A0A3Q0KJP7_SCHMA Loading...

Putative f-box and wd40 domain protein

AlphaFold DB , UniProt , Accession A0A3Q0KJP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 844 aa.

						>A0A3Q0KJP7_SCHMA|A0A3Q0KJP7
MFSGQHRDICSDRGCENCRDLSENVHCTCISNIKRSKPSSDTSTPVDQKKKRLHNNSSPVSMEKKNCIDTFTSWSNGDQVDFICNLLSKISHFQQSQINDFLEPLLKRDFIVALQNRGVPYLAEMILVQLDASSLLSVELASRGWQWSVAKYQLWRRLLACRVATDPVWHGLCERRGWIEFIEHSDPAYLPALLERRRVPIGVRHKLTEFSPFLDSNSCMECEASKLSPKLESTCSVNRQQSLVCQCQSDIQHSLIYPTDRHSYVSRTQSIPFSRDSTTDASNTPSCSLSPYNINDGLNHRSVNAASFSMETDLHDALSYETVMFAHRFYKQLYPRIIRDIARVEDNWTRGQYHLTRIPCRSDVTKGVYCLQYDKHKIVSGLRDDTIKVWQRIPNICAINKNKGSSSDCTTTPNPDESGHKVRGRSDAPTAAPAAVEAPNQEGFNEATCSDGYRCTQVLEGHSGSVLCLQYIGNLLISGSSDTTVRLWDLSTGCCLNVINHHAEAVLHLRFRNNILVTCSKDRSIAVWDMGPWPKDVQLRQVLVGHRAAVNVVDFDDKYIVSASGDRTIKVWATDTCAYVRTLTGHRRGIACLQYRDRLVVSGSSDNTIRIWDIETGVCFRVLEGHEELVRCIRFDSKRIVSGAYDGKIKVWNLKAALNPRSKPNQLCIHTLQQHTGRVFRLQFDDFQIVSSSHDDTILIWDFARPATGNEERDDGFDDGINAALASQNNCLCSLRSAAVQCQVQSDNINTGGGCSSSSHPTTTTNNNNNTTDNNNLAPVAIDNKNGVTASVSTTTITNANTTTITTTTPTPTISGNNNFNNPNNSIINSSKSSFISSTNNRKI
					

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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	32.8	Very low	32.1	Very low	232 Å²	232	160.7 Å²	160.7	100%	1.143	86%	0.857	S	S	*	*				0	142.3	0	-77.9	175.1	165.7	0	0	107.8
2	F	34.5	Very low	32.4	Very low	211 Å²	211	159.1 Å²	159.1	93%	0.925	85%	0.848	S	S	*	*			trans	61.7	146.8	-173.3	-68.4	-77.1	0	0	0	116.6
3	S	28.4	Very low	32.4	Very low	125 Å²	125	165 Å²	165	87%	0.874	85%	0.851	S	S	*	*			trans	-164.4	158.3	-157.9	51.1	0	0	0	0	110.5
4	G	33.7	Very low	32.5	Very low	65 Å²	65	158.8 Å²	158.8	67%	0.67	85%	0.848	S	S	*	*			trans	149.7	99.2	174.9	0	0	0	0	0	109.1
5	Q	30.1	Very low	32.5	Very low	186 Å²	186	154 Å²	154	87%	0.869	83%	0.831	S	S	*	*				50.7	109	65.4	-65.7	-168.8	-17.5	0	0	114
6	H	33.8	Very low	32.8	Very low	168 Å²	168	154.3 Å²	154.3	78%	0.778	83%	0.825	S	S	*	*				-165.5	146.7	115.5	-117.5	-60.7	0	0	0	113.9
7	R	33	Very low	33	Very low	218 Å²	218	153.9 Å²	153.9	82%	0.823	82%	0.823	S	S	*	*			trans	76.4	77.4	153.7	-62.9	171.6	-166.1	-149.3	-0.4	119
8	D	28.8	Very low	33.2	Very low	155 Å²	155	150.9 Å²	150.9	83%	0.829	82%	0.815	S	S	*	*				-67.8	156	119.6	-84.3	-57.7	0	0	0	110.5
9	I	32.7	Very low	33.2	Very low	167 Å²	167	152.9 Å²	152.9	86%	0.856	81%	0.809	S	S	*	*			trans	154.3	101.6	146.3	-79.5	155	0	0	0	108.2
10	C	35.1	Very low	33.2	Very low	125 Å²	125	152 Å²	152	85%	0.845	81%	0.805	S	S	*	*			trans	-167.6	80.5	140.4	-168.3	0	0	0	0	108.5
11	S	30.7	Very low	33.1	Very low	116 Å²	116	152.6 Å²	152.6	81%	0.811	81%	0.807	S	S	*	*			trans	-138.8	53.5	-174	67.6	0	0	0	0	113
12	D	35.6	Very low	33.2	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	79%	0.786	S	S	*	*	S	Bend	trans	-148.8	173.8	157.1	-138.5	-33	0	0	0	112.8
13	R	32.5	Very low	33	Very low	236 Å²	236	144.1 Å²	144.1	89%	0.891	78%	0.779	S	S	*	*	S	Bend	trans	-76.8	146.7	-163.3	-59.3	144.7	-179.6	-175.6	0.3	112.8
14	G	33	Very low	33.1	Very low	78 Å²	78	145.1 Å²	145.1	80%	0.804	78%	0.775	S	S	*	*			trans	103.8	23.7	152.3	0	0	0	0	0	118.6
15	C	32.6	Very low	33	Very low	87 Å²	87	148.8 Å²	148.8	59%	0.588	78%	0.784	S	S	*	*			trans	-99.1	109.9	167.5	-166.6	0	0	0	0	111.3	N17	C15-N17 VanDerWaalsContact C-N 3.34Å
16	E	37.3	Very low	32.9	Very low	159 Å²	159	147.4 Å²	147.4	74%	0.743	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-75.2	-21.8	-177.9	-61.3	-171.3	121.3	0	0	113.1	C18	E16-C18 PolarHBondContact O-N 3.07Å; E16-C18 VanDerWaalsContact O-N 3.1Å
17	N	37.2	Very low	32.6	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-72.5	1.1	-178	-70.9	-7	0	0	0	115.3	C15	C15-N17 VanDerWaalsContact C-N 3.34Å
18	C	35.9	Very low	32.4	Very low	99 Å²	99	140.5 Å²	140.5	67%	0.669	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-100.7	11.5	-179.6	-67.9	0	0	0	0	114.2	E16	E16-C18 PolarHBondContact O-N 3.07Å; E16-C18 VanDerWaalsContact O-N 3.1Å
19	R	32.7	Very low	32.3	Very low	189 Å²	189	138.3 Å²	138.3	71%	0.713	77%	0.77	S	S	*	*	S	Bend	trans	-95.9	-30.3	-175.5	-85.8	-178.5	163	149.6	-3	116.2	L21	R19-L21 PolarHBondContact O-N 2.94Å
20	D	34	Very low	32.2	Very low	135 Å²	135	138 Å²	138	72%	0.722	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	3.6	-165.4	-63.7	-20.4	0	0	0	115.9
21	L	31.5	Very low	31.9	Very low	164 Å²	164	135.9 Å²	135.9	86%	0.859	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	4.9	-173.4	-78.1	167.7	0	0	0	115.4	R19	R19-L21 PolarHBondContact O-N 2.94Å
22	S	33.5	Very low	31.8	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	75%	0.752	S	S	*	*	S	Bend	trans	-116.5	-9.6	-176	62.7	0	0	0	0	116.3
23	E	31.5	Very low	31.7	Very low	168 Å²	168	138.3 Å²	138.3	79%	0.785	76%	0.757	S	S	*	*	S	Bend	trans	-111.7	-7.7	-172.7	-61.9	-164.2	144.2	0	0	115.2
24	N	30.6	Very low	31.7	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	75%	0.753	S	S	*	*			trans	-96.8	8.5	-174.4	-83.4	-51.9	0	0	0	116.1	H26	N24-H26 PolarHBondContact O-N 2.88Å
25	V	31.4	Very low	31.4	Very low	142 Å²	142	144.2 Å²	144.2	86%	0.861	76%	0.76	S	S	*	*			trans	-91	54.2	173.9	-164.8	0	0	0	0	110.5
26	H	28	Very low	31.5	Very low	157 Å²	157	145.3 Å²	145.3	73%	0.727	77%	0.769	S	S	*	*	S	Bend	trans	-138.3	121.3	176.4	-123.9	-65.9	0	0	0	111.3	N24	N24-H26 PolarHBondContact O-N 2.88Å
27	C	27.4	Very low	31.1	Very low	108 Å²	108	147.1 Å²	147.1	73%	0.73	77%	0.774	S	S	*	*			trans	54.1	68.1	159.3	-58.5	0	0	0	0	119
28	T	28.2	Very low	31	Very low	132 Å²	132	146.3 Å²	146.3	81%	0.81	78%	0.777	S	S	*	*			trans	-108.1	75.7	159.1	42.5	0	0	0	0	112.2	I30	T28-I30 PolarHBondContact O-N 2.85Å
29	C	26.8	Very low	30.7	Very low	110 Å²	110	146.1 Å²	146.1	74%	0.743	78%	0.776	S	S	*	*			trans	-68.4	93.7	172.4	-60.1	0	0	0	0	110.7	S31	C29-S31 PolarHBondContact O-N 3.19Å
30	I	31.1	Very low	30.7	Very low	160 Å²	160	141.9 Å²	141.9	82%	0.821	78%	0.776	S	S	*	*			trans	-74.2	74.3	175.9	-52	-176.8	0	0	0	110.2	T28	T28-I30 PolarHBondContact O-N 2.85Å
31	S	28.5	Very low	30.6	Very low	81 Å²	81	142.5 Å²	142.5	57%	0.566	78%	0.779	S	S	*	*			trans	-107.3	145.4	163.9	63.3	0	0	0	0	108.5	C29	C29-S31 PolarHBondContact O-N 3.19Å
32	N	28.8	Very low	30.8	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	77%	0.773	S	S	*	*			trans	73.3	80.7	178.1	-48	-62	0	0	0	117.4
33	I	33.7	Very low	30.7	Very low	165 Å²	165	140.1 Å²	140.1	85%	0.846	77%	0.771	S	S	*	*			trans	-109.2	117.8	140.6	-63.3	-178	0	0	0	107.4
34	K	31.7	Very low	31	Very low	186 Å²	186	138.1 Å²	138.1	81%	0.809	77%	0.771	S	S	*	*			trans	-74.6	133.4	-172	-68	176.9	178.6	175.3	0	111.2	S36	K34-S36 PolarHBondContact O-N 3.31Å
35	R	27.9	Very low	31.2	Very low	253 Å²	253	136.7 Å²	136.7	96%	0.955	77%	0.77	S	S	*	*			trans	-67.9	108.1	159.8	-82.3	-179.2	167.6	178.6	-4	109.4
36	S	34.1	Very low	31.4	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-93.1	133	159.3	44.2	0	0	0	0	109.8	K34	K34-S36 PolarHBondContact O-N 3.31Å
37	K	29	Very low	31.6	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.857	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-86.3	142.2	166.6	-74.2	-178.9	175	-179.5	0	109.4
38	P	34.7	Very low	32.2	Very low	131 Å²	131	139.8 Å²	139.8	85%	0.851	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-97	138.8	141.2	3.1	16.8	0	0	0	109.3
39	S	29.8	Very low	32.5	Very low	94 Å²	94	142.6 Å²	142.6	66%	0.657	78%	0.779	S	S	*	*			trans	-132.6	143.5	169.2	50.6	0	0	0	0	108.1
40	S	32.9	Very low	32.9	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	78%	0.782	S	S	*	*			trans	61.1	140.1	177.9	31.2	0	0	0	0	114.7
41	D	32.2	Very low	33	Very low	147 Å²	147	147.7 Å²	147.7	79%	0.786	78%	0.783	S	S	*	*			cis	-160.8	168.2	6.7	-108.3	-21.9	0	0	0	112.9
42	T	34.3	Very low	33.1	Very low	119 Å²	119	155.4 Å²	155.4	73%	0.73	80%	0.8	S	S	*	*			trans	70.7	127	151.2	-61	0	0	0	0	121.2
43	S	31.5	Very low	33.4	Very low	93 Å²	93	155.9 Å²	155.9	65%	0.65	80%	0.801	S	S	*	*			trans	-17.6	144.3	166.9	59.7	0	0	0	0	119.7
44	T	37.9	Very low	33.5	Very low	127 Å²	127	155.6 Å²	155.6	78%	0.779	80%	0.796	S	S	*	*				-163.8	159.3	78.4	27.7	0	0	0	0	113.6
45	P	35.7	Very low	33.7	Very low	116 Å²	116	153.5 Å²	153.5	75%	0.753	79%	0.793	S	S	*	*			trans	-90.1	137.4	-171.6	34.5	-34.4	0	0	0	114.4
46	V	35.8	Very low	34.2	Very low	136 Å²	136	147.6 Å²	147.6	82%	0.824	78%	0.781	S	S	*	*			trans	-125.2	43.6	171.2	-166.1	0	0	0	0	111	Q48	V46-Q48 VanDerWaalsContact C-N 3.33Å; V46-Q48 PolarHBondContact O-N 3.5Å
47	D	32.8	Very low	34.7	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	65.8	-175.4	-137.3	-23.6	0	0	0	112.4
48	Q	39.7	Very low	35.7	Very low	183 Å²	183	141 Å²	141	86%	0.855	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.7	-19.4	177.5	-111.8	168.8	50.9	0	0	115.9	V46	V46-Q48 VanDerWaalsContact C-N 3.33Å; V46-Q48 PolarHBondContact O-N 3.5Å
49	K	34.8	Very low	36.4	Very low	191 Å²	191	137.5 Å²	137.5	83%	0.83	74%	0.737	S	S	*	*	S	Bend	trans	-91.2	-13.9	-172.3	-139.9	170.5	-173.6	176.3	0	115.7
50	K	34.8	Very low	37.5	Very low	185 Å²	185	137.3 Å²	137.3	80%	0.804	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-83.6	-21	-179.8	-95	-177.9	174.8	177.7	0	115.3	R52	K50-R52 PolarHBondContact O-N 2.91Å; K50-R52 VanDerWaalsContact O-N 3.16Å
51	K	33.2	Very low	38.8	Very low	193 Å²	193	136 Å²	136	84%	0.839	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-73	0.2	-177.2	-80.6	-173.1	175.8	177.9	0	115.8
52	R	30.2	Very low	40	Very low	243 Å²	243	134.9 Å²	134.9	92%	0.917	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-99.9	3.2	178	-85.9	-170.9	171.9	-170.1	-2.1	115.7	K50	K50-R52 PolarHBondContact O-N 2.91Å; K50-R52 VanDerWaalsContact O-N 3.16Å
53	L	35	Very low	41.9	Very low	152 Å²	152	134.7 Å²	134.7	80%	0.796	71%	0.705	S	S	*	*	S	Bend	trans	-117.3	7.6	-177.8	-77.9	166.4	0	0	0	114.8
54	H	35.9	Very low	44	Very low	158 Å²	158	137 Å²	137	73%	0.731	70%	0.703	S	S	*	*	S	Bend	trans	-101.3	-4	-175.1	-110.8	36.4	0	0	0	115.8	S57	H54-S57 PolarHBondContact O-OG 3.37Å
55	N	35.5	Very low	46	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-2.2	-175.4	-75.9	24.9	0	0	0	115.1
56	N	37.6	Very low	48.2	Very low	130 Å²	130	135.4 Å²	135.4	70%	0.695	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	23.9	179.8	-70.3	23.1	0	0	0	112.9	P59	N56-P59 WeakPolarHBondContact O-CD 3.42Å
57	S	45.5	Very low	50.4	Low	83 Å²	83	133 Å²	133	58%	0.58	67%	0.666	S	S	*	*	H	α-helix	trans	-83.3	-19.8	-173.9	50.2	0	0	0	0	114.8	H54 S61	H54-S57 PolarHBondContact O-OG 3.37Å; S57-S61 PolarHBondContact O-N 3.12Å
58	S	49.1	Very low	52.8	Low	84 Å²	84	130 Å²	130	59%	0.587	65%	0.649	S	S	*	*	H	α-helix	trans	-72.3	-41.7	179.7	51.6	0	0	0	0	116.1	V60 S61 M62	S58-V60 PolarHBondContact O-N 2.85Å; S58-S61 PolarHBondContact O-OG 3.27Å; S58-S61 VanDerWaalsContact O-OG 3.07Å; S58-M62 PolarHBondContact O-N 2.92Å
59	P	50.3	Low	55	Low	59 Å²	59	124.9 Å²	124.9	38%	0.383	63%	0.628	S	S	.	*	H	α-helix	trans	-63.8	-42.9	176.7	23.2	-33.3	0	0	0	111.6	N56 S61 M62 E63	N56-P59 WeakPolarHBondContact O-CD 3.42Å; P59-S61 VanDerWaalsContact C-N 3.29Å; P59-S61 PolarHBondContact O-N 3.31Å; P59-M62 WeakPolarHBondContact O-CB 3.23Å; P59-M62 PolarHBondContact O-N 3.26Å; P59-E63 WeakPolarHBondContact O-CB 3.16Å; P59-E63 WeakPolarHBondContact O-CG 3.24Å; P59-E63 PolarHBondContact O-N 3.02Å
60	V	53.7	Low	57.5	Low	89 Å²	89	119 Å²	119	54%	0.539	61%	0.607	S	S	.	*	H	α-helix	trans	-63.9	-31.8	-176.6	-174.9	0	0	0	0	112.5	S58 K64	S58-V60 PolarHBondContact O-N 2.85Å; V60-K64 WeakPolarHBondContact O-CB 3.42Å; V60-K64 PolarHBondContact O-N 3.34Å
61	S	58.6	Low	60	Low	75 Å²	75	112.4 Å²	112.4	52%	0.524	58%	0.579	S	S	.	*	H	α-helix	trans	-75.2	-34.3	174.6	67.6	0	0	0	0	112.5	S57 S58 P59 K65	S57-S61 PolarHBondContact O-N 3.12Å; S58-S61 PolarHBondContact O-OG 3.27Å; S58-S61 VanDerWaalsContact O-OG 3.07Å; P59-S61 VanDerWaalsContact C-N 3.29Å; P59-S61 PolarHBondContact O-N 3.31Å; S61-K65 PolarHBondContact O-N 3.37Å
62	M	58.7	Low	62.5	Low	122 Å²	122	107.6 Å²	107.6	60%	0.601	57%	0.566	S	S	*	*	H	α-helix	trans	-68.2	-47.6	174.7	-152.8	76.8	-177.8	0	0	111.2	S58 P59 K65 N66	S58-M62 PolarHBondContact O-N 2.92Å; P59-M62 WeakPolarHBondContact O-CB 3.23Å; P59-M62 PolarHBondContact O-N 3.26Å; M62-K65 PolarHBondContact O-N 2.56Å; M62-N66 VanDerWaalsContact O-CG 3.27Å; M62-N66 PolarHBondContact O-N 3.07Å; M62-N66 PolarHBondContact O-OD1 3.48Å
63	E	72.8	Confident	65.4	Low	115 Å²	115	100.5 Å²	100.5	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-59	-47.6	173.7	-71.6	168	174.4	0	0	111.2	P59 K65 N66 C67	P59-E63 WeakPolarHBondContact O-CB 3.16Å; P59-E63 WeakPolarHBondContact O-CG 3.24Å; P59-E63 PolarHBondContact O-N 3.02Å; E63-K65 VanDerWaalsContact C-N 3.29Å; E63-K65 PolarHBondContact O-N 3.02Å; E63-N66 PolarHBondContact O-N 3.39Å; E63-C67 WeakPolarHBondContact O-CB 3.35Å; E63-C67 PolarHBondContact O-N 2.68Å; E63-C67 PolarHBondContact O-SG 2.89Å
64	K	76.9	Confident	68.1	Low	142 Å²	142	97.7 Å²	97.7	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-56.3	-43.6	175.4	179.4	179.6	177.9	-178	0	111.7	V60 I68	V60-K64 WeakPolarHBondContact O-CB 3.42Å; V60-K64 PolarHBondContact O-N 3.34Å; K64-I68 HydrophobicContact CG-CD1 3.99Å; K64-I68 VanDerWaalsContact O-CG1 3.32Å; K64-I68 WeakPolarHBondContact O-CG1 3.13Å; K64-I68 PolarHBondContact O-N 3.39Å; K64-I68 VanDerWaalsContact O-N 3.12Å
65	K	79.4	Confident	70.7	Confident	125 Å²	125	93.2 Å²	93.2	54%	0.543	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-50.4	178.1	-170.8	-178.3	176.5	-168.6	0	110.9	S61 M62 E63 C67 I68 D69	S61-K65 PolarHBondContact O-N 3.37Å; M62-K65 PolarHBondContact O-N 2.56Å; E63-K65 VanDerWaalsContact C-N 3.29Å; E63-K65 PolarHBondContact O-N 3.02Å; K65-C67 VanDerWaalsContact C-N 3.26Å; K65-C67 PolarHBondContact O-N 3.42Å; K65-I68 PolarHBondContact O-N 2.97Å; K65-D69 VanDerWaalsContact CE-OD2 3.23Å; K65-D69 WeakPolarHBondContact CE-OD2 3.21Å; K65-D69 PolarHBondContact O-N 3.47Å
66	N	82.2	Confident	73.1	Confident	85 Å²	85	92.9 Å²	92.9	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-56.8	-39.8	178.8	-67.7	-4.2	0	0	0	112	M62 E63 T70	M62-N66 VanDerWaalsContact O-CG 3.27Å; M62-N66 PolarHBondContact O-N 3.07Å; M62-N66 PolarHBondContact O-OD1 3.48Å; E63-N66 PolarHBondContact O-N 3.39Å; N66-T70 VanDerWaalsContact O-CB 3.24Å; N66-T70 WeakPolarHBondContact O-CB 3.34Å; N66-T70 PolarHBondContact O-N 3.14Å; N66-T70 PolarHBondContact O-OG1 3.12Å
67	C	81.5	Confident	75.5	Confident	86 Å²	86	88.6 Å²	88.6	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-66.3	-37.3	175.7	-71.7	0	0	0	0	113	E63 K65 F71	E63-C67 WeakPolarHBondContact O-CB 3.35Å; E63-C67 PolarHBondContact O-N 2.68Å; E63-C67 PolarHBondContact O-SG 2.89Å; K65-C67 VanDerWaalsContact C-N 3.26Å; K65-C67 PolarHBondContact O-N 3.42Å; C67-F71 VanDerWaalsContact O-CB 3.28Å; C67-F71 WeakPolarHBondContact O-CB 3.49Å; C67-F71 PolarHBondContact O-N 3.33Å
68	I	83.7	Confident	77.5	Confident	88 Å²	88	88.7 Å²	88.7	45%	0.451	50%	0.498	S	S	.	.	H	α-helix	trans	-69	-49.6	174.8	-69.5	165.9	0	0	0	110.3	K64 K65 T70 F71 T72	K64-I68 HydrophobicContact CG-CD1 3.99Å; K64-I68 VanDerWaalsContact O-CG1 3.32Å; K64-I68 WeakPolarHBondContact O-CG1 3.13Å; K64-I68 PolarHBondContact O-N 3.39Å; K64-I68 VanDerWaalsContact O-N 3.12Å; K65-I68 PolarHBondContact O-N 2.97Å; I68-T70 PolarHBondContact O-N 3.48Å; I68-F71 PolarHBondContact O-N 2.58Å; I68-F71 VanDerWaalsContact O-N 3.12Å; I68-T72 PolarHBondContact O-N 3.22Å; I68-T72 PolarHBondContact O-OG1 3.07Å
69	D	86.3	Confident	79.4	Confident	76 Å²	76	86.8 Å²	86.8	41%	0.406	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-38.6	179.5	-64.9	-8.5	0	0	0	110.5	K65 T72 S73	K65-D69 VanDerWaalsContact CE-OD2 3.23Å; K65-D69 WeakPolarHBondContact CE-OD2 3.21Å; K65-D69 PolarHBondContact O-N 3.47Å; D69-T72 WeakPolarHBondContact CA-OG1 3.48Å; D69-T72 PolarHBondContact O-N 3.05Å; D69-T72 PolarHBondContact O-OG1 3.33Å; D69-S73 PolarHBondContact O-N 3.45Å
70	T	86.1	Confident	81.1	Confident	66 Å²	66	88 Å²	88	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-46.6	173.1	-56.2	0	0	0	0	112.2	N66 I68 T72 S73 W74	N66-T70 VanDerWaalsContact O-CB 3.24Å; N66-T70 WeakPolarHBondContact O-CB 3.34Å; N66-T70 PolarHBondContact O-N 3.14Å; N66-T70 PolarHBondContact O-OG1 3.12Å; I68-T70 PolarHBondContact O-N 3.48Å; T70-T72 PolarHBondContact O-N 2.98Å; T70-S73 PolarHBondContact O-N 3.27Å; T70-S73 PolarHBondContact O-OG 3.07Å; T70-W74 HydrophobicContact CG2-CZ2 3.92Å; T70-W74 PolarHBondContact O-NE1 3.29Å
71	F	88.3	Confident	82.6	Confident	47 Å²	47	88.6 Å²	88.6	21%	0.206	49%	0.486	C	S	.	.	H	α-helix	trans	-58.9	-37.1	176.4	176.4	-93.2	0	0	0	112	C67 I68 S73 W74 Q79 F82 I83	C67-F71 VanDerWaalsContact O-CB 3.28Å; C67-F71 WeakPolarHBondContact O-CB 3.49Å; C67-F71 PolarHBondContact O-N 3.33Å; I68-F71 PolarHBondContact O-N 2.58Å; I68-F71 VanDerWaalsContact O-N 3.12Å; F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.49Å; F71-W74 AromaticContact CD2-CE3 3.76Å; F71-W74 HydrophobicContact CD2-CE3 3.76Å; F71-W74 AromaticContact CD2-CZ3 3.75Å; F71-W74 HydrophobicContact CD2-CZ3 3.75Å; F71-W74 HydrophobicContact CE2-CE3 4.43Å; F71-W74 HydrophobicContact CG-CE3 4.48Å; F71-W74 PolarHBondContact O-N 3.5Å; F71-Q79 HydrophobicContact CD1-CG 4.43Å; F71-Q79 HydrophobicContact CD2-CG 4.33Å; F71-Q79 HydrophobicContact CE1-CB 4.34Å; F71-Q79 HydrophobicContact CE1-CG 3.95Å; F71-Q79 HydrophobicContact CE2-CB 3.84Å; F71-Q79 HydrophobicContact CE2-CG 3.84Å; F71-Q79 HydrophobicContact CZ-CB 3.59Å; F71-Q79 HydrophobicContact CZ-CG 3.62Å; F71-Q79 WeakPolarHBondContact O-CG 3.28Å; F71-F82 AromaticContact CD2-CD1 3.79Å; F71-F82 HydrophobicContact CD2-CD1 3.79Å; F71-F82 HydrophobicContact CD2-CE1 4.17Å; F71-F82 HydrophobicContact CE2-CB 4.49Å; F71-F82 AromaticContact CE2-CD1 3.73Å; F71-F82 HydrophobicContact CE2-CD1 3.73Å; F71-F82 HydrophobicContact CE2-CE1 4.42Å; F71-F82 HydrophobicContact CE2-CG 4.47Å; F71-I83 HydrophobicContact CE2-CD1 4.31Å; F71-I83 HydrophobicContact CE2-CG1 4.2Å; F71-I83 HydrophobicContact CZ-CD1 3.76Å; F71-I83 HydrophobicContact CZ-CG1 4.15Å
72	T	85.7	Confident	84.1	Confident	93 Å²	93	89.2 Å²	89.2	57%	0.571	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.5	176.8	53.7	0	0	0	0	115.1	I68 D69 T70	I68-T72 PolarHBondContact O-N 3.22Å; I68-T72 PolarHBondContact O-OG1 3.07Å; D69-T72 WeakPolarHBondContact CA-OG1 3.48Å; D69-T72 PolarHBondContact O-N 3.05Å; D69-T72 PolarHBondContact O-OG1 3.33Å; T70-T72 PolarHBondContact O-N 2.98Å
73	S	90	Very high	85.4	Confident	94 Å²	94	87 Å²	87	66%	0.657	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-9	174.7	74.1	0	0	0	0	113.8	D69 T70 F71	D69-S73 PolarHBondContact O-N 3.45Å; T70-S73 PolarHBondContact O-N 3.27Å; T70-S73 PolarHBondContact O-OG 3.07Å; F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.49Å
74	W	91.7	Very high	86	Confident	93 Å²	93	84.9 Å²	84.9	35%	0.352	47%	0.466	S	S	.	.	S	Bend	trans	-78.9	158.7	175.1	-60.9	-14.4	0	0	0	112.4	T70 F71 D78 Q79 F82	T70-W74 HydrophobicContact CG2-CZ2 3.92Å; T70-W74 PolarHBondContact O-NE1 3.29Å; F71-W74 AromaticContact CD2-CE3 3.76Å; F71-W74 HydrophobicContact CD2-CE3 3.76Å; F71-W74 AromaticContact CD2-CZ3 3.75Å; F71-W74 HydrophobicContact CD2-CZ3 3.75Å; F71-W74 HydrophobicContact CE2-CE3 4.43Å; F71-W74 HydrophobicContact CG-CE3 4.48Å; F71-W74 PolarHBondContact O-N 3.5Å; W74-D78 HydrophobicContact CB-CB 3.89Å; W74-Q79 HydrophobicContact CB-CG 4.16Å; W74-Q79 PolarHBondContact O-NE2 3.4Å; W74-F82 HydrophobicContact CE3-CB 4.34Å; W74-F82 HydrophobicContact CE3-CG 4.49Å; W74-F82 AromaticContact CH2-CD2 3.86Å; W74-F82 HydrophobicContact CH2-CD2 3.86Å; W74-F82 HydrophobicContact CH2-CE2 4.04Å; W74-F82 HydrophobicContact CH2-CG 4.26Å; W74-F82 HydrophobicContact CZ3-CB 3.79Å; W74-F82 HydrophobicContact CZ3-CD1 4.01Å; W74-F82 AromaticContact CZ3-CD2 3.6Å; W74-F82 HydrophobicContact CZ3-CD2 3.6Å; W74-F82 HydrophobicContact CZ3-CE1 4.47Å; W74-F82 HydrophobicContact CZ3-CE2 4.12Å; W74-F82 AromaticContact CZ3-CG 3.53Å; W74-F82 HydrophobicContact CZ3-CG 3.53Å
75	S	91.2	Very high	86.4	Confident	63 Å²	63	82.3 Å²	82.3	44%	0.441	46%	0.459	S	S	.	.			trans	-70.8	162.4	177.7	82.3	0	0	0	0	112	G77 D78 Q79	S75-G77 PolarHBondContact O-N 2.93Å; S75-G77 VanDerWaalsContact O-N 3.11Å; S75-G77 PolarHBondContact OG-N 3.02Å; S75-D78 WeakPolarHBondContact CB-OD2 3.32Å; S75-D78 PolarHBondContact N-OD2 2.89Å; S75-D78 PolarHBondContact O-N 3.31Å; S75-D78 VanDerWaalsContact OG-CG 3.27Å; S75-D78 PolarHBondContact OG-N 3.26Å; S75-D78 PolarHBondContact OG-OD2 3.11Å; S75-Q79 WeakPolarHBondContact O-CB 3.22Å; S75-Q79 WeakPolarHBondContact O-CG 3.42Å; S75-Q79 PolarHBondContact O-N 2.83Å
76	N	85.3	Confident	86.7	Confident	136 Å²	136	80.1 Å²	80.1	73%	0.727	45%	0.453	S	S	*	.	H	α-helix	trans	-56.8	-27.4	175.5	-67.8	-15	0	0	0	113.2	V80	N76-V80 VanDerWaalsContact O-CG2 3.32Å; N76-V80 WeakPolarHBondContact O-CG2 3.36Å; N76-V80 PolarHBondContact O-N 3.38Å
77	G	87.6	Confident	86.7	Confident	40 Å²	40	79.4 Å²	79.4	41%	0.412	45%	0.449	S	S	.	.	H	α-helix	trans	-72.1	-54.5	174.8	0	0	0	0	0	111.4	S75 Q79 V80 D81	S75-G77 PolarHBondContact O-N 2.93Å; S75-G77 VanDerWaalsContact O-N 3.11Å; S75-G77 PolarHBondContact OG-N 3.02Å; G77-Q79 VanDerWaalsContact C-N 3.25Å; G77-Q79 PolarHBondContact O-N 2.85Å; G77-V80 PolarHBondContact O-N 3.19Å; G77-D81 PolarHBondContact O-N 2.93Å
78	D	88.6	Confident	86.8	Confident	85 Å²	85	79.5 Å²	79.5	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-56.8	-39	178.5	-53.2	-56.8	0	0	0	112.2	W74 S75 F82	W74-D78 HydrophobicContact CB-CB 3.89Å; S75-D78 WeakPolarHBondContact CB-OD2 3.32Å; S75-D78 PolarHBondContact N-OD2 2.89Å; S75-D78 PolarHBondContact O-N 3.31Å; S75-D78 VanDerWaalsContact OG-CG 3.27Å; S75-D78 PolarHBondContact OG-N 3.26Å; S75-D78 PolarHBondContact OG-OD2 3.11Å; D78-F82 WeakPolarHBondContact O-CB 3.19Å; D78-F82 PolarHBondContact O-N 2.88Å
79	Q	89.4	Confident	86.9	Confident	43 Å²	43	83.1 Å²	83.1	20%	0.201	46%	0.463	C	S	.	.	H	α-helix	trans	-62.6	-41.8	175.7	-74	-179.2	38.5	0	0	112.1	F71 W74 S75 G77 I83	F71-Q79 HydrophobicContact CD1-CG 4.43Å; F71-Q79 HydrophobicContact CD2-CG 4.33Å; F71-Q79 HydrophobicContact CE1-CB 4.34Å; F71-Q79 HydrophobicContact CE1-CG 3.95Å; F71-Q79 HydrophobicContact CE2-CB 3.84Å; F71-Q79 HydrophobicContact CE2-CG 3.84Å; F71-Q79 HydrophobicContact CZ-CB 3.59Å; F71-Q79 HydrophobicContact CZ-CG 3.62Å; F71-Q79 WeakPolarHBondContact O-CG 3.28Å; W74-Q79 HydrophobicContact CB-CG 4.16Å; W74-Q79 PolarHBondContact O-NE2 3.4Å; S75-Q79 WeakPolarHBondContact O-CB 3.22Å; S75-Q79 WeakPolarHBondContact O-CG 3.42Å; S75-Q79 PolarHBondContact O-N 2.83Å; G77-Q79 VanDerWaalsContact C-N 3.25Å; G77-Q79 PolarHBondContact O-N 2.85Å; Q79-I83 WeakPolarHBondContact O-CB 3.29Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.21Å; Q79-I83 PolarHBondContact O-N 2.76Å
80	V	84.7	Confident	86.9	Confident	86 Å²	86	80.7 Å²	80.7	52%	0.521	45%	0.45	S	S	.	.	H	α-helix	trans	-69.3	-47.9	176.4	168.9	0	0	0	0	110.7	N76 G77 F82 I83 C84	N76-V80 VanDerWaalsContact O-CG2 3.32Å; N76-V80 WeakPolarHBondContact O-CG2 3.36Å; N76-V80 PolarHBondContact O-N 3.38Å; G77-V80 PolarHBondContact O-N 3.19Å; V80-F82 VanDerWaalsContact C-N 3.3Å; V80-F82 PolarHBondContact O-N 2.94Å; V80-I83 PolarHBondContact O-N 3.21Å; V80-I83 VanDerWaalsContact O-N 3.12Å; V80-C84 PolarHBondContact O-N 2.83Å; V80-C84 PolarHBondContact O-SG 3.13Å
81	D	86.9	Confident	87	Confident	101 Å²	101	80.2 Å²	80.2	54%	0.54	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-36.9	179.1	-80.1	-23.4	0	0	0	112	G77 N85	G77-D81 PolarHBondContact O-N 2.93Å; D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.48Å; D81-N85 PolarHBondContact O-N 3.49Å; D81-N85 PolarHBondContact O-ND2 3.21Å
82	F	89.4	Confident	86.7	Confident	87 Å²	87	85.5 Å²	85.5	38%	0.382	47%	0.474	S	S	.	.	H	α-helix	trans	-64.3	-46.9	171	178.7	-98	0	0	0	111.9	F71 W74 D78 V80 C84 N85 L86	F71-F82 AromaticContact CD2-CD1 3.79Å; F71-F82 HydrophobicContact CD2-CD1 3.79Å; F71-F82 HydrophobicContact CD2-CE1 4.17Å; F71-F82 HydrophobicContact CE2-CB 4.49Å; F71-F82 AromaticContact CE2-CD1 3.73Å; F71-F82 HydrophobicContact CE2-CD1 3.73Å; F71-F82 HydrophobicContact CE2-CE1 4.42Å; F71-F82 HydrophobicContact CE2-CG 4.47Å; W74-F82 HydrophobicContact CE3-CB 4.34Å; W74-F82 HydrophobicContact CE3-CG 4.49Å; W74-F82 AromaticContact CH2-CD2 3.86Å; W74-F82 HydrophobicContact CH2-CD2 3.86Å; W74-F82 HydrophobicContact CH2-CE2 4.04Å; W74-F82 HydrophobicContact CH2-CG 4.26Å; W74-F82 HydrophobicContact CZ3-CB 3.79Å; W74-F82 HydrophobicContact CZ3-CD1 4.01Å; W74-F82 AromaticContact CZ3-CD2 3.6Å; W74-F82 HydrophobicContact CZ3-CD2 3.6Å; W74-F82 HydrophobicContact CZ3-CE1 4.47Å; W74-F82 HydrophobicContact CZ3-CE2 4.12Å; W74-F82 AromaticContact CZ3-CG 3.53Å; W74-F82 HydrophobicContact CZ3-CG 3.53Å; D78-F82 WeakPolarHBondContact O-CB 3.19Å; D78-F82 PolarHBondContact O-N 2.88Å; V80-F82 VanDerWaalsContact C-N 3.3Å; V80-F82 PolarHBondContact O-N 2.94Å; F82-C84 VanDerWaalsContact C-N 3.33Å; F82-C84 PolarHBondContact O-N 2.84Å; F82-N85 CarbonylContact O-C 3.45Å; F82-N85 PolarHBondContact O-N 3.2Å; F82-L86 HydrophobicContact CE1-CD2 4.01Å; F82-L86 WeakPolarHBondContact O-CB 3.47Å; F82-L86 PolarHBondContact O-N 2.95Å
83	I	85.8	Confident	86.6	Confident	75 Å²	75	88.2 Å²	88.2	39%	0.385	48%	0.478	S	S	.	.	H	α-helix	trans	-61.2	-41.3	177.5	-75.3	170.4	0	0	0	110.9	F71 Q79 V80 L86 L87	F71-I83 HydrophobicContact CE2-CD1 4.31Å; F71-I83 HydrophobicContact CE2-CG1 4.2Å; F71-I83 HydrophobicContact CZ-CD1 3.76Å; F71-I83 HydrophobicContact CZ-CG1 4.15Å; Q79-I83 WeakPolarHBondContact O-CB 3.29Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.21Å; Q79-I83 PolarHBondContact O-N 2.76Å; V80-I83 PolarHBondContact O-N 3.21Å; V80-I83 VanDerWaalsContact O-N 3.12Å; I83-L86 PolarHBondContact O-N 3.01Å; I83-L87 HydrophobicContact CG2-CD1 3.68Å; I83-L87 HydrophobicContact CG2-CG 4.2Å; I83-L87 WeakPolarHBondContact O-CB 3.49Å; I83-L87 VanDerWaalsContact O-CG 3.27Å; I83-L87 WeakPolarHBondContact O-CG 3.45Å; I83-L87 PolarHBondContact O-N 3.48Å
84	C	85.3	Confident	86.4	Confident	71 Å²	71	88 Å²	88	48%	0.48	47%	0.467	S	S	.	.	H	α-helix	trans	-64.1	-42	174.7	-72.3	0	0	0	0	112.5	V80 F82 L86 S88	V80-C84 PolarHBondContact O-N 2.83Å; V80-C84 PolarHBondContact O-SG 3.13Å; F82-C84 VanDerWaalsContact C-N 3.33Å; F82-C84 PolarHBondContact O-N 2.84Å; C84-L86 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 3.09Å; C84-S88 WeakPolarHBondContact O-CB 3.45Å; C84-S88 PolarHBondContact O-N 3.05Å; C84-S88 VanDerWaalsContact O-N 3.17Å; C84-S88 PolarHBondContact O-OG 3.21Å; C84-S88 VanDerWaalsContact O-OG 3.06Å
85	N	85.7	Confident	85.8	Confident	88 Å²	88	87.3 Å²	87.3	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-70.9	-21.3	174.7	-85.4	-79	0	0	0	114	D81 F82 S88 K89	D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.48Å; D81-N85 PolarHBondContact O-N 3.49Å; D81-N85 PolarHBondContact O-ND2 3.21Å; F82-N85 CarbonylContact O-C 3.45Å; F82-N85 PolarHBondContact O-N 3.2Å; N85-S88 PolarHBondContact O-OG 3.14Å; N85-K89 VanDerWaalsContact O-CD 3.28Å; N85-K89 WeakPolarHBondContact O-CD 3.46Å; N85-K89 WeakPolarHBondContact O-CG 3.33Å
86	L	86.6	Confident	85.3	Confident	79 Å²	79	87.1 Å²	87.1	41%	0.414	47%	0.466	S	S	.	.	H	α-helix	trans	-82.6	-51	175.3	-175.3	66.3	0	0	0	110	F82 I83 C84 S88 K89 I90	F82-L86 HydrophobicContact CE1-CD2 4.01Å; F82-L86 WeakPolarHBondContact O-CB 3.47Å; F82-L86 PolarHBondContact O-N 2.95Å; I83-L86 PolarHBondContact O-N 3.01Å; C84-L86 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 3.09Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 2.92Å; L86-K89 CarbonylContact O-C 3.54Å; L86-K89 PolarHBondContact O-N 3.12Å; L86-I90 HydrophobicContact CD1-CD1 4.32Å; L86-I90 HydrophobicContact CD1-CG1 4.49Å; L86-I90 HydrophobicContact CD2-CD1 4.31Å; L86-I90 HydrophobicContact CG-CD1 3.72Å; L86-I90 HydrophobicContact CG-CG1 4.31Å; L86-I90 VanDerWaalsContact O-CG1 3.24Å; L86-I90 WeakPolarHBondContact O-CG1 3.21Å; L86-I90 PolarHBondContact O-N 2.84Å
87	L	80.5	Confident	85.2	Confident	71 Å²	71	85.7 Å²	85.7	37%	0.372	46%	0.455	S	S	.	.	H	α-helix	trans	-59.4	-33.1	178.7	-72.2	171.4	0	0	0	113.1	I83 K89 I90 I98	I83-L87 HydrophobicContact CG2-CD1 3.68Å; I83-L87 HydrophobicContact CG2-CG 4.2Å; I83-L87 WeakPolarHBondContact O-CB 3.49Å; I83-L87 VanDerWaalsContact O-CG 3.27Å; I83-L87 WeakPolarHBondContact O-CG 3.45Å; I83-L87 PolarHBondContact O-N 3.48Å; L87-K89 VanDerWaalsContact C-N 3.28Å; L87-K89 PolarHBondContact O-N 3.35Å; L87-I90 HydrophobicContact CD2-CD1 4.42Å; L87-I98 HydrophobicContact CD2-CD1 4.1Å
88	S	84.6	Confident	84.8	Confident	88 Å²	88	86.6 Å²	86.6	62%	0.615	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.4	175	61.8	0	0	0	0	114.7	C84 N85 L86	C84-S88 WeakPolarHBondContact O-CB 3.45Å; C84-S88 PolarHBondContact O-N 3.05Å; C84-S88 VanDerWaalsContact O-N 3.17Å; C84-S88 PolarHBondContact O-OG 3.21Å; C84-S88 VanDerWaalsContact O-OG 3.06Å; N85-S88 PolarHBondContact O-OG 3.14Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 2.92Å
89	K	86	Confident	84.2	Confident	163 Å²	163	86.9 Å²	86.9	71%	0.709	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-5.9	178.5	-64.9	175	-171.1	166.6	0	113.5	N85 L86 L87	N85-K89 VanDerWaalsContact O-CD 3.28Å; N85-K89 WeakPolarHBondContact O-CD 3.46Å; N85-K89 WeakPolarHBondContact O-CG 3.33Å; L86-K89 CarbonylContact O-C 3.54Å; L86-K89 PolarHBondContact O-N 3.12Å; L87-K89 VanDerWaalsContact C-N 3.28Å; L87-K89 PolarHBondContact O-N 3.35Å
90	I	85.9	Confident	83.7	Confident	25 Å²	25	89.4 Å²	89.4	13%	0.128	47%	0.467	C	S	.	.	S	Bend	trans	-80.3	137.7	-179.5	-84.1	174.5	0	0	0	110.3	L86 L87 Q94 Q95 I98	L86-I90 HydrophobicContact CD1-CD1 4.32Å; L86-I90 HydrophobicContact CD1-CG1 4.49Å; L86-I90 HydrophobicContact CD2-CD1 4.31Å; L86-I90 HydrophobicContact CG-CD1 3.72Å; L86-I90 HydrophobicContact CG-CG1 4.31Å; L86-I90 VanDerWaalsContact O-CG1 3.24Å; L86-I90 WeakPolarHBondContact O-CG1 3.21Å; L86-I90 PolarHBondContact O-N 2.84Å; L87-I90 HydrophobicContact CD2-CD1 4.42Å; I90-Q94 HydrophobicContact CG2-CB 3.43Å; I90-Q94 VanDerWaalsContact CG2-CB 3.43Å; I90-Q95 HydrophobicContact CG2-CG 3.71Å; I90-I98 HydrophobicContact CD1-CD1 3.81Å; I90-I98 HydrophobicContact CG2-CD1 4.24Å
91	S	88.1	Confident	83.2	Confident	57 Å²	57	92.7 Å²	92.7	40%	0.399	47%	0.474	S	S	.	.			trans	-71.5	154.5	179	67.5	0	0	0	0	112.8	F93 Q94 Q95	S91-F93 PolarHBondContact O-N 3.37Å; S91-F93 VanDerWaalsContact O-N 3.08Å; S91-Q94 CarbonylContact O-C 3.53Å; S91-Q94 WeakPolarHBondContact O-CA 3.32Å; S91-Q94 WeakPolarHBondContact O-CB 3.27Å; S91-Q94 PolarHBondContact O-N 3.44Å; S91-Q94 PolarHBondContact OG-OE1 2.83Å; S91-Q95 PolarHBondContact O-N 3.12Å
92	H	81.8	Confident	82.5	Confident	157 Å²	157	91.4 Å²	91.4	73%	0.727	47%	0.467	S	S	*	.	H	α-helix	trans	-52.7	-33.7	178.7	-70.3	-46.6	0	0	0	114.3	Q95 S96	H92-Q95 PolarHBondContact ND1-OE1 2.8Å; H92-Q95 PolarHBondContact O-N 3.02Å; H92-S96 PolarHBondContact O-N 3.22Å
93	F	84.4	Confident	81.6	Confident	150 Å²	150	91.4 Å²	91.4	66%	0.658	47%	0.468	S	S	*	.	H	α-helix	trans	-65.8	-39.2	175.6	175.8	-119.3	0	0	0	112.6	S91 Q97	S91-F93 PolarHBondContact O-N 3.37Å; S91-F93 VanDerWaalsContact O-N 3.08Å; F93-Q97 PolarHBondContact O-N 2.84Å; F93-Q97 VanDerWaalsContact O-N 3.17Å
94	Q	85.6	Confident	80.5	Confident	91 Å²	91	92 Å²	92	43%	0.425	48%	0.476	S	S	.	.	H	α-helix	trans	-75.8	-34.4	174.9	-65.1	164.2	-68.8	0	0	111.5	I90 S91 S96 Q97 I98	I90-Q94 HydrophobicContact CG2-CB 3.43Å; I90-Q94 VanDerWaalsContact CG2-CB 3.43Å; S91-Q94 CarbonylContact O-C 3.53Å; S91-Q94 WeakPolarHBondContact O-CA 3.32Å; S91-Q94 WeakPolarHBondContact O-CB 3.27Å; S91-Q94 PolarHBondContact O-N 3.44Å; S91-Q94 PolarHBondContact OG-OE1 2.83Å; Q94-S96 VanDerWaalsContact C-N 3.31Å; Q94-S96 PolarHBondContact O-N 3.43Å; Q94-Q97 PolarHBondContact O-N 3.34Å; Q94-I98 VanDerWaalsContact O-CG1 3.32Å; Q94-I98 WeakPolarHBondContact O-CG1 3.35Å; Q94-I98 PolarHBondContact O-N 3.14Å
95	Q	78.4	Confident	79.3	Confident	78 Å²	78	93.7 Å²	93.7	36%	0.364	48%	0.48	S	S	.	.	H	α-helix	trans	-59.9	-41.4	170.1	-67.6	177.5	-19.7	0	0	110.9	I90 S91 H92 I98 N99	I90-Q95 HydrophobicContact CG2-CG 3.71Å; S91-Q95 PolarHBondContact O-N 3.12Å; H92-Q95 PolarHBondContact ND1-OE1 2.8Å; H92-Q95 PolarHBondContact O-N 3.02Å; Q95-I98 PolarHBondContact O-N 3.13Å; Q95-N99 WeakPolarHBondContact O-CB 3.32Å; Q95-N99 PolarHBondContact O-N 3.12Å
96	S	80.4	Confident	78.1	Confident	59 Å²	59	95 Å²	95	41%	0.413	49%	0.487	S	S	.	.	H	α-helix	trans	-58.7	-53.7	172.6	-166.1	0	0	0	0	111	H92 Q94 I98 N99 D100	H92-S96 PolarHBondContact O-N 3.22Å; Q94-S96 VanDerWaalsContact C-N 3.31Å; Q94-S96 PolarHBondContact O-N 3.43Å; S96-I98 VanDerWaalsContact C-N 3.26Å; S96-I98 PolarHBondContact O-N 3.2Å; S96-N99 CarbonylContact O-C 3.51Å; S96-N99 WeakPolarHBondContact O-CA 2.99Å; S96-N99 WeakPolarHBondContact O-CB 3.43Å; S96-N99 PolarHBondContact O-N 3.49Å; S96-D100 WeakPolarHBondContact O-CB 3.28Å; S96-D100 PolarHBondContact O-N 3.03Å; S96-D100 PolarHBondContact OG-OD2 3.49Å
97	Q	83.6	Confident	77.4	Confident	106 Å²	106	98 Å²	98	50%	0.495	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-35.8	179.2	-71.6	-177.3	42.8	0	0	113.4	F93 Q94 F101	F93-Q97 PolarHBondContact O-N 2.84Å; F93-Q97 VanDerWaalsContact O-N 3.17Å; Q94-Q97 PolarHBondContact O-N 3.34Å; Q97-F101 VanDerWaalsContact O-CB 3.31Å; Q97-F101 WeakPolarHBondContact O-CB 3.22Å; Q97-F101 PolarHBondContact O-N 2.83Å
98	I	78.9	Confident	77.1	Confident	59 Å²	59	101.1 Å²	101.1	30%	0.303	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-43.1	173.7	-71.2	166.9	0	0	0	110.3	L87 I90 Q94 Q95 S96 F101 L102	L87-I98 HydrophobicContact CD2-CD1 4.1Å; I90-I98 HydrophobicContact CD1-CD1 3.81Å; I90-I98 HydrophobicContact CG2-CD1 4.24Å; Q94-I98 VanDerWaalsContact O-CG1 3.32Å; Q94-I98 WeakPolarHBondContact O-CG1 3.35Å; Q94-I98 PolarHBondContact O-N 3.14Å; Q95-I98 PolarHBondContact O-N 3.13Å; S96-I98 VanDerWaalsContact C-N 3.26Å; S96-I98 PolarHBondContact O-N 3.2Å; I98-F101 PolarHBondContact O-N 3.36Å; I98-L102 HydrophobicContact CG2-CD1 3.7Å; I98-L102 HydrophobicContact CG2-CG 4.24Å; I98-L102 WeakPolarHBondContact O-CB 3.31Å; I98-L102 VanDerWaalsContact O-CG 3.23Å; I98-L102 WeakPolarHBondContact O-CG 3.23Å; I98-L102 PolarHBondContact O-N 3.32Å
99	N	75.7	Confident	76.9	Confident	91 Å²	91	100 Å²	100	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-43.2	176.4	-170	69	0	0	0	112.1	Q95 S96 F101 L102 E103	Q95-N99 WeakPolarHBondContact O-CB 3.32Å; Q95-N99 PolarHBondContact O-N 3.12Å; S96-N99 CarbonylContact O-C 3.51Å; S96-N99 WeakPolarHBondContact O-CA 2.99Å; S96-N99 WeakPolarHBondContact O-CB 3.43Å; S96-N99 PolarHBondContact O-N 3.49Å; N99-F101 PolarHBondContact O-N 3.36Å; N99-L102 CarbonylContact O-C 3.58Å; N99-L102 PolarHBondContact O-N 2.98Å; N99-L102 VanDerWaalsContact O-N 3.12Å; N99-E103 WeakPolarHBondContact O-CB 3.48Å; N99-E103 PolarHBondContact O-N 3.48Å
100	D	79.9	Confident	76.8	Confident	96 Å²	96	98.2 Å²	98.2	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-30.6	175.9	-58.4	-34.3	0	0	0	111.8	S96 P104	S96-D100 WeakPolarHBondContact O-CB 3.28Å; S96-D100 PolarHBondContact O-N 3.03Å; S96-D100 PolarHBondContact OG-OD2 3.49Å; D100-P104 WeakPolarHBondContact O-CD 3.36Å
101	F	74.9	Confident	76.7	Confident	154 Å²	154	97.1 Å²	97.1	68%	0.675	48%	0.477	S	S	*	.	H	α-helix	trans	-82.2	-30.4	174.1	-171.6	-92.7	0	0	0	113.3	Q97 I98 N99 L105	Q97-F101 VanDerWaalsContact O-CB 3.31Å; Q97-F101 WeakPolarHBondContact O-CB 3.22Å; Q97-F101 PolarHBondContact O-N 2.83Å; I98-F101 PolarHBondContact O-N 3.36Å; N99-F101 PolarHBondContact O-N 3.36Å; F101-L105 HydrophobicContact CD1-CD1 4.47Å; F101-L105 HydrophobicContact CE1-CD1 4.28Å
102	L	71.7	Confident	76.4	Confident	74 Å²	74	96.2 Å²	96.2	39%	0.387	47%	0.469	S	S	.	.	H	α-helix	trans	-83.5	-29.4	177.8	-72.9	175	0	0	0	113.1	I98 N99 L105 L106	I98-L102 HydrophobicContact CG2-CD1 3.7Å; I98-L102 HydrophobicContact CG2-CG 4.24Å; I98-L102 WeakPolarHBondContact O-CB 3.31Å; I98-L102 VanDerWaalsContact O-CG 3.23Å; I98-L102 WeakPolarHBondContact O-CG 3.23Å; I98-L102 PolarHBondContact O-N 3.32Å; N99-L102 CarbonylContact O-C 3.58Å; N99-L102 PolarHBondContact O-N 2.98Å; N99-L102 VanDerWaalsContact O-N 3.12Å; L102-L105 HydrophobicContact CD2-CD1 4.25Å; L102-L105 CarbonylContact O-C 3.59Å; L102-L105 WeakPolarHBondContact O-CA 3.49Å; L102-L105 WeakPolarHBondContact O-CB 3.49Å; L102-L105 PolarHBondContact O-N 3.09Å; L102-L106 HydrophobicContact CB-CD1 4.2Å; L102-L106 WeakPolarHBondContact O-CG 3.19Å; L102-L106 PolarHBondContact O-N 2.89Å
103	E	69.6	Low	76.5	Confident	88 Å²	88	89.8 Å²	89.8	41%	0.411	44%	0.443	S	S	.	.	H	α-helix	trans	-56	-41.6	-177	-155	-149	-167.6	0	0	112.9	N99 L105 L106 K107	N99-E103 WeakPolarHBondContact O-CB 3.48Å; N99-E103 PolarHBondContact O-N 3.48Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 3.5Å; E103-L106 PolarHBondContact O-N 3.23Å; E103-K107 HydrophobicContact CG-CD 4.33Å; E103-K107 WeakPolarHBondContact O-CB 3.31Å; E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.24Å; E103-K107 PolarHBondContact O-N 3.02Å; E103-K107 WeakPolarHBondContact OE1-CE 3.28Å; E103-K107 IonicContact OE1-NZ 2.69Å; E103-K107 PolarHBondContact OE1-NZ 2.75Å; E103-K107 IonicContact OE2-NZ 3.98Å; E103-K107 PolarHBondContact OE2-NZ 3.48Å
104	P	63.5	Low	76.4	Confident	86 Å²	86	84 Å²	84	56%	0.558	42%	0.419	S	S	*	.	H	α-helix	trans	-66.8	-25.8	172.5	-20.8	34.6	0	0	0	114.3	D100	D100-P104 WeakPolarHBondContact O-CD 3.36Å
105	L	60.4	Low	76.2	Confident	108 Å²	108	81.7 Å²	81.7	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-82.6	-27.8	177.3	-63.7	170.2	0	0	0	112	F101 L102 E103	F101-L105 HydrophobicContact CD1-CD1 4.47Å; F101-L105 HydrophobicContact CE1-CD1 4.28Å; L102-L105 HydrophobicContact CD2-CD1 4.25Å; L102-L105 CarbonylContact O-C 3.59Å; L102-L105 WeakPolarHBondContact O-CA 3.49Å; L102-L105 WeakPolarHBondContact O-CB 3.49Å; L102-L105 PolarHBondContact O-N 3.09Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 3.5Å
106	L	60.5	Low	76.3	Confident	116 Å²	116	84.4 Å²	84.4	61%	0.607	43%	0.425	S	S	*	.	H	α-helix	trans	-79.8	-32.7	174.2	-67.3	167.9	0	0	0	112.2	L102 E103 R108	L102-L106 HydrophobicContact CB-CD1 4.2Å; L102-L106 WeakPolarHBondContact O-CG 3.19Å; L102-L106 PolarHBondContact O-N 2.89Å; E103-L106 PolarHBondContact O-N 3.23Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 3Å
107	K	70.9	Confident	76.5	Confident	140 Å²	140	89.7 Å²	89.7	61%	0.609	44%	0.436	S	S	*	.			trans	-71.3	73.3	174.6	-76.7	170.9	177.1	170.2	0	112.1	E103	E103-K107 HydrophobicContact CG-CD 4.33Å; E103-K107 WeakPolarHBondContact O-CB 3.31Å; E103-K107 VanDerWaalsContact O-CG 3.29Å; E103-K107 WeakPolarHBondContact O-CG 3.24Å; E103-K107 PolarHBondContact O-N 3.02Å; E103-K107 WeakPolarHBondContact OE1-CE 3.28Å; E103-K107 IonicContact OE1-NZ 2.69Å; E103-K107 PolarHBondContact OE1-NZ 2.75Å; E103-K107 IonicContact OE2-NZ 3.98Å; E103-K107 PolarHBondContact OE2-NZ 3.48Å
108	R	73.6	Confident	76.3	Confident	137 Å²	137	87.6 Å²	87.6	52%	0.517	44%	0.443	S	S	.	.			trans	-97.6	136.7	177.9	-147.4	171.7	-164.6	103.7	5	111.2	L106 F110	L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 3Å; R108-F110 HydrophobicContact CB-CE2 4.49Å; R108-F110 HydrophobicContact CB-CZ 4.47Å; R108-F110 WeakPolarHBondContact O-CD2 3.32Å; R108-F110 WeakPolarHBondContact O-CE2 3.38Å; R108-F110 PolarHBondContact O-N 2.89Å
109	D	81.2	Confident	76.6	Confident	65 Å²	65	86.7 Å²	86.7	35%	0.348	44%	0.44	S	S	.	.			trans	-69.9	94.1	166.4	-176.2	-26.7	0	0	0	108.6	I111 V112 A113 W145	D109-I111 PolarHBondContact OD1-N 3.36Å; D109-V112 HydrophobicContact CB-CB 4.48Å; D109-V112 PolarHBondContact OD1-N 3.44Å; D109-V112 VanDerWaalsContact OD2-CG2 3.31Å; D109-V112 WeakPolarHBondContact OD2-CG2 3.48Å; D109-A113 WeakPolarHBondContact O-CB 3.15Å; D109-A113 PolarHBondContact O-N 3.05Å; D109-W145 PolarHBondContact OD1-NE1 2.8Å; D109-W145 PolarHBondContact OD2-NE1 3.29Å
110	F	84.1	Confident	77	Confident	125 Å²	125	85 Å²	85	55%	0.548	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-40.4	-177.5	-70.3	-83.9	0	0	0	112.3	R108 A113 L114	R108-F110 HydrophobicContact CB-CE2 4.49Å; R108-F110 HydrophobicContact CB-CZ 4.47Å; R108-F110 WeakPolarHBondContact O-CD2 3.32Å; R108-F110 WeakPolarHBondContact O-CE2 3.38Å; R108-F110 PolarHBondContact O-N 2.89Å; F110-A113 PolarHBondContact O-N 3.16Å; F110-L114 HydrophobicContact CB-CD1 4.43Å; F110-L114 WeakPolarHBondContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CD1 3.45Å; F110-L114 WeakPolarHBondContact O-CG 3.39Å; F110-L114 PolarHBondContact O-N 2.94Å
111	I	84.4	Confident	77.2	Confident	3 Å²	3	86.6 Å²	86.6	2%	0.015	43%	0.434	C	S	.	.	H	α-helix	trans	-64.9	-51.4	-175.3	-60.6	-54.6	0	0	0	110.4	D109 Q115 A123 I126 L127 W145 S148	D109-I111 PolarHBondContact OD1-N 3.36Å; I111-Q115 WeakPolarHBondContact O-CG 3.42Å; I111-Q115 PolarHBondContact O-N 3.1Å; I111-A123 HydrophobicContact CD1-CB 4.03Å; I111-A123 HydrophobicContact CG2-CB 4.24Å; I111-I126 HydrophobicContact CD1-CB 4.4Å; I111-I126 HydrophobicContact CD1-CG2 4.18Å; I111-L127 HydrophobicContact CD1-CD1 4.06Å; I111-L127 HydrophobicContact CD1-CD2 3.85Å; I111-L127 HydrophobicContact CD1-CG 3.75Å; I111-L127 HydrophobicContact CG1-CD1 4.47Å; I111-L127 HydrophobicContact CG1-CD2 4.2Å; I111-L127 HydrophobicContact CG1-CG 4.46Å; I111-L127 HydrophobicContact CG2-CD1 4.06Å; I111-W145 HydrophobicContact CB-CD2 4.23Å; I111-W145 HydrophobicContact CB-CZ2 3.87Å; I111-W145 HydrophobicContact CG1-CD2 4.12Å; I111-W145 HydrophobicContact CG1-CE3 4.31Å; I111-W145 HydrophobicContact CG1-CH2 3.69Å; I111-W145 HydrophobicContact CG1-CZ2 3.51Å; I111-W145 HydrophobicContact CG1-CZ3 4.1Å; I111-W145 HydrophobicContact CG2-CG 4.44Å; I111-S148 WeakPolarHBondContact CG2-OG 3.27Å
112	V	81.3	Confident	77.8	Confident	37 Å²	37	82.1 Å²	82.1	22%	0.224	42%	0.417	C	S	.	.	H	α-helix	trans	-71.7	-36.4	179.2	178.7	0	0	0	0	111.2	D109 N116	D109-V112 HydrophobicContact CB-CB 4.48Å; D109-V112 PolarHBondContact OD1-N 3.44Å; D109-V112 VanDerWaalsContact OD2-CG2 3.31Å; D109-V112 WeakPolarHBondContact OD2-CG2 3.48Å; V112-N116 WeakPolarHBondContact O-CB 3.31Å; V112-N116 PolarHBondContact O-N 3.17Å; V112-N116 PolarHBondContact O-ND2 3.44Å
113	A	82.7	Confident	78.4	Confident	22 Å²	22	78.6 Å²	78.6	18%	0.182	40%	0.398	C	S	.	.	H	α-helix	trans	-69.9	-32.5	177.4	0	0	0	0	0	113.5	D109 F110 R117	D109-A113 WeakPolarHBondContact O-CB 3.15Å; D109-A113 PolarHBondContact O-N 3.05Å; F110-A113 PolarHBondContact O-N 3.16Å; A113-R117 WeakPolarHBondContact O-CB 3.32Å; A113-R117 WeakPolarHBondContact O-CD 3.41Å; A113-R117 WeakPolarHBondContact O-CG 3.48Å; A113-R117 PolarHBondContact O-N 3.3Å; A113-R117 VanDerWaalsContact O-N 3.14Å
114	L	83.9	Confident	79.3	Confident	29 Å²	29	76.3 Å²	76.3	15%	0.152	39%	0.388	C	S	.	.	H	α-helix	trans	-71.1	-41.8	175.7	-73.3	167.1	0	0	0	111	F110 R117 G118 V119 L122 A123 I126	F110-L114 HydrophobicContact CB-CD1 4.43Å; F110-L114 WeakPolarHBondContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CD1 3.45Å; F110-L114 WeakPolarHBondContact O-CG 3.39Å; F110-L114 PolarHBondContact O-N 2.94Å; L114-R117 PolarHBondContact O-N 3.31Å; L114-G118 PolarHBondContact O-N 2.92Å; L114-V119 HydrophobicContact CB-CG2 4.07Å; L114-V119 HydrophobicContact CD2-CG2 3.52Å; L114-V119 HydrophobicContact CG-CG2 4.42Å; L114-V119 CarbonylContact O-C 3.56Å; L114-V119 VanDerWaalsContact O-CG2 3.27Å; L114-V119 WeakPolarHBondContact O-CG2 3.27Å; L114-V119 PolarHBondContact O-N 2.99Å; L114-L122 HydrophobicContact CD1-CB 3.92Å; L114-L122 HydrophobicContact CD2-CB 4.05Å; L114-L122 HydrophobicContact CD2-CD1 3.94Å; L114-L122 HydrophobicContact CG-CB 4.45Å; L114-A123 HydrophobicContact CB-CB 4.18Å; L114-A123 HydrophobicContact CD1-CB 4.4Å; L114-I126 HydrophobicContact CD1-CD1 3.94Å
115	Q	80.1	Confident	80.4	Confident	43 Å²	43	78 Å²	78	20%	0.201	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-52.3	172	-74.5	173.1	-19.8	0	0	111.7	I111 R117 G118 P120 A123 S148 Y152	I111-Q115 WeakPolarHBondContact O-CG 3.42Å; I111-Q115 PolarHBondContact O-N 3.1Å; Q115-R117 PolarHBondContact O-N 2.83Å; Q115-R117 VanDerWaalsContact O-N 3.09Å; Q115-G118 PolarHBondContact O-N 2.73Å; Q115-P120 HydrophobicContact CG-CB 4.37Å; Q115-A123 HydrophobicContact CG-CB 4.43Å; Q115-S148 PolarHBondContact NE2-OG 3.31Å; Q115-S148 PolarHBondContact OE1-OG 2.96Å; Q115-Y152 PolarHBondContact NE2-OH 3.12Å; Q115-Y152 VanDerWaalsContact NE2-OH 3.1Å
116	N	82.1	Confident	81.8	Confident	134 Å²	134	77 Å²	77	72%	0.717	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.1	179.8	-67.7	-8.7	0	0	0	114	V112	V112-N116 WeakPolarHBondContact O-CB 3.31Å; V112-N116 PolarHBondContact O-N 3.17Å; V112-N116 PolarHBondContact O-ND2 3.44Å
117	R	83.9	Confident	83.1	Confident	170 Å²	170	71.7 Å²	71.7	64%	0.642	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	7.6	174.6	-77.4	174.1	165.5	-166.8	-7.8	113.7	A113 L114 Q115 V119	A113-R117 WeakPolarHBondContact O-CB 3.32Å; A113-R117 WeakPolarHBondContact O-CD 3.41Å; A113-R117 WeakPolarHBondContact O-CG 3.48Å; A113-R117 PolarHBondContact O-N 3.3Å; A113-R117 VanDerWaalsContact O-N 3.14Å; L114-R117 PolarHBondContact O-N 3.31Å; Q115-R117 PolarHBondContact O-N 2.83Å; Q115-R117 VanDerWaalsContact O-N 3.09Å; R117-V119 VanDerWaalsContact C-N 3.3Å; R117-V119 HydrophobicContact CB-CG2 4.25Å; R117-V119 PolarHBondContact O-N 2.77Å
118	G	78.9	Confident	84	Confident	62 Å²	62	67.9 Å²	67.9	64%	0.639	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	18.6	179.4	0	0	0	0	0	114.4	L114 Q115 P120	L114-G118 PolarHBondContact O-N 2.92Å; Q115-G118 PolarHBondContact O-N 2.73Å; G118-P120 WeakPolarHBondContact O-CD 3.18Å
119	V	84.7	Confident	84.7	Confident	40 Å²	40	69.1 Å²	69.1	24%	0.242	36%	0.356	C	S	.	.			trans	-119.2	53.6	175	-67.5	0	0	0	0	111.9	L114 R117 Y121 L122	L114-V119 HydrophobicContact CB-CG2 4.07Å; L114-V119 HydrophobicContact CD2-CG2 3.52Å; L114-V119 HydrophobicContact CG-CG2 4.42Å; L114-V119 CarbonylContact O-C 3.56Å; L114-V119 VanDerWaalsContact O-CG2 3.27Å; L114-V119 WeakPolarHBondContact O-CG2 3.27Å; L114-V119 PolarHBondContact O-N 2.99Å; R117-V119 VanDerWaalsContact C-N 3.3Å; R117-V119 HydrophobicContact CB-CG2 4.25Å; R117-V119 PolarHBondContact O-N 2.77Å; V119-Y121 HydrophobicContact CB-CD1 4.37Å; V119-Y121 HydrophobicContact CB-CE1 3.92Å; V119-Y121 HydrophobicContact CG1-CE1 4.02Å; V119-Y121 PolarHBondContact O-N 2.94Å; V119-L122 HydrophobicContact CB-CD1 4.08Å; V119-L122 HydrophobicContact CB-CG 4.43Å; V119-L122 HydrophobicContact CG2-CD1 4.13Å; V119-L122 PolarHBondContact O-N 3.43Å; V119-L122 VanDerWaalsContact O-N 3.14Å
120	P	83.9	Confident	85.1	Confident	56 Å²	56	68.3 Å²	68.3	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-32.2	-175.5	25.6	-35.1	0	0	0	113.1	Q115 G118 L122 A123 E124 Y152	Q115-P120 HydrophobicContact CG-CB 4.37Å; G118-P120 WeakPolarHBondContact O-CD 3.18Å; P120-L122 PolarHBondContact O-N 3.06Å; P120-A123 WeakPolarHBondContact O-CB 3.31Å; P120-A123 PolarHBondContact O-N 3.24Å; P120-E124 PolarHBondContact O-N 3.1Å; P120-Y152 WeakPolarHBondContact CA-OH 3.33Å; P120-Y152 HydrophobicContact CB-CE1 4.49Å; P120-Y152 WeakPolarHBondContact CB-OH 3.05Å; P120-Y152 PolarHBondContact O-OH 2.88Å
121	Y	84.9	Confident	85.5	Confident	129 Å²	129	65.4 Å²	65.4	51%	0.506	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-28.7	178.7	76.8	-85.8	0	0	0	113.4	V119 E124 M125	V119-Y121 HydrophobicContact CB-CD1 4.37Å; V119-Y121 HydrophobicContact CB-CE1 3.92Å; V119-Y121 HydrophobicContact CG1-CE1 4.02Å; V119-Y121 PolarHBondContact O-N 2.94Å; Y121-E124 WeakPolarHBondContact O-CB 3.23Å; Y121-E124 PolarHBondContact O-N 2.99Å; Y121-M125 HydrophobicContact CD2-SD 4.25Å; Y121-M125 WeakPolarHBondContact O-CB 3.44Å; Y121-M125 VanDerWaalsContact O-CG 3.32Å; Y121-M125 WeakPolarHBondContact O-CG 3.27Å; Y121-M125 PolarHBondContact O-N 2.92Å
122	L	86.9	Confident	85.8	Confident	60 Å²	60	65.9 Å²	65.9	31%	0.314	35%	0.346	S	S	.	.	H	α-helix	trans	-72	-38.2	175.3	-68.7	177.7	0	0	0	111.4	L114 V119 P120 E124 M125 I126	L114-L122 HydrophobicContact CD1-CB 3.92Å; L114-L122 HydrophobicContact CD2-CB 4.05Å; L114-L122 HydrophobicContact CD2-CD1 3.94Å; L114-L122 HydrophobicContact CG-CB 4.45Å; V119-L122 HydrophobicContact CB-CD1 4.08Å; V119-L122 HydrophobicContact CB-CG 4.43Å; V119-L122 HydrophobicContact CG2-CD1 4.13Å; V119-L122 PolarHBondContact O-N 3.43Å; V119-L122 VanDerWaalsContact O-N 3.14Å; P120-L122 PolarHBondContact O-N 3.06Å; L122-E124 VanDerWaalsContact C-N 3.34Å; L122-M125 PolarHBondContact O-N 2.88Å; L122-I126 WeakPolarHBondContact O-CD1 3.39Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 3.18Å; L122-I126 VanDerWaalsContact O-N 3.16Å
123	A	85.4	Confident	86.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-38.9	172.3	0	0	0	0	0	111.1	I111 L114 Q115 P120 L127 Y152	I111-A123 HydrophobicContact CD1-CB 4.03Å; I111-A123 HydrophobicContact CG2-CB 4.24Å; L114-A123 HydrophobicContact CB-CB 4.18Å; L114-A123 HydrophobicContact CD1-CB 4.4Å; Q115-A123 HydrophobicContact CG-CB 4.43Å; P120-A123 WeakPolarHBondContact O-CB 3.31Å; P120-A123 PolarHBondContact O-N 3.24Å; A123-L127 VanDerWaalsContact O-CG 3.24Å; A123-L127 WeakPolarHBondContact O-CG 3.28Å; A123-L127 PolarHBondContact O-N 2.95Å; A123-L127 VanDerWaalsContact O-N 3.12Å; A123-Y152 HydrophobicContact CB-CE2 4.33Å
124	E	87.6	Confident	86.9	Confident	41 Å²	41	69.2 Å²	69.2	19%	0.192	37%	0.37	C	S	.	.	H	α-helix	trans	-59	-53.3	172.1	-177.1	-167.8	150.2	0	0	111.8	P120 Y121 L122 I126 L127 V128 Y152 R157	P120-E124 PolarHBondContact O-N 3.1Å; Y121-E124 WeakPolarHBondContact O-CB 3.23Å; Y121-E124 PolarHBondContact O-N 2.99Å; L122-E124 VanDerWaalsContact C-N 3.34Å; E124-I126 VanDerWaalsContact C-N 3.27Å; E124-I126 PolarHBondContact O-N 2.89Å; E124-L127 PolarHBondContact O-N 3.16Å; E124-L127 VanDerWaalsContact O-N 3.1Å; E124-V128 HydrophobicContact CG-CG2 4.13Å; E124-V128 WeakPolarHBondContact O-CB 3.37Å; E124-V128 VanDerWaalsContact O-CG2 3.28Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.48Å; E124-Y152 HydrophobicContact CB-CD1 4.2Å; E124-Y152 HydrophobicContact CB-CD2 3.88Å; E124-Y152 HydrophobicContact CB-CE1 4.26Å; E124-Y152 HydrophobicContact CB-CE2 3.9Å; E124-Y152 HydrophobicContact CB-CG 4.04Å; E124-Y152 HydrophobicContact CG-CD1 4.25Å; E124-Y152 HydrophobicContact CG-CD2 4.21Å; E124-Y152 HydrophobicContact CG-CG 3.98Å; E124-R157 VanDerWaalsContact CD-NH1 3.29Å; E124-R157 IonicContact OE1-CZ 3.83Å; E124-R157 IonicContact OE1-NH1 3.73Å; E124-R157 PolarHBondContact OE1-NH1 3.43Å; E124-R157 IonicContact OE1-NH2 2.75Å; E124-R157 PolarHBondContact OE1-NH2 3.47Å
125	M	87.8	Confident	87.2	Confident	121 Å²	121	67.9 Å²	67.9	60%	0.596	36%	0.363	S	S	*	.	H	α-helix	trans	-57	-37.7	-179.3	-77.4	-178.7	69.8	0	0	113.2	Y121 L122	Y121-M125 HydrophobicContact CD2-SD 4.25Å; Y121-M125 WeakPolarHBondContact O-CB 3.44Å; Y121-M125 VanDerWaalsContact O-CG 3.32Å; Y121-M125 WeakPolarHBondContact O-CG 3.27Å; Y121-M125 PolarHBondContact O-N 2.92Å; L122-M125 PolarHBondContact O-N 2.88Å
126	I	88.5	Confident	87.8	Confident	87 Å²	87	69.5 Å²	69.5	45%	0.446	37%	0.372	S	S	.	.	H	α-helix	trans	-66.2	-49.2	175.5	-68.5	163.8	0	0	0	110.6	I111 L114 L122 E124 V128 Q129	I111-I126 HydrophobicContact CD1-CB 4.4Å; I111-I126 HydrophobicContact CD1-CG2 4.18Å; L114-I126 HydrophobicContact CD1-CD1 3.94Å; L122-I126 WeakPolarHBondContact O-CD1 3.39Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 3.18Å; L122-I126 VanDerWaalsContact O-N 3.16Å; E124-I126 VanDerWaalsContact C-N 3.27Å; E124-I126 PolarHBondContact O-N 2.89Å; I126-V128 PolarHBondContact O-N 3.17Å; I126-Q129 PolarHBondContact O-N 2.71Å
127	L	88.6	Confident	88.2	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-75.5	-23	-173.3	-62.8	174.6	0	0	0	113.7	I111 A123 E124 Q129 L130 V138 L154	I111-L127 HydrophobicContact CD1-CD1 4.06Å; I111-L127 HydrophobicContact CD1-CD2 3.85Å; I111-L127 HydrophobicContact CD1-CG 3.75Å; I111-L127 HydrophobicContact CG1-CD1 4.47Å; I111-L127 HydrophobicContact CG1-CD2 4.2Å; I111-L127 HydrophobicContact CG1-CG 4.46Å; I111-L127 HydrophobicContact CG2-CD1 4.06Å; A123-L127 VanDerWaalsContact O-CG 3.24Å; A123-L127 WeakPolarHBondContact O-CG 3.28Å; A123-L127 PolarHBondContact O-N 2.95Å; A123-L127 VanDerWaalsContact O-N 3.12Å; E124-L127 PolarHBondContact O-N 3.16Å; E124-L127 VanDerWaalsContact O-N 3.1Å; L127-Q129 VanDerWaalsContact C-N 3.26Å; L127-Q129 PolarHBondContact O-N 3.09Å; L127-L130 HydrophobicContact CB-CD1 4.39Å; L127-L130 HydrophobicContact CD2-CD1 3.72Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 WeakPolarHBondContact O-CG 3.37Å; L127-L130 PolarHBondContact O-N 3.35Å; L127-V138 HydrophobicContact CD2-CG1 3.86Å; L127-V138 HydrophobicContact CD2-CG2 4.14Å; L127-L154 HydrophobicContact CB-CD1 3.37Å; L127-L154 HydrophobicContact CD1-CD1 4.15Å; L127-L154 HydrophobicContact CG-CD1 4.38Å
128	V	89.3	Confident	88.5	Confident	61 Å²	61	59.4 Å²	59.4	37%	0.37	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-24.1	176	164.6	0	0	0	0	112.9	E124 I126 L130 L154	E124-V128 HydrophobicContact CG-CG2 4.13Å; E124-V128 WeakPolarHBondContact O-CB 3.37Å; E124-V128 VanDerWaalsContact O-CG2 3.28Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.48Å; I126-V128 PolarHBondContact O-N 3.17Å; V128-L130 VanDerWaalsContact C-N 3.26Å; V128-L130 PolarHBondContact O-N 2.87Å; V128-L154 HydrophobicContact CG2-CD2 3.57Å
129	Q	88.1	Confident	89	Confident	162 Å²	162	56.9 Å²	56.9	76%	0.757	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.5	-180	-58.3	-59.2	-32.1	0	0	114.1	I126 L127	I126-Q129 PolarHBondContact O-N 2.71Å; L127-Q129 VanDerWaalsContact C-N 3.26Å; L127-Q129 PolarHBondContact O-N 3.09Å
130	L	90.4	Very high	89.3	Confident	48 Å²	48	61.7 Å²	61.7	25%	0.251	33%	0.333	S	S	.	.			trans	-83.5	142.4	-171.7	-60.5	179.4	0	0	0	113	L127 V128 L135 V138	L127-L130 HydrophobicContact CB-CD1 4.39Å; L127-L130 HydrophobicContact CD2-CD1 3.72Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 WeakPolarHBondContact O-CG 3.37Å; L127-L130 PolarHBondContact O-N 3.35Å; V128-L130 VanDerWaalsContact C-N 3.26Å; V128-L130 PolarHBondContact O-N 2.87Å; L130-L135 HydrophobicContact CB-CB 4.49Å; L130-V138 HydrophobicContact CD1-CB 4.43Å; L130-V138 HydrophobicContact CD1-CG2 3.57Å
131	D	91.7	Very high	89.5	Confident	64 Å²	64	62.1 Å²	62.1	34%	0.342	34%	0.341	S	S	.	.			trans	-74.5	168.3	168	95.9	-64	0	0	0	111.3	S133 S134 L135	D131-S133 PolarHBondContact O-N 3.4Å; D131-S133 PolarHBondContact OD1-N 2.88Å; D131-S133 WeakPolarHBondContact OD2-CB 3.27Å; D131-S133 PolarHBondContact OD2-N 3.16Å; D131-S133 PolarHBondContact OD2-OG 2.93Å; D131-S134 PolarHBondContact O-N 3.17Å; D131-S134 WeakPolarHBondContact OD1-CB 3.36Å; D131-S134 PolarHBondContact OD1-N 3.06Å; D131-S134 PolarHBondContact OD1-OG 3.45Å; D131-L135 VanDerWaalsContact O-CB 3.29Å; D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 2.84Å
132	A	91.6	Very high	89.6	Confident	14 Å²	14	57.9 Å²	57.9	12%	0.116	33%	0.33	C	S	.	.	H	α-helix	trans	-57.4	-33.8	-179.7	0	0	0	0	0	113.5	L136 W155 L158 Y334	A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 PolarHBondContact O-N 3.38Å; A132-W155 HydrophobicContact CB-CH2 4.13Å; A132-W155 HydrophobicContact CB-CZ3 3.99Å; A132-L158 HydrophobicContact CB-CD2 3.97Å; A132-Y334 HydrophobicContact CB-CD1 4.27Å; A132-Y334 HydrophobicContact CB-CE1 3.51Å; A132-Y334 HydrophobicContact CB-CE2 4.4Å
133	S	92.7	Very high	89.6	Confident	78 Å²	78	65.7 Å²	65.7	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-70.8	-45.6	-179.4	-35.4	0	0	0	0	111.1	D131 S137	D131-S133 PolarHBondContact O-N 3.4Å; D131-S133 PolarHBondContact OD1-N 2.88Å; D131-S133 WeakPolarHBondContact OD2-CB 3.27Å; D131-S133 PolarHBondContact OD2-N 3.16Å; D131-S133 PolarHBondContact OD2-OG 2.93Å; S133-S137 PolarHBondContact O-N 3.03Å; S133-S137 VanDerWaalsContact O-N 3.1Å; S133-S137 PolarHBondContact O-OG 2.92Å
134	S	93.2	Very high	89.5	Confident	50 Å²	50	67 Å²	67	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-40.6	175.3	-55.5	0	0	0	0	111.5	D131 S137 V138	D131-S134 PolarHBondContact O-N 3.17Å; D131-S134 WeakPolarHBondContact OD1-CB 3.36Å; D131-S134 PolarHBondContact OD1-N 3.06Å; D131-S134 PolarHBondContact OD1-OG 3.45Å; S134-S137 CarbonylContact O-C 3.5Å; S134-S137 WeakPolarHBondContact O-CB 3.41Å; S134-S137 PolarHBondContact O-N 3.11Å; S134-S137 VanDerWaalsContact O-N 3.13Å; S134-V138 WeakPolarHBondContact O-CG2 3.43Å; S134-V138 PolarHBondContact O-N 3.15Å
135	L	91.9	Very high	89.6	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-41.6	178.1	-171	64.7	0	0	0	112.1	L130 D131 S137 V138 E139 V149 L154 W155 L158	L130-L135 HydrophobicContact CB-CB 4.49Å; D131-L135 VanDerWaalsContact O-CB 3.29Å; D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 2.84Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.26Å; L135-V138 WeakPolarHBondContact O-CB 3.36Å; L135-V138 PolarHBondContact O-N 3.29Å; L135-E139 PolarHBondContact O-N 2.84Å; L135-V149 HydrophobicContact CD1-CG1 3.89Å; L135-V149 HydrophobicContact CD1-CG2 3.8Å; L135-V149 HydrophobicContact CG-CG1 4.22Å; L135-L154 HydrophobicContact CD1-CB 3.89Å; L135-L154 HydrophobicContact CD1-CD1 3.84Å; L135-L154 HydrophobicContact CD2-CB 4.07Å; L135-W155 HydrophobicContact CB-CZ2 4.42Å; L135-W155 HydrophobicContact CD2-CD2 3.79Å; L135-W155 HydrophobicContact CD2-CE3 4.15Å; L135-W155 HydrophobicContact CD2-CG 4.15Å; L135-W155 HydrophobicContact CD2-CH2 4.38Å; L135-W155 HydrophobicContact CD2-CZ2 4.05Å; L135-W155 HydrophobicContact CD2-CZ3 4.43Å; L135-W155 HydrophobicContact CG-CZ2 4.18Å; L135-L158 HydrophobicContact CD2-CD2 4.11Å
136	L	91.7	Very high	89.7	Confident	76 Å²	76	65.1 Å²	65.1	40%	0.398	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-38.5	171.5	-178.2	63.8	0	0	0	112	A132 E139 L140 W155	A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 PolarHBondContact O-N 3.38Å; L136-E139 PolarHBondContact O-N 3.44Å; L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.17Å; L136-W155 HydrophobicContact CB-CZ2 4.43Å
137	S	91	Very high	89.8	Confident	77 Å²	77	65 Å²	65	54%	0.538	35%	0.35	S	S	.	.	H	α-helix	trans	-67.6	-36.8	177.3	-55.8	0	0	0	0	112.3	S133 S134 L135 L140 A141	S133-S137 PolarHBondContact O-N 3.03Å; S133-S137 VanDerWaalsContact O-N 3.1Å; S133-S137 PolarHBondContact O-OG 2.92Å; S134-S137 CarbonylContact O-C 3.5Å; S134-S137 WeakPolarHBondContact O-CB 3.41Å; S134-S137 PolarHBondContact O-N 3.11Å; S134-S137 VanDerWaalsContact O-N 3.13Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.26Å; S137-L140 PolarHBondContact O-N 3.47Å; S137-A141 PolarHBondContact O-N 2.86Å
138	V	89.8	Confident	89.8	Confident	15 Å²	15	64.9 Å²	64.9	9%	0.091	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-43.5	174.6	154.6	0	0	0	0	111.9	L127 L130 S134 L135 L140 A141 W145 V149	L127-V138 HydrophobicContact CD2-CG1 3.86Å; L127-V138 HydrophobicContact CD2-CG2 4.14Å; L130-V138 HydrophobicContact CD1-CB 4.43Å; L130-V138 HydrophobicContact CD1-CG2 3.57Å; S134-V138 WeakPolarHBondContact O-CG2 3.43Å; S134-V138 PolarHBondContact O-N 3.15Å; L135-V138 WeakPolarHBondContact O-CB 3.36Å; L135-V138 PolarHBondContact O-N 3.29Å; V138-L140 VanDerWaalsContact C-N 3.26Å; V138-L140 PolarHBondContact O-N 3.49Å; V138-A141 WeakPolarHBondContact O-CB 3.4Å; V138-A141 PolarHBondContact O-N 2.95Å; V138-W145 HydrophobicContact CB-CE3 4.15Å; V138-W145 HydrophobicContact CG1-CB 4.28Å; V138-W145 HydrophobicContact CG1-CE3 3.84Å; V138-W145 HydrophobicContact CG2-CE3 3.91Å; V138-W145 HydrophobicContact CG2-CZ3 3.95Å; V138-W145 VanDerWaalsContact O-CB 3.24Å; V138-W145 WeakPolarHBondContact O-CB 3.2Å; V138-V149 HydrophobicContact CG1-CG2 3.49Å; V138-V149 VanDerWaalsContact CG1-CG2 3.49Å
139	E	89.4	Confident	89.9	Confident	10 Å²	10	62 Å²	62	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-31.5	176.5	-68.9	179	176.6	0	0	113.4	L135 L136 A141 Q146 V149 W155 H327 K331	L135-E139 PolarHBondContact O-N 2.84Å; L136-E139 PolarHBondContact O-N 3.44Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-Q146 HydrophobicContact CB-CB 4.46Å; E139-Q146 HydrophobicContact CB-CG 4.38Å; E139-Q146 HydrophobicContact CG-CG 4.38Å; E139-V149 HydrophobicContact CG-CB 4.04Å; E139-V149 HydrophobicContact CG-CG1 3.91Å; E139-V149 HydrophobicContact CG-CG2 3.98Å; E139-V149 VanDerWaalsContact OE1-CG1 3.28Å; E139-V149 WeakPolarHBondContact OE1-CG1 3.46Å; E139-W155 PolarHBondContact OE1-NE1 3.06Å; E139-H327 IonicContact OE1-CE1 3.19Å; E139-H327 PolarHBondContact OE1-CE1 2.86Å; E139-H327 IonicContact OE1-ND1 2.77Å; E139-H327 IonicContact OE1-NE2 2.58Å; E139-K331 VanDerWaalsContact OE2-CE 3.29Å; E139-K331 WeakPolarHBondContact OE2-CE 3.22Å; E139-K331 IonicContact OE2-NZ 3.05Å; E139-K331 PolarHBondContact OE2-NZ 3.39Å
140	L	90.1	Very high	90.1	Very high	141 Å²	141	54.3 Å²	54.3	74%	0.738	30%	0.296	S	S	*	.	H	α-helix	trans	-77.7	-14.2	178.6	-65.7	171.7	0	0	0	112.9	L136 S137 V138	L136-L140 WeakPolarHBondContact O-CG 3.28Å; L136-L140 PolarHBondContact O-N 3.17Å; S137-L140 PolarHBondContact O-N 3.47Å; V138-L140 VanDerWaalsContact C-N 3.26Å; V138-L140 PolarHBondContact O-N 3.49Å
141	A	88.4	Confident	89.9	Confident	64 Å²	64	54.6 Å²	54.6	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-70.6	-45.7	-178.9	0	0	0	0	0	112.9	S137 V138 E139 W145	S137-A141 PolarHBondContact O-N 2.86Å; V138-A141 WeakPolarHBondContact O-CB 3.4Å; V138-A141 PolarHBondContact O-N 2.95Å; E139-A141 VanDerWaalsContact C-N 3.29Å; A141-W145 HydrophobicContact CB-CD2 4.19Å; A141-W145 HydrophobicContact CB-CE3 4.05Å; A141-W145 HydrophobicContact CB-CG 4.39Å
142	S	87.6	Confident	89.8	Confident	41 Å²	41	52.3 Å²	52.3	29%	0.287	28%	0.282	S	S	.	.			trans	-164.6	164.2	174.1	76.8	0	0	0	0	113	G144 W145 Q146	S142-G144 PolarHBondContact O-N 2.98Å; S142-G144 PolarHBondContact OG-N 2.89Å; S142-W145 PolarHBondContact O-N 3.39Å; S142-W145 VanDerWaalsContact O-N 3.17Å; S142-W145 PolarHBondContact OG-N 2.97Å; S142-W145 VanDerWaalsContact OG-N 3.12Å; S142-Q146 PolarHBondContact O-N 3.04Å
143	R	86.6	Confident	89.7	Confident	224 Å²	224	52.4 Å²	52.4	85%	0.845	28%	0.28	S	S	*	.	H	α-helix	trans	-59.5	-31.9	170.9	-73.2	-175.9	176.3	178.4	-2.5	113.3	W147	R143-W147 VanDerWaalsContact O-CB 3.32Å; R143-W147 WeakPolarHBondContact O-CB 3.45Å; R143-W147 PolarHBondContact O-N 2.78Å
144	G	84.3	Confident	89.7	Confident	26 Å²	26	48.9 Å²	48.9	27%	0.268	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-39.3	175.8	0	0	0	0	0	111.9	S142 W147 S148	S142-G144 PolarHBondContact O-N 2.98Å; S142-G144 PolarHBondContact OG-N 2.89Å; G144-W147 PolarHBondContact O-N 3.18Å; G144-S148 PolarHBondContact O-N 2.86Å; G144-S148 PolarHBondContact O-OG 3.45Å
145	W	89.2	Confident	89.7	Confident	61 Å²	61	47.2 Å²	47.2	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-70.7	-42.3	175.8	-71	42.6	0	0	0	110.7	D109 I111 V138 A141 S142 W147 S148 V149	D109-W145 PolarHBondContact OD1-NE1 2.8Å; D109-W145 PolarHBondContact OD2-NE1 3.29Å; I111-W145 HydrophobicContact CB-CD2 4.23Å; I111-W145 HydrophobicContact CB-CZ2 3.87Å; I111-W145 HydrophobicContact CG1-CD2 4.12Å; I111-W145 HydrophobicContact CG1-CE3 4.31Å; I111-W145 HydrophobicContact CG1-CH2 3.69Å; I111-W145 HydrophobicContact CG1-CZ2 3.51Å; I111-W145 HydrophobicContact CG1-CZ3 4.1Å; I111-W145 HydrophobicContact CG2-CG 4.44Å; V138-W145 HydrophobicContact CB-CE3 4.15Å; V138-W145 HydrophobicContact CG1-CB 4.28Å; V138-W145 HydrophobicContact CG1-CE3 3.84Å; V138-W145 HydrophobicContact CG2-CE3 3.91Å; V138-W145 HydrophobicContact CG2-CZ3 3.95Å; V138-W145 VanDerWaalsContact O-CB 3.24Å; V138-W145 WeakPolarHBondContact O-CB 3.2Å; A141-W145 HydrophobicContact CB-CD2 4.19Å; A141-W145 HydrophobicContact CB-CE3 4.05Å; A141-W145 HydrophobicContact CB-CG 4.39Å; S142-W145 PolarHBondContact O-N 3.39Å; S142-W145 VanDerWaalsContact O-N 3.17Å; S142-W145 PolarHBondContact OG-N 2.97Å; S142-W145 VanDerWaalsContact OG-N 3.12Å; W145-W147 PolarHBondContact O-N 3.21Å; W145-S148 VanDerWaalsContact O-CB 3.31Å; W145-S148 WeakPolarHBondContact O-CB 3Å; W145-S148 PolarHBondContact O-N 2.78Å; W145-S148 VanDerWaalsContact O-N 3.16Å; W145-V149 WeakPolarHBondContact O-CG2 3.47Å; W145-V149 PolarHBondContact O-N 3.18Å
146	Q	90.7	Very high	89.8	Confident	62 Å²	62	48.4 Å²	48.4	29%	0.29	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-45.1	171.2	-170.5	-175.1	15.5	0	0	112.4	E139 S142 S148 V149 A150	E139-Q146 HydrophobicContact CB-CB 4.46Å; E139-Q146 HydrophobicContact CB-CG 4.38Å; E139-Q146 HydrophobicContact CG-CG 4.38Å; S142-Q146 PolarHBondContact O-N 3.04Å; Q146-S148 VanDerWaalsContact C-N 3.3Å; Q146-S148 PolarHBondContact O-N 3.46Å; Q146-V149 PolarHBondContact O-N 2.62Å; Q146-A150 PolarHBondContact O-N 3.23Å
147	W	89.5	Confident	89.8	Confident	86 Å²	86	48.5 Å²	48.5	33%	0.326	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-36.4	176	178	-119.1	0	0	0	112.2	R143 G144 W145 A150 K151 Y320 V323 M324	R143-W147 VanDerWaalsContact O-CB 3.32Å; R143-W147 WeakPolarHBondContact O-CB 3.45Å; R143-W147 PolarHBondContact O-N 2.78Å; G144-W147 PolarHBondContact O-N 3.18Å; W145-W147 PolarHBondContact O-N 3.21Å; W147-A150 HydrophobicContact CE3-CB 4.33Å; W147-A150 PolarHBondContact O-N 2.78Å; W147-K151 HydrophobicContact CZ2-CD 4.48Å; W147-K151 WeakPolarHBondContact O-CB 3.32Å; W147-K151 PolarHBondContact O-N 2.96Å; W147-Y320 HydrophobicContact CD2-CE2 4.47Å; W147-Y320 AromaticContact CE3-CD2 3.8Å; W147-Y320 HydrophobicContact CE3-CD2 3.8Å; W147-Y320 AromaticContact CE3-CE2 3.61Å; W147-Y320 HydrophobicContact CE3-CE2 3.61Å; W147-Y320 AromaticContact CH2-CD2 3.78Å; W147-Y320 HydrophobicContact CH2-CD2 3.78Å; W147-Y320 HydrophobicContact CH2-CE2 4.44Å; W147-Y320 AromaticContact CZ3-CD2 3.31Å; W147-Y320 HydrophobicContact CZ3-CD2 3.31Å; W147-Y320 AromaticContact CZ3-CE2 3.61Å; W147-Y320 HydrophobicContact CZ3-CE2 3.61Å; W147-Y320 HydrophobicContact CZ3-CG 4.33Å; W147-V323 HydrophobicContact CH2-CB 4.33Å; W147-V323 HydrophobicContact CH2-CG1 4.17Å; W147-V323 HydrophobicContact CZ3-CB 4.22Å; W147-V323 HydrophobicContact CZ3-CG1 3.9Å; W147-M324 HydrophobicContact CE3-SD 4.2Å; W147-M324 HydrophobicContact CZ3-CG 4.43Å; W147-M324 HydrophobicContact CZ3-SD 4.38Å
148	S	89.3	Confident	89.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-47.1	172.9	-54.1	0	0	0	0	111.7	I111 Q115 G144 W145 Q146 A150 Y152	I111-S148 WeakPolarHBondContact CG2-OG 3.27Å; Q115-S148 PolarHBondContact NE2-OG 3.31Å; Q115-S148 PolarHBondContact OE1-OG 2.96Å; G144-S148 PolarHBondContact O-N 2.86Å; G144-S148 PolarHBondContact O-OG 3.45Å; W145-S148 VanDerWaalsContact O-CB 3.31Å; W145-S148 WeakPolarHBondContact O-CB 3Å; W145-S148 PolarHBondContact O-N 2.78Å; W145-S148 VanDerWaalsContact O-N 3.16Å; Q146-S148 VanDerWaalsContact C-N 3.3Å; Q146-S148 PolarHBondContact O-N 3.46Å; S148-A150 VanDerWaalsContact C-N 3.27Å; S148-A150 PolarHBondContact O-N 2.91Å; S148-Y152 WeakPolarHBondContact O-CB 3.28Å; S148-Y152 WeakPolarHBondContact O-CD2 3.2Å; S148-Y152 PolarHBondContact O-N 3.11Å
149	V	91.1	Very high	90	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-34.6	177	174.7	0	0	0	0	111.9	L135 V138 E139 W145 Q146 Q153 L154	L135-V149 HydrophobicContact CD1-CG1 3.89Å; L135-V149 HydrophobicContact CD1-CG2 3.8Å; L135-V149 HydrophobicContact CG-CG1 4.22Å; V138-V149 HydrophobicContact CG1-CG2 3.49Å; V138-V149 VanDerWaalsContact CG1-CG2 3.49Å; E139-V149 HydrophobicContact CG-CB 4.04Å; E139-V149 HydrophobicContact CG-CG1 3.91Å; E139-V149 HydrophobicContact CG-CG2 3.98Å; E139-V149 VanDerWaalsContact OE1-CG1 3.28Å; E139-V149 WeakPolarHBondContact OE1-CG1 3.46Å; W145-V149 WeakPolarHBondContact O-CG2 3.47Å; W145-V149 PolarHBondContact O-N 3.18Å; Q146-V149 PolarHBondContact O-N 2.62Å; V149-Q153 PolarHBondContact O-N 3.1Å; V149-L154 HydrophobicContact CB-CD1 4.45Å; V149-L154 HydrophobicContact CG1-CB 4.28Å; V149-L154 HydrophobicContact CG2-CD1 4.17Å; V149-L154 PolarHBondContact O-N 3.26Å
150	A	91.1	Very high	90.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-74.2	-53.1	175.8	0	0	0	0	0	112.8	Q146 W147 S148 Y152 Q153 V323 M324 H327	Q146-A150 PolarHBondContact O-N 3.23Å; W147-A150 HydrophobicContact CE3-CB 4.33Å; W147-A150 PolarHBondContact O-N 2.78Å; S148-A150 VanDerWaalsContact C-N 3.27Å; S148-A150 PolarHBondContact O-N 2.91Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 2.99Å; A150-Q153 PolarHBondContact O-N 3.44Å; A150-V323 HydrophobicContact CB-CG1 4.09Å; A150-M324 HydrophobicContact CB-SD 3.55Å; A150-M324 VanDerWaalsContact CB-SD 3.55Å; A150-H327 HydrophobicContact CB-CB 3.89Å
151	K	87.8	Confident	90.3	Very high	55 Å²	55	42.9 Å²	42.9	24%	0.239	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-40.4	-178.7	-177	166.8	-174.8	168.9	0	112.2	W147 Q153 D316	W147-K151 HydrophobicContact CZ2-CD 4.48Å; W147-K151 WeakPolarHBondContact O-CB 3.32Å; W147-K151 PolarHBondContact O-N 2.96Å; K151-Q153 VanDerWaalsContact C-N 3.3Å; K151-Q153 PolarHBondContact O-N 2.86Å; K151-D316 IonicContact NZ-OD1 3.73Å; K151-D316 PolarHBondContact NZ-OD1 3.01Å
152	Y	88.3	Confident	90.5	Very high	16 Å²	16	43.5 Å²	43.5	6%	0.063	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.6	177.2	-50.4	-40	0	0	0	114	Q115 P120 A123 E124 S148 A150 L154 R157	Q115-Y152 PolarHBondContact NE2-OH 3.12Å; Q115-Y152 VanDerWaalsContact NE2-OH 3.1Å; P120-Y152 WeakPolarHBondContact CA-OH 3.33Å; P120-Y152 HydrophobicContact CB-CE1 4.49Å; P120-Y152 WeakPolarHBondContact CB-OH 3.05Å; P120-Y152 PolarHBondContact O-OH 2.88Å; A123-Y152 HydrophobicContact CB-CE2 4.33Å; E124-Y152 HydrophobicContact CB-CD1 4.2Å; E124-Y152 HydrophobicContact CB-CD2 3.88Å; E124-Y152 HydrophobicContact CB-CE1 4.26Å; E124-Y152 HydrophobicContact CB-CE2 3.9Å; E124-Y152 HydrophobicContact CB-CG 4.04Å; E124-Y152 HydrophobicContact CG-CD1 4.25Å; E124-Y152 HydrophobicContact CG-CD2 4.21Å; E124-Y152 HydrophobicContact CG-CG 3.98Å; S148-Y152 WeakPolarHBondContact O-CB 3.28Å; S148-Y152 WeakPolarHBondContact O-CD2 3.2Å; S148-Y152 PolarHBondContact O-N 3.11Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 2.99Å; Y152-L154 VanDerWaalsContact C-N 3.29Å; Y152-L154 PolarHBondContact O-N 3.37Å; Y152-R157 WeakPolarHBondContact O-CD 3.5Å
153	Q	90.7	Very high	90.8	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.07	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	39.4	178.7	-55.8	-173.6	-30.6	0	0	115.2	V149 A150 K151 W155 R156 R157 S185	V149-Q153 PolarHBondContact O-N 3.1Å; A150-Q153 PolarHBondContact O-N 3.44Å; K151-Q153 VanDerWaalsContact C-N 3.3Å; K151-Q153 PolarHBondContact O-N 2.86Å; Q153-W155 VanDerWaalsContact C-N 3.25Å; Q153-W155 PolarHBondContact O-N 3.4Å; Q153-W155 VanDerWaalsContact O-N 3.11Å; Q153-R156 HydrophobicContact CB-CB 4.26Å; Q153-R156 WeakPolarHBondContact O-CB 3.24Å; Q153-R156 PolarHBondContact O-N 3.05Å; Q153-R157 PolarHBondContact O-N 2.97Å; Q153-R157 VanDerWaalsContact O-N 3.1Å; Q153-S185 VanDerWaalsContact CD-O 3.29Å; Q153-S185 PolarHBondContact NE2-O 3.35Å; Q153-S185 PolarHBondContact OE1-O 3.06Å
154	L	92.3	Very high	91.1	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-28.7	-163.7	-58.2	179	0	0	0	113.5	L127 V128 L135 V149 Y152 R157 L158	L127-L154 HydrophobicContact CB-CD1 3.37Å; L127-L154 HydrophobicContact CD1-CD1 4.15Å; L127-L154 HydrophobicContact CG-CD1 4.38Å; V128-L154 HydrophobicContact CG2-CD2 3.57Å; L135-L154 HydrophobicContact CD1-CB 3.89Å; L135-L154 HydrophobicContact CD1-CD1 3.84Å; L135-L154 HydrophobicContact CD2-CB 4.07Å; V149-L154 HydrophobicContact CB-CD1 4.45Å; V149-L154 HydrophobicContact CG1-CB 4.28Å; V149-L154 HydrophobicContact CG2-CD1 4.17Å; V149-L154 PolarHBondContact O-N 3.26Å; Y152-L154 VanDerWaalsContact C-N 3.29Å; Y152-L154 PolarHBondContact O-N 3.37Å; L154-R157 PolarHBondContact O-N 3.25Å; L154-L158 WeakPolarHBondContact O-CB 3.24Å; L154-L158 PolarHBondContact O-N 2.69Å
155	W	93.6	Very high	91.5	Very high	14 Å²	14	39.2 Å²	39.2	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-40.9	170.1	-74	106.5	0	0	0	113.3	A132 L135 L136 E139 Q153 L158 L159 K331 Y334	A132-W155 HydrophobicContact CB-CH2 4.13Å; A132-W155 HydrophobicContact CB-CZ3 3.99Å; L135-W155 HydrophobicContact CB-CZ2 4.42Å; L135-W155 HydrophobicContact CD2-CD2 3.79Å; L135-W155 HydrophobicContact CD2-CE3 4.15Å; L135-W155 HydrophobicContact CD2-CG 4.15Å; L135-W155 HydrophobicContact CD2-CH2 4.38Å; L135-W155 HydrophobicContact CD2-CZ2 4.05Å; L135-W155 HydrophobicContact CD2-CZ3 4.43Å; L135-W155 HydrophobicContact CG-CZ2 4.18Å; L136-W155 HydrophobicContact CB-CZ2 4.43Å; E139-W155 PolarHBondContact OE1-NE1 3.06Å; Q153-W155 VanDerWaalsContact C-N 3.25Å; Q153-W155 PolarHBondContact O-N 3.4Å; Q153-W155 VanDerWaalsContact O-N 3.11Å; W155-L158 HydrophobicContact CE3-CD2 4.2Å; W155-L158 HydrophobicContact CZ3-CD2 4.1Å; W155-L159 WeakPolarHBondContact O-CB 3.11Å; W155-L159 WeakPolarHBondContact O-CG 3.37Å; W155-L159 PolarHBondContact O-N 3.18Å; W155-K331 HydrophobicContact CD2-CB 4.2Å; W155-K331 HydrophobicContact CD2-CG 4.33Å; W155-K331 HydrophobicContact CG-CB 4.01Å; W155-K331 HydrophobicContact CZ2-CG 4.22Å; W155-Y334 HydrophobicContact CE3-CD2 4.2Å; W155-Y334 HydrophobicContact CE3-CG 4Å; W155-Y334 AromaticContact CZ3-CD1 3.94Å; W155-Y334 HydrophobicContact CZ3-CD1 3.94Å; W155-Y334 HydrophobicContact CZ3-CD2 4.15Å; W155-Y334 AromaticContact CZ3-CG 3.75Å; W155-Y334 HydrophobicContact CZ3-CG 3.75Å
156	R	93.3	Very high	91.6	Very high	28 Å²	28	39 Å²	39	11%	0.106	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-41.4	175.5	-166.4	-173.6	62.2	84.2	-0.7	111	Q153 L159 A160 I182 H184 Y330	Q153-R156 HydrophobicContact CB-CB 4.26Å; Q153-R156 WeakPolarHBondContact O-CB 3.24Å; Q153-R156 PolarHBondContact O-N 3.05Å; R156-L159 WeakPolarHBondContact O-CB 3.45Å; R156-L159 PolarHBondContact O-N 2.98Å; R156-A160 WeakPolarHBondContact O-CB 3.28Å; R156-A160 PolarHBondContact O-N 3.25Å; R156-I182 WeakPolarHBondContact CD-O 3.43Å; R156-I182 PolarHBondContact NH1-O 3.47Å; R156-H184 VanDerWaalsContact CD-O 3.27Å; R156-H184 WeakPolarHBondContact CD-O 3.2Å; R156-Y330 HydrophobicContact CB-CD1 4.11Å; R156-Y330 HydrophobicContact CB-CD2 3.66Å; R156-Y330 HydrophobicContact CB-CE1 4.25Å; R156-Y330 HydrophobicContact CB-CE2 3.8Å; R156-Y330 HydrophobicContact CB-CG 3.84Å; R156-Y330 HydrophobicContact CG-CD1 4.05Å; R156-Y330 HydrophobicContact CG-CD2 4.19Å; R156-Y330 HydrophobicContact CG-CE1 3.77Å; R156-Y330 HydrophobicContact CG-CE2 3.91Å; R156-Y330 HydrophobicContact CG-CG 4.28Å
157	R	91.6	Very high	91.7	Very high	77 Å²	77	40.6 Å²	40.6	29%	0.291	22%	0.222	S	C	.	.	H	α-helix	trans	-69.9	-35.8	-179.8	-63.6	173.2	83.1	-176.9	8.5	111.9	E124 Y152 Q153 L154 C161	E124-R157 VanDerWaalsContact CD-NH1 3.29Å; E124-R157 IonicContact OE1-CZ 3.83Å; E124-R157 IonicContact OE1-NH1 3.73Å; E124-R157 PolarHBondContact OE1-NH1 3.43Å; E124-R157 IonicContact OE1-NH2 2.75Å; E124-R157 PolarHBondContact OE1-NH2 3.47Å; Y152-R157 WeakPolarHBondContact O-CD 3.5Å; Q153-R157 PolarHBondContact O-N 2.97Å; Q153-R157 VanDerWaalsContact O-N 3.1Å; L154-R157 PolarHBondContact O-N 3.25Å; R157-C161 WeakPolarHBondContact O-CB 3.4Å; R157-C161 PolarHBondContact O-N 2.95Å
158	L	92.8	Very high	91.9	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-43.1	170.2	-178.3	62	0	0	0	111.4	A132 L135 L154 W155 C161 R162 Y334	A132-L158 HydrophobicContact CB-CD2 3.97Å; L135-L158 HydrophobicContact CD2-CD2 4.11Å; L154-L158 WeakPolarHBondContact O-CB 3.24Å; L154-L158 PolarHBondContact O-N 2.69Å; W155-L158 HydrophobicContact CE3-CD2 4.2Å; W155-L158 HydrophobicContact CZ3-CD2 4.1Å; L158-C161 PolarHBondContact O-N 2.78Å; L158-R162 WeakPolarHBondContact O-CG 3.41Å; L158-R162 PolarHBondContact O-N 2.85Å; L158-Y334 HydrophobicContact CD2-CD2 4.32Å; L158-Y334 HydrophobicContact CD2-CE2 3.88Å; L158-Y334 HydrophobicContact CG-CD2 4.48Å; L158-Y334 HydrophobicContact CG-CE2 3.95Å
159	L	93.1	Very high	92.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-50.4	172.9	-76.6	171.2	0	0	0	112.1	W155 R156 C161 R162 V163 W169 I182 Y330 L333 Y334 I337	W155-L159 WeakPolarHBondContact O-CB 3.11Å; W155-L159 WeakPolarHBondContact O-CG 3.37Å; W155-L159 PolarHBondContact O-N 3.18Å; R156-L159 WeakPolarHBondContact O-CB 3.45Å; R156-L159 PolarHBondContact O-N 2.98Å; L159-C161 VanDerWaalsContact C-N 3.32Å; L159-C161 PolarHBondContact O-N 2.89Å; L159-R162 PolarHBondContact O-N 2.92Å; L159-V163 WeakPolarHBondContact O-CG2 3.35Å; L159-V163 PolarHBondContact O-N 3.49Å; L159-W169 HydrophobicContact CD2-CE3 4.48Å; L159-W169 HydrophobicContact CD2-CZ3 3.87Å; L159-I182 HydrophobicContact CB-CD1 4.3Å; L159-I182 HydrophobicContact CB-CG1 4.36Å; L159-I182 HydrophobicContact CB-CG2 4.13Å; L159-I182 HydrophobicContact CD1-CG1 4.48Å; L159-Y330 HydrophobicContact CD1-CD1 3.95Å; L159-Y330 HydrophobicContact CD1-CG 4.42Å; L159-L333 HydrophobicContact CD1-CB 4.42Å; L159-L333 HydrophobicContact CD1-CD2 4.1Å; L159-L333 HydrophobicContact CD1-CG 4.36Å; L159-Y334 HydrophobicContact CD2-CD2 3.67Å; L159-Y334 HydrophobicContact CD2-CG 4.33Å; L159-Y334 HydrophobicContact CG-CD2 4.16Å; L159-I337 HydrophobicContact CD2-CD1 3.47Å; L159-I337 VanDerWaalsContact CD2-CD1 3.47Å
160	A	92.8	Very high	92.2	Very high	34 Å²	34	41.2 Å²	41.2	28%	0.281	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-41.7	177.4	0	0	0	0	0	111.7	R156 R162 V163 A164 I182	R156-A160 WeakPolarHBondContact O-CB 3.28Å; R156-A160 PolarHBondContact O-N 3.25Å; A160-R162 PolarHBondContact O-N 3.1Å; A160-V163 PolarHBondContact O-N 3.12Å; A160-A164 VanDerWaalsContact O-CB 3.28Å; A160-A164 WeakPolarHBondContact O-CB 3.29Å; A160-A164 PolarHBondContact O-N 2.86Å; A160-I182 HydrophobicContact CB-CG2 3.78Å
161	C	92.4	Very high	92	Very high	68 Å²	68	41.7 Å²	41.7	46%	0.459	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-44.1	174.2	-177.3	0	0	0	0	111.9	R157 L158 L159 A164 T165	R157-C161 WeakPolarHBondContact O-CB 3.4Å; R157-C161 PolarHBondContact O-N 2.95Å; L158-C161 PolarHBondContact O-N 2.78Å; L159-C161 VanDerWaalsContact C-N 3.32Å; L159-C161 PolarHBondContact O-N 2.89Å; C161-A164 PolarHBondContact O-N 3.29Å; C161-T165 WeakPolarHBondContact O-CB 3.32Å; C161-T165 WeakPolarHBondContact O-CG2 3.34Å; C161-T165 PolarHBondContact O-N 2.97Å; C161-T165 VanDerWaalsContact O-N 3.11Å; C161-T165 PolarHBondContact O-OG1 3.12Å
162	R	93.4	Very high	92.2	Very high	77 Å²	77	39 Å²	39	29%	0.291	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-43.1	175.6	-66.1	-56.5	-178.4	89.2	-2.5	112.7	L158 L159 A160 A164 T165 D166 W169 Y334	L158-R162 WeakPolarHBondContact O-CG 3.41Å; L158-R162 PolarHBondContact O-N 2.85Å; L159-R162 PolarHBondContact O-N 2.92Å; A160-R162 PolarHBondContact O-N 3.1Å; R162-A164 VanDerWaalsContact C-N 3.27Å; R162-A164 PolarHBondContact O-N 2.87Å; R162-T165 PolarHBondContact O-N 3.23Å; R162-T165 PolarHBondContact O-OG1 2.76Å; R162-D166 PolarHBondContact O-N 3.3Å; R162-W169 HydrophobicContact CB-CB 4.42Å; R162-W169 HydrophobicContact CB-CD2 3.56Å; R162-W169 HydrophobicContact CB-CE3 3.6Å; R162-W169 HydrophobicContact CB-CG 3.95Å; R162-W169 HydrophobicContact CB-CZ2 4.45Å; R162-W169 HydrophobicContact CB-CZ3 4.12Å; R162-W169 HydrophobicContact CG-CD2 4.3Å; R162-W169 HydrophobicContact CG-CE3 4.32Å; R162-W169 HydrophobicContact CG-CH2 4.37Å; R162-W169 HydrophobicContact CG-CZ2 4.3Å; R162-W169 HydrophobicContact CG-CZ3 4.38Å; R162-Y334 HydrophobicContact CG-CE2 4.5Å; R162-Y334 PolarHBondContact NH1-OH 3.07Å
163	V	93.1	Very high	92.3	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-36.3	174.6	166.9	0	0	0	0	111.8	L159 A160 W169 H170 C173 I182	L159-V163 WeakPolarHBondContact O-CG2 3.35Å; L159-V163 PolarHBondContact O-N 3.49Å; A160-V163 PolarHBondContact O-N 3.12Å; V163-W169 HydrophobicContact CG2-CB 4.29Å; V163-H170 HydrophobicContact CG1-CB 4.47Å; V163-C173 HydrophobicContact CG2-CB 4.22Å; V163-I182 HydrophobicContact CG2-CD1 4.14Å
164	A	92.4	Very high	92.1	Very high	86 Å²	86	41.1 Å²	41.1	71%	0.711	23%	0.233	S	C	*	.	H	α-helix	trans	-79.3	-17.4	178.1	0	0	0	0	0	114.7	A160 C161 R162	A160-A164 VanDerWaalsContact O-CB 3.28Å; A160-A164 WeakPolarHBondContact O-CB 3.29Å; A160-A164 PolarHBondContact O-N 2.86Å; C161-A164 PolarHBondContact O-N 3.29Å; R162-A164 VanDerWaalsContact C-N 3.27Å; R162-A164 PolarHBondContact O-N 2.87Å
165	T	92.8	Very high	91.8	Very high	100 Å²	100	44.6 Å²	44.6	61%	0.613	25%	0.246	S	C	*	.	H	α-helix	trans	-113.4	-27.5	-173.6	52	0	0	0	0	114.8	C161 R162	C161-T165 WeakPolarHBondContact O-CB 3.32Å; C161-T165 WeakPolarHBondContact O-CG2 3.34Å; C161-T165 PolarHBondContact O-N 2.97Å; C161-T165 VanDerWaalsContact O-N 3.11Å; C161-T165 PolarHBondContact O-OG1 3.12Å; R162-T165 PolarHBondContact O-N 3.23Å; R162-T165 PolarHBondContact O-OG1 2.76Å
166	D	92.7	Very high	91.4	Very high	57 Å²	57	46.8 Å²	46.8	31%	0.305	25%	0.254	S	S	.	.			trans	-117.4	112.7	-178.2	-173	-20.7	0	0	0	110.5	R162 V168 W169 H170	R162-D166 PolarHBondContact O-N 3.3Å; D166-V168 PolarHBondContact O-N 2.94Å; D166-V168 VanDerWaalsContact O-N 3.09Å; D166-V168 VanDerWaalsContact OD1-CB 3.28Å; D166-V168 WeakPolarHBondContact OD1-CB 3.49Å; D166-V168 VanDerWaalsContact OD1-CG2 3.31Å; D166-V168 WeakPolarHBondContact OD1-CG2 3.32Å; D166-V168 PolarHBondContact OD1-N 3.37Å; D166-W169 HydrophobicContact CB-CB 4.34Å; D166-W169 HydrophobicContact CB-CG 4.2Å; D166-W169 VanDerWaalsContact CG-CD1 3.43Å; D166-W169 PolarHBondContact O-N 3.06Å; D166-W169 VanDerWaalsContact OD2-CD1 3.23Å; D166-H170 PolarHBondContact O-N 3.45Å; D166-H170 VanDerWaalsContact O-N 3.09Å
167	P	91.6	Very high	91	Very high	95 Å²	95	46.6 Å²	46.6	62%	0.617	26%	0.261	S	S	*	.	H	α-helix	trans	-55.7	-25.3	177.4	-27.3	35.9	0	0	0	114.5	G171	P167-G171 PolarHBondContact O-N 2.97Å
168	V	93.2	Very high	90.8	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-40	174.8	-170.8	0	0	0	0	110.5	D166 L172 I341 D686 F687	D166-V168 PolarHBondContact O-N 2.94Å; D166-V168 VanDerWaalsContact O-N 3.09Å; D166-V168 VanDerWaalsContact OD1-CB 3.28Å; D166-V168 WeakPolarHBondContact OD1-CB 3.49Å; D166-V168 VanDerWaalsContact OD1-CG2 3.31Å; D166-V168 WeakPolarHBondContact OD1-CG2 3.32Å; D166-V168 PolarHBondContact OD1-N 3.37Å; V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.26Å; V168-L172 VanDerWaalsContact O-N 3.07Å; V168-I341 HydrophobicContact CG1-CD1 4.24Å; V168-I341 HydrophobicContact CG1-CG1 4.07Å; V168-I341 HydrophobicContact CG1-CG2 4.07Å; V168-D686 HydrophobicContact CG2-CB 4.15Å; V168-F687 HydrophobicContact CG1-CE1 4.44Å; V168-F687 HydrophobicContact CG1-CZ 4.31Å; V168-F687 WeakPolarHBondContact O-CZ 3.43Å
169	W	94.5	Very high	90.5	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.027	25%	0.249	C	C	.	.	H	α-helix	trans	-69.9	-44.3	176.6	-72	65.4	0	0	0	110.7	L159 R162 V163 D166 C173 Y334 I337 I338 I341	L159-W169 HydrophobicContact CD2-CE3 4.48Å; L159-W169 HydrophobicContact CD2-CZ3 3.87Å; R162-W169 HydrophobicContact CB-CB 4.42Å; R162-W169 HydrophobicContact CB-CD2 3.56Å; R162-W169 HydrophobicContact CB-CE3 3.6Å; R162-W169 HydrophobicContact CB-CG 3.95Å; R162-W169 HydrophobicContact CB-CZ2 4.45Å; R162-W169 HydrophobicContact CB-CZ3 4.12Å; R162-W169 HydrophobicContact CG-CD2 4.3Å; R162-W169 HydrophobicContact CG-CE3 4.32Å; R162-W169 HydrophobicContact CG-CH2 4.37Å; R162-W169 HydrophobicContact CG-CZ2 4.3Å; R162-W169 HydrophobicContact CG-CZ3 4.38Å; V163-W169 HydrophobicContact CG2-CB 4.29Å; D166-W169 HydrophobicContact CB-CB 4.34Å; D166-W169 HydrophobicContact CB-CG 4.2Å; D166-W169 VanDerWaalsContact CG-CD1 3.43Å; D166-W169 PolarHBondContact O-N 3.06Å; D166-W169 VanDerWaalsContact OD2-CD1 3.23Å; W169-C173 VanDerWaalsContact O-CB 3.22Å; W169-C173 WeakPolarHBondContact O-CB 3.24Å; W169-C173 PolarHBondContact O-N 2.69Å; W169-C173 PolarHBondContact O-SG 3.4Å; W169-Y334 AromaticContact CH2-CD2 3.97Å; W169-Y334 HydrophobicContact CH2-CD2 3.97Å; W169-Y334 HydrophobicContact CH2-CE1 4.22Å; W169-Y334 AromaticContact CH2-CE2 3.5Å; W169-Y334 HydrophobicContact CH2-CE2 3.5Å; W169-Y334 VanDerWaalsContact CH2-CE2 3.5Å; W169-Y334 HydrophobicContact CH2-CG 4.5Å; W169-Y334 AromaticContact CH2-CZ 3.63Å; W169-Y334 HydrophobicContact CZ2-CE2 4.46Å; W169-Y334 HydrophobicContact CZ3-CD2 4.06Å; W169-Y334 AromaticContact CZ3-CE2 3.91Å; W169-Y334 HydrophobicContact CZ3-CE2 3.91Å; W169-I337 HydrophobicContact CD2-CG2 3.99Å; W169-I337 HydrophobicContact CE3-CB 4.38Å; W169-I337 HydrophobicContact CE3-CD1 4.37Å; W169-I337 HydrophobicContact CE3-CG2 3.5Å; W169-I337 HydrophobicContact CH2-CG2 4.1Å; W169-I337 HydrophobicContact CZ3-CB 4Å; W169-I337 HydrophobicContact CZ3-CD1 4.15Å; W169-I337 HydrophobicContact CZ3-CG2 3.54Å; W169-I338 HydrophobicContact CH2-CD1 3.73Å; W169-I338 HydrophobicContact CH2-CG1 4.09Å; W169-I338 HydrophobicContact CZ2-CD1 3.49Å; W169-I338 VanDerWaalsContact CZ2-CD1 3.49Å; W169-I338 HydrophobicContact CZ2-CG1 4.33Å; W169-I341 HydrophobicContact CD2-CD1 4.06Å; W169-I341 HydrophobicContact CG-CD1 4.1Å; W169-I341 HydrophobicContact CZ2-CD1 4.29Å
170	H	92.4	Very high	90.1	Very high	79 Å²	79	49.6 Å²	49.6	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-57.7	-59.3	174.9	-173.9	-69.2	0	0	0	111.6	V163 D166 L172 C173 E174	V163-H170 HydrophobicContact CG1-CB 4.47Å; D166-H170 PolarHBondContact O-N 3.45Å; D166-H170 VanDerWaalsContact O-N 3.09Å; H170-L172 VanDerWaalsContact C-N 3.27Å; H170-L172 PolarHBondContact O-N 3.06Å; H170-C173 PolarHBondContact O-N 3Å; H170-E174 IonicContact CE1-OE2 2.81Å; H170-E174 IonicContact ND1-OE2 3.15Å; H170-E174 WeakPolarHBondContact O-CB 3.34Å; H170-E174 PolarHBondContact O-N 3.29Å
171	G	88.4	Confident	89.7	Confident	11 Å²	11	48 Å²	48	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-31.1	-174.2	0	0	0	0	0	113.4	P167 R175	P167-G171 PolarHBondContact O-N 2.97Å; G171-R175 VanDerWaalsContact O-CB 3.28Å; G171-R175 WeakPolarHBondContact O-CB 3.5Å; G171-R175 WeakPolarHBondContact O-CD 3.49Å; G171-R175 WeakPolarHBondContact O-CG 3.06Å; G171-R175 PolarHBondContact O-N 2.79Å
172	L	90.5	Very high	89.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-75.5	-44.5	174.8	-168	61.6	0	0	0	111.8	V168 H170 E174 R175 R176 W178 D340 I341 F687	V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.26Å; V168-L172 VanDerWaalsContact O-N 3.07Å; H170-L172 VanDerWaalsContact C-N 3.27Å; H170-L172 PolarHBondContact O-N 3.06Å; L172-E174 VanDerWaalsContact C-N 3.26Å; L172-E174 PolarHBondContact O-N 2.7Å; L172-R175 PolarHBondContact O-N 3.11Å; L172-R176 HydrophobicContact CD1-CG 4.14Å; L172-R176 HydrophobicContact CG-CG 4.3Å; L172-R176 VanDerWaalsContact O-CB 3.28Å; L172-R176 WeakPolarHBondContact O-CB 3.41Å; L172-R176 VanDerWaalsContact O-CG 3.26Å; L172-R176 WeakPolarHBondContact O-CG 3.25Å; L172-R176 PolarHBondContact O-N 3.47Å; L172-W178 HydrophobicContact CG-CZ3 4.33Å; L172-D340 HydrophobicContact CD2-CB 4.05Å; L172-I341 HydrophobicContact CD2-CG1 3.52Å; L172-F687 HydrophobicContact CB-CE1 3.86Å; L172-F687 HydrophobicContact CB-CZ 4.07Å; L172-F687 HydrophobicContact CD1-CE1 4.06Å; L172-F687 VanDerWaalsContact N-CZ 3.32Å
173	C	90.6	Very high	89	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-33	175.9	-65.7	0	0	0	0	111.6	V163 W169 H170 G177 W178 I179	V163-C173 HydrophobicContact CG2-CB 4.22Å; W169-C173 VanDerWaalsContact O-CB 3.22Å; W169-C173 WeakPolarHBondContact O-CB 3.24Å; W169-C173 PolarHBondContact O-N 2.69Å; W169-C173 PolarHBondContact O-SG 3.4Å; H170-C173 PolarHBondContact O-N 3Å; C173-G177 PolarHBondContact O-N 3.42Å; C173-W178 HydrophobicContact CB-CB 4.08Å; C173-W178 PolarHBondContact O-N 2.88Å; C173-I179 HydrophobicContact CB-CD1 4.43Å; C173-I179 HydrophobicContact CB-CG1 3.64Å; C173-I179 PolarHBondContact O-N 2.86Å
174	E	87.7	Confident	88.3	Confident	74 Å²	74	51.4 Å²	51.4	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-53.1	171.6	-171.5	174.5	-162.8	0	0	110.9	H170 L172 R176 G177 I179 K375	H170-E174 IonicContact CE1-OE2 2.81Å; H170-E174 IonicContact ND1-OE2 3.15Å; H170-E174 WeakPolarHBondContact O-CB 3.34Å; H170-E174 PolarHBondContact O-N 3.29Å; L172-E174 VanDerWaalsContact C-N 3.26Å; L172-E174 PolarHBondContact O-N 2.7Å; E174-R176 PolarHBondContact O-N 2.95Å; E174-G177 PolarHBondContact O-N 3.38Å; E174-G177 VanDerWaalsContact O-N 3.1Å; E174-I179 HydrophobicContact CB-CD1 3.73Å; E174-I179 HydrophobicContact CG-CD1 4.44Å; E174-K375 VanDerWaalsContact OE1-CD 3.22Å; E174-K375 WeakPolarHBondContact OE1-CD 3.09Å; E174-K375 WeakPolarHBondContact OE1-CE 3.5Å; E174-K375 IonicContact OE1-NZ 3.26Å; E174-K375 PolarHBondContact OE1-NZ 2.7Å
175	R	85.1	Confident	87.6	Confident	79 Å²	79	50.2 Å²	50.2	30%	0.298	26%	0.262	S	S	.	.	H	α-helix	trans	-58.9	-28.6	178.4	-78.2	171	171	-105.6	1.9	113.8	G171 L172 Q688 D702	G171-R175 VanDerWaalsContact O-CB 3.28Å; G171-R175 WeakPolarHBondContact O-CB 3.5Å; G171-R175 WeakPolarHBondContact O-CD 3.49Å; G171-R175 WeakPolarHBondContact O-CG 3.06Å; G171-R175 PolarHBondContact O-N 2.79Å; L172-R175 PolarHBondContact O-N 3.11Å; R175-Q688 VanDerWaalsContact NH2-CD 3.31Å; R175-D702 IonicContact CZ-OD1 2.95Å; R175-D702 IonicContact NH1-OD1 2.63Å; R175-D702 PolarHBondContact NH1-OD1 3.18Å; R175-D702 IonicContact NH1-OD2 3.88Å; R175-D702 PolarHBondContact NH1-OD2 2.8Å
176	R	85.5	Confident	87	Confident	59 Å²	59	47.1 Å²	47.1	22%	0.223	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-3.3	179.5	-65	-71.8	-167.4	-168	0.8	114	L172 E174 W178 R197 D340	L172-R176 HydrophobicContact CD1-CG 4.14Å; L172-R176 HydrophobicContact CG-CG 4.3Å; L172-R176 VanDerWaalsContact O-CB 3.28Å; L172-R176 WeakPolarHBondContact O-CB 3.41Å; L172-R176 VanDerWaalsContact O-CG 3.26Å; L172-R176 WeakPolarHBondContact O-CG 3.25Å; L172-R176 PolarHBondContact O-N 3.47Å; E174-R176 PolarHBondContact O-N 2.95Å; R176-W178 HydrophobicContact CB-CD2 3.48Å; R176-W178 VanDerWaalsContact CB-CD2 3.48Å; R176-W178 HydrophobicContact CB-CE3 3.64Å; R176-W178 HydrophobicContact CB-CG 4.06Å; R176-W178 HydrophobicContact CB-CH2 3.92Å; R176-W178 HydrophobicContact CB-CZ2 3.78Å; R176-W178 HydrophobicContact CB-CZ3 3.84Å; R176-W178 HydrophobicContact CG-CD2 4.29Å; R176-W178 HydrophobicContact CG-CE3 4.05Å; R176-W178 HydrophobicContact CG-CH2 3.65Å; R176-W178 HydrophobicContact CG-CZ2 3.9Å; R176-W178 HydrophobicContact CG-CZ3 3.72Å; R176-R197 PolarHBondContact O-NH1 3.5Å; R176-R197 PolarHBondContact O-NH2 3.37Å; R176-D340 IonicContact CZ-OD1 3.32Å; R176-D340 IonicContact CZ-OD2 3.91Å; R176-D340 IonicContact NE-OD2 2.66Å; R176-D340 PolarHBondContact NE-OD2 2.88Å; R176-D340 IonicContact NH2-OD1 2.89Å; R176-D340 PolarHBondContact NH2-OD1 2.89Å; R176-D340 IonicContact NH2-OD2 2.82Å; R176-D340 PolarHBondContact NH2-OD2 3Å
177	G	84.3	Confident	86.4	Confident	25 Å²	25	44.5 Å²	44.5	26%	0.258	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	38.9	-177.5	0	0	0	0	0	113.6	C173 E174 F181 R197	C173-G177 PolarHBondContact O-N 3.42Å; E174-G177 PolarHBondContact O-N 3.38Å; E174-G177 VanDerWaalsContact O-N 3.1Å; G177-F181 WeakPolarHBondContact O-CE2 3.48Å; G177-R197 PolarHBondContact O-NH1 3.22Å
178	W	86.9	Confident	85.9	Confident	11 Å²	11	42.3 Å²	42.3	4%	0.042	22%	0.218	C	C	.	.			trans	-98.6	-18.6	178	-62.9	-31.8	0	0	0	113.9	L172 C173 R176 E180 F181 I182 L333 I337 D340	L172-W178 HydrophobicContact CG-CZ3 4.33Å; C173-W178 HydrophobicContact CB-CB 4.08Å; C173-W178 PolarHBondContact O-N 2.88Å; R176-W178 HydrophobicContact CB-CD2 3.48Å; R176-W178 VanDerWaalsContact CB-CD2 3.48Å; R176-W178 HydrophobicContact CB-CE3 3.64Å; R176-W178 HydrophobicContact CB-CG 4.06Å; R176-W178 HydrophobicContact CB-CH2 3.92Å; R176-W178 HydrophobicContact CB-CZ2 3.78Å; R176-W178 HydrophobicContact CB-CZ3 3.84Å; R176-W178 HydrophobicContact CG-CD2 4.29Å; R176-W178 HydrophobicContact CG-CE3 4.05Å; R176-W178 HydrophobicContact CG-CH2 3.65Å; R176-W178 HydrophobicContact CG-CZ2 3.9Å; R176-W178 HydrophobicContact CG-CZ3 3.72Å; W178-E180 VanDerWaalsContact C-N 3.31Å; W178-E180 PolarHBondContact O-N 2.89Å; W178-F181 PolarHBondContact O-N 3.16Å; W178-I182 HydrophobicContact CB-CD1 4.41Å; W178-I182 WeakPolarHBondContact O-CG1 3.44Å; W178-I182 PolarHBondContact O-N 3.23Å; W178-L333 HydrophobicContact CD2-CD1 4.03Å; W178-L333 HydrophobicContact CE3-CD1 4.49Å; W178-L333 HydrophobicContact CG-CD1 4.23Å; W178-I337 HydrophobicContact CE3-CD1 4.27Å; W178-I337 HydrophobicContact CE3-CG1 3.63Å; W178-I337 HydrophobicContact CH2-CG1 4.33Å; W178-I337 HydrophobicContact CZ3-CB 4.37Å; W178-I337 HydrophobicContact CZ3-CG1 3.51Å; W178-D340 HydrophobicContact CH2-CB 4.5Å
179	I	87.2	Confident	85.3	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-44.4	-179.6	-68.7	-178.9	0	0	0	111.3	C173 E174 F181 I182 E183	C173-I179 HydrophobicContact CB-CD1 4.43Å; C173-I179 HydrophobicContact CB-CG1 3.64Å; C173-I179 PolarHBondContact O-N 2.86Å; E174-I179 HydrophobicContact CB-CD1 3.73Å; E174-I179 HydrophobicContact CG-CD1 4.44Å; I179-F181 PolarHBondContact O-N 3.23Å; I179-F181 VanDerWaalsContact O-N 3.16Å; I179-I182 PolarHBondContact O-N 3.37Å; I179-E183 HydrophobicContact CG2-CG 3.82Å; I179-E183 WeakPolarHBondContact CG2-OE1 3.16Å; I179-E183 PolarHBondContact O-N 2.99Å
180	E	84.5	Confident	84.8	Confident	128 Å²	128	48.3 Å²	48.3	60%	0.598	24%	0.241	S	C	*	.	H	α-helix	trans	-52.1	-40.3	179.6	-61.9	178.2	-170.5	0	0	112.5	W178 H184	W178-E180 VanDerWaalsContact C-N 3.31Å; W178-E180 PolarHBondContact O-N 2.89Å; E180-H184 PolarHBondContact O-CD2 3.1Å; E180-H184 VanDerWaalsContact O-CD2 3.23Å
181	F	85.5	Confident	84.1	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-79.1	-21.6	177.9	-44.2	-62.6	0	0	0	113.7	G177 W178 I179 L190 L193 L194 F329 Y330 F717	G177-F181 WeakPolarHBondContact O-CE2 3.48Å; W178-F181 PolarHBondContact O-N 3.16Å; I179-F181 PolarHBondContact O-N 3.23Å; I179-F181 VanDerWaalsContact O-N 3.16Å; F181-L190 HydrophobicContact CB-CD1 4.12Å; F181-L190 HydrophobicContact CD1-CD1 4.15Å; F181-L190 HydrophobicContact CG-CD1 4.42Å; F181-L193 HydrophobicContact CD1-CB 3.88Å; F181-L193 HydrophobicContact CE1-CB 3.81Å; F181-L194 HydrophobicContact CD1-CD2 4.35Å; F181-L194 HydrophobicContact CE1-CD2 4.31Å; F181-F329 HydrophobicContact CB-CE1 4.08Å; F181-F329 HydrophobicContact CB-CZ 4.34Å; F181-F329 HydrophobicContact CD2-CZ 4.36Å; F181-F329 HydrophobicContact CG-CZ 4.37Å; F181-Y330 WeakPolarHBondContact O-CE1 3.33Å; F181-Y330 PolarHBondContact O-OH 3.36Å; F181-F717 HydrophobicContact CD2-CE2 4.21Å; F181-F717 AromaticContact CE1-CZ 3.96Å; F181-F717 HydrophobicContact CE1-CZ 3.96Å; F181-F717 AromaticContact CE2-CE2 3.53Å; F181-F717 HydrophobicContact CE2-CE2 3.53Å; F181-F717 AromaticContact CE2-CZ 3.64Å; F181-F717 HydrophobicContact CE2-CZ 3.64Å; F181-F717 HydrophobicContact CZ-CE1 4.38Å; F181-F717 AromaticContact CZ-CE2 3.78Å; F181-F717 HydrophobicContact CZ-CE2 3.78Å; F181-F717 AromaticContact CZ-CZ 3.34Å; F181-F717 HydrophobicContact CZ-CZ 3.34Å
182	I	86.3	Confident	83.7	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-86.6	-37.6	-176.4	-66.6	167.2	0	0	0	110.8	R156 L159 A160 V163 W178 I179 L333	R156-I182 WeakPolarHBondContact CD-O 3.43Å; R156-I182 PolarHBondContact NH1-O 3.47Å; L159-I182 HydrophobicContact CB-CD1 4.3Å; L159-I182 HydrophobicContact CB-CG1 4.36Å; L159-I182 HydrophobicContact CB-CG2 4.13Å; L159-I182 HydrophobicContact CD1-CG1 4.48Å; A160-I182 HydrophobicContact CB-CG2 3.78Å; V163-I182 HydrophobicContact CG2-CD1 4.14Å; W178-I182 HydrophobicContact CB-CD1 4.41Å; W178-I182 WeakPolarHBondContact O-CG1 3.44Å; W178-I182 PolarHBondContact O-N 3.23Å; I179-I182 PolarHBondContact O-N 3.37Å; I182-L333 HydrophobicContact CD1-CD2 4.5Å; I182-L333 HydrophobicContact CG1-CD2 4.47Å
183	E	83.4	Confident	83.1	Confident	136 Å²	136	50.2 Å²	50.2	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-71.6	-40	179.9	-67.9	-175.7	155.2	0	0	112.3	I179 S185	I179-E183 HydrophobicContact CG2-CG 3.82Å; I179-E183 WeakPolarHBondContact CG2-OE1 3.16Å; I179-E183 PolarHBondContact O-N 2.99Å; E183-S185 PolarHBondContact O-N 3.03Å
184	H	78.9	Confident	82.5	Confident	92 Å²	92	50.4 Å²	50.4	43%	0.426	26%	0.262	S	S	.	.			trans	-61.1	120.9	175.4	-85.8	-64.1	0	0	0	112	R156 E180 L193	R156-H184 VanDerWaalsContact CD-O 3.27Å; R156-H184 WeakPolarHBondContact CD-O 3.2Å; E180-H184 PolarHBondContact O-CD2 3.1Å; E180-H184 VanDerWaalsContact O-CD2 3.23Å; H184-L193 HydrophobicContact CB-CD1 4.13Å; H184-L193 WeakPolarHBondContact CD2-CD1 3.21Å
185	S	77	Confident	81.8	Confident	61 Å²	61	51.8 Å²	51.8	43%	0.427	27%	0.268	S	S	.	.			trans	-81.8	-44	-177	49.9	0	0	0	0	113.9	Q153 E183	Q153-S185 VanDerWaalsContact CD-O 3.29Å; Q153-S185 PolarHBondContact NE2-O 3.35Å; Q153-S185 PolarHBondContact OE1-O 3.06Å; E183-S185 PolarHBondContact O-N 3.03Å
186	D	81.1	Confident	81.1	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.193	29%	0.29	C	S	.	.			trans	-73.4	122	-175.4	177.8	-6.7	0	0	0	111.5	A188 Y189	D186-A188 VanDerWaalsContact C-N 3.26Å; D186-A188 PolarHBondContact O-N 3.32Å; D186-A188 VanDerWaalsContact OD1-CB 3.29Å; D186-A188 WeakPolarHBondContact OD1-CB 3.44Å; D186-A188 PolarHBondContact OD1-N 3.14Å; D186-Y189 HydrophobicContact CB-CD2 3.8Å; D186-Y189 HydrophobicContact CB-CE2 4.19Å; D186-Y189 PolarHBondContact O-N 2.88Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.39Å; D186-Y189 WeakPolarHBondContact OD2-CE2 3.22Å
187	P	80.7	Confident	80.2	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.013	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.7	-178.6	31.6	-35.3	0	0	0	114	Y189 L190 P191 L318 T322 A326	P187-Y189 VanDerWaalsContact C-N 3.35Å; P187-L190 WeakPolarHBondContact O-CB 3.29Å; P187-L190 PolarHBondContact O-N 2.62Å; P187-P191 WeakPolarHBondContact O-CD 3.41Å; P187-L318 HydrophobicContact CG-CD1 3.71Å; P187-L318 HydrophobicContact CG-CD2 4.28Å; P187-T322 HydrophobicContact CB-CG2 4.18Å; P187-T322 HydrophobicContact CG-CG2 4.28Å; P187-A326 HydrophobicContact CB-CB 3.44Å; P187-A326 VanDerWaalsContact CB-CB 3.44Å
188	A	80.1	Confident	78.9	Confident	49 Å²	49	60.4 Å²	60.4	41%	0.405	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-30	178.4	0	0	0	0	0	113.1	D186 L190 L318 T322	D186-A188 VanDerWaalsContact C-N 3.26Å; D186-A188 PolarHBondContact O-N 3.32Å; D186-A188 VanDerWaalsContact OD1-CB 3.29Å; D186-A188 WeakPolarHBondContact OD1-CB 3.44Å; D186-A188 PolarHBondContact OD1-N 3.14Å; A188-L190 VanDerWaalsContact C-N 3.33Å; A188-L318 HydrophobicContact CB-CD2 3.85Å; A188-T322 HydrophobicContact CB-CG2 4.31Å
189	Y	81.8	Confident	76.3	Confident	142 Å²	142	62.9 Å²	62.9	56%	0.557	31%	0.309	S	S	*	.	H	α-helix	trans	-76.9	-20.1	176.4	-69.1	-85.7	0	0	0	113.1	D186 P187 A192 L193	D186-Y189 HydrophobicContact CB-CD2 3.8Å; D186-Y189 HydrophobicContact CB-CE2 4.19Å; D186-Y189 PolarHBondContact O-N 2.88Å; D186-Y189 WeakPolarHBondContact OD2-CD2 3.39Å; D186-Y189 WeakPolarHBondContact OD2-CE2 3.22Å; P187-Y189 VanDerWaalsContact C-N 3.35Å; Y189-A192 PolarHBondContact O-N 2.82Å; Y189-A192 VanDerWaalsContact O-N 3.13Å; Y189-L193 WeakPolarHBondContact O-CG 3.39Å; Y189-L193 PolarHBondContact O-N 2.7Å
190	L	82.3	Confident	73.8	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-55.7	-54	-175.4	177.9	67.8	0	0	0	111.9	F181 P187 A188 A192 L193 L194 F325 A326 F329 Y330	F181-L190 HydrophobicContact CB-CD1 4.12Å; F181-L190 HydrophobicContact CD1-CD1 4.15Å; F181-L190 HydrophobicContact CG-CD1 4.42Å; P187-L190 WeakPolarHBondContact O-CB 3.29Å; P187-L190 PolarHBondContact O-N 2.62Å; A188-L190 VanDerWaalsContact C-N 3.33Å; L190-A192 VanDerWaalsContact C-N 3.28Å; L190-A192 PolarHBondContact O-N 3.29Å; L190-L193 PolarHBondContact O-N 3.36Å; L190-L194 HydrophobicContact CD1-CD1 4.44Å; L190-L194 HydrophobicContact CD1-CD2 3.93Å; L190-L194 HydrophobicContact CD1-CG 4.04Å; L190-L194 HydrophobicContact CG-CD1 4.12Å; L190-L194 HydrophobicContact CG-CD2 4.5Å; L190-L194 HydrophobicContact CG-CG 4.17Å; L190-L194 VanDerWaalsContact O-CG 3.28Å; L190-L194 WeakPolarHBondContact O-CG 3.29Å; L190-L194 PolarHBondContact O-N 3.25Å; L190-F325 HydrophobicContact CD2-CD1 4.28Å; L190-F325 HydrophobicContact CD2-CE1 4.09Å; L190-F325 HydrophobicContact CG-CE1 4.32Å; L190-A326 HydrophobicContact CD2-CB 3.89Å; L190-F329 HydrophobicContact CD1-CD1 4.01Å; L190-F329 HydrophobicContact CD1-CE1 3.85Å; L190-F329 HydrophobicContact CD1-CZ 4.36Å; L190-F329 HydrophobicContact CD2-CB 3.99Å; L190-F329 HydrophobicContact CD2-CD1 3.67Å; L190-F329 HydrophobicContact CD2-CE1 4.38Å; L190-F329 HydrophobicContact CD2-CG 3.93Å; L190-F329 HydrophobicContact CG-CD1 4.45Å; L190-Y330 HydrophobicContact CD2-CE2 4.38Å
191	P	78.8	Confident	71.5	Confident	59 Å²	59	66.1 Å²	66.1	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-50.4	-42.7	175.1	-28	34.6	0	0	0	114.5	P187 L194 E195 F325	P187-P191 WeakPolarHBondContact O-CD 3.41Å; P191-L194 PolarHBondContact O-N 3.4Å; P191-E195 WeakPolarHBondContact O-CB 3.36Å; P191-E195 PolarHBondContact O-N 3.42Å; P191-F325 HydrophobicContact CG-CD1 4.15Å; P191-F325 HydrophobicContact CG-CE1 3.86Å
192	A	79	Confident	68.9	Low	49 Å²	49	69.1 Å²	69.1	41%	0.405	37%	0.366	S	S	.	.	H	α-helix	trans	-69.5	-33.4	179.6	0	0	0	0	0	112.9	Y189 L190 R196	Y189-A192 PolarHBondContact O-N 2.82Å; Y189-A192 VanDerWaalsContact O-N 3.13Å; L190-A192 VanDerWaalsContact C-N 3.28Å; L190-A192 PolarHBondContact O-N 3.29Å; A192-R196 WeakPolarHBondContact O-CB 3.28Å; A192-R196 VanDerWaalsContact O-CG 3.23Å; A192-R196 WeakPolarHBondContact O-CG 3.2Å; A192-R196 PolarHBondContact O-N 2.93Å; A192-R196 VanDerWaalsContact O-N 3.14Å
193	L	79.1	Confident	66.3	Low	22 Å²	22	72.7 Å²	72.7	12%	0.115	39%	0.388	C	S	.	.	H	α-helix	trans	-71.5	-40.7	173.6	-66	166.9	0	0	0	111.6	F181 H184 Y189 L190 R197	F181-L193 HydrophobicContact CD1-CB 3.88Å; F181-L193 HydrophobicContact CE1-CB 3.81Å; H184-L193 HydrophobicContact CB-CD1 4.13Å; H184-L193 WeakPolarHBondContact CD2-CD1 3.21Å; Y189-L193 WeakPolarHBondContact O-CG 3.39Å; Y189-L193 PolarHBondContact O-N 2.7Å; L190-L193 PolarHBondContact O-N 3.36Å; L193-R197 PolarHBondContact O-N 2.81Å
194	L	78.1	Confident	63.9	Low	5 Å²	5	76.8 Å²	76.8	3%	0.026	40%	0.397	C	S	.	.	H	α-helix	trans	-59.7	-47.3	174.2	-61.1	175.9	0	0	0	110.5	F181 L190 P191 R196 R197 R198 F325 F329 F717 I721	F181-L194 HydrophobicContact CD1-CD2 4.35Å; F181-L194 HydrophobicContact CE1-CD2 4.31Å; L190-L194 HydrophobicContact CD1-CD1 4.44Å; L190-L194 HydrophobicContact CD1-CD2 3.93Å; L190-L194 HydrophobicContact CD1-CG 4.04Å; L190-L194 HydrophobicContact CG-CD1 4.12Å; L190-L194 HydrophobicContact CG-CD2 4.5Å; L190-L194 HydrophobicContact CG-CG 4.17Å; L190-L194 VanDerWaalsContact O-CG 3.28Å; L190-L194 WeakPolarHBondContact O-CG 3.29Å; L190-L194 PolarHBondContact O-N 3.25Å; P191-L194 PolarHBondContact O-N 3.4Å; L194-R196 PolarHBondContact O-N 3.49Å; L194-R197 PolarHBondContact O-N 3.36Å; L194-R198 PolarHBondContact O-N 3.46Å; L194-F325 HydrophobicContact CD1-CE1 3.76Å; L194-F325 HydrophobicContact CD1-CZ 3.64Å; L194-F329 HydrophobicContact CD2-CD2 4.22Å; L194-F329 HydrophobicContact CD2-CE2 3.61Å; L194-F329 HydrophobicContact CD2-CZ 3.84Å; L194-F717 HydrophobicContact CB-CE1 4.24Å; L194-F717 HydrophobicContact CB-CZ 4.23Å; L194-F717 HydrophobicContact CD2-CE1 4.03Å; L194-F717 HydrophobicContact CD2-CE2 3.7Å; L194-F717 HydrophobicContact CD2-CZ 3.25Å; L194-F717 HydrophobicContact CG-CZ 4.3Å; L194-F717 WeakPolarHBondContact O-CE1 3.48Å; L194-I721 HydrophobicContact CB-CD1 3.92Å; L194-I721 HydrophobicContact CD1-CD1 4.36Å; L194-I721 HydrophobicContact CD1-CG1 4.23Å; L194-I721 HydrophobicContact CD2-CD1 4.2Å; L194-I721 HydrophobicContact CG-CD1 4.36Å
195	E	72.5	Confident	61.6	Low	103 Å²	103	81.6 Å²	81.6	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-67.8	-37.9	-177.6	-163.4	57.5	-150.9	0	0	112.6	P191 R197 R198 V199	P191-E195 WeakPolarHBondContact O-CB 3.36Å; P191-E195 PolarHBondContact O-N 3.42Å; E195-R197 PolarHBondContact O-N 2.87Å; E195-R197 VanDerWaalsContact O-N 3.11Å; E195-R198 PolarHBondContact O-N 2.87Å; E195-V199 PolarHBondContact O-N 3.37Å
196	R	71.1	Confident	59.3	Low	198 Å²	198	87.5 Å²	87.5	75%	0.747	44%	0.438	S	S	*	.	H	α-helix	trans	-56.6	-26.2	172.9	-80.3	171.2	179.4	-172.1	1.8	113.9	A192 L194	A192-R196 WeakPolarHBondContact O-CB 3.28Å; A192-R196 VanDerWaalsContact O-CG 3.23Å; A192-R196 WeakPolarHBondContact O-CG 3.2Å; A192-R196 PolarHBondContact O-N 2.93Å; A192-R196 VanDerWaalsContact O-N 3.14Å; L194-R196 PolarHBondContact O-N 3.49Å
197	R	66.2	Low	56.8	Low	74 Å²	74	91.8 Å²	91.8	28%	0.279	46%	0.46	S	S	.	.	H	α-helix	trans	-88.4	-25.3	176.6	173.5	169.9	168.5	157.5	-0.9	113.2	R176 G177 L193 L194 E195 D715 F717	R176-R197 PolarHBondContact O-NH1 3.5Å; R176-R197 PolarHBondContact O-NH2 3.37Å; G177-R197 PolarHBondContact O-NH1 3.22Å; L193-R197 PolarHBondContact O-N 2.81Å; L194-R197 PolarHBondContact O-N 3.36Å; E195-R197 PolarHBondContact O-N 2.87Å; E195-R197 VanDerWaalsContact O-N 3.11Å; R197-D715 IonicContact CZ-OD2 3.24Å; R197-D715 IonicContact NE-OD2 3.26Å; R197-D715 PolarHBondContact NE-OD2 3Å; R197-D715 PolarHBondContact NH2-O 3.2Å; R197-D715 VanDerWaalsContact NH2-O 3.12Å; R197-D715 IonicContact NH2-OD2 3.19Å; R197-D715 PolarHBondContact NH2-OD2 3.1Å; R197-F717 HydrophobicContact CB-CE1 3.78Å; R197-F717 HydrophobicContact CB-CZ 4.33Å; R197-F717 HydrophobicContact CG-CD1 4.04Å; R197-F717 HydrophobicContact CG-CE1 3.74Å; R197-F717 HydrophobicContact CG-CZ 4.32Å
198	R	57.6	Low	54.3	Low	71 Å²	71	98.7 Å²	98.7	27%	0.268	50%	0.502	S	S	.	.	H	α-helix	trans	-70.1	-32	175.8	-83.5	-175.9	147.4	177.4	-5	113.7	L194 E195 P200 D718 N722	L194-R198 PolarHBondContact O-N 3.46Å; E195-R198 PolarHBondContact O-N 2.87Å; R198-P200 WeakPolarHBondContact O-CD 3.4Å; R198-D718 IonicContact CZ-OD1 2.71Å; R198-D718 VanDerWaalsContact CZ-OD1 3.26Å; R198-D718 IonicContact NE-OD1 2.83Å; R198-D718 PolarHBondContact NE-OD1 3.45Å; R198-D718 IonicContact NH2-OD1 2.85Å; R198-D718 PolarHBondContact NH2-OD1 3.25Å; R198-N722 PolarHBondContact NH2-OD1 3.2Å
199	V	31.3	Very low	51.9	Low	64 Å²	64	104.5 Å²	104.5	39%	0.388	52%	0.521	S	S	.	.	S	Bend	trans	-63.8	121.9	179.8	-179.1	0	0	0	0	110.4	E195 I201 V203	E195-V199 PolarHBondContact O-N 3.37Å; V199-I201 PolarHBondContact O-N 2.85Å; V199-V203 HydrophobicContact CG1-CB 4.01Å; V199-V203 HydrophobicContact CG1-CG2 4.4Å
200	P	35.1	Very low	49.3	Very low	92 Å²	92	106.5 Å²	106.5	60%	0.597	53%	0.533	S	S	*	.			trans	-57.5	136.1	177.4	-25.9	35.3	0	0	0	111.9	R198 G202 V203	R198-P200 WeakPolarHBondContact O-CD 3.4Å; P200-G202 PolarHBondContact O-N 3.29Å; P200-V203 HydrophobicContact CB-CG2 4.46Å; P200-V203 PolarHBondContact O-N 3.39Å
201	I	35.6	Very low	46.6	Very low	127 Å²	127	110.7 Å²	110.7	65%	0.651	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-56	-19.2	-171.2	-68.3	170.9	0	0	0	113.7	V199	V199-I201 PolarHBondContact O-N 2.85Å
202	G	31.9	Very low	44.2	Very low	64 Å²	64	114 Å²	114	66%	0.66	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-75.9	-9.1	175.3	0	0	0	0	0	117.1	P200	P200-G202 PolarHBondContact O-N 3.29Å
203	V	32.2	Very low	41.8	Very low	78 Å²	78	120.3 Å²	120.3	47%	0.473	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-94.6	8.4	-173.6	-161.9	0	0	0	0	113.3	V199 P200 H205	V199-V203 HydrophobicContact CG1-CB 4.01Å; V199-V203 HydrophobicContact CG1-CG2 4.4Å; P200-V203 HydrophobicContact CB-CG2 4.46Å; P200-V203 PolarHBondContact O-N 3.39Å; V203-H205 PolarHBondContact O-N 3.4Å
204	R	32.3	Very low	39.4	Very low	222 Å²	222	127.3 Å²	127.3	84%	0.838	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	12.4	-169.7	-108	-178.8	-177.6	179.4	1.8	117.8
205	H	29.4	Very low	37.1	Very low	192 Å²	192	133.8 Å²	133.8	89%	0.889	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	16.7	-174.8	-92.1	-71.1	0	0	0	115.6	V203	V203-H205 PolarHBondContact O-N 3.4Å
206	K	29.3	Very low	35	Very low	185 Å²	185	133 Å²	133	80%	0.804	68%	0.68	S	S	*	*	S	Bend	trans	-140.2	18	-177.6	-125.1	-176.4	-177.1	-170.8	0	117.7
207	L	29	Very low	33	Very low	126 Å²	126	130.7 Å²	130.7	66%	0.66	68%	0.683	S	S	*	*			trans	-130.8	70.7	178.6	-70.4	172.2	0	0	0	111.4	F210	L207-F210 HydrophobicContact CD2-CD2 3.93Å; L207-F210 HydrophobicContact CD2-CE2 4.22Å
208	T	29	Very low	31.3	Very low	147 Å²	147	133.4 Å²	133.4	90%	0.902	71%	0.713	S	S	*	*			trans	-114.4	36.3	166.3	44.9	0	0	0	0	110.3
209	E	27.7	Very low	29.8	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	74%	0.738	S	S	*	*			trans	-148.3	27.4	-165.7	-144.6	163.3	-119.4	0	0	113.3
210	F	27.9	Very low	29.8	Very low	184 Å²	184	140.4 Å²	140.4	81%	0.807	76%	0.758	S	S	*	*			trans	-136	83.5	173.5	-83.6	-80.4	0	0	0	111.6	L207	L207-F210 HydrophobicContact CD2-CD2 3.93Å; L207-F210 HydrophobicContact CD2-CE2 4.22Å
211	S	25	Very low	29.6	Very low	92 Å²	92	143.8 Å²	143.8	64%	0.643	77%	0.766	S	S	*	*			trans	-82.1	138.7	162.9	-64.1	0	0	0	0	109.9	F213	S211-F213 PolarHBondContact O-N 3.38Å
212	P	30.3	Very low	29.2	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	77%	0.771	S	S	*	*			trans	-75.3	97.2	174.4	30.7	-32.9	0	0	0	110	L214	P212-L214 PolarHBondContact O-N 3.48Å
213	F	27.6	Very low	29.1	Very low	180 Å²	180	149 Å²	149	79%	0.789	78%	0.781	S	S	*	*			trans	-71.1	90.8	174.1	-88.3	-83	0	0	0	111.4	S211 D215	S211-F213 PolarHBondContact O-N 3.38Å; F213-D215 HydrophobicContact CD1-CB 4.41Å
214	L	29.1	Very low	29	Very low	169 Å²	169	150 Å²	150	89%	0.885	80%	0.798	S	S	*	*			trans	-75.3	103.9	142.9	-81.5	167.6	0	0	0	107.3	P212	P212-L214 PolarHBondContact O-N 3.48Å
215	D	28.3	Very low	29	Very low	142 Å²	142	145.4 Å²	145.4	76%	0.759	80%	0.8	S	S	*	*			trans	-148.8	154	162.3	-125.5	-35.1	0	0	0	111.6	F213	F213-D215 HydrophobicContact CD1-CB 4.41Å
216	S	29.8	Very low	29.1	Very low	86 Å²	86	145.9 Å²	145.9	60%	0.601	80%	0.799	S	S	*	*			trans	-113.1	150.7	-167.4	68.9	0	0	0	0	113.5
217	N	28	Very low	29.3	Very low	150 Å²	150	144.8 Å²	144.8	80%	0.802	80%	0.802	S	S	*	*			trans	64	99.1	164.2	-54.3	-44.7	0	0	0	118.1
218	S	31.5	Very low	29.6	Very low	131 Å²	131	143.6 Å²	143.6	92%	0.916	80%	0.804	S	S	*	*			trans	-158	168.3	131.4	37.8	0	0	0	0	110.2
219	C	25.7	Very low	30	Very low	119 Å²	119	141.7 Å²	141.7	80%	0.804	79%	0.794	S	S	*	*			trans	-127.9	179.3	-164.9	-162.6	0	0	0	0	111.9
220	M	30.5	Very low	30.1	Very low	162 Å²	162	142.5 Å²	142.5	80%	0.798	80%	0.795	S	S	*	*			trans	95.9	132.8	-170.6	-59.6	179.7	-71.2	0	0	113.4
221	E	31.5	Very low	30.3	Very low	164 Å²	164	142 Å²	142	77%	0.766	80%	0.8	S	S	*	*			cis	-157.7	159.9	-5.7	-122.2	172.3	-179.4	0	0	110.4
222	C	28.1	Very low	30.4	Very low	113 Å²	113	146.3 Å²	146.3	76%	0.764	81%	0.81	S	S	*	*			trans	42	133.5	150.2	-67.8	0	0	0	0	121.2
223	E	28.9	Very low	30.5	Very low	186 Å²	186	146.1 Å²	146.1	87%	0.869	81%	0.811	S	S	*	*			cis	-146.7	-170.7	20.1	-65.8	-166.2	111	0	0	113.1
224	A	30.4	Very low	30.5	Very low	99 Å²	99	144 Å²	144	82%	0.818	81%	0.814	S	S	*	*			trans	78.8	62.4	157.1	0	0	0	0	0	120.1
225	S	31.8	Very low	30.4	Very low	127 Å²	127	142.3 Å²	142.3	89%	0.888	81%	0.814	S	S	*	*			trans	-161.3	141.7	130.5	35.4	0	0	0	0	112.2
226	K	32.7	Very low	30.3	Very low	201 Å²	201	140.7 Å²	140.7	87%	0.874	81%	0.814	S	S	*	*			trans	-114.2	163.1	175.2	-76.9	-179	175.5	174.8	0	109.8
227	L	32.7	Very low	30.6	Very low	163 Å²	163	143.6 Å²	143.6	85%	0.853	83%	0.828	S	S	*	*			trans	94.2	54.4	172.1	-56.4	159	0	0	0	118
228	S	34.6	Very low	30.8	Very low	100 Å²	100	143 Å²	143	70%	0.699	83%	0.825	S	S	*	*				15.7	158	114.4	61.9	0	0	0	0	121.2
229	P	37.4	Very low	30.7	Very low	107 Å²	107	147.2 Å²	147.2	70%	0.695	82%	0.82	S	S	*	*			cis	-149.7	-177	-26.5	40.5	-21.1	0	0	0	117.1
230	K	31	Very low	31	Very low	188 Å²	188	150.2 Å²	150.2	82%	0.817	82%	0.823	S	S	*	*			trans	68.1	116.2	146.5	-82.8	174.9	178	-173.8	0	121.3
231	L	32.1	Very low	31.1	Very low	175 Å²	175	152.2 Å²	152.2	92%	0.916	83%	0.83	S	S	*	*				-160.6	144.8	114.7	-110.5	160.2	0	0	0	110.3
232	E	25.4	Very low	30.9	Very low	182 Å²	182	149.7 Å²	149.7	85%	0.85	83%	0.831	S	S	*	*			trans	-119.3	145.2	-175.5	-62.5	170.1	127.9	0	0	110.8
233	S	33.1	Very low	31	Very low	125 Å²	125	152.1 Å²	152.1	87%	0.874	84%	0.835	S	S	*	*			trans	-157.6	144.9	152.8	59.2	0	0	0	0	111.3
234	T	27.1	Very low	31.1	Very low	136 Å²	136	149.4 Å²	149.4	83%	0.834	83%	0.831	S	S	*	*			trans	-104.5	150.7	-168.4	51.6	0	0	0	0	113.2
235	C	28.4	Very low	30.8	Very low	132 Å²	132	150 Å²	150	89%	0.892	83%	0.828	S	S	*	*			trans	-153.9	138.7	151.4	-143.2	0	0	0	0	111.3
236	S	26.5	Very low	30.7	Very low	109 Å²	109	153 Å²	153	76%	0.762	83%	0.828	S	S	*	*			trans	-154	115	-169.6	56.6	0	0	0	0	113.7
237	V	34.3	Very low	30.4	Very low	147 Å²	147	148.4 Å²	148.4	89%	0.891	82%	0.82	S	S	*	*			trans	-154.3	150.6	172.9	-171.4	0	0	0	0	109.4
238	N	32.2	Very low	30.2	Very low	137 Å²	137	149.3 Å²	149.3	73%	0.733	82%	0.82	S	S	*	*				-166.2	163.5	-50	-158.4	-13.8	0	0	0	108.3
239	R	31	Very low	30	Very low	219 Å²	219	150.1 Å²	150.1	83%	0.826	83%	0.826	S	S	*	*			trans	70.4	124.6	178	-54.1	175.6	175.6	178	-2.6	114.4
240	Q	30.4	Very low	29.6	Very low	183 Å²	183	151.9 Å²	151.9	86%	0.855	83%	0.829	S	S	*	*			cis	74.8	103.5	41.5	-64.6	-170.2	-34.7	0	0	116
241	Q	33.5	Very low	29.6	Very low	203 Å²	203	150.1 Å²	150.1	95%	0.949	83%	0.827	S	S	*	*				-152.7	150.5	122.4	-111.2	175.9	3.5	0	0	109.6
242	S	26.9	Very low	29.4	Very low	112 Å²	112	150.7 Å²	150.7	78%	0.783	83%	0.825	S	S	*	*			trans	-148.1	142.4	-172	56.6	0	0	0	0	111.3
243	L	31.3	Very low	29.4	Very low	164 Å²	164	151 Å²	151	86%	0.859	83%	0.826	S	S	*	*			trans	-157	98.4	159.6	-97.5	143.8	0	0	0	106.5
244	V	31.1	Very low	29.2	Very low	128 Å²	128	149.5 Å²	149.5	78%	0.776	82%	0.816	S	S	*	*				81	122.5	102	167.5	0	0	0	0	113
245	C	23.2	Very low	29.1	Very low	111 Å²	111	150.5 Å²	150.5	75%	0.75	82%	0.815	S	S	*	*			trans	-109.6	144.9	173.5	177.8	0	0	0	0	109.2
246	Q	30	Very low	29.1	Very low	191 Å²	191	151 Å²	151	89%	0.893	81%	0.807	S	S	*	*			trans	-143.3	140.5	161.8	-113.2	174.7	-16.3	0	0	108.9
247	C	25.9	Very low	29.1	Very low	105 Å²	105	154.8 Å²	154.8	71%	0.709	81%	0.806	S	S	*	*			trans	-132.6	179.5	-169.2	48	0	0	0	0	111.3
248	Q	28.9	Very low	28.8	Very low	181 Å²	181	153.8 Å²	153.8	85%	0.846	80%	0.802	S	S	*	*			trans	76.6	100.4	-177.5	-52.1	-172.3	-79.3	0	0	117.1
249	S	31	Very low	28.7	Very low	118 Å²	118	152.5 Å²	152.5	83%	0.825	80%	0.8	S	S	*	*			trans	-150.9	106.1	132.2	62.8	0	0	0	0	109.1
250	D	28.2	Very low	28.5	Very low	144 Å²	144	148.8 Å²	148.8	77%	0.77	80%	0.796	S	S	*	*			trans	-63.9	150.7	165.7	-63.8	-80.3	0	0	0	110.6
251	I	31.3	Very low	28.3	Very low	151 Å²	151	150.9 Å²	150.9	77%	0.774	80%	0.796	S	S	*	*			trans	174.3	118	131.5	-90.4	154.9	0	0	0	111.3
252	Q	28.8	Very low	28	Very low	186 Å²	186	150.2 Å²	150.2	87%	0.869	79%	0.793	S	S	*	*			trans	58.6	143.6	152.6	-66	-176.5	-7.7	0	0	122.6
253	H	25.5	Very low	28	Very low	190 Å²	190	149.8 Å²	149.8	88%	0.88	79%	0.79	S	S	*	*			trans	-69.1	136.9	178	-72.8	-158.8	0	0	0	113.6
254	S	27.4	Very low	27.9	Very low	93 Å²	93	152.8 Å²	152.8	65%	0.65	79%	0.792	S	S	*	*			trans	-146.9	106.7	143.2	64.7	0	0	0	0	111	I256	S254-I256 PolarHBondContact O-N 2.66Å; S254-I256 VanDerWaalsContact O-N 3.12Å
255	L	25.7	Very low	27.7	Very low	156 Å²	156	151.6 Å²	151.6	82%	0.817	78%	0.784	S	S	*	*			trans	-75	96.6	172.7	-85	165.4	0	0	0	109.9
256	I	28.5	Very low	27.8	Very low	144 Å²	144	151.4 Å²	151.4	74%	0.738	78%	0.784	S	S	*	*			trans	-107.3	101.1	171.2	-57.7	178.6	0	0	0	108.1	S254	S254-I256 PolarHBondContact O-N 2.66Å; S254-I256 VanDerWaalsContact O-N 3.12Å
257	Y	27.3	Very low	27.6	Very low	188 Å²	188	151.4 Å²	151.4	74%	0.737	78%	0.776	S	S	*	*			trans	-70.9	131.9	167	-80.4	-90	0	0	0	109.5	T259	Y257-T259 PolarHBondContact O-N 2.7Å
258	P	27.4	Very low	27.7	Very low	125 Å²	125	152.6 Å²	152.6	81%	0.812	78%	0.78	S	S	*	*			trans	-70.1	115.2	168.1	28.7	-32.1	0	0	0	109.3
259	T	28.9	Very low	27.7	Very low	110 Å²	110	150.4 Å²	150.4	68%	0.675	77%	0.77	S	S	*	*			trans	-81.7	163	176.6	60.3	0	0	0	0	112.4	Y257	Y257-T259 PolarHBondContact O-N 2.7Å
260	D	27.5	Very low	27.6	Very low	142 Å²	142	150.3 Å²	150.3	76%	0.759	77%	0.77	S	S	*	*			trans	61.4	79.2	155.7	-53.3	-45.9	0	0	0	119.7
261	R	26.2	Very low	27.7	Very low	226 Å²	226	150.4 Å²	150.4	85%	0.853	77%	0.769	S	S	*	*			trans	-139.5	51.5	152.5	-78.9	-156.8	172.2	174.1	1.1	115.7
262	H	28.3	Very low	27.5	Very low	189 Å²	189	148.6 Å²	148.6	88%	0.875	77%	0.766	S	S	*	*			trans	-125	57.6	164.8	-81.8	-83.9	0	0	0	113.4
263	S	26.7	Very low	27.5	Very low	104 Å²	104	149.7 Å²	149.7	73%	0.727	77%	0.769	S	S	*	*			trans	-98	66.8	168.7	63.4	0	0	0	0	111.2	V265	S263-V265 PolarHBondContact O-N 3.17Å
264	Y	27.6	Very low	27.8	Very low	226 Å²	226	145.5 Å²	145.5	89%	0.886	76%	0.761	S	S	*	*			trans	-77	73.5	173.5	-126.1	-84.8	0	0	0	110.5	S266	Y264-S266 PolarHBondContact O-N 3.32Å
265	V	27.6	Very low	28	Very low	103 Å²	103	152.7 Å²	152.7	62%	0.624	77%	0.774	S	S	*	*			trans	-70.2	114.8	174.4	178.8	0	0	0	0	108.5	S263 R267	S263-V265 PolarHBondContact O-N 3.17Å; V265-R267 HydrophobicContact CG1-CG 4.19Å; V265-R267 PolarHBondContact O-N 2.88Å
266	S	25.5	Very low	28.2	Very low	107 Å²	107	153.1 Å²	153.1	75%	0.748	78%	0.777	S	S	*	*			trans	-70.4	72.7	172.1	40.9	0	0	0	0	111.4	Y264 T268	Y264-S266 PolarHBondContact O-N 3.32Å; S266-T268 VanDerWaalsContact C-N 3.26Å; S266-T268 PolarHBondContact O-N 3.32Å
267	R	26	Very low	28.3	Very low	192 Å²	192	150.9 Å²	150.9	73%	0.725	77%	0.774	S	S	*	*			trans	-70.6	81.6	167.3	-90.9	-163.8	177.7	-163.7	9.2	110.4	V265 Q269	V265-R267 HydrophobicContact CG1-CG 4.19Å; V265-R267 PolarHBondContact O-N 2.88Å; R267-Q269 PolarHBondContact O-N 3.49Å
268	T	28.2	Very low	28.6	Very low	129 Å²	129	148 Å²	148	79%	0.791	78%	0.776	S	S	*	*			trans	-74.2	73	155.9	50	0	0	0	0	109.2	S266 S270	S266-T268 VanDerWaalsContact C-N 3.26Å; S266-T268 PolarHBondContact O-N 3.32Å; T268-S270 PolarHBondContact O-N 2.88Å
269	Q	29.4	Very low	28.9	Very low	135 Å²	135	147.2 Å²	147.2	63%	0.631	77%	0.769	S	S	*	*			trans	-80.9	110.2	166.2	-75.2	-170.1	-83.7	0	0	108.9	R267 I271	R267-Q269 PolarHBondContact O-N 3.49Å; Q269-I271 PolarHBondContact O-N 3.39Å
270	S	27.5	Very low	28.9	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	78%	0.775	S	S	*	*			trans	-65.9	121.3	168.3	52.5	0	0	0	0	110.4	T268	T268-S270 PolarHBondContact O-N 2.88Å
271	I	30.2	Very low	29.2	Very low	146 Å²	146	146.6 Å²	146.6	75%	0.749	77%	0.774	S	S	*	*			trans	-113.6	127.2	164.4	-60.7	179.5	0	0	0	106.6	Q269	Q269-I271 PolarHBondContact O-N 3.39Å
272	P	28.6	Very low	29.5	Very low	112 Å²	112	140.4 Å²	140.4	73%	0.727	77%	0.765	S	S	*	*			trans	-77.3	131	-172	30.1	-34.4	0	0	0	111.9	S274	P272-S274 PolarHBondContact O-N 2.86Å
273	F	28.8	Very low	29.8	Very low	209 Å²	209	138.7 Å²	138.7	92%	0.917	76%	0.763	S	S	*	*			trans	-88.4	93.9	163.2	-93.9	-84.6	0	0	0	109.9
274	S	31.7	Very low	30	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	77%	0.765	S	S	*	*			trans	-68.5	146.8	156.8	-69.7	0	0	0	0	109.5	P272	P272-S274 PolarHBondContact O-N 2.86Å
275	R	30.2	Very low	30.4	Very low	245 Å²	245	134.2 Å²	134.2	93%	0.925	76%	0.756	S	S	*	*			trans	-88.7	123.5	172.4	-73	172.5	166.3	166.4	-8.2	109.4
276	D	29.9	Very low	30.6	Very low	164 Å²	164	134.1 Å²	134.1	88%	0.877	76%	0.76	S	S	*	*			trans	-106.6	142.5	159.2	-75.1	-43	0	0	0	109.8
277	S	32	Very low	30.8	Very low	97 Å²	97	134.5 Å²	134.5	68%	0.678	76%	0.762	S	S	*	*			trans	-154.2	125.7	174.5	58.5	0	0	0	0	110.5
278	T	32.8	Very low	30.9	Very low	127 Å²	127	130.5 Å²	130.5	78%	0.779	76%	0.763	S	S	*	*			trans	65.2	138.6	165.5	63.3	0	0	0	0	116.4
279	T	32.9	Very low	31.1	Very low	110 Å²	110	132.8 Å²	132.8	68%	0.675	77%	0.77	S	S	*	*			cis	-161.9	155.2	-2.5	6.4	0	0	0	0	111.2
280	D	30.2	Very low	30.9	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	77%	0.773	S	S	*	*			trans	67.3	151.1	144.9	-60	-22.3	0	0	0	124.6
281	A	32.6	Very low	31.2	Very low	88 Å²	88	130.4 Å²	130.4	73%	0.727	77%	0.765	S	S	*	*			trans	89.6	98.2	150.1	0	0	0	0	0	121.2
282	S	33.4	Very low	31.2	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	77%	0.767	S	S	*	*			trans	52.7	110.4	132	62.9	0	0	0	0	120.8
283	N	34.2	Very low	31.2	Very low	153 Å²	153	134 Å²	134	82%	0.818	77%	0.766	S	S	*	*				-171.7	166	85.2	-94.6	-45.2	0	0	0	114.2
284	T	31.7	Very low	31.3	Very low	127 Å²	127	131 Å²	131	78%	0.779	76%	0.759	S	S	*	*			trans	-121.1	-175.2	-171	49	0	0	0	0	110.4
285	P	36.1	Very low	31.1	Very low	108 Å²	108	132.7 Å²	132.7	70%	0.701	76%	0.759	S	S	*	*			cis	-137.2	-170.2	-43.5	32.9	-13.4	0	0	0	114.3
286	S	30.4	Very low	31.1	Very low	101 Å²	101	129 Å²	129	71%	0.706	76%	0.758	S	S	*	*			trans	103.5	162.7	131.4	80.2	0	0	0	0	122
287	C	29.8	Very low	31	Very low	115 Å²	115	124.4 Å²	124.4	78%	0.777	75%	0.75	S	S	*	*			trans	65.7	97.2	175.2	-55.8	0	0	0	0	115.6
288	S	28	Very low	31	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	76%	0.758	S	S	*	*			cis	82.8	107.9	30.6	92.3	0	0	0	0	116.5
289	L	32.7	Very low	30.8	Very low	178 Å²	178	129.4 Å²	129.4	93%	0.932	76%	0.763	S	S	*	*			trans	-174.4	138.3	134	-99.9	159.9	0	0	0	111.1
290	S	24.4	Very low	30.7	Very low	101 Å²	101	133 Å²	133	71%	0.706	77%	0.772	S	S	*	*			trans	-118.7	174.8	169.8	65.7	0	0	0	0	107.1
291	P	34.4	Very low	30.6	Very low	100 Å²	100	136.6 Å²	136.6	65%	0.649	77%	0.774	S	S	*	*			cis	-153.7	-178.8	32.5	45.6	-24.3	0	0	0	120
292	Y	30.4	Very low	30.6	Very low	199 Å²	199	136.3 Å²	136.3	78%	0.78	77%	0.767	S	S	*	*			trans	69.3	125.8	150.8	-76.5	-59	0	0	0	123.6
293	N	29.3	Very low	30.3	Very low	134 Å²	134	139 Å²	139	72%	0.717	78%	0.779	S	S	*	*			trans	64.4	129.6	139.5	-71	-2.7	0	0	0	118.8
294	I	30.5	Very low	29.9	Very low	147 Å²	147	137.7 Å²	137.7	75%	0.754	77%	0.772	S	S	*	*			cis	-147.8	162.8	30.3	-101.9	131.3	0	0	0	111.9
295	N	27.3	Very low	29.8	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	77%	0.773	S	S	*	*			trans	-21.6	136.1	168.4	-46.9	-16.2	0	0	0	117.5
296	D	30.7	Very low	29.4	Very low	167 Å²	167	135.4 Å²	135.4	89%	0.893	78%	0.775	S	S	*	*				-157.2	164.2	93.4	-115.5	-29.2	0	0	0	113.3
297	G	28	Very low	29.4	Very low	68 Å²	68	135.8 Å²	135.8	70%	0.701	78%	0.777	S	S	*	*			trans	-85.3	133.3	-155.9	0	0	0	0	0	118.1
298	L	31.9	Very low	29.4	Very low	164 Å²	164	138.8 Å²	138.8	86%	0.859	78%	0.778	S	S	*	*			trans	-117.7	119.6	165.9	-80.9	170	0	0	0	111.7	H300	L298-H300 PolarHBondContact O-N 2.91Å; L298-H300 VanDerWaalsContact O-N 3.12Å
299	N	28.6	Very low	29.4	Very low	166 Å²	166	137.9 Å²	137.9	89%	0.888	77%	0.771	S	S	*	*			trans	-80.8	85	-177.1	-87.2	-70.6	0	0	0	113.1	R301	N299-R301 PolarHBondContact O-N 3.18Å
300	H	30.9	Very low	29.3	Very low	185 Å²	185	136.6 Å²	136.6	86%	0.856	76%	0.762	S	S	*	*			trans	-88.2	98.5	162.7	-94.2	-83.3	0	0	0	111.1	L298 S302	L298-H300 PolarHBondContact O-N 2.91Å; L298-H300 VanDerWaalsContact O-N 3.12Å; H300-S302 PolarHBondContact O-N 3.08Å
301	R	28.3	Very low	29.7	Very low	227 Å²	227	139.1 Å²	139.1	86%	0.857	76%	0.763	S	S	*	*			trans	-71.2	102.9	168.9	-93.4	-178.4	163.1	-169.9	-7.8	110.5	N299	N299-R301 PolarHBondContact O-N 3.18Å
302	S	30.7	Very low	29.9	Very low	82 Å²	82	138 Å²	138	57%	0.573	75%	0.754	S	S	*	*			trans	-72.8	145	154.6	62.8	0	0	0	0	109.6	H300 N304	H300-S302 PolarHBondContact O-N 3.08Å; S302-N304 VanDerWaalsContact C-N 3.25Å; S302-N304 WeakPolarHBondContact CB-OD1 3.47Å; S302-N304 PolarHBondContact O-N 2.76Å; S302-N304 VanDerWaalsContact O-N 3.09Å; S302-N304 PolarHBondContact OG-OD1 3.37Å
303	V	27	Very low	30.4	Very low	151 Å²	151	134.6 Å²	134.6	92%	0.915	75%	0.75	S	S	*	*			trans	-85.4	74.8	172.2	-174.9	0	0	0	0	108
304	N	27.1	Very low	31.1	Very low	127 Å²	127	133.6 Å²	133.6	68%	0.679	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-70	143.7	172.2	-71.9	9.2	0	0	0	109.6	S302	S302-N304 VanDerWaalsContact C-N 3.25Å; S302-N304 WeakPolarHBondContact CB-OD1 3.47Å; S302-N304 PolarHBondContact O-N 2.76Å; S302-N304 VanDerWaalsContact O-N 3.09Å; S302-N304 PolarHBondContact OG-OD1 3.37Å
305	A	29.1	Very low	32	Very low	96 Å²	96	129.5 Å²	129.5	79%	0.793	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-55.6	145.5	167.5	0	0	0	0	0	109.9	S307	A305-S307 PolarHBondContact O-N 2.99Å; A305-S307 VanDerWaalsContact O-N 3.1Å
306	A	28.1	Very low	33.2	Very low	91 Å²	91	129.1 Å²	129.1	75%	0.752	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-52.4	118.4	-170.7	0	0	0	0	0	111.8	F308	A306-F308 PolarHBondContact O-N 2.86Å
307	S	29.4	Very low	34.7	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	71%	0.714	S	S	*	*			trans	-66.3	101.6	173.5	51.2	0	0	0	0	109	A305 S309	A305-S307 PolarHBondContact O-N 2.99Å; A305-S307 VanDerWaalsContact O-N 3.1Å; S307-S309 PolarHBondContact O-N 3.15Å
308	F	30	Very low	36.7	Very low	179 Å²	179	124.3 Å²	124.3	79%	0.785	69%	0.69	S	S	*	*			trans	-64.9	82.5	166.5	-107.5	-99.7	0	0	0	109	A306	A306-F308 PolarHBondContact O-N 2.86Å
309	S	28.8	Very low	39	Very low	89 Å²	89	119 Å²	119	62%	0.622	67%	0.667	S	S	*	*			trans	-65	130.7	158	45.6	0	0	0	0	108.1	S307 E311	S307-S309 PolarHBondContact O-N 3.15Å; S309-E311 PolarHBondContact O-N 3.12Å
310	M	29.8	Very low	41.6	Very low	151 Å²	151	117 Å²	117	74%	0.744	65%	0.648	S	S	*	*			trans	-69.8	93.6	-176.4	-76.3	172	54.7	0	0	111.9	T312	M310-T312 HydrophobicContact CB-CG2 4.32Å; M310-T312 HydrophobicContact CE-CG2 4.29Å; M310-T312 WeakPolarHBondContact CE-OG1 3.14Å; M310-T312 HydrophobicContact CG-CG2 4.43Å; M310-T312 PolarHBondContact O-N 3.43Å
311	E	33.2	Very low	44.2	Very low	154 Å²	154	113.7 Å²	113.7	72%	0.72	63%	0.633	S	S	*	*			trans	-82.3	42	160.3	-64.5	-171.4	154.2	0	0	110.9	S309	S309-E311 PolarHBondContact O-N 3.12Å
312	T	39.6	Very low	46.9	Very low	75 Å²	75	104.6 Å²	104.6	46%	0.46	60%	0.603	S	S	.	*			trans	-78.4	-22.5	-177	43.2	0	0	0	0	113.5	M310	M310-T312 HydrophobicContact CB-CG2 4.32Å; M310-T312 HydrophobicContact CE-CG2 4.29Å; M310-T312 WeakPolarHBondContact CE-OG1 3.14Å; M310-T312 HydrophobicContact CG-CG2 4.43Å; M310-T312 PolarHBondContact O-N 3.43Å
313	D	39.3	Very low	49.6	Very low	128 Å²	128	101.2 Å²	101.2	68%	0.684	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-94	-12.4	-159.6	-59.8	7	0	0	0	112.9	H315	D313-H315 VanDerWaalsContact C-N 3.33Å; D313-H315 PolarHBondContact O-N 3.44Å
314	L	43.7	Very low	52.5	Low	113 Å²	113	94.4 Å²	94.4	59%	0.592	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-72.5	-22.2	176	-109.5	77.5	0	0	0	113.6
315	H	51	Low	55.4	Low	61 Å²	61	89.1 Å²	89.1	28%	0.282	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-85.4	-10.1	-168.7	-78.6	-15.6	0	0	0	115.7	D313	D313-H315 VanDerWaalsContact C-N 3.33Å; D313-H315 PolarHBondContact O-N 3.44Å
316	D	52.7	Low	58.2	Low	130 Å²	130	84.6 Å²	84.6	70%	0.695	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-95	-4.8	176.9	-75.8	1.1	0	0	0	113.3	K151	K151-D316 IonicContact NZ-OD1 3.73Å; K151-D316 PolarHBondContact NZ-OD1 3.01Å
317	A	60.7	Low	61.1	Low	95 Å²	95	80.7 Å²	80.7	79%	0.785	44%	0.437	S	S	*	.	S	Bend	trans	-94.6	-9.2	174.2	0	0	0	0	0	114.2
318	L	70.2	Confident	64	Low	38 Å²	38	79.5 Å²	79.5	20%	0.199	42%	0.416	C	S	.	.	S	Bend	trans	-89.5	135.8	-174.9	-74.6	161.1	0	0	0	111.9	P187 A188 T322 V323	P187-L318 HydrophobicContact CG-CD1 3.71Å; P187-L318 HydrophobicContact CG-CD2 4.28Å; A188-L318 HydrophobicContact CB-CD2 3.85Å; L318-T322 HydrophobicContact CD2-CG2 4.27Å; L318-V323 HydrophobicContact CB-CG2 4.02Å
319	S	80.4	Confident	66.8	Low	54 Å²	54	71.6 Å²	71.6	38%	0.378	38%	0.381	S	S	.	.			trans	-65.6	146.8	177.3	66.4	0	0	0	0	112.4	E321 T322 V323	S319-E321 PolarHBondContact O-N 3.45Å; S319-T322 PolarHBondContact O-N 3.1Å; S319-T322 WeakPolarHBondContact OG-CB 3.37Å; S319-T322 PolarHBondContact OG-N 2.68Å; S319-T322 PolarHBondContact OG-OG1 2.79Å; S319-V323 PolarHBondContact O-N 3.39Å; S319-V323 VanDerWaalsContact O-N 3.13Å
320	Y	83.6	Confident	69.8	Low	122 Å²	122	67.5 Å²	67.5	48%	0.478	35%	0.352	S	S	.	.	H	α-helix	trans	-53.1	-40.1	177	175.7	-96.3	0	0	0	111.2	W147 T322 V323 M324	W147-Y320 HydrophobicContact CD2-CE2 4.47Å; W147-Y320 AromaticContact CE3-CD2 3.8Å; W147-Y320 HydrophobicContact CE3-CD2 3.8Å; W147-Y320 AromaticContact CE3-CE2 3.61Å; W147-Y320 HydrophobicContact CE3-CE2 3.61Å; W147-Y320 AromaticContact CH2-CD2 3.78Å; W147-Y320 HydrophobicContact CH2-CD2 3.78Å; W147-Y320 HydrophobicContact CH2-CE2 4.44Å; W147-Y320 AromaticContact CZ3-CD2 3.31Å; W147-Y320 HydrophobicContact CZ3-CD2 3.31Å; W147-Y320 AromaticContact CZ3-CE2 3.61Å; W147-Y320 HydrophobicContact CZ3-CE2 3.61Å; W147-Y320 HydrophobicContact CZ3-CG 4.33Å; Y320-T322 PolarHBondContact O-N 3.05Å; Y320-V323 PolarHBondContact O-N 2.78Å; Y320-M324 HydrophobicContact CD1-CG 4.16Å; Y320-M324 HydrophobicContact CD2-CG 4.22Å; Y320-M324 HydrophobicContact CE1-CG 3.76Å; Y320-M324 HydrophobicContact CE2-CG 3.83Å; Y320-M324 HydrophobicContact CE2-SD 4.33Å; Y320-M324 HydrophobicContact CG-CG 4.36Å; Y320-M324 VanDerWaalsContact O-CB 3.28Å; Y320-M324 WeakPolarHBondContact O-CB 3.29Å; Y320-M324 VanDerWaalsContact O-CG 3.24Å; Y320-M324 WeakPolarHBondContact O-CG 2.97Å; Y320-M324 PolarHBondContact O-N 2.63Å
321	E	84.6	Confident	72.7	Confident	117 Å²	117	63.5 Å²	63.5	55%	0.547	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-42.7	178.4	-65.2	62.4	-135.1	0	0	111.7	S319 F325	S319-E321 PolarHBondContact O-N 3.45Å; E321-F325 WeakPolarHBondContact O-CB 3.08Å; E321-F325 PolarHBondContact O-N 2.82Å
322	T	86.1	Confident	75.4	Confident	35 Å²	35	59 Å²	59	22%	0.215	31%	0.31	C	S	.	.	H	α-helix	trans	-68.4	-46.8	179.9	-58	0	0	0	0	111.1	P187 A188 L318 S319 Y320 M324 F325 A326	P187-T322 HydrophobicContact CB-CG2 4.18Å; P187-T322 HydrophobicContact CG-CG2 4.28Å; A188-T322 HydrophobicContact CB-CG2 4.31Å; L318-T322 HydrophobicContact CD2-CG2 4.27Å; S319-T322 PolarHBondContact O-N 3.1Å; S319-T322 WeakPolarHBondContact OG-CB 3.37Å; S319-T322 PolarHBondContact OG-N 2.68Å; S319-T322 PolarHBondContact OG-OG1 2.79Å; Y320-T322 PolarHBondContact O-N 3.05Å; T322-M324 PolarHBondContact O-N 3.18Å; T322-F325 PolarHBondContact O-N 3.39Å; T322-A326 PolarHBondContact O-N 3.01Å; T322-A326 VanDerWaalsContact O-N 3.09Å
323	V	87.9	Confident	77.8	Confident	12 Å²	12	55.9 Å²	55.9	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-45.3	176.8	176.9	0	0	0	0	110.6	W147 A150 L318 S319 Y320 H327	W147-V323 HydrophobicContact CH2-CB 4.33Å; W147-V323 HydrophobicContact CH2-CG1 4.17Å; W147-V323 HydrophobicContact CZ3-CB 4.22Å; W147-V323 HydrophobicContact CZ3-CG1 3.9Å; A150-V323 HydrophobicContact CB-CG1 4.09Å; L318-V323 HydrophobicContact CB-CG2 4.02Å; S319-V323 PolarHBondContact O-N 3.39Å; S319-V323 VanDerWaalsContact O-N 3.13Å; Y320-V323 PolarHBondContact O-N 2.78Å; V323-H327 VanDerWaalsContact O-CB 3.31Å; V323-H327 WeakPolarHBondContact O-CB 3.43Å; V323-H327 PolarHBondContact O-N 2.98Å
324	M	88.4	Confident	80.3	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-30.9	179.2	-69.7	-56.8	-61.5	0	0	113.3	W147 A150 Y320 T322 R328	W147-M324 HydrophobicContact CE3-SD 4.2Å; W147-M324 HydrophobicContact CZ3-CG 4.43Å; W147-M324 HydrophobicContact CZ3-SD 4.38Å; A150-M324 HydrophobicContact CB-SD 3.55Å; A150-M324 VanDerWaalsContact CB-SD 3.55Å; Y320-M324 HydrophobicContact CD1-CG 4.16Å; Y320-M324 HydrophobicContact CD2-CG 4.22Å; Y320-M324 HydrophobicContact CE1-CG 3.76Å; Y320-M324 HydrophobicContact CE2-CG 3.83Å; Y320-M324 HydrophobicContact CE2-SD 4.33Å; Y320-M324 HydrophobicContact CG-CG 4.36Å; Y320-M324 VanDerWaalsContact O-CB 3.28Å; Y320-M324 WeakPolarHBondContact O-CB 3.29Å; Y320-M324 VanDerWaalsContact O-CG 3.24Å; Y320-M324 WeakPolarHBondContact O-CG 2.97Å; Y320-M324 PolarHBondContact O-N 2.63Å; T322-M324 PolarHBondContact O-N 3.18Å; M324-R328 WeakPolarHBondContact O-CB 3.5Å; M324-R328 WeakPolarHBondContact O-CG 3.25Å; M324-R328 PolarHBondContact O-N 2.74Å
325	F	87.3	Confident	82.6	Confident	15 Å²	15	48.4 Å²	48.4	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-51.8	172.4	175.4	-93.6	0	0	0	111	L190 P191 L194 E321 T322 H327 R328 F329 A724 L725	L190-F325 HydrophobicContact CD2-CD1 4.28Å; L190-F325 HydrophobicContact CD2-CE1 4.09Å; L190-F325 HydrophobicContact CG-CE1 4.32Å; P191-F325 HydrophobicContact CG-CD1 4.15Å; P191-F325 HydrophobicContact CG-CE1 3.86Å; L194-F325 HydrophobicContact CD1-CE1 3.76Å; L194-F325 HydrophobicContact CD1-CZ 3.64Å; E321-F325 WeakPolarHBondContact O-CB 3.08Å; E321-F325 PolarHBondContact O-N 2.82Å; T322-F325 PolarHBondContact O-N 3.39Å; F325-H327 PolarHBondContact O-N 3.5Å; F325-R328 PolarHBondContact O-N 3.1Å; F325-F329 PolarHBondContact O-N 2.97Å; F325-A724 HydrophobicContact CD2-CB 4.28Å; F325-A724 HydrophobicContact CE2-CB 3.76Å; F325-L725 HydrophobicContact CE2-CD2 4.38Å
326	A	88	Confident	84.4	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-61.8	-43.5	178	0	0	0	0	0	112	P187 L190 T322 R328 F329 Y330	P187-A326 HydrophobicContact CB-CB 3.44Å; P187-A326 VanDerWaalsContact CB-CB 3.44Å; L190-A326 HydrophobicContact CD2-CB 3.89Å; T322-A326 PolarHBondContact O-N 3.01Å; T322-A326 VanDerWaalsContact O-N 3.09Å; A326-R328 PolarHBondContact O-N 3.11Å; A326-F329 PolarHBondContact O-N 2.87Å; A326-Y330 HydrophobicContact CB-CD2 4.43Å; A326-Y330 HydrophobicContact CB-CE2 4Å; A326-Y330 WeakPolarHBondContact O-CD2 3.41Å; A326-Y330 PolarHBondContact O-N 2.59Å
327	H	89.4	Confident	86.3	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-55.5	-46.9	172.3	165.6	95.9	0	0	0	112.4	E139 A150 V323 F325 K331	E139-H327 IonicContact OE1-CE1 3.19Å; E139-H327 PolarHBondContact OE1-CE1 2.86Å; E139-H327 IonicContact OE1-ND1 2.77Å; E139-H327 IonicContact OE1-NE2 2.58Å; A150-H327 HydrophobicContact CB-CB 3.89Å; V323-H327 VanDerWaalsContact O-CB 3.31Å; V323-H327 WeakPolarHBondContact O-CB 3.43Å; V323-H327 PolarHBondContact O-N 2.98Å; F325-H327 PolarHBondContact O-N 3.5Å; H327-K331 WeakPolarHBondContact O-CB 3.37Å; H327-K331 PolarHBondContact O-N 3.11Å
328	R	89.6	Confident	87.8	Confident	82 Å²	82	41.3 Å²	41.3	31%	0.309	20%	0.199	S	C	.	.	H	α-helix	trans	-60.8	-44.3	176.1	-73.5	169.5	-165.5	-174.1	8.5	111.6	M324 F325 A326 Q332 S727	M324-R328 WeakPolarHBondContact O-CB 3.5Å; M324-R328 WeakPolarHBondContact O-CG 3.25Å; M324-R328 PolarHBondContact O-N 2.74Å; F325-R328 PolarHBondContact O-N 3.1Å; A326-R328 PolarHBondContact O-N 3.11Å; R328-Q332 WeakPolarHBondContact O-CB 3.39Å; R328-Q332 WeakPolarHBondContact O-CG 3.22Å; R328-Q332 PolarHBondContact O-N 2.89Å; R328-S727 VanDerWaalsContact NH1-CB 3.32Å; R328-S727 PolarHBondContact NH1-O 3.14Å; R328-S727 PolarHBondContact NH1-OG 3.5Å
329	F	89.3	Confident	88.9	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.057	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-56	178.4	173.2	-99.3	0	0	0	112.2	F181 L190 L194 F325 A326 K331 Q332 L333 F717	F181-F329 HydrophobicContact CB-CE1 4.08Å; F181-F329 HydrophobicContact CB-CZ 4.34Å; F181-F329 HydrophobicContact CD2-CZ 4.36Å; F181-F329 HydrophobicContact CG-CZ 4.37Å; L190-F329 HydrophobicContact CD1-CD1 4.01Å; L190-F329 HydrophobicContact CD1-CE1 3.85Å; L190-F329 HydrophobicContact CD1-CZ 4.36Å; L190-F329 HydrophobicContact CD2-CB 3.99Å; L190-F329 HydrophobicContact CD2-CD1 3.67Å; L190-F329 HydrophobicContact CD2-CE1 4.38Å; L190-F329 HydrophobicContact CD2-CG 3.93Å; L190-F329 HydrophobicContact CG-CD1 4.45Å; L194-F329 HydrophobicContact CD2-CD2 4.22Å; L194-F329 HydrophobicContact CD2-CE2 3.61Å; L194-F329 HydrophobicContact CD2-CZ 3.84Å; F325-F329 PolarHBondContact O-N 2.97Å; A326-F329 PolarHBondContact O-N 2.87Å; F329-K331 VanDerWaalsContact C-N 3.31Å; F329-K331 PolarHBondContact O-N 3.38Å; F329-Q332 PolarHBondContact O-N 3.48Å; F329-Q332 VanDerWaalsContact O-N 3.1Å; F329-L333 HydrophobicContact CE1-CD2 3.98Å; F329-L333 HydrophobicContact CZ-CD2 4.12Å; F329-L333 WeakPolarHBondContact O-CB 3.29Å; F329-L333 PolarHBondContact O-N 3.43Å; F329-F717 HydrophobicContact CE2-CE2 4.34Å; F329-F717 HydrophobicContact CZ-CE2 4.44Å
330	Y	91.2	Very high	89.4	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-36.3	-178.1	-61.6	-58.3	0	0	0	112.5	R156 L159 F181 L190 A326 Q332 L333 Y334	R156-Y330 HydrophobicContact CB-CD1 4.11Å; R156-Y330 HydrophobicContact CB-CD2 3.66Å; R156-Y330 HydrophobicContact CB-CE1 4.25Å; R156-Y330 HydrophobicContact CB-CE2 3.8Å; R156-Y330 HydrophobicContact CB-CG 3.84Å; R156-Y330 HydrophobicContact CG-CD1 4.05Å; R156-Y330 HydrophobicContact CG-CD2 4.19Å; R156-Y330 HydrophobicContact CG-CE1 3.77Å; R156-Y330 HydrophobicContact CG-CE2 3.91Å; R156-Y330 HydrophobicContact CG-CG 4.28Å; L159-Y330 HydrophobicContact CD1-CD1 3.95Å; L159-Y330 HydrophobicContact CD1-CG 4.42Å; F181-Y330 WeakPolarHBondContact O-CE1 3.33Å; F181-Y330 PolarHBondContact O-OH 3.36Å; L190-Y330 HydrophobicContact CD2-CE2 4.38Å; A326-Y330 HydrophobicContact CB-CD2 4.43Å; A326-Y330 HydrophobicContact CB-CE2 4Å; A326-Y330 WeakPolarHBondContact O-CD2 3.41Å; A326-Y330 PolarHBondContact O-N 2.59Å; Y330-Q332 VanDerWaalsContact C-N 3.34Å; Y330-Q332 PolarHBondContact O-N 2.66Å; Y330-L333 PolarHBondContact O-N 3.17Å; Y330-Y334 PolarHBondContact O-N 3.22Å; Y330-Y334 VanDerWaalsContact O-N 3.14Å
331	K	90.9	Very high	89.8	Confident	66 Å²	66	41 Å²	41	29%	0.287	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-35.1	173.9	-177.1	175.5	175.9	-179.1	0	112.9	E139 W155 H327 F329 P335	E139-K331 VanDerWaalsContact OE2-CE 3.29Å; E139-K331 WeakPolarHBondContact OE2-CE 3.22Å; E139-K331 IonicContact OE2-NZ 3.05Å; E139-K331 PolarHBondContact OE2-NZ 3.39Å; W155-K331 HydrophobicContact CD2-CB 4.2Å; W155-K331 HydrophobicContact CD2-CG 4.33Å; W155-K331 HydrophobicContact CG-CB 4.01Å; W155-K331 HydrophobicContact CZ2-CG 4.22Å; H327-K331 WeakPolarHBondContact O-CB 3.37Å; H327-K331 PolarHBondContact O-N 3.11Å; F329-K331 VanDerWaalsContact C-N 3.31Å; F329-K331 PolarHBondContact O-N 3.38Å; K331-P335 WeakPolarHBondContact O-CD 3.43Å
332	Q	89.8	Confident	90.2	Very high	60 Å²	60	38.2 Å²	38.2	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-78.5	-31.9	174.4	-72.3	179.9	11.2	0	0	112.8	R328 F329 Y330 P335 R336	R328-Q332 WeakPolarHBondContact O-CB 3.39Å; R328-Q332 WeakPolarHBondContact O-CG 3.22Å; R328-Q332 PolarHBondContact O-N 2.89Å; F329-Q332 PolarHBondContact O-N 3.48Å; F329-Q332 VanDerWaalsContact O-N 3.1Å; Y330-Q332 VanDerWaalsContact C-N 3.34Å; Y330-Q332 PolarHBondContact O-N 2.66Å; Q332-P335 WeakPolarHBondContact O-CD 3.42Å; Q332-P335 WeakPolarHBondContact O-CG 3.43Å; Q332-R336 WeakPolarHBondContact O-CD 3.39Å; Q332-R336 WeakPolarHBondContact O-CG 3.41Å
333	L	89.9	Confident	90.6	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-68.2	-40.1	179.6	-178.2	57.9	0	0	0	112.4	L159 W178 I182 F329 Y330 R336 I337	L159-L333 HydrophobicContact CD1-CB 4.42Å; L159-L333 HydrophobicContact CD1-CD2 4.1Å; L159-L333 HydrophobicContact CD1-CG 4.36Å; W178-L333 HydrophobicContact CD2-CD1 4.03Å; W178-L333 HydrophobicContact CE3-CD1 4.49Å; W178-L333 HydrophobicContact CG-CD1 4.23Å; I182-L333 HydrophobicContact CD1-CD2 4.5Å; I182-L333 HydrophobicContact CG1-CD2 4.47Å; F329-L333 HydrophobicContact CE1-CD2 3.98Å; F329-L333 HydrophobicContact CZ-CD2 4.12Å; F329-L333 WeakPolarHBondContact O-CB 3.29Å; F329-L333 PolarHBondContact O-N 3.43Å; Y330-L333 PolarHBondContact O-N 3.17Å; L333-R336 WeakPolarHBondContact O-CB 3.39Å; L333-R336 PolarHBondContact O-N 2.98Å; L333-R336 VanDerWaalsContact O-N 3.11Å; L333-I337 HydrophobicContact CD1-CD1 4.14Å; L333-I337 HydrophobicContact CD1-CG1 4.18Å; L333-I337 HydrophobicContact CD2-CD1 4.46Å; L333-I337 HydrophobicContact CG-CD1 3.81Å; L333-I337 HydrophobicContact CG-CG1 4.35Å; L333-I337 PolarHBondContact O-N 3.04Å
334	Y	92	Very high	90.8	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.078	19%	0.19	C	C	.	.	H	α-helix	trans	-54.1	-54.9	-179.6	-170.5	-80.3	0	0	0	114.4	A132 W155 L158 L159 R162 W169 Y330 R336 I337 I338	A132-Y334 HydrophobicContact CB-CD1 4.27Å; A132-Y334 HydrophobicContact CB-CE1 3.51Å; A132-Y334 HydrophobicContact CB-CE2 4.4Å; W155-Y334 HydrophobicContact CE3-CD2 4.2Å; W155-Y334 HydrophobicContact CE3-CG 4Å; W155-Y334 AromaticContact CZ3-CD1 3.94Å; W155-Y334 HydrophobicContact CZ3-CD1 3.94Å; W155-Y334 HydrophobicContact CZ3-CD2 4.15Å; W155-Y334 AromaticContact CZ3-CG 3.75Å; W155-Y334 HydrophobicContact CZ3-CG 3.75Å; L158-Y334 HydrophobicContact CD2-CD2 4.32Å; L158-Y334 HydrophobicContact CD2-CE2 3.88Å; L158-Y334 HydrophobicContact CG-CD2 4.48Å; L158-Y334 HydrophobicContact CG-CE2 3.95Å; L159-Y334 HydrophobicContact CD2-CD2 3.67Å; L159-Y334 HydrophobicContact CD2-CG 4.33Å; L159-Y334 HydrophobicContact CG-CD2 4.16Å; R162-Y334 HydrophobicContact CG-CE2 4.5Å; R162-Y334 PolarHBondContact NH1-OH 3.07Å; W169-Y334 AromaticContact CH2-CD2 3.97Å; W169-Y334 HydrophobicContact CH2-CD2 3.97Å; W169-Y334 HydrophobicContact CH2-CE1 4.22Å; W169-Y334 AromaticContact CH2-CE2 3.5Å; W169-Y334 HydrophobicContact CH2-CE2 3.5Å; W169-Y334 VanDerWaalsContact CH2-CE2 3.5Å; W169-Y334 HydrophobicContact CH2-CG 4.5Å; W169-Y334 AromaticContact CH2-CZ 3.63Å; W169-Y334 HydrophobicContact CZ2-CE2 4.46Å; W169-Y334 HydrophobicContact CZ3-CD2 4.06Å; W169-Y334 AromaticContact CZ3-CE2 3.91Å; W169-Y334 HydrophobicContact CZ3-CE2 3.91Å; Y330-Y334 PolarHBondContact O-N 3.22Å; Y330-Y334 VanDerWaalsContact O-N 3.14Å; Y334-R336 PolarHBondContact O-N 3.25Å; Y334-I337 PolarHBondContact O-N 2.96Å; Y334-I338 HydrophobicContact CD1-CG1 4.18Å; Y334-I338 HydrophobicContact CE1-CD1 4.21Å; Y334-I338 HydrophobicContact CE1-CG1 3.89Å; Y334-I338 WeakPolarHBondContact O-CG1 3.38Å; Y334-I338 PolarHBondContact O-N 3.1Å; Y334-I338 VanDerWaalsContact O-N 3.13Å
335	P	92.4	Very high	91	Very high	64 Å²	64	43.2 Å²	43.2	42%	0.416	20%	0.202	S	C	.	.	H	α-helix	trans	-68.4	-20	177.7	28.1	-35.9	0	0	0	113.6	K331 Q332 R339	K331-P335 WeakPolarHBondContact O-CD 3.43Å; Q332-P335 WeakPolarHBondContact O-CD 3.42Å; Q332-P335 WeakPolarHBondContact O-CG 3.43Å; P335-R339 WeakPolarHBondContact O-CB 3.07Å; P335-R339 PolarHBondContact O-N 2.83Å
336	R	89	Confident	91.3	Very high	60 Å²	60	45.4 Å²	45.4	23%	0.226	21%	0.214	C	C	.	.	H	α-helix	trans	-73.1	-43.2	173.1	-70.7	170.7	169.4	-162.7	-9.1	111.5	Q332 L333 Y334 I338 R339 D340 G716 D719 G720	Q332-R336 WeakPolarHBondContact O-CD 3.39Å; Q332-R336 WeakPolarHBondContact O-CG 3.41Å; L333-R336 WeakPolarHBondContact O-CB 3.39Å; L333-R336 PolarHBondContact O-N 2.98Å; L333-R336 VanDerWaalsContact O-N 3.11Å; Y334-R336 PolarHBondContact O-N 3.25Å; R336-I338 VanDerWaalsContact C-N 3.34Å; R336-I338 PolarHBondContact O-N 2.88Å; R336-R339 PolarHBondContact O-N 2.86Å; R336-D340 WeakPolarHBondContact O-CB 3.36Å; R336-D340 PolarHBondContact O-N 3.19Å; R336-G716 PolarHBondContact NH1-O 2.92Å; R336-D719 VanDerWaalsContact NH2-C 3.27Å; R336-D719 PolarHBondContact NH2-O 2.61Å; R336-G720 VanDerWaalsContact NH2-CA 3.31Å; R336-G720 VanDerWaalsContact NH2-N 3.11Å
337	I	90.9	Very high	91.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-46.7	172.2	-65.8	159.4	0	0	0	110.2	L159 W169 W178 L333 Y334 R339 D340 I341	L159-I337 HydrophobicContact CD2-CD1 3.47Å; L159-I337 VanDerWaalsContact CD2-CD1 3.47Å; W169-I337 HydrophobicContact CD2-CG2 3.99Å; W169-I337 HydrophobicContact CE3-CB 4.38Å; W169-I337 HydrophobicContact CE3-CD1 4.37Å; W169-I337 HydrophobicContact CE3-CG2 3.5Å; W169-I337 HydrophobicContact CH2-CG2 4.1Å; W169-I337 HydrophobicContact CZ3-CB 4Å; W169-I337 HydrophobicContact CZ3-CD1 4.15Å; W169-I337 HydrophobicContact CZ3-CG2 3.54Å; W178-I337 HydrophobicContact CE3-CD1 4.27Å; W178-I337 HydrophobicContact CE3-CG1 3.63Å; W178-I337 HydrophobicContact CH2-CG1 4.33Å; W178-I337 HydrophobicContact CZ3-CB 4.37Å; W178-I337 HydrophobicContact CZ3-CG1 3.51Å; L333-I337 HydrophobicContact CD1-CD1 4.14Å; L333-I337 HydrophobicContact CD1-CG1 4.18Å; L333-I337 HydrophobicContact CD2-CD1 4.46Å; L333-I337 HydrophobicContact CG-CD1 3.81Å; L333-I337 HydrophobicContact CG-CG1 4.35Å; L333-I337 PolarHBondContact O-N 3.04Å; Y334-I337 PolarHBondContact O-N 2.96Å; I337-R339 VanDerWaalsContact C-N 3.34Å; I337-R339 PolarHBondContact O-N 3.49Å; I337-D340 PolarHBondContact O-N 2.8Å; I337-D340 VanDerWaalsContact O-N 3.15Å; I337-I341 HydrophobicContact CG2-CD1 3.8Å; I337-I341 HydrophobicContact CG2-CG1 4.26Å; I337-I341 WeakPolarHBondContact O-CG1 3.41Å; I337-I341 PolarHBondContact O-N 3.13Å
338	I	93	Very high	91.8	Very high	78 Å²	78	45.4 Å²	45.4	40%	0.4	21%	0.214	S	C	.	.	H	α-helix	trans	-55.5	-47	175.4	-66.3	-70.9	0	0	0	111.8	W169 Y334 R336 D340 I341 A342	W169-I338 HydrophobicContact CH2-CD1 3.73Å; W169-I338 HydrophobicContact CH2-CG1 4.09Å; W169-I338 HydrophobicContact CZ2-CD1 3.49Å; W169-I338 VanDerWaalsContact CZ2-CD1 3.49Å; W169-I338 HydrophobicContact CZ2-CG1 4.33Å; Y334-I338 HydrophobicContact CD1-CG1 4.18Å; Y334-I338 HydrophobicContact CE1-CD1 4.21Å; Y334-I338 HydrophobicContact CE1-CG1 3.89Å; Y334-I338 WeakPolarHBondContact O-CG1 3.38Å; Y334-I338 PolarHBondContact O-N 3.1Å; Y334-I338 VanDerWaalsContact O-N 3.13Å; R336-I338 VanDerWaalsContact C-N 3.34Å; R336-I338 PolarHBondContact O-N 2.88Å; I338-D340 VanDerWaalsContact C-N 3.31Å; I338-D340 PolarHBondContact O-N 2.63Å; I338-I341 PolarHBondContact O-N 3.42Å; I338-A342 WeakPolarHBondContact O-CB 3.42Å; I338-A342 PolarHBondContact O-N 3.43Å
339	R	93.1	Very high	91.9	Very high	169 Å²	169	44.8 Å²	44.8	64%	0.638	22%	0.219	S	C	*	.	H	α-helix	trans	-62.8	-38	178.4	-171	-172.3	-59	152.9	0.6	112.1	P335 R336 I337 A342 R343	P335-R339 WeakPolarHBondContact O-CB 3.07Å; P335-R339 PolarHBondContact O-N 2.83Å; R336-R339 PolarHBondContact O-N 2.86Å; I337-R339 VanDerWaalsContact C-N 3.34Å; I337-R339 PolarHBondContact O-N 3.49Å; R339-A342 PolarHBondContact O-N 3.11Å; R339-R343 PolarHBondContact O-N 3.28Å
340	D	90.9	Very high	92	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-77.5	-35	-178	-154.8	50.2	0	0	0	112.3	L172 R176 W178 R336 I337 I338 A342 R343 V344	L172-D340 HydrophobicContact CD2-CB 4.05Å; R176-D340 IonicContact CZ-OD1 3.32Å; R176-D340 IonicContact CZ-OD2 3.91Å; R176-D340 IonicContact NE-OD2 2.66Å; R176-D340 PolarHBondContact NE-OD2 2.88Å; R176-D340 IonicContact NH2-OD1 2.89Å; R176-D340 PolarHBondContact NH2-OD1 2.89Å; R176-D340 IonicContact NH2-OD2 2.82Å; R176-D340 PolarHBondContact NH2-OD2 3Å; W178-D340 HydrophobicContact CH2-CB 4.5Å; R336-D340 WeakPolarHBondContact O-CB 3.36Å; R336-D340 PolarHBondContact O-N 3.19Å; I337-D340 PolarHBondContact O-N 2.8Å; I337-D340 VanDerWaalsContact O-N 3.15Å; I338-D340 VanDerWaalsContact C-N 3.31Å; I338-D340 PolarHBondContact O-N 2.63Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact O-N 3.02Å; D340-R343 VanDerWaalsContact O-CB 3.32Å; D340-R343 WeakPolarHBondContact O-CB 3.48Å; D340-R343 PolarHBondContact O-N 3.18Å; D340-R343 IonicContact OD1-CZ 2.84Å; D340-R343 VanDerWaalsContact OD1-CZ 3.27Å; D340-R343 IonicContact OD1-NE 3.63Å; D340-R343 PolarHBondContact OD1-NE 2.77Å; D340-R343 IonicContact OD1-NH2 2.77Å; D340-R343 PolarHBondContact OD1-NH2 3Å; D340-V344 WeakPolarHBondContact O-CG2 3.28Å; D340-V344 PolarHBondContact O-N 2.82Å
341	I	92.6	Very high	91.9	Very high	34 Å²	34	51.7 Å²	51.7	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-44	166.5	-66.9	173.3	0	0	0	110.5	V168 W169 L172 I337 I338 R343 V344 E345	V168-I341 HydrophobicContact CG1-CD1 4.24Å; V168-I341 HydrophobicContact CG1-CG1 4.07Å; V168-I341 HydrophobicContact CG1-CG2 4.07Å; W169-I341 HydrophobicContact CD2-CD1 4.06Å; W169-I341 HydrophobicContact CG-CD1 4.1Å; W169-I341 HydrophobicContact CZ2-CD1 4.29Å; L172-I341 HydrophobicContact CD2-CG1 3.52Å; I337-I341 HydrophobicContact CG2-CD1 3.8Å; I337-I341 HydrophobicContact CG2-CG1 4.26Å; I337-I341 WeakPolarHBondContact O-CG1 3.41Å; I337-I341 PolarHBondContact O-N 3.13Å; I338-I341 PolarHBondContact O-N 3.42Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 2.87Å; I341-V344 PolarHBondContact O-N 2.97Å; I341-E345 PolarHBondContact O-N 2.97Å; I341-E345 VanDerWaalsContact O-N 3.08Å
342	A	93.6	Very high	92	Very high	58 Å²	58	52.6 Å²	52.6	48%	0.479	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-37.4	175.4	0	0	0	0	0	112.3	I338 R339 D340 E345 D346	I338-A342 WeakPolarHBondContact O-CB 3.42Å; I338-A342 PolarHBondContact O-N 3.43Å; R339-A342 PolarHBondContact O-N 3.11Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact O-N 3.02Å; A342-E345 PolarHBondContact O-N 3.16Å; A342-D346 WeakPolarHBondContact O-CB 3.2Å; A342-D346 PolarHBondContact O-N 3.44Å
343	R	92.7	Very high	92.1	Very high	92 Å²	92	52 Å²	52	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-43.8	172.8	-156.4	-157.5	-47.5	-128.2	8.1	111.5	R339 D340 I341 D346 N347	R339-R343 PolarHBondContact O-N 3.28Å; D340-R343 VanDerWaalsContact O-CB 3.32Å; D340-R343 WeakPolarHBondContact O-CB 3.48Å; D340-R343 PolarHBondContact O-N 3.18Å; D340-R343 IonicContact OD1-CZ 2.84Å; D340-R343 VanDerWaalsContact OD1-CZ 3.27Å; D340-R343 IonicContact OD1-NE 3.63Å; D340-R343 PolarHBondContact OD1-NE 2.77Å; D340-R343 IonicContact OD1-NH2 2.77Å; D340-R343 PolarHBondContact OD1-NH2 3Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 2.87Å; R343-D346 PolarHBondContact O-N 2.89Å; R343-N347 WeakPolarHBondContact O-CB 3.28Å; R343-N347 VanDerWaalsContact O-CG 3.23Å; R343-N347 PolarHBondContact O-N 2.84Å
344	V	92.8	Very high	92.1	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-44.7	177.3	175.1	0	0	0	0	111.3	D340 I341 N347 W348 F687 A704	D340-V344 WeakPolarHBondContact O-CG2 3.28Å; D340-V344 PolarHBondContact O-N 2.82Å; I341-V344 PolarHBondContact O-N 2.97Å; V344-N347 WeakPolarHBondContact O-CB 3.34Å; V344-N347 PolarHBondContact O-N 3.49Å; V344-W348 VanDerWaalsContact O-CD1 3.25Å; V344-W348 PolarHBondContact O-N 2.8Å; V344-F687 HydrophobicContact CG1-CD1 4.32Å; V344-A704 HydrophobicContact CG2-CB 4.34Å
345	E	93	Very high	92.1	Very high	62 Å²	62	55.2 Å²	55.2	29%	0.29	27%	0.265	S	S	.	.	H	α-helix	trans	-70.9	-32.5	179.1	-156.8	71.7	-120.1	0	0	112.3	I341 A342 W348 T349 K638 R639	I341-E345 PolarHBondContact O-N 2.97Å; I341-E345 VanDerWaalsContact O-N 3.08Å; A342-E345 PolarHBondContact O-N 3.16Å; E345-W348 PolarHBondContact O-N 2.88Å; E345-T349 WeakPolarHBondContact O-CG2 3.26Å; E345-T349 PolarHBondContact O-N 3.4Å; E345-T349 PolarHBondContact O-OG1 2.93Å; E345-T349 VanDerWaalsContact O-OG1 3.13Å; E345-K638 IonicContact OE2-NZ 3.2Å; E345-K638 PolarHBondContact OE2-NZ 3.28Å; E345-R639 IonicContact OE1-CZ 3.54Å; E345-R639 IonicContact OE1-NE 2.79Å; E345-R639 PolarHBondContact OE1-NE 3.39Å; E345-R639 VanDerWaalsContact OE1-NE 3.09Å; E345-R639 IonicContact OE1-NH2 2.8Å; E345-R639 PolarHBondContact OE1-NH2 2.96Å; E345-R639 IonicContact OE2-NH2 3.47Å; E345-R639 PolarHBondContact OE2-NH2 2.95Å
346	D	92.8	Very high	92.1	Very high	60 Å²	60	52.3 Å²	52.3	32%	0.321	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-43.7	170	-171.5	69.4	0	0	0	111.1	A342 R343 W348 T349 R350	A342-D346 WeakPolarHBondContact O-CB 3.2Å; A342-D346 PolarHBondContact O-N 3.44Å; R343-D346 PolarHBondContact O-N 2.89Å; D346-W348 PolarHBondContact O-N 2.77Å; D346-T349 WeakPolarHBondContact CA-OG1 3.22Å; D346-T349 PolarHBondContact O-N 3.31Å; D346-T349 PolarHBondContact O-OG1 2.79Å; D346-R350 WeakPolarHBondContact O-CB 3.45Å; D346-R350 WeakPolarHBondContact O-CG 3.42Å; D346-R350 PolarHBondContact O-N 3.48Å; D346-R350 IonicContact OD1-CZ 3.76Å; D346-R350 VanDerWaalsContact OD1-CZ 3.26Å; D346-R350 IonicContact OD1-NE 2.81Å; D346-R350 PolarHBondContact OD1-NE 3.29Å; D346-R350 IonicContact OD1-NH2 3.64Å; D346-R350 PolarHBondContact OD1-NH2 3.07Å; D346-R350 IonicContact OD2-CZ 3.48Å; D346-R350 VanDerWaalsContact OD2-CZ 3.24Å; D346-R350 IonicContact OD2-NE 2.92Å; D346-R350 PolarHBondContact OD2-NE 3.27Å; D346-R350 IonicContact OD2-NH2 3.38Å; D346-R350 PolarHBondContact OD2-NH2 2.87Å
347	N	94	Very high	92.3	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.043	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-46.5	172.6	-76.1	-8.6	0	0	0	112.2	R343 V344 T349 G351 Q352 F703	R343-N347 WeakPolarHBondContact O-CB 3.28Å; R343-N347 VanDerWaalsContact O-CG 3.23Å; R343-N347 PolarHBondContact O-N 2.84Å; V344-N347 WeakPolarHBondContact O-CB 3.34Å; V344-N347 PolarHBondContact O-N 3.49Å; N347-T349 PolarHBondContact O-N 2.86Å; N347-G351 WeakPolarHBondContact O-CA 3.18Å; N347-G351 PolarHBondContact O-N 2.93Å; N347-Q352 HydrophobicContact CB-CB 4.34Å; N347-Q352 WeakPolarHBondContact CB-O 3.46Å; N347-Q352 PolarHBondContact O-N 3.23Å; N347-F703 HydrophobicContact CB-CB 4.32Å; N347-F703 HydrophobicContact CB-CD1 4.47Å; N347-F703 PolarHBondContact ND2-O 3.18Å
348	W	93.7	Very high	92.5	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.011	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-37.1	176	-87.5	99.8	0	0	0	113.5	V344 E345 D346 R639 V641 V651 F684 D685 D686 I689 F703	V344-W348 VanDerWaalsContact O-CD1 3.25Å; V344-W348 PolarHBondContact O-N 2.8Å; E345-W348 PolarHBondContact O-N 2.88Å; D346-W348 PolarHBondContact O-N 2.77Å; W348-R639 VanDerWaalsContact CD2-CZ 3.5Å; W348-R639 VanDerWaalsContact CZ2-NH1 3.34Å; W348-V641 HydrophobicContact CZ3-CG2 4.34Å; W348-V651 HydrophobicContact CE3-CG1 4.15Å; W348-V651 HydrophobicContact CZ3-CG1 4.1Å; W348-V651 HydrophobicContact CZ3-CG2 4.21Å; W348-F684 AromaticContact CH2-CD2 3.94Å; W348-F684 HydrophobicContact CH2-CD2 3.94Å; W348-D685 WeakPolarHBondContact CZ2-O 3.41Å; W348-D686 PolarHBondContact NE1-O 2.79Å; W348-I689 HydrophobicContact CH2-CD1 3.96Å; W348-I689 HydrophobicContact CH2-CG1 3.59Å; W348-I689 HydrophobicContact CZ2-CG1 4.49Å; W348-I689 HydrophobicContact CZ3-CD1 3.92Å; W348-I689 HydrophobicContact CZ3-CG1 4.1Å; W348-F703 HydrophobicContact CB-CD1 4.46Å; W348-F703 AromaticContact CD1-CG 3.88Å; W348-F703 AromaticContact CD2-CD1 4Å; W348-F703 HydrophobicContact CD2-CD1 4Å; W348-F703 AromaticContact CD2-CD2 3.93Å; W348-F703 HydrophobicContact CD2-CD2 3.93Å; W348-F703 HydrophobicContact CD2-CE1 4.15Å; W348-F703 HydrophobicContact CD2-CE2 4.09Å; W348-F703 AromaticContact CD2-CG 3.89Å; W348-F703 HydrophobicContact CD2-CG 3.89Å; W348-F703 HydrophobicContact CD2-CZ 4.21Å; W348-F703 AromaticContact CE2-CD2 3.5Å; W348-F703 VanDerWaalsContact CE2-CD2 3.5Å; W348-F703 AromaticContact CE2-CE2 3.94Å; W348-F703 AromaticContact CE2-CG 3.73Å; W348-F703 HydrophobicContact CE3-CD1 4.49Å; W348-F703 HydrophobicContact CE3-CD2 4.38Å; W348-F703 HydrophobicContact CE3-CE1 4.19Å; W348-F703 HydrophobicContact CE3-CE2 4.08Å; W348-F703 AromaticContact CE3-CZ 3.98Å; W348-F703 HydrophobicContact CE3-CZ 3.98Å; W348-F703 HydrophobicContact CG-CB 4.3Å; W348-F703 AromaticContact CG-CD1 3.96Å; W348-F703 HydrophobicContact CG-CD1 3.96Å; W348-F703 HydrophobicContact CG-CE1 4.44Å; W348-F703 HydrophobicContact CG-CG 4.01Å; W348-F703 HydrophobicContact CH2-CD2 4.17Å; W348-F703 AromaticContact CH2-CE2 3.87Å; W348-F703 HydrophobicContact CH2-CE2 3.87Å; W348-F703 HydrophobicContact CH2-CZ 4.49Å; W348-F703 AromaticContact CZ2-CD2 3.64Å; W348-F703 HydrophobicContact CZ2-CD2 3.64Å; W348-F703 AromaticContact CZ2-CE2 3.84Å; W348-F703 HydrophobicContact CZ2-CE2 3.84Å; W348-F703 HydrophobicContact CZ2-CG 4.35Å; W348-F703 AromaticContact CZ3-CE2 3.98Å; W348-F703 HydrophobicContact CZ3-CE2 3.98Å; W348-F703 HydrophobicContact CZ3-CZ 4.13Å; W348-F703 AromaticContact NE1-CD2 3.84Å; W348-F703 AromaticContact NE1-CG 3.7Å
349	T	91.9	Very high	92.5	Very high	69 Å²	69	54.2 Å²	54.2	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-77.8	-33.3	179.7	54.4	0	0	0	0	113.1	E345 D346 N347 I669	E345-T349 WeakPolarHBondContact O-CG2 3.26Å; E345-T349 PolarHBondContact O-N 3.4Å; E345-T349 PolarHBondContact O-OG1 2.93Å; E345-T349 VanDerWaalsContact O-OG1 3.13Å; D346-T349 WeakPolarHBondContact CA-OG1 3.22Å; D346-T349 PolarHBondContact O-N 3.31Å; D346-T349 PolarHBondContact O-OG1 2.79Å; N347-T349 PolarHBondContact O-N 2.86Å; T349-I669 HydrophobicContact CG2-CG2 4.45Å
350	R	91.3	Very high	92.3	Very high	150 Å²	150	46.2 Å²	46.2	57%	0.566	23%	0.226	S	C	*	.	H	α-helix	trans	-83	-17.6	175.7	-63.7	-174.8	-163.9	-147.3	11.9	114.2	D346 Q352 H670	D346-R350 WeakPolarHBondContact O-CB 3.45Å; D346-R350 WeakPolarHBondContact O-CG 3.42Å; D346-R350 PolarHBondContact O-N 3.48Å; D346-R350 IonicContact OD1-CZ 3.76Å; D346-R350 VanDerWaalsContact OD1-CZ 3.26Å; D346-R350 IonicContact OD1-NE 2.81Å; D346-R350 PolarHBondContact OD1-NE 3.29Å; D346-R350 IonicContact OD1-NH2 3.64Å; D346-R350 PolarHBondContact OD1-NH2 3.07Å; D346-R350 IonicContact OD2-CZ 3.48Å; D346-R350 VanDerWaalsContact OD2-CZ 3.24Å; D346-R350 IonicContact OD2-NE 2.92Å; D346-R350 PolarHBondContact OD2-NE 3.27Å; D346-R350 IonicContact OD2-NH2 3.38Å; D346-R350 PolarHBondContact OD2-NH2 2.87Å; R350-Q352 HydrophobicContact CB-CG 4.07Å; R350-H670 PolarHBondContact O-CE1 3Å; R350-H670 VanDerWaalsContact O-CE1 3.24Å; R350-H670 PolarHBondContact O-ND1 3.31Å
351	G	90.4	Very high	92.2	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	33.1	-171.9	0	0	0	0	0	113.2	N347 Y353	N347-G351 WeakPolarHBondContact O-CA 3.18Å; N347-G351 PolarHBondContact O-N 2.93Å; G351-Y353 WeakPolarHBondContact O-CD1 3.34Å; G351-Y353 VanDerWaalsContact O-CE1 3.22Å; G351-Y353 WeakPolarHBondContact O-CE1 3.46Å
352	Q	91.8	Very high	91.6	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	25%	0.245	S	C	.	.			trans	-90.5	124.2	173.4	-63.8	-171.7	8.2	0	0	110.2	N347 R350 F703 A707	N347-Q352 HydrophobicContact CB-CB 4.34Å; N347-Q352 WeakPolarHBondContact CB-O 3.46Å; N347-Q352 PolarHBondContact O-N 3.23Å; R350-Q352 HydrophobicContact CB-CG 4.07Å; Q352-F703 WeakPolarHBondContact O-CD1 3.17Å; Q352-A707 HydrophobicContact CB-CB 4.46Å
353	Y	92.2	Very high	90.6	Very high	48 Å²	48	55.5 Å²	55.5	19%	0.188	26%	0.258	C	S	.	.			trans	-149.5	151.1	-177.6	53.5	-87.5	0	0	0	110.6	G351 L355 L672 Q674 W701 F703	G351-Y353 WeakPolarHBondContact O-CD1 3.34Å; G351-Y353 VanDerWaalsContact O-CE1 3.22Å; G351-Y353 WeakPolarHBondContact O-CE1 3.46Å; Y353-L355 HydrophobicContact CD2-CB 3.98Å; Y353-L355 HydrophobicContact CD2-CD1 4.3Å; Y353-L355 HydrophobicContact CE2-CB 3.98Å; Y353-L355 HydrophobicContact CE2-CD1 4.15Å; Y353-L355 HydrophobicContact CE2-CD2 4.39Å; Y353-L355 HydrophobicContact CE2-CG 4.41Å; Y353-L672 HydrophobicContact CD1-CD2 3.84Å; Y353-L672 HydrophobicContact CE1-CD2 3.45Å; Y353-L672 VanDerWaalsContact CE1-CD2 3.45Å; Y353-Q674 PolarHBondContact OH-NE2 3.09Å; Y353-Q674 VanDerWaalsContact OH-NE2 3.14Å; Y353-W701 HydrophobicContact CD1-CE3 4.23Å; Y353-W701 AromaticContact CD2-CE3 3.7Å; Y353-W701 HydrophobicContact CD2-CE3 3.7Å; Y353-W701 HydrophobicContact CD2-CZ3 4.41Å; Y353-W701 HydrophobicContact CE1-CE3 4.06Å; Y353-W701 HydrophobicContact CE1-CZ3 4.14Å; Y353-W701 AromaticContact CE2-CE3 3.48Å; Y353-W701 HydrophobicContact CE2-CE3 3.48Å; Y353-W701 VanDerWaalsContact CE2-CE3 3.48Å; Y353-W701 AromaticContact CE2-CZ3 3.73Å; Y353-W701 HydrophobicContact CE2-CZ3 3.73Å; Y353-W701 HydrophobicContact CG-CE3 4.09Å; Y353-W701 AromaticContact CZ-CE3 3.69Å; Y353-W701 AromaticContact CZ-CZ3 3.59Å; Y353-F703 HydrophobicContact CD1-CE1 4.36Å
354	H	90.7	Very high	90	Very high	64 Å²	64	57.5 Å²	57.5	30%	0.296	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	136.2	160.1	178.2	83.9	0	0	0	109.2	D702 R705	H354-D702 HydrophobicContact CB-CB 4.44Å; H354-D702 PolarHBondContact N-O 3.49Å; H354-D702 PolarHBondContact O-N 3.5Å; H354-R705 HydrophobicContact CB-CB 3.88Å; H354-R705 PolarHBondContact CD2-NH1 3.02Å; H354-R705 PolarHBondContact NE2-NH1 3.49Å
355	L	92	Very high	89.6	Confident	31 Å²	31	59.4 Å²	59.4	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.8	-173.3	-171.9	72.2	0	0	0	111.9	Y353 R357 Q674 L699 I700 W701	Y353-L355 HydrophobicContact CD2-CB 3.98Å; Y353-L355 HydrophobicContact CD2-CD1 4.3Å; Y353-L355 HydrophobicContact CE2-CB 3.98Å; Y353-L355 HydrophobicContact CE2-CD1 4.15Å; Y353-L355 HydrophobicContact CE2-CD2 4.39Å; Y353-L355 HydrophobicContact CE2-CG 4.41Å; L355-R357 VanDerWaalsContact CD2-CZ 3.48Å; L355-R357 HydrophobicContact CG-CG 4.47Å; L355-Q674 HydrophobicContact CD2-CB 4.14Å; L355-Q674 HydrophobicContact CD2-CG 3.69Å; L355-L699 HydrophobicContact CD1-CB 4.25Å; L355-L699 HydrophobicContact CD1-CD2 4.46Å; L355-I700 WeakPolarHBondContact CA-O 3.43Å; L355-W701 HydrophobicContact CD1-CD2 3.75Å; L355-W701 HydrophobicContact CD1-CE3 3.88Å; L355-W701 HydrophobicContact CD1-CG 4.09Å; L355-W701 HydrophobicContact CD1-CZ3 4.38Å
356	T	92.2	Very high	89.5	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.7	168.5	-69.6	0	0	0	0	109.4	I358 D451 Y453 I700	T356-I358 HydrophobicContact CG2-CG1 4.29Å; T356-D451 HydrophobicContact CG2-CB 4.07Å; T356-D451 VanDerWaalsContact CG2-O 3.29Å; T356-D451 WeakPolarHBondContact CG2-O 3.49Å; T356-Y453 HydrophobicContact CG2-CD2 4.25Å; T356-I700 HydrophobicContact CG2-CD1 4.16Å; T356-I700 PolarHBondContact N-O 3.13Å; T356-I700 PolarHBondContact O-N 2.87Å
357	R	94	Very high	89.5	Confident	119 Å²	119	59.8 Å²	59.8	45%	0.449	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.4	175.3	-53.2	-155.3	173.1	80.2	-9	111.1	L355 S450 L699	L355-R357 VanDerWaalsContact CD2-CZ 3.48Å; L355-R357 HydrophobicContact CG-CG 4.47Å; R357-S450 WeakPolarHBondContact O-CB 3.45Å; R357-L699 HydrophobicContact CB-CD2 3.98Å; R357-L699 HydrophobicContact CG-CD2 3.5Å; R357-L699 VanDerWaalsContact CG-CD2 3.5Å
358	I	93.7	Very high	89.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	105.5	174.5	-58.3	171.8	0	0	0	108.1	T356 I378 W390 Y453 T697 I698 I700	T356-I358 HydrophobicContact CG2-CG1 4.29Å; I358-I378 HydrophobicContact CD1-CD1 4.09Å; I358-W390 HydrophobicContact CG2-CD2 3.89Å; I358-W390 HydrophobicContact CG2-CE3 3.54Å; I358-W390 HydrophobicContact CG2-CH2 4.1Å; I358-W390 HydrophobicContact CG2-CZ2 4.39Å; I358-W390 HydrophobicContact CG2-CZ3 3.65Å; I358-Y453 HydrophobicContact CD1-CD1 4.03Å; I358-Y453 HydrophobicContact CD1-CD2 3.94Å; I358-Y453 HydrophobicContact CD1-CG 3.62Å; I358-Y453 HydrophobicContact CG1-CG 4.45Å; I358-T697 WeakPolarHBondContact O-CA 3.44Å; I358-I698 HydrophobicContact CB-CB 4.25Å; I358-I698 PolarHBondContact N-O 3.15Å; I358-I698 PolarHBondContact O-N 3.38Å; I358-I700 HydrophobicContact CD1-CD1 4.07Å
359	P	92.7	Very high	89.8	Confident	59 Å²	59	61.4 Å²	61.4	38%	0.383	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.9	170.6	30.5	-31.3	0	0	0	109.2
360	C	90.5	Very high	90.1	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	28%	0.276	C	S	.	.			trans	-80.5	-19.2	-171.8	-67.6	0	0	0	0	114	V368 L382 W390 D696	C360-V368 HydrophobicContact CB-CG2 3.85Å; C360-V368 VanDerWaalsContact SG-CG2 3.52Å; C360-L382 HydrophobicContact CB-CD2 4.32Å; C360-W390 HydrophobicContact CB-CH2 4.45Å; C360-W390 HydrophobicContact CB-CZ2 4.02Å; C360-D696 WeakPolarHBondContact CB-O 3.35Å; C360-D696 PolarHBondContact N-O 3.3Å
361	R	86.8	Confident	90.4	Very high	140 Å²	140	51.3 Å²	51.3	53%	0.528	25%	0.25	S	S	.	.			trans	51.9	63	178.4	-62.7	-176.3	175.8	166	4.2	110.5	K388 A447 T448 D696	R361-K388 PolarHBondContact O-NZ 3.24Å; R361-A447 PolarHBondContact NH1-O 2.9Å; R361-T448 PolarHBondContact NH1-OG1 2.8Å; R361-T448 VanDerWaalsContact NH1-OG1 3.07Å; R361-T448 PolarHBondContact NH2-OG1 2.83Å; R361-D696 WeakPolarHBondContact CA-OD2 3.33Å; R361-D696 PolarHBondContact N-OD2 2.94Å
362	S	79.9	Confident	90.8	Very high	7 Å²	7	52.7 Å²	52.7	5%	0.049	25%	0.254	C	S	.	.			trans	-78.2	122.1	166.4	-45.6	0	0	0	0	109	T365 L382 D384 D696	S362-T365 WeakPolarHBondContact CB-O 3.39Å; S362-L382 WeakPolarHBondContact OG-CD2 3.42Å; S362-D384 WeakPolarHBondContact CA-OD2 3.43Å; S362-D696 VanDerWaalsContact CB-OD1 3.27Å; S362-D696 WeakPolarHBondContact CB-OD1 3.38Å; S362-D696 PolarHBondContact N-OD2 3.29Å; S362-D696 PolarHBondContact OG-OD1 3.05Å; S362-D696 PolarHBondContact OG-OD2 3.03Å
363	D	74.5	Confident	91	Very high	144 Å²	144	49.4 Å²	49.4	77%	0.77	24%	0.238	S	C	*	.	S	Bend	trans	-68.5	-43	-165.3	-56.8	-74.5	0	0	0	113.6
364	V	78.6	Confident	91.1	Very high	134 Å²	134	49.2 Å²	49.2	81%	0.812	24%	0.24	S	C	*	.	S	Bend	trans	-112.3	-48.8	-177	-173.1	0	0	0	0	111.4
365	T	85	Confident	90.9	Very high	46 Å²	46	51.7 Å²	51.7	28%	0.282	25%	0.25	S	S	.	.	S	Bend	trans	-118	92.1	-166.8	35.3	0	0	0	0	111.6	S362 R383 D384	S362-T365 WeakPolarHBondContact CB-O 3.39Å; T365-R383 VanDerWaalsContact CB-O 3.31Å; T365-R383 WeakPolarHBondContact CB-O 3.42Å; T365-R383 CarbonylContact O-C 3.56Å; T365-R383 WeakPolarHBondContact O-CB 3.44Å; T365-R383 VanDerWaalsContact OG1-C 3.27Å; T365-R383 PolarHBondContact OG1-O 3Å; T365-D384 WeakPolarHBondContact OG1-CA 3.49Å; T365-D384 PolarHBondContact OG1-N 3.27Å
366	K	90	Very high	90.8	Very high	130 Å²	130	55.8 Å²	55.8	57%	0.565	27%	0.268	S	S	*	.			trans	-61.9	140	-179.6	-67.2	-173.9	-179.7	-175.2	0	113.9	R383 D696	K366-R383 WeakPolarHBondContact O-CD 3.47Å; K366-D696 WeakPolarHBondContact CA-OD1 3.11Å; K366-D696 HydrophobicContact CB-CB 4.04Å; K366-D696 HydrophobicContact CD-CB 4.25Å; K366-D696 HydrophobicContact CG-CB 4.09Å
367	G	93.1	Very high	90.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.			trans	128.8	137.3	167.7	0	0	0	0	0	114.5	R383 S693 D696	G367-R383 WeakPolarHBondContact O-CB 3.46Å; G367-R383 PolarHBondContact O-N 3.31Å; G367-S693 WeakPolarHBondContact CA-O 3.29Å; G367-D696 PolarHBondContact N-OD1 3.26Å
368	V	97	Very high	91	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	102	-178.4	178.3	0	0	0	0	109.4	C360 L382 F680 S692 S693 I698	C360-V368 HydrophobicContact CB-CG2 3.85Å; C360-V368 VanDerWaalsContact SG-CG2 3.52Å; V368-L382 HydrophobicContact CG1-CD1 4.31Å; V368-L382 HydrophobicContact CG2-CD1 4.16Å; V368-L382 HydrophobicContact CG2-CG 4.08Å; V368-F680 WeakPolarHBondContact O-CB 3.18Å; V368-S692 WeakPolarHBondContact O-CB 3.25Å; V368-S692 PolarHBondContact O-OG 2.86Å; V368-S693 PolarHBondContact N-O 3.41Å; V368-I698 HydrophobicContact CG1-CD1 4.43Å; V368-I698 HydrophobicContact CG1-CG1 4.3Å
369	Y	97.8	Very high	91.2	Very high	45 Å²	45	52.1 Å²	52.1	18%	0.176	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-34.4	-171.6	-78.6	-57.1	0	0	0	114.2	G381 R383 V466 L467 F680	Y369-G381 PolarHBondContact N-O 2.64Å; Y369-R383 HydrophobicContact CD2-CB 4.13Å; Y369-R383 HydrophobicContact CE2-CB 3.7Å; Y369-R383 HydrophobicContact CE2-CG 3.64Å; Y369-V466 WeakPolarHBondContact CB-O 3.28Å; Y369-L467 HydrophobicContact CD2-CD2 3.75Å; Y369-L467 HydrophobicContact CE2-CD2 3.82Å; Y369-L467 HydrophobicContact CG-CD2 4.16Å; Y369-F680 HydrophobicContact CD1-CD1 4.19Å; Y369-F680 AromaticContact CD1-CD2 3.69Å; Y369-F680 HydrophobicContact CD1-CD2 3.69Å; Y369-F680 HydrophobicContact CD1-CE1 4.26Å; Y369-F680 AromaticContact CD1-CE2 3.74Å; Y369-F680 HydrophobicContact CD1-CE2 3.74Å; Y369-F680 AromaticContact CD1-CG 3.92Å; Y369-F680 HydrophobicContact CD1-CG 3.92Å; Y369-F680 HydrophobicContact CD1-CZ 4.03Å; Y369-F680 HydrophobicContact CE1-CD1 4.38Å; Y369-F680 HydrophobicContact CE1-CD2 4.07Å; Y369-F680 AromaticContact CE1-CE1 3.99Å; Y369-F680 HydrophobicContact CE1-CE1 3.99Å; Y369-F680 AromaticContact CE1-CE2 3.61Å; Y369-F680 HydrophobicContact CE1-CE2 3.61Å; Y369-F680 HydrophobicContact CE1-CG 4.43Å; Y369-F680 AromaticContact CE1-CZ 3.57Å; Y369-F680 HydrophobicContact CE1-CZ 3.57Å; Y369-F680 HydrophobicContact CG-CD2 4.49Å
370	C	97.8	Very high	91.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152	-177	61.4	0	0	0	0	112.3	S380 G381 V466 C468 L469	C370-S380 CarbonylContact O-C 3.55Å; C370-S380 VanDerWaalsContact O-CA 3.31Å; C370-S380 WeakPolarHBondContact O-CA 3.41Å; C370-G381 PolarHBondContact N-O 2.92Å; C370-G381 PolarHBondContact O-N 3.28Å; C370-V466 PolarHBondContact SG-O 2.76Å; C370-C468 VanDerWaalsContact SG-C 3.56Å; C370-L469 HydrophobicContact CB-CG 4.38Å
371	L	98.1	Very high	91.8	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152.2	176.9	78.3	92	0	0	0	110.3	Y373 V379 R681 Q683 V690	L371-Y373 HydrophobicContact CD1-CD1 4.26Å; L371-V379 CarbonylContact C-O 3.6Å; L371-V379 VanDerWaalsContact CA-O 3.28Å; L371-V379 WeakPolarHBondContact CA-O 3.22Å; L371-R681 HydrophobicContact CD2-CB 4.29Å; L371-R681 HydrophobicContact CG-CB 4.32Å; L371-R681 HydrophobicContact CG-CG 4.18Å; L371-Q683 HydrophobicContact CD1-CB 4Å; L371-V690 HydrophobicContact CD1-CB 4.17Å; L371-V690 HydrophobicContact CD1-CG1 3.84Å; L371-V690 HydrophobicContact CD2-CG1 4.16Å
372	Q	98.2	Very high	92.2	Very high	42 Å²	42	42.5 Å²	42.5	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.8	160.2	-179.3	-178.4	-27.4	0	0	108.6	V379 L469 Q470 Y471 Q683	Q372-V379 PolarHBondContact N-O 3.27Å; Q372-V379 PolarHBondContact O-N 3.11Å; Q372-L469 HydrophobicContact CB-CD1 3.87Å; Q372-Q470 VanDerWaalsContact OE1-CA 3.29Å; Q372-Y471 HydrophobicContact CB-CD1 3.98Å; Q372-Y471 HydrophobicContact CB-CE1 3.68Å; Q372-Y471 VanDerWaalsContact CD-CD1 3.48Å; Q372-Y471 HydrophobicContact CG-CD1 3.92Å; Q372-Y471 HydrophobicContact CG-CE1 3.5Å; Q372-Y471 PolarHBondContact NE2-O 2.82Å; Q372-Q683 VanDerWaalsContact CA-OE1 3.29Å
373	Y	96.4	Very high	93	Very high	16 Å²	16	46.2 Å²	46.2	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157	175.9	76.1	-95	0	0	0	114	L371 K377 Y471 Q683 F684 D685 Q688 V690	L371-Y373 HydrophobicContact CD1-CD1 4.26Å; Y373-K377 WeakPolarHBondContact CA-O 3.45Å; Y373-Y471 VanDerWaalsContact C-OH 3.28Å; Y373-Q683 HydrophobicContact CD1-CB 3.84Å; Y373-Q683 HydrophobicContact CD1-CG 3.79Å; Y373-Q683 HydrophobicContact CE1-CB 3.59Å; Y373-Q683 VanDerWaalsContact CE1-CD 3.45Å; Y373-Q683 HydrophobicContact CE1-CG 3.4Å; Y373-Q683 PolarHBondContact O-NE2 3.3Å; Y373-F684 VanDerWaalsContact OH-C 3.26Å; Y373-F684 WeakPolarHBondContact OH-CA 3.39Å; Y373-D685 VanDerWaalsContact CE2-OD2 3.3Å; Y373-D685 WeakPolarHBondContact CE2-OD2 3.5Å; Y373-D685 VanDerWaalsContact OH-CG 3.25Å; Y373-D685 PolarHBondContact OH-N 3.15Å; Y373-D685 PolarHBondContact OH-OD2 2.82Å; Y373-Q688 HydrophobicContact CE2-CG 4.45Å; Y373-Q688 VanDerWaalsContact CE2-NE2 3.26Å; Y373-V690 HydrophobicContact CD1-CB 3.58Å; Y373-V690 HydrophobicContact CD1-CG1 4.27Å; Y373-V690 HydrophobicContact CD1-CG2 3.41Å; Y373-V690 VanDerWaalsContact CD1-CG2 3.41Å; Y373-V690 HydrophobicContact CD2-CG2 4.45Å; Y373-V690 HydrophobicContact CE1-CB 3.69Å; Y373-V690 HydrophobicContact CE1-CG2 3.41Å; Y373-V690 VanDerWaalsContact CE1-CG2 3.41Å; Y373-V690 HydrophobicContact CE2-CG2 4.49Å; Y373-V690 HydrophobicContact CG-CB 4.49Å; Y373-V690 HydrophobicContact CG-CG2 3.96Å
374	D	93.2	Very high	93.9	Very high	44 Å²	44	40.6 Å²	40.6	24%	0.235	19%	0.194	C	C	.	.			trans	-128.5	-169.7	163.8	64.1	50.8	0	0	0	110	H376 K377 Y471	D374-H376 PolarHBondContact O-N 2.88Å; D374-H376 WeakPolarHBondContact OD1-CA 3.49Å; D374-H376 WeakPolarHBondContact OD1-CB 3.34Å; D374-H376 PolarHBondContact OD1-N 2.82Å; D374-K377 PolarHBondContact N-O 2.93Å; D374-K377 PolarHBondContact OD1-N 3.33Å; D374-K377 WeakPolarHBondContact OD2-CG 3.5Å; D374-K377 IonicContact OD2-NZ 2.7Å; D374-K377 PolarHBondContact OD2-NZ 2.91Å; D374-Y471 WeakPolarHBondContact CB-OH 3.46Å; D374-Y471 PolarHBondContact N-OH 2.9Å; D374-Y471 VanDerWaalsContact N-OH 3.12Å; D374-Y471 WeakPolarHBondContact OD2-CE2 3.25Å; D374-Y471 PolarHBondContact OD2-OH 2.73Å
375	K	87.9	Confident	94.8	Very high	117 Å²	117	36.7 Å²	36.7	51%	0.509	17%	0.168	S	C	.	.	S	Bend	trans	-68.5	-20.3	-177.1	77	-178.7	-172.1	-178	0	114.6	E174	E174-K375 VanDerWaalsContact OE1-CD 3.22Å; E174-K375 WeakPolarHBondContact OE1-CD 3.09Å; E174-K375 WeakPolarHBondContact OE1-CE 3.5Å; E174-K375 IonicContact OE1-NZ 3.26Å; E174-K375 PolarHBondContact OE1-NZ 2.7Å
376	H	89.5	Confident	95.3	Very high	116 Å²	116	35.2 Å²	35.2	54%	0.537	16%	0.159	S	C	.	.	S	Bend	trans	-105.2	-36.1	-175.2	-59.6	-75.4	0	0	0	113.3	D374 R392	D374-H376 PolarHBondContact O-N 2.88Å; D374-H376 WeakPolarHBondContact OD1-CA 3.49Å; D374-H376 WeakPolarHBondContact OD1-CB 3.34Å; D374-H376 PolarHBondContact OD1-N 2.82Å; H376-R392 WeakPolarHBondContact O-CB 3.26Å; H376-R392 PolarHBondContact O-N 3.09Å
377	K	93.4	Very high	95.6	Very high	44 Å²	44	29.1 Å²	29.1	19%	0.191	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	153.8	-171.2	64	-177.6	-174.8	-62.4	0	114.3	Y373 D374 V379 V389 W390	Y373-K377 WeakPolarHBondContact CA-O 3.45Å; D374-K377 PolarHBondContact N-O 2.93Å; D374-K377 PolarHBondContact OD1-N 3.33Å; D374-K377 WeakPolarHBondContact OD2-CG 3.5Å; D374-K377 IonicContact OD2-NZ 2.7Å; D374-K377 PolarHBondContact OD2-NZ 2.91Å; K377-V379 HydrophobicContact CD-CG2 4.36Å; K377-V389 HydrophobicContact CB-CG1 4.35Å; K377-V389 HydrophobicContact CD-CG1 4.22Å; K377-W390 CarbonylContact C-O 3.59Å; K377-W390 VanDerWaalsContact CA-O 3.22Å; K377-W390 WeakPolarHBondContact CA-O 3.27Å
378	I	97	Very high	95.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.2	164.4	-50.7	171.2	0	0	0	107	I358 W390 Y453 V690 I698 I700	I358-I378 HydrophobicContact CD1-CD1 4.09Å; I378-W390 HydrophobicContact CB-CB 4.27Å; I378-W390 PolarHBondContact N-O 3.47Å; I378-W390 PolarHBondContact O-N 3.17Å; I378-Y453 HydrophobicContact CD1-CD1 4.34Å; I378-Y453 HydrophobicContact CD1-CE1 3.85Å; I378-Y453 HydrophobicContact CG1-CE1 4.09Å; I378-V690 HydrophobicContact CD1-CG1 4.1Å; I378-V690 HydrophobicContact CG2-CG1 4.48Å; I378-I698 HydrophobicContact CD1-CG2 4.36Å; I378-I698 HydrophobicContact CG2-CD1 4.42Å; I378-I700 HydrophobicContact CD1-CD1 3.78Å; I378-I700 HydrophobicContact CD1-CG1 4.27Å
379	V	97.6	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.6	172.1	-175.6	0	0	0	0	107.7	L371 Q372 K377 I387 V389 L469 Y471 L476 L490	L371-V379 CarbonylContact C-O 3.6Å; L371-V379 VanDerWaalsContact CA-O 3.28Å; L371-V379 WeakPolarHBondContact CA-O 3.22Å; Q372-V379 PolarHBondContact N-O 3.27Å; Q372-V379 PolarHBondContact O-N 3.11Å; K377-V379 HydrophobicContact CD-CG2 4.36Å; V379-I387 HydrophobicContact CG1-CG2 3.64Å; V379-V389 HydrophobicContact CG1-CG2 4.38Å; V379-V389 HydrophobicContact CG2-CG1 4.39Å; V379-V389 HydrophobicContact CG2-CG2 4.37Å; V379-L469 HydrophobicContact CG1-CD1 4.42Å; V379-L469 HydrophobicContact CG1-CD2 4.06Å; V379-Y471 HydrophobicContact CB-CD1 4.08Å; V379-Y471 HydrophobicContact CB-CE1 3.98Å; V379-Y471 HydrophobicContact CG2-CD1 3.84Å; V379-Y471 HydrophobicContact CG2-CE1 3.61Å; V379-L476 HydrophobicContact CG1-CD1 4.14Å; V379-L476 HydrophobicContact CG1-CD2 4.32Å; V379-L490 HydrophobicContact CG2-CD1 4.45Å; V379-L490 HydrophobicContact CG2-CD2 4.3Å
380	S	97.8	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.7	-174.5	60	0	0	0	0	112.5	C370 L382 I387 K388 W390	C370-S380 CarbonylContact O-C 3.55Å; C370-S380 VanDerWaalsContact O-CA 3.31Å; C370-S380 WeakPolarHBondContact O-CA 3.41Å; S380-L382 VanDerWaalsContact O-CD1 3.26Å; S380-L382 WeakPolarHBondContact O-CD1 3.35Å; S380-L382 WeakPolarHBondContact OG-CD1 3.39Å; S380-I387 CarbonylContact O-C 3.58Å; S380-I387 WeakPolarHBondContact O-CA 3.34Å; S380-I387 WeakPolarHBondContact O-CG2 3.35Å; S380-K388 PolarHBondContact N-O 3.42Å; S380-K388 PolarHBondContact O-N 2.94Å; S380-K388 PolarHBondContact OG-O 2.79Å; S380-K388 VanDerWaalsContact OG-O 3.08Å; S380-W390 PolarHBondContact OG-NE1 2.82Å
381	G	97.5	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.3	173.3	0	0	0	0	0	110.8	Y369 C370	Y369-G381 PolarHBondContact N-O 2.64Å; C370-G381 PolarHBondContact N-O 2.92Å; C370-G381 PolarHBondContact O-N 3.28Å
382	L	97.1	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	173.8	-168.4	-85.5	66.1	0	0	0	112.4	C360 S362 V368 S380 D384 T386 K388 V466	C360-L382 HydrophobicContact CB-CD2 4.32Å; S362-L382 WeakPolarHBondContact OG-CD2 3.42Å; V368-L382 HydrophobicContact CG1-CD1 4.31Å; V368-L382 HydrophobicContact CG2-CD1 4.16Å; V368-L382 HydrophobicContact CG2-CG 4.08Å; S380-L382 VanDerWaalsContact O-CD1 3.26Å; S380-L382 WeakPolarHBondContact O-CD1 3.35Å; S380-L382 WeakPolarHBondContact OG-CD1 3.39Å; L382-D384 WeakPolarHBondContact CB-OD1 3.34Å; L382-D384 VanDerWaalsContact CD2-OD2 3.31Å; L382-D384 WeakPolarHBondContact CD2-OD2 3.45Å; L382-T386 PolarHBondContact N-O 2.8Å; L382-K388 HydrophobicContact CD1-CB 4.31Å; L382-K388 HydrophobicContact CD1-CG 4.37Å; L382-K388 HydrophobicContact CD2-CD 3.53Å; L382-K388 HydrophobicContact CD2-CG 4Å; L382-V466 PolarHBondContact O-N 2.96Å
383	R	96	Very high	94.2	Very high	85 Å²	85	35.9 Å²	35.9	32%	0.321	16%	0.162	S	C	.	.	S	Bend	trans	-91.7	-4.6	172.7	-168.3	-176.1	176.7	-154.4	-5.5	113.4	T365 K366 G367 Y369 D385 S465	T365-R383 VanDerWaalsContact CB-O 3.31Å; T365-R383 WeakPolarHBondContact CB-O 3.42Å; T365-R383 CarbonylContact O-C 3.56Å; T365-R383 WeakPolarHBondContact O-CB 3.44Å; T365-R383 VanDerWaalsContact OG1-C 3.27Å; T365-R383 PolarHBondContact OG1-O 3Å; K366-R383 WeakPolarHBondContact O-CD 3.47Å; G367-R383 WeakPolarHBondContact O-CB 3.46Å; G367-R383 PolarHBondContact O-N 3.31Å; Y369-R383 HydrophobicContact CD2-CB 4.13Å; Y369-R383 HydrophobicContact CE2-CB 3.7Å; Y369-R383 HydrophobicContact CE2-CG 3.64Å; R383-D385 PolarHBondContact O-N 3.46Å; R383-S465 WeakPolarHBondContact CG-OG 3.31Å; R383-S465 PolarHBondContact O-OG 3.41Å
384	D	93.9	Very high	92.8	Very high	26 Å²	26	39.6 Å²	39.6	14%	0.139	19%	0.189	C	C	.	.	S	Bend	trans	-84.6	18.9	165.5	63	12.7	0	0	0	112.5	S362 T365 L382 T386 K388	S362-D384 WeakPolarHBondContact CA-OD2 3.43Å; T365-D384 WeakPolarHBondContact OG1-CA 3.49Å; T365-D384 PolarHBondContact OG1-N 3.27Å; L382-D384 WeakPolarHBondContact CB-OD1 3.34Å; L382-D384 VanDerWaalsContact CD2-OD2 3.31Å; L382-D384 WeakPolarHBondContact CD2-OD2 3.45Å; D384-T386 WeakPolarHBondContact O-CG2 3.19Å; D384-T386 PolarHBondContact O-N 2.84Å; D384-T386 WeakPolarHBondContact OD1-CB 3.45Å; D384-T386 WeakPolarHBondContact OD1-CG2 3.49Å; D384-T386 PolarHBondContact OD1-N 2.89Å; D384-T386 VanDerWaalsContact OD1-N 3.15Å; D384-T386 PolarHBondContact OD1-OG1 3.43Å; D384-K388 IonicContact OD2-NZ 3.27Å; D384-K388 PolarHBondContact OD2-NZ 2.92Å
385	D	95.8	Very high	90.8	Very high	52 Å²	52	44 Å²	44	28%	0.278	21%	0.212	S	C	.	.	S	Bend	trans	64	1.9	-180	-51	-11.5	0	0	0	115	R383 G464 S465	R383-D385 PolarHBondContact O-N 3.46Å; D385-G464 WeakPolarHBondContact CB-O 3.31Å; D385-G464 WeakPolarHBondContact OD1-CA 3.28Å; D385-G464 VanDerWaalsContact OD2-CA 3.23Å; D385-G464 WeakPolarHBondContact OD2-CA 3.16Å; D385-G464 PolarHBondContact OD2-N 2.91Å; D385-S465 WeakPolarHBondContact OD1-CA 3.36Å; D385-S465 PolarHBondContact OD1-N 3.18Å; D385-S465 PolarHBondContact OD1-OG 2.95Å; D385-S465 VanDerWaalsContact OD1-OG 3.08Å
386	T	96.2	Very high	88.3	Confident	15 Å²	15	43.9 Å²	43.9	9%	0.092	22%	0.216	C	C	.	.			trans	-90.4	166	177.3	76.7	0	0	0	0	114	L382 D384 K388 V458 L459 E460	L382-T386 PolarHBondContact N-O 2.8Å; D384-T386 WeakPolarHBondContact O-CG2 3.19Å; D384-T386 PolarHBondContact O-N 2.84Å; D384-T386 WeakPolarHBondContact OD1-CB 3.45Å; D384-T386 WeakPolarHBondContact OD1-CG2 3.49Å; D384-T386 PolarHBondContact OD1-N 2.89Å; D384-T386 VanDerWaalsContact OD1-N 3.15Å; D384-T386 PolarHBondContact OD1-OG1 3.43Å; T386-K388 WeakPolarHBondContact OG1-CE 3.43Å; T386-V458 HydrophobicContact CG2-CG1 3.85Å; T386-L459 WeakPolarHBondContact CA-O 3.36Å; T386-E460 HydrophobicContact CG2-CG 4.24Å
387	I	97.3	Very high	85.4	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.8	163.2	-47.5	179.5	0	0	0	108.7	V379 S380 L459 V466 L469 L476 W488	V379-I387 HydrophobicContact CG1-CG2 3.64Å; S380-I387 CarbonylContact O-C 3.58Å; S380-I387 WeakPolarHBondContact O-CA 3.34Å; S380-I387 WeakPolarHBondContact O-CG2 3.35Å; I387-L459 HydrophobicContact CB-CB 4.14Å; I387-L459 HydrophobicContact CB-CD1 4.42Å; I387-L459 HydrophobicContact CB-CG 4.45Å; I387-L459 PolarHBondContact N-O 3.44Å; I387-L459 PolarHBondContact O-N 3.2Å; I387-V466 HydrophobicContact CD1-CG1 4.13Å; I387-V466 HydrophobicContact CD1-CG2 4.48Å; I387-V466 HydrophobicContact CG1-CB 4.41Å; I387-V466 HydrophobicContact CG1-CG1 4.08Å; I387-V466 HydrophobicContact CG1-CG2 3.91Å; I387-L469 HydrophobicContact CG2-CD2 4.1Å; I387-L476 HydrophobicContact CD1-CD2 3.88Å; I387-L476 HydrophobicContact CG2-CD2 4.18Å; I387-W488 HydrophobicContact CD1-CZ2 4.45Å
388	K	96.2	Very high	82.4	Confident	17 Å²	17	44.3 Å²	44.3	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.9	179.8	-61.9	-174.4	179.7	152.8	0	110.3	R361 S380 L382 D384 T386 W390 V458	R361-K388 PolarHBondContact O-NZ 3.24Å; S380-K388 PolarHBondContact N-O 3.42Å; S380-K388 PolarHBondContact O-N 2.94Å; S380-K388 PolarHBondContact OG-O 2.79Å; S380-K388 VanDerWaalsContact OG-O 3.08Å; L382-K388 HydrophobicContact CD1-CB 4.31Å; L382-K388 HydrophobicContact CD1-CG 4.37Å; L382-K388 HydrophobicContact CD2-CD 3.53Å; L382-K388 HydrophobicContact CD2-CG 4Å; D384-K388 IonicContact OD2-NZ 3.27Å; D384-K388 PolarHBondContact OD2-NZ 2.92Å; T386-K388 WeakPolarHBondContact OG1-CE 3.43Å; K388-W390 HydrophobicContact CB-CZ2 3.89Å; K388-W390 HydrophobicContact CD-CZ2 4.16Å; K388-V458 HydrophobicContact CG-CG1 4.24Å; K388-V458 HydrophobicContact CG-CG2 4.23Å
389	V	96.4	Very high	79.4	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.1	176.6	-176.2	0	0	0	0	109.3	K377 V379 C455 T456 Q457 L490	K377-V389 HydrophobicContact CB-CG1 4.35Å; K377-V389 HydrophobicContact CD-CG1 4.22Å; V379-V389 HydrophobicContact CG1-CG2 4.38Å; V379-V389 HydrophobicContact CG2-CG1 4.39Å; V379-V389 HydrophobicContact CG2-CG2 4.37Å; V389-C455 CarbonylContact O-C 3.53Å; V389-C455 WeakPolarHBondContact O-CA 3.35Å; V389-C455 PolarHBondContact O-SG 3.32Å; V389-T456 PolarHBondContact O-N 3.41Å; V389-T456 PolarHBondContact O-OG1 3Å; V389-Q457 HydrophobicContact CB-CB 4.05Å; V389-Q457 HydrophobicContact CG2-CB 4.05Å; V389-Q457 PolarHBondContact N-O 3.49Å; V389-L490 HydrophobicContact CG2-CD2 4.21Å
390	W	95.7	Very high	76.2	Confident	16 Å²	16	55.7 Å²	55.7	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109	-176.4	-49.7	87.4	0	0	0	110	I358 C360 K377 I378 S380 K388 Y453 R454 C455	I358-W390 HydrophobicContact CG2-CD2 3.89Å; I358-W390 HydrophobicContact CG2-CE3 3.54Å; I358-W390 HydrophobicContact CG2-CH2 4.1Å; I358-W390 HydrophobicContact CG2-CZ2 4.39Å; I358-W390 HydrophobicContact CG2-CZ3 3.65Å; C360-W390 HydrophobicContact CB-CH2 4.45Å; C360-W390 HydrophobicContact CB-CZ2 4.02Å; K377-W390 CarbonylContact C-O 3.59Å; K377-W390 VanDerWaalsContact CA-O 3.22Å; K377-W390 WeakPolarHBondContact CA-O 3.27Å; I378-W390 HydrophobicContact CB-CB 4.27Å; I378-W390 PolarHBondContact N-O 3.47Å; I378-W390 PolarHBondContact O-N 3.17Å; S380-W390 PolarHBondContact OG-NE1 2.82Å; K388-W390 HydrophobicContact CB-CZ2 3.89Å; K388-W390 HydrophobicContact CD-CZ2 4.16Å; W390-Y453 HydrophobicContact CB-CD1 4.36Å; W390-R454 CarbonylContact C-O 3.54Å; W390-R454 VanDerWaalsContact CA-O 3.26Å; W390-R454 WeakPolarHBondContact CA-O 3.32Å; W390-C455 HydrophobicContact CD2-CB 4.46Å; W390-C455 HydrophobicContact CE3-CB 3.84Å; W390-C455 HydrophobicContact CH2-CB 4.22Å; W390-C455 HydrophobicContact CZ3-CB 3.71Å
391	Q	93	Very high	73.2	Confident	77 Å²	77	64.4 Å²	64.4	36%	0.36	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135	175.6	-169.7	-178.6	46.9	0	0	110.4	I393 Y453 R454 T456	Q391-I393 PolarHBondContact O-N 2.84Å; Q391-Y453 WeakPolarHBondContact O-CA 3.5Å; Q391-R454 HydrophobicContact CB-CG 4.47Å; Q391-R454 PolarHBondContact N-O 3.49Å; Q391-R454 PolarHBondContact O-N 2.95Å; Q391-T456 HydrophobicContact CB-CG2 3.48Å; Q391-T456 VanDerWaalsContact CB-CG2 3.48Å; Q391-T456 HydrophobicContact CG-CG2 4.47Å
392	R	87.4	Confident	70.1	Confident	83 Å²	83	71.2 Å²	71.2	31%	0.313	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.3	169.8	-172.4	177.2	177.8	173.9	-0.2	109.8	H376 G452 Y453	H376-R392 WeakPolarHBondContact O-CB 3.26Å; H376-R392 PolarHBondContact O-N 3.09Å; R392-G452 WeakPolarHBondContact CA-O 3.29Å; R392-Y453 HydrophobicContact CB-CD1 4.13Å; R392-Y453 HydrophobicContact CB-CE1 3.59Å; R392-Y453 HydrophobicContact CG-CE1 4.1Å; R392-Y453 HydrophobicContact CG-CE2 4.18Å
393	I	83.8	Confident	67	Low	39 Å²	39	80.5 Å²	80.5	20%	0.2	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-80.7	127.6	176.1	-54.4	169.4	0	0	0	108	Q391 C449 G452 R454	Q391-I393 PolarHBondContact O-N 2.84Å; I393-C449 VanDerWaalsContact CD1-SG 3.53Å; I393-G452 PolarHBondContact N-O 3.03Å; I393-R454 HydrophobicContact CD1-CB 4.08Å; I393-R454 HydrophobicContact CD1-CG 4.2Å; I393-R454 HydrophobicContact CG1-CB 4.35Å; I393-R454 HydrophobicContact CG1-CG 3.95Å
394	P	65.8	Low	63.8	Low	95 Å²	95	79.2 Å²	79.2	62%	0.617	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-61.4	147.4	171.1	-22.7	34.3	0	0	0	111.8	I396	P394-I396 VanDerWaalsContact C-N 3.29Å; P394-I396 PolarHBondContact O-N 3.26Å
395	N	52.5	Low	60.7	Low	135 Å²	135	84.2 Å²	84.2	72%	0.722	47%	0.465	S	S	*	.	S	Bend	trans	-70.1	78	-177.5	-79	2.9	0	0	0	112.8
396	I	34.9	Very low	57.6	Low	115 Å²	115	86.5 Å²	86.5	59%	0.59	49%	0.485	S	S	*	.			trans	-95.2	-21.1	167.3	-58.5	175.9	0	0	0	110.3	P394 A398	P394-I396 VanDerWaalsContact C-N 3.29Å; P394-I396 PolarHBondContact O-N 3.26Å; I396-A398 PolarHBondContact O-N 3.21Å
397	C	28.8	Very low	54.7	Low	101 Å²	101	91.6 Å²	91.6	68%	0.682	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	40.3	-170	-60.3	0	0	0	0	116.1
398	A	31	Very low	51.5	Low	69 Å²	69	99 Å²	99	57%	0.57	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-27.3	161.1	0	0	0	0	0	112.2	I396 N400	I396-A398 PolarHBondContact O-N 3.21Å; A398-N400 PolarHBondContact O-N 3.2Å
399	I	32.3	Very low	48.3	Very low	97 Å²	97	103.6 Å²	103.6	50%	0.497	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-70.5	-34.6	-167	-64.8	169.8	0	0	0	113
400	N	31.3	Very low	45.2	Very low	142 Å²	142	109.4 Å²	109.4	76%	0.759	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-93.7	-1.4	-171.4	-73.7	-3.5	0	0	0	115.7	A398	A398-N400 PolarHBondContact O-N 3.2Å
401	K	35.3	Very low	42.1	Very low	183 Å²	183	114.9 Å²	114.9	80%	0.796	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-88.2	-13.6	175.3	-76.5	-171.7	175.5	-179.1	0	114.2
402	N	31.3	Very low	39	Very low	143 Å²	143	117.3 Å²	117.3	77%	0.765	69%	0.686	S	S	*	*			trans	-101.1	7.9	-177.4	-73.1	5.9	0	0	0	114.7	G404	N402-G404 PolarHBondContact O-N 3.43Å
403	K	32.1	Very low	36.6	Very low	195 Å²	195	118.7 Å²	118.7	85%	0.848	71%	0.705	S	S	*	*			trans	-78.7	73.7	157.6	-78.7	-163.9	174.1	-174	0	109.2
404	G	29.3	Very low	34.1	Very low	58 Å²	58	124.3 Å²	124.3	60%	0.598	74%	0.735	S	S	*	*			trans	-61.6	146.4	172.5	0	0	0	0	0	111.5	N402 S406	N402-G404 PolarHBondContact O-N 3.43Å; G404-S406 PolarHBondContact O-N 2.75Å; G404-S406 VanDerWaalsContact O-N 3.11Å
405	S	28.3	Very low	32.8	Very low	131 Å²	131	124.6 Å²	124.6	92%	0.916	74%	0.738	S	S	*	*			trans	-74.5	92.2	174.9	52.3	0	0	0	0	110.8
406	S	30.5	Very low	32	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	74%	0.743	S	S	*	*			trans	-151.4	96.7	170.8	61	0	0	0	0	112.5	G404	G404-S406 PolarHBondContact O-N 2.75Å; G404-S406 VanDerWaalsContact O-N 3.11Å
407	S	35.8	Very low	32.2	Very low	122 Å²	122	128.5 Å²	128.5	85%	0.853	75%	0.754	S	S	*	*			trans	-161.4	120.8	156	-58.9	0	0	0	0	107.9
408	D	29.8	Very low	32.7	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	76%	0.764	S	S	*	*			trans	-85.1	-165.7	-179.9	-66.4	-80.6	0	0	0	112.7
409	C	30.4	Very low	33	Very low	114 Å²	114	129.5 Å²	129.5	77%	0.77	77%	0.768	S	S	*	*			trans	90.7	79.3	162.5	-58.3	0	0	0	0	118.4
410	T	29.2	Very low	33.4	Very low	125 Å²	125	132.9 Å²	132.9	77%	0.767	78%	0.781	S	S	*	*				29.1	122.9	117.5	56.7	0	0	0	0	119.1
411	T	31.5	Very low	33.7	Very low	131 Å²	131	133.9 Å²	133.9	80%	0.804	78%	0.779	S	S	*	*				178.9	146.4	97.6	-63.4	0	0	0	0	110.8
412	T	27.9	Very low	33.9	Very low	129 Å²	129	131.7 Å²	131.7	79%	0.791	78%	0.781	S	S	*	*			trans	-143.5	171.9	171.3	57.5	0	0	0	0	108.8
413	P	36.4	Very low	33.9	Very low	111 Å²	111	136 Å²	136	72%	0.721	79%	0.786	S	S	*	*			cis	-125.5	-179.6	-22.7	38.9	-24.4	0	0	0	112.8
414	N	32	Very low	34.1	Very low	157 Å²	157	130 Å²	130	84%	0.84	78%	0.78	S	S	*	*			trans	-172.4	149	130.4	-104.6	-6	0	0	0	112.3
415	P	38.8	Very low	34.5	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	79%	0.793	S	S	*	*			trans	-98.3	159.7	169.3	38.7	-32.8	0	0	0	112.7
416	D	35.4	Very low	35	Very low	155 Å²	155	136.1 Å²	136.1	83%	0.829	78%	0.778	S	S	*	*				171.9	170.7	125.3	-93.4	-23.2	0	0	0	114.2
417	E	38.3	Very low	35.4	Very low	177 Å²	177	138.7 Å²	138.7	83%	0.827	78%	0.783	S	S	*	*			trans	60.1	107.6	163.3	-65.3	-159.4	132	0	0	123.5
418	S	39	Very low	35.7	Very low	128 Å²	128	137.3 Å²	137.3	90%	0.895	78%	0.78	S	S	*	*			trans	72.2	153.4	138.8	81.4	0	0	0	0	120.2
419	G	37.4	Very low	36.5	Very low	63 Å²	63	135.3 Å²	135.3	65%	0.649	78%	0.775	S	S	*	*			cis	171.9	157.8	-10	0	0	0	0	0	113.4
420	H	41.2	Very low	36.9	Very low	167 Å²	167	136.1 Å²	136.1	77%	0.773	78%	0.777	S	S	*	*			trans	68.5	155.7	174.9	-66.4	-9.8	0	0	0	116.6
421	K	38.7	Very low	37.3	Very low	164 Å²	164	134.9 Å²	134.9	71%	0.713	78%	0.779	S	S	*	*			cis	-168.8	158.6	-12.9	-106.9	164.8	-176.7	156.2	0	106
422	V	38.1	Very low	37.5	Very low	137 Å²	137	133.1 Å²	133.1	83%	0.83	78%	0.778	S	S	*	*			cis	-130.5	-136.4	1.3	-160.8	0	0	0	0	108.6
423	R	32.4	Very low	38.1	Very low	233 Å²	233	132.7 Å²	132.7	88%	0.879	78%	0.778	S	S	*	*			trans	-162.9	154.8	175.5	-91.6	-176.4	171.9	174.2	-3.5	111.9
424	G	35.9	Very low	38	Very low	70 Å²	70	132.3 Å²	132.3	72%	0.722	78%	0.783	S	S	*	*			trans	176.1	119.1	161.1	0	0	0	0	0	108.1
425	R	37.6	Very low	38.2	Very low	232 Å²	232	129.3 Å²	129.3	88%	0.875	78%	0.78	S	S	*	*			cis	64.4	130.7	37.8	-76.8	-163.1	171	-177.7	-5.1	114.2
426	S	38	Very low	38	Very low	84 Å²	84	131.7 Å²	131.7	59%	0.587	79%	0.793	S	S	*	*			cis	-167.1	-178	-6.5	38.4	0	0	0	0	112.7
427	D	39.3	Very low	37.8	Very low	154 Å²	154	133 Å²	133	82%	0.824	79%	0.794	S	S	*	*			trans	94	155.7	152.7	-49.2	-52.6	0	0	0	119.4
428	A	41.8	Very low	37.3	Very low	94 Å²	94	128.6 Å²	128.6	78%	0.777	79%	0.788	S	S	*	*			trans	-154	-153.8	-157.8	0	0	0	0	0	110
429	P	46.9	Very low	36.9	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	79%	0.785	S	S	*	*				-113.8	-164	-60.3	36.3	-22.4	0	0	0	110.8
430	T	39.1	Very low	36.4	Very low	131 Å²	131	132.6 Å²	132.6	80%	0.804	79%	0.791	S	S	*	*				150.2	147.4	127.1	-60.5	0	0	0	0	113.7
431	A	38.2	Very low	35.9	Very low	98 Å²	98	134.1 Å²	134.1	81%	0.81	80%	0.799	S	S	*	*			trans	75.5	128.3	168	0	0	0	0	0	119.2
432	A	34.8	Very low	35.4	Very low	95 Å²	95	134.6 Å²	134.6	79%	0.785	80%	0.804	S	S	*	*			trans	-122.3	-168.3	168.2	0	0	0	0	0	108.1
433	P	41.3	Very low	34.8	Very low	120 Å²	120	131 Å²	131	78%	0.779	79%	0.794	S	S	*	*				-149.5	171.3	54.7	41.6	-21	0	0	0	118.3
434	A	33.5	Very low	34.7	Very low	102 Å²	102	129.2 Å²	129.2	84%	0.843	79%	0.793	S	S	*	*			trans	59.8	85.9	145.1	0	0	0	0	0	120.1
435	A	35.7	Very low	34.3	Very low	94 Å²	94	133 Å²	133	78%	0.777	80%	0.797	S	S	*	*			trans	-104.7	155.8	134.9	0	0	0	0	0	108.7
436	V	35	Very low	33.9	Very low	153 Å²	153	131.8 Å²	131.8	93%	0.927	80%	0.801	S	S	*	*			trans	-89.7	109.3	-177	-179.7	0	0	0	0	110
437	E	30.8	Very low	33.6	Very low	183 Å²	183	130.9 Å²	130.9	86%	0.855	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-88.4	156.9	175	-69.2	-175.3	120.5	0	0	112.5
438	A	29.2	Very low	33.4	Very low	84 Å²	84	128.1 Å²	128.1	69%	0.694	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.9	155.7	-177	0	0	0	0	0	112.4
439	P	29.1	Very low	33.1	Very low	127 Å²	127	127.8 Å²	127.8	83%	0.825	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.9	141.8	175	26.9	-34.9	0	0	0	111.9
440	N	28.1	Very low	33.4	Very low	148 Å²	148	123.1 Å²	123.1	79%	0.791	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.5	142.6	-174.8	-66.4	-45.9	0	0	0	113	E442	N440-E442 PolarHBondContact O-N 3.43Å; N440-E442 VanDerWaalsContact O-N 3.17Å
441	Q	30.9	Very low	34.6	Very low	199 Å²	199	122 Å²	122	93%	0.93	74%	0.738	S	S	*	*			trans	-76.5	93.3	161.2	-69.1	-178.6	-14.1	0	0	109.2
442	E	27.6	Very low	36.6	Very low	174 Å²	174	118.4 Å²	118.4	81%	0.813	71%	0.71	S	S	*	*			trans	-69.7	142.8	168.1	-66.1	-159.7	156.4	0	0	111	N440 F444	N440-E442 PolarHBondContact O-N 3.43Å; N440-E442 VanDerWaalsContact O-N 3.17Å; E442-F444 PolarHBondContact O-N 2.9Å
443	G	25.9	Very low	39.2	Very low	62 Å²	62	114.4 Å²	114.4	64%	0.639	68%	0.675	S	S	*	*			trans	-72.7	126.7	-163.9	0	0	0	0	0	114.6	N445	G443-N445 PolarHBondContact O-N 2.87Å
444	F	29.8	Very low	41.6	Very low	195 Å²	195	115.3 Å²	115.3	86%	0.855	66%	0.663	S	S	*	*			trans	-64.5	95.4	161.7	-93.4	-96.3	0	0	0	110	E442 E446	E442-F444 PolarHBondContact O-N 2.9Å; F444-E446 PolarHBondContact O-N 3.48Å
445	N	27	Very low	44.4	Very low	148 Å²	148	112.6 Å²	112.6	79%	0.791	64%	0.637	S	S	*	*			trans	-60	129.7	176.2	-74.2	-60.2	0	0	0	111.6	G443 A447	G443-N445 PolarHBondContact O-N 2.87Å; N445-A447 PolarHBondContact O-N 2.81Å
446	E	29.8	Very low	47.1	Very low	208 Å²	208	111.1 Å²	111.1	97%	0.972	62%	0.618	S	S	*	*			trans	-71.7	57.2	178.4	-66.3	-168.4	104.2	0	0	113.3	F444	F444-E446 PolarHBondContact O-N 3.48Å
447	A	31.2	Very low	49.9	Very low	65 Å²	65	106.2 Å²	106.2	54%	0.537	59%	0.585	S	S	.	*			trans	-144.9	72.2	-175.5	0	0	0	0	0	113.8	R361 N445	R361-A447 PolarHBondContact NH1-O 2.9Å; N445-A447 PolarHBondContact O-N 2.81Å
448	T	34.9	Very low	53	Low	96 Å²	96	100 Å²	100	59%	0.589	56%	0.56	S	S	*	*				173.4	119	116.9	40.3	0	0	0	0	109.9	R361 S450	R361-T448 PolarHBondContact NH1-OG1 2.8Å; R361-T448 VanDerWaalsContact NH1-OG1 3.07Å; R361-T448 PolarHBondContact NH2-OG1 2.83Å; T448-S450 PolarHBondContact O-N 3.47Å
449	C	35.6	Very low	56.2	Low	86 Å²	86	96.3 Å²	96.3	58%	0.581	53%	0.528	S	S	*	.			trans	-78.8	108.3	162.3	-171.4	0	0	0	0	108.6	I393	I393-C449 VanDerWaalsContact CD1-SG 3.53Å
450	S	54.5	Low	59.3	Low	18 Å²	18	97.1 Å²	97.1	13%	0.126	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-70.1	151.7	159.5	46.8	0	0	0	0	108.7	R357 T448 G452 Y453	R357-S450 WeakPolarHBondContact O-CB 3.45Å; T448-S450 PolarHBondContact O-N 3.47Å; S450-G452 PolarHBondContact O-N 2.89Å; S450-Y453 PolarHBondContact O-N 2.92Å; S450-Y453 PolarHBondContact OG-O 2.81Å
451	D	63	Low	62.5	Low	107 Å²	107	92.3 Å²	92.3	57%	0.572	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	89.5	-158.1	-54.6	-71	0	0	0	114.5	T356	T356-D451 HydrophobicContact CG2-CB 4.07Å; T356-D451 VanDerWaalsContact CG2-O 3.29Å; T356-D451 WeakPolarHBondContact CG2-O 3.49Å
452	G	80.2	Confident	65.6	Low	22 Å²	22	83.4 Å²	83.4	23%	0.227	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	15.8	-177.8	0	0	0	0	0	116.3	R392 I393 S450	R392-G452 WeakPolarHBondContact CA-O 3.29Å; I393-G452 PolarHBondContact N-O 3.03Å; S450-G452 PolarHBondContact O-N 2.89Å
453	Y	89.3	Confident	68.9	Low	11 Å²	11	79.7 Å²	79.7	4%	0.043	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.9	178.3	-75.6	-96.1	0	0	0	113.2	T356 I358 I378 W390 Q391 R392 S450 I700	T356-Y453 HydrophobicContact CG2-CD2 4.25Å; I358-Y453 HydrophobicContact CD1-CD1 4.03Å; I358-Y453 HydrophobicContact CD1-CD2 3.94Å; I358-Y453 HydrophobicContact CD1-CG 3.62Å; I358-Y453 HydrophobicContact CG1-CG 4.45Å; I378-Y453 HydrophobicContact CD1-CD1 4.34Å; I378-Y453 HydrophobicContact CD1-CE1 3.85Å; I378-Y453 HydrophobicContact CG1-CE1 4.09Å; W390-Y453 HydrophobicContact CB-CD1 4.36Å; Q391-Y453 WeakPolarHBondContact O-CA 3.5Å; R392-Y453 HydrophobicContact CB-CD1 4.13Å; R392-Y453 HydrophobicContact CB-CE1 3.59Å; R392-Y453 HydrophobicContact CG-CE1 4.1Å; R392-Y453 HydrophobicContact CG-CE2 4.18Å; S450-Y453 PolarHBondContact O-N 2.92Å; S450-Y453 PolarHBondContact OG-O 2.81Å; Y453-I700 HydrophobicContact CD2-CD1 3.92Å; Y453-I700 HydrophobicContact CE1-CD1 4.34Å; Y453-I700 HydrophobicContact CE2-CD1 3.26Å
454	R	91.9	Very high	72.3	Confident	139 Å²	139	77 Å²	77	53%	0.525	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.6	170.6	59.8	177.8	-174.8	174.4	3.5	110.8	W390 Q391 I393 T456	W390-R454 CarbonylContact C-O 3.54Å; W390-R454 VanDerWaalsContact CA-O 3.26Å; W390-R454 WeakPolarHBondContact CA-O 3.32Å; Q391-R454 HydrophobicContact CB-CG 4.47Å; Q391-R454 PolarHBondContact N-O 3.49Å; Q391-R454 PolarHBondContact O-N 2.95Å; I393-R454 HydrophobicContact CD1-CB 4.08Å; I393-R454 HydrophobicContact CD1-CG 4.2Å; I393-R454 HydrophobicContact CG1-CB 4.35Å; I393-R454 HydrophobicContact CG1-CG 3.95Å; R454-T456 HydrophobicContact CG-CG2 3.94Å
455	C	93.3	Very high	75.5	Confident	45 Å²	45	68.5 Å²	68.5	30%	0.304	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.9	163.3	-167.7	0	0	0	0	109	V389 W390 Q457	V389-C455 CarbonylContact O-C 3.53Å; V389-C455 WeakPolarHBondContact O-CA 3.35Å; V389-C455 PolarHBondContact O-SG 3.32Å; W390-C455 HydrophobicContact CD2-CB 4.46Å; W390-C455 HydrophobicContact CE3-CB 3.84Å; W390-C455 HydrophobicContact CH2-CB 4.22Å; W390-C455 HydrophobicContact CZ3-CB 3.71Å; C455-Q457 PolarHBondContact SG-O 2.99Å
456	T	92.8	Very high	78.8	Confident	63 Å²	63	61.4 Å²	61.4	39%	0.387	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	-19.9	179.6	52.8	0	0	0	0	114.1	V389 Q391 R454	V389-T456 PolarHBondContact O-N 3.41Å; V389-T456 PolarHBondContact O-OG1 3Å; Q391-T456 HydrophobicContact CB-CG2 3.48Å; Q391-T456 VanDerWaalsContact CB-CG2 3.48Å; Q391-T456 HydrophobicContact CG-CG2 4.47Å; R454-T456 HydrophobicContact CG-CG2 3.94Å
457	Q	93.6	Very high	82.1	Confident	50 Å²	50	53 Å²	53	23%	0.234	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.2	174	-64.8	170.5	-13.5	0	0	108.7	V389 C455 L459 L490	V389-Q457 HydrophobicContact CB-CB 4.05Å; V389-Q457 HydrophobicContact CG2-CB 4.05Å; V389-Q457 PolarHBondContact N-O 3.49Å; C455-Q457 PolarHBondContact SG-O 2.99Å; Q457-L459 HydrophobicContact CB-CD2 4.23Å; Q457-L490 PolarHBondContact NE2-O 2.92Å; Q457-L490 PolarHBondContact OE1-O 3.08Å
458	V	95.4	Very high	85.3	Confident	52 Å²	52	50 Å²	50	32%	0.315	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.8	162.2	-174.6	0	0	0	0	105.6	T386 K388 E460	T386-V458 HydrophobicContact CG2-CG1 3.85Å; K388-V458 HydrophobicContact CG-CG1 4.24Å; K388-V458 HydrophobicContact CG-CG2 4.23Å; V458-E460 HydrophobicContact CG1-CG 4.14Å
459	L	96	Very high	88.3	Confident	8 Å²	8	45.9 Å²	45.9	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.2	176.4	-45.7	-178.2	0	0	0	108.2	T386 I387 Q457 L476 W488 L490	T386-L459 WeakPolarHBondContact CA-O 3.36Å; I387-L459 HydrophobicContact CB-CB 4.14Å; I387-L459 HydrophobicContact CB-CD1 4.42Å; I387-L459 HydrophobicContact CB-CG 4.45Å; I387-L459 PolarHBondContact N-O 3.44Å; I387-L459 PolarHBondContact O-N 3.2Å; Q457-L459 HydrophobicContact CB-CD2 4.23Å; L459-L476 HydrophobicContact CD1-CD2 3.74Å; L459-W488 HydrophobicContact CB-CE3 4.2Å; L459-W488 HydrophobicContact CB-CZ3 4.16Å; L459-W488 HydrophobicContact CD1-CB 4.41Å; L459-W488 HydrophobicContact CD1-CD2 4.41Å; L459-W488 HydrophobicContact CD1-CE3 4.39Å; L459-W488 HydrophobicContact CD1-CG 4.44Å; L459-L490 HydrophobicContact CD1-CD2 4.41Å
460	E	95.2	Very high	91.3	Very high	144 Å²	144	42.6 Å²	42.6	67%	0.673	24%	0.244	S	C	*	.			trans	-114.3	157.6	-176.5	-64.3	-179	-175.5	0	0	111.1	T386 V458 W488	T386-E460 HydrophobicContact CG2-CG 4.24Å; V458-E460 HydrophobicContact CG1-CG 4.14Å; E460-W488 WeakPolarHBondContact O-CH2 3.47Å; E460-W488 WeakPolarHBondContact O-CZ3 3.4Å
461	G	94	Very high	93.3	Very high	46 Å²	46	42.2 Å²	42.2	47%	0.474	24%	0.24	S	C	.	.			trans	130.7	-17.6	169.2	0	0	0	0	0	115	R486	G461-R486 PolarHBondContact O-NH1 2.92Å; G461-R486 PolarHBondContact O-NH2 2.91Å
462	H	97	Very high	94.7	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.06	23%	0.233	C	C	.	.			trans	-60.3	142.7	160.7	-91.2	-59.4	0	0	0	109.2	V466 S478 S480 D482 T484 R486 W488	H462-V466 HydrophobicContact CB-CG2 4.4Å; H462-S478 PolarHBondContact NE2-OG 2.89Å; H462-S480 WeakPolarHBondContact CE1-CB 3.28Å; H462-S480 WeakPolarHBondContact ND1-CB 3.43Å; H462-D482 WeakPolarHBondContact CA-OD2 3.43Å; H462-D482 IonicContact CE1-OD1 3.56Å; H462-D482 IonicContact CE1-OD2 3Å; H462-D482 IonicContact CG-OD2 2.88Å; H462-D482 IonicContact ND1-OD1 2.65Å; H462-D482 PolarHBondContact ND1-OD1 3.12Å; H462-D482 IonicContact ND1-OD2 3.47Å; H462-D482 PolarHBondContact ND1-OD2 2.79Å; H462-T484 PolarHBondContact CE1-OG1 3.07Å; H462-T484 PolarHBondContact ND1-OG1 2.99Å; H462-R486 PolarHBondContact ND1-NE 2.59Å; H462-W488 AromaticContact CD2-CZ2 3.83Å
463	S	96.6	Very high	95.3	Very high	95 Å²	95	42.6 Å²	42.6	66%	0.664	25%	0.248	S	C	*	.	S	Bend	trans	-109.9	43.4	177.2	66.1	0	0	0	0	110.8	D482	S463-D482 PolarHBondContact N-OD2 3.43Å; S463-D482 WeakPolarHBondContact OG-CB 3.37Å
464	G	96.3	Very high	95.4	Very high	5 Å²	5	46.1 Å²	46.1	5%	0.052	27%	0.268	C	S	.	.	S	Bend	trans	170.7	160.1	-175.1	0	0	0	0	0	111.2	D385 S480 S481	D385-G464 WeakPolarHBondContact CB-O 3.31Å; D385-G464 WeakPolarHBondContact OD1-CA 3.28Å; D385-G464 VanDerWaalsContact OD2-CA 3.23Å; D385-G464 WeakPolarHBondContact OD2-CA 3.16Å; D385-G464 PolarHBondContact OD2-N 2.91Å; G464-S480 PolarHBondContact O-OG 2.77Å; G464-S481 WeakPolarHBondContact CA-OG 3.27Å
465	S	97	Very high	95.6	Very high	17 Å²	17	41.3 Å²	41.3	12%	0.119	25%	0.252	C	S	.	.			trans	-67	140.2	-166.3	-57.7	0	0	0	0	112.5	R383 D385 L467 S480 S481	R383-S465 WeakPolarHBondContact CG-OG 3.31Å; R383-S465 PolarHBondContact O-OG 3.41Å; D385-S465 WeakPolarHBondContact OD1-CA 3.36Å; D385-S465 PolarHBondContact OD1-N 3.18Å; D385-S465 PolarHBondContact OD1-OG 2.95Å; D385-S465 VanDerWaalsContact OD1-OG 3.08Å; S465-L467 WeakPolarHBondContact O-CG 3.38Å; S465-L467 PolarHBondContact O-N 3.09Å; S465-S480 VanDerWaalsContact O-CA 3.29Å; S465-S480 WeakPolarHBondContact O-CA 3.26Å; S465-S480 PolarHBondContact O-OG 2.98Å; S465-S481 PolarHBondContact N-OG 2.85Å; S465-S481 PolarHBondContact O-N 3.31Å
466	V	98	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	91.3	-174	-173.9	0	0	0	0	110.1	Y369 C370 L382 I387 H462	Y369-V466 WeakPolarHBondContact CB-O 3.28Å; C370-V466 PolarHBondContact SG-O 2.76Å; L382-V466 PolarHBondContact O-N 2.96Å; I387-V466 HydrophobicContact CD1-CG1 4.13Å; I387-V466 HydrophobicContact CD1-CG2 4.48Å; I387-V466 HydrophobicContact CG1-CB 4.41Å; I387-V466 HydrophobicContact CG1-CG1 4.08Å; I387-V466 HydrophobicContact CG1-CG2 3.91Å; H462-V466 HydrophobicContact CB-CG2 4.4Å
467	L	98.3	Very high	96	Very high	30 Å²	30	36.2 Å²	36.2	16%	0.157	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-31.2	-171.6	-55.5	-175	0	0	0	113	Y369 S465 G479 A505 L507	Y369-L467 HydrophobicContact CD2-CD2 3.75Å; Y369-L467 HydrophobicContact CE2-CD2 3.82Å; Y369-L467 HydrophobicContact CG-CD2 4.16Å; S465-L467 WeakPolarHBondContact O-CG 3.38Å; S465-L467 PolarHBondContact O-N 3.09Å; L467-G479 PolarHBondContact N-O 2.84Å; L467-A505 HydrophobicContact CD1-CB 4.08Å; L467-L507 HydrophobicContact CD1-CD2 3.68Å
468	C	98.3	Very high	96.2	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150	179.8	63.2	0	0	0	0	112.5	C370 S478 G479 H508	C370-C468 VanDerWaalsContact SG-C 3.56Å; C468-S478 CarbonylContact O-C 3.59Å; C468-S478 WeakPolarHBondContact O-CA 3.4Å; C468-G479 PolarHBondContact N-O 2.65Å; C468-G479 VanDerWaalsContact N-O 3.12Å; C468-G479 PolarHBondContact O-N 2.71Å; C468-H508 VanDerWaalsContact SG-CA 3.56Å
469	L	98.4	Very high	96.4	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158	171	68.7	82	0	0	0	111.6	C370 Q372 V379 I387 L476 I477	C370-L469 HydrophobicContact CB-CG 4.38Å; Q372-L469 HydrophobicContact CB-CD1 3.87Å; V379-L469 HydrophobicContact CG1-CD1 4.42Å; V379-L469 HydrophobicContact CG1-CD2 4.06Å; I387-L469 HydrophobicContact CG2-CD2 4.1Å; L469-L476 HydrophobicContact CB-CD1 4.06Å; L469-L476 HydrophobicContact CD1-CD1 4.13Å; L469-L476 HydrophobicContact CG-CD1 4.49Å; L469-I477 CarbonylContact C-O 3.44Å; L469-I477 VanDerWaalsContact CA-O 3.23Å; L469-I477 WeakPolarHBondContact CA-O 3.41Å
470	Q	98.2	Very high	96.5	Very high	17 Å²	17	31 Å²	31	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.5	162.9	-177.4	-178.1	-29.3	0	0	109.3	Q372 I477 L509 F511	Q372-Q470 VanDerWaalsContact OE1-CA 3.29Å; Q470-I477 PolarHBondContact N-O 3.14Å; Q470-I477 PolarHBondContact O-N 2.89Å; Q470-L509 HydrophobicContact CB-CD1 3.91Å; Q470-F511 PolarHBondContact NE2-O 3.14Å
471	Y	96.3	Very high	96.6	Very high	11 Å²	11	26.6 Å²	26.6	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.3	167.2	71.4	-91.4	0	0	0	113.2	Q372 Y373 D374 V379 L475 L490	Q372-Y471 HydrophobicContact CB-CD1 3.98Å; Q372-Y471 HydrophobicContact CB-CE1 3.68Å; Q372-Y471 VanDerWaalsContact CD-CD1 3.48Å; Q372-Y471 HydrophobicContact CG-CD1 3.92Å; Q372-Y471 HydrophobicContact CG-CE1 3.5Å; Q372-Y471 PolarHBondContact NE2-O 2.82Å; Y373-Y471 VanDerWaalsContact C-OH 3.28Å; D374-Y471 WeakPolarHBondContact CB-OH 3.46Å; D374-Y471 PolarHBondContact N-OH 2.9Å; D374-Y471 VanDerWaalsContact N-OH 3.12Å; D374-Y471 WeakPolarHBondContact OD2-CE2 3.25Å; D374-Y471 PolarHBondContact OD2-OH 2.73Å; V379-Y471 HydrophobicContact CB-CD1 4.08Å; V379-Y471 HydrophobicContact CB-CE1 3.98Å; V379-Y471 HydrophobicContact CG2-CD1 3.84Å; V379-Y471 HydrophobicContact CG2-CE1 3.61Å; Y471-L475 CarbonylContact C-O 3.53Å; Y471-L475 WeakPolarHBondContact CA-O 3.2Å; Y471-L475 WeakPolarHBondContact CB-O 3.3Å; Y471-L490 HydrophobicContact CD2-CD1 3.98Å; Y471-L490 HydrophobicContact CG-CD1 3.87Å
472	I	93.8	Very high	96.8	Very high	84 Å²	84	25.5 Å²	25.5	43%	0.431	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118.9	170.2	-56.5	-174.1	0	0	0	107.6	N474 L475 F511	I472-N474 PolarHBondContact O-N 2.89Å; I472-L475 PolarHBondContact N-O 3Å; I472-L475 PolarHBondContact O-N 2.83Å; I472-L475 VanDerWaalsContact O-N 3.11Å; I472-F511 HydrophobicContact CD1-CD1 3.6Å; I472-F511 HydrophobicContact CD1-CE1 3.94Å; I472-F511 HydrophobicContact CG1-CD1 4.2Å
473	G	91.4	Very high	96.9	Very high	53 Å²	53	27 Å²	27	55%	0.546	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-122.7	-169.6	0	0	0	0	0	110.7
474	N	92.8	Very high	97	Very high	85 Å²	85	23 Å²	23	46%	0.455	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-13.7	175.1	-64.8	-7.1	0	0	0	113.6	I472 L476 L490	I472-N474 PolarHBondContact O-N 2.89Å; N474-L476 PolarHBondContact O-N 2.77Å; N474-L490 WeakPolarHBondContact O-CB 3.26Å; N474-L490 WeakPolarHBondContact O-CG 3.3Å; N474-L490 PolarHBondContact O-N 2.82Å
475	L	94.9	Very high	97.1	Very high	38 Å²	38	23 Å²	23	20%	0.199	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.6	178.8	179.6	64	0	0	0	110.1	Y471 I472 I477 L487 L496 F511 P534	Y471-L475 CarbonylContact C-O 3.53Å; Y471-L475 WeakPolarHBondContact CA-O 3.2Å; Y471-L475 WeakPolarHBondContact CB-O 3.3Å; I472-L475 PolarHBondContact N-O 3Å; I472-L475 PolarHBondContact O-N 2.83Å; I472-L475 VanDerWaalsContact O-N 3.11Å; L475-I477 HydrophobicContact CG-CG1 4.37Å; L475-L487 HydrophobicContact CD1-CB 4.26Å; L475-L487 HydrophobicContact CD1-CD2 4.3Å; L475-L487 HydrophobicContact CD1-CG 4.48Å; L475-L496 HydrophobicContact CD1-CD1 3.99Å; L475-F511 HydrophobicContact CD2-CE1 4.29Å; L475-P534 HydrophobicContact CD1-CB 4.48Å; L475-P534 HydrophobicContact CD1-CG 4.4Å
476	L	97.2	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.7	169.8	170.6	71.1	0	0	0	109.6	V379 I387 L459 L469 N474 L487 W488 L490	V379-L476 HydrophobicContact CG1-CD1 4.14Å; V379-L476 HydrophobicContact CG1-CD2 4.32Å; I387-L476 HydrophobicContact CD1-CD2 3.88Å; I387-L476 HydrophobicContact CG2-CD2 4.18Å; L459-L476 HydrophobicContact CD1-CD2 3.74Å; L469-L476 HydrophobicContact CB-CD1 4.06Å; L469-L476 HydrophobicContact CD1-CD1 4.13Å; L469-L476 HydrophobicContact CG-CD1 4.49Å; N474-L476 PolarHBondContact O-N 2.77Å; L476-L487 CarbonylContact O-C 3.51Å; L476-L487 WeakPolarHBondContact O-CA 3.42Å; L476-W488 HydrophobicContact CB-CB 4.22Å; L476-W488 HydrophobicContact CD2-CB 4.26Å; L476-W488 HydrophobicContact CD2-CG 4.16Å; L476-W488 PolarHBondContact N-O 3.28Å; L476-W488 PolarHBondContact O-N 2.84Å; L476-L490 HydrophobicContact CB-CD1 4.19Å; L476-L490 HydrophobicContact CB-CD2 4.03Å; L476-L490 HydrophobicContact CB-CG 3.87Å; L476-L490 HydrophobicContact CD2-CD2 3.94Å
477	I	97.9	Very high	97.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.8	171.5	-43.2	-171.3	0	0	0	108.1	L469 Q470 L475 V485 R486 L487 L509 F511 L516	L469-I477 CarbonylContact C-O 3.44Å; L469-I477 VanDerWaalsContact CA-O 3.23Å; L469-I477 WeakPolarHBondContact CA-O 3.41Å; Q470-I477 PolarHBondContact N-O 3.14Å; Q470-I477 PolarHBondContact O-N 2.89Å; L475-I477 HydrophobicContact CG-CG1 4.37Å; I477-V485 HydrophobicContact CG2-CG1 3.63Å; I477-R486 CarbonylContact C-O 3.56Å; I477-R486 WeakPolarHBondContact CA-O 3.41Å; I477-L487 HydrophobicContact CD1-CG 4.48Å; I477-L487 HydrophobicContact CG1-CG 4.19Å; I477-L487 HydrophobicContact CG2-CD1 4.07Å; I477-L487 HydrophobicContact CG2-CG 4.28Å; I477-L509 HydrophobicContact CB-CD1 4.24Å; I477-L509 HydrophobicContact CG2-CD1 4.28Å; I477-L509 HydrophobicContact CG2-CD2 3.95Å; I477-F511 HydrophobicContact CD1-CB 3.89Å; I477-F511 HydrophobicContact CD1-CD1 3.96Å; I477-F511 HydrophobicContact CD1-CD2 4.3Å; I477-F511 HydrophobicContact CD1-CG 3.79Å; I477-L516 HydrophobicContact CD1-CD1 4.37Å; I477-L516 HydrophobicContact CG2-CD1 4.36Å; I477-L516 HydrophobicContact CG2-CD2 4.47Å
478	S	98.4	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.7	179.9	60.6	0	0	0	0	112.3	H462 C468 V485 R486 W488	H462-S478 PolarHBondContact NE2-OG 2.89Å; C468-S478 CarbonylContact O-C 3.59Å; C468-S478 WeakPolarHBondContact O-CA 3.4Å; S478-V485 CarbonylContact O-C 3.55Å; S478-V485 VanDerWaalsContact O-CA 3.27Å; S478-V485 WeakPolarHBondContact O-CA 3.48Å; S478-V485 WeakPolarHBondContact O-CG1 3.37Å; S478-R486 PolarHBondContact N-O 2.95Å; S478-R486 PolarHBondContact O-N 3.39Å; S478-W488 PolarHBondContact OG-NE1 2.81Å
479	G	98.4	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.6	173.9	0	0	0	0	0	110.6	L467 C468	L467-G479 PolarHBondContact N-O 2.84Å; C468-G479 PolarHBondContact N-O 2.65Å; C468-G479 VanDerWaalsContact N-O 3.12Å; C468-G479 PolarHBondContact O-N 2.71Å
480	S	98.5	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	167.1	-168.2	164.3	0	0	0	0	113.1	H462 G464 S465 D482 T483 T484 V506	H462-S480 WeakPolarHBondContact CE1-CB 3.28Å; H462-S480 WeakPolarHBondContact ND1-CB 3.43Å; G464-S480 PolarHBondContact O-OG 2.77Å; S465-S480 VanDerWaalsContact O-CA 3.29Å; S465-S480 WeakPolarHBondContact O-CA 3.26Å; S465-S480 PolarHBondContact O-OG 2.98Å; S480-D482 VanDerWaalsContact CB-OD1 3.28Å; S480-D482 WeakPolarHBondContact CB-OD1 3.34Å; S480-D482 PolarHBondContact O-N 2.93Å; S480-D482 PolarHBondContact OG-N 3.22Å; S480-D482 PolarHBondContact OG-OD1 3.24Å; S480-T483 PolarHBondContact O-N 2.68Å; S480-T484 PolarHBondContact N-O 3.47Å; S480-V506 PolarHBondContact O-N 2.85Å
481	S	98	Very high	96.5	Very high	52 Å²	52	26.7 Å²	26.7	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.5	164.8	69.3	0	0	0	0	114.2	G464 S465 T483	G464-S481 WeakPolarHBondContact CA-OG 3.27Å; S465-S481 PolarHBondContact N-OG 2.85Å; S465-S481 PolarHBondContact O-N 3.31Å; S481-T483 PolarHBondContact O-N 3.19Å
482	D	97.8	Very high	96.3	Very high	22 Å²	22	30.5 Å²	30.5	12%	0.118	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	6.2	172.6	77.5	2.2	0	0	0	114.5	H462 S463 S480 T484 R486	H462-D482 WeakPolarHBondContact CA-OD2 3.43Å; H462-D482 IonicContact CE1-OD1 3.56Å; H462-D482 IonicContact CE1-OD2 3Å; H462-D482 IonicContact CG-OD2 2.88Å; H462-D482 IonicContact ND1-OD1 2.65Å; H462-D482 PolarHBondContact ND1-OD1 3.12Å; H462-D482 IonicContact ND1-OD2 3.47Å; H462-D482 PolarHBondContact ND1-OD2 2.79Å; S463-D482 PolarHBondContact N-OD2 3.43Å; S463-D482 WeakPolarHBondContact OG-CB 3.37Å; S480-D482 VanDerWaalsContact CB-OD1 3.28Å; S480-D482 WeakPolarHBondContact CB-OD1 3.34Å; S480-D482 PolarHBondContact O-N 2.93Å; S480-D482 PolarHBondContact OG-N 3.22Å; S480-D482 PolarHBondContact OG-OD1 3.24Å; D482-T484 VanDerWaalsContact CG-OG1 3.25Å; D482-T484 PolarHBondContact O-N 3.32Å; D482-T484 VanDerWaalsContact O-N 3.14Å; D482-T484 WeakPolarHBondContact OD1-CA 3.37Å; D482-T484 VanDerWaalsContact OD1-CB 3.28Å; D482-T484 WeakPolarHBondContact OD1-CB 3.23Å; D482-T484 WeakPolarHBondContact OD1-CG2 3.46Å; D482-T484 PolarHBondContact OD1-N 3.1Å; D482-T484 PolarHBondContact OD1-OG1 2.81Å; D482-T484 PolarHBondContact OD2-OG1 3.38Å; D482-R486 IonicContact OD2-CZ 2.75Å; D482-R486 IonicContact OD2-NE 3.41Å; D482-R486 IonicContact OD2-NH2 3.4Å; D482-R486 PolarHBondContact OD2-NH2 2.89Å; D482-R486 VanDerWaalsContact OD2-NH2 3.15Å
483	T	98.2	Very high	96.3	Very high	44 Å²	44	27.4 Å²	27.4	27%	0.27	18%	0.175	S	C	.	.	S	Bend	trans	65.9	-3	-176.7	99.4	0	0	0	0	115.9	S480 S481 H502 V506	S480-T483 PolarHBondContact O-N 2.68Å; S481-T483 PolarHBondContact O-N 3.19Å; T483-H502 VanDerWaalsContact CB-O 3.25Å; T483-H502 WeakPolarHBondContact CB-O 3.4Å; T483-H502 PolarHBondContact OG1-O 2.91Å; T483-V506 WeakPolarHBondContact O-CG2 3.03Å
484	T	98.3	Very high	96.5	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.08	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	153.3	177.9	77.5	0	0	0	0	112.5	H462 S480 D482 R486 V498 N500	H462-T484 PolarHBondContact CE1-OG1 3.07Å; H462-T484 PolarHBondContact ND1-OG1 2.99Å; S480-T484 PolarHBondContact N-O 3.47Å; D482-T484 VanDerWaalsContact CG-OG1 3.25Å; D482-T484 PolarHBondContact O-N 3.32Å; D482-T484 VanDerWaalsContact O-N 3.14Å; D482-T484 WeakPolarHBondContact OD1-CA 3.37Å; D482-T484 VanDerWaalsContact OD1-CB 3.28Å; D482-T484 WeakPolarHBondContact OD1-CB 3.23Å; D482-T484 WeakPolarHBondContact OD1-CG2 3.46Å; D482-T484 PolarHBondContact OD1-N 3.1Å; D482-T484 PolarHBondContact OD1-OG1 2.81Å; D482-T484 PolarHBondContact OD2-OG1 3.38Å; T484-R486 PolarHBondContact OG1-NE 2.71Å; T484-R486 VanDerWaalsContact OG1-NE 3.14Å; T484-V498 HydrophobicContact CG2-CG1 4.18Å; T484-N500 VanDerWaalsContact CG2-OD1 3.26Å; T484-N500 WeakPolarHBondContact CG2-OD1 3.37Å
485	V	98.3	Very high	96.6	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.2	161.3	179.6	0	0	0	0	108.4	I477 S478 I499 V506 L509 T518	I477-V485 HydrophobicContact CG2-CG1 3.63Å; S478-V485 CarbonylContact O-C 3.55Å; S478-V485 VanDerWaalsContact O-CA 3.27Å; S478-V485 WeakPolarHBondContact O-CA 3.48Å; S478-V485 WeakPolarHBondContact O-CG1 3.37Å; V485-I499 HydrophobicContact CB-CB 4.22Å; V485-I499 HydrophobicContact CB-CD1 4.37Å; V485-I499 HydrophobicContact CG1-CD1 4.28Å; V485-I499 PolarHBondContact N-O 3.26Å; V485-I499 PolarHBondContact O-N 3.32Å; V485-V506 HydrophobicContact CG2-CB 4.3Å; V485-V506 HydrophobicContact CG2-CG1 3.89Å; V485-V506 HydrophobicContact CG2-CG2 3.84Å; V485-L509 HydrophobicContact CG1-CD2 4.12Å; V485-T518 HydrophobicContact CG1-CG2 4.48Å; V485-T518 HydrophobicContact CG2-CG2 3.99Å
486	R	97.9	Very high	96.7	Very high	38 Å²	38	27.3 Å²	27.3	14%	0.143	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.2	-174.5	-63.4	-170.7	-171.6	-156	16.8	111.6	G461 H462 I477 S478 D482 T484 W488 V498	G461-R486 PolarHBondContact O-NH1 2.92Å; G461-R486 PolarHBondContact O-NH2 2.91Å; H462-R486 PolarHBondContact ND1-NE 2.59Å; I477-R486 CarbonylContact C-O 3.56Å; I477-R486 WeakPolarHBondContact CA-O 3.41Å; S478-R486 PolarHBondContact N-O 2.95Å; S478-R486 PolarHBondContact O-N 3.39Å; D482-R486 IonicContact OD2-CZ 2.75Å; D482-R486 IonicContact OD2-NE 3.41Å; D482-R486 IonicContact OD2-NH2 3.4Å; D482-R486 PolarHBondContact OD2-NH2 2.89Å; D482-R486 VanDerWaalsContact OD2-NH2 3.15Å; T484-R486 PolarHBondContact OG1-NE 2.71Å; T484-R486 VanDerWaalsContact OG1-NE 3.14Å; R486-W488 HydrophobicContact CB-CZ2 3.92Å; R486-W488 HydrophobicContact CG-CZ2 4.48Å; R486-V498 HydrophobicContact CG-CG1 4.13Å; R486-V498 HydrophobicContact CG-CG2 4.13Å
487	L	97.4	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137	175	-75.1	72.7	0	0	0	108.3	L475 L476 I477 C495 L496 N497 I499 M530 P534	L475-L487 HydrophobicContact CD1-CB 4.26Å; L475-L487 HydrophobicContact CD1-CD2 4.3Å; L475-L487 HydrophobicContact CD1-CG 4.48Å; L476-L487 CarbonylContact O-C 3.51Å; L476-L487 WeakPolarHBondContact O-CA 3.42Å; I477-L487 HydrophobicContact CD1-CG 4.48Å; I477-L487 HydrophobicContact CG1-CG 4.19Å; I477-L487 HydrophobicContact CG2-CD1 4.07Å; I477-L487 HydrophobicContact CG2-CG 4.28Å; L487-C495 CarbonylContact O-C 3.58Å; L487-C495 WeakPolarHBondContact O-CA 3.42Å; L487-C495 PolarHBondContact O-SG 3.37Å; L487-C495 VanDerWaalsContact O-SG 3.41Å; L487-L496 HydrophobicContact CB-CB 4.43Å; L487-L496 PolarHBondContact O-N 3.08Å; L487-N497 HydrophobicContact CB-CB 4.25Å; L487-N497 PolarHBondContact N-O 2.99Å; L487-I499 HydrophobicContact CD1-CD1 3.74Å; L487-I499 HydrophobicContact CD1-CG1 4.3Å; L487-M530 HydrophobicContact CD2-CE 3.5Å; L487-M530 HydrophobicContact CD2-SD 4.26Å; L487-P534 HydrophobicContact CD2-CB 4.19Å
488	W	97.2	Very high	96.6	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151	-176.1	-40.9	74.5	0	0	0	110.3	I387 L459 E460 H462 L476 S478 R486 C494 C495	I387-W488 HydrophobicContact CD1-CZ2 4.45Å; L459-W488 HydrophobicContact CB-CE3 4.2Å; L459-W488 HydrophobicContact CB-CZ3 4.16Å; L459-W488 HydrophobicContact CD1-CB 4.41Å; L459-W488 HydrophobicContact CD1-CD2 4.41Å; L459-W488 HydrophobicContact CD1-CE3 4.39Å; L459-W488 HydrophobicContact CD1-CG 4.44Å; E460-W488 WeakPolarHBondContact O-CH2 3.47Å; E460-W488 WeakPolarHBondContact O-CZ3 3.4Å; H462-W488 AromaticContact CD2-CZ2 3.83Å; L476-W488 HydrophobicContact CB-CB 4.22Å; L476-W488 HydrophobicContact CD2-CB 4.26Å; L476-W488 HydrophobicContact CD2-CG 4.16Å; L476-W488 PolarHBondContact N-O 3.28Å; L476-W488 PolarHBondContact O-N 2.84Å; S478-W488 PolarHBondContact OG-NE1 2.81Å; R486-W488 HydrophobicContact CB-CZ2 3.92Å; R486-W488 HydrophobicContact CG-CZ2 4.48Å; W488-C494 WeakPolarHBondContact CA-O 3.39Å; W488-C495 HydrophobicContact CD2-CB 4.25Å; W488-C495 HydrophobicContact CE3-CB 3.7Å; W488-C495 HydrophobicContact CH2-CB 4.47Å; W488-C495 HydrophobicContact CZ3-CB 3.82Å
489	D	96	Very high	96.5	Very high	26 Å²	26	32.2 Å²	32.2	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.1	165.5	164.3	36.6	0	0	0	109.8	S491 T492 G493 C494 L496	D489-S491 PolarHBondContact O-N 2.96Å; D489-S491 WeakPolarHBondContact OD1-CB 3.39Å; D489-S491 PolarHBondContact OD1-N 2.95Å; D489-S491 PolarHBondContact OD1-OG 2.84Å; D489-S491 PolarHBondContact OD2-OG 2.84Å; D489-T492 VanDerWaalsContact OD2-CB 3.29Å; D489-T492 WeakPolarHBondContact OD2-CB 3.49Å; D489-T492 VanDerWaalsContact OD2-CG2 3.25Å; D489-T492 WeakPolarHBondContact OD2-CG2 3.4Å; D489-T492 PolarHBondContact OD2-N 2.96Å; D489-T492 PolarHBondContact OD2-OG1 2.97Å; D489-G493 VanDerWaalsContact O-CA 3.22Å; D489-G493 WeakPolarHBondContact O-CA 3.48Å; D489-G493 PolarHBondContact O-N 3.05Å; D489-C494 PolarHBondContact N-O 2.79Å; D489-L496 HydrophobicContact CB-CD1 4.02Å; D489-L496 HydrophobicContact CB-CD2 3.98Å; D489-L496 HydrophobicContact CB-CG 4.24Å
490	L	94	Very high	96.4	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.063	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.7	177.4	-69.7	170.4	0	0	0	113.8	V379 V389 Q457 L459 Y471 N474 L476	V379-L490 HydrophobicContact CG2-CD1 4.45Å; V379-L490 HydrophobicContact CG2-CD2 4.3Å; V389-L490 HydrophobicContact CG2-CD2 4.21Å; Q457-L490 PolarHBondContact NE2-O 2.92Å; Q457-L490 PolarHBondContact OE1-O 3.08Å; L459-L490 HydrophobicContact CD1-CD2 4.41Å; Y471-L490 HydrophobicContact CD2-CD1 3.98Å; Y471-L490 HydrophobicContact CG-CD1 3.87Å; N474-L490 WeakPolarHBondContact O-CB 3.26Å; N474-L490 WeakPolarHBondContact O-CG 3.3Å; N474-L490 PolarHBondContact O-N 2.82Å; L476-L490 HydrophobicContact CB-CD1 4.19Å; L476-L490 HydrophobicContact CB-CD2 4.03Å; L476-L490 HydrophobicContact CB-CG 3.87Å; L476-L490 HydrophobicContact CD2-CD2 3.94Å
491	S	93.4	Very high	96.3	Very high	74 Å²	74	41.4 Å²	41.4	52%	0.517	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-40	177.2	69.3	0	0	0	0	112.8	D489	D489-S491 PolarHBondContact O-N 2.96Å; D489-S491 WeakPolarHBondContact OD1-CB 3.39Å; D489-S491 PolarHBondContact OD1-N 2.95Å; D489-S491 PolarHBondContact OD1-OG 2.84Å; D489-S491 PolarHBondContact OD2-OG 2.84Å
492	T	93.7	Very high	96.2	Very high	90 Å²	90	39.2 Å²	39.2	55%	0.552	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-18.2	175.7	58.6	0	0	0	0	114.7	D489 C494	D489-T492 VanDerWaalsContact OD2-CB 3.29Å; D489-T492 WeakPolarHBondContact OD2-CB 3.49Å; D489-T492 VanDerWaalsContact OD2-CG2 3.25Å; D489-T492 WeakPolarHBondContact OD2-CG2 3.4Å; D489-T492 PolarHBondContact OD2-N 2.96Å; D489-T492 PolarHBondContact OD2-OG1 2.97Å; T492-C494 PolarHBondContact O-N 2.96Å; T492-C494 WeakPolarHBondContact OG1-CB 3.45Å; T492-C494 PolarHBondContact OG1-N 2.82Å
493	G	93.4	Very high	96.2	Very high	19 Å²	19	42.1 Å²	42.1	20%	0.196	26%	0.256	C	S	.	.			trans	76.1	-1.3	-169	0	0	0	0	0	114.5	D489	D489-G493 VanDerWaalsContact O-CA 3.22Å; D489-G493 WeakPolarHBondContact O-CA 3.48Å; D489-G493 PolarHBondContact O-N 3.05Å
494	C	95	Very high	96.2	Very high	71 Å²	71	43.1 Å²	43.1	48%	0.48	26%	0.258	S	S	.	.			trans	-75.1	139.4	-173.4	-67.8	0	0	0	0	112.7	W488 D489 T492	W488-C494 WeakPolarHBondContact CA-O 3.39Å; D489-C494 PolarHBondContact N-O 2.79Å; T492-C494 PolarHBondContact O-N 2.96Å; T492-C494 WeakPolarHBondContact OG1-CB 3.45Å; T492-C494 PolarHBondContact OG1-N 2.82Å
495	C	95.7	Very high	96.2	Very high	54 Å²	54	43.2 Å²	43.2	37%	0.365	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.8	167.1	-170.3	0	0	0	0	109.9	L487 W488	L487-C495 CarbonylContact O-C 3.58Å; L487-C495 WeakPolarHBondContact O-CA 3.42Å; L487-C495 PolarHBondContact O-SG 3.37Å; L487-C495 VanDerWaalsContact O-SG 3.41Å; W488-C495 HydrophobicContact CD2-CB 4.25Å; W488-C495 HydrophobicContact CE3-CB 3.7Å; W488-C495 HydrophobicContact CH2-CB 4.47Å; W488-C495 HydrophobicContact CZ3-CB 3.82Å
496	L	95.3	Very high	96.2	Very high	50 Å²	50	43 Å²	43	26%	0.262	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-36.1	-173.1	-54.9	176.5	0	0	0	112.5	L475 L487 D489 P534 K535	L475-L496 HydrophobicContact CD1-CD1 3.99Å; L487-L496 HydrophobicContact CB-CB 4.43Å; L487-L496 PolarHBondContact O-N 3.08Å; D489-L496 HydrophobicContact CB-CD1 4.02Å; D489-L496 HydrophobicContact CB-CD2 3.98Å; D489-L496 HydrophobicContact CB-CG 4.24Å; L496-P534 HydrophobicContact CB-CB 4.06Å; L496-P534 HydrophobicContact CD1-CB 3.87Å; L496-P534 HydrophobicContact CD1-CG 3.89Å; L496-K535 WeakPolarHBondContact O-CE 3.47Å; L496-K535 WeakPolarHBondContact O-CG 3.5Å
497	N	95.9	Very high	96.3	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.193	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	151.8	-176.1	-165.7	10.2	0	0	0	111.1	L487 P534 K535 V537	L487-N497 HydrophobicContact CB-CB 4.25Å; L487-N497 PolarHBondContact N-O 2.99Å; N497-P534 VanDerWaalsContact CB-O 3.25Å; N497-P534 WeakPolarHBondContact CB-O 3.35Å; N497-P534 PolarHBondContact ND2-O 3.04Å; N497-K535 HydrophobicContact CB-CG 4.46Å; N497-V537 WeakPolarHBondContact ND2-CG2 3.49Å
498	V	97	Very high	96.3	Very high	51 Å²	51	43.4 Å²	43.4	31%	0.309	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.8	178.2	-176.1	0	0	0	0	108.8	T484 R486	T484-V498 HydrophobicContact CG2-CG1 4.18Å; R486-V498 HydrophobicContact CG-CG1 4.13Å; R486-V498 HydrophobicContact CG-CG2 4.13Å
499	I	97	Very high	96.4	Very high	17 Å²	17	43.3 Å²	43.3	9%	0.087	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.3	179.8	-54.8	165.1	0	0	0	108.2	V485 L487 L516 W528 V537	V485-I499 HydrophobicContact CB-CB 4.22Å; V485-I499 HydrophobicContact CB-CD1 4.37Å; V485-I499 HydrophobicContact CG1-CD1 4.28Å; V485-I499 PolarHBondContact N-O 3.26Å; V485-I499 PolarHBondContact O-N 3.32Å; L487-I499 HydrophobicContact CD1-CD1 3.74Å; L487-I499 HydrophobicContact CD1-CG1 4.3Å; I499-L516 HydrophobicContact CD1-CD2 4.04Å; I499-W528 HydrophobicContact CG2-CE3 4.33Å; I499-W528 HydrophobicContact CG2-CH2 3.42Å; I499-W528 VanDerWaalsContact CG2-CH2 3.42Å; I499-W528 HydrophobicContact CG2-CZ2 3.79Å; I499-W528 HydrophobicContact CG2-CZ3 3.71Å; I499-V537 HydrophobicContact CD1-CB 4.43Å; I499-V537 HydrophobicContact CD1-CG1 3.81Å; I499-V537 HydrophobicContact CG1-CG1 4.46Å
500	N	95.8	Very high	96.5	Very high	118 Å²	118	45 Å²	45	63%	0.631	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.7	177.3	-60.4	-52	0	0	0	108.8	T484	T484-N500 VanDerWaalsContact CG2-OD1 3.26Å; T484-N500 WeakPolarHBondContact CG2-OD1 3.37Å
501	H	96.7	Very high	96.6	Very high	74 Å²	74	45.5 Å²	45.5	34%	0.343	27%	0.269	S	S	.	.			trans	-158.9	-47.1	-176.4	169	-86.5	0	0	0	113	W528	H501-W528 HydrophobicContact CB-CH2 3.57Å; H501-W528 HydrophobicContact CB-CZ2 3.91Å; H501-W528 AromaticContact CG-CH2 3.65Å; H501-W528 AromaticContact CG-CZ2 3.83Å; H501-W528 AromaticContact ND1-CZ2 3.93Å
502	H	97.3	Very high	96.6	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.032	26%	0.26	C	S	.	.			trans	-67.3	136.8	-180	-79.4	-61	0	0	0	111	T483 E504 V506 T518 S520 D522 S524	T483-H502 VanDerWaalsContact CB-O 3.25Å; T483-H502 WeakPolarHBondContact CB-O 3.4Å; T483-H502 PolarHBondContact OG1-O 2.91Å; H502-E504 VanDerWaalsContact C-N 3.33Å; H502-V506 HydrophobicContact CB-CG2 4.09Å; H502-T518 PolarHBondContact NE2-OG1 3.45Å; H502-S520 VanDerWaalsContact ND1-CB 3.27Å; H502-S520 WeakPolarHBondContact ND1-CB 3.42Å; H502-D522 WeakPolarHBondContact CA-OD2 3.48Å; H502-D522 WeakPolarHBondContact CB-OD2 3.35Å; H502-D522 IonicContact CG-OD2 2.73Å; H502-D522 IonicContact ND1-OD1 2.58Å; H502-D522 IonicContact ND1-OD2 2.77Å; H502-D522 PolarHBondContact ND1-OD2 2.88Å; H502-S524 PolarHBondContact CE1-OG 2.98Å; H502-S524 VanDerWaalsContact CE1-OG 3.24Å; H502-S524 PolarHBondContact ND1-OG 3.11Å
503	A	97.1	Very high	96.4	Very high	82 Å²	82	46.5 Å²	46.5	68%	0.678	26%	0.259	S	S	*	.	S	Bend	trans	-83.5	-13.1	-177.4	0	0	0	0	0	112.7	D522	A503-D522 HydrophobicContact CB-CB 4.18Å; A503-D522 PolarHBondContact N-OD2 3.48Å
504	E	98.4	Very high	96.4	Very high	65 Å²	65	50.2 Å²	50.2	30%	0.304	27%	0.274	S	S	.	.	S	Bend	trans	-142	172.3	174.9	-58.9	-168.2	-142	0	0	110.9	H502 V506 S520 K521 D522	H502-E504 VanDerWaalsContact C-N 3.33Å; E504-V506 PolarHBondContact O-N 2.8Å; E504-S520 VanDerWaalsContact C-OG 3.3Å; E504-S520 PolarHBondContact O-OG 3.13Å; E504-K521 HydrophobicContact CB-CB 3.89Å; E504-K521 HydrophobicContact CB-CG 4.5Å; E504-K521 VanDerWaalsContact OE2-CD 3.31Å; E504-K521 WeakPolarHBondContact OE2-CD 3.49Å; E504-K521 WeakPolarHBondContact OE2-CE 3.42Å; E504-K521 VanDerWaalsContact OE2-CG 3.22Å; E504-K521 WeakPolarHBondContact OE2-CG 3.49Å; E504-K521 IonicContact OE2-NZ 3.83Å; E504-K521 PolarHBondContact OE2-NZ 2.92Å; E504-D522 HydrophobicContact CB-CB 4.08Å; E504-D522 HydrophobicContact CG-CB 4.13Å
505	A	98.3	Very high	96.4	Very high	15 Å²	15	47.9 Å²	47.9	12%	0.124	26%	0.256	C	S	.	.			trans	-37.8	128	178.8	0	0	0	0	0	114.9	L467 L507 S520 K521	L467-A505 HydrophobicContact CD1-CB 4.08Å; A505-L507 HydrophobicContact CB-CD2 4.13Å; A505-L507 PolarHBondContact O-N 2.76Å; A505-S520 WeakPolarHBondContact O-CA 3.31Å; A505-S520 PolarHBondContact O-OG 2.78Å; A505-S520 VanDerWaalsContact O-OG 3.06Å; A505-K521 HydrophobicContact CB-CB 4.45Å; A505-K521 PolarHBondContact O-N 2.86Å
506	V	98.6	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.3	176.6	-173.2	0	0	0	0	108.6	S480 T483 V485 H502 E504	S480-V506 PolarHBondContact O-N 2.85Å; T483-V506 WeakPolarHBondContact O-CG2 3.03Å; V485-V506 HydrophobicContact CG2-CB 4.3Å; V485-V506 HydrophobicContact CG2-CG1 3.89Å; V485-V506 HydrophobicContact CG2-CG2 3.84Å; H502-V506 HydrophobicContact CB-CG2 4.09Å; E504-V506 PolarHBondContact O-N 2.8Å
507	L	98.6	Very high	96.6	Very high	32 Å²	32	42.9 Å²	42.9	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-31	-169.3	-58	-174.5	0	0	0	112.3	L467 A505 C519 K521 A549 V550	L467-L507 HydrophobicContact CD1-CD2 3.68Å; A505-L507 HydrophobicContact CB-CD2 4.13Å; A505-L507 PolarHBondContact O-N 2.76Å; L507-C519 PolarHBondContact N-O 2.93Å; L507-K521 HydrophobicContact CD1-CB 4.03Å; L507-K521 HydrophobicContact CD2-CB 4.35Å; L507-K521 HydrophobicContact CG-CB 4.25Å; L507-A549 HydrophobicContact CD1-CB 4Å; L507-V550 WeakPolarHBondContact CD1-O 3.47Å
508	H	98.6	Very high	96.8	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.06	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	152.8	178.4	-157.9	-103.4	0	0	0	112.1	C468 C519 V553 R681	C468-H508 VanDerWaalsContact SG-CA 3.56Å; H508-C519 PolarHBondContact N-O 2.8Å; H508-C519 PolarHBondContact O-N 3.19Å; H508-V553 PolarHBondContact CE1-O 3.02Å; H508-V553 PolarHBondContact ND1-N 2.69Å; H508-V553 PolarHBondContact ND1-O 2.96Å; H508-R681 PolarHBondContact NE2-NH1 2.75Å; H508-R681 PolarHBondContact NE2-NH2 3.03Å
509	L	98.3	Very high	96.8	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.8	173.4	68.5	83.4	0	0	0	111	Q470 I477 V485 L516 V517 T518	Q470-L509 HydrophobicContact CB-CD1 3.91Å; I477-L509 HydrophobicContact CB-CD1 4.24Å; I477-L509 HydrophobicContact CG2-CD1 4.28Å; I477-L509 HydrophobicContact CG2-CD2 3.95Å; V485-L509 HydrophobicContact CG1-CD2 4.12Å; L509-L516 HydrophobicContact CB-CD1 4.32Å; L509-L516 HydrophobicContact CD1-CD1 4.4Å; L509-V517 CarbonylContact C-O 3.49Å; L509-V517 VanDerWaalsContact CA-O 3.28Å; L509-V517 WeakPolarHBondContact CA-O 3.3Å; L509-T518 HydrophobicContact CB-CG2 4.06Å
510	R	98.1	Very high	96.9	Very high	61 Å²	61	38 Å²	38	23%	0.23	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.3	175.4	-161.8	72.4	172.2	106.5	5.6	109.8	L516 V517 D554 F555	R510-L516 WeakPolarHBondContact O-CA 3.35Å; R510-V517 PolarHBondContact N-O 3.21Å; R510-V517 PolarHBondContact O-N 3.45Å; R510-D554 WeakPolarHBondContact CD-OD1 3.42Å; R510-D554 IonicContact CZ-OD1 2.83Å; R510-D554 IonicContact NE-OD1 2.89Å; R510-D554 PolarHBondContact NE-OD1 3.47Å; R510-D554 IonicContact NH2-OD1 3.87Å; R510-F555 HydrophobicContact CB-CD1 3.82Å; R510-F555 HydrophobicContact CB-CE1 3.86Å; R510-F555 HydrophobicContact CG-CD1 3.68Å; R510-F555 HydrophobicContact CG-CE1 3.76Å
511	F	95.9	Very high	97	Very high	23 Å²	23	37.4 Å²	37.4	10%	0.101	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.2	176.6	175.1	-120	0	0	0	111	Q470 I472 L475 I477 I515 L516 M530	Q470-F511 PolarHBondContact NE2-O 3.14Å; I472-F511 HydrophobicContact CD1-CD1 3.6Å; I472-F511 HydrophobicContact CD1-CE1 3.94Å; I472-F511 HydrophobicContact CG1-CD1 4.2Å; L475-F511 HydrophobicContact CD2-CE1 4.29Å; I477-F511 HydrophobicContact CD1-CB 3.89Å; I477-F511 HydrophobicContact CD1-CD1 3.96Å; I477-F511 HydrophobicContact CD1-CD2 4.3Å; I477-F511 HydrophobicContact CD1-CG 3.79Å; F511-I515 WeakPolarHBondContact CA-O 3.38Å; F511-I515 WeakPolarHBondContact CD2-O 3.34Å; F511-L516 HydrophobicContact CB-CD1 4.31Å; F511-L516 HydrophobicContact CD2-CB 4Å; F511-M530 HydrophobicContact CD2-CG 4.07Å; F511-M530 HydrophobicContact CE2-CB 3.95Å; F511-M530 HydrophobicContact CE2-CG 3.56Å; F511-M530 HydrophobicContact CZ-CB 4.5Å; F511-M530 HydrophobicContact CZ-CG 4.37Å
512	R	93.9	Very high	97.1	Very high	90 Å²	90	35.3 Å²	35.3	34%	0.34	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	144.1	177.5	171.6	178.7	171.4	162.5	2	109.4	N514 I515 F555 D557	R512-N514 VanDerWaalsContact C-N 3.29Å; R512-N514 PolarHBondContact O-N 2.89Å; R512-I515 PolarHBondContact N-O 2.87Å; R512-I515 PolarHBondContact O-N 3.06Å; R512-F555 HydrophobicContact CB-CE1 4.35Å; R512-F555 HydrophobicContact CB-CE2 4.21Å; R512-F555 HydrophobicContact CB-CZ 3.73Å; R512-D557 IonicContact CZ-OD2 3.4Å; R512-D557 IonicContact NE-OD1 3.8Å; R512-D557 IonicContact NE-OD2 2.73Å; R512-D557 IonicContact NH2-OD2 3.21Å; R512-D557 PolarHBondContact NH2-OD2 2.88Å
513	N	90.5	Very high	97.1	Very high	96 Å²	96	41.4 Å²	41.4	51%	0.513	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	45.9	169.4	-64	-12.6	0	0	0	113.9	I515 D557	N513-I515 PolarHBondContact O-N 2.79Å; N513-I515 VanDerWaalsContact O-N 3.14Å; N513-D557 PolarHBondContact ND2-OD1 2.85Å
514	N	92.1	Very high	97.2	Very high	96 Å²	96	38.2 Å²	38.2	51%	0.513	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	7.7	-176.7	-66.8	24	0	0	0	116	R512 M530	R512-N514 VanDerWaalsContact C-N 3.29Å; R512-N514 PolarHBondContact O-N 2.89Å; N514-M530 WeakPolarHBondContact CB-O 3.28Å; N514-M530 PolarHBondContact ND2-O 2.92Å; N514-M530 WeakPolarHBondContact O-CB 3.34Å; N514-M530 PolarHBondContact O-N 3.15Å
515	I	95.6	Very high	97.2	Very high	22 Å²	22	35.1 Å²	35.1	11%	0.113	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.3	171.2	-59.8	174.7	0	0	0	109	F511 R512 N513 V517 V527 W528 F555 T574	F511-I515 WeakPolarHBondContact CA-O 3.38Å; F511-I515 WeakPolarHBondContact CD2-O 3.34Å; R512-I515 PolarHBondContact N-O 2.87Å; R512-I515 PolarHBondContact O-N 3.06Å; N513-I515 PolarHBondContact O-N 2.79Å; N513-I515 VanDerWaalsContact O-N 3.14Å; I515-V517 HydrophobicContact CG2-CG2 3.99Å; I515-V527 HydrophobicContact CG2-CG1 3.93Å; I515-W528 WeakPolarHBondContact CA-O 3.13Å; I515-F555 HydrophobicContact CB-CE2 4.07Å; I515-F555 HydrophobicContact CB-CZ 4.05Å; I515-F555 HydrophobicContact CG2-CE2 4.11Å; I515-F555 HydrophobicContact CG2-CZ 4.09Å; I515-F555 WeakPolarHBondContact O-CZ 3.47Å; I515-T574 HydrophobicContact CD1-CG2 4.03Å
516	L	97.3	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.3	168	162.4	68.9	0	0	0	108	I477 I499 L509 R510 F511 T518 W528 M530	I477-L516 HydrophobicContact CD1-CD1 4.37Å; I477-L516 HydrophobicContact CG2-CD1 4.36Å; I477-L516 HydrophobicContact CG2-CD2 4.47Å; I499-L516 HydrophobicContact CD1-CD2 4.04Å; L509-L516 HydrophobicContact CB-CD1 4.32Å; L509-L516 HydrophobicContact CD1-CD1 4.4Å; R510-L516 WeakPolarHBondContact O-CA 3.35Å; F511-L516 HydrophobicContact CB-CD1 4.31Å; F511-L516 HydrophobicContact CD2-CB 4Å; L516-T518 HydrophobicContact CD1-CG2 3.9Å; L516-T518 HydrophobicContact CD2-CG2 4.25Å; L516-T518 HydrophobicContact CG-CG2 3.97Å; L516-W528 HydrophobicContact CB-CB 4.03Å; L516-W528 HydrophobicContact CD2-CB 4.37Å; L516-W528 HydrophobicContact CD2-CG 4.29Å; L516-W528 HydrophobicContact CG-CB 4.3Å; L516-W528 HydrophobicContact CG-CG 4.31Å; L516-W528 PolarHBondContact N-O 2.75Å; L516-W528 PolarHBondContact O-N 2.81Å; L516-M530 HydrophobicContact CB-CG 4.05Å; L516-M530 HydrophobicContact CB-SD 4.38Å; L516-M530 HydrophobicContact CD2-SD 4.23Å
517	V	98.3	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.5	174.1	-171.7	0	0	0	0	108.5	L509 R510 I515 I525 A526 V527 V553 F555 I560	L509-V517 CarbonylContact C-O 3.49Å; L509-V517 VanDerWaalsContact CA-O 3.28Å; L509-V517 WeakPolarHBondContact CA-O 3.3Å; R510-V517 PolarHBondContact N-O 3.21Å; R510-V517 PolarHBondContact O-N 3.45Å; I515-V517 HydrophobicContact CG2-CG2 3.99Å; V517-I525 HydrophobicContact CG1-CG2 3.49Å; V517-I525 VanDerWaalsContact CG1-CG2 3.49Å; V517-A526 WeakPolarHBondContact CA-O 3.49Å; V517-V527 HydrophobicContact CG1-CG2 4.36Å; V517-V527 HydrophobicContact CG2-CG1 4.48Å; V517-V527 HydrophobicContact CG2-CG2 4.46Å; V517-V553 HydrophobicContact CG1-CG1 4.16Å; V517-V553 HydrophobicContact CG1-CG2 3.69Å; V517-F555 HydrophobicContact CB-CD1 4.23Å; V517-F555 HydrophobicContact CB-CE1 4.35Å; V517-F555 HydrophobicContact CG2-CD1 3.74Å; V517-F555 HydrophobicContact CG2-CE1 3.79Å; V517-F555 HydrophobicContact CG2-CG 4.17Å; V517-F555 HydrophobicContact CG2-CZ 4.25Å; V517-I560 HydrophobicContact CG1-CG2 4.15Å; V517-I560 HydrophobicContact CG2-CD1 4.22Å; V517-I560 HydrophobicContact CG2-CG1 4.49Å
518	T	98.6	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.7	-178.5	61.7	0	0	0	0	109.8	V485 H502 L509 L516 I525 A526 W528	V485-T518 HydrophobicContact CG1-CG2 4.48Å; V485-T518 HydrophobicContact CG2-CG2 3.99Å; H502-T518 PolarHBondContact NE2-OG1 3.45Å; L509-T518 HydrophobicContact CB-CG2 4.06Å; L516-T518 HydrophobicContact CD1-CG2 3.9Å; L516-T518 HydrophobicContact CD2-CG2 4.25Å; L516-T518 HydrophobicContact CG-CG2 3.97Å; T518-I525 CarbonylContact O-C 3.56Å; T518-I525 VanDerWaalsContact O-CA 3.27Å; T518-I525 WeakPolarHBondContact O-CA 3.16Å; T518-I525 WeakPolarHBondContact O-CG2 3.41Å; T518-A526 PolarHBondContact N-O 2.91Å; T518-A526 PolarHBondContact O-N 2.85Å; T518-W528 PolarHBondContact OG1-NE1 2.98Å
519	C	98.3	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.8	173.9	72.2	0	0	0	0	112.5	L507 H508 I525 V550 V553	L507-C519 PolarHBondContact N-O 2.93Å; H508-C519 PolarHBondContact N-O 2.8Å; H508-C519 PolarHBondContact O-N 3.19Å; C519-I525 HydrophobicContact CB-CB 4.4Å; C519-I525 HydrophobicContact CB-CG1 3.88Å; C519-I525 HydrophobicContact CB-CG2 4.45Å; C519-V550 HydrophobicContact CB-CB 3.88Å; C519-V550 HydrophobicContact CB-CG1 3.7Å; C519-V550 PolarHBondContact SG-O 2.91Å; C519-V550 VanDerWaalsContact SG-O 3.39Å; C519-V553 HydrophobicContact CB-CB 4.35Å; C519-V553 HydrophobicContact CB-CG1 4.22Å
520	S	98.6	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	162.6	-166.6	169	0	0	0	0	113.2	H502 E504 A505 D522 R523 S524 V550	H502-S520 VanDerWaalsContact ND1-CB 3.27Å; H502-S520 WeakPolarHBondContact ND1-CB 3.42Å; E504-S520 VanDerWaalsContact C-OG 3.3Å; E504-S520 PolarHBondContact O-OG 3.13Å; A505-S520 WeakPolarHBondContact O-CA 3.31Å; A505-S520 PolarHBondContact O-OG 2.78Å; A505-S520 VanDerWaalsContact O-OG 3.06Å; S520-D522 VanDerWaalsContact CB-CG 3.47Å; S520-D522 WeakPolarHBondContact CB-OD1 3.43Å; S520-D522 PolarHBondContact O-N 3.07Å; S520-D522 PolarHBondContact OG-N 3.46Å; S520-D522 PolarHBondContact OG-OD2 3.46Å; S520-R523 PolarHBondContact O-N 2.83Å; S520-S524 PolarHBondContact N-O 2.83Å; S520-V550 PolarHBondContact O-N 3.25Å; S520-V550 VanDerWaalsContact O-N 3.17Å
521	K	98.4	Very high	96.3	Very high	107 Å²	107	33.9 Å²	33.9	47%	0.465	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.9	166.2	-168.7	175.3	166.1	-87.7	0	112.5	E504 A505 L507 R523 A549	E504-K521 HydrophobicContact CB-CB 3.89Å; E504-K521 HydrophobicContact CB-CG 4.5Å; E504-K521 VanDerWaalsContact OE2-CD 3.31Å; E504-K521 WeakPolarHBondContact OE2-CD 3.49Å; E504-K521 WeakPolarHBondContact OE2-CE 3.42Å; E504-K521 VanDerWaalsContact OE2-CG 3.22Å; E504-K521 WeakPolarHBondContact OE2-CG 3.49Å; E504-K521 IonicContact OE2-NZ 3.83Å; E504-K521 PolarHBondContact OE2-NZ 2.92Å; A505-K521 HydrophobicContact CB-CB 4.45Å; A505-K521 PolarHBondContact O-N 2.86Å; L507-K521 HydrophobicContact CD1-CB 4.03Å; L507-K521 HydrophobicContact CD2-CB 4.35Å; L507-K521 HydrophobicContact CG-CB 4.25Å; K521-R523 PolarHBondContact O-N 2.86Å; K521-R523 VanDerWaalsContact O-N 3.09Å; K521-A549 HydrophobicContact CB-CB 4.36Å; K521-A549 HydrophobicContact CG-CB 4.07Å
522	D	97.9	Very high	95.7	Very high	29 Å²	29	37.9 Å²	37.9	16%	0.155	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.4	176.7	68.6	23.1	0	0	0	114.5	H502 A503 E504 S520 S524	H502-D522 WeakPolarHBondContact CA-OD2 3.48Å; H502-D522 WeakPolarHBondContact CB-OD2 3.35Å; H502-D522 IonicContact CG-OD2 2.73Å; H502-D522 IonicContact ND1-OD1 2.58Å; H502-D522 IonicContact ND1-OD2 2.77Å; H502-D522 PolarHBondContact ND1-OD2 2.88Å; A503-D522 HydrophobicContact CB-CB 4.18Å; A503-D522 PolarHBondContact N-OD2 3.48Å; E504-D522 HydrophobicContact CB-CB 4.08Å; E504-D522 HydrophobicContact CG-CB 4.13Å; S520-D522 VanDerWaalsContact CB-CG 3.47Å; S520-D522 WeakPolarHBondContact CB-OD1 3.43Å; S520-D522 PolarHBondContact O-N 3.07Å; S520-D522 PolarHBondContact OG-N 3.46Å; S520-D522 PolarHBondContact OG-OD2 3.46Å; D522-S524 VanDerWaalsContact CG-OG 3.32Å; D522-S524 WeakPolarHBondContact OD1-CA 3.23Å; D522-S524 VanDerWaalsContact OD1-CB 3.26Å; D522-S524 WeakPolarHBondContact OD1-CB 3.35Å; D522-S524 PolarHBondContact OD1-N 3.06Å; D522-S524 PolarHBondContact OD1-OG 2.92Å; D522-S524 PolarHBondContact OD2-OG 3.06Å
523	R	98.3	Very high	95.2	Very high	135 Å²	135	42.6 Å²	42.6	51%	0.509	21%	0.209	S	C	.	.	S	Bend	trans	87.1	2.8	179.4	-51.2	166.1	-85.7	-162.2	-9	115.2	S520 K521 R547	S520-R523 PolarHBondContact O-N 2.83Å; K521-R523 PolarHBondContact O-N 2.86Å; K521-R523 VanDerWaalsContact O-N 3.09Å; R523-R547 WeakPolarHBondContact CD-O 3.19Å
524	S	98	Very high	94.7	Very high	15 Å²	15	40 Å²	40	11%	0.105	20%	0.197	C	C	.	.			trans	-93.8	161.7	175.1	74.7	0	0	0	0	112.8	H502 S520 D522	H502-S524 PolarHBondContact CE1-OG 2.98Å; H502-S524 VanDerWaalsContact CE1-OG 3.24Å; H502-S524 PolarHBondContact ND1-OG 3.11Å; S520-S524 PolarHBondContact N-O 2.83Å; D522-S524 VanDerWaalsContact CG-OG 3.32Å; D522-S524 WeakPolarHBondContact OD1-CA 3.23Å; D522-S524 VanDerWaalsContact OD1-CB 3.26Å; D522-S524 WeakPolarHBondContact OD1-CB 3.35Å; D522-S524 PolarHBondContact OD1-N 3.06Å; D522-S524 PolarHBondContact OD1-OG 2.92Å; D522-S524 PolarHBondContact OD2-OG 3.06Å
525	I	98.6	Very high	94.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.7	163.2	-57.1	146	0	0	0	105.6	V517 T518 C519 V542 L543 V550 V553 S562 W572	V517-I525 HydrophobicContact CG1-CG2 3.49Å; V517-I525 VanDerWaalsContact CG1-CG2 3.49Å; T518-I525 CarbonylContact O-C 3.56Å; T518-I525 VanDerWaalsContact O-CA 3.27Å; T518-I525 WeakPolarHBondContact O-CA 3.16Å; T518-I525 WeakPolarHBondContact O-CG2 3.41Å; C519-I525 HydrophobicContact CB-CB 4.4Å; C519-I525 HydrophobicContact CB-CG1 3.88Å; C519-I525 HydrophobicContact CB-CG2 4.45Å; I525-V542 CarbonylContact O-C 3.52Å; I525-V542 WeakPolarHBondContact O-CA 3.48Å; I525-L543 HydrophobicContact CB-CB 4.1Å; I525-L543 HydrophobicContact CB-CD1 4.25Å; I525-L543 HydrophobicContact CB-CG 4.22Å; I525-L543 HydrophobicContact CD1-CB 4.3Å; I525-L543 HydrophobicContact CD1-CD1 4.37Å; I525-L543 HydrophobicContact CG2-CD1 4.04Å; I525-L543 HydrophobicContact CG2-CG 4.35Å; I525-L543 PolarHBondContact N-O 2.91Å; I525-L543 VanDerWaalsContact N-O 3.13Å; I525-L543 PolarHBondContact O-N 2.96Å; I525-V550 HydrophobicContact CD1-CG1 4.4Å; I525-V550 HydrophobicContact CG1-CG1 4.05Å; I525-V550 HydrophobicContact CG1-CG2 4.31Å; I525-V553 HydrophobicContact CG2-CG2 4.44Å; I525-S562 WeakPolarHBondContact CD1-OG 3.42Å; I525-W572 HydrophobicContact CD1-CZ2 4.4Å
526	A	98.3	Very high	94	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.7	173.9	0	0	0	0	0	109.9	V517 T518 W528 L539	V517-A526 WeakPolarHBondContact CA-O 3.49Å; T518-A526 PolarHBondContact N-O 2.91Å; T518-A526 PolarHBondContact O-N 2.85Å; A526-W528 HydrophobicContact CB-CZ2 3.69Å; A526-W528 PolarHBondContact O-NE1 3Å; A526-L539 HydrophobicContact CB-CD1 3.86Å
527	V	97.9	Very high	93.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.5	176.3	-176.8	0	0	0	0	107.6	I515 V517 R540 Q541 L543 I560	I515-V527 HydrophobicContact CG2-CG1 3.93Å; V517-V527 HydrophobicContact CG1-CG2 4.36Å; V517-V527 HydrophobicContact CG2-CG1 4.48Å; V517-V527 HydrophobicContact CG2-CG2 4.46Å; V527-R540 HydrophobicContact CG1-CB 4.3Å; V527-R540 WeakPolarHBondContact O-CA 3.42Å; V527-R540 WeakPolarHBondContact O-CB 3.46Å; V527-R540 PolarHBondContact O-N 3.02Å; V527-Q541 PolarHBondContact N-O 3.35Å; V527-Q541 PolarHBondContact O-N 2.87Å; V527-L543 HydrophobicContact CG2-CD1 4.09Å; V527-L543 HydrophobicContact CG2-CD2 4.17Å; V527-L543 HydrophobicContact CG2-CG 4.1Å; V527-I560 HydrophobicContact CG2-CD1 3.77Å
528	W	97.6	Very high	93.7	Very high	14 Å²	14	51.6 Å²	51.6	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.1	-169.8	-52.2	87.6	0	0	0	110.3	I499 H501 I515 L516 T518 A526 V537 Q538 L539	I499-W528 HydrophobicContact CG2-CE3 4.33Å; I499-W528 HydrophobicContact CG2-CH2 3.42Å; I499-W528 VanDerWaalsContact CG2-CH2 3.42Å; I499-W528 HydrophobicContact CG2-CZ2 3.79Å; I499-W528 HydrophobicContact CG2-CZ3 3.71Å; H501-W528 HydrophobicContact CB-CH2 3.57Å; H501-W528 HydrophobicContact CB-CZ2 3.91Å; H501-W528 AromaticContact CG-CH2 3.65Å; H501-W528 AromaticContact CG-CZ2 3.83Å; H501-W528 AromaticContact ND1-CZ2 3.93Å; I515-W528 WeakPolarHBondContact CA-O 3.13Å; L516-W528 HydrophobicContact CB-CB 4.03Å; L516-W528 HydrophobicContact CD2-CB 4.37Å; L516-W528 HydrophobicContact CD2-CG 4.29Å; L516-W528 HydrophobicContact CG-CB 4.3Å; L516-W528 HydrophobicContact CG-CG 4.31Å; L516-W528 PolarHBondContact N-O 2.75Å; L516-W528 PolarHBondContact O-N 2.81Å; T518-W528 PolarHBondContact OG1-NE1 2.98Å; A526-W528 HydrophobicContact CB-CZ2 3.69Å; A526-W528 PolarHBondContact O-NE1 3Å; W528-V537 HydrophobicContact CB-CG1 4.14Å; W528-V537 HydrophobicContact CE3-CG1 4.07Å; W528-Q538 CarbonylContact C-O 3.59Å; W528-Q538 VanDerWaalsContact CA-O 3.27Å; W528-Q538 WeakPolarHBondContact CA-O 3.28Å; W528-L539 HydrophobicContact CD2-CD1 4.14Å; W528-L539 HydrophobicContact CE3-CB 3.94Å; W528-L539 HydrophobicContact CE3-CD1 4.07Å; W528-L539 HydrophobicContact CH2-CB 4.35Å; W528-L539 HydrophobicContact CH2-CD1 3.94Å; W528-L539 HydrophobicContact CZ2-CD1 4.03Å; W528-L539 HydrophobicContact CZ3-CB 3.7Å; W528-L539 HydrophobicContact CZ3-CD1 3.98Å; W528-L539 HydrophobicContact CZ3-CG 4.37Å
529	D	95.5	Very high	93.6	Very high	52 Å²	52	55.2 Å²	55.2	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.9	168.6	-76.7	-53.8	0	0	0	109.6	V537 Q538 R540	D529-V537 WeakPolarHBondContact O-CA 3.26Å; D529-Q538 PolarHBondContact N-O 3.41Å; D529-Q538 PolarHBondContact O-N 2.81Å; D529-R540 IonicContact OD1-CZ 3.09Å; D529-R540 IonicContact OD1-NE 3.79Å; D529-R540 PolarHBondContact OD1-NE 2.91Å; D529-R540 IonicContact OD1-NH2 3.85Å; D529-R540 PolarHBondContact OD1-NH2 3.04Å; D529-R540 WeakPolarHBondContact OD2-CB 3.22Å; D529-R540 IonicContact OD2-CZ 3.63Å; D529-R540 IonicContact OD2-NE 3.32Å; D529-R540 PolarHBondContact OD2-NE 2.71Å; D529-R540 IonicContact OD2-NH2 3.34Å; D529-R540 PolarHBondContact OD2-NH2 2.6Å
530	M	93	Very high	93.4	Very high	11 Å²	11	59.6 Å²	59.6	5%	0.054	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.3	175.5	-67.1	-67.2	-43.8	0	0	109.2	L487 F511 N514 L516 V537	L487-M530 HydrophobicContact CD2-CE 3.5Å; L487-M530 HydrophobicContact CD2-SD 4.26Å; F511-M530 HydrophobicContact CD2-CG 4.07Å; F511-M530 HydrophobicContact CE2-CB 3.95Å; F511-M530 HydrophobicContact CE2-CG 3.56Å; F511-M530 HydrophobicContact CZ-CB 4.5Å; F511-M530 HydrophobicContact CZ-CG 4.37Å; N514-M530 WeakPolarHBondContact CB-O 3.28Å; N514-M530 PolarHBondContact ND2-O 2.92Å; N514-M530 WeakPolarHBondContact O-CB 3.34Å; N514-M530 PolarHBondContact O-N 3.15Å; L516-M530 HydrophobicContact CB-CG 4.05Å; L516-M530 HydrophobicContact CB-SD 4.38Å; L516-M530 HydrophobicContact CD2-SD 4.23Å; M530-V537 HydrophobicContact CE-CG2 3.51Å; M530-V537 HydrophobicContact SD-CB 4.11Å; M530-V537 HydrophobicContact SD-CG1 3.58Å; M530-V537 VanDerWaalsContact SD-CG1 3.58Å; M530-V537 HydrophobicContact SD-CG2 3.5Å; M530-V537 VanDerWaalsContact SD-CG2 3.5Å
531	G	88.8	Confident	93.3	Very high	20 Å²	20	63.6 Å²	63.6	21%	0.206	30%	0.303	C	S	.	.			trans	-67.2	-179	170.6	0	0	0	0	0	112.9	W533 D536	G531-W533 PolarHBondContact O-N 2.88Å; G531-D536 WeakPolarHBondContact CA-OD2 3.49Å; G531-D536 PolarHBondContact N-O 2.83Å
532	P	85	Confident	93.3	Very high	108 Å²	108	60.9 Å²	60.9	70%	0.701	30%	0.295	S	S	*	.	S	Bend	trans	-65.8	-14.8	176.3	28.6	-34.9	0	0	0	113.3
533	W	83	Confident	93.2	Very high	189 Å²	189	59.7 Å²	59.7	72%	0.716	29%	0.289	S	S	*	.	S	Bend	trans	-115.6	135.3	-179.4	-56.1	114.6	0	0	0	110.6	G531 K535 D536	G531-W533 PolarHBondContact O-N 2.88Å; W533-K535 PolarHBondContact O-N 2.86Å; W533-D536 PolarHBondContact O-N 2.85Å
534	P	79.8	Confident	93.1	Very high	42 Å²	42	58.7 Å²	58.7	27%	0.273	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.6	-179.1	-29.5	37.8	0	0	0	116.6	L475 L487 L496 N497 V537	L475-P534 HydrophobicContact CD1-CB 4.48Å; L475-P534 HydrophobicContact CD1-CG 4.4Å; L487-P534 HydrophobicContact CD2-CB 4.19Å; L496-P534 HydrophobicContact CB-CB 4.06Å; L496-P534 HydrophobicContact CD1-CB 3.87Å; L496-P534 HydrophobicContact CD1-CG 3.89Å; N497-P534 VanDerWaalsContact CB-O 3.25Å; N497-P534 WeakPolarHBondContact CB-O 3.35Å; N497-P534 PolarHBondContact ND2-O 3.04Å; P534-V537 WeakPolarHBondContact O-CG2 3.37Å
535	K	84.3	Confident	93	Very high	164 Å²	164	59.6 Å²	59.6	71%	0.713	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-19.5	174	-67.9	-172.5	177.2	-176.2	0	113.8	L496 N497 W533 V537	L496-K535 WeakPolarHBondContact O-CE 3.47Å; L496-K535 WeakPolarHBondContact O-CG 3.5Å; N497-K535 HydrophobicContact CB-CG 4.46Å; W533-K535 PolarHBondContact O-N 2.86Å; K535-V537 PolarHBondContact O-N 2.91Å
536	D	89.5	Confident	93	Very high	62 Å²	62	60.1 Å²	60.1	33%	0.332	31%	0.311	S	S	.	.			trans	-88.3	91.1	176.1	-176.1	22.1	0	0	0	108.8	G531 W533 Q538	G531-D536 WeakPolarHBondContact CA-OD2 3.49Å; G531-D536 PolarHBondContact N-O 2.83Å; W533-D536 PolarHBondContact O-N 2.85Å; D536-Q538 PolarHBondContact OD1-NE2 3.19Å
537	V	93.6	Very high	92.9	Very high	20 Å²	20	70.5 Å²	70.5	12%	0.121	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	109.6	-179.1	-170.1	0	0	0	0	108.7	N497 I499 W528 D529 M530 P534 K535	N497-V537 WeakPolarHBondContact ND2-CG2 3.49Å; I499-V537 HydrophobicContact CD1-CB 4.43Å; I499-V537 HydrophobicContact CD1-CG1 3.81Å; I499-V537 HydrophobicContact CG1-CG1 4.46Å; W528-V537 HydrophobicContact CB-CG1 4.14Å; W528-V537 HydrophobicContact CE3-CG1 4.07Å; D529-V537 WeakPolarHBondContact O-CA 3.26Å; M530-V537 HydrophobicContact CE-CG2 3.51Å; M530-V537 HydrophobicContact SD-CB 4.11Å; M530-V537 HydrophobicContact SD-CG1 3.58Å; M530-V537 VanDerWaalsContact SD-CG1 3.58Å; M530-V537 HydrophobicContact SD-CG2 3.5Å; M530-V537 VanDerWaalsContact SD-CG2 3.5Å; P534-V537 WeakPolarHBondContact O-CG2 3.37Å; K535-V537 PolarHBondContact O-N 2.91Å
538	Q	94.4	Very high	92.9	Very high	114 Å²	114	72.1 Å²	72.1	53%	0.533	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.4	-174.1	-52.1	-55.5	-28.1	0	0	110.1	W528 D529 D536 R540	W528-Q538 CarbonylContact C-O 3.59Å; W528-Q538 VanDerWaalsContact CA-O 3.27Å; W528-Q538 WeakPolarHBondContact CA-O 3.28Å; D529-Q538 PolarHBondContact N-O 3.41Å; D529-Q538 PolarHBondContact O-N 2.81Å; D536-Q538 PolarHBondContact OD1-NE2 3.19Å; Q538-R540 PolarHBondContact O-N 3.04Å
539	L	96.4	Very high	93	Very high	76 Å²	76	72.5 Å²	72.5	40%	0.398	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.1	172.9	179.2	64.6	0	0	0	109	A526 W528 V542	A526-L539 HydrophobicContact CB-CD1 3.86Å; W528-L539 HydrophobicContact CD2-CD1 4.14Å; W528-L539 HydrophobicContact CE3-CB 3.94Å; W528-L539 HydrophobicContact CE3-CD1 4.07Å; W528-L539 HydrophobicContact CH2-CB 4.35Å; W528-L539 HydrophobicContact CH2-CD1 3.94Å; W528-L539 HydrophobicContact CZ2-CD1 4.03Å; W528-L539 HydrophobicContact CZ3-CB 3.7Å; W528-L539 HydrophobicContact CZ3-CD1 3.98Å; W528-L539 HydrophobicContact CZ3-CG 4.37Å; L539-V542 HydrophobicContact CD1-CG2 4.11Å; L539-V542 HydrophobicContact CD2-CG2 3.99Å; L539-V542 HydrophobicContact CG-CG2 4.48Å
540	R	94.6	Very high	93.1	Very high	92 Å²	92	70 Å²	70	35%	0.347	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-55.5	175.1	-173.5	-168.7	-74.2	-163.6	-0.8	110.5	V527 D529 Q538	V527-R540 HydrophobicContact CG1-CB 4.3Å; V527-R540 WeakPolarHBondContact O-CA 3.42Å; V527-R540 WeakPolarHBondContact O-CB 3.46Å; V527-R540 PolarHBondContact O-N 3.02Å; D529-R540 IonicContact OD1-CZ 3.09Å; D529-R540 IonicContact OD1-NE 3.79Å; D529-R540 PolarHBondContact OD1-NE 2.91Å; D529-R540 IonicContact OD1-NH2 3.85Å; D529-R540 PolarHBondContact OD1-NH2 3.04Å; D529-R540 WeakPolarHBondContact OD2-CB 3.22Å; D529-R540 IonicContact OD2-CZ 3.63Å; D529-R540 IonicContact OD2-NE 3.32Å; D529-R540 PolarHBondContact OD2-NE 2.71Å; D529-R540 IonicContact OD2-NH2 3.34Å; D529-R540 PolarHBondContact OD2-NH2 2.6Å; Q538-R540 PolarHBondContact O-N 3.04Å
541	Q	96.5	Very high	93.4	Very high	84 Å²	84	71.6 Å²	71.6	39%	0.393	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	149.7	-176	-167.1	165.7	-34.1	0	0	112.3	V527 L543 C577	V527-Q541 PolarHBondContact N-O 3.35Å; V527-Q541 PolarHBondContact O-N 2.87Å; Q541-L543 HydrophobicContact CG-CD2 4.25Å; Q541-C577 HydrophobicContact CB-CB 4.26Å; Q541-C577 VanDerWaalsContact CD-CB 3.42Å; Q541-C577 HydrophobicContact CG-CB 4.24Å; Q541-C577 VanDerWaalsContact OE1-CB 3.29Å
542	V	97.6	Very high	93.8	Very high	51 Å²	51	70.9 Å²	70.9	31%	0.309	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.4	167.6	-174	0	0	0	0	109.3	I525 L539 V544	I525-V542 CarbonylContact O-C 3.52Å; I525-V542 WeakPolarHBondContact O-CA 3.48Å; L539-V542 HydrophobicContact CD1-CG2 4.11Å; L539-V542 HydrophobicContact CD2-CG2 3.99Å; L539-V542 HydrophobicContact CG-CG2 4.48Å; V542-V544 HydrophobicContact CG1-CG2 4.05Å
543	L	97.6	Very high	94.5	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.1	175.1	-33.6	179.6	0	0	0	108.8	I525 V527 Q541 I560 W572 C577	I525-L543 HydrophobicContact CB-CB 4.1Å; I525-L543 HydrophobicContact CB-CD1 4.25Å; I525-L543 HydrophobicContact CB-CG 4.22Å; I525-L543 HydrophobicContact CD1-CB 4.3Å; I525-L543 HydrophobicContact CD1-CD1 4.37Å; I525-L543 HydrophobicContact CG2-CD1 4.04Å; I525-L543 HydrophobicContact CG2-CG 4.35Å; I525-L543 PolarHBondContact N-O 2.91Å; I525-L543 VanDerWaalsContact N-O 3.13Å; I525-L543 PolarHBondContact O-N 2.96Å; V527-L543 HydrophobicContact CG2-CD1 4.09Å; V527-L543 HydrophobicContact CG2-CD2 4.17Å; V527-L543 HydrophobicContact CG2-CG 4.1Å; Q541-L543 HydrophobicContact CG-CD2 4.25Å; L543-I560 HydrophobicContact CD1-CD1 4.38Å; L543-I560 HydrophobicContact CD1-CG2 4.44Å; L543-W572 HydrophobicContact CB-CD2 4.38Å; L543-W572 HydrophobicContact CB-CE3 4.32Å; L543-W572 HydrophobicContact CB-CH2 4.3Å; L543-W572 HydrophobicContact CB-CZ2 4.34Å; L543-W572 HydrophobicContact CB-CZ3 4.29Å; L543-W572 HydrophobicContact CD1-CB 4.22Å; L543-W572 HydrophobicContact CD1-CD2 3.97Å; L543-W572 HydrophobicContact CD1-CE3 4.46Å; L543-W572 HydrophobicContact CD1-CG 3.84Å; L543-C577 HydrophobicContact CD2-CB 3.6Å
544	V	96.1	Very high	95.2	Very high	113 Å²	113	57 Å²	57	69%	0.685	29%	0.291	S	S	*	.			trans	-120.1	136.2	179.5	-176.9	0	0	0	0	109.1	V542	V542-V544 HydrophobicContact CG1-CG2 4.05Å
545	G	94.7	Very high	96	Very high	34 Å²	34	55.3 Å²	55.3	35%	0.351	28%	0.279	S	S	.	.			trans	159.8	-12.5	177.4	0	0	0	0	0	115.8	K570	G545-K570 VanDerWaalsContact O-CE 3.29Å; G545-K570 WeakPolarHBondContact O-CE 3.42Å
546	H	98	Very high	96.6	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.056	25%	0.253	C	S	.	.			trans	-75.4	145.6	166.5	-82.5	-62.1	0	0	0	111.1	V550 S562 S564 D566 T568	H546-V550 HydrophobicContact CB-CG2 3.79Å; H546-S562 PolarHBondContact NE2-O 2.6Å; H546-S562 PolarHBondContact NE2-OG 2.92Å; H546-S564 WeakPolarHBondContact ND1-CB 3.47Å; H546-D566 VanDerWaalsContact CA-OD2 3.28Å; H546-D566 WeakPolarHBondContact CA-OD2 3.41Å; H546-D566 IonicContact CG-OD2 2.69Å; H546-D566 IonicContact ND1-OD1 3.46Å; H546-D566 PolarHBondContact ND1-OD1 3.19Å; H546-D566 IonicContact ND1-OD2 3.91Å; H546-D566 PolarHBondContact ND1-OD2 2.94Å; H546-T568 PolarHBondContact CE1-OG1 3.47Å; H546-T568 PolarHBondContact ND1-OG1 2.83Å
547	R	97.7	Very high	96.9	Very high	218 Å²	218	49.6 Å²	49.6	82%	0.823	26%	0.257	S	S	*	.	S	Bend	trans	-95.9	-13.7	-175.9	-64.4	-178.2	179.7	-102.6	0.7	113.5	R523 D566	R523-R547 WeakPolarHBondContact CD-O 3.19Å; R547-D566 HydrophobicContact CB-CB 4Å; R547-D566 PolarHBondContact N-OD2 3.2Å
548	A	98.3	Very high	97	Very high	34 Å²	34	53 Å²	53	28%	0.281	27%	0.27	S	S	.	.	S	Bend	trans	-142.8	172.4	175.8	0	0	0	0	0	110.3	V550 S564 D566	A548-V550 PolarHBondContact O-N 3.4Å; A548-S564 VanDerWaalsContact C-OG 3.31Å; A548-S564 PolarHBondContact O-OG 2.98Å; A548-D566 HydrophobicContact CB-CB 4.19Å
549	A	98.2	Very high	97.1	Very high	23 Å²	23	48.7 Å²	48.7	19%	0.19	25%	0.249	C	C	.	.			trans	-41.2	133.4	-176.6	0	0	0	0	0	113.1	L507 K521 S564 G565	L507-A549 HydrophobicContact CD1-CB 4Å; K521-A549 HydrophobicContact CB-CB 4.36Å; K521-A549 HydrophobicContact CG-CB 4.07Å; A549-S564 VanDerWaalsContact O-CA 3.26Å; A549-S564 WeakPolarHBondContact O-CA 3.27Å; A549-S564 WeakPolarHBondContact O-CB 3.4Å; A549-S564 PolarHBondContact O-OG 3.43Å; A549-G565 PolarHBondContact O-N 3.12Å
550	V	98.6	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	108	177.6	-171.2	0	0	0	0	107.5	L507 C519 S520 I525 H546 A548	L507-V550 WeakPolarHBondContact CD1-O 3.47Å; C519-V550 HydrophobicContact CB-CB 3.88Å; C519-V550 HydrophobicContact CB-CG1 3.7Å; C519-V550 PolarHBondContact SG-O 2.91Å; C519-V550 VanDerWaalsContact SG-O 3.39Å; S520-V550 PolarHBondContact O-N 3.25Å; S520-V550 VanDerWaalsContact O-N 3.17Å; I525-V550 HydrophobicContact CD1-CG1 4.4Å; I525-V550 HydrophobicContact CG1-CG1 4.05Å; I525-V550 HydrophobicContact CG1-CG2 4.31Å; H546-V550 HydrophobicContact CB-CG2 3.79Å; A548-V550 PolarHBondContact O-N 3.4Å
551	N	98.5	Very high	97.4	Very high	44 Å²	44	40.7 Å²	40.7	24%	0.235	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-17.5	-166.8	-63.6	-37.9	0	0	0	113.3	A563 G565 I590	N551-A563 PolarHBondContact N-O 3.02Å; N551-G565 PolarHBondContact ND2-N 3.13Å; N551-I590 PolarHBondContact ND2-O 2.9Å
552	V	98.3	Very high	97.5	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	144.1	-175.7	58.5	0	0	0	0	110.9	A563 L593	V552-A563 HydrophobicContact CG1-CB 3.79Å; V552-A563 PolarHBondContact O-N 3.15Å; V552-L593 HydrophobicContact CB-CB 4.41Å; V552-L593 HydrophobicContact CG1-CB 3.55Å; V552-L593 HydrophobicContact CG2-CB 3.96Å
553	V	98.3	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.5	169.4	66.9	0	0	0	0	110.1	H508 V517 C519 I525 I560 V561	H508-V553 PolarHBondContact CE1-O 3.02Å; H508-V553 PolarHBondContact ND1-N 2.69Å; H508-V553 PolarHBondContact ND1-O 2.96Å; V517-V553 HydrophobicContact CG1-CG1 4.16Å; V517-V553 HydrophobicContact CG1-CG2 3.69Å; C519-V553 HydrophobicContact CB-CB 4.35Å; C519-V553 HydrophobicContact CB-CG1 4.22Å; I525-V553 HydrophobicContact CG2-CG2 4.44Å; V553-I560 HydrophobicContact CG2-CG2 3.74Å; V553-V561 WeakPolarHBondContact CA-O 3.46Å
554	D	98.2	Very high	97.6	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.9	173.6	-152.6	-1.1	0	0	0	107.5	R510 V561 L593 Q594 Y595 R634	R510-D554 WeakPolarHBondContact CD-OD1 3.42Å; R510-D554 IonicContact CZ-OD1 2.83Å; R510-D554 IonicContact NE-OD1 2.89Å; R510-D554 PolarHBondContact NE-OD1 3.47Å; R510-D554 IonicContact NH2-OD1 3.87Å; D554-V561 PolarHBondContact N-O 3.23Å; D554-V561 PolarHBondContact O-N 2.82Å; D554-L593 HydrophobicContact CB-CD2 4.08Å; D554-Q594 WeakPolarHBondContact OD2-CA 3.13Å; D554-Y595 PolarHBondContact OD2-N 2.67Å; D554-Y595 VanDerWaalsContact OD2-N 3.1Å; D554-R634 IonicContact OD2-NH1 3.43Å
555	F	97.6	Very high	97.7	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158.9	-176.2	80.3	-80.6	0	0	0	113.5	R510 R512 I515 V517 Y559 I560 T574	R510-F555 HydrophobicContact CB-CD1 3.82Å; R510-F555 HydrophobicContact CB-CE1 3.86Å; R510-F555 HydrophobicContact CG-CD1 3.68Å; R510-F555 HydrophobicContact CG-CE1 3.76Å; R512-F555 HydrophobicContact CB-CE1 4.35Å; R512-F555 HydrophobicContact CB-CE2 4.21Å; R512-F555 HydrophobicContact CB-CZ 3.73Å; I515-F555 HydrophobicContact CB-CE2 4.07Å; I515-F555 HydrophobicContact CB-CZ 4.05Å; I515-F555 HydrophobicContact CG2-CE2 4.11Å; I515-F555 HydrophobicContact CG2-CZ 4.09Å; I515-F555 WeakPolarHBondContact O-CZ 3.47Å; V517-F555 HydrophobicContact CB-CD1 4.23Å; V517-F555 HydrophobicContact CB-CE1 4.35Å; V517-F555 HydrophobicContact CG2-CD1 3.74Å; V517-F555 HydrophobicContact CG2-CE1 3.79Å; V517-F555 HydrophobicContact CG2-CG 4.17Å; V517-F555 HydrophobicContact CG2-CZ 4.25Å; F555-Y559 VanDerWaalsContact CA-O 3.26Å; F555-Y559 WeakPolarHBondContact CA-O 3.39Å; F555-Y559 WeakPolarHBondContact CB-O 3.49Å; F555-I560 HydrophobicContact CB-CB 4.2Å; F555-I560 HydrophobicContact CB-CG1 3.85Å; F555-I560 HydrophobicContact CB-CG2 4.47Å; F555-I560 HydrophobicContact CG-CG1 4.43Å; F555-T574 HydrophobicContact CD2-CG2 4.25Å
556	D	96.2	Very high	97.9	Very high	30 Å²	30	29.7 Å²	29.7	16%	0.16	15%	0.151	C	C	.	.			trans	-129.6	-171.5	165.5	73.3	6.6	0	0	0	111	K558 Y559 T574 Y595	D556-K558 PolarHBondContact O-N 2.99Å; D556-K558 VanDerWaalsContact O-N 3.07Å; D556-K558 WeakPolarHBondContact OD1-CA 3.28Å; D556-K558 PolarHBondContact OD1-N 3.35Å; D556-Y559 PolarHBondContact N-O 3.28Å; D556-Y559 PolarHBondContact OD1-N 3.32Å; D556-T574 PolarHBondContact O-OG1 2.86Å; D556-Y595 HydrophobicContact CB-CE1 4.23Å; D556-Y595 VanDerWaalsContact CG-CE1 3.48Å; D556-Y595 PolarHBondContact OD2-OH 3.35Å; D556-Y595 VanDerWaalsContact OD2-OH 3.11Å
557	D	94.4	Very high	97.9	Very high	77 Å²	77	35.8 Å²	35.8	41%	0.412	17%	0.174	S	C	.	.	S	Bend	trans	-67.9	-4.7	-176.4	-50.7	-61.9	0	0	0	113.4	R512 N513	R512-D557 IonicContact CZ-OD2 3.4Å; R512-D557 IonicContact NE-OD1 3.8Å; R512-D557 IonicContact NE-OD2 2.73Å; R512-D557 IonicContact NH2-OD2 3.21Å; R512-D557 PolarHBondContact NH2-OD2 2.88Å; N513-D557 PolarHBondContact ND2-OD1 2.85Å
558	K	96.2	Very high	97.9	Very high	91 Å²	91	26.7 Å²	26.7	40%	0.396	14%	0.142	S	C	.	.	S	Bend	trans	-115	-46.3	178.7	-171.6	-175.8	178.9	-165.7	0	112.8	D556 T574 E615	D556-K558 PolarHBondContact O-N 2.99Å; D556-K558 VanDerWaalsContact O-N 3.07Å; D556-K558 WeakPolarHBondContact OD1-CA 3.28Å; D556-K558 PolarHBondContact OD1-N 3.35Å; K558-T574 VanDerWaalsContact C-OG1 3.25Å; K558-T574 PolarHBondContact O-N 2.94Å; K558-T574 PolarHBondContact O-OG1 2.91Å; K558-E615 IonicContact NZ-OE1 3.63Å; K558-E615 PolarHBondContact NZ-OE1 2.81Å; K558-E615 IonicContact NZ-OE2 3.72Å; K558-E615 PolarHBondContact NZ-OE2 3.42Å
559	Y	98	Very high	97.9	Very high	23 Å²	23	25 Å²	25	9%	0.09	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.6	-174.3	-64	-52.4	0	0	0	114.7	F555 D556 V571 W572 T574 V580 I614	F555-Y559 VanDerWaalsContact CA-O 3.26Å; F555-Y559 WeakPolarHBondContact CA-O 3.39Å; F555-Y559 WeakPolarHBondContact CB-O 3.49Å; D556-Y559 PolarHBondContact N-O 3.28Å; D556-Y559 PolarHBondContact OD1-N 3.32Å; Y559-V571 HydrophobicContact CD1-CG1 3.71Å; Y559-V571 HydrophobicContact CD2-CG1 4.36Å; Y559-V571 HydrophobicContact CE1-CG1 4.25Å; Y559-V571 HydrophobicContact CG-CG1 3.78Å; Y559-W572 CarbonylContact C-O 3.54Å; Y559-W572 VanDerWaalsContact CA-O 3.31Å; Y559-W572 WeakPolarHBondContact CA-O 3.49Å; Y559-T574 WeakPolarHBondContact CA-OG1 3.35Å; Y559-T574 PolarHBondContact N-OG1 2.86Å; Y559-T574 VanDerWaalsContact N-OG1 3.13Å; Y559-V580 HydrophobicContact CD1-CG2 4.3Å; Y559-V580 HydrophobicContact CE1-CG1 4.16Å; Y559-V580 HydrophobicContact CE1-CG2 3.95Å; Y559-I614 HydrophobicContact CD2-CD1 4.45Å; Y559-I614 HydrophobicContact CD2-CG1 3.54Å; Y559-I614 HydrophobicContact CD2-CG2 4.45Å; Y559-I614 HydrophobicContact CE2-CG1 3.94Å; Y559-I614 HydrophobicContact CE2-CG2 4.42Å; Y559-I614 HydrophobicContact CG-CG1 4.32Å
560	I	98.3	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.7	161.1	-59.1	169.1	0	0	0	108.1	V517 V527 L543 V553 F555 W572 T574	V517-I560 HydrophobicContact CG1-CG2 4.15Å; V517-I560 HydrophobicContact CG2-CD1 4.22Å; V517-I560 HydrophobicContact CG2-CG1 4.49Å; V527-I560 HydrophobicContact CG2-CD1 3.77Å; L543-I560 HydrophobicContact CD1-CD1 4.38Å; L543-I560 HydrophobicContact CD1-CG2 4.44Å; V553-I560 HydrophobicContact CG2-CG2 3.74Å; F555-I560 HydrophobicContact CB-CB 4.2Å; F555-I560 HydrophobicContact CB-CG1 3.85Å; F555-I560 HydrophobicContact CB-CG2 4.47Å; F555-I560 HydrophobicContact CG-CG1 4.43Å; I560-W572 HydrophobicContact CB-CB 4.34Å; I560-W572 PolarHBondContact N-O 3.35Å; I560-W572 PolarHBondContact O-N 3.26Å; I560-T574 HydrophobicContact CG1-CG2 4.46Å; I560-T574 PolarHBondContact N-OG1 2.84Å
561	V	98.5	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.6	-177.9	-175.8	0	0	0	0	109.8	V553 D554 I569 K570 L593 Y595 V600 I614	V553-V561 WeakPolarHBondContact CA-O 3.46Å; D554-V561 PolarHBondContact N-O 3.23Å; D554-V561 PolarHBondContact O-N 2.82Å; V561-I569 HydrophobicContact CG1-CG2 3.46Å; V561-I569 VanDerWaalsContact CG1-CG2 3.46Å; V561-K570 WeakPolarHBondContact CA-O 3.48Å; V561-L593 HydrophobicContact CB-CD2 4.37Å; V561-L593 HydrophobicContact CG1-CD1 3.83Å; V561-L593 HydrophobicContact CG1-CD2 3.9Å; V561-Y595 HydrophobicContact CB-CD1 4.29Å; V561-Y595 HydrophobicContact CB-CG 4.33Å; V561-Y595 HydrophobicContact CG2-CD1 3.49Å; V561-Y595 VanDerWaalsContact CG2-CD1 3.49Å; V561-Y595 HydrophobicContact CG2-CD2 4.28Å; V561-Y595 HydrophobicContact CG2-CE1 3.96Å; V561-Y595 HydrophobicContact CG2-CG 3.69Å; V561-V600 HydrophobicContact CG1-CG1 4.3Å; V561-V600 HydrophobicContact CG1-CG2 4.15Å; V561-I614 HydrophobicContact CG2-CD1 3.71Å
562	S	98.5	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.3	-176.5	62.2	0	0	0	0	111.8	I525 H546 I569 K570 W572	I525-S562 WeakPolarHBondContact CD1-OG 3.42Å; H546-S562 PolarHBondContact NE2-O 2.6Å; H546-S562 PolarHBondContact NE2-OG 2.92Å; S562-I569 CarbonylContact O-C 3.57Å; S562-I569 VanDerWaalsContact O-CA 3.25Å; S562-I569 WeakPolarHBondContact O-CA 3.42Å; S562-I569 WeakPolarHBondContact O-CG2 3.15Å; S562-K570 PolarHBondContact N-O 3.09Å; S562-K570 PolarHBondContact O-N 3.32Å; S562-W572 PolarHBondContact OG-NE1 3.1Å
563	A	98.6	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146	176	0	0	0	0	0	113.2	N551 V552 I569 I590 L593	N551-A563 PolarHBondContact N-O 3.02Å; V552-A563 HydrophobicContact CG1-CB 3.79Å; V552-A563 PolarHBondContact O-N 3.15Å; A563-I569 HydrophobicContact CB-CG1 4.08Å; A563-I569 HydrophobicContact CB-CG2 4.45Å; A563-I590 HydrophobicContact CB-CB 3.95Å; A563-I590 HydrophobicContact CB-CD1 4.19Å; A563-I590 HydrophobicContact CB-CG2 3.7Å; A563-L593 HydrophobicContact CB-CD1 3.85Å
564	S	98.6	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	162	-162.9	169.1	0	0	0	0	113.9	H546 A548 A549 D566 R567 T568 I590	H546-S564 WeakPolarHBondContact ND1-CB 3.47Å; A548-S564 VanDerWaalsContact C-OG 3.31Å; A548-S564 PolarHBondContact O-OG 2.98Å; A549-S564 VanDerWaalsContact O-CA 3.26Å; A549-S564 WeakPolarHBondContact O-CA 3.27Å; A549-S564 WeakPolarHBondContact O-CB 3.4Å; A549-S564 PolarHBondContact O-OG 3.43Å; S564-D566 WeakPolarHBondContact CB-OD1 3.31Å; S564-D566 PolarHBondContact O-N 3.24Å; S564-D566 VanDerWaalsContact OG-CG 3.27Å; S564-D566 PolarHBondContact OG-N 3.31Å; S564-D566 PolarHBondContact OG-OD2 3.35Å; S564-R567 PolarHBondContact O-N 2.95Å; S564-T568 PolarHBondContact N-O 3.14Å; S564-I590 PolarHBondContact O-N 3.47Å
565	G	98	Very high	97.6	Very high	30 Å²	30	30.4 Å²	30.4	31%	0.309	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-18.7	162.3	0	0	0	0	0	114.2	A549 N551 R567	A549-G565 PolarHBondContact O-N 3.12Å; N551-G565 PolarHBondContact ND2-N 3.13Å; G565-R567 PolarHBondContact O-N 2.87Å; G565-R567 VanDerWaalsContact O-N 3.14Å
566	D	98.1	Very high	97.5	Very high	26 Å²	26	34.7 Å²	34.7	14%	0.139	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	0.1	177.5	72.5	18.4	0	0	0	114.7	H546 R547 A548 S564 T568	H546-D566 VanDerWaalsContact CA-OD2 3.28Å; H546-D566 WeakPolarHBondContact CA-OD2 3.41Å; H546-D566 IonicContact CG-OD2 2.69Å; H546-D566 IonicContact ND1-OD1 3.46Å; H546-D566 PolarHBondContact ND1-OD1 3.19Å; H546-D566 IonicContact ND1-OD2 3.91Å; H546-D566 PolarHBondContact ND1-OD2 2.94Å; R547-D566 HydrophobicContact CB-CB 4Å; R547-D566 PolarHBondContact N-OD2 3.2Å; A548-D566 HydrophobicContact CB-CB 4.19Å; S564-D566 WeakPolarHBondContact CB-OD1 3.31Å; S564-D566 PolarHBondContact O-N 3.24Å; S564-D566 VanDerWaalsContact OG-CG 3.27Å; S564-D566 PolarHBondContact OG-N 3.31Å; S564-D566 PolarHBondContact OG-OD2 3.35Å; D566-T568 VanDerWaalsContact C-N 3.32Å; D566-T568 WeakPolarHBondContact OD1-CB 3.27Å; D566-T568 PolarHBondContact OD1-N 2.7Å; D566-T568 PolarHBondContact OD1-OG1 2.76Å
567	R	98.4	Very high	97.5	Very high	140 Å²	140	33.4 Å²	33.4	53%	0.528	17%	0.174	S	C	.	.	S	Bend	trans	77.6	9.3	178.9	-41.7	171.7	-76.4	-167.8	-2.6	114.4	S564 G565 R587	S564-R567 PolarHBondContact O-N 2.95Å; G565-R567 PolarHBondContact O-N 2.87Å; G565-R567 VanDerWaalsContact O-N 3.14Å; R567-R587 WeakPolarHBondContact CD-O 3.27Å
568	T	98.4	Very high	97.6	Very high	26 Å²	26	32.1 Å²	32.1	16%	0.16	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.2	-179.7	75	0	0	0	0	112.7	H546 S564 D566 T582 T584	H546-T568 PolarHBondContact CE1-OG1 3.47Å; H546-T568 PolarHBondContact ND1-OG1 2.83Å; S564-T568 PolarHBondContact N-O 3.14Å; D566-T568 VanDerWaalsContact C-N 3.32Å; D566-T568 WeakPolarHBondContact OD1-CB 3.27Å; D566-T568 PolarHBondContact OD1-N 2.7Å; D566-T568 PolarHBondContact OD1-OG1 2.76Å; T568-T582 HydrophobicContact CG2-CG2 3.91Å; T568-T584 HydrophobicContact CG2-CG2 4.3Å
569	I	98.7	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.6	161.8	-48.1	173.1	0	0	0	106.5	V561 S562 A563 T582 L583 I590 L593 V600 W612	V561-I569 HydrophobicContact CG1-CG2 3.46Å; V561-I569 VanDerWaalsContact CG1-CG2 3.46Å; S562-I569 CarbonylContact O-C 3.57Å; S562-I569 VanDerWaalsContact O-CA 3.25Å; S562-I569 WeakPolarHBondContact O-CA 3.42Å; S562-I569 WeakPolarHBondContact O-CG2 3.15Å; A563-I569 HydrophobicContact CB-CG1 4.08Å; A563-I569 HydrophobicContact CB-CG2 4.45Å; I569-T582 CarbonylContact O-C 3.59Å; I569-T582 VanDerWaalsContact O-CA 3.29Å; I569-T582 WeakPolarHBondContact O-CA 3.15Å; I569-T582 WeakPolarHBondContact O-CG2 3.19Å; I569-L583 HydrophobicContact CB-CB 4Å; I569-L583 HydrophobicContact CB-CD1 4.22Å; I569-L583 HydrophobicContact CB-CG 4.19Å; I569-L583 HydrophobicContact CD1-CB 4.39Å; I569-L583 HydrophobicContact CD1-CD1 4.14Å; I569-L583 HydrophobicContact CG1-CB 4.48Å; I569-L583 HydrophobicContact CG2-CD1 4.27Å; I569-L583 PolarHBondContact N-O 2.91Å; I569-L583 VanDerWaalsContact N-O 3.1Å; I569-L583 PolarHBondContact O-N 3.21Å; I569-I590 HydrophobicContact CD1-CD1 4.19Å; I569-I590 HydrophobicContact CG1-CD1 3.42Å; I569-I590 VanDerWaalsContact CG1-CD1 3.42Å; I569-L593 HydrophobicContact CD1-CD1 3.96Å; I569-L593 HydrophobicContact CG1-CD1 4.19Å; I569-L593 HydrophobicContact CG2-CD1 3.68Å; I569-V600 HydrophobicContact CD1-CG1 4.04Å; I569-W612 HydrophobicContact CD1-CZ2 4.34Å
570	K	98.5	Very high	97.7	Very high	29 Å²	29	35.2 Å²	35.2	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.5	173.3	-71.4	-178.5	175.1	-68	0	110.4	G545 V561 S562 W572 T582	G545-K570 VanDerWaalsContact O-CE 3.29Å; G545-K570 WeakPolarHBondContact O-CE 3.42Å; V561-K570 WeakPolarHBondContact CA-O 3.48Å; S562-K570 PolarHBondContact N-O 3.09Å; S562-K570 PolarHBondContact O-N 3.32Å; K570-W572 HydrophobicContact CB-CZ2 3.91Å; K570-W572 HydrophobicContact CD-CH2 4.3Å; K570-W572 HydrophobicContact CD-CZ2 3.74Å; K570-W572 HydrophobicContact CG-CZ2 4.46Å; K570-T582 HydrophobicContact CG-CG2 4.21Å; K570-T582 PolarHBondContact NZ-OG1 2.92Å
571	V	98.4	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.8	177.7	-174.2	0	0	0	0	107.7	Y559 V580 R581 L583 I614	Y559-V571 HydrophobicContact CD1-CG1 3.71Å; Y559-V571 HydrophobicContact CD2-CG1 4.36Å; Y559-V571 HydrophobicContact CE1-CG1 4.25Å; Y559-V571 HydrophobicContact CG-CG1 3.78Å; V571-V580 HydrophobicContact CB-CB 4.31Å; V571-V580 HydrophobicContact CG1-CB 4.14Å; V571-V580 HydrophobicContact CG1-CG1 4.48Å; V571-V580 WeakPolarHBondContact O-CB 3.47Å; V571-V580 PolarHBondContact O-N 3.2Å; V571-R581 HydrophobicContact CB-CG 3.98Å; V571-R581 HydrophobicContact CG2-CG 3.82Å; V571-R581 PolarHBondContact N-O 3.17Å; V571-R581 PolarHBondContact O-N 2.85Å; V571-L583 HydrophobicContact CG2-CG 4.45Å; V571-I614 HydrophobicContact CB-CD1 4.34Å; V571-I614 HydrophobicContact CG1-CD1 3.8Å; V571-I614 HydrophobicContact CG1-CG1 4.31Å; V571-I614 HydrophobicContact CG2-CD1 3.55Å
572	W	98.2	Very high	97.6	Very high	16 Å²	16	40.2 Å²	40.2	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.8	179.5	-39.3	80.9	0	0	0	108.5	I525 L543 Y559 I560 S562 K570 A578	I525-W572 HydrophobicContact CD1-CZ2 4.4Å; L543-W572 HydrophobicContact CB-CD2 4.38Å; L543-W572 HydrophobicContact CB-CE3 4.32Å; L543-W572 HydrophobicContact CB-CH2 4.3Å; L543-W572 HydrophobicContact CB-CZ2 4.34Å; L543-W572 HydrophobicContact CB-CZ3 4.29Å; L543-W572 HydrophobicContact CD1-CB 4.22Å; L543-W572 HydrophobicContact CD1-CD2 3.97Å; L543-W572 HydrophobicContact CD1-CE3 4.46Å; L543-W572 HydrophobicContact CD1-CG 3.84Å; Y559-W572 CarbonylContact C-O 3.54Å; Y559-W572 VanDerWaalsContact CA-O 3.31Å; Y559-W572 WeakPolarHBondContact CA-O 3.49Å; I560-W572 HydrophobicContact CB-CB 4.34Å; I560-W572 PolarHBondContact N-O 3.35Å; I560-W572 PolarHBondContact O-N 3.26Å; S562-W572 PolarHBondContact OG-NE1 3.1Å; K570-W572 HydrophobicContact CB-CZ2 3.91Å; K570-W572 HydrophobicContact CD-CH2 4.3Å; K570-W572 HydrophobicContact CD-CZ2 3.74Å; K570-W572 HydrophobicContact CG-CZ2 4.46Å; W572-A578 CarbonylContact C-O 3.53Å; W572-A578 WeakPolarHBondContact CA-O 3.44Å
573	A	97.6	Very high	97.5	Very high	19 Å²	19	40.4 Å²	40.4	16%	0.157	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.7	174	0	0	0	0	0	110.4	T576 C577 A578 V580	A573-T576 WeakPolarHBondContact CB-OG1 3.39Å; A573-C577 WeakPolarHBondContact O-CA 3.39Å; A573-C577 PolarHBondContact O-N 3.01Å; A573-A578 PolarHBondContact N-O 2.92Å; A573-V580 HydrophobicContact CB-CG2 4.22Å
574	T	96.1	Very high	97.5	Very high	3 Å²	3	45 Å²	45	2%	0.018	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-42.2	-177	-58.1	0	0	0	0	112	I515 F555 D556 K558 Y559 I560	I515-T574 HydrophobicContact CD1-CG2 4.03Å; F555-T574 HydrophobicContact CD2-CG2 4.25Å; D556-T574 PolarHBondContact O-OG1 2.86Å; K558-T574 VanDerWaalsContact C-OG1 3.25Å; K558-T574 PolarHBondContact O-N 2.94Å; K558-T574 PolarHBondContact O-OG1 2.91Å; Y559-T574 WeakPolarHBondContact CA-OG1 3.35Å; Y559-T574 PolarHBondContact N-OG1 2.86Å; Y559-T574 VanDerWaalsContact N-OG1 3.13Å; I560-T574 HydrophobicContact CG1-CG2 4.46Å; I560-T574 PolarHBondContact N-OG1 2.84Å
575	D	94.7	Very high	97.3	Very high	122 Å²	122	46.6 Å²	46.6	65%	0.652	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-52.5	-177.9	-58.5	-48	0	0	0	112.7
576	T	95.8	Very high	97.3	Very high	97 Å²	97	45.7 Å²	45.7	60%	0.595	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-4.7	-171.2	62.2	0	0	0	0	114.1	A573 A578	A573-T576 WeakPolarHBondContact CB-OG1 3.39Å; T576-A578 PolarHBondContact O-N 3Å
577	C	95.7	Very high	97.3	Very high	3 Å²	3	54 Å²	54	2%	0.02	28%	0.276	C	S	.	.			trans	54.7	14.8	-176.3	-73.1	0	0	0	0	114.8	Q541 L543 A573	Q541-C577 HydrophobicContact CB-CB 4.26Å; Q541-C577 VanDerWaalsContact CD-CB 3.42Å; Q541-C577 HydrophobicContact CG-CB 4.24Å; Q541-C577 VanDerWaalsContact OE1-CB 3.29Å; L543-C577 HydrophobicContact CD2-CB 3.6Å; A573-C577 WeakPolarHBondContact O-CA 3.39Å; A573-C577 PolarHBondContact O-N 3.01Å
578	A	97.2	Very high	97.3	Very high	49 Å²	49	54.6 Å²	54.6	41%	0.405	28%	0.278	S	S	.	.			trans	-80.3	146.7	-177.3	0	0	0	0	0	112.2	W572 A573 T576	W572-A578 CarbonylContact C-O 3.53Å; W572-A578 WeakPolarHBondContact CA-O 3.44Å; A573-A578 PolarHBondContact N-O 2.92Å; T576-A578 PolarHBondContact O-N 3Å
579	Y	97.6	Very high	97.2	Very high	126 Å²	126	54 Å²	54	49%	0.494	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.6	175.1	167.9	-100.5	0	0	0	111.7	R581 T582	Y579-R581 WeakPolarHBondContact CE2-O 3.43Å; Y579-T582 VanDerWaalsContact CE2-OG1 3.23Å; Y579-T582 WeakPolarHBondContact CE2-OG1 3.27Å; Y579-T582 PolarHBondContact OH-N 2.86Å; Y579-T582 PolarHBondContact OH-OG1 3.26Å
580	V	97.4	Very high	97.2	Very high	54 Å²	54	54 Å²	54	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-57.4	-178.4	-179.4	0	0	0	0	111.2	Y559 V571 A573	Y559-V580 HydrophobicContact CD1-CG2 4.3Å; Y559-V580 HydrophobicContact CE1-CG1 4.16Å; Y559-V580 HydrophobicContact CE1-CG2 3.95Å; V571-V580 HydrophobicContact CB-CB 4.31Å; V571-V580 HydrophobicContact CG1-CB 4.14Å; V571-V580 HydrophobicContact CG1-CG1 4.48Å; V571-V580 WeakPolarHBondContact O-CB 3.47Å; V571-V580 PolarHBondContact O-N 3.2Å; A573-V580 HydrophobicContact CB-CG2 4.22Å
581	R	97	Very high	97.2	Very high	67 Å²	67	53.1 Å²	53.1	25%	0.253	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	163.3	178.7	69.4	-171.9	78.2	-157.6	13.2	112.6	V571 Y579 L583 I614 E615 T616	V571-R581 HydrophobicContact CB-CG 3.98Å; V571-R581 HydrophobicContact CG2-CG 3.82Å; V571-R581 PolarHBondContact N-O 3.17Å; V571-R581 PolarHBondContact O-N 2.85Å; Y579-R581 WeakPolarHBondContact CE2-O 3.43Å; R581-L583 HydrophobicContact CG-CD2 4.08Å; R581-I614 PolarHBondContact NE-O 2.77Å; R581-E615 PolarHBondContact NH1-O 3.17Å; R581-E615 PolarHBondContact NH2-O 3.47Å; R581-T616 PolarHBondContact NH1-O 2.9Å; R581-T616 VanDerWaalsContact NH1-O 3.17Å
582	T	97.8	Very high	97.2	Very high	37 Å²	37	53.5 Å²	53.5	23%	0.227	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.1	171.4	-56.2	0	0	0	0	108.5	T568 I569 K570 Y579 T584	T568-T582 HydrophobicContact CG2-CG2 3.91Å; I569-T582 CarbonylContact O-C 3.59Å; I569-T582 VanDerWaalsContact O-CA 3.29Å; I569-T582 WeakPolarHBondContact O-CA 3.15Å; I569-T582 WeakPolarHBondContact O-CG2 3.19Å; K570-T582 HydrophobicContact CG-CG2 4.21Å; K570-T582 PolarHBondContact NZ-OG1 2.92Å; Y579-T582 VanDerWaalsContact CE2-OG1 3.23Å; Y579-T582 WeakPolarHBondContact CE2-OG1 3.27Å; Y579-T582 PolarHBondContact OH-N 2.86Å; Y579-T582 PolarHBondContact OH-OG1 3.26Å; T582-T584 HydrophobicContact CG2-CG2 3.88Å
583	L	97.8	Very high	97.2	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.2	171.5	-40.1	-179.8	0	0	0	108.5	I569 V571 R581 W612 G617	I569-L583 HydrophobicContact CB-CB 4Å; I569-L583 HydrophobicContact CB-CD1 4.22Å; I569-L583 HydrophobicContact CB-CG 4.19Å; I569-L583 HydrophobicContact CD1-CB 4.39Å; I569-L583 HydrophobicContact CD1-CD1 4.14Å; I569-L583 HydrophobicContact CG1-CB 4.48Å; I569-L583 HydrophobicContact CG2-CD1 4.27Å; I569-L583 PolarHBondContact N-O 2.91Å; I569-L583 VanDerWaalsContact N-O 3.1Å; I569-L583 PolarHBondContact O-N 3.21Å; V571-L583 HydrophobicContact CG2-CG 4.45Å; R581-L583 HydrophobicContact CG-CD2 4.08Å; L583-W612 HydrophobicContact CB-CD2 4.22Å; L583-W612 HydrophobicContact CB-CE3 3.9Å; L583-W612 HydrophobicContact CB-CH2 4.49Å; L583-W612 HydrophobicContact CB-CZ3 4.05Å; L583-W612 HydrophobicContact CD1-CB 3.89Å; L583-W612 HydrophobicContact CD1-CD2 4.14Å; L583-W612 HydrophobicContact CD1-CE3 4.41Å; L583-W612 HydrophobicContact CD1-CG 3.93Å; L583-G617 VanDerWaalsContact CD2-CA 3.48Å
584	T	96.9	Very high	97.3	Very high	96 Å²	96	52.5 Å²	52.5	59%	0.589	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.5	-174.5	57.8	0	0	0	0	110.9	T568 T582 W612	T568-T584 HydrophobicContact CG2-CG2 4.3Å; T582-T584 HydrophobicContact CG2-CG2 3.88Å; T584-W612 WeakPolarHBondContact O-CH2 3.45Å; T584-W612 WeakPolarHBondContact O-CZ3 3.32Å
585	G	95.7	Very high	97.4	Very high	34 Å²	34	53 Å²	53	35%	0.351	27%	0.273	S	S	.	.			trans	154.7	-18.9	175.8	0	0	0	0	0	115	R610	G585-R610 PolarHBondContact O-NH2 3.02Å; G585-R610 VanDerWaalsContact O-NH2 3.07Å
586	H	98	Very high	97.4	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.051	26%	0.257	C	S	.	.			trans	-64.6	139.5	166.2	-85.2	-63.8	0	0	0	110.5	I590 S602 S604 D606 T608	H586-I590 HydrophobicContact CB-CD1 4.36Å; H586-I590 HydrophobicContact CB-CG1 4.13Å; H586-S602 PolarHBondContact NE2-OG 2.65Å; H586-S604 WeakPolarHBondContact CE1-CB 3.43Å; H586-S604 WeakPolarHBondContact ND1-CB 3.12Å; H586-D606 VanDerWaalsContact CA-OD2 3.27Å; H586-D606 WeakPolarHBondContact CA-OD2 3.45Å; H586-D606 WeakPolarHBondContact CB-OD2 3.38Å; H586-D606 IonicContact CE1-OD1 3.25Å; H586-D606 IonicContact CG-OD2 3.57Å; H586-D606 IonicContact ND1-OD1 2.92Å; H586-D606 PolarHBondContact ND1-OD1 3.24Å; H586-D606 IonicContact ND1-OD2 3.03Å; H586-D606 PolarHBondContact ND1-OD2 2.92Å; H586-T608 PolarHBondContact CE1-OG1 2.95Å; H586-T608 PolarHBondContact ND1-OG1 2.91Å
587	R	97.5	Very high	97.3	Very high	200 Å²	200	51.5 Å²	51.5	76%	0.755	26%	0.255	S	S	*	.	S	Bend	trans	-85.2	-24.1	-176.2	-55.8	-172.8	-174.8	-148.4	5.3	112.3	R567 D606	R567-R587 WeakPolarHBondContact CD-O 3.27Å; R587-D606 HydrophobicContact CB-CB 3.97Å; R587-D606 PolarHBondContact N-OD2 2.94Å
588	R	98.2	Very high	97.3	Very high	152 Å²	152	57.6 Å²	57.6	57%	0.574	28%	0.277	S	S	*	.	S	Bend	trans	-136.3	174.5	178.6	-66.8	170.8	166.8	-179.6	-2.3	110.8	S604 S605 D606	R588-S604 PolarHBondContact O-OG 3.38Å; R588-S605 WeakPolarHBondContact CD-O 3.34Å; R588-S605 PolarHBondContact NH1-O 2.94Å; R588-D606 HydrophobicContact CB-CB 4.13Å; R588-D606 HydrophobicContact CG-CB 4.38Å
589	G	97.6	Very high	97.3	Very high	14 Å²	14	56.6 Å²	56.6	14%	0.144	27%	0.265	C	S	.	.			trans	-58.8	141.6	-172.8	0	0	0	0	0	113.4	S604 S605	G589-S604 PolarHBondContact O-OG 3.49Å; G589-S605 PolarHBondContact O-N 3.49Å; G589-S605 PolarHBondContact O-OG 3.04Å
590	I	98.6	Very high	97.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.1	-176.5	-53.1	178	0	0	0	108.4	N551 A563 S564 I569 H586 G603	N551-I590 PolarHBondContact ND2-O 2.9Å; A563-I590 HydrophobicContact CB-CB 3.95Å; A563-I590 HydrophobicContact CB-CD1 4.19Å; A563-I590 HydrophobicContact CB-CG2 3.7Å; S564-I590 PolarHBondContact O-N 3.47Å; I569-I590 HydrophobicContact CD1-CD1 4.19Å; I569-I590 HydrophobicContact CG1-CD1 3.42Å; I569-I590 VanDerWaalsContact CG1-CD1 3.42Å; H586-I590 HydrophobicContact CB-CD1 4.36Å; H586-I590 HydrophobicContact CB-CG1 4.13Å; I590-G603 WeakPolarHBondContact CG2-O 3.37Å
591	A	98.4	Very high	97.3	Very high	10 Å²	10	48 Å²	48	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-20.1	-171.3	0	0	0	0	0	113.4	G603 L629 R631	A591-G603 PolarHBondContact N-O 3.14Å; A591-L629 HydrophobicContact CB-CD2 3.86Å; A591-R631 PolarHBondContact O-NH1 2.71Å
592	C	98.2	Very high	97.4	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.054	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	156.1	174.4	58.2	0	0	0	0	112.6	S602 G603 V630 R631 C632 I633	C592-S602 WeakPolarHBondContact O-CA 3.23Å; C592-G603 PolarHBondContact N-O 2.68Å; C592-G603 PolarHBondContact O-N 3Å; C592-V630 PolarHBondContact SG-O 2.89Å; C592-R631 WeakPolarHBondContact CB-O 3.27Å; C592-C632 VanDerWaalsContact SG-C 3.56Å; C592-I633 HydrophobicContact CB-CG2 3.95Å; C592-I633 VanDerWaalsContact SG-CG2 3.55Å
593	L	98.5	Very high	97.4	Very high	8 Å²	8	43 Å²	43	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	148.8	-178.6	-175	145.1	0	0	0	109	V552 D554 V561 A563 I569 V600 V601	V552-L593 HydrophobicContact CB-CB 4.41Å; V552-L593 HydrophobicContact CG1-CB 3.55Å; V552-L593 HydrophobicContact CG2-CB 3.96Å; D554-L593 HydrophobicContact CB-CD2 4.08Å; V561-L593 HydrophobicContact CB-CD2 4.37Å; V561-L593 HydrophobicContact CG1-CD1 3.83Å; V561-L593 HydrophobicContact CG1-CD2 3.9Å; A563-L593 HydrophobicContact CB-CD1 3.85Å; I569-L593 HydrophobicContact CD1-CD1 3.96Å; I569-L593 HydrophobicContact CG1-CD1 4.19Å; I569-L593 HydrophobicContact CG2-CD1 3.68Å; L593-V600 HydrophobicContact CD1-CG1 3.62Å; L593-V600 HydrophobicContact CD2-CG1 4.29Å; L593-V600 HydrophobicContact CG-CG1 3.89Å; L593-V601 CarbonylContact C-O 3.57Å; L593-V601 VanDerWaalsContact CA-O 3.32Å; L593-V601 WeakPolarHBondContact CA-O 3.45Å
594	Q	98.5	Very high	97.5	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.8	155.5	176.7	-179.5	-28.5	0	0	108.2	D554 V601 R634 F635	D554-Q594 WeakPolarHBondContact OD2-CA 3.13Å; Q594-V601 PolarHBondContact N-O 3.02Å; Q594-V601 PolarHBondContact O-N 3.48Å; Q594-R634 VanDerWaalsContact CD-CZ 3.49Å; Q594-R634 VanDerWaalsContact OE1-NE 3.11Å; Q594-F635 HydrophobicContact CB-CD1 3.89Å; Q594-F635 HydrophobicContact CB-CE1 3.8Å; Q594-F635 HydrophobicContact CG-CD1 3.85Å; Q594-F635 HydrophobicContact CG-CE1 3.58Å; Q594-F635 PolarHBondContact NE2-O 3.3Å
595	Y	98	Very high	97.5	Very high	13 Å²	13	39.7 Å²	39.7	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	169.6	172.5	-135.1	0	0	0	108.9	D554 D556 V561 D597 L599 V600 I614	D554-Y595 PolarHBondContact OD2-N 2.67Å; D554-Y595 VanDerWaalsContact OD2-N 3.1Å; D556-Y595 HydrophobicContact CB-CE1 4.23Å; D556-Y595 VanDerWaalsContact CG-CE1 3.48Å; D556-Y595 PolarHBondContact OD2-OH 3.35Å; D556-Y595 VanDerWaalsContact OD2-OH 3.11Å; V561-Y595 HydrophobicContact CB-CD1 4.29Å; V561-Y595 HydrophobicContact CB-CG 4.33Å; V561-Y595 HydrophobicContact CG2-CD1 3.49Å; V561-Y595 VanDerWaalsContact CG2-CD1 3.49Å; V561-Y595 HydrophobicContact CG2-CD2 4.28Å; V561-Y595 HydrophobicContact CG2-CE1 3.96Å; V561-Y595 HydrophobicContact CG2-CG 3.69Å; Y595-D597 VanDerWaalsContact CE2-O 3.27Å; Y595-D597 WeakPolarHBondContact CE2-O 3.22Å; Y595-D597 PolarHBondContact OH-O 2.58Å; Y595-L599 WeakPolarHBondContact CD2-O 3.45Å; Y595-V600 HydrophobicContact CD2-CG2 3.72Å; Y595-V600 HydrophobicContact CE2-CG2 4.45Å; Y595-V600 HydrophobicContact CG-CG2 4.34Å; Y595-I614 HydrophobicContact CE2-CB 4.02Å; Y595-I614 HydrophobicContact CE2-CD1 4.24Å; Y595-I614 HydrophobicContact CE2-CG1 3.95Å; Y595-I614 HydrophobicContact CE2-CG2 4.11Å
596	R	95.7	Very high	97.6	Very high	86 Å²	86	39.1 Å²	39.1	33%	0.325	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	137	173.5	-161.3	172.6	69.8	78.4	1.4	110.5	R598 L599 F635 D636	R596-R598 PolarHBondContact O-N 2.96Å; R596-L599 PolarHBondContact N-O 3.41Å; R596-L599 PolarHBondContact O-N 2.58Å; R596-L599 VanDerWaalsContact O-O 3.14Å; R596-F635 HydrophobicContact CB-CE1 4.35Å; R596-F635 HydrophobicContact CB-CE2 4.05Å; R596-F635 HydrophobicContact CB-CZ 3.6Å; R596-D636 PolarHBondContact NH2-O 3.26Å
597	D	93.3	Very high	97.6	Very high	102 Å²	102	40.6 Å²	40.6	55%	0.545	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-117.6	-179.6	-42.3	-37.3	0	0	0	110.3	Y595	Y595-D597 VanDerWaalsContact CE2-O 3.27Å; Y595-D597 WeakPolarHBondContact CE2-O 3.22Å; Y595-D597 PolarHBondContact OH-O 2.58Å
598	R	94.7	Very high	97.7	Very high	131 Å²	131	31.8 Å²	31.8	49%	0.494	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.2	175.9	-173.3	164.8	174.6	-179.7	-3.6	113.9	R596 D613 I614 E615	R596-R598 PolarHBondContact O-N 2.96Å; R598-D613 WeakPolarHBondContact CG-OD1 3.15Å; R598-D613 IonicContact CZ-OD1 3.58Å; R598-D613 IonicContact CZ-OD2 3.43Å; R598-D613 VanDerWaalsContact NE-CG 3.35Å; R598-D613 IonicContact NE-OD1 2.65Å; R598-D613 PolarHBondContact NE-OD1 3.06Å; R598-D613 IonicContact NE-OD2 3.38Å; R598-D613 PolarHBondContact NE-OD2 3.38Å; R598-D613 IonicContact NH2-OD1 2.88Å; R598-D613 IonicContact NH2-OD2 2.71Å; R598-D613 PolarHBondContact NH2-OD2 2.98Å; R598-I614 HydrophobicContact CG-CG2 4.29Å; R598-I614 PolarHBondContact O-N 3.04Å; R598-E615 HydrophobicContact CG-CG 4.23Å
599	L	97.1	Very high	97.7	Very high	27 Å²	27	24.5 Å²	24.5	14%	0.141	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.1	-166.9	-62.8	178.6	0	0	0	112.9	Y595 R596 I611 F620 F635 L658	Y595-L599 WeakPolarHBondContact CD2-O 3.45Å; R596-L599 PolarHBondContact N-O 3.41Å; R596-L599 PolarHBondContact O-N 2.58Å; R596-L599 VanDerWaalsContact O-O 3.14Å; L599-I611 HydrophobicContact CD2-CG2 4.2Å; L599-F620 HydrophobicContact CD2-CD2 4.26Å; L599-F620 HydrophobicContact CD2-CE2 3.95Å; L599-F635 HydrophobicContact CB-CE2 4.17Å; L599-F635 HydrophobicContact CB-CZ 4Å; L599-F635 HydrophobicContact CD1-CE2 4.41Å; L599-L658 HydrophobicContact CD1-CD1 4.01Å; L599-L658 HydrophobicContact CD1-CD2 4.13Å; L599-L658 HydrophobicContact CD2-CD2 3.96Å
600	V	98.2	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.3	163	178.5	0	0	0	0	108.2	V561 I569 L593 Y595 I611 W612 I614	V561-V600 HydrophobicContact CG1-CG1 4.3Å; V561-V600 HydrophobicContact CG1-CG2 4.15Å; I569-V600 HydrophobicContact CD1-CG1 4.04Å; L593-V600 HydrophobicContact CD1-CG1 3.62Å; L593-V600 HydrophobicContact CD2-CG1 4.29Å; L593-V600 HydrophobicContact CG-CG1 3.89Å; Y595-V600 HydrophobicContact CD2-CG2 3.72Å; Y595-V600 HydrophobicContact CE2-CG2 4.45Å; Y595-V600 HydrophobicContact CG-CG2 4.34Å; V600-I611 WeakPolarHBondContact O-CA 3.47Å; V600-W612 HydrophobicContact CB-CB 4.27Å; V600-W612 PolarHBondContact N-O 3.28Å; V600-W612 PolarHBondContact O-N 3.34Å; V600-I614 HydrophobicContact CG2-CB 4.48Å; V600-I614 HydrophobicContact CG2-CD1 3.69Å
601	V	98.4	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.1	173.9	-172.7	0	0	0	0	108.8	L593 Q594 I609 R610 I611 I633 F635 I640	L593-V601 CarbonylContact C-O 3.57Å; L593-V601 VanDerWaalsContact CA-O 3.32Å; L593-V601 WeakPolarHBondContact CA-O 3.45Å; Q594-V601 PolarHBondContact N-O 3.02Å; Q594-V601 PolarHBondContact O-N 3.48Å; V601-I609 HydrophobicContact CG1-CG2 3.74Å; V601-R610 WeakPolarHBondContact CA-O 3.37Å; V601-I611 HydrophobicContact CG1-CG1 4.45Å; V601-I611 HydrophobicContact CG2-CG1 4.38Å; V601-I611 HydrophobicContact CG2-CG2 4.45Å; V601-I633 HydrophobicContact CG1-CD1 3.64Å; V601-I633 HydrophobicContact CG1-CG1 4.3Å; V601-F635 HydrophobicContact CB-CD1 3.86Å; V601-F635 HydrophobicContact CB-CE1 3.99Å; V601-F635 HydrophobicContact CG2-CD1 3.56Å; V601-F635 HydrophobicContact CG2-CD2 4.47Å; V601-F635 HydrophobicContact CG2-CE1 3.57Å; V601-F635 HydrophobicContact CG2-CE2 4.49Å; V601-F635 HydrophobicContact CG2-CG 4.04Å; V601-F635 HydrophobicContact CG2-CZ 4.06Å; V601-I640 HydrophobicContact CG1-CD1 4.26Å; V601-I640 HydrophobicContact CG1-CG2 4.28Å
602	S	98.5	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.2	-172.7	60.5	0	0	0	0	112.9	H586 C592 I609 R610 W612	H586-S602 PolarHBondContact NE2-OG 2.65Å; C592-S602 WeakPolarHBondContact O-CA 3.23Å; S602-I609 CarbonylContact O-C 3.58Å; S602-I609 VanDerWaalsContact O-CA 3.26Å; S602-I609 WeakPolarHBondContact O-CA 3.47Å; S602-R610 PolarHBondContact N-O 3.36Å; S602-R610 PolarHBondContact O-N 3.41Å; S602-W612 PolarHBondContact OG-NE1 2.83Å
603	G	98.4	Very high	97.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.7	174.9	0	0	0	0	0	112	I590 A591 C592	I590-G603 WeakPolarHBondContact CG2-O 3.37Å; A591-G603 PolarHBondContact N-O 3.14Å; C592-G603 PolarHBondContact N-O 2.68Å; C592-G603 PolarHBondContact O-N 3Å
604	S	98.5	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	165.7	-168.4	173.9	0	0	0	0	113.8	H586 R588 G589 D606 N607 T608 V630	H586-S604 WeakPolarHBondContact CE1-CB 3.43Å; H586-S604 WeakPolarHBondContact ND1-CB 3.12Å; R588-S604 PolarHBondContact O-OG 3.38Å; G589-S604 PolarHBondContact O-OG 3.49Å; S604-D606 VanDerWaalsContact CB-OD1 3.32Å; S604-D606 WeakPolarHBondContact CB-OD1 3.49Å; S604-D606 PolarHBondContact O-N 2.91Å; S604-D606 PolarHBondContact OG-N 3.08Å; S604-D606 PolarHBondContact OG-OD1 2.84Å; S604-N607 PolarHBondContact O-N 3.24Å; S604-T608 PolarHBondContact N-O 2.97Å; S604-V630 PolarHBondContact O-N 2.86Å
605	S	98.2	Very high	97.3	Very high	30 Å²	30	27.3 Å²	27.3	21%	0.21	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0.3	169	-37.6	0	0	0	0	113.3	R588 G589 N607 L629	R588-S605 WeakPolarHBondContact CD-O 3.34Å; R588-S605 PolarHBondContact NH1-O 2.94Å; G589-S605 PolarHBondContact O-N 3.49Å; G589-S605 PolarHBondContact O-OG 3.04Å; S605-N607 VanDerWaalsContact C-N 3.27Å; S605-L629 VanDerWaalsContact OG-CD1 3.28Å; S605-L629 WeakPolarHBondContact OG-CD1 3.39Å
606	D	98	Very high	97.2	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.9	166.3	69.1	19.3	0	0	0	113.3	H586 R587 R588 S604 T608	H586-D606 VanDerWaalsContact CA-OD2 3.27Å; H586-D606 WeakPolarHBondContact CA-OD2 3.45Å; H586-D606 WeakPolarHBondContact CB-OD2 3.38Å; H586-D606 IonicContact CE1-OD1 3.25Å; H586-D606 IonicContact CG-OD2 3.57Å; H586-D606 IonicContact ND1-OD1 2.92Å; H586-D606 PolarHBondContact ND1-OD1 3.24Å; H586-D606 IonicContact ND1-OD2 3.03Å; H586-D606 PolarHBondContact ND1-OD2 2.92Å; R587-D606 HydrophobicContact CB-CB 3.97Å; R587-D606 PolarHBondContact N-OD2 2.94Å; R588-D606 HydrophobicContact CB-CB 4.13Å; R588-D606 HydrophobicContact CG-CB 4.38Å; S604-D606 VanDerWaalsContact CB-OD1 3.32Å; S604-D606 WeakPolarHBondContact CB-OD1 3.49Å; S604-D606 PolarHBondContact O-N 2.91Å; S604-D606 PolarHBondContact OG-N 3.08Å; S604-D606 PolarHBondContact OG-OD1 2.84Å; D606-T608 PolarHBondContact O-N 2.8Å; D606-T608 VanDerWaalsContact O-N 3.1Å; D606-T608 WeakPolarHBondContact OD1-CB 3.3Å; D606-T608 PolarHBondContact OD1-N 2.83Å; D606-T608 PolarHBondContact OD1-OG1 2.99Å
607	N	98.1	Very high	97.1	Very high	41 Å²	41	27 Å²	27	22%	0.219	14%	0.139	C	C	.	.	S	Bend	trans	64.4	5.1	178.4	-51.3	2.6	0	0	0	114.2	S604 S605 E627 E628 L629	S604-N607 PolarHBondContact O-N 3.24Å; S605-N607 VanDerWaalsContact C-N 3.27Å; N607-E627 PolarHBondContact ND2-O 3.45Å; N607-E628 PolarHBondContact ND2-N 2.92Å; N607-E628 VanDerWaalsContact OD1-C 3.28Å; N607-E628 PolarHBondContact OD1-O 3.08Å; N607-L629 PolarHBondContact OD1-N 3.38Å
608	T	98.1	Very high	97.2	Very high	15 Å²	15	26 Å²	26	9%	0.092	14%	0.137	C	C	.	.			trans	-96.3	152.9	176.2	74.1	0	0	0	0	112.2	H586 S604 D606 V622 L623 E624	H586-T608 PolarHBondContact CE1-OG1 2.95Å; H586-T608 PolarHBondContact ND1-OG1 2.91Å; S604-T608 PolarHBondContact N-O 2.97Å; D606-T608 PolarHBondContact O-N 2.8Å; D606-T608 VanDerWaalsContact O-N 3.1Å; D606-T608 WeakPolarHBondContact OD1-CB 3.3Å; D606-T608 PolarHBondContact OD1-N 2.83Å; D606-T608 PolarHBondContact OD1-OG1 2.99Å; T608-V622 HydrophobicContact CG2-CG1 3.87Å; T608-L623 WeakPolarHBondContact CA-O 3.39Å; T608-E624 HydrophobicContact CG2-CG 4.21Å
609	I	98.4	Very high	97.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.8	162.3	-64.1	163.4	0	0	0	107.7	V601 S602 V622 L623 V630 I633 S642 W652	V601-I609 HydrophobicContact CG1-CG2 3.74Å; S602-I609 CarbonylContact O-C 3.58Å; S602-I609 VanDerWaalsContact O-CA 3.26Å; S602-I609 WeakPolarHBondContact O-CA 3.47Å; I609-V622 CarbonylContact O-C 3.53Å; I609-V622 WeakPolarHBondContact O-CA 3.29Å; I609-L623 HydrophobicContact CB-CB 4.13Å; I609-L623 HydrophobicContact CB-CD1 4.21Å; I609-L623 HydrophobicContact CB-CG 4.34Å; I609-L623 HydrophobicContact CG2-CD1 3.96Å; I609-L623 HydrophobicContact CG2-CG 4.39Å; I609-L623 PolarHBondContact N-O 2.88Å; I609-L623 PolarHBondContact O-N 3.48Å; I609-V630 HydrophobicContact CD1-CG1 4.22Å; I609-V630 HydrophobicContact CG1-CG1 3.99Å; I609-V630 HydrophobicContact CG1-CG2 4.26Å; I609-I633 HydrophobicContact CB-CD1 4.29Å; I609-I633 HydrophobicContact CD1-CD1 3.77Å; I609-I633 HydrophobicContact CG1-CD1 3.81Å; I609-I633 HydrophobicContact CG2-CD1 3.49Å; I609-I633 VanDerWaalsContact CG2-CD1 3.49Å; I609-S642 WeakPolarHBondContact CD1-OG 3.42Å; I609-W652 HydrophobicContact CD1-CZ2 4Å
610	R	98	Very high	96.9	Very high	33 Å²	33	25.1 Å²	25.1	13%	0.125	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.5	177	-68.2	-177.4	175.4	-113.4	-3.8	111.5	G585 V601 S602 W612 C619 V622	G585-R610 PolarHBondContact O-NH2 3.02Å; G585-R610 VanDerWaalsContact O-NH2 3.07Å; V601-R610 WeakPolarHBondContact CA-O 3.37Å; S602-R610 PolarHBondContact N-O 3.36Å; S602-R610 PolarHBondContact O-N 3.41Å; R610-W612 HydrophobicContact CB-CZ2 3.78Å; R610-W612 VanDerWaalsContact CD-CZ2 3.41Å; R610-W612 HydrophobicContact CG-CZ2 4.24Å; R610-C619 PolarHBondContact NH1-SG 3.43Å; R610-V622 HydrophobicContact CG-CG1 4.26Å; R610-V622 HydrophobicContact CG-CG2 4.25Å
611	I	97.7	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.2	174.9	-52.7	177.5	0	0	0	107.7	L599 V600 V601 C619 F620 R621 I640 L654 A657 L658	L599-I611 HydrophobicContact CD2-CG2 4.2Å; V600-I611 WeakPolarHBondContact O-CA 3.47Å; V601-I611 HydrophobicContact CG1-CG1 4.45Å; V601-I611 HydrophobicContact CG2-CG1 4.38Å; V601-I611 HydrophobicContact CG2-CG2 4.45Å; I611-C619 CarbonylContact O-C 3.51Å; I611-F620 HydrophobicContact CG2-CD2 4.34Å; I611-F620 PolarHBondContact O-N 3.29Å; I611-R621 PolarHBondContact N-O 2.86Å; I611-I640 HydrophobicContact CD1-CD1 3.81Å; I611-I640 HydrophobicContact CG1-CD1 4.36Å; I611-L654 HydrophobicContact CD1-CD1 4.39Å; I611-A657 HydrophobicContact CD1-CB 3.62Å; I611-L658 HydrophobicContact CG2-CD2 4Å
612	W	97.8	Very high	96.6	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.7	-176.7	-39.1	76.9	0	0	0	111.4	I569 L583 T584 V600 S602 R610 V618 C619	I569-W612 HydrophobicContact CD1-CZ2 4.34Å; L583-W612 HydrophobicContact CB-CD2 4.22Å; L583-W612 HydrophobicContact CB-CE3 3.9Å; L583-W612 HydrophobicContact CB-CH2 4.49Å; L583-W612 HydrophobicContact CB-CZ3 4.05Å; L583-W612 HydrophobicContact CD1-CB 3.89Å; L583-W612 HydrophobicContact CD1-CD2 4.14Å; L583-W612 HydrophobicContact CD1-CE3 4.41Å; L583-W612 HydrophobicContact CD1-CG 3.93Å; T584-W612 WeakPolarHBondContact O-CH2 3.45Å; T584-W612 WeakPolarHBondContact O-CZ3 3.32Å; V600-W612 HydrophobicContact CB-CB 4.27Å; V600-W612 PolarHBondContact N-O 3.28Å; V600-W612 PolarHBondContact O-N 3.34Å; S602-W612 PolarHBondContact OG-NE1 2.83Å; R610-W612 HydrophobicContact CB-CZ2 3.78Å; R610-W612 VanDerWaalsContact CD-CZ2 3.41Å; R610-W612 HydrophobicContact CG-CZ2 4.24Å; W612-V618 VanDerWaalsContact CA-O 3.32Å; W612-V618 WeakPolarHBondContact CA-O 3.11Å; W612-C619 HydrophobicContact CD2-CB 4.29Å; W612-C619 HydrophobicContact CE3-CB 3.57Å; W612-C619 HydrophobicContact CH2-CB 4.31Å; W612-C619 HydrophobicContact CZ3-CB 3.59Å
613	D	96.7	Very high	96.5	Very high	2 Å²	2	30 Å²	30	1%	0.011	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.9	162.9	-178.9	7.7	0	0	0	110.3	R598 E615 T616 G617 V618 F620	R598-D613 WeakPolarHBondContact CG-OD1 3.15Å; R598-D613 IonicContact CZ-OD1 3.58Å; R598-D613 IonicContact CZ-OD2 3.43Å; R598-D613 VanDerWaalsContact NE-CG 3.35Å; R598-D613 IonicContact NE-OD1 2.65Å; R598-D613 PolarHBondContact NE-OD1 3.06Å; R598-D613 IonicContact NE-OD2 3.38Å; R598-D613 PolarHBondContact NE-OD2 3.38Å; R598-D613 IonicContact NH2-OD1 2.88Å; R598-D613 IonicContact NH2-OD2 2.71Å; R598-D613 PolarHBondContact NH2-OD2 2.98Å; D613-E615 VanDerWaalsContact C-N 3.34Å; D613-E615 PolarHBondContact OD1-N 3.05Å; D613-T616 WeakPolarHBondContact CB-OG1 3.44Å; D613-T616 VanDerWaalsContact CG-OG1 3.24Å; D613-T616 VanDerWaalsContact OD2-CB 3.32Å; D613-T616 WeakPolarHBondContact OD2-CB 3.3Å; D613-T616 VanDerWaalsContact OD2-CG2 3.23Å; D613-T616 WeakPolarHBondContact OD2-CG2 3.38Å; D613-T616 PolarHBondContact OD2-N 2.79Å; D613-T616 PolarHBondContact OD2-OG1 3.18Å; D613-G617 WeakPolarHBondContact O-CA 3.45Å; D613-G617 PolarHBondContact O-N 3.01Å; D613-V618 PolarHBondContact N-O 2.96Å; D613-F620 HydrophobicContact CB-CD2 4.32Å; D613-F620 HydrophobicContact CB-CE2 3.59Å; D613-F620 HydrophobicContact CB-CZ 3.75Å
614	I	96.8	Very high	96.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-32.5	174.9	-162.6	70.7	0	0	0	112.6	Y559 V561 V571 R581 Y595 R598 V600	Y559-I614 HydrophobicContact CD2-CD1 4.45Å; Y559-I614 HydrophobicContact CD2-CG1 3.54Å; Y559-I614 HydrophobicContact CD2-CG2 4.45Å; Y559-I614 HydrophobicContact CE2-CG1 3.94Å; Y559-I614 HydrophobicContact CE2-CG2 4.42Å; Y559-I614 HydrophobicContact CG-CG1 4.32Å; V561-I614 HydrophobicContact CG2-CD1 3.71Å; V571-I614 HydrophobicContact CB-CD1 4.34Å; V571-I614 HydrophobicContact CG1-CD1 3.8Å; V571-I614 HydrophobicContact CG1-CG1 4.31Å; V571-I614 HydrophobicContact CG2-CD1 3.55Å; R581-I614 PolarHBondContact NE-O 2.77Å; Y595-I614 HydrophobicContact CE2-CB 4.02Å; Y595-I614 HydrophobicContact CE2-CD1 4.24Å; Y595-I614 HydrophobicContact CE2-CG1 3.95Å; Y595-I614 HydrophobicContact CE2-CG2 4.11Å; R598-I614 HydrophobicContact CG-CG2 4.29Å; R598-I614 PolarHBondContact O-N 3.04Å; V600-I614 HydrophobicContact CG2-CB 4.48Å; V600-I614 HydrophobicContact CG2-CD1 3.69Å
615	E	95.6	Very high	96.1	Very high	68 Å²	68	38.9 Å²	38.9	32%	0.318	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-31.7	-171.2	-60.2	-60.6	155.7	0	0	113.5	K558 R581 R598 D613	K558-E615 IonicContact NZ-OE1 3.63Å; K558-E615 PolarHBondContact NZ-OE1 2.81Å; K558-E615 IonicContact NZ-OE2 3.72Å; K558-E615 PolarHBondContact NZ-OE2 3.42Å; R581-E615 PolarHBondContact NH1-O 3.17Å; R581-E615 PolarHBondContact NH2-O 3.47Å; R598-E615 HydrophobicContact CG-CG 4.23Å; D613-E615 VanDerWaalsContact C-N 3.34Å; D613-E615 PolarHBondContact OD1-N 3.05Å
616	T	95.2	Very high	96.1	Very high	74 Å²	74	38 Å²	38	45%	0.454	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-25.2	172.8	62.2	0	0	0	0	112.8	R581 D613 V618	R581-T616 PolarHBondContact NH1-O 2.9Å; R581-T616 VanDerWaalsContact NH1-O 3.17Å; D613-T616 WeakPolarHBondContact CB-OG1 3.44Å; D613-T616 VanDerWaalsContact CG-OG1 3.24Å; D613-T616 VanDerWaalsContact OD2-CB 3.32Å; D613-T616 WeakPolarHBondContact OD2-CB 3.3Å; D613-T616 VanDerWaalsContact OD2-CG2 3.23Å; D613-T616 WeakPolarHBondContact OD2-CG2 3.38Å; D613-T616 PolarHBondContact OD2-N 2.79Å; D613-T616 PolarHBondContact OD2-OG1 3.18Å; T616-V618 VanDerWaalsContact C-N 3.26Å; T616-V618 WeakPolarHBondContact OG1-CG2 3.39Å; T616-V618 PolarHBondContact OG1-N 3.4Å
617	G	94.3	Very high	96	Very high	18 Å²	18	42.5 Å²	42.5	19%	0.186	23%	0.23	C	C	.	.			trans	78.6	5.6	-171.7	0	0	0	0	0	114.4	L583 D613	L583-G617 VanDerWaalsContact CD2-CA 3.48Å; D613-G617 WeakPolarHBondContact O-CA 3.45Å; D613-G617 PolarHBondContact O-N 3.01Å
618	V	95.4	Very high	96	Very high	80 Å²	80	44.8 Å²	44.8	49%	0.485	24%	0.239	S	C	.	.			trans	-72.2	132.7	-178.2	173.9	0	0	0	0	110.9	W612 D613 T616 F620	W612-V618 VanDerWaalsContact CA-O 3.32Å; W612-V618 WeakPolarHBondContact CA-O 3.11Å; D613-V618 PolarHBondContact N-O 2.96Å; T616-V618 VanDerWaalsContact C-N 3.26Å; T616-V618 WeakPolarHBondContact OG1-CG2 3.39Å; T616-V618 PolarHBondContact OG1-N 3.4Å; V618-F620 PolarHBondContact O-N 2.96Å
619	C	94.8	Very high	96	Very high	42 Å²	42	45.4 Å²	45.4	28%	0.284	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	95.1	168.1	-172	0	0	0	0	109.2	R610 I611 W612 R621	R610-C619 PolarHBondContact NH1-SG 3.43Å; I611-C619 CarbonylContact O-C 3.51Å; W612-C619 HydrophobicContact CD2-CB 4.29Å; W612-C619 HydrophobicContact CE3-CB 3.57Å; W612-C619 HydrophobicContact CH2-CB 4.31Å; W612-C619 HydrophobicContact CZ3-CB 3.59Å; C619-R621 VanDerWaalsContact C-N 3.34Å; C619-R621 PolarHBondContact O-N 3.34Å
620	F	90.9	Very high	96	Very high	99 Å²	99	45.4 Å²	45.4	43%	0.434	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-43.5	179.8	-76.1	-56.2	0	0	0	112.7	L599 I611 D613 V618 L658	L599-F620 HydrophobicContact CD2-CD2 4.26Å; L599-F620 HydrophobicContact CD2-CE2 3.95Å; I611-F620 HydrophobicContact CG2-CD2 4.34Å; I611-F620 PolarHBondContact O-N 3.29Å; D613-F620 HydrophobicContact CB-CD2 4.32Å; D613-F620 HydrophobicContact CB-CE2 3.59Å; D613-F620 HydrophobicContact CB-CZ 3.75Å; V618-F620 PolarHBondContact O-N 2.96Å; F620-L658 HydrophobicContact CD2-CD2 4.47Å
621	R	93.7	Very high	96	Very high	54 Å²	54	46.2 Å²	46.2	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	151.4	-173.3	-154.6	67.6	172.3	-150.6	-13.8	111.6	I611 C619 L623 P660 S662	I611-R621 PolarHBondContact N-O 2.86Å; C619-R621 VanDerWaalsContact C-N 3.34Å; C619-R621 PolarHBondContact O-N 3.34Å; R621-L623 HydrophobicContact CG-CD2 4.18Å; R621-P660 PolarHBondContact NH1-O 2.89Å; R621-S662 PolarHBondContact NH2-O 2.88Å; R621-S662 PolarHBondContact NH2-OG 2.99Å
622	V	96.3	Very high	96	Very high	46 Å²	46	46.4 Å²	46.4	28%	0.279	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.9	165.3	-169.9	0	0	0	0	107.3	T608 I609 R610 E624	T608-V622 HydrophobicContact CG2-CG1 3.87Å; I609-V622 CarbonylContact O-C 3.53Å; I609-V622 WeakPolarHBondContact O-CA 3.29Å; R610-V622 HydrophobicContact CG-CG1 4.26Å; R610-V622 HydrophobicContact CG-CG2 4.25Å; V622-E624 HydrophobicContact CG1-CG 4.18Å
623	L	96.6	Very high	96.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.1	171	-39.1	176.5	0	0	0	108.1	T608 I609 R621 I640 W652 A657 L667	T608-L623 WeakPolarHBondContact CA-O 3.39Å; I609-L623 HydrophobicContact CB-CB 4.13Å; I609-L623 HydrophobicContact CB-CD1 4.21Å; I609-L623 HydrophobicContact CB-CG 4.34Å; I609-L623 HydrophobicContact CG2-CD1 3.96Å; I609-L623 HydrophobicContact CG2-CG 4.39Å; I609-L623 PolarHBondContact N-O 2.88Å; I609-L623 PolarHBondContact O-N 3.48Å; R621-L623 HydrophobicContact CG-CD2 4.18Å; L623-I640 HydrophobicContact CD1-CD1 3.98Å; L623-W652 HydrophobicContact CB-CE3 4.08Å; L623-W652 HydrophobicContact CB-CH2 4.23Å; L623-W652 HydrophobicContact CB-CZ3 3.91Å; L623-W652 HydrophobicContact CD1-CB 4.36Å; L623-W652 HydrophobicContact CD1-CD2 4Å; L623-W652 HydrophobicContact CD1-CE3 4.11Å; L623-W652 HydrophobicContact CD1-CG 4.12Å; L623-A657 HydrophobicContact CD2-CB 3.99Å; L623-L667 HydrophobicContact CD2-CD1 3.85Å
624	E	95.1	Very high	96.2	Very high	144 Å²	144	49.6 Å²	49.6	67%	0.673	26%	0.259	S	S	*	.			trans	-125.3	154.6	-176.6	-60.3	-178.2	156.8	0	0	109	T608 V622 W652	T608-E624 HydrophobicContact CG2-CG 4.21Å; V622-E624 HydrophobicContact CG1-CG 4.18Å; E624-W652 WeakPolarHBondContact O-CH2 3.23Å
625	G	93.3	Very high	96.2	Very high	43 Å²	43	50 Å²	50	44%	0.443	26%	0.26	S	S	.	.			trans	122.8	5	178.2	0	0	0	0	0	115.9	K650	G625-K650 WeakPolarHBondContact O-CE 3.46Å; G625-K650 PolarHBondContact O-NZ 2.88Å
626	H	97	Very high	96.2	Very high	11 Å²	11	48 Å²	48	5%	0.051	25%	0.252	C	S	.	.			trans	-79.7	140.9	153.3	-81.5	-62.3	0	0	0	109.2	V630 S642 A644 K650 W652	H626-V630 HydrophobicContact CB-CG2 4.06Å; H626-S642 PolarHBondContact NE2-OG 3.22Å; H626-A644 HydrophobicContact CB-CB 4.5Å; H626-K650 WeakPolarHBondContact ND1-CD 3.25Å; H626-K650 WeakPolarHBondContact ND1-CE 3.12Å; H626-W652 AromaticContact CD2-CZ2 3.94Å
627	E	96.7	Very high	96.1	Very high	117 Å²	117	48.2 Å²	48.2	55%	0.547	26%	0.256	S	S	.	.	S	Bend	trans	-89.7	-15.7	-179.5	-69	148.8	-124.4	0	0	111.9	N607 K648	N607-E627 PolarHBondContact ND2-O 3.45Å; E627-K648 IonicContact OE1-NZ 2.75Å; E627-K648 PolarHBondContact OE1-NZ 2.96Å; E627-K648 IonicContact OE2-NZ 2.96Å; E627-K648 PolarHBondContact OE2-NZ 2.88Å
628	E	98	Very high	96	Very high	90 Å²	90	49.7 Å²	49.7	42%	0.421	26%	0.258	S	S	.	.	S	Bend	trans	-137.5	174.3	-173.4	-95.6	-62.3	164.2	0	0	112.9	N607 V630 D646	N607-E628 PolarHBondContact ND2-N 2.92Å; N607-E628 VanDerWaalsContact OD1-C 3.28Å; N607-E628 PolarHBondContact OD1-O 3.08Å; E628-V630 PolarHBondContact O-N 2.94Å; E628-D646 HydrophobicContact CB-CB 3.99Å; E628-D646 HydrophobicContact CG-CB 4.19Å
629	L	97.8	Very high	96.1	Very high	27 Å²	27	46 Å²	46	14%	0.141	24%	0.235	C	C	.	.			trans	-51.5	123.9	-179.9	-179.7	159.2	0	0	0	112	A591 S605 N607 R631 A644 Y645	A591-L629 HydrophobicContact CB-CD2 3.86Å; S605-L629 VanDerWaalsContact OG-CD1 3.28Å; S605-L629 WeakPolarHBondContact OG-CD1 3.39Å; N607-L629 PolarHBondContact OD1-N 3.38Å; L629-R631 HydrophobicContact CD2-CB 3.83Å; L629-R631 PolarHBondContact O-N 3.06Å; L629-R631 VanDerWaalsContact O-N 3.15Å; L629-A644 CarbonylContact O-C 3.57Å; L629-A644 VanDerWaalsContact O-CA 3.24Å; L629-A644 WeakPolarHBondContact O-CA 3.26Å; L629-A644 WeakPolarHBondContact O-CB 3.47Å; L629-Y645 HydrophobicContact CB-CD2 3.88Å; L629-Y645 HydrophobicContact CB-CE2 4.39Å; L629-Y645 HydrophobicContact CB-CG 4.09Å; L629-Y645 HydrophobicContact CD1-CD2 4.22Å; L629-Y645 HydrophobicContact CD1-CE2 3.88Å; L629-Y645 HydrophobicContact CD2-CD1 4.1Å; L629-Y645 HydrophobicContact CD2-CD2 4.24Å; L629-Y645 HydrophobicContact CD2-CE1 4.01Å; L629-Y645 HydrophobicContact CD2-CE2 4.11Å; L629-Y645 HydrophobicContact CD2-CG 4.24Å; L629-Y645 HydrophobicContact CG-CD2 4.35Å; L629-Y645 HydrophobicContact CG-CE2 4.37Å; L629-Y645 PolarHBondContact O-N 3.24Å
630	V	98.6	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	99.1	178.2	-170.3	0	0	0	0	109.6	C592 S604 I609 H626 E628	C592-V630 PolarHBondContact SG-O 2.89Å; S604-V630 PolarHBondContact O-N 2.86Å; I609-V630 HydrophobicContact CD1-CG1 4.22Å; I609-V630 HydrophobicContact CG1-CG1 3.99Å; I609-V630 HydrophobicContact CG1-CG2 4.26Å; H626-V630 HydrophobicContact CB-CG2 4.06Å; E628-V630 PolarHBondContact O-N 2.94Å
631	R	98.4	Very high	96.6	Very high	50 Å²	50	39.3 Å²	39.3	19%	0.189	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-31.8	-166.8	173.9	61.2	-169.8	105.2	-8.6	113.8	A591 C592 L629 G643 Y645 V679 F680	A591-R631 PolarHBondContact O-NH1 2.71Å; C592-R631 WeakPolarHBondContact CB-O 3.27Å; L629-R631 HydrophobicContact CD2-CB 3.83Å; L629-R631 PolarHBondContact O-N 3.06Å; L629-R631 VanDerWaalsContact O-N 3.15Å; R631-G643 PolarHBondContact N-O 3.07Å; R631-Y645 HydrophobicContact CB-CD1 3.76Å; R631-Y645 HydrophobicContact CB-CE1 3.72Å; R631-Y645 HydrophobicContact CG-CD1 4.15Å; R631-Y645 HydrophobicContact CG-CE1 3.66Å; R631-V679 WeakPolarHBondContact CB-O 3.37Å; R631-V679 WeakPolarHBondContact CG-O 3.4Å; R631-F680 HydrophobicContact CG-CD1 4.18Å
632	C	98.1	Very high	96.8	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.034	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.9	176.7	58.3	0	0	0	0	111.9	C592 S642 G643 F680	C592-C632 VanDerWaalsContact SG-C 3.56Å; C632-S642 CarbonylContact O-C 3.56Å; C632-S642 VanDerWaalsContact O-CA 3.3Å; C632-S642 WeakPolarHBondContact O-CA 3.46Å; C632-G643 PolarHBondContact N-O 3.38Å; C632-G643 VanDerWaalsContact N-O 3.12Å; C632-G643 PolarHBondContact O-N 3.27Å; C632-F680 WeakPolarHBondContact CB-O 3.22Å
633	I	98.4	Very high	96.9	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	144	-178.8	-164	154.7	0	0	0	110.5	C592 V601 I609 I640 V641	C592-I633 HydrophobicContact CB-CG2 3.95Å; C592-I633 VanDerWaalsContact SG-CG2 3.55Å; V601-I633 HydrophobicContact CG1-CD1 3.64Å; V601-I633 HydrophobicContact CG1-CG1 4.3Å; I609-I633 HydrophobicContact CB-CD1 4.29Å; I609-I633 HydrophobicContact CD1-CD1 3.77Å; I609-I633 HydrophobicContact CG1-CD1 3.81Å; I609-I633 HydrophobicContact CG2-CD1 3.49Å; I609-I633 VanDerWaalsContact CG2-CD1 3.49Å; I633-I640 HydrophobicContact CD1-CG2 3.81Å; I633-I640 HydrophobicContact CG1-CG2 3.77Å; I633-V641 CarbonylContact C-O 3.47Å; I633-V641 WeakPolarHBondContact CA-O 3.4Å
634	R	98.4	Very high	97	Very high	64 Å²	64	34.5 Å²	34.5	24%	0.242	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.2	166.6	-62.2	-60.9	-72.6	167.5	1.3	110.1	D554 Q594 V641 L682 F684	D554-R634 IonicContact OD2-NH1 3.43Å; Q594-R634 VanDerWaalsContact CD-CZ 3.49Å; Q594-R634 VanDerWaalsContact OE1-NE 3.11Å; R634-V641 PolarHBondContact N-O 3.04Å; R634-V641 PolarHBondContact O-N 3.43Å; R634-L682 HydrophobicContact CB-CD1 4.03Å; R634-L682 HydrophobicContact CG-CD1 3.92Å; R634-L682 WeakPolarHBondContact CG-O 3.5Å; R634-F684 HydrophobicContact CB-CD1 3.92Å; R634-F684 HydrophobicContact CB-CE1 3.75Å
635	F	97.8	Very high	97.1	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	153	172.1	74.8	-83.8	0	0	0	113.1	Q594 R596 L599 V601 R639 I640 L654	Q594-F635 HydrophobicContact CB-CD1 3.89Å; Q594-F635 HydrophobicContact CB-CE1 3.8Å; Q594-F635 HydrophobicContact CG-CD1 3.85Å; Q594-F635 HydrophobicContact CG-CE1 3.58Å; Q594-F635 PolarHBondContact NE2-O 3.3Å; R596-F635 HydrophobicContact CB-CE1 4.35Å; R596-F635 HydrophobicContact CB-CE2 4.05Å; R596-F635 HydrophobicContact CB-CZ 3.6Å; L599-F635 HydrophobicContact CB-CE2 4.17Å; L599-F635 HydrophobicContact CB-CZ 4Å; L599-F635 HydrophobicContact CD1-CE2 4.41Å; V601-F635 HydrophobicContact CB-CD1 3.86Å; V601-F635 HydrophobicContact CB-CE1 3.99Å; V601-F635 HydrophobicContact CG2-CD1 3.56Å; V601-F635 HydrophobicContact CG2-CD2 4.47Å; V601-F635 HydrophobicContact CG2-CE1 3.57Å; V601-F635 HydrophobicContact CG2-CE2 4.49Å; V601-F635 HydrophobicContact CG2-CG 4.04Å; V601-F635 HydrophobicContact CG2-CZ 4.06Å; F635-R639 WeakPolarHBondContact CA-O 3.49Å; F635-I640 HydrophobicContact CB-CB 4.32Å; F635-I640 HydrophobicContact CB-CG1 3.89Å; F635-I640 HydrophobicContact CB-CG2 4.43Å; F635-L654 HydrophobicContact CD2-CD2 4.13Å
636	D	95.4	Very high	97.3	Very high	27 Å²	27	31 Å²	31	14%	0.144	15%	0.149	C	C	.	.			trans	-115.9	-139.7	177.2	67.7	2.7	0	0	0	110.4	R596 K638 R639 L654 F684	R596-D636 PolarHBondContact NH2-O 3.26Å; D636-K638 WeakPolarHBondContact OD1-CA 3.32Å; D636-K638 PolarHBondContact OD1-N 3.03Å; D636-R639 PolarHBondContact N-O 2.9Å; D636-R639 PolarHBondContact OD1-N 3.36Å; D636-R639 VanDerWaalsContact OD1-O 3.06Å; D636-L654 WeakPolarHBondContact O-CD2 3.31Å; D636-F684 HydrophobicContact CB-CE2 4.09Å; D636-F684 HydrophobicContact CB-CZ 3.98Å; D636-F684 WeakPolarHBondContact OD2-CE2 3.26Å
637	S	93	Very high	97.2	Very high	78 Å²	78	30.6 Å²	30.6	55%	0.545	15%	0.147	S	C	.	.	S	Bend	trans	-98	-4.2	174.1	61.8	0	0	0	0	114.5
638	K	93.6	Very high	97.3	Very high	49 Å²	49	26.3 Å²	26.3	21%	0.213	13%	0.126	C	C	.	.	S	Bend	trans	-123.2	-44.5	-171.1	-63.5	175.5	178.6	-177.6	0	112.6	E345 D636 L654 D686	E345-K638 IonicContact OE2-NZ 3.2Å; E345-K638 PolarHBondContact OE2-NZ 3.28Å; D636-K638 WeakPolarHBondContact OD1-CA 3.32Å; D636-K638 PolarHBondContact OD1-N 3.03Å; K638-L654 WeakPolarHBondContact O-CB 3.36Å; K638-L654 PolarHBondContact O-N 3.36Å; K638-D686 VanDerWaalsContact CE-OD1 3.28Å; K638-D686 WeakPolarHBondContact CE-OD1 3.42Å; K638-D686 IonicContact NZ-OD1 2.65Å; K638-D686 PolarHBondContact NZ-OD1 2.93Å
639	R	96.1	Very high	97.3	Very high	3 Å²	3	22 Å²	22	1%	0.011	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.9	-163.1	-47.4	-177.7	-153.7	111.6	-0.4	111.7	E345 W348 F635 D636 V651 W652	E345-R639 IonicContact OE1-CZ 3.54Å; E345-R639 IonicContact OE1-NE 2.79Å; E345-R639 PolarHBondContact OE1-NE 3.39Å; E345-R639 VanDerWaalsContact OE1-NE 3.09Å; E345-R639 IonicContact OE1-NH2 2.8Å; E345-R639 PolarHBondContact OE1-NH2 2.96Å; E345-R639 IonicContact OE2-NH2 3.47Å; E345-R639 PolarHBondContact OE2-NH2 2.95Å; W348-R639 VanDerWaalsContact CD2-CZ 3.5Å; W348-R639 VanDerWaalsContact CZ2-NH1 3.34Å; F635-R639 WeakPolarHBondContact CA-O 3.49Å; D636-R639 PolarHBondContact N-O 2.9Å; D636-R639 PolarHBondContact OD1-N 3.36Å; D636-R639 VanDerWaalsContact OD1-O 3.06Å; R639-V651 HydrophobicContact CB-CG1 4.27Å; R639-W652 CarbonylContact C-O 3.58Å; R639-W652 WeakPolarHBondContact CA-O 3.35Å
640	I	98	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.3	163.1	-55.2	167.4	0	0	0	106.5	V601 I611 L623 I633 F635 V651 W652 L654	V601-I640 HydrophobicContact CG1-CD1 4.26Å; V601-I640 HydrophobicContact CG1-CG2 4.28Å; I611-I640 HydrophobicContact CD1-CD1 3.81Å; I611-I640 HydrophobicContact CG1-CD1 4.36Å; L623-I640 HydrophobicContact CD1-CD1 3.98Å; I633-I640 HydrophobicContact CD1-CG2 3.81Å; I633-I640 HydrophobicContact CG1-CG2 3.77Å; F635-I640 HydrophobicContact CB-CB 4.32Å; F635-I640 HydrophobicContact CB-CG1 3.89Å; F635-I640 HydrophobicContact CB-CG2 4.43Å; I640-V651 CarbonylContact O-C 3.53Å; I640-V651 WeakPolarHBondContact O-CA 3.33Å; I640-W652 HydrophobicContact CB-CB 4.18Å; I640-W652 PolarHBondContact N-O 3.43Å; I640-W652 PolarHBondContact O-N 2.9Å; I640-L654 HydrophobicContact CD1-CD1 3.93Å; I640-L654 HydrophobicContact CG1-CB 4.41Å; I640-L654 HydrophobicContact CG1-CD1 4Å
641	V	98.4	Very high	97.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.1	174.4	-174.8	0	0	0	0	108.5	W348 I633 R634 I649 V651 L682 F684 I689	W348-V641 HydrophobicContact CZ3-CG2 4.34Å; I633-V641 CarbonylContact C-O 3.47Å; I633-V641 WeakPolarHBondContact CA-O 3.4Å; R634-V641 PolarHBondContact N-O 3.04Å; R634-V641 PolarHBondContact O-N 3.43Å; V641-I649 HydrophobicContact CG1-CG2 3.61Å; V641-V651 HydrophobicContact CG2-CG1 4.39Å; V641-V651 HydrophobicContact CG2-CG2 4.39Å; V641-L682 HydrophobicContact CB-CD1 3.97Å; V641-L682 HydrophobicContact CG1-CD1 3.8Å; V641-L682 HydrophobicContact CG1-CD2 3.88Å; V641-F684 HydrophobicContact CB-CD1 3.74Å; V641-F684 HydrophobicContact CB-CE1 3.8Å; V641-F684 HydrophobicContact CB-CG 4.37Å; V641-F684 HydrophobicContact CB-CZ 4.47Å; V641-F684 HydrophobicContact CG2-CD1 3.6Å; V641-F684 HydrophobicContact CG2-CD2 4.02Å; V641-F684 HydrophobicContact CG2-CE1 3.57Å; V641-F684 HydrophobicContact CG2-CE2 3.99Å; V641-F684 HydrophobicContact CG2-CG 3.83Å; V641-F684 HydrophobicContact CG2-CZ 3.78Å; V641-I689 HydrophobicContact CG1-CD1 3.88Å; V641-I689 HydrophobicContact CG1-CG1 4.3Å; V641-I689 HydrophobicContact CG1-CG2 4.46Å; V641-I689 HydrophobicContact CG2-CD1 4.49Å
642	S	98.4	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.6	-171	57	0	0	0	0	112.1	I609 H626 C632 I649 K650 W652	I609-S642 WeakPolarHBondContact CD1-OG 3.42Å; H626-S642 PolarHBondContact NE2-OG 3.22Å; C632-S642 CarbonylContact O-C 3.56Å; C632-S642 VanDerWaalsContact O-CA 3.3Å; C632-S642 WeakPolarHBondContact O-CA 3.46Å; S642-I649 CarbonylContact O-C 3.48Å; S642-I649 VanDerWaalsContact O-CA 3.27Å; S642-I649 WeakPolarHBondContact O-CA 3.33Å; S642-K650 PolarHBondContact N-O 3.03Å; S642-K650 PolarHBondContact O-N 3.13Å; S642-K650 PolarHBondContact OG-O 2.88Å; S642-W652 PolarHBondContact OG-NE1 3.45Å
643	G	98.3	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.6	178.5	0	0	0	0	0	111.8	R631 C632	R631-G643 PolarHBondContact N-O 3.07Å; C632-G643 PolarHBondContact N-O 3.38Å; C632-G643 VanDerWaalsContact N-O 3.12Å; C632-G643 PolarHBondContact O-N 3.27Å
644	A	98.4	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	176	-176.9	0	0	0	0	0	113.2	H626 L629 D646 G647 K648 V679	H626-A644 HydrophobicContact CB-CB 4.5Å; L629-A644 CarbonylContact O-C 3.57Å; L629-A644 VanDerWaalsContact O-CA 3.24Å; L629-A644 WeakPolarHBondContact O-CA 3.26Å; L629-A644 WeakPolarHBondContact O-CB 3.47Å; A644-D646 VanDerWaalsContact C-N 3.25Å; A644-D646 WeakPolarHBondContact CB-OD1 3.41Å; A644-D646 PolarHBondContact O-N 2.59Å; A644-G647 PolarHBondContact O-N 3.24Å; A644-K648 PolarHBondContact N-O 2.94Å; A644-K648 VanDerWaalsContact N-O 3.09Å; A644-V679 PolarHBondContact O-N 3.12Å; A644-V679 VanDerWaalsContact O-N 3.14Å
645	Y	97.9	Very high	96.7	Very high	76 Å²	76	25.9 Å²	25.9	30%	0.298	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.4	-179.7	-90	9.4	0	0	0	114.8	L629 R631 G647 R678 F680	L629-Y645 HydrophobicContact CB-CD2 3.88Å; L629-Y645 HydrophobicContact CB-CE2 4.39Å; L629-Y645 HydrophobicContact CB-CG 4.09Å; L629-Y645 HydrophobicContact CD1-CD2 4.22Å; L629-Y645 HydrophobicContact CD1-CE2 3.88Å; L629-Y645 HydrophobicContact CD2-CD1 4.1Å; L629-Y645 HydrophobicContact CD2-CD2 4.24Å; L629-Y645 HydrophobicContact CD2-CE1 4.01Å; L629-Y645 HydrophobicContact CD2-CE2 4.11Å; L629-Y645 HydrophobicContact CD2-CG 4.24Å; L629-Y645 HydrophobicContact CG-CD2 4.35Å; L629-Y645 HydrophobicContact CG-CE2 4.37Å; L629-Y645 PolarHBondContact O-N 3.24Å; R631-Y645 HydrophobicContact CB-CD1 3.76Å; R631-Y645 HydrophobicContact CB-CE1 3.72Å; R631-Y645 HydrophobicContact CG-CD1 4.15Å; R631-Y645 HydrophobicContact CG-CE1 3.66Å; Y645-G647 VanDerWaalsContact C-N 3.29Å; Y645-G647 PolarHBondContact O-N 2.88Å; Y645-R678 HydrophobicContact CD1-CB 3.62Å; Y645-R678 HydrophobicContact CD1-CG 3.64Å; Y645-R678 HydrophobicContact CD2-CG 4.34Å; Y645-R678 HydrophobicContact CE1-CB 4.04Å; Y645-R678 HydrophobicContact CE1-CG 4.18Å; Y645-R678 HydrophobicContact CG-CB 4.21Å; Y645-R678 HydrophobicContact CG-CG 3.71Å; Y645-R678 WeakPolarHBondContact O-CG 3.49Å; Y645-F680 HydrophobicContact CE1-CE1 4.34Å
646	D	96.1	Very high	96.5	Very high	39 Å²	39	26.2 Å²	26.2	21%	0.209	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0	173.4	58.7	8.5	0	0	0	114.2	E628 A644 K648	E628-D646 HydrophobicContact CB-CB 3.99Å; E628-D646 HydrophobicContact CG-CB 4.19Å; A644-D646 VanDerWaalsContact C-N 3.25Å; A644-D646 WeakPolarHBondContact CB-OD1 3.41Å; A644-D646 PolarHBondContact O-N 2.59Å; D646-K648 VanDerWaalsContact C-N 3.27Å; D646-K648 HydrophobicContact CB-CG 4.49Å; D646-K648 PolarHBondContact O-N 2.8Å; D646-K648 VanDerWaalsContact OD1-CB 3.29Å; D646-K648 WeakPolarHBondContact OD1-CB 3.47Å; D646-K648 PolarHBondContact OD1-N 3.05Å; D646-K648 WeakPolarHBondContact OD2-CD 3.34Å
647	G	96.3	Very high	96.5	Very high	1 Å²	1	25 Å²	25	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	80.8	0.1	-175.9	0	0	0	0	0	114.6	A644 Y645 G677	A644-G647 PolarHBondContact O-N 3.24Å; Y645-G647 VanDerWaalsContact C-N 3.29Å; Y645-G647 PolarHBondContact O-N 2.88Å; G647-G677 VanDerWaalsContact CA-O 3.24Å; G647-G677 WeakPolarHBondContact CA-O 3.35Å
648	K	97.8	Very high	96.5	Very high	28 Å²	28	24.6 Å²	24.6	12%	0.122	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141.1	179.1	-59.3	175.6	-173.9	158.5	0	110.7	E627 A644 D646 T671 Q673	E627-K648 IonicContact OE1-NZ 2.75Å; E627-K648 PolarHBondContact OE1-NZ 2.96Å; E627-K648 IonicContact OE2-NZ 2.96Å; E627-K648 PolarHBondContact OE2-NZ 2.88Å; A644-K648 PolarHBondContact N-O 2.94Å; A644-K648 VanDerWaalsContact N-O 3.09Å; D646-K648 VanDerWaalsContact C-N 3.27Å; D646-K648 HydrophobicContact CB-CG 4.49Å; D646-K648 PolarHBondContact O-N 2.8Å; D646-K648 VanDerWaalsContact OD1-CB 3.29Å; D646-K648 WeakPolarHBondContact OD1-CB 3.47Å; D646-K648 PolarHBondContact OD1-N 3.05Å; D646-K648 WeakPolarHBondContact OD2-CD 3.34Å; K648-T671 HydrophobicContact CB-CG2 4Å; K648-T671 HydrophobicContact CD-CG2 4.05Å; K648-T671 HydrophobicContact CG-CG2 4.22Å; K648-Q673 VanDerWaalsContact CE-OE1 3.26Å; K648-Q673 HydrophobicContact CG-CB 4.4Å; K648-Q673 HydrophobicContact CG-CG 4.16Å
649	I	98.1	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.1	169.2	-61.8	176.9	0	0	0	107.8	V641 S642 L672 V679 L682 S691 W701	V641-I649 HydrophobicContact CG1-CG2 3.61Å; S642-I649 CarbonylContact O-C 3.48Å; S642-I649 VanDerWaalsContact O-CA 3.27Å; S642-I649 WeakPolarHBondContact O-CA 3.33Å; I649-L672 HydrophobicContact CB-CB 4.23Å; I649-L672 HydrophobicContact CG2-CD1 4.48Å; I649-L672 PolarHBondContact N-O 2.76Å; I649-L672 PolarHBondContact O-N 3.02Å; I649-V679 HydrophobicContact CD1-CG1 4.18Å; I649-V679 HydrophobicContact CG1-CG1 4.25Å; I649-V679 HydrophobicContact CG1-CG2 4.08Å; I649-L682 HydrophobicContact CG2-CD2 4.25Å; I649-S691 WeakPolarHBondContact CD1-OG 3.36Å; I649-W701 HydrophobicContact CD1-CZ2 3.99Å
650	K	97.9	Very high	96.2	Very high	15 Å²	15	30.4 Å²	30.4	7%	0.065	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.6	177.5	-66.5	-179.3	-168.6	-97.3	0	110.8	G625 H626 S642 W652 T671	G625-K650 WeakPolarHBondContact O-CE 3.46Å; G625-K650 PolarHBondContact O-NZ 2.88Å; H626-K650 WeakPolarHBondContact ND1-CD 3.25Å; H626-K650 WeakPolarHBondContact ND1-CE 3.12Å; S642-K650 PolarHBondContact N-O 3.03Å; S642-K650 PolarHBondContact O-N 3.13Å; S642-K650 PolarHBondContact OG-O 2.88Å; K650-W652 HydrophobicContact CB-CZ2 3.87Å; K650-W652 HydrophobicContact CD-CH2 4.24Å; K650-W652 HydrophobicContact CD-CZ2 3.81Å; K650-W652 HydrophobicContact CG-CZ2 4.47Å; K650-W652 PolarHBondContact O-NE1 2.9Å; K650-T671 HydrophobicContact CG-CG2 4.02Å; K650-T671 PolarHBondContact NZ-OG1 2.84Å
651	V	97.6	Very high	95.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.1	173.4	-172.9	0	0	0	0	107.9	W348 R639 I640 V641 I669 H670 L672 I689	W348-V651 HydrophobicContact CE3-CG1 4.15Å; W348-V651 HydrophobicContact CZ3-CG1 4.1Å; W348-V651 HydrophobicContact CZ3-CG2 4.21Å; R639-V651 HydrophobicContact CB-CG1 4.27Å; I640-V651 CarbonylContact O-C 3.53Å; I640-V651 WeakPolarHBondContact O-CA 3.33Å; V641-V651 HydrophobicContact CG2-CG1 4.39Å; V641-V651 HydrophobicContact CG2-CG2 4.39Å; V651-I669 HydrophobicContact CG1-CD1 4.23Å; V651-I669 PolarHBondContact O-N 3.03Å; V651-H670 PolarHBondContact N-O 3.41Å; V651-H670 PolarHBondContact O-N 2.77Å; V651-L672 HydrophobicContact CG2-CD1 4.01Å; V651-I689 HydrophobicContact CG2-CD1 4.35Å
652	W	97.3	Very high	95.6	Very high	6 Å²	6	42 Å²	42	2%	0.023	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.4	-177	-42.7	77.7	0	0	0	111.1	I609 L623 E624 H626 R639 I640 S642 K650 L654 L667 C668	I609-W652 HydrophobicContact CD1-CZ2 4Å; L623-W652 HydrophobicContact CB-CE3 4.08Å; L623-W652 HydrophobicContact CB-CH2 4.23Å; L623-W652 HydrophobicContact CB-CZ3 3.91Å; L623-W652 HydrophobicContact CD1-CB 4.36Å; L623-W652 HydrophobicContact CD1-CD2 4Å; L623-W652 HydrophobicContact CD1-CE3 4.11Å; L623-W652 HydrophobicContact CD1-CG 4.12Å; E624-W652 WeakPolarHBondContact O-CH2 3.23Å; H626-W652 AromaticContact CD2-CZ2 3.94Å; R639-W652 CarbonylContact C-O 3.58Å; R639-W652 WeakPolarHBondContact CA-O 3.35Å; I640-W652 HydrophobicContact CB-CB 4.18Å; I640-W652 PolarHBondContact N-O 3.43Å; I640-W652 PolarHBondContact O-N 2.9Å; S642-W652 PolarHBondContact OG-NE1 3.45Å; K650-W652 HydrophobicContact CB-CZ2 3.87Å; K650-W652 HydrophobicContact CD-CH2 4.24Å; K650-W652 HydrophobicContact CD-CZ2 3.81Å; K650-W652 HydrophobicContact CG-CZ2 4.47Å; K650-W652 PolarHBondContact O-NE1 2.9Å; W652-L654 PolarHBondContact O-N 2.85Å; W652-L667 CarbonylContact C-O 3.54Å; W652-L667 WeakPolarHBondContact CA-O 3.46Å; W652-L667 WeakPolarHBondContact CB-O 3.4Å; W652-L667 HydrophobicContact CE3-CB 4.25Å; W652-C668 HydrophobicContact CD2-CB 4.43Å; W652-C668 HydrophobicContact CE3-CB 3.76Å; W652-C668 HydrophobicContact CZ3-CB 3.82Å
653	N	95.8	Very high	95.3	Very high	54 Å²	54	48.4 Å²	48.4	29%	0.289	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.5	177.3	-175.8	-35.9	0	0	0	110.4	K655 A656 A657 L667 I669	N653-K655 PolarHBondContact OD1-N 2.77Å; N653-K655 VanDerWaalsContact OD1-N 3.08Å; N653-A656 HydrophobicContact CB-CB 3.84Å; N653-A656 PolarHBondContact O-N 3.2Å; N653-A656 PolarHBondContact OD1-N 3.17Å; N653-A657 WeakPolarHBondContact O-CB 3.32Å; N653-A657 PolarHBondContact O-N 2.83Å; N653-L667 PolarHBondContact N-O 3.36Å; N653-I669 HydrophobicContact CB-CD1 3.93Å; N653-I669 HydrophobicContact CB-CG1 3.96Å
654	L	95.2	Very high	94.8	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-40.2	-177.1	-179.4	62.1	0	0	0	111.8	I611 F635 D636 K638 I640 W652 A656 A657 L658	I611-L654 HydrophobicContact CD1-CD1 4.39Å; F635-L654 HydrophobicContact CD2-CD2 4.13Å; D636-L654 WeakPolarHBondContact O-CD2 3.31Å; K638-L654 WeakPolarHBondContact O-CB 3.36Å; K638-L654 PolarHBondContact O-N 3.36Å; I640-L654 HydrophobicContact CD1-CD1 3.93Å; I640-L654 HydrophobicContact CG1-CB 4.41Å; I640-L654 HydrophobicContact CG1-CD1 4Å; W652-L654 PolarHBondContact O-N 2.85Å; L654-A656 VanDerWaalsContact C-N 3.32Å; L654-A656 PolarHBondContact O-N 3.35Å; L654-A657 PolarHBondContact O-N 2.66Å; L654-L658 HydrophobicContact CD1-CD1 4.03Å; L654-L658 HydrophobicContact CD1-CG 4.11Å; L654-L658 HydrophobicContact CG-CD1 3.94Å; L654-L658 HydrophobicContact CG-CG 4.43Å; L654-L658 WeakPolarHBondContact O-CG 3.23Å; L654-L658 PolarHBondContact O-N 3.18Å
655	K	93.6	Very high	94.2	Very high	149 Å²	149	59.6 Å²	59.6	65%	0.648	29%	0.294	S	S	*	.	H	α-helix	trans	-65	-37	178.5	-64.5	-177.5	179.4	179.1	0	111.7	N653 N659	N653-K655 PolarHBondContact OD1-N 2.77Å; N653-K655 VanDerWaalsContact OD1-N 3.08Å; K655-N659 WeakPolarHBondContact O-CB 3.41Å; K655-N659 PolarHBondContact O-N 2.61Å
656	A	94.2	Very high	93.7	Very high	15 Å²	15	61.2 Å²	61.2	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-43.1	172.3	0	0	0	0	0	111.7	N653 L654 L658 N659 S662 L667	N653-A656 HydrophobicContact CB-CB 3.84Å; N653-A656 PolarHBondContact O-N 3.2Å; N653-A656 PolarHBondContact OD1-N 3.17Å; L654-A656 VanDerWaalsContact C-N 3.32Å; L654-A656 PolarHBondContact O-N 3.35Å; A656-L658 VanDerWaalsContact C-N 3.34Å; A656-L658 PolarHBondContact O-N 2.9Å; A656-N659 PolarHBondContact O-N 2.73Å; A656-N659 VanDerWaalsContact O-O 3.07Å; A656-S662 WeakPolarHBondContact O-CB 3.25Å; A656-S662 PolarHBondContact O-OG 2.95Å; A656-L667 HydrophobicContact CB-CD2 4.01Å
657	A	94.1	Very high	93.5	Very high	2 Å²	2	59.7 Å²	59.7	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-33	-179.7	0	0	0	0	0	114	I611 L623 N653 L654 L667	I611-A657 HydrophobicContact CD1-CB 3.62Å; L623-A657 HydrophobicContact CD2-CB 3.99Å; N653-A657 WeakPolarHBondContact O-CB 3.32Å; N653-A657 PolarHBondContact O-N 2.83Å; L654-A657 PolarHBondContact O-N 2.66Å; A657-L667 HydrophobicContact CB-CD2 4.22Å
658	L	93	Very high	93.4	Very high	70 Å²	70	61.7 Å²	61.7	37%	0.366	31%	0.31	S	S	.	.	H	α-helix	trans	-79	-22.1	174.3	-67.7	171.5	0	0	0	113.3	L599 I611 F620 L654 A656 P660	L599-L658 HydrophobicContact CD1-CD1 4.01Å; L599-L658 HydrophobicContact CD1-CD2 4.13Å; L599-L658 HydrophobicContact CD2-CD2 3.96Å; I611-L658 HydrophobicContact CG2-CD2 4Å; F620-L658 HydrophobicContact CD2-CD2 4.47Å; L654-L658 HydrophobicContact CD1-CD1 4.03Å; L654-L658 HydrophobicContact CD1-CG 4.11Å; L654-L658 HydrophobicContact CG-CD1 3.94Å; L654-L658 HydrophobicContact CG-CG 4.43Å; L654-L658 WeakPolarHBondContact O-CG 3.23Å; L654-L658 PolarHBondContact O-N 3.18Å; A656-L658 VanDerWaalsContact C-N 3.34Å; A656-L658 PolarHBondContact O-N 2.9Å; L658-P660 WeakPolarHBondContact O-CD 3.3Å
659	N	93	Very high	93.1	Very high	76 Å²	76	62.6 Å²	62.6	41%	0.406	32%	0.315	S	S	.	.			trans	-83.6	111.9	175.4	-179.7	-4.9	0	0	0	110.2	K655 A656 R661 S662	K655-N659 WeakPolarHBondContact O-CB 3.41Å; K655-N659 PolarHBondContact O-N 2.61Å; A656-N659 PolarHBondContact O-N 2.73Å; A656-N659 VanDerWaalsContact O-O 3.07Å; N659-R661 PolarHBondContact O-N 3.1Å; N659-R661 VanDerWaalsContact O-N 3.08Å; N659-R661 WeakPolarHBondContact OD1-CB 3.24Å; N659-R661 PolarHBondContact OD1-N 3.34Å; N659-S662 WeakPolarHBondContact O-CB 3.27Å; N659-S662 PolarHBondContact O-N 3.13Å; N659-S662 VanDerWaalsContact O-N 3.1Å; N659-S662 PolarHBondContact O-OG 3.32Å
660	P	90.1	Very high	92.9	Very high	98 Å²	98	65.5 Å²	65.5	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	-176.9	26.1	-34.9	0	0	0	113.5	R621 L658 S662	R621-P660 PolarHBondContact NH1-O 2.89Å; L658-P660 WeakPolarHBondContact O-CD 3.3Å; P660-S662 VanDerWaalsContact C-N 3.31Å; P660-S662 PolarHBondContact O-N 3.2Å
661	R	92.3	Very high	92.8	Very high	232 Å²	232	67.3 Å²	67.3	88%	0.875	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.2	179.1	-57.5	177.1	176.7	160	-1.1	113.9	N659	N659-R661 PolarHBondContact O-N 3.1Å; N659-R661 VanDerWaalsContact O-N 3.08Å; N659-R661 WeakPolarHBondContact OD1-CB 3.24Å; N659-R661 PolarHBondContact OD1-N 3.34Å
662	S	92.8	Very high	92.7	Very high	12 Å²	12	67.3 Å²	67.3	8%	0.084	34%	0.341	C	S	.	.			trans	-68.1	146.5	177.3	63.7	0	0	0	0	111.9	R621 A656 N659 P660 L667	R621-S662 PolarHBondContact NH2-O 2.88Å; R621-S662 PolarHBondContact NH2-OG 2.99Å; A656-S662 WeakPolarHBondContact O-CB 3.25Å; A656-S662 PolarHBondContact O-OG 2.95Å; N659-S662 WeakPolarHBondContact O-CB 3.27Å; N659-S662 PolarHBondContact O-N 3.13Å; N659-S662 VanDerWaalsContact O-N 3.1Å; N659-S662 PolarHBondContact O-OG 3.32Å; P660-S662 VanDerWaalsContact C-N 3.31Å; P660-S662 PolarHBondContact O-N 3.2Å; S662-L667 WeakPolarHBondContact OG-CD2 3.31Å
663	K	90.9	Very high	92.5	Very high	134 Å²	134	72.4 Å²	72.4	58%	0.583	37%	0.365	S	S	*	.			trans	-84.5	147.8	172.6	-64.4	-177.8	179	-179.7	0	110.2	N665 Q666	K663-N665 WeakPolarHBondContact CB-OD1 3.22Å; K663-N665 PolarHBondContact O-N 2.89Å; K663-N665 VanDerWaalsContact O-N 3.16Å; K663-Q666 HydrophobicContact CB-CG 4.29Å; K663-Q666 WeakPolarHBondContact O-CB 3.34Å; K663-Q666 PolarHBondContact O-N 3.46Å
664	P	88.1	Confident	92.5	Very high	103 Å²	103	73 Å²	73	67%	0.669	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-54.3	-35.6	-179.6	-28.6	36.2	0	0	0	114.5	Q666 L667	P664-Q666 PolarHBondContact O-N 3.14Å; P664-L667 WeakPolarHBondContact O-CB 3.24Å; P664-L667 WeakPolarHBondContact O-CG 3.42Å; P664-L667 PolarHBondContact O-N 3.41Å; P664-L667 VanDerWaalsContact O-N 3.13Å
665	N	87.1	Confident	92.5	Very high	131 Å²	131	73.1 Å²	73.1	70%	0.701	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-71.2	-3.7	177.3	71.2	-35.5	0	0	0	114.8	K663	K663-N665 WeakPolarHBondContact CB-OD1 3.22Å; K663-N665 PolarHBondContact O-N 2.89Å; K663-N665 VanDerWaalsContact O-N 3.16Å
666	Q	85.7	Confident	92.6	Very high	111 Å²	111	72.3 Å²	72.3	52%	0.519	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-100.2	-1.8	173	-59.3	173.8	-50.2	0	0	112.3	K663 P664	K663-Q666 HydrophobicContact CB-CG 4.29Å; K663-Q666 WeakPolarHBondContact O-CB 3.34Å; K663-Q666 PolarHBondContact O-N 3.46Å; P664-Q666 PolarHBondContact O-N 3.14Å
667	L	92.6	Very high	92.6	Very high	7 Å²	7	72.2 Å²	72.2	4%	0.037	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-48.4	-173.4	-59.2	-179.3	0	0	0	112.2	L623 W652 N653 A656 A657 S662 P664	L623-L667 HydrophobicContact CD2-CD1 3.85Å; W652-L667 CarbonylContact C-O 3.54Å; W652-L667 WeakPolarHBondContact CA-O 3.46Å; W652-L667 WeakPolarHBondContact CB-O 3.4Å; W652-L667 HydrophobicContact CE3-CB 4.25Å; N653-L667 PolarHBondContact N-O 3.36Å; A656-L667 HydrophobicContact CB-CD2 4.01Å; A657-L667 HydrophobicContact CB-CD2 4.22Å; S662-L667 WeakPolarHBondContact OG-CD2 3.31Å; P664-L667 WeakPolarHBondContact O-CB 3.24Å; P664-L667 WeakPolarHBondContact O-CG 3.42Å; P664-L667 PolarHBondContact O-N 3.41Å; P664-L667 VanDerWaalsContact O-N 3.13Å
668	C	93.7	Very high	92.8	Very high	43 Å²	43	76.6 Å²	76.6	29%	0.291	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.7	174	-174.8	0	0	0	0	109.3	W652	W652-C668 HydrophobicContact CD2-CB 4.43Å; W652-C668 HydrophobicContact CE3-CB 3.76Å; W652-C668 HydrophobicContact CZ3-CB 3.82Å
669	I	93.1	Very high	93	Very high	46 Å²	46	73.3 Å²	73.3	24%	0.236	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-50.9	175.8	-55.8	179.9	0	0	0	109.5	T349 V651 N653	T349-I669 HydrophobicContact CG2-CG2 4.45Å; V651-I669 HydrophobicContact CG1-CD1 4.23Å; V651-I669 PolarHBondContact O-N 3.03Å; N653-I669 HydrophobicContact CB-CD1 3.93Å; N653-I669 HydrophobicContact CB-CG1 3.96Å
670	H	92.7	Very high	93.3	Very high	62 Å²	62	70 Å²	70	29%	0.287	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.5	-175.9	-150.3	87	0	0	0	111.8	R350 V651	R350-H670 PolarHBondContact O-CE1 3Å; R350-H670 VanDerWaalsContact O-CE1 3.24Å; R350-H670 PolarHBondContact O-ND1 3.31Å; V651-H670 PolarHBondContact N-O 3.41Å; V651-H670 PolarHBondContact O-N 2.77Å
671	T	95.9	Very high	93.7	Very high	52 Å²	52	68.2 Å²	68.2	32%	0.319	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.9	168.9	-60.3	0	0	0	0	108.6	K648 K650	K648-T671 HydrophobicContact CB-CG2 4Å; K648-T671 HydrophobicContact CD-CG2 4.05Å; K648-T671 HydrophobicContact CG-CG2 4.22Å; K650-T671 HydrophobicContact CG-CG2 4.02Å; K650-T671 PolarHBondContact NZ-OG1 2.84Å
672	L	95.5	Very high	94	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.2	178.6	-63	168.8	0	0	0	109.2	Y353 I649 V651 I689 W701 F703	Y353-L672 HydrophobicContact CD1-CD2 3.84Å; Y353-L672 HydrophobicContact CE1-CD2 3.45Å; Y353-L672 VanDerWaalsContact CE1-CD2 3.45Å; I649-L672 HydrophobicContact CB-CB 4.23Å; I649-L672 HydrophobicContact CG2-CD1 4.48Å; I649-L672 PolarHBondContact N-O 2.76Å; I649-L672 PolarHBondContact O-N 3.02Å; V651-L672 HydrophobicContact CG2-CD1 4.01Å; L672-I689 HydrophobicContact CD1-CD1 3.73Å; L672-W701 HydrophobicContact CB-CE3 4.27Å; L672-W701 HydrophobicContact CB-CH2 3.74Å; L672-W701 HydrophobicContact CB-CZ3 3.62Å; L672-W701 HydrophobicContact CD1-CE3 4.17Å; L672-W701 HydrophobicContact CD1-CZ3 4.36Å; L672-W701 HydrophobicContact CD2-CE3 4.13Å; L672-W701 HydrophobicContact CD2-CZ3 3.98Å; L672-W701 HydrophobicContact CG-CE3 4.43Å; L672-W701 HydrophobicContact CG-CZ3 4.2Å; L672-F703 HydrophobicContact CD1-CZ 4.22Å
673	Q	94.1	Very high	94.2	Very high	113 Å²	113	59.1 Å²	59.1	53%	0.528	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	109.8	-179.3	-172	172.9	-12.6	0	0	110.2	K648	K648-Q673 VanDerWaalsContact CE-OE1 3.26Å; K648-Q673 HydrophobicContact CG-CB 4.4Å; K648-Q673 HydrophobicContact CG-CG 4.16Å
674	Q	95.2	Very high	94.5	Very high	68 Å²	68	53.9 Å²	53.9	32%	0.318	28%	0.28	S	S	.	.			trans	-149.3	-26.5	-179.9	-67.9	-70.1	-16	0	0	112.5	Y353 L355 L699 W701	Y353-Q674 PolarHBondContact OH-NE2 3.09Å; Y353-Q674 VanDerWaalsContact OH-NE2 3.14Å; L355-Q674 HydrophobicContact CD2-CB 4.14Å; L355-Q674 HydrophobicContact CD2-CG 3.69Å; Q674-L699 HydrophobicContact CB-CD1 3.69Å; Q674-W701 HydrophobicContact CB-CH2 3.4Å; Q674-W701 VanDerWaalsContact CB-CH2 3.4Å; Q674-W701 HydrophobicContact CB-CZ2 3.93Å; Q674-W701 HydrophobicContact CB-CZ3 4.05Å; Q674-W701 HydrophobicContact CG-CE3 4.47Å; Q674-W701 HydrophobicContact CG-CH2 3.34Å; Q674-W701 HydrophobicContact CG-CZ2 4.27Å; Q674-W701 HydrophobicContact CG-CZ3 3.45Å; Q674-W701 VanDerWaalsContact CG-CZ3 3.45Å
675	H	96	Very high	94.9	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.037	26%	0.26	C	S	.	.			trans	-67.7	143.2	166.5	-80.1	-58.3	0	0	0	110	V679 S691 S693 D695 T697 L699	H675-V679 HydrophobicContact CB-CG2 4.35Å; H675-S691 PolarHBondContact NE2-OG 3.04Å; H675-S693 WeakPolarHBondContact CE1-CB 3.28Å; H675-S693 WeakPolarHBondContact ND1-CB 3.29Å; H675-D695 VanDerWaalsContact CA-OD2 3.3Å; H675-D695 WeakPolarHBondContact CA-OD2 3.23Å; H675-D695 VanDerWaalsContact CB-OD2 3.25Å; H675-D695 WeakPolarHBondContact CB-OD2 3.38Å; H675-D695 IonicContact CG-OD2 3.84Å; H675-D695 IonicContact ND1-OD1 3.64Å; H675-D695 PolarHBondContact ND1-OD1 2.7Å; H675-D695 IonicContact ND1-OD2 2.68Å; H675-D695 PolarHBondContact ND1-OD2 2.98Å; H675-T697 PolarHBondContact CE1-OG1 3.06Å; H675-T697 PolarHBondContact ND1-OG1 2.94Å; H675-L699 VanDerWaalsContact CE1-CG 3.45Å; H675-L699 WeakPolarHBondContact CE1-CG 3.45Å
676	T	94.6	Very high	95.2	Very high	133 Å²	133	46.4 Å²	46.4	82%	0.816	23%	0.234	S	C	*	.	S	Bend	trans	-102	-0.4	175.9	56.9	0	0	0	0	112.2	D695	T676-D695 PolarHBondContact N-OD2 3.42Å; T676-D695 VanDerWaalsContact OG1-CB 3.23Å; T676-D695 WeakPolarHBondContact OG1-CB 3.35Å
677	G	94.9	Very high	95.6	Very high	13 Å²	13	41.6 Å²	41.6	13%	0.134	21%	0.212	C	C	.	.	S	Bend	trans	-136	179	176.5	0	0	0	0	0	113.5	G647 V679 S693 D695	G647-G677 VanDerWaalsContact CA-O 3.24Å; G647-G677 WeakPolarHBondContact CA-O 3.35Å; G677-V679 PolarHBondContact O-N 2.93Å; G677-S693 VanDerWaalsContact C-OG 3.24Å; G677-S693 PolarHBondContact O-OG 2.91Å; G677-S693 VanDerWaalsContact O-OG 3.13Å; G677-D695 PolarHBondContact N-OD2 3.49Å
678	R	97.4	Very high	95.7	Very high	94 Å²	94	41.8 Å²	41.8	36%	0.355	21%	0.212	S	C	.	.			trans	-55.5	121.3	179.5	-64.1	173.9	-78.3	-160.2	-4.6	111.5	Y645 F680 S693 H694	Y645-R678 HydrophobicContact CD1-CB 3.62Å; Y645-R678 HydrophobicContact CD1-CG 3.64Å; Y645-R678 HydrophobicContact CD2-CG 4.34Å; Y645-R678 HydrophobicContact CE1-CB 4.04Å; Y645-R678 HydrophobicContact CE1-CG 4.18Å; Y645-R678 HydrophobicContact CG-CB 4.21Å; Y645-R678 HydrophobicContact CG-CG 3.71Å; Y645-R678 WeakPolarHBondContact O-CG 3.49Å; R678-F680 HydrophobicContact CB-CE1 4.12Å; R678-F680 PolarHBondContact O-N 2.89Å; R678-S693 VanDerWaalsContact O-CA 3.3Å; R678-S693 WeakPolarHBondContact O-CA 3.36Å; R678-S693 PolarHBondContact O-OG 3.21Å; R678-H694 HydrophobicContact CB-CB 4.12Å; R678-H694 PolarHBondContact NH2-CD2 2.88Å; R678-H694 PolarHBondContact NH2-NE2 2.88Å; R678-H694 PolarHBondContact O-N 2.91Å
679	V	98.2	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	112.5	177.5	-167.1	0	0	0	0	109.5	R631 A644 I649 H675 G677 S692	R631-V679 WeakPolarHBondContact CB-O 3.37Å; R631-V679 WeakPolarHBondContact CG-O 3.4Å; A644-V679 PolarHBondContact O-N 3.12Å; A644-V679 VanDerWaalsContact O-N 3.14Å; I649-V679 HydrophobicContact CD1-CG1 4.18Å; I649-V679 HydrophobicContact CG1-CG1 4.25Å; I649-V679 HydrophobicContact CG1-CG2 4.08Å; H675-V679 HydrophobicContact CB-CG2 4.35Å; G677-V679 PolarHBondContact O-N 2.93Å; V679-S692 CarbonylContact C-O 3.56Å
680	F	98.1	Very high	96.1	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.035	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-38.3	-173.6	-72.7	-40.7	0	0	0	113.8	V368 Y369 R631 C632 Y645 R678 S692 H694	V368-F680 WeakPolarHBondContact O-CB 3.18Å; Y369-F680 HydrophobicContact CD1-CD1 4.19Å; Y369-F680 AromaticContact CD1-CD2 3.69Å; Y369-F680 HydrophobicContact CD1-CD2 3.69Å; Y369-F680 HydrophobicContact CD1-CE1 4.26Å; Y369-F680 AromaticContact CD1-CE2 3.74Å; Y369-F680 HydrophobicContact CD1-CE2 3.74Å; Y369-F680 AromaticContact CD1-CG 3.92Å; Y369-F680 HydrophobicContact CD1-CG 3.92Å; Y369-F680 HydrophobicContact CD1-CZ 4.03Å; Y369-F680 HydrophobicContact CE1-CD1 4.38Å; Y369-F680 HydrophobicContact CE1-CD2 4.07Å; Y369-F680 AromaticContact CE1-CE1 3.99Å; Y369-F680 HydrophobicContact CE1-CE1 3.99Å; Y369-F680 AromaticContact CE1-CE2 3.61Å; Y369-F680 HydrophobicContact CE1-CE2 3.61Å; Y369-F680 HydrophobicContact CE1-CG 4.43Å; Y369-F680 AromaticContact CE1-CZ 3.57Å; Y369-F680 HydrophobicContact CE1-CZ 3.57Å; Y369-F680 HydrophobicContact CG-CD2 4.49Å; R631-F680 HydrophobicContact CG-CD1 4.18Å; C632-F680 WeakPolarHBondContact CB-O 3.22Å; Y645-F680 HydrophobicContact CE1-CE1 4.34Å; R678-F680 HydrophobicContact CB-CE1 4.12Å; R678-F680 PolarHBondContact O-N 2.89Å; F680-S692 PolarHBondContact N-O 3.17Å; F680-H694 HydrophobicContact CD2-CB 4.39Å; F680-H694 HydrophobicContact CE2-CB 3.62Å; F680-H694 AromaticContact CE2-CD2 4Å; F680-H694 HydrophobicContact CZ-CB 3.79Å; F680-H694 AromaticContact CZ-CD2 3.79Å
681	R	98.3	Very high	96.4	Very high	60 Å²	60	34.6 Å²	34.6	23%	0.226	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.7	178.5	-159.6	71.3	168.6	179.1	2.4	110.6	L371 H508 S691 S692	L371-R681 HydrophobicContact CD2-CB 4.29Å; L371-R681 HydrophobicContact CG-CB 4.32Å; L371-R681 HydrophobicContact CG-CG 4.18Å; H508-R681 PolarHBondContact NE2-NH1 2.75Å; H508-R681 PolarHBondContact NE2-NH2 3.03Å; R681-S691 WeakPolarHBondContact O-CA 3.26Å; R681-S692 PolarHBondContact N-O 3.28Å; R681-S692 PolarHBondContact O-N 2.58Å
682	L	98.3	Very high	96.5	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.2	163.8	64.9	87.7	0	0	0	110.7	R634 V641 I649 F684 I689 V690	R634-L682 HydrophobicContact CB-CD1 4.03Å; R634-L682 HydrophobicContact CG-CD1 3.92Å; R634-L682 WeakPolarHBondContact CG-O 3.5Å; V641-L682 HydrophobicContact CB-CD1 3.97Å; V641-L682 HydrophobicContact CG1-CD1 3.8Å; V641-L682 HydrophobicContact CG1-CD2 3.88Å; I649-L682 HydrophobicContact CG2-CD2 4.25Å; L682-F684 HydrophobicContact CD1-CD1 4.37Å; L682-I689 HydrophobicContact CB-CG2 4.42Å; L682-V690 CarbonylContact C-O 3.57Å; L682-V690 VanDerWaalsContact CA-O 3.23Å; L682-V690 WeakPolarHBondContact CA-O 3.2Å
683	Q	98.2	Very high	96.6	Very high	50 Å²	50	32 Å²	32	23%	0.234	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.1	165.2	178.8	-174.3	-27.7	0	0	106.6	L371 Q372 Y373 V690	L371-Q683 HydrophobicContact CD1-CB 4Å; Q372-Q683 VanDerWaalsContact CA-OE1 3.29Å; Y373-Q683 HydrophobicContact CD1-CB 3.84Å; Y373-Q683 HydrophobicContact CD1-CG 3.79Å; Y373-Q683 HydrophobicContact CE1-CB 3.59Å; Y373-Q683 VanDerWaalsContact CE1-CD 3.45Å; Y373-Q683 HydrophobicContact CE1-CG 3.4Å; Y373-Q683 PolarHBondContact O-NE2 3.3Å; Q683-V690 PolarHBondContact N-O 3.09Å; Q683-V690 PolarHBondContact O-N 3.28Å; Q683-V690 VanDerWaalsContact O-O 3.12Å
684	F	97.7	Very high	96.6	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.105	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.6	174.6	78.8	-84	0	0	0	111.3	W348 Y373 R634 D636 V641 L682 Q688 I689	W348-F684 AromaticContact CH2-CD2 3.94Å; W348-F684 HydrophobicContact CH2-CD2 3.94Å; Y373-F684 VanDerWaalsContact OH-C 3.26Å; Y373-F684 WeakPolarHBondContact OH-CA 3.39Å; R634-F684 HydrophobicContact CB-CD1 3.92Å; R634-F684 HydrophobicContact CB-CE1 3.75Å; D636-F684 HydrophobicContact CB-CE2 4.09Å; D636-F684 HydrophobicContact CB-CZ 3.98Å; D636-F684 WeakPolarHBondContact OD2-CE2 3.26Å; V641-F684 HydrophobicContact CB-CD1 3.74Å; V641-F684 HydrophobicContact CB-CE1 3.8Å; V641-F684 HydrophobicContact CB-CG 4.37Å; V641-F684 HydrophobicContact CB-CZ 4.47Å; V641-F684 HydrophobicContact CG2-CD1 3.6Å; V641-F684 HydrophobicContact CG2-CD2 4.02Å; V641-F684 HydrophobicContact CG2-CE1 3.57Å; V641-F684 HydrophobicContact CG2-CE2 3.99Å; V641-F684 HydrophobicContact CG2-CG 3.83Å; V641-F684 HydrophobicContact CG2-CZ 3.78Å; L682-F684 HydrophobicContact CD1-CD1 4.37Å; F684-Q688 CarbonylContact C-O 3.6Å; F684-Q688 WeakPolarHBondContact CA-O 3.48Å; F684-Q688 VanDerWaalsContact CB-O 3.3Å; F684-Q688 WeakPolarHBondContact CB-O 3.44Å; F684-I689 HydrophobicContact CB-CB 4.24Å; F684-I689 HydrophobicContact CB-CG1 3.84Å; F684-I689 HydrophobicContact CB-CG2 4.45Å
685	D	95.1	Very high	96.6	Very high	46 Å²	46	27.4 Å²	27.4	25%	0.246	14%	0.137	C	C	.	.			trans	-133.6	-174.9	170.2	59.6	57.2	0	0	0	109.6	W348 Y373 F687 Q688	W348-D685 WeakPolarHBondContact CZ2-O 3.41Å; Y373-D685 VanDerWaalsContact CE2-OD2 3.3Å; Y373-D685 WeakPolarHBondContact CE2-OD2 3.5Å; Y373-D685 VanDerWaalsContact OH-CG 3.25Å; Y373-D685 PolarHBondContact OH-N 3.15Å; Y373-D685 PolarHBondContact OH-OD2 2.82Å; D685-F687 PolarHBondContact O-N 2.88Å; D685-F687 WeakPolarHBondContact OD1-CA 3.48Å; D685-F687 WeakPolarHBondContact OD1-CB 3.21Å; D685-F687 PolarHBondContact OD1-N 3.26Å; D685-Q688 PolarHBondContact N-O 3.13Å; D685-Q688 PolarHBondContact OD1-N 3.26Å; D685-Q688 WeakPolarHBondContact OD2-CG 3.43Å
686	D	94.1	Very high	96.5	Very high	30 Å²	30	27.6 Å²	27.6	16%	0.16	14%	0.138	C	C	.	.	S	Bend	trans	-58.7	-17.7	-179.9	-81.1	-82.6	0	0	0	115.1	V168 W348 K638	V168-D686 HydrophobicContact CG2-CB 4.15Å; W348-D686 PolarHBondContact NE1-O 2.79Å; K638-D686 VanDerWaalsContact CE-OD1 3.28Å; K638-D686 WeakPolarHBondContact CE-OD1 3.42Å; K638-D686 IonicContact NZ-OD1 2.65Å; K638-D686 PolarHBondContact NZ-OD1 2.93Å
687	F	94	Very high	96.5	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.048	11%	0.108	C	C	.	.	S	Bend	trans	-114.7	-28.8	-173.1	-49.9	-75.8	0	0	0	114	V168 L172 V344 D685 F703 A704	V168-F687 HydrophobicContact CG1-CE1 4.44Å; V168-F687 HydrophobicContact CG1-CZ 4.31Å; V168-F687 WeakPolarHBondContact O-CZ 3.43Å; L172-F687 HydrophobicContact CB-CE1 3.86Å; L172-F687 HydrophobicContact CB-CZ 4.07Å; L172-F687 HydrophobicContact CD1-CE1 4.06Å; L172-F687 VanDerWaalsContact N-CZ 3.32Å; V344-F687 HydrophobicContact CG1-CD1 4.32Å; D685-F687 PolarHBondContact O-N 2.88Å; D685-F687 WeakPolarHBondContact OD1-CA 3.48Å; D685-F687 WeakPolarHBondContact OD1-CB 3.21Å; D685-F687 PolarHBondContact OD1-N 3.26Å; F687-F703 WeakPolarHBondContact O-CA 3.43Å; F687-F703 WeakPolarHBondContact O-CB 3.36Å; F687-F703 PolarHBondContact O-N 3.1Å; F687-A704 HydrophobicContact CB-CB 4.16Å; F687-A704 HydrophobicContact CD1-CB 4.1Å
688	Q	94.9	Very high	96.6	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.047	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154	-174.8	71.1	-171.5	24.3	0	0	114.9	R175 Y373 F684 D685 W701	R175-Q688 VanDerWaalsContact NH2-CD 3.31Å; Y373-Q688 HydrophobicContact CE2-CG 4.45Å; Y373-Q688 VanDerWaalsContact CE2-NE2 3.26Å; F684-Q688 CarbonylContact C-O 3.6Å; F684-Q688 WeakPolarHBondContact CA-O 3.48Å; F684-Q688 VanDerWaalsContact CB-O 3.3Å; F684-Q688 WeakPolarHBondContact CB-O 3.44Å; D685-Q688 PolarHBondContact N-O 3.13Å; D685-Q688 PolarHBondContact OD1-N 3.26Å; D685-Q688 WeakPolarHBondContact OD2-CG 3.43Å; Q688-W701 CarbonylContact C-O 3.55Å; Q688-W701 WeakPolarHBondContact CA-O 2.95Å; Q688-W701 WeakPolarHBondContact CB-O 3.47Å
689	I	97.6	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.8	161.1	-56.4	163.3	0	0	0	107.9	W348 V641 V651 L672 L682 F684 I700 W701 F703	W348-I689 HydrophobicContact CH2-CD1 3.96Å; W348-I689 HydrophobicContact CH2-CG1 3.59Å; W348-I689 HydrophobicContact CZ2-CG1 4.49Å; W348-I689 HydrophobicContact CZ3-CD1 3.92Å; W348-I689 HydrophobicContact CZ3-CG1 4.1Å; V641-I689 HydrophobicContact CG1-CD1 3.88Å; V641-I689 HydrophobicContact CG1-CG1 4.3Å; V641-I689 HydrophobicContact CG1-CG2 4.46Å; V641-I689 HydrophobicContact CG2-CD1 4.49Å; V651-I689 HydrophobicContact CG2-CD1 4.35Å; L672-I689 HydrophobicContact CD1-CD1 3.73Å; L682-I689 HydrophobicContact CB-CG2 4.42Å; F684-I689 HydrophobicContact CB-CB 4.24Å; F684-I689 HydrophobicContact CB-CG1 3.84Å; F684-I689 HydrophobicContact CB-CG2 4.45Å; I689-I700 WeakPolarHBondContact O-CA 3.4Å; I689-W701 HydrophobicContact CB-CB 4.14Å; I689-W701 HydrophobicContact CB-CG 4.19Å; I689-W701 PolarHBondContact N-O 3.48Å; I689-W701 PolarHBondContact O-N 3.08Å; I689-F703 HydrophobicContact CD1-CE2 3.96Å; I689-F703 HydrophobicContact CD1-CZ 4.17Å; I689-F703 HydrophobicContact CG1-CE2 4.07Å
690	V	97.7	Very high	96.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.9	163.4	-177.1	0	0	0	0	107.6	L371 Y373 I378 L682 Q683 I698 L699 I700	L371-V690 HydrophobicContact CD1-CB 4.17Å; L371-V690 HydrophobicContact CD1-CG1 3.84Å; L371-V690 HydrophobicContact CD2-CG1 4.16Å; Y373-V690 HydrophobicContact CD1-CB 3.58Å; Y373-V690 HydrophobicContact CD1-CG1 4.27Å; Y373-V690 HydrophobicContact CD1-CG2 3.41Å; Y373-V690 VanDerWaalsContact CD1-CG2 3.41Å; Y373-V690 HydrophobicContact CD2-CG2 4.45Å; Y373-V690 HydrophobicContact CE1-CB 3.69Å; Y373-V690 HydrophobicContact CE1-CG2 3.41Å; Y373-V690 VanDerWaalsContact CE1-CG2 3.41Å; Y373-V690 HydrophobicContact CE2-CG2 4.49Å; Y373-V690 HydrophobicContact CG-CB 4.49Å; Y373-V690 HydrophobicContact CG-CG2 3.96Å; I378-V690 HydrophobicContact CD1-CG1 4.1Å; I378-V690 HydrophobicContact CG2-CG1 4.48Å; L682-V690 CarbonylContact C-O 3.57Å; L682-V690 VanDerWaalsContact CA-O 3.23Å; L682-V690 WeakPolarHBondContact CA-O 3.2Å; Q683-V690 PolarHBondContact N-O 3.09Å; Q683-V690 PolarHBondContact O-N 3.28Å; Q683-V690 VanDerWaalsContact O-O 3.12Å; V690-I698 HydrophobicContact CG1-CG2 3.67Å; V690-L699 WeakPolarHBondContact CA-O 3.41Å; V690-I700 HydrophobicContact CG1-CG1 4.44Å; V690-I700 HydrophobicContact CG2-CG1 4.26Å; V690-I700 HydrophobicContact CG2-CG2 4.2Å
691	S	98.2	Very high	96.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.5	-177.1	61.7	0	0	0	0	112.3	I649 H675 R681 I698 L699 W701	I649-S691 WeakPolarHBondContact CD1-OG 3.36Å; H675-S691 PolarHBondContact NE2-OG 3.04Å; R681-S691 WeakPolarHBondContact O-CA 3.26Å; S691-I698 CarbonylContact O-C 3.44Å; S691-I698 VanDerWaalsContact O-CA 3.3Å; S691-I698 WeakPolarHBondContact O-CA 3.29Å; S691-L699 PolarHBondContact N-O 3.02Å; S691-L699 PolarHBondContact O-N 2.88Å; S691-W701 PolarHBondContact OG-NE1 2.88Å
692	S	97.7	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152	178.1	76.4	0	0	0	0	112.2	V368 V679 F680 R681	V368-S692 WeakPolarHBondContact O-CB 3.25Å; V368-S692 PolarHBondContact O-OG 2.86Å; V679-S692 CarbonylContact C-O 3.56Å; F680-S692 PolarHBondContact N-O 3.17Å; R681-S692 PolarHBondContact N-O 3.28Å; R681-S692 PolarHBondContact O-N 2.58Å
693	S	97.4	Very high	95.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.6	-168.3	171.1	0	0	0	0	113.7	G367 V368 H675 G677 R678 D695 T697	G367-S693 WeakPolarHBondContact CA-O 3.29Å; V368-S693 PolarHBondContact N-O 3.41Å; H675-S693 WeakPolarHBondContact CE1-CB 3.28Å; H675-S693 WeakPolarHBondContact ND1-CB 3.29Å; G677-S693 VanDerWaalsContact C-OG 3.24Å; G677-S693 PolarHBondContact O-OG 2.91Å; G677-S693 VanDerWaalsContact O-OG 3.13Å; R678-S693 VanDerWaalsContact O-CA 3.3Å; R678-S693 WeakPolarHBondContact O-CA 3.36Å; R678-S693 PolarHBondContact O-OG 3.21Å; S693-D695 VanDerWaalsContact CB-CG 3.47Å; S693-D695 WeakPolarHBondContact CB-OD1 3.32Å; S693-D695 VanDerWaalsContact CB-OD2 3.27Å; S693-D695 WeakPolarHBondContact CB-OD2 3.43Å; S693-D695 PolarHBondContact O-N 2.81Å; S693-D695 PolarHBondContact OG-N 2.95Å; S693-D695 VanDerWaalsContact OG-N 3.1Å; S693-D695 PolarHBondContact OG-OD1 2.91Å; S693-D695 PolarHBondContact OG-OD2 3.1Å; S693-T697 PolarHBondContact N-O 3.49Å
694	H	95.8	Very high	95.4	Very high	54 Å²	54	12.9 Å²	12.9	25%	0.25	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.7	165.9	-174.4	-88.8	0	0	0	113.8	R678 F680 D696	R678-H694 HydrophobicContact CB-CB 4.12Å; R678-H694 PolarHBondContact NH2-CD2 2.88Å; R678-H694 PolarHBondContact NH2-NE2 2.88Å; R678-H694 PolarHBondContact O-N 2.91Å; F680-H694 HydrophobicContact CD2-CB 4.39Å; F680-H694 HydrophobicContact CE2-CB 3.62Å; F680-H694 AromaticContact CE2-CD2 4Å; F680-H694 HydrophobicContact CZ-CB 3.79Å; F680-H694 AromaticContact CZ-CD2 3.79Å; H694-D696 PolarHBondContact O-N 3.44Å
695	D	94.2	Very high	94.5	Very high	32 Å²	32	15.4 Å²	15.4	17%	0.171	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	5.4	176.6	58.3	41.2	0	0	0	114.8	H675 T676 G677 S693 T697	H675-D695 VanDerWaalsContact CA-OD2 3.3Å; H675-D695 WeakPolarHBondContact CA-OD2 3.23Å; H675-D695 VanDerWaalsContact CB-OD2 3.25Å; H675-D695 WeakPolarHBondContact CB-OD2 3.38Å; H675-D695 IonicContact CG-OD2 3.84Å; H675-D695 IonicContact ND1-OD1 3.64Å; H675-D695 PolarHBondContact ND1-OD1 2.7Å; H675-D695 IonicContact ND1-OD2 2.68Å; H675-D695 PolarHBondContact ND1-OD2 2.98Å; T676-D695 PolarHBondContact N-OD2 3.42Å; T676-D695 VanDerWaalsContact OG1-CB 3.23Å; T676-D695 WeakPolarHBondContact OG1-CB 3.35Å; G677-D695 PolarHBondContact N-OD2 3.49Å; S693-D695 VanDerWaalsContact CB-CG 3.47Å; S693-D695 WeakPolarHBondContact CB-OD1 3.32Å; S693-D695 VanDerWaalsContact CB-OD2 3.27Å; S693-D695 WeakPolarHBondContact CB-OD2 3.43Å; S693-D695 PolarHBondContact O-N 2.81Å; S693-D695 PolarHBondContact OG-N 2.95Å; S693-D695 VanDerWaalsContact OG-N 3.1Å; S693-D695 PolarHBondContact OG-OD1 2.91Å; S693-D695 PolarHBondContact OG-OD2 3.1Å; D695-T697 VanDerWaalsContact C-N 3.28Å; D695-T697 PolarHBondContact O-N 3.19Å; D695-T697 WeakPolarHBondContact OD1-CB 3.4Å; D695-T697 PolarHBondContact OD1-N 2.81Å; D695-T697 PolarHBondContact OD1-OG1 3.43Å
696	D	93.5	Very high	92.9	Very high	12 Å²	12	16 Å²	16	6%	0.064	8%	0.082	C	C	.	.	S	Bend	trans	69.3	18	-178.8	-144.1	59.8	0	0	0	115.1	C360 R361 S362 K366 G367 H694	C360-D696 WeakPolarHBondContact CB-O 3.35Å; C360-D696 PolarHBondContact N-O 3.3Å; R361-D696 WeakPolarHBondContact CA-OD2 3.33Å; R361-D696 PolarHBondContact N-OD2 2.94Å; S362-D696 VanDerWaalsContact CB-OD1 3.27Å; S362-D696 WeakPolarHBondContact CB-OD1 3.38Å; S362-D696 PolarHBondContact N-OD2 3.29Å; S362-D696 PolarHBondContact OG-OD1 3.05Å; S362-D696 PolarHBondContact OG-OD2 3.03Å; K366-D696 WeakPolarHBondContact CA-OD1 3.11Å; K366-D696 HydrophobicContact CB-CB 4.04Å; K366-D696 HydrophobicContact CD-CB 4.25Å; K366-D696 HydrophobicContact CG-CB 4.09Å; G367-D696 PolarHBondContact N-OD1 3.26Å; H694-D696 PolarHBondContact O-N 3.44Å
697	T	96.1	Very high	91.1	Very high	30 Å²	30	17.1 Å²	17.1	18%	0.184	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.3	175.3	72.1	0	0	0	0	113.4	I358 H675 S693 D695	I358-T697 WeakPolarHBondContact O-CA 3.44Å; H675-T697 PolarHBondContact CE1-OG1 3.06Å; H675-T697 PolarHBondContact ND1-OG1 2.94Å; S693-T697 PolarHBondContact N-O 3.49Å; D695-T697 VanDerWaalsContact C-N 3.28Å; D695-T697 PolarHBondContact O-N 3.19Å; D695-T697 WeakPolarHBondContact OD1-CB 3.4Å; D695-T697 PolarHBondContact OD1-N 2.81Å; D695-T697 PolarHBondContact OD1-OG1 3.43Å
698	I	97	Very high	89	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.8	155.2	-63.7	164.4	0	0	0	107.1	I358 V368 I378 V690 S691	I358-I698 HydrophobicContact CB-CB 4.25Å; I358-I698 PolarHBondContact N-O 3.15Å; I358-I698 PolarHBondContact O-N 3.38Å; V368-I698 HydrophobicContact CG1-CD1 4.43Å; V368-I698 HydrophobicContact CG1-CG1 4.3Å; I378-I698 HydrophobicContact CD1-CG2 4.36Å; I378-I698 HydrophobicContact CG2-CD1 4.42Å; V690-I698 HydrophobicContact CG1-CG2 3.67Å; S691-I698 CarbonylContact O-C 3.44Å; S691-I698 VanDerWaalsContact O-CA 3.3Å; S691-I698 WeakPolarHBondContact O-CA 3.29Å
699	L	96.5	Very high	86.4	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.8	175.7	-63.6	-177.8	0	0	0	109.9	L355 R357 Q674 H675 V690 S691 W701	L355-L699 HydrophobicContact CD1-CB 4.25Å; L355-L699 HydrophobicContact CD1-CD2 4.46Å; R357-L699 HydrophobicContact CB-CD2 3.98Å; R357-L699 HydrophobicContact CG-CD2 3.5Å; R357-L699 VanDerWaalsContact CG-CD2 3.5Å; Q674-L699 HydrophobicContact CB-CD1 3.69Å; H675-L699 VanDerWaalsContact CE1-CG 3.45Å; H675-L699 WeakPolarHBondContact CE1-CG 3.45Å; V690-L699 WeakPolarHBondContact CA-O 3.41Å; S691-L699 PolarHBondContact N-O 3.02Å; S691-L699 PolarHBondContact O-N 2.88Å; L699-W701 HydrophobicContact CD1-CZ2 3.84Å
700	I	95.5	Very high	83.1	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.2	172.6	-49	172.6	0	0	0	108	L355 T356 I358 I378 Y453 I689 V690	L355-I700 WeakPolarHBondContact CA-O 3.43Å; T356-I700 HydrophobicContact CG2-CD1 4.16Å; T356-I700 PolarHBondContact N-O 3.13Å; T356-I700 PolarHBondContact O-N 2.87Å; I358-I700 HydrophobicContact CD1-CD1 4.07Å; I378-I700 HydrophobicContact CD1-CD1 3.78Å; I378-I700 HydrophobicContact CD1-CG1 4.27Å; Y453-I700 HydrophobicContact CD2-CD1 3.92Å; Y453-I700 HydrophobicContact CE1-CD1 4.34Å; Y453-I700 HydrophobicContact CE2-CD1 3.26Å; I689-I700 WeakPolarHBondContact O-CA 3.4Å; V690-I700 HydrophobicContact CG1-CG1 4.44Å; V690-I700 HydrophobicContact CG2-CG1 4.26Å; V690-I700 HydrophobicContact CG2-CG2 4.2Å
701	W	95.3	Very high	80.1	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	94.4	-177.1	-45.3	70	0	0	0	107.3	Y353 L355 I649 L672 Q674 Q688 I689 S691 L699 F703	Y353-W701 HydrophobicContact CD1-CE3 4.23Å; Y353-W701 AromaticContact CD2-CE3 3.7Å; Y353-W701 HydrophobicContact CD2-CE3 3.7Å; Y353-W701 HydrophobicContact CD2-CZ3 4.41Å; Y353-W701 HydrophobicContact CE1-CE3 4.06Å; Y353-W701 HydrophobicContact CE1-CZ3 4.14Å; Y353-W701 AromaticContact CE2-CE3 3.48Å; Y353-W701 HydrophobicContact CE2-CE3 3.48Å; Y353-W701 VanDerWaalsContact CE2-CE3 3.48Å; Y353-W701 AromaticContact CE2-CZ3 3.73Å; Y353-W701 HydrophobicContact CE2-CZ3 3.73Å; Y353-W701 HydrophobicContact CG-CE3 4.09Å; Y353-W701 AromaticContact CZ-CE3 3.69Å; Y353-W701 AromaticContact CZ-CZ3 3.59Å; L355-W701 HydrophobicContact CD1-CD2 3.75Å; L355-W701 HydrophobicContact CD1-CE3 3.88Å; L355-W701 HydrophobicContact CD1-CG 4.09Å; L355-W701 HydrophobicContact CD1-CZ3 4.38Å; I649-W701 HydrophobicContact CD1-CZ2 3.99Å; L672-W701 HydrophobicContact CB-CE3 4.27Å; L672-W701 HydrophobicContact CB-CH2 3.74Å; L672-W701 HydrophobicContact CB-CZ3 3.62Å; L672-W701 HydrophobicContact CD1-CE3 4.17Å; L672-W701 HydrophobicContact CD1-CZ3 4.36Å; L672-W701 HydrophobicContact CD2-CE3 4.13Å; L672-W701 HydrophobicContact CD2-CZ3 3.98Å; L672-W701 HydrophobicContact CG-CE3 4.43Å; L672-W701 HydrophobicContact CG-CZ3 4.2Å; Q674-W701 HydrophobicContact CB-CH2 3.4Å; Q674-W701 VanDerWaalsContact CB-CH2 3.4Å; Q674-W701 HydrophobicContact CB-CZ2 3.93Å; Q674-W701 HydrophobicContact CB-CZ3 4.05Å; Q674-W701 HydrophobicContact CG-CE3 4.47Å; Q674-W701 HydrophobicContact CG-CH2 3.34Å; Q674-W701 HydrophobicContact CG-CZ2 4.27Å; Q674-W701 HydrophobicContact CG-CZ3 3.45Å; Q674-W701 VanDerWaalsContact CG-CZ3 3.45Å; Q688-W701 CarbonylContact C-O 3.55Å; Q688-W701 WeakPolarHBondContact CA-O 2.95Å; Q688-W701 WeakPolarHBondContact CB-O 3.47Å; I689-W701 HydrophobicContact CB-CB 4.14Å; I689-W701 HydrophobicContact CB-CG 4.19Å; I689-W701 PolarHBondContact N-O 3.48Å; I689-W701 PolarHBondContact O-N 3.08Å; S691-W701 PolarHBondContact OG-NE1 2.88Å; L699-W701 HydrophobicContact CD1-CZ2 3.84Å; W701-F703 HydrophobicContact CB-CE2 4.03Å; W701-F703 HydrophobicContact CB-CZ 4.49Å; W701-F703 WeakPolarHBondContact O-CD2 3.44Å; W701-F703 WeakPolarHBondContact O-CE2 3.28Å
702	D	92.8	Very high	77.1	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.011	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105	-172.8	-166.1	-6.3	0	0	0	110.2	R175 H354 A704 R705	R175-D702 IonicContact CZ-OD1 2.95Å; R175-D702 IonicContact NH1-OD1 2.63Å; R175-D702 PolarHBondContact NH1-OD1 3.18Å; R175-D702 IonicContact NH1-OD2 3.88Å; R175-D702 PolarHBondContact NH1-OD2 2.8Å; H354-D702 HydrophobicContact CB-CB 4.44Å; H354-D702 PolarHBondContact N-O 3.49Å; H354-D702 PolarHBondContact O-N 3.5Å; D702-A704 VanDerWaalsContact C-N 3.31Å; D702-A704 PolarHBondContact OD1-N 2.9Å; D702-R705 IonicContact OD2-CZ 3.37Å; D702-R705 IonicContact OD2-NE 2.99Å; D702-R705 PolarHBondContact OD2-NE 2.76Å; D702-R705 IonicContact OD2-NH2 2.86Å; D702-R705 PolarHBondContact OD2-NH2 2.65Å
703	F	93.3	Very high	74.2	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5	179.9	-61.1	-95.6	0	0	0	112.7	N347 W348 Q352 Y353 L672 F687 I689 W701	N347-F703 HydrophobicContact CB-CB 4.32Å; N347-F703 HydrophobicContact CB-CD1 4.47Å; N347-F703 PolarHBondContact ND2-O 3.18Å; W348-F703 HydrophobicContact CB-CD1 4.46Å; W348-F703 AromaticContact CD1-CG 3.88Å; W348-F703 AromaticContact CD2-CD1 4Å; W348-F703 HydrophobicContact CD2-CD1 4Å; W348-F703 AromaticContact CD2-CD2 3.93Å; W348-F703 HydrophobicContact CD2-CD2 3.93Å; W348-F703 HydrophobicContact CD2-CE1 4.15Å; W348-F703 HydrophobicContact CD2-CE2 4.09Å; W348-F703 AromaticContact CD2-CG 3.89Å; W348-F703 HydrophobicContact CD2-CG 3.89Å; W348-F703 HydrophobicContact CD2-CZ 4.21Å; W348-F703 AromaticContact CE2-CD2 3.5Å; W348-F703 VanDerWaalsContact CE2-CD2 3.5Å; W348-F703 AromaticContact CE2-CE2 3.94Å; W348-F703 AromaticContact CE2-CG 3.73Å; W348-F703 HydrophobicContact CE3-CD1 4.49Å; W348-F703 HydrophobicContact CE3-CD2 4.38Å; W348-F703 HydrophobicContact CE3-CE1 4.19Å; W348-F703 HydrophobicContact CE3-CE2 4.08Å; W348-F703 AromaticContact CE3-CZ 3.98Å; W348-F703 HydrophobicContact CE3-CZ 3.98Å; W348-F703 HydrophobicContact CG-CB 4.3Å; W348-F703 AromaticContact CG-CD1 3.96Å; W348-F703 HydrophobicContact CG-CD1 3.96Å; W348-F703 HydrophobicContact CG-CE1 4.44Å; W348-F703 HydrophobicContact CG-CG 4.01Å; W348-F703 HydrophobicContact CH2-CD2 4.17Å; W348-F703 AromaticContact CH2-CE2 3.87Å; W348-F703 HydrophobicContact CH2-CE2 3.87Å; W348-F703 HydrophobicContact CH2-CZ 4.49Å; W348-F703 AromaticContact CZ2-CD2 3.64Å; W348-F703 HydrophobicContact CZ2-CD2 3.64Å; W348-F703 AromaticContact CZ2-CE2 3.84Å; W348-F703 HydrophobicContact CZ2-CE2 3.84Å; W348-F703 HydrophobicContact CZ2-CG 4.35Å; W348-F703 AromaticContact CZ3-CE2 3.98Å; W348-F703 HydrophobicContact CZ3-CE2 3.98Å; W348-F703 HydrophobicContact CZ3-CZ 4.13Å; W348-F703 AromaticContact NE1-CD2 3.84Å; W348-F703 AromaticContact NE1-CG 3.7Å; Q352-F703 WeakPolarHBondContact O-CD1 3.17Å; Y353-F703 HydrophobicContact CD1-CE1 4.36Å; L672-F703 HydrophobicContact CD1-CZ 4.22Å; F687-F703 WeakPolarHBondContact O-CA 3.43Å; F687-F703 WeakPolarHBondContact O-CB 3.36Å; F687-F703 PolarHBondContact O-N 3.1Å; I689-F703 HydrophobicContact CD1-CE2 3.96Å; I689-F703 HydrophobicContact CD1-CZ 4.17Å; I689-F703 HydrophobicContact CG1-CE2 4.07Å; W701-F703 HydrophobicContact CB-CE2 4.03Å; W701-F703 HydrophobicContact CB-CZ 4.49Å; W701-F703 WeakPolarHBondContact O-CD2 3.44Å; W701-F703 WeakPolarHBondContact O-CE2 3.28Å
704	A	89.4	Confident	71.5	Confident	11 Å²	11	55.8 Å²	55.8	9%	0.091	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-16.1	178.3	0	0	0	0	0	114.3	V344 F687 D702	V344-A704 HydrophobicContact CG2-CB 4.34Å; F687-A704 HydrophobicContact CB-CB 4.16Å; F687-A704 HydrophobicContact CD1-CB 4.1Å; D702-A704 VanDerWaalsContact C-N 3.31Å; D702-A704 PolarHBondContact OD1-N 2.9Å
705	R	79.2	Confident	68.9	Low	78 Å²	78	55.9 Å²	55.9	29%	0.294	31%	0.307	S	S	.	.	S	Bend	trans	-88.4	146.7	172.2	-61.5	-175.3	-148.9	-174.5	5.5	110.2	H354 D702	H354-R705 HydrophobicContact CB-CB 3.88Å; H354-R705 PolarHBondContact CD2-NH1 3.02Å; H354-R705 PolarHBondContact NE2-NH1 3.49Å; D702-R705 IonicContact OD2-CZ 3.37Å; D702-R705 IonicContact OD2-NE 2.99Å; D702-R705 PolarHBondContact OD2-NE 2.76Å; D702-R705 IonicContact OD2-NH2 2.86Å; D702-R705 PolarHBondContact OD2-NH2 2.65Å
706	P	61.6	Low	66.5	Low	57 Å²	57	55.1 Å²	55.1	37%	0.37	31%	0.307	S	S	.	.			trans	-59.9	140	164.1	28	-33.6	0	0	0	109.6	T708	P706-T708 VanDerWaalsContact C-N 3.31Å
707	A	56	Low	64.4	Low	54 Å²	54	54.9 Å²	54.9	45%	0.446	31%	0.305	S	S	.	.	S	Bend	trans	-74.9	-22.2	-179.2	0	0	0	0	0	112.9	Q352	Q352-A707 HydrophobicContact CB-CB 4.46Å
708	T	49.4	Very low	62	Low	95 Å²	95	57.1 Å²	57.1	58%	0.583	32%	0.316	S	S	*	.	S	Bend	trans	-83.4	132.5	174.9	39.9	0	0	0	0	110.9	P706 N710	P706-T708 VanDerWaalsContact C-N 3.31Å; T708-N710 PolarHBondContact O-N 2.71Å
709	G	40.3	Very low	59.5	Low	87 Å²	87	62.7 Å²	62.7	90%	0.897	35%	0.346	S	S	*	.			trans	-71.4	22.2	176.7	0	0	0	0	0	115.2	E711	G709-E711 PolarHBondContact O-N 3.01Å
710	N	28.8	Very low	57	Low	115 Å²	115	62.7 Å²	62.7	62%	0.615	35%	0.346	S	S	*	.			trans	-69	119.1	165.7	-73.9	7.2	0	0	0	107.3	T708 E712	T708-N710 PolarHBondContact O-N 2.71Å; N710-E712 PolarHBondContact O-N 3.47Å
711	E	34.2	Very low	54.8	Low	138 Å²	138	62.9 Å²	62.9	65%	0.645	35%	0.347	S	S	*	.			trans	-65.7	75.1	149.5	-75.8	-170.2	-172.1	0	0	108.1	G709 R713	G709-E711 PolarHBondContact O-N 3.01Å; E711-R713 HydrophobicContact CB-CG 4.16Å; E711-R713 PolarHBondContact O-N 3.42Å; E711-R713 IonicContact OE2-CZ 2.7Å; E711-R713 IonicContact OE2-NE 2.62Å; E711-R713 PolarHBondContact OE2-NE 2.96Å; E711-R713 IonicContact OE2-NH2 2.95Å; E711-R713 PolarHBondContact OE2-NH2 2.97Å
712	E	34.4	Very low	52.3	Low	127 Å²	127	66.6 Å²	66.6	59%	0.593	37%	0.367	S	S	*	.			trans	-58.3	98.3	142.3	-79.6	-175	170.9	0	0	105.6	N710 D714	N710-E712 PolarHBondContact O-N 3.47Å; E712-D714 HydrophobicContact CB-CB 4.48Å; E712-D714 PolarHBondContact O-N 3.29Å
713	R	38.2	Very low	50	Low	194 Å²	194	68.6 Å²	68.6	73%	0.732	38%	0.384	S	S	*	.			trans	-71.3	23.1	166	-62.8	-172	178.5	176.6	1	111.9	E711 D715	E711-R713 HydrophobicContact CB-CG 4.16Å; E711-R713 PolarHBondContact O-N 3.42Å; E711-R713 IonicContact OE2-CZ 2.7Å; E711-R713 IonicContact OE2-NE 2.62Å; E711-R713 PolarHBondContact OE2-NE 2.96Å; E711-R713 IonicContact OE2-NH2 2.95Å; E711-R713 PolarHBondContact OE2-NH2 2.97Å; R713-D715 PolarHBondContact O-N 2.89Å
714	D	39.4	Very low	47.7	Very low	77 Å²	77	68.5 Å²	68.5	41%	0.412	38%	0.384	S	S	.	.			trans	-70	81	154.2	-176.7	36.5	0	0	0	108.2	E712 G716	E712-D714 HydrophobicContact CB-CB 4.48Å; E712-D714 PolarHBondContact O-N 3.29Å; D714-G716 PolarHBondContact O-N 3Å; D714-G716 VanDerWaalsContact O-N 3.16Å; D714-G716 WeakPolarHBondContact OD1-CA 3.37Å; D714-G716 PolarHBondContact OD1-N 3.18Å
715	D	42.6	Very low	45.6	Very low	56 Å²	56	70.9 Å²	70.9	30%	0.299	40%	0.395	S	S	.	.			trans	-73.6	14.9	160.9	79.3	-37.7	0	0	0	111.6	R197 R713 F717	R197-D715 IonicContact CZ-OD2 3.24Å; R197-D715 IonicContact NE-OD2 3.26Å; R197-D715 PolarHBondContact NE-OD2 3Å; R197-D715 PolarHBondContact NH2-O 3.2Å; R197-D715 VanDerWaalsContact NH2-O 3.12Å; R197-D715 IonicContact NH2-OD2 3.19Å; R197-D715 PolarHBondContact NH2-OD2 3.1Å; R713-D715 PolarHBondContact O-N 2.89Å; D715-F717 PolarHBondContact O-N 3.17Å; D715-F717 WeakPolarHBondContact OD1-CB 3.14Å; D715-F717 PolarHBondContact OD1-N 3.27Å; D715-F717 VanDerWaalsContact OD1-N 3.15Å; D715-F717 VanDerWaalsContact OD2-CB 3.29Å; D715-F717 WeakPolarHBondContact OD2-CB 3.32Å
716	G	43.3	Very low	43.6	Very low	16 Å²	16	69.4 Å²	69.4	17%	0.165	40%	0.399	C	S	.	.	S	Bend	trans	79.6	-7	-173.4	0	0	0	0	0	113.3	R336 D714	R336-G716 PolarHBondContact NH1-O 2.92Å; D714-G716 PolarHBondContact O-N 3Å; D714-G716 VanDerWaalsContact O-N 3.16Å; D714-G716 WeakPolarHBondContact OD1-CA 3.37Å; D714-G716 PolarHBondContact OD1-N 3.18Å
717	F	48.4	Very low	42.8	Very low	8 Å²	8	68.6 Å²	68.6	4%	0.035	40%	0.395	C	S	.	.			trans	-101	-50.8	-151.5	-143.1	-128.5	0	0	0	112.2	F181 L194 R197 F329 D715 D719 G720 I721	F181-F717 HydrophobicContact CD2-CE2 4.21Å; F181-F717 AromaticContact CE1-CZ 3.96Å; F181-F717 HydrophobicContact CE1-CZ 3.96Å; F181-F717 AromaticContact CE2-CE2 3.53Å; F181-F717 HydrophobicContact CE2-CE2 3.53Å; F181-F717 AromaticContact CE2-CZ 3.64Å; F181-F717 HydrophobicContact CE2-CZ 3.64Å; F181-F717 HydrophobicContact CZ-CE1 4.38Å; F181-F717 AromaticContact CZ-CE2 3.78Å; F181-F717 HydrophobicContact CZ-CE2 3.78Å; F181-F717 AromaticContact CZ-CZ 3.34Å; F181-F717 HydrophobicContact CZ-CZ 3.34Å; L194-F717 HydrophobicContact CB-CE1 4.24Å; L194-F717 HydrophobicContact CB-CZ 4.23Å; L194-F717 HydrophobicContact CD2-CE1 4.03Å; L194-F717 HydrophobicContact CD2-CE2 3.7Å; L194-F717 HydrophobicContact CD2-CZ 3.25Å; L194-F717 HydrophobicContact CG-CZ 4.3Å; L194-F717 WeakPolarHBondContact O-CE1 3.48Å; R197-F717 HydrophobicContact CB-CE1 3.78Å; R197-F717 HydrophobicContact CB-CZ 4.33Å; R197-F717 HydrophobicContact CG-CD1 4.04Å; R197-F717 HydrophobicContact CG-CE1 3.74Å; R197-F717 HydrophobicContact CG-CZ 4.32Å; F329-F717 HydrophobicContact CE2-CE2 4.34Å; F329-F717 HydrophobicContact CZ-CE2 4.44Å; D715-F717 PolarHBondContact O-N 3.17Å; D715-F717 WeakPolarHBondContact OD1-CB 3.14Å; D715-F717 PolarHBondContact OD1-N 3.27Å; D715-F717 VanDerWaalsContact OD1-N 3.15Å; D715-F717 VanDerWaalsContact OD2-CB 3.29Å; D715-F717 WeakPolarHBondContact OD2-CB 3.32Å; F717-D719 PolarHBondContact O-N 3.16Å; F717-G720 PolarHBondContact O-N 2.97Å; F717-I721 HydrophobicContact CD1-CD1 3.32Å; F717-I721 HydrophobicContact CD1-CG1 4.48Å; F717-I721 HydrophobicContact CD2-CD1 4.4Å; F717-I721 HydrophobicContact CE1-CD1 3.44Å; F717-I721 VanDerWaalsContact CE1-CD1 3.44Å; F717-I721 HydrophobicContact CG-CD1 3.83Å; F717-I721 HydrophobicContact CZ-CD1 4.07Å; F717-I721 WeakPolarHBondContact O-CG1 3.39Å; F717-I721 PolarHBondContact O-N 3.42Å
718	D	45.8	Very low	42.1	Very low	76 Å²	76	71.2 Å²	71.2	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-43.9	-178.3	-95.8	-16.8	0	0	0	112.8	R198 G720 I721 N722	R198-D718 IonicContact CZ-OD1 2.71Å; R198-D718 VanDerWaalsContact CZ-OD1 3.26Å; R198-D718 IonicContact NE-OD1 2.83Å; R198-D718 PolarHBondContact NE-OD1 3.45Å; R198-D718 IonicContact NH2-OD1 2.85Å; R198-D718 PolarHBondContact NH2-OD1 3.25Å; D718-G720 PolarHBondContact O-N 3.05Å; D718-I721 PolarHBondContact O-N 3.03Å; D718-N722 WeakPolarHBondContact O-CA 3.16Å; D718-N722 WeakPolarHBondContact O-CB 3.44Å; D718-N722 PolarHBondContact O-N 2.9Å; D718-N722 PolarHBondContact O-ND2 2.79Å; D718-N722 VanDerWaalsContact O-ND2 3.11Å
719	D	44.3	Very low	41.5	Very low	117 Å²	117	73.6 Å²	73.6	63%	0.626	41%	0.407	S	S	*	.	H	α-helix	trans	-61.4	-27.6	175.6	-103.7	23.9	0	0	0	113.2	R336 F717 A723	R336-D719 VanDerWaalsContact NH2-C 3.27Å; R336-D719 PolarHBondContact NH2-O 2.61Å; F717-D719 PolarHBondContact O-N 3.16Å; D719-A723 VanDerWaalsContact O-CB 3.25Å; D719-A723 WeakPolarHBondContact O-CB 3.46Å; D719-A723 PolarHBondContact O-N 2.79Å
720	G	44.9	Very low	41	Very low	2 Å²	2	74.4 Å²	74.4	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-82.2	-46.2	178	0	0	0	0	0	112.3	R336 F717 D718 A723 A724	R336-G720 VanDerWaalsContact NH2-CA 3.31Å; R336-G720 VanDerWaalsContact NH2-N 3.11Å; F717-G720 PolarHBondContact O-N 2.97Å; D718-G720 PolarHBondContact O-N 3.05Å; G720-A723 PolarHBondContact O-N 3.31Å; G720-A724 WeakPolarHBondContact O-CB 3.32Å; G720-A724 PolarHBondContact O-N 2.87Å
721	I	49	Very low	40.9	Very low	7 Å²	7	73.9 Å²	73.9	4%	0.036	40%	0.395	C	S	.	.	H	α-helix	trans	-69.5	-41.6	179.7	-62.8	172.5	0	0	0	110	L194 F717 D718 A723 A724 L725	L194-I721 HydrophobicContact CB-CD1 3.92Å; L194-I721 HydrophobicContact CD1-CD1 4.36Å; L194-I721 HydrophobicContact CD1-CG1 4.23Å; L194-I721 HydrophobicContact CD2-CD1 4.2Å; L194-I721 HydrophobicContact CG-CD1 4.36Å; F717-I721 HydrophobicContact CD1-CD1 3.32Å; F717-I721 HydrophobicContact CD1-CG1 4.48Å; F717-I721 HydrophobicContact CD2-CD1 4.4Å; F717-I721 HydrophobicContact CE1-CD1 3.44Å; F717-I721 VanDerWaalsContact CE1-CD1 3.44Å; F717-I721 HydrophobicContact CG-CD1 3.83Å; F717-I721 HydrophobicContact CZ-CD1 4.07Å; F717-I721 WeakPolarHBondContact O-CG1 3.39Å; F717-I721 PolarHBondContact O-N 3.42Å; D718-I721 PolarHBondContact O-N 3.03Å; I721-A723 PolarHBondContact O-N 2.92Å; I721-A724 PolarHBondContact O-N 3.4Å; I721-L725 HydrophobicContact CG2-CD1 3.6Å; I721-L725 HydrophobicContact CG2-CG 3.98Å; I721-L725 WeakPolarHBondContact O-CB 3.47Å; I721-L725 VanDerWaalsContact O-CG 3.27Å; I721-L725 WeakPolarHBondContact O-CG 2.92Å; I721-L725 PolarHBondContact O-N 2.71Å
722	N	43.7	Very low	40.7	Very low	79 Å²	79	75 Å²	75	42%	0.422	41%	0.405	S	S	.	.	H	α-helix	trans	-65.7	-37.5	176.2	-65	-26.1	0	0	0	111.4	R198 D718 A726	R198-N722 PolarHBondContact NH2-OD1 3.2Å; D718-N722 WeakPolarHBondContact O-CA 3.16Å; D718-N722 WeakPolarHBondContact O-CB 3.44Å; D718-N722 PolarHBondContact O-N 2.9Å; D718-N722 PolarHBondContact O-ND2 2.79Å; D718-N722 VanDerWaalsContact O-ND2 3.11Å; N722-A726 WeakPolarHBondContact O-CB 3.48Å; N722-A726 PolarHBondContact O-N 2.91Å
723	A	43.3	Very low	40.5	Very low	44 Å²	44	74.3 Å²	74.3	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-39.5	170.8	0	0	0	0	0	112.7	D719 G720 I721 S727	D719-A723 VanDerWaalsContact O-CB 3.25Å; D719-A723 WeakPolarHBondContact O-CB 3.46Å; D719-A723 PolarHBondContact O-N 2.79Å; G720-A723 PolarHBondContact O-N 3.31Å; I721-A723 PolarHBondContact O-N 2.92Å; A723-S727 WeakPolarHBondContact O-CB 3.27Å; A723-S727 PolarHBondContact O-N 2.99Å
724	A	45.2	Very low	40.2	Very low	1 Å²	1	69 Å²	69	1%	0.008	40%	0.404	C	S	.	.	H	α-helix	trans	-68.3	-45.5	177.4	0	0	0	0	0	112.4	F325 G720 I721 S727 Q728	F325-A724 HydrophobicContact CD2-CB 4.28Å; F325-A724 HydrophobicContact CE2-CB 3.76Å; G720-A724 WeakPolarHBondContact O-CB 3.32Å; G720-A724 PolarHBondContact O-N 2.87Å; I721-A724 PolarHBondContact O-N 3.4Å; A724-S727 WeakPolarHBondContact O-CB 3.19Å; A724-S727 PolarHBondContact O-N 3.17Å; A724-S727 PolarHBondContact O-OG 3.27Å; A724-Q728 PolarHBondContact O-N 3.47Å
725	L	44.7	Very low	39.9	Very low	61 Å²	61	72.5 Å²	72.5	32%	0.319	42%	0.422	S	S	.	.	H	α-helix	trans	-70.5	-39.7	177.9	-65.8	176.2	0	0	0	112.1	F325 I721 S727 Q728 N729	F325-L725 HydrophobicContact CE2-CD2 4.38Å; I721-L725 HydrophobicContact CG2-CD1 3.6Å; I721-L725 HydrophobicContact CG2-CG 3.98Å; I721-L725 WeakPolarHBondContact O-CB 3.47Å; I721-L725 VanDerWaalsContact O-CG 3.27Å; I721-L725 WeakPolarHBondContact O-CG 2.92Å; I721-L725 PolarHBondContact O-N 2.71Å; L725-S727 PolarHBondContact O-N 3.46Å; L725-S727 VanDerWaalsContact O-N 3.15Å; L725-Q728 WeakPolarHBondContact O-CB 3.48Å; L725-Q728 PolarHBondContact O-N 2.61Å; L725-N729 PolarHBondContact O-N 2.88Å
726	A	38.9	Very low	39.4	Very low	47 Å²	47	81.4 Å²	81.4	39%	0.388	45%	0.452	S	S	.	.	H	α-helix	trans	-61.5	-22.4	171.2	0	0	0	0	0	112.5	N722 N730	N722-A726 WeakPolarHBondContact O-CB 3.48Å; N722-A726 PolarHBondContact O-N 2.91Å; A726-N730 PolarHBondContact O-N 2.84Å; A726-N730 PolarHBondContact O-ND2 3.49Å
727	S	42.9	Very low	38.9	Very low	39 Å²	39	86.1 Å²	86.1	27%	0.273	48%	0.482	S	S	.	.	H	α-helix	trans	-86.1	0.9	173	83.5	0	0	0	0	114.9	R328 A723 A724 L725	R328-S727 VanDerWaalsContact NH1-CB 3.32Å; R328-S727 PolarHBondContact NH1-O 3.14Å; R328-S727 PolarHBondContact NH1-OG 3.5Å; A723-S727 WeakPolarHBondContact O-CB 3.27Å; A723-S727 PolarHBondContact O-N 2.99Å; A724-S727 WeakPolarHBondContact O-CB 3.19Å; A724-S727 PolarHBondContact O-N 3.17Å; A724-S727 PolarHBondContact O-OG 3.27Å; L725-S727 PolarHBondContact O-N 3.46Å; L725-S727 VanDerWaalsContact O-N 3.15Å
728	Q	42.8	Very low	38.1	Very low	109 Å²	109	90.1 Å²	90.1	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-93.4	-36.9	163.4	-68.6	179.2	-35.2	0	0	111.4	A724 L725	A724-Q728 PolarHBondContact O-N 3.47Å; L725-Q728 WeakPolarHBondContact O-CB 3.48Å; L725-Q728 PolarHBondContact O-N 2.61Å
729	N	35.6	Very low	37.4	Very low	146 Å²	146	91.1 Å²	91.1	78%	0.781	54%	0.536	S	S	*	.	H	α-helix	trans	-85.5	-5.4	-176.2	-71.4	-12	0	0	0	115.4	L725	L725-N729 PolarHBondContact O-N 2.88Å
730	N	29.8	Very low	36.7	Very low	104 Å²	104	91.5 Å²	91.5	56%	0.556	54%	0.542	S	S	*	.	S	Bend	trans	-103.6	117.8	178.6	-85.8	-72.6	0	0	0	112.5	A726	A726-N730 PolarHBondContact O-N 2.84Å; A726-N730 PolarHBondContact O-ND2 3.49Å
731	C	26.7	Very low	35.9	Very low	103 Å²	103	99.5 Å²	99.5	70%	0.696	58%	0.579	S	S	*	*			trans	-59	146.1	170.2	-172.2	0	0	0	0	111.2	C733	C731-C733 PolarHBondContact O-N 2.86Å
732	L	31.1	Very low	34.8	Very low	163 Å²	163	105.3 Å²	105.3	85%	0.853	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	24.6	-164.4	-81.2	162.3	0	0	0	116.7
733	C	30.7	Very low	34.1	Very low	112 Å²	112	109.9 Å²	109.9	76%	0.757	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-21	-168.7	-58.1	0	0	0	0	115.3	C731	C731-C733 PolarHBondContact O-N 2.86Å
734	S	31.3	Very low	33.6	Very low	81 Å²	81	114.3 Å²	114.3	57%	0.566	66%	0.66	S	S	*	*	S	Bend	trans	-99.6	-21.3	-168.4	54.8	0	0	0	0	115.7	R736	S734-R736 VanDerWaalsContact C-N 3.27Å; S734-R736 PolarHBondContact O-N 2.94Å
735	L	32.5	Very low	32.8	Very low	151 Å²	151	123.2 Å²	123.2	79%	0.791	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	63	-174.4	-77.4	164	0	0	0	113.4
736	R	32.2	Very low	32.3	Very low	244 Å²	244	125.4 Å²	125.4	92%	0.921	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	-2.5	169.2	-82	-171.9	169.9	-172.5	-3.2	115.3	S734	S734-R736 VanDerWaalsContact C-N 3.27Å; S734-R736 PolarHBondContact O-N 2.94Å
737	S	33.6	Very low	31.8	Very low	114 Å²	114	130.5 Å²	130.5	80%	0.797	74%	0.742	S	S	*	*	S	Bend	trans	-105.5	-6.2	-173.7	-163.7	0	0	0	0	116
738	A	30.9	Very low	31.4	Very low	93 Å²	93	135.6 Å²	135.6	77%	0.769	77%	0.766	S	S	*	*	S	Bend	trans	-108.8	17.3	-169.5	0	0	0	0	0	114.6
739	A	30.8	Very low	31.1	Very low	97 Å²	97	137.1 Å²	137.1	80%	0.802	78%	0.776	S	S	*	*			trans	-113.8	48.5	-172.1	0	0	0	0	0	112.9
740	V	30.2	Very low	30.9	Very low	125 Å²	125	137 Å²	137	76%	0.758	78%	0.776	S	S	*	*			trans	-139.3	154.3	177.2	-170.9	0	0	0	0	108.8
741	Q	27.1	Very low	31.1	Very low	169 Å²	169	139.2 Å²	139.2	79%	0.79	79%	0.793	S	S	*	*			trans	68.5	58	176.2	-77.4	167	-34.4	0	0	117.5
742	C	26.9	Very low	31.2	Very low	129 Å²	129	138.2 Å²	138.2	87%	0.872	80%	0.801	S	S	*	*			trans	-120	79.6	136	-76.8	0	0	0	0	109.4	V744	C742-V744 PolarHBondContact O-N 3.2Å
743	Q	29.1	Very low	31.3	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.822	80%	0.802	S	S	*	*			trans	-74.3	111.9	168.7	-84.1	-177.9	-61.5	0	0	109.3	Q745	Q743-Q745 PolarHBondContact O-N 3.07Å
744	V	32	Very low	31.2	Very low	136 Å²	136	132.9 Å²	132.9	82%	0.824	80%	0.804	S	S	*	*			trans	-68.3	109.7	163.1	178.2	0	0	0	0	107.3	C742 S746	C742-V744 PolarHBondContact O-N 3.2Å; V744-S746 PolarHBondContact O-N 2.74Å
745	Q	28.6	Very low	31.1	Very low	189 Å²	189	135.8 Å²	135.8	88%	0.883	82%	0.823	S	S	*	*			trans	-77.2	117.9	168	-75.4	-175.9	-30.7	0	0	109	Q743	Q743-Q745 PolarHBondContact O-N 3.07Å
746	S	34.6	Very low	31	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	82%	0.824	S	S	*	*			trans	-115	124.5	165.4	58	0	0	0	0	108.2	V744	V744-S746 PolarHBondContact O-N 2.74Å
747	D	29.3	Very low	31.2	Very low	155 Å²	155	128.6 Å²	128.6	83%	0.829	82%	0.822	S	S	*	*			trans	-60	141.5	-176.5	-58.3	-77.7	0	0	0	113.2
748	N	34	Very low	31	Very low	145 Å²	145	128.5 Å²	128.5	78%	0.775	82%	0.822	S	S	*	*			trans	-167	106.7	138.4	-102.3	-46	0	0	0	114.1
749	I	37.1	Very low	31.2	Very low	141 Å²	141	130.1 Å²	130.1	72%	0.723	83%	0.827	S	S	*	*			trans	50.8	109.3	130.7	-55.5	175.8	0	0	0	119.3
750	N	29.9	Very low	31.4	Very low	144 Å²	144	134.6 Å²	134.6	77%	0.77	83%	0.831	S	S	*	*			trans	34.5	126.4	141.5	-61.1	-21.4	0	0	0	121.4
751	T	34.1	Very low	31.7	Very low	150 Å²	150	133.8 Å²	133.8	92%	0.92	83%	0.829	S	S	*	*				-161.8	146.2	105.4	10.9	0	0	0	0	112.9
752	G	30.2	Very low	32	Very low	83 Å²	83	132.9 Å²	132.9	86%	0.856	84%	0.835	S	S	*	*			trans	-76.9	176.3	-163.1	0	0	0	0	0	119.1
753	G	31.6	Very low	32.2	Very low	86 Å²	86	133 Å²	133	89%	0.887	83%	0.832	S	S	*	*			trans	112.8	112.2	179.3	0	0	0	0	0	112.2
754	G	28.3	Very low	32.4	Very low	77 Å²	77	130.9 Å²	130.9	79%	0.794	83%	0.831	S	S	*	*			cis	116.8	82.6	-4.1	0	0	0	0	0	114
755	C	30.5	Very low	32.5	Very low	141 Å²	141	129.8 Å²	129.8	95%	0.953	83%	0.825	S	S	*	*			trans	-159.5	153.3	151.9	-103.7	0	0	0	0	110.1
756	S	30.1	Very low	33	Very low	116 Å²	116	127 Å²	127	81%	0.811	82%	0.816	S	S	*	*			trans	-121.6	154.4	-169.4	51.5	0	0	0	0	112.5
757	S	35.5	Very low	33.2	Very low	128 Å²	128	127.9 Å²	127.9	90%	0.895	81%	0.812	S	S	*	*			trans	-171.6	161.7	140.8	23.5	0	0	0	0	110.2
758	S	30.8	Very low	33.7	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	81%	0.806	S	S	*	*			trans	-123.8	158.5	-168.2	52.4	0	0	0	0	112.4
759	S	35.2	Very low	34	Very low	126 Å²	126	125.5 Å²	125.5	88%	0.881	80%	0.8	S	S	*	*			trans	-176.6	159.4	136.2	29.1	0	0	0	0	111.5
760	H	33.7	Very low	34	Very low	191 Å²	191	125.5 Å²	125.5	88%	0.884	80%	0.801	S	S	*	*			trans	-103.3	166	-176.9	-100.7	-63.8	0	0	0	112.3
761	P	36.4	Very low	34.4	Very low	109 Å²	109	124.2 Å²	124.2	71%	0.708	80%	0.799	S	S	*	*			trans	-97	169.6	-167.5	39.1	-37.6	0	0	0	115.2
762	T	33.8	Very low	34.6	Very low	149 Å²	149	122.5 Å²	122.5	91%	0.914	79%	0.788	S	S	*	*			trans	-142.8	165.5	164	36	0	0	0	0	111.8
763	T	30.5	Very low	34.9	Very low	131 Å²	131	124.9 Å²	124.9	80%	0.804	78%	0.781	S	S	*	*			trans	-116.9	149.5	-162.9	50.4	0	0	0	0	114.8
764	T	34.7	Very low	35.3	Very low	133 Å²	133	126.1 Å²	126.1	82%	0.816	77%	0.768	S	S	*	*			trans	-162.8	112.6	147.9	13.8	0	0	0	0	115.7
765	T	34.7	Very low	35.8	Very low	112 Å²	112	128 Å²	128	69%	0.687	76%	0.76	S	S	*	*			trans	28.6	128.8	132.9	58.6	0	0	0	0	123.5
766	N	38.1	Very low	36	Very low	130 Å²	130	128.1 Å²	128.1	70%	0.695	75%	0.751	S	S	*	*				174.4	141.4	97.4	-100.9	-15	0	0	0	116.7
767	N	38.8	Very low	36.1	Very low	125 Å²	125	130.3 Å²	130.3	67%	0.668	75%	0.752	S	S	*	*			trans	63.4	146.5	143.8	-60.2	0.3	0	0	0	121
768	N	40.1	Very low	35.8	Very low	128 Å²	128	128.6 Å²	128.6	68%	0.684	75%	0.746	S	S	*	*			cis	-162.3	166.1	-3	-116.9	3.9	0	0	0	114
769	N	39.4	Very low	36.2	Very low	123 Å²	123	128.9 Å²	128.9	66%	0.658	75%	0.745	S	S	*	*			trans	71.3	109.5	161.1	-59.2	-6.2	0	0	0	118
770	N	38.4	Very low	35.9	Very low	141 Å²	141	129.1 Å²	129.1	75%	0.754	74%	0.741	S	S	*	*				93.1	134.9	79.6	-72.4	-1.7	0	0	0	112.6
771	T	37.4	Very low	35.7	Very low	116 Å²	116	124.1 Å²	124.1	71%	0.712	73%	0.733	S	S	*	*			cis	-157.6	148.8	6.9	2.2	0	0	0	0	111.3
772	T	38	Very low	35.6	Very low	115 Å²	115	126.6 Å²	126.6	71%	0.706	74%	0.739	S	S	*	*			trans	18.4	138.7	146.5	58.7	0	0	0	0	120
773	D	38	Very low	35.4	Very low	132 Å²	132	126.1 Å²	126.1	71%	0.706	73%	0.731	S	S	*	*			cis	-175.3	168.4	15	-119.2	32.9	0	0	0	108.8
774	N	38.1	Very low	35.5	Very low	113 Å²	113	125.9 Å²	125.9	60%	0.604	72%	0.724	S	S	*	*			cis	-163.7	-174	-15	-146.3	-34.5	0	0	0	109.9
775	N	38.9	Very low	35.6	Very low	116 Å²	116	127.6 Å²	127.6	62%	0.62	72%	0.72	S	S	*	*			trans	38.4	118.7	154.2	-62.2	-33.6	0	0	0	119.6
776	N	36.1	Very low	35.6	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	73%	0.728	S	S	*	*			cis	-147.6	114	35.1	-90.1	-42.7	0	0	0	114.3
777	L	32.6	Very low	35.4	Very low	162 Å²	162	126.9 Å²	126.9	85%	0.848	73%	0.729	S	S	*	*			trans	29	134	142.6	-70.2	163.2	0	0	0	122.9
778	A	27.9	Very low	35.2	Very low	92 Å²	92	127.4 Å²	127.4	76%	0.76	74%	0.736	S	S	*	*			trans	-122.8	-145.2	160.8	0	0	0	0	0	109.8
779	P	39.7	Very low	35.1	Very low	119 Å²	119	127.3 Å²	127.3	77%	0.773	74%	0.74	S	S	*	*			trans	-120.5	-164.2	-137.2	30.1	-6	0	0	0	115.7
780	V	29.2	Very low	35	Very low	131 Å²	131	125.6 Å²	125.6	79%	0.794	74%	0.743	S	S	*	*			trans	105.5	98	156.4	-173	0	0	0	0	119.1
781	A	29.2	Very low	34.9	Very low	87 Å²	87	124.1 Å²	124.1	72%	0.719	74%	0.744	S	S	*	*			trans	67.1	169.6	131.3	0	0	0	0	0	124.6
782	I	33.6	Very low	34.8	Very low	161 Å²	161	124.3 Å²	124.3	83%	0.826	75%	0.745	S	S	*	*			trans	97.1	135.8	166.7	-54.4	-179.4	0	0	0	117.3
783	D	29.7	Very low	34.5	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	74%	0.743	S	S	*	*			trans	-69.3	159.2	-165.4	-52.5	-86.5	0	0	0	116.8
784	N	34	Very low	34.2	Very low	126 Å²	126	122.7 Å²	122.7	67%	0.674	74%	0.743	S	S	*	*				-172.7	135.7	109.8	-106.8	-92.5	0	0	0	114.9
785	K	35.9	Very low	34	Very low	168 Å²	168	123.1 Å²	123.1	73%	0.73	75%	0.75	S	S	*	*			trans	76.5	122.6	140.3	-77.2	166.2	-176.6	165.7	0	124.2
786	N	34.4	Very low	33.7	Very low	160 Å²	160	122.7 Å²	122.7	86%	0.856	75%	0.752	S	S	*	*			trans	100.1	132.9	135.3	-62.1	-8.1	0	0	0	121.1
787	G	33.3	Very low	33.6	Very low	68 Å²	68	122.6 Å²	122.6	70%	0.701	75%	0.75	S	S	*	*			trans	107.6	92.1	177.4	0	0	0	0	0	112.9
788	V	36.2	Very low	33.7	Very low	136 Å²	136	120.3 Å²	120.3	82%	0.824	74%	0.743	S	S	*	*				65.9	118.4	54.4	-170.1	0	0	0	0	110.6
789	T	36.6	Very low	34.1	Very low	126 Å²	126	122.8 Å²	122.8	77%	0.773	74%	0.744	S	S	*	*			cis	-148.7	148.8	28.5	-15.7	0	0	0	0	114.5
790	A	37.2	Very low	33.9	Very low	87 Å²	87	121.3 Å²	121.3	72%	0.719	74%	0.741	S	S	*	*			trans	51.4	152.4	134.3	0	0	0	0	0	122.6
791	S	36.9	Very low	34.2	Very low	110 Å²	110	123 Å²	123	77%	0.769	75%	0.746	S	S	*	*			cis	-179.2	178.7	-9.6	53.3	0	0	0	0	108.3
792	V	35.3	Very low	34.4	Very low	120 Å²	120	124.5 Å²	124.5	73%	0.727	75%	0.746	S	S	*	*			cis	-154.9	127.5	-47.3	141	0	0	0	0	105.9
793	S	31.8	Very low	34.5	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	75%	0.749	S	S	*	*				56.9	148.1	84.6	-6.4	0	0	0	0	115.6
794	T	31.9	Very low	34.6	Very low	116 Å²	116	122.8 Å²	122.8	71%	0.712	75%	0.749	S	S	*	*			cis	-167.4	152.6	-17	-4.3	0	0	0	0	110.5
795	T	33.2	Very low	34.7	Very low	122 Å²	122	124.2 Å²	124.2	75%	0.748	76%	0.755	S	S	*	*			trans	57.3	171	153.2	48.9	0	0	0	0	119.1
796	T	33.6	Very low	34.3	Very low	108 Å²	108	121.7 Å²	121.7	66%	0.663	75%	0.754	S	S	*	*			cis	-160.8	143.3	24.1	-17.6	0	0	0	0	113.2
797	I	33.3	Very low	34.2	Very low	141 Å²	141	119.2 Å²	119.2	72%	0.723	74%	0.744	S	S	*	*			trans	34.7	127.9	133.9	-58.8	174.7	0	0	0	118.3
798	T	34.5	Very low	34.2	Very low	113 Å²	113	122.2 Å²	122.2	69%	0.693	75%	0.749	S	S	*	*				-169.5	157.4	64.2	-19.8	0	0	0	0	115.1
799	N	36.4	Very low	33.9	Very low	145 Å²	145	121.9 Å²	121.9	78%	0.775	75%	0.747	S	S	*	*			trans	50.5	105.3	146.3	-69.5	-1.6	0	0	0	124.8
800	A	35.5	Very low	33.9	Very low	88 Å²	88	121.6 Å²	121.6	73%	0.727	75%	0.748	S	S	*	*				38.5	128	116.5	0	0	0	0	0	123.1
801	N	35.6	Very low	33.6	Very low	165 Å²	165	123.4 Å²	123.4	88%	0.882	75%	0.75	S	S	*	*				-161.3	165.1	107.5	-109.3	-26.1	0	0	0	114.1
802	T	33.6	Very low	33.7	Very low	120 Å²	120	123.3 Å²	123.3	74%	0.736	75%	0.747	S	S	*	*			trans	-96.5	144.9	-167.5	-34.5	0	0	0	0	113.7
803	T	35.8	Very low	33.6	Very low	144 Å²	144	123.7 Å²	123.7	88%	0.883	75%	0.75	S	S	*	*				-168.4	158.7	129.8	10.3	0	0	0	0	113.2
804	T	31.3	Very low	33.5	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	76%	0.756	S	S	*	*			trans	-103.7	160.4	-177.9	45.6	0	0	0	0	112.2
805	I	35.8	Very low	33.5	Very low	157 Å²	157	126.9 Å²	126.9	81%	0.805	76%	0.763	S	S	*	*				-178	167.5	121.8	-92.8	158.4	0	0	0	110.9
806	T	29.1	Very low	33.5	Very low	115 Å²	115	124.2 Å²	124.2	71%	0.706	76%	0.759	S	S	*	*			trans	-71.1	-176.8	-167.8	56	0	0	0	0	114.1
807	T	31.7	Very low	33.4	Very low	108 Å²	108	126 Å²	126	66%	0.663	77%	0.765	S	S	*	*			cis	-170.2	161.1	34.7	-21.3	0	0	0	0	114.4
808	T	33	Very low	33.5	Very low	131 Å²	131	125.5 Å²	125.5	80%	0.804	76%	0.764	S	S	*	*			trans	66.3	126.3	149.2	41.6	0	0	0	0	124.5
809	T	30.8	Very low	33.3	Very low	128 Å²	128	126 Å²	126	79%	0.785	76%	0.762	S	S	*	*			trans	-70.8	173.2	151.5	47.5	0	0	0	0	112.4
810	P	36.4	Very low	33.2	Very low	120 Å²	120	127.1 Å²	127.1	78%	0.779	76%	0.76	S	S	*	*			cis	-151.3	-163.2	33.3	44.9	-21.4	0	0	0	119.1
811	T	30.6	Very low	33.2	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	76%	0.759	S	S	*	*			trans	-74.2	-172.9	178.1	50.8	0	0	0	0	116.1
812	P	38.7	Very low	33.3	Very low	108 Å²	108	128 Å²	128	70%	0.701	75%	0.752	S	S	*	*			cis	-140.2	173.6	-45.6	38.3	-21.6	0	0	0	115
813	T	32.4	Very low	33.7	Very low	128 Å²	128	126.8 Å²	126.8	79%	0.785	75%	0.747	S	S	*	*			trans	-176.3	141.4	148	24	0	0	0	0	109.3
814	I	30.3	Very low	33.7	Very low	158 Å²	158	126.7 Å²	126.7	81%	0.81	74%	0.741	S	S	*	*				49.4	115.7	75.2	-51.1	176.1	0	0	0	111.5
815	S	32.2	Very low	34	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	74%	0.744	S	S	*	*			cis	-155.1	-176.9	14.3	48.1	0	0	0	0	108.1
816	G	32.4	Very low	34	Very low	65 Å²	65	125.7 Å²	125.7	67%	0.67	74%	0.741	S	S	*	*			cis	163.6	167	-1.8	0	0	0	0	0	110.8
817	N	32.1	Very low	34.3	Very low	146 Å²	146	127 Å²	127	78%	0.781	74%	0.742	S	S	*	*			trans	69.9	128.3	169.2	-71.2	2.1	0	0	0	121.4
818	N	34.4	Very low	34.5	Very low	131 Å²	131	128 Å²	128	70%	0.701	74%	0.742	S	S	*	*			trans	71.6	142	141.2	-57.7	-5	0	0	0	119.4
819	N	31.3	Very low	34.6	Very low	122 Å²	122	128.3 Å²	128.3	65%	0.652	74%	0.739	S	S	*	*			cis	-164.3	177.3	-13.7	-118.1	-15.4	0	0	0	111.8
820	F	33.9	Very low	34.7	Very low	170 Å²	170	126.4 Å²	126.4	75%	0.746	73%	0.731	S	S	*	*			trans	84.9	119.6	157.9	-65.2	-63.7	0	0	0	121.6
821	N	35.9	Very low	34.7	Very low	130 Å²	130	126.1 Å²	126.1	70%	0.695	73%	0.731	S	S	*	*				73.3	140.2	127.6	-67.5	-2.8	0	0	0	121.2
822	N	37.5	Very low	34.7	Very low	140 Å²	140	129.6 Å²	129.6	75%	0.749	74%	0.736	S	S	*	*			cis	-154.9	-164.1	-19.7	-139.5	-2.1	0	0	0	109.8
823	P	42.5	Very low	34.5	Very low	95 Å²	95	129.7 Å²	129.7	62%	0.617	74%	0.739	S	S	*	*			trans	-122.8	-169.2	-137.6	41.3	-20.5	0	0	0	114.4
824	N	36	Very low	34.5	Very low	142 Å²	142	128.4 Å²	128.4	76%	0.759	74%	0.735	S	S	*	*			trans	-170.3	128.6	140.2	-99.4	-31.8	0	0	0	112.2
825	N	37.1	Very low	34.6	Very low	151 Å²	151	129.9 Å²	129.9	81%	0.807	74%	0.736	S	S	*	*			trans	58.4	152.5	158.5	-57.8	-20.7	0	0	0	118.3
826	S	35.7	Very low	34.6	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	73%	0.733	S	S	*	*			cis	-174	169.9	-22	68.5	0	0	0	0	106.3
827	I	35.4	Very low	34.6	Very low	141 Å²	141	132.7 Å²	132.7	72%	0.723	73%	0.733	S	S	*	*			cis	-161.9	161.6	3.2	-143.5	169.2	0	0	0	109.7
828	I	35.6	Very low	34.6	Very low	130 Å²	130	130.3 Å²	130.3	67%	0.667	73%	0.727	S	S	*	*			trans	29.3	133.1	151.3	-67.7	160.9	0	0	0	119.6
829	N	35.3	Very low	34.6	Very low	138 Å²	138	129.8 Å²	129.8	74%	0.738	73%	0.729	S	S	*	*			cis	-173.1	175.2	-1	-104.8	-1.3	0	0	0	109
830	S	33.4	Very low	34.7	Very low	87 Å²	87	130.3 Å²	130.3	61%	0.608	73%	0.732	S	S	*	*			cis	-171.7	-14.8	-34.3	60	0	0	0	0	116.8	K832	S830-K832 WeakPolarHBondContact O-CG 3.49Å
831	S	35.8	Very low	34.8	Very low	114 Å²	114	130 Å²	130	80%	0.797	74%	0.738	S	S	*	*			trans	-102	129.2	-167.1	51.8	0	0	0	0	115.2
832	K	31.3	Very low	34.5	Very low	199 Å²	199	134.8 Å²	134.8	87%	0.865	75%	0.746	S	S	*	*			cis	104.7	95.2	16	-79.2	-170.9	171.6	-174.9	0	117.1	S830	S830-K832 WeakPolarHBondContact O-CG 3.49Å
833	S	35	Very low	34.5	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	75%	0.753	S	S	*	*			trans	-177.2	116.4	136.7	51.8	0	0	0	0	108.7
834	S	31.3	Very low	34.6	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	78%	0.782	S	S	*	*			cis	87.1	105.4	41.6	75.1	0	0	0	0	114.9
835	F	33.3	Very low	34.6	Very low	189 Å²	189	145 Å²	145	83%	0.829	78%	0.784	S	S	*	*			trans	169.2	112.9	148.2	-89.3	-70.3	0	0	0	105.4
836	I	31.4	Very low	34.4	Very low	150 Å²	150	144.6 Å²	144.6	77%	0.769	78%	0.782	S	S	*	*				64.4	122	77.1	-63.6	169	0	0	0	110
837	S	32.4	Very low	34.4	Very low	96 Å²	96	146.8 Å²	146.8	67%	0.671	79%	0.785	S	S	*	*			cis	-159.6	173.8	29.3	54.4	0	0	0	0	114.8
838	S	32	Very low	34.3	Very low	95 Å²	95	147.2 Å²	147.2	66%	0.664	79%	0.789	S	S	*	*			trans	42.1	139.8	138.6	65	0	0	0	0	122.3
839	T	35.4	Very low	34.2	Very low	120 Å²	120	148.3 Å²	148.3	74%	0.736	80%	0.796	S	S	*	*			cis	-167.9	156.5	2.8	9.4	0	0	0	0	111.7
840	N	32.9	Very low	34.2	Very low	133 Å²	133	148.9 Å²	148.9	71%	0.711	80%	0.8	S	S	*	*			trans	20.3	121.9	146.8	-54.8	-15.4	0	0	0	120.4
841	N	34.9	Very low	34.2	Very low	165 Å²	165	153.4 Å²	153.4	88%	0.882	81%	0.814	S	S	*	*				-167.7	169.5	85.9	-106.6	-46.2	0	0	0	114.7
842	R	30.1	Very low	34.1	Very low	230 Å²	230	156.4 Å²	156.4	87%	0.868	82%	0.815	S	S	*	*			trans	-110.8	170.7	-179.8	-88.6	-176.7	172.4	177.5	-2.4	112.2
843	K	38.6	Very low	34.3	Very low	203 Å²	203	152.8 Å²	152.8	88%	0.883	81%	0.811	S	S	*	*			trans	92	136.9	173.5	-55.2	172.6	-179.8	179.7	0	112.9
844	I	44.5	Very low	34.3	Very low	242 Å²	242	156.7 Å²	156.7	100%	1.241	82%	0.815	S	S	*	*			cis	-97.9	0	-0.2	-67.3	174	0	0	0	110.1

Retrieved 844 of 844 residues in 233 ms (Link to these results)

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