydrophobicContact CG2-CG2 3.61Å; F910-T992 HydrophobicContact CB-CG2 4.21Å; L962-T992 HydrophobicContact CD1-CG2 3.59Å; T988-T992 PolarHBondContact O-N 3.2Å; T988-T992 PolarHBondContact O-OG1 3.08Å; I989-T992 PolarHBondContact O-N 2.95Å; I990-T992 VanDerWaalsContact C-N 3.33Å; I990-T992 PolarHBondContact O-N 3.14Å; T992-R994 VanDerWaalsContact C-N 3.32Å; T992-R994 PolarHBondContact O-N 2.65Å; T992-L995 PolarHBondContact O-N 3.27Å; T992-L996 VanDerWaalsContact O-CB 3.28Å; T992-L996 WeakPolarHBondContact O-CB 3.32Å; T992-L996 PolarHBondContact O-N 3.06Å
993	L	94.5	Very high	92.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-34.5	178.8	-68.4	175.1	0	0	0	112.9	V966 W969 I989 I990 R991 E997 I1026 V1031	V966-L993 HydrophobicContact CG2-CD2 3.96Å; W969-L993 HydrophobicContact CD2-CD1 4.41Å; W969-L993 HydrophobicContact CG-CD1 4.36Å; I989-L993 HydrophobicContact CG2-CD1 4.04Å; I989-L993 HydrophobicContact CG2-CG 4.42Å; I989-L993 WeakPolarHBondContact O-CG 3.44Å; I989-L993 PolarHBondContact O-N 2.89Å; I990-L993 PolarHBondContact O-N 3.16Å; R991-L993 PolarHBondContact O-N 2.84Å; L993-E997 PolarHBondContact O-N 3.32Å; L993-I1026 HydrophobicContact CB-CG2 4.37Å; L993-I1026 HydrophobicContact CD2-CG2 4.44Å; L993-V1031 HydrophobicContact CB-CG1 3.56Å; L993-V1031 HydrophobicContact CD1-CG1 4.13Å; L993-V1031 HydrophobicContact CD1-CG2 3.62Å
994	R	91.6	Very high	93.3	Very high	58 Å²	58	24.5 Å²	24.5	22%	0.219	11%	0.106	C	C	.	.	H	α-helix	trans	-68	-45.2	172.7	-72	-179.3	-179.7	-166.8	-3.5	112	I990 R991 T992 L996 E997 E998 V1031 F1032 A1033	I990-R994 HydrophobicContact CG2-CG 4.41Å; I990-R994 WeakPolarHBondContact O-CG 3.32Å; I990-R994 PolarHBondContact O-N 3.16Å; R991-R994 PolarHBondContact O-N 3.47Å; T992-R994 VanDerWaalsContact C-N 3.32Å; T992-R994 PolarHBondContact O-N 2.65Å; R994-L996 VanDerWaalsContact C-N 3.27Å; R994-L996 PolarHBondContact O-N 3.39Å; R994-E997 PolarHBondContact O-N 3.1Å; R994-E998 PolarHBondContact O-N 3.27Å; R994-E998 VanDerWaalsContact O-N 3.08Å; R994-V1031 HydrophobicContact CG-CG1 4.29Å; R994-V1031 VanDerWaalsContact CZ-O 3.29Å; R994-V1031 PolarHBondContact NE-O 2.86Å; R994-V1031 PolarHBondContact NH2-O 3.42Å; R994-F1032 HydrophobicContact CG-CE1 4.25Å; R994-F1032 HydrophobicContact CG-CZ 4.47Å; R994-A1033 PolarHBondContact NH2-O 3.13Å
995	L	92.4	Very high	93.5	Very high	65 Å²	65	25.7 Å²	25.7	34%	0.34	11%	0.113	S	C	.	.	H	α-helix	trans	-62.5	-37.1	174.8	-70.3	172	0	0	0	111.7	V909 R991 T992 E998 L999	V909-L995 HydrophobicContact CB-CB 3.97Å; V909-L995 HydrophobicContact CG1-CB 4.02Å; R991-L995 HydrophobicContact CG-CD1 4.06Å; R991-L995 HydrophobicContact CG-CG 4.47Å; R991-L995 WeakPolarHBondContact O-CG 3.27Å; R991-L995 PolarHBondContact O-N 3.45Å; T992-L995 PolarHBondContact O-N 3.27Å; L995-E998 PolarHBondContact O-N 3.47Å; L995-L999 WeakPolarHBondContact O-CB 3.19Å; L995-L999 PolarHBondContact O-N 2.93Å
996	L	95.7	Very high	93.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-39.1	175.6	-177.8	56.3	0	0	0	112.1	L905 V909 V966 T992 R994 L999 L1000 I1026	L905-L996 HydrophobicContact CB-CD1 3.52Å; V909-L996 HydrophobicContact CG2-CB 4.09Å; V909-L996 HydrophobicContact CG2-CD1 4.45Å; V966-L996 HydrophobicContact CG1-CD2 3.78Å; V966-L996 HydrophobicContact CG2-CD2 4.27Å; T992-L996 VanDerWaalsContact O-CB 3.28Å; T992-L996 WeakPolarHBondContact O-CB 3.32Å; T992-L996 PolarHBondContact O-N 3.06Å; R994-L996 VanDerWaalsContact C-N 3.27Å; R994-L996 PolarHBondContact O-N 3.39Å; L996-L999 PolarHBondContact O-N 3.33Å; L996-L1000 HydrophobicContact CG-CD1 4.23Å; L996-L1000 WeakPolarHBondContact O-CB 3.43Å; L996-L1000 VanDerWaalsContact O-CG 3.3Å; L996-L1000 WeakPolarHBondContact O-CG 3.47Å; L996-L1000 PolarHBondContact O-N 3.01Å; L996-I1026 HydrophobicContact CD2-CD1 3.6Å; L996-I1026 HydrophobicContact CG-CD1 3.75Å
997	E	94.6	Very high	93.9	Very high	15 Å²	15	22.4 Å²	22.4	7%	0.07	10%	0.098	C	C	.	.	H	α-helix	trans	-66.3	-41.4	175.4	-175.5	-88.8	162.9	0	0	112.3	L993 R994 L1000 R1001 I1023 I1026 F1032	L993-E997 PolarHBondContact O-N 3.32Å; R994-E997 PolarHBondContact O-N 3.1Å; E997-L1000 PolarHBondContact O-N 3.31Å; E997-R1001 PolarHBondContact O-N 2.98Å; E997-R1001 IonicContact OE1-CZ 2.69Å; E997-R1001 IonicContact OE1-NE 2.88Å; E997-R1001 IonicContact OE1-NH2 2.92Å; E997-R1001 PolarHBondContact OE1-NH2 3.04Å; E997-I1023 HydrophobicContact CG-CG1 4.48Å; E997-I1023 HydrophobicContact CG-CG2 3.91Å; E997-I1026 HydrophobicContact CB-CG2 4.49Å; E997-F1032 HydrophobicContact CB-CE1 3.98Å; E997-F1032 HydrophobicContact CB-CZ 3.58Å; E997-F1032 HydrophobicContact CG-CE1 3.9Å; E997-F1032 HydrophobicContact CG-CZ 3.76Å
998	E	91.7	Very high	94.2	Very high	51 Å²	51	28.6 Å²	28.6	24%	0.238	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-46.4	172.3	177.6	53.5	-148.3	0	0	110.9	R994 L995 L1000 R1001 Q1002	R994-E998 PolarHBondContact O-N 3.27Å; R994-E998 VanDerWaalsContact O-N 3.08Å; L995-E998 PolarHBondContact O-N 3.47Å; E998-L1000 VanDerWaalsContact C-N 3.33Å; E998-L1000 PolarHBondContact O-N 3.08Å; E998-R1001 WeakPolarHBondContact O-CB 3.45Å; E998-R1001 PolarHBondContact O-N 2.9Å; E998-R1001 VanDerWaalsContact O-N 3.17Å; E998-Q1002 WeakPolarHBondContact O-CG 3.39Å; E998-Q1002 PolarHBondContact O-N 3.19Å; E998-Q1002 PolarHBondContact OE1-NE2 2.68Å
999	L	95.9	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-42.8	175.8	179.6	56.7	0	0	0	111.8	I876 A879 L884 L905 F908 V909 L995 L996 R1001 Q1002 M1003	I876-L999 HydrophobicContact CG2-CD1 4.28Å; A879-L999 HydrophobicContact CB-CD1 3.61Å; A879-L999 HydrophobicContact CB-CD2 3.9Å; A879-L999 HydrophobicContact CB-CG 4.39Å; L884-L999 HydrophobicContact CD1-CD1 3.77Å; L884-L999 HydrophobicContact CD1-CD2 4.41Å; L905-L999 HydrophobicContact CB-CD2 4.31Å; L905-L999 HydrophobicContact CD2-CD2 4.32Å; F908-L999 HydrophobicContact CB-CD2 3.91Å; V909-L999 HydrophobicContact CG1-CB 4.29Å; V909-L999 HydrophobicContact CG1-CD2 3.87Å; L995-L999 WeakPolarHBondContact O-CB 3.19Å; L995-L999 PolarHBondContact O-N 2.93Å; L996-L999 PolarHBondContact O-N 3.33Å; L999-R1001 VanDerWaalsContact C-N 3.3Å; L999-R1001 PolarHBondContact O-N 2.93Å; L999-Q1002 WeakPolarHBondContact O-CB 3.32Å; L999-Q1002 PolarHBondContact O-N 2.95Å; L999-M1003 HydrophobicContact CD1-CG 4.34Å; L999-M1003 HydrophobicContact CG-CG 4.44Å; L999-M1003 VanDerWaalsContact O-CG 3.28Å; L999-M1003 WeakPolarHBondContact O-CG 3.43Å; L999-M1003 PolarHBondContact O-N 3.42Å
1000	L	97.1	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-35.8	177.2	-79.5	164.6	0	0	0	112.5	I901 L905 L996 E997 E998 Q1002 M1003 A1004 F1019 A1022 I1023 I1026	I901-L1000 HydrophobicContact CG2-CD2 4.22Å; L905-L1000 HydrophobicContact CD1-CD2 3.46Å; L905-L1000 VanDerWaalsContact CD1-CD2 3.46Å; L905-L1000 HydrophobicContact CD1-CG 4.12Å; L996-L1000 HydrophobicContact CG-CD1 4.23Å; L996-L1000 WeakPolarHBondContact O-CB 3.43Å; L996-L1000 VanDerWaalsContact O-CG 3.3Å; L996-L1000 WeakPolarHBondContact O-CG 3.47Å; L996-L1000 PolarHBondContact O-N 3.01Å; E997-L1000 PolarHBondContact O-N 3.31Å; E998-L1000 VanDerWaalsContact C-N 3.33Å; E998-L1000 PolarHBondContact O-N 3.08Å; L1000-Q1002 VanDerWaalsContact C-N 3.34Å; L1000-M1003 PolarHBondContact O-N 3.15Å; L1000-A1004 WeakPolarHBondContact O-CB 3.08Å; L1000-A1004 PolarHBondContact O-N 3.12Å; L1000-F1019 HydrophobicContact CD2-CD1 3.79Å; L1000-A1022 HydrophobicContact CD1-CB 3.96Å; L1000-A1022 HydrophobicContact CD2-CB 3.88Å; L1000-I1023 HydrophobicContact CB-CD1 4.03Å; L1000-I1023 HydrophobicContact CB-CG1 3.51Å; L1000-I1023 HydrophobicContact CD1-CG1 4.24Å; L1000-I1023 HydrophobicContact CG-CG1 4.48Å; L1000-I1026 HydrophobicContact CD1-CD1 3.32Å
1001	R	94.7	Very high	94.3	Very high	109 Å²	109	36 Å²	36	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-64	-41.7	174.2	-176.9	-175.5	-63.3	-94.1	-5.4	111	E997 E998 L999 A1004 N1005 I1023	E997-R1001 PolarHBondContact O-N 2.98Å; E997-R1001 IonicContact OE1-CZ 2.69Å; E997-R1001 IonicContact OE1-NE 2.88Å; E997-R1001 IonicContact OE1-NH2 2.92Å; E997-R1001 PolarHBondContact OE1-NH2 3.04Å; E998-R1001 WeakPolarHBondContact O-CB 3.45Å; E998-R1001 PolarHBondContact O-N 2.9Å; E998-R1001 VanDerWaalsContact O-N 3.17Å; L999-R1001 VanDerWaalsContact C-N 3.3Å; L999-R1001 PolarHBondContact O-N 2.93Å; R1001-A1004 PolarHBondContact O-N 3.29Å; R1001-N1005 PolarHBondContact O-N 2.87Å; R1001-N1005 PolarHBondContact O-ND2 3.06Å; R1001-I1023 HydrophobicContact CB-CD1 4.2Å
1002	Q	94.7	Very high	94.5	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-44.3	172.6	-68.5	176.5	19.2	0	0	111.5	E875 T877 S878 E998 L999 L1000 A1004 N1005 A1006	E875-Q1002 VanDerWaalsContact O-CB 3.28Å; E875-Q1002 WeakPolarHBondContact O-CB 3.22Å; E875-Q1002 WeakPolarHBondContact O-CG 3.18Å; T877-Q1002 PolarHBondContact OG1-NE2 3.34Å; T877-Q1002 PolarHBondContact OG1-OE1 3.36Å; S878-Q1002 VanDerWaalsContact N-OE1 3.08Å; S878-Q1002 PolarHBondContact OG-NE2 3.44Å; S878-Q1002 PolarHBondContact OG-OE1 2.83Å; S878-Q1002 VanDerWaalsContact OG-OE1 3.13Å; E998-Q1002 WeakPolarHBondContact O-CG 3.39Å; E998-Q1002 PolarHBondContact O-N 3.19Å; E998-Q1002 PolarHBondContact OE1-NE2 2.68Å; L999-Q1002 WeakPolarHBondContact O-CB 3.32Å; L999-Q1002 PolarHBondContact O-N 2.95Å; L1000-Q1002 VanDerWaalsContact C-N 3.34Å; Q1002-A1004 VanDerWaalsContact C-N 3.32Å; Q1002-A1004 PolarHBondContact O-N 3.25Å; Q1002-N1005 WeakPolarHBondContact O-CB 3.27Å; Q1002-N1005 PolarHBondContact O-N 3.36Å; Q1002-N1005 VanDerWaalsContact O-N 3.16Å; Q1002-A1006 WeakPolarHBondContact O-CB 3.35Å; Q1002-A1006 PolarHBondContact O-N 2.66Å
1003	M	97.3	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-34.7	175.4	-68.3	-59.1	-67	0	0	112.9	I876 L884 L888 F893 L905 L999 L1000 A1006 A1007 F1019	I876-M1003 HydrophobicContact CD1-SD 3.7Å; I876-M1003 HydrophobicContact CG1-SD 4.21Å; L884-M1003 HydrophobicContact CB-SD 4.18Å; L884-M1003 HydrophobicContact CD1-SD 4.22Å; L884-M1003 HydrophobicContact CD2-CE 4.49Å; L884-M1003 HydrophobicContact CD2-SD 4.3Å; L884-M1003 HydrophobicContact CG-SD 4.49Å; L888-M1003 HydrophobicContact CD1-CE 4.1Å; L888-M1003 HydrophobicContact CD2-CE 4.32Å; F893-M1003 HydrophobicContact CD2-CE 4.39Å; F893-M1003 HydrophobicContact CE2-CE 3.83Å; F893-M1003 HydrophobicContact CZ-CE 4.16Å; L905-M1003 HydrophobicContact CD1-CG 4.16Å; L999-M1003 HydrophobicContact CD1-CG 4.34Å; L999-M1003 HydrophobicContact CG-CG 4.44Å; L999-M1003 VanDerWaalsContact O-CG 3.28Å; L999-M1003 WeakPolarHBondContact O-CG 3.43Å; L999-M1003 PolarHBondContact O-N 3.42Å; L1000-M1003 PolarHBondContact O-N 3.15Å; M1003-A1006 PolarHBondContact O-N 3.26Å; M1003-A1007 WeakPolarHBondContact O-CB 3.47Å; M1003-A1007 PolarHBondContact O-N 3.48Å; M1003-F1019 HydrophobicContact CB-CD1 3.87Å; M1003-F1019 HydrophobicContact CB-CD2 4.05Å; M1003-F1019 HydrophobicContact CB-CE1 3.86Å; M1003-F1019 HydrophobicContact CB-CE2 4.04Å; M1003-F1019 HydrophobicContact CB-CG 3.98Å; M1003-F1019 HydrophobicContact CB-CZ 3.96Å; M1003-F1019 HydrophobicContact CE-CE1 4.24Å; M1003-F1019 HydrophobicContact CE-CE2 4.4Å; M1003-F1019 HydrophobicContact CE-CZ 3.75Å; M1003-F1019 HydrophobicContact CG-CE1 4.43Å; M1003-F1019 WeakPolarHBondContact O-CD2 3.13Å
1004	A	96.5	Very high	94.6	Very high	4 Å²	4	42 Å²	42	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-41.8	173.1	0	0	0	0	0	111.7	L1000 R1001 Q1002 A1007 R1008 F1019 V1020	L1000-A1004 WeakPolarHBondContact O-CB 3.08Å; L1000-A1004 PolarHBondContact O-N 3.12Å; R1001-A1004 PolarHBondContact O-N 3.29Å; Q1002-A1004 VanDerWaalsContact C-N 3.32Å; Q1002-A1004 PolarHBondContact O-N 3.25Å; A1004-A1007 PolarHBondContact O-N 3.29Å; A1004-R1008 PolarHBondContact O-N 2.95Å; A1004-F1019 HydrophobicContact CB-CB 3.94Å; A1004-V1020 HydrophobicContact CB-CG2 4.28Å
1005	N	94.3	Very high	94.8	Very high	44 Å²	44	39.6 Å²	39.6	24%	0.235	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-43.1	173.1	-67.9	-27.5	0	0	0	111.4	E875 R1001 Q1002 A1007 R1008 T1009	E875-N1005 HydrophobicContact CB-CB 4.31Å; E875-N1005 HydrophobicContact CG-CB 4.39Å; R1001-N1005 PolarHBondContact O-N 2.87Å; R1001-N1005 PolarHBondContact O-ND2 3.06Å; Q1002-N1005 WeakPolarHBondContact O-CB 3.27Å; Q1002-N1005 PolarHBondContact O-N 3.36Å; Q1002-N1005 VanDerWaalsContact O-N 3.16Å; N1005-A1007 VanDerWaalsContact C-N 3.34Å; N1005-A1007 PolarHBondContact O-N 3.04Å; N1005-R1008 WeakPolarHBondContact O-CB 3.42Å; N1005-R1008 PolarHBondContact O-N 3.4Å; N1005-R1008 VanDerWaalsContact O-N 3.13Å; N1005-R1008 PolarHBondContact OD1-NH1 2.83Å; N1005-T1009 PolarHBondContact O-N 3.18Å; N1005-T1009 PolarHBondContact O-OG1 2.97Å
1006	A	95.4	Very high	95	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-44.7	174.3	0	0	0	0	0	111.7	V872 E875 I876 L888 Q1002 M1003 R1008 T1009 I1010	V872-A1006 HydrophobicContact CG1-CB 3.85Å; E875-A1006 HydrophobicContact CB-CB 4.22Å; I876-A1006 HydrophobicContact CG1-CB 4.42Å; L888-A1006 HydrophobicContact CD2-CB 4.25Å; Q1002-A1006 WeakPolarHBondContact O-CB 3.35Å; Q1002-A1006 PolarHBondContact O-N 2.66Å; M1003-A1006 PolarHBondContact O-N 3.26Å; A1006-R1008 VanDerWaalsContact C-N 3.33Å; A1006-R1008 PolarHBondContact O-N 3.48Å; A1006-T1009 WeakPolarHBondContact O-CB 2.95Å; A1006-T1009 PolarHBondContact O-N 2.93Å; A1006-I1010 WeakPolarHBondContact O-CG1 3.34Å; A1006-I1010 PolarHBondContact O-N 2.94Å
1007	A	96.2	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-36.5	175.1	0	0	0	0	0	113	M1003 A1004 N1005 I1010 G1011 S1012 L1015 E1016 F1019	M1003-A1007 WeakPolarHBondContact O-CB 3.47Å; M1003-A1007 PolarHBondContact O-N 3.48Å; A1004-A1007 PolarHBondContact O-N 3.29Å; N1005-A1007 VanDerWaalsContact C-N 3.34Å; N1005-A1007 PolarHBondContact O-N 3.04Å; A1007-I1010 PolarHBondContact O-N 3.4Å; A1007-G1011 PolarHBondContact O-N 2.66Å; A1007-G1011 VanDerWaalsContact O-N 3.08Å; A1007-S1012 PolarHBondContact O-N 2.74Å; A1007-L1015 HydrophobicContact CB-CB 3.77Å; A1007-E1016 HydrophobicContact CB-CB 4.18Å; A1007-F1019 HydrophobicContact CB-CD2 3.95Å; A1007-F1019 HydrophobicContact CB-CE2 3.97Å
1008	R	95.5	Very high	95.2	Very high	131 Å²	131	47.2 Å²	47.2	49%	0.494	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-42.5	173.5	-170.3	-173.6	-57.6	125.3	9.3	111.3	A1004 N1005 A1006 I1010 G1011 E1016	A1004-R1008 PolarHBondContact O-N 2.95Å; N1005-R1008 WeakPolarHBondContact O-CB 3.42Å; N1005-R1008 PolarHBondContact O-N 3.4Å; N1005-R1008 VanDerWaalsContact O-N 3.13Å; N1005-R1008 PolarHBondContact OD1-NH1 2.83Å; A1006-R1008 VanDerWaalsContact C-N 3.33Å; A1006-R1008 PolarHBondContact O-N 3.48Å; R1008-I1010 VanDerWaalsContact C-N 3.31Å; R1008-I1010 PolarHBondContact O-N 2.77Å; R1008-G1011 WeakPolarHBondContact O-CA 3.25Å; R1008-G1011 PolarHBondContact O-N 2.94Å; R1008-E1016 IonicContact CZ-OE1 3.34Å; R1008-E1016 VanDerWaalsContact CZ-OE1 3.3Å; R1008-E1016 IonicContact NE-OE1 4Å; R1008-E1016 PolarHBondContact NE-OE1 3.41Å; R1008-E1016 IonicContact NH2-OE1 3.04Å; R1008-E1016 PolarHBondContact NH2-OE1 3Å
1009	T	93	Very high	95.5	Very high	55 Å²	55	44.8 Å²	44.8	34%	0.337	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-35.8	175.5	-59.4	0	0	0	0	112.1	C871 V872 N1005 A1006 G1011	C871-T1009 HydrophobicContact CB-CG2 4.13Å; V872-T1009 HydrophobicContact CG2-CG2 4.01Å; N1005-T1009 PolarHBondContact O-N 3.18Å; N1005-T1009 PolarHBondContact O-OG1 2.97Å; A1006-T1009 WeakPolarHBondContact O-CB 2.95Å; A1006-T1009 PolarHBondContact O-N 2.93Å; T1009-G1011 VanDerWaalsContact C-N 3.25Å; T1009-G1011 PolarHBondContact O-N 3.34Å
1010	I	93.3	Very high	95.6	Very high	52 Å²	52	47.4 Å²	47.4	27%	0.267	25%	0.246	S	C	.	.	H	α-helix	trans	-67.3	-26.3	170.3	-67.2	-179.7	0	0	0	112.2	V872 L888 F889 A1006 A1007 R1008	V872-I1010 HydrophobicContact CB-CG1 4.48Å; V872-I1010 HydrophobicContact CG1-CD1 4.1Å; V872-I1010 HydrophobicContact CG1-CG1 4.23Å; V872-I1010 HydrophobicContact CG2-CD1 4.08Å; V872-I1010 HydrophobicContact CG2-CG1 3.38Å; L888-I1010 HydrophobicContact CB-CD1 4.5Å; L888-I1010 HydrophobicContact CD2-CD1 3.26Å; L888-I1010 HydrophobicContact CD2-CG1 4.44Å; L888-I1010 HydrophobicContact CG-CD1 3.53Å; F889-I1010 HydrophobicContact CD2-CD1 4.39Å; F889-I1010 HydrophobicContact CE2-CD1 3.88Å; F889-I1010 HydrophobicContact CE2-CG1 4.35Å; F889-I1010 HydrophobicContact CZ-CD1 4.14Å; F889-I1010 HydrophobicContact CZ-CG1 4.24Å; A1006-I1010 WeakPolarHBondContact O-CG1 3.34Å; A1006-I1010 PolarHBondContact O-N 2.94Å; A1007-I1010 PolarHBondContact O-N 3.4Å; R1008-I1010 VanDerWaalsContact C-N 3.31Å; R1008-I1010 PolarHBondContact O-N 2.77Å
1011	G	93.3	Very high	95.6	Very high	54 Å²	54	51.1 Å²	51.1	56%	0.557	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	19.3	-171.4	0	0	0	0	0	113.9	A1007 R1008 T1009 N1013	A1007-G1011 PolarHBondContact O-N 2.66Å; A1007-G1011 VanDerWaalsContact O-N 3.08Å; R1008-G1011 WeakPolarHBondContact O-CA 3.25Å; R1008-G1011 PolarHBondContact O-N 2.94Å; T1009-G1011 VanDerWaalsContact C-N 3.25Å; T1009-G1011 PolarHBondContact O-N 3.34Å; G1011-N1013 PolarHBondContact O-N 2.95Å
1012	S	94.2	Very high	95.7	Very high	28 Å²	28	46 Å²	46	20%	0.196	24%	0.244	C	C	.	.			trans	-94.9	89.7	179.4	-175.5	0	0	0	0	112	A1007 V1014 L1015 E1016	A1007-S1012 PolarHBondContact O-N 2.74Å; S1012-V1014 PolarHBondContact O-N 3.31Å; S1012-V1014 VanDerWaalsContact O-N 3.16Å; S1012-L1015 PolarHBondContact O-N 3.34Å; S1012-L1015 PolarHBondContact OG-N 3.11Å; S1012-E1016 PolarHBondContact O-N 3.39Å
1013	N	94.1	Very high	95.7	Very high	110 Å²	110	46.5 Å²	46.5	59%	0.588	25%	0.248	S	C	*	.	H	α-helix	trans	-59.6	-26.3	175.4	-65.3	-24.2	0	0	0	113.2	G1011 K1017	G1011-N1013 PolarHBondContact O-N 2.95Å; N1013-K1017 WeakPolarHBondContact O-CB 3.47Å; N1013-K1017 VanDerWaalsContact O-CG 3.28Å; N1013-K1017 WeakPolarHBondContact O-CG 3.25Å; N1013-K1017 PolarHBondContact O-N 3.45Å
1014	V	95.7	Very high	95.6	Very high	98 Å²	98	53 Å²	53	59%	0.594	28%	0.278	S	S	*	.	H	α-helix	trans	-70.5	-45.9	179	-179.3	0	0	0	0	110.4	S1012 K1018	S1012-V1014 PolarHBondContact O-N 3.31Å; S1012-V1014 VanDerWaalsContact O-N 3.16Å; V1014-K1018 WeakPolarHBondContact O-CG 3.4Å; V1014-K1018 PolarHBondContact O-N 3.37Å
1015	L	96	Very high	95.5	Very high	6 Å²	6	55 Å²	55	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-44	178.1	-78.7	172.3	0	0	0	111.5	L888 F893 N894 A1007 S1012 K1017 K1018 F1019	L888-L1015 HydrophobicContact CD1-CD1 3.71Å; F893-L1015 HydrophobicContact CB-CD2 3.77Å; N894-L1015 VanDerWaalsContact OD1-CD1 3.31Å; N894-L1015 WeakPolarHBondContact OD1-CD1 3.21Å; N894-L1015 WeakPolarHBondContact OD1-CD2 3.47Å; N894-L1015 VanDerWaalsContact OD1-CG 3.22Å; N894-L1015 WeakPolarHBondContact OD1-CG 3.21Å; A1007-L1015 HydrophobicContact CB-CB 3.77Å; S1012-L1015 PolarHBondContact O-N 3.34Å; S1012-L1015 PolarHBondContact OG-N 3.11Å; L1015-K1017 VanDerWaalsContact C-N 3.28Å; L1015-K1017 PolarHBondContact O-N 2.99Å; L1015-K1018 PolarHBondContact O-N 3.33Å; L1015-F1019 HydrophobicContact CB-CD2 4.35Å; L1015-F1019 HydrophobicContact CB-CE2 3.99Å; L1015-F1019 HydrophobicContact CD2-CE2 4.32Å; L1015-F1019 HydrophobicContact CD2-CZ 4.46Å; L1015-F1019 WeakPolarHBondContact O-CD2 3.49Å; L1015-F1019 PolarHBondContact O-N 3.48Å
1016	E	96.7	Very high	95.5	Very high	39 Å²	39	53 Å²	53	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-53.4	-48.1	175.9	-177.4	177.7	-163.3	0	0	110.8	A1007 R1008 S1012 K1018 F1019 V1020	A1007-E1016 HydrophobicContact CB-CB 4.18Å; R1008-E1016 IonicContact CZ-OE1 3.34Å; R1008-E1016 VanDerWaalsContact CZ-OE1 3.3Å; R1008-E1016 IonicContact NE-OE1 4Å; R1008-E1016 PolarHBondContact NE-OE1 3.41Å; R1008-E1016 IonicContact NH2-OE1 3.04Å; R1008-E1016 PolarHBondContact NH2-OE1 3Å; S1012-E1016 PolarHBondContact O-N 3.39Å; E1016-K1018 PolarHBondContact O-N 3.41Å; E1016-F1019 PolarHBondContact O-N 2.88Å; E1016-V1020 HydrophobicContact CG-CG2 4.49Å; E1016-V1020 VanDerWaalsContact O-CG2 3.29Å; E1016-V1020 WeakPolarHBondContact O-CG2 3.4Å; E1016-V1020 PolarHBondContact O-N 3.3Å
1017	K	96.9	Very high	95.2	Very high	156 Å²	156	58.4 Å²	58.4	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-60.6	-41.1	176.5	-76.3	178.3	-179	-175	0	113.3	N1013 L1015 V1020 E1021	N1013-K1017 WeakPolarHBondContact O-CB 3.47Å; N1013-K1017 VanDerWaalsContact O-CG 3.28Å; N1013-K1017 WeakPolarHBondContact O-CG 3.25Å; N1013-K1017 PolarHBondContact O-N 3.45Å; L1015-K1017 VanDerWaalsContact C-N 3.28Å; L1015-K1017 PolarHBondContact O-N 2.99Å; K1017-V1020 PolarHBondContact O-N 3.27Å; K1017-E1021 VanDerWaalsContact O-CB 3.3Å; K1017-E1021 WeakPolarHBondContact O-CB 3.27Å; K1017-E1021 PolarHBondContact O-N 3.38Å
1018	K	97.6	Very high	94.8	Very high	45 Å²	45	61 Å²	61	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-40.9	177.8	-74.4	-170.5	-179.1	-171.2	0	112.3	F893 N894 L896 I901 V1014 L1015 E1016 E1021 A1022	F893-K1018 PolarHBondContact O-NZ 2.96Å; N894-K1018 PolarHBondContact O-NZ 2.88Å; L896-K1018 PolarHBondContact O-NZ 3.44Å; I901-K1018 HydrophobicContact CD1-CB 3.91Å; I901-K1018 HydrophobicContact CD1-CD 3.82Å; V1014-K1018 WeakPolarHBondContact O-CG 3.4Å; V1014-K1018 PolarHBondContact O-N 3.37Å; L1015-K1018 PolarHBondContact O-N 3.33Å; E1016-K1018 PolarHBondContact O-N 3.41Å; K1018-E1021 PolarHBondContact O-N 2.74Å; K1018-A1022 WeakPolarHBondContact O-CB 3.41Å; K1018-A1022 PolarHBondContact O-N 3.24Å
1019	F	97.7	Very high	94.2	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-42.7	176.5	-66.4	-53.9	0	0	0	111.2	L888 F893 I901 L905 L1000 M1003 A1004 A1007 L1015 E1016 A1022 I1023	L888-F1019 HydrophobicContact CD1-CE2 4.07Å; L888-F1019 HydrophobicContact CD1-CZ 4Å; F893-F1019 HydrophobicContact CB-CZ 4.24Å; F893-F1019 HydrophobicContact CD1-CE1 4.41Å; F893-F1019 HydrophobicContact CD2-CZ 4.28Å; F893-F1019 HydrophobicContact CG-CE1 4.41Å; F893-F1019 HydrophobicContact CG-CZ 4.13Å; I901-F1019 HydrophobicContact CG2-CD1 3.73Å; I901-F1019 HydrophobicContact CG2-CE1 3.53Å; L905-F1019 HydrophobicContact CD1-CE1 4.24Å; L1000-F1019 HydrophobicContact CD2-CD1 3.79Å; M1003-F1019 HydrophobicContact CB-CD1 3.87Å; M1003-F1019 HydrophobicContact CB-CD2 4.05Å; M1003-F1019 HydrophobicContact CB-CE1 3.86Å; M1003-F1019 HydrophobicContact CB-CE2 4.04Å; M1003-F1019 HydrophobicContact CB-CG 3.98Å; M1003-F1019 HydrophobicContact CB-CZ 3.96Å; M1003-F1019 HydrophobicContact CE-CE1 4.24Å; M1003-F1019 HydrophobicContact CE-CE2 4.4Å; M1003-F1019 HydrophobicContact CE-CZ 3.75Å; M1003-F1019 HydrophobicContact CG-CE1 4.43Å; M1003-F1019 WeakPolarHBondContact O-CD2 3.13Å; A1004-F1019 HydrophobicContact CB-CB 3.94Å; A1007-F1019 HydrophobicContact CB-CD2 3.95Å; A1007-F1019 HydrophobicContact CB-CE2 3.97Å; L1015-F1019 HydrophobicContact CB-CD2 4.35Å; L1015-F1019 HydrophobicContact CB-CE2 3.99Å; L1015-F1019 HydrophobicContact CD2-CE2 4.32Å; L1015-F1019 HydrophobicContact CD2-CZ 4.46Å; L1015-F1019 WeakPolarHBondContact O-CD2 3.49Å; L1015-F1019 PolarHBondContact O-N 3.48Å; E1016-F1019 PolarHBondContact O-N 2.88Å; F1019-A1022 WeakPolarHBondContact O-CB 3.34Å; F1019-A1022 PolarHBondContact O-N 3.06Å; F1019-I1023 WeakPolarHBondContact O-CG1 3.22Å; F1019-I1023 PolarHBondContact O-N 2.92Å
1020	V	96.8	Very high	93.8	Very high	55 Å²	55	56.6 Å²	56.6	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-42.8	174.3	173.6	0	0	0	0	111.6	A1004 E1016 K1017 A1022 I1023 E1024	A1004-V1020 HydrophobicContact CB-CG2 4.28Å; E1016-V1020 HydrophobicContact CG-CG2 4.49Å; E1016-V1020 VanDerWaalsContact O-CG2 3.29Å; E1016-V1020 WeakPolarHBondContact O-CG2 3.4Å; E1016-V1020 PolarHBondContact O-N 3.3Å; K1017-V1020 PolarHBondContact O-N 3.27Å; V1020-A1022 VanDerWaalsContact C-N 3.31Å; V1020-A1022 PolarHBondContact O-N 3.17Å; V1020-I1023 WeakPolarHBondContact O-CB 3.49Å; V1020-I1023 PolarHBondContact O-N 2.6Å; V1020-I1023 VanDerWaalsContact O-N 3.16Å; V1020-E1024 WeakPolarHBondContact O-CG 3.49Å; V1020-E1024 PolarHBondContact O-N 3.21Å
1021	E	97.2	Very high	93.4	Very high	79 Å²	79	54.1 Å²	54.1	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-39.2	174.8	-170.7	-166.5	178.8	0	0	111.6	S898 K1017 K1018 E1024 K1025	S898-E1021 WeakPolarHBondContact CB-OE2 3.42Å; S898-E1021 PolarHBondContact OG-OE1 3.47Å; S898-E1021 PolarHBondContact OG-OE2 3.43Å; K1017-E1021 VanDerWaalsContact O-CB 3.3Å; K1017-E1021 WeakPolarHBondContact O-CB 3.27Å; K1017-E1021 PolarHBondContact O-N 3.38Å; K1018-E1021 PolarHBondContact O-N 2.74Å; E1021-E1024 PolarHBondContact O-N 3.21Å; E1021-K1025 WeakPolarHBondContact O-CG 3.36Å; E1021-K1025 PolarHBondContact O-N 2.74Å; E1021-K1025 VanDerWaalsContact OE1-CE 3.31Å; E1021-K1025 WeakPolarHBondContact OE1-CE 3Å; E1021-K1025 IonicContact OE1-NZ 2.69Å; E1021-K1025 PolarHBondContact OE1-NZ 3.29Å
1022	A	97.1	Very high	92.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-39.8	174.2	0	0	0	0	0	111.9	A902 L1000 K1018 F1019 V1020 K1025 I1026	A902-A1022 HydrophobicContact CB-CB 4.39Å; L1000-A1022 HydrophobicContact CD1-CB 3.96Å; L1000-A1022 HydrophobicContact CD2-CB 3.88Å; K1018-A1022 WeakPolarHBondContact O-CB 3.41Å; K1018-A1022 PolarHBondContact O-N 3.24Å; F1019-A1022 WeakPolarHBondContact O-CB 3.34Å; F1019-A1022 PolarHBondContact O-N 3.06Å; V1020-A1022 VanDerWaalsContact C-N 3.31Å; V1020-A1022 PolarHBondContact O-N 3.17Å; A1022-K1025 PolarHBondContact O-N 3.14Å; A1022-I1026 WeakPolarHBondContact O-CG1 3.43Å; A1022-I1026 PolarHBondContact O-N 2.87Å
1023	I	95.2	Very high	92.1	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-48.9	172.6	-67.5	167	0	0	0	110.2	E997 L1000 R1001 F1019 V1020 K1025 I1026 K1027	E997-I1023 HydrophobicContact CG-CG1 4.48Å; E997-I1023 HydrophobicContact CG-CG2 3.91Å; L1000-I1023 HydrophobicContact CB-CD1 4.03Å; L1000-I1023 HydrophobicContact CB-CG1 3.51Å; L1000-I1023 HydrophobicContact CD1-CG1 4.24Å; L1000-I1023 HydrophobicContact CG-CG1 4.48Å; R1001-I1023 HydrophobicContact CB-CD1 4.2Å; F1019-I1023 WeakPolarHBondContact O-CG1 3.22Å; F1019-I1023 PolarHBondContact O-N 2.92Å; V1020-I1023 WeakPolarHBondContact O-CB 3.49Å; V1020-I1023 PolarHBondContact O-N 2.6Å; V1020-I1023 VanDerWaalsContact O-N 3.16Å; I1023-K1025 VanDerWaalsContact C-N 3.3Å; I1023-K1025 PolarHBondContact O-N 3Å; I1023-I1026 PolarHBondContact O-N 2.66Å; I1023-K1027 WeakPolarHBondContact O-CB 3.05Å; I1023-K1027 PolarHBondContact O-N 3.1Å
1024	E	94.9	Very high	91.2	Very high	137 Å²	137	53.2 Å²	53.2	64%	0.64	27%	0.274	S	S	*	.	H	α-helix	trans	-59.7	-39.3	178.9	-70.6	176.9	177.7	0	0	112.2	V1020 E1021	V1020-E1024 WeakPolarHBondContact O-CG 3.49Å; V1020-E1024 PolarHBondContact O-N 3.21Å; E1021-E1024 PolarHBondContact O-N 3.21Å
1025	K	94.7	Very high	90.4	Very high	46 Å²	46	49.4 Å²	49.4	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-70.4	-34.7	177.8	-72.7	176.4	-176.9	171	0	113.6	S898 E899 T970 E1021 A1022 I1023	S898-K1025 PolarHBondContact OG-NZ 3.11Å; E899-K1025 VanDerWaalsContact CD-NZ 3.3Å; E899-K1025 HydrophobicContact CG-CD 4.2Å; E899-K1025 IonicContact OE1-NZ 3.5Å; E899-K1025 PolarHBondContact OE1-NZ 3.31Å; E899-K1025 IonicContact OE2-NZ 3.47Å; T970-K1025 HydrophobicContact CG2-CB 4.16Å; E1021-K1025 WeakPolarHBondContact O-CG 3.36Å; E1021-K1025 PolarHBondContact O-N 2.74Å; E1021-K1025 VanDerWaalsContact OE1-CE 3.31Å; E1021-K1025 WeakPolarHBondContact OE1-CE 3Å; E1021-K1025 IonicContact OE1-NZ 2.69Å; E1021-K1025 PolarHBondContact OE1-NZ 3.29Å; A1022-K1025 PolarHBondContact O-N 3.14Å; I1023-K1025 VanDerWaalsContact C-N 3.3Å; I1023-K1025 PolarHBondContact O-N 3Å
1026	I	93.3	Very high	89.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-76.5	-37.7	176.5	-69	174.6	0	0	0	110.9	A902 W969 T970 L993 L996 E997 L1000 A1022 I1023 R1028 F1032	A902-I1026 HydrophobicContact CB-CD1 3.86Å; A902-I1026 HydrophobicContact CB-CG1 4.38Å; W969-I1026 PolarHBondContact NE1-O 3.11Å; T970-I1026 HydrophobicContact CG2-CG1 3.67Å; L993-I1026 HydrophobicContact CB-CG2 4.37Å; L993-I1026 HydrophobicContact CD2-CG2 4.44Å; L996-I1026 HydrophobicContact CD2-CD1 3.6Å; L996-I1026 HydrophobicContact CG-CD1 3.75Å; E997-I1026 HydrophobicContact CB-CG2 4.49Å; L1000-I1026 HydrophobicContact CD1-CD1 3.32Å; A1022-I1026 WeakPolarHBondContact O-CG1 3.43Å; A1022-I1026 PolarHBondContact O-N 2.87Å; I1023-I1026 PolarHBondContact O-N 2.66Å; I1026-R1028 VanDerWaalsContact C-N 3.32Å; I1026-R1028 PolarHBondContact O-N 3.23Å; I1026-F1032 HydrophobicContact CG2-CE2 3.97Å; I1026-F1032 HydrophobicContact CG2-CZ 4.19Å
1027	K	89.7	Confident	88.4	Confident	115 Å²	115	51.2 Å²	51.2	50%	0.5	26%	0.26	S	S	.	.	S	Bend	trans	-79.2	74.5	-172.7	-167.5	175.9	-179	171.3	0	112.6	I1023 F1032	I1023-K1027 WeakPolarHBondContact O-CB 3.05Å; I1023-K1027 PolarHBondContact O-N 3.1Å; K1027-F1032 HydrophobicContact CB-CD2 4.11Å; K1027-F1032 HydrophobicContact CB-CE2 4.07Å; K1027-F1032 HydrophobicContact CB-CZ 4.49Å; K1027-F1032 HydrophobicContact CG-CB 4.25Å; K1027-F1032 HydrophobicContact CG-CD1 4.15Å; K1027-F1032 HydrophobicContact CG-CD2 3.76Å; K1027-F1032 HydrophobicContact CG-CE1 4.47Å; K1027-F1032 HydrophobicContact CG-CE2 4.14Å; K1027-F1032 HydrophobicContact CG-CG 3.78Å; K1027-F1032 HydrophobicContact CG-CZ 4.47Å
1028	R	87.3	Confident	87.2	Confident	54 Å²	54	48.9 Å²	48.9	20%	0.204	26%	0.255	C	S	.	.			trans	-144	161.3	175	64.2	-173.2	-176.3	93.5	-1.7	113	W969 G972 A973 I1026	W969-R1028 HydrophobicContact CH2-CG 4.03Å; W969-R1028 HydrophobicContact CZ2-CG 3.46Å; W969-R1028 VanDerWaalsContact CZ2-CG 3.46Å; W969-R1028 PolarHBondContact O-NE 3.37Å; W969-R1028 PolarHBondContact O-NH2 3.46Å; G972-R1028 VanDerWaalsContact CA-NH2 3.29Å; A973-R1028 PolarHBondContact O-NH1 3.08Å; A973-R1028 PolarHBondContact O-NH2 3.37Å; I1026-R1028 VanDerWaalsContact C-N 3.32Å; I1026-R1028 PolarHBondContact O-N 3.23Å
1029	D	84	Confident	86.7	Confident	88 Å²	88	49.1 Å²	49.1	47%	0.471	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	51.4	-141.7	170.5	-46.8	-41.4	0	0	0	113.6	W969 V1031 F1032	W969-D1029 HydrophobicContact CH2-CB 4.15Å; D1029-V1031 PolarHBondContact O-N 3.08Å; D1029-V1031 VanDerWaalsContact O-N 3.13Å; D1029-F1032 PolarHBondContact O-N 2.64Å
1030	I	84.8	Confident	86.1	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.031	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-60.2	-22.9	-172.5	-169.4	163.7	0	0	0	115	L412 D416 L419 L441 F975 I990 F1032 A1033	L412-I1030 HydrophobicContact CD1-CD1 4Å; L412-I1030 HydrophobicContact CD2-CB 4.21Å; L412-I1030 HydrophobicContact CD2-CD1 3.7Å; L412-I1030 HydrophobicContact CD2-CG1 3.65Å; D416-I1030 HydrophobicContact CB-CD1 4.17Å; L419-I1030 HydrophobicContact CD1-CD1 4.02Å; L441-I1030 HydrophobicContact CD1-CD1 3.99Å; L441-I1030 HydrophobicContact CD2-CD1 3.89Å; F975-I1030 HydrophobicContact CB-CG2 3.99Å; F975-I1030 HydrophobicContact CD1-CG2 3.76Å; F975-I1030 HydrophobicContact CD2-CG2 3.96Å; F975-I1030 HydrophobicContact CE1-CG2 4.21Å; F975-I1030 HydrophobicContact CE2-CG2 4.4Å; F975-I1030 HydrophobicContact CG-CG2 3.62Å; I990-I1030 HydrophobicContact CD1-CG1 4.03Å; I990-I1030 HydrophobicContact CD1-CG2 4.26Å; I1030-F1032 VanDerWaalsContact C-N 3.28Å; I1030-F1032 PolarHBondContact O-N 2.93Å; I1030-A1033 PolarHBondContact O-N 3.05Å
1031	V	83.9	Confident	85.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-63.8	-35.3	-173.9	-176.9	0	0	0	0	111.3	W969 F975 I990 L993 R994 D1029	W969-V1031 HydrophobicContact CH2-CG2 4.03Å; W969-V1031 HydrophobicContact CZ2-CB 4.42Å; W969-V1031 HydrophobicContact CZ2-CG2 3.45Å; W969-V1031 VanDerWaalsContact CZ2-CG2 3.45Å; F975-V1031 HydrophobicContact CD2-CG2 4.49Å; I990-V1031 HydrophobicContact CG2-CG1 4.35Å; L993-V1031 HydrophobicContact CB-CG1 3.56Å; L993-V1031 HydrophobicContact CD1-CG1 4.13Å; L993-V1031 HydrophobicContact CD1-CG2 3.62Å; R994-V1031 HydrophobicContact CG-CG1 4.29Å; R994-V1031 VanDerWaalsContact CZ-O 3.29Å; R994-V1031 PolarHBondContact NE-O 2.86Å; R994-V1031 PolarHBondContact NH2-O 3.42Å; D1029-V1031 PolarHBondContact O-N 3.08Å; D1029-V1031 VanDerWaalsContact O-N 3.13Å
1032	F	80.5	Confident	84.8	Confident	54 Å²	54	49.8 Å²	49.8	24%	0.237	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-117.2	28.3	-176.5	-63.9	-92.7	0	0	0	113.3	R994 E997 I1026 K1027 D1029 I1030 A1034	R994-F1032 HydrophobicContact CG-CE1 4.25Å; R994-F1032 HydrophobicContact CG-CZ 4.47Å; E997-F1032 HydrophobicContact CB-CE1 3.98Å; E997-F1032 HydrophobicContact CB-CZ 3.58Å; E997-F1032 HydrophobicContact CG-CE1 3.9Å; E997-F1032 HydrophobicContact CG-CZ 3.76Å; I1026-F1032 HydrophobicContact CG2-CE2 3.97Å; I1026-F1032 HydrophobicContact CG2-CZ 4.19Å; K1027-F1032 HydrophobicContact CB-CD2 4.11Å; K1027-F1032 HydrophobicContact CB-CE2 4.07Å; K1027-F1032 HydrophobicContact CB-CZ 4.49Å; K1027-F1032 HydrophobicContact CG-CB 4.25Å; K1027-F1032 HydrophobicContact CG-CD1 4.15Å; K1027-F1032 HydrophobicContact CG-CD2 3.76Å; K1027-F1032 HydrophobicContact CG-CE1 4.47Å; K1027-F1032 HydrophobicContact CG-CE2 4.14Å; K1027-F1032 HydrophobicContact CG-CG 3.78Å; K1027-F1032 HydrophobicContact CG-CZ 4.47Å; D1029-F1032 PolarHBondContact O-N 2.64Å; I1030-F1032 VanDerWaalsContact C-N 3.28Å; I1030-F1032 PolarHBondContact O-N 2.93Å; F1032-A1034 PolarHBondContact O-N 2.72Å
1033	A	79.2	Confident	84	Confident	34 Å²	34	52.9 Å²	52.9	28%	0.281	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-55.3	135.4	168.9	0	0	0	0	0	110.6	R994 I1030	R994-A1033 PolarHBondContact NH2-O 3.13Å; I1030-A1033 PolarHBondContact O-N 3.05Å
1034	A	75.6	Confident	83.3	Confident	84 Å²	84	55.1 Å²	55.1	69%	0.694	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-61.9	145.1	176.3	0	0	0	0	0	110.5	F1032	F1032-A1034 PolarHBondContact O-N 2.72Å
1035	S	78.8	Confident	82.5	Confident	18 Å²	18	49.2 Å²	49.2	13%	0.126	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-65.6	132.6	175.3	143.2	0	0	0	0	109.7	N178 E446 Y1037 L1038	N178-S1035 PolarHBondContact ND2-OG 3.06Å; E446-S1035 WeakPolarHBondContact OE1-CB 3.2Å; E446-S1035 VanDerWaalsContact OE2-CA 3.25Å; E446-S1035 WeakPolarHBondContact OE2-CA 3.49Å; S1035-Y1037 PolarHBondContact O-N 3.43Å; S1035-Y1037 WeakPolarHBondContact OG-CB 3.13Å; S1035-Y1037 PolarHBondContact OG-N 3.17Å; S1035-L1038 PolarHBondContact O-N 2.94Å; S1035-L1038 VanDerWaalsContact O-N 3.12Å
1036	L	79.6	Confident	81.5	Confident	58 Å²	58	49.5 Å²	49.5	30%	0.304	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.9	176.2	-64.6	173.4	0	0	0	113.4	A408 L443 E446 T447 I450 L1038	A408-L1036 HydrophobicContact CB-CD1 3.77Å; A408-L1036 HydrophobicContact CB-CD2 4.31Å; L443-L1036 HydrophobicContact CD1-CD1 3.7Å; L443-L1036 HydrophobicContact CD1-CD2 3.81Å; L443-L1036 HydrophobicContact CD1-CG 3.69Å; L443-L1036 HydrophobicContact CG-CD1 4.31Å; E446-L1036 HydrophobicContact CB-CB 4.36Å; E446-L1036 HydrophobicContact CB-CD1 4.21Å; E446-L1036 PolarHBondContact OE2-N 3.39Å; T447-L1036 WeakPolarHBondContact OG1-CD1 3.3Å; I450-L1036 HydrophobicContact CD1-CB 4.03Å; L1036-L1038 VanDerWaalsContact C-N 3.34Å
1037	Y	72.2	Confident	80.5	Confident	25 Å²	25	53.6 Å²	53.6	10%	0.098	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.9	174.6	-73	-73.4	0	0	0	114.1	E446 E449 I450 S1035	E446-Y1037 HydrophobicContact CB-CD2 4.31Å; E446-Y1037 HydrophobicContact CB-CE2 4.04Å; E446-Y1037 HydrophobicContact CG-CD2 3.9Å; E446-Y1037 HydrophobicContact CG-CE2 3.77Å; E449-Y1037 WeakPolarHBondContact CB-OH 3.49Å; E449-Y1037 VanDerWaalsContact OE2-CE2 3.24Å; E449-Y1037 WeakPolarHBondContact OE2-CE2 3.42Å; E449-Y1037 PolarHBondContact OE2-OH 2.62Å; I450-Y1037 HydrophobicContact CG1-CE1 4.29Å; S1035-Y1037 PolarHBondContact O-N 3.43Å; S1035-Y1037 WeakPolarHBondContact OG-CB 3.13Å; S1035-Y1037 PolarHBondContact OG-N 3.17Å
1038	L	70.8	Confident	79.7	Confident	107 Å²	107	48 Å²	48	56%	0.56	27%	0.273	S	S	*	.			trans	-95.9	0	179.6	-62.9	176.4	0	0	0	109.2	Y181 L193 A198 I200 S1035 L1036	Y181-L1038 HydrophobicContact CD1-CD2 3.98Å; Y181-L1038 HydrophobicContact CE1-CD2 4.21Å; L193-L1038 HydrophobicContact CD2-CD2 3.76Å; A198-L1038 HydrophobicContact CB-CD1 4.11Å; I200-L1038 HydrophobicContact CD1-CD1 4.11Å; I200-L1038 HydrophobicContact CD1-CD2 3.72Å; I200-L1038 HydrophobicContact CD1-CG 4.44Å; S1035-L1038 PolarHBondContact O-N 2.94Å; S1035-L1038 VanDerWaalsContact O-N 3.12Å; L1036-L1038 VanDerWaalsContact C-N 3.34Å

Retrieved 1,038 of 1,038 residues in 641.1 ms (Link to these results)

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