A0A087Y3W9_POEFO Loading...

Diacylglycerol kinase

AlphaFold DB , UniProt , Accession A0A087Y3W9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,144 aa.

						>A0A087Y3W9_POEFO|A0A087Y3W9
MDTFFRRHFRRKEASLEADPAAAACRQRRPSVAIPTSKARRRSSVGLPSSGLTQRRRSTVQPPAPKRKHGRRRSSTTTPSLNPRFAVCRKKVGKLRTIDTHLLGPSMLLASLIQMAEEDEEGEGGGLGAGLPAGEQQVESRPLIRAPRCLRRNSSQVFAGDLSPFVCYRGSSQRKRRKISTVSKAGSPWPGRGHLLPSRKNSVYYLNHPAFYRGPGPLSPLGPHSYDSRLESLSAFLLKAIAKSGLQNAATQSNASGQTDSQQPNSTIDWSENAQYGEHIWFEASVSGDFCYVGEQFCVAKSLQKSVPRMKCAGCKISVHVMCMEQLEKINFRCKPSFREPVSRAVREANVVRHHWVHRRRQTGKCRQCGKGFQQKFTFHSKEIVAISCSWCKQAYHNKVTCFMLQQIEECCSLGAHAAVIIPPTWIIRVRKPQTSLKSSKKKKRTSLKCNKSTKKGAELQDGRWKPFLVKPLPSQLMKPLLVFVNPKSGGNQGAKIIQSFMWYLNPRQVFDLTKGGPREGLEMYSKVPNLRILACGGDGTVGWILSVLDQLKLRPQPPVAILPLGTGNDLARTLNWGGGYTDEPITKILSHVEDGNVVQLDRWNLNVEPNTEARPEERDEQQTDKLPIDVFNNYFSLGFDAHVTLGFHESREANPEKFNSRFRNKMFYAGTAFSDFLSGSSKDLAKHIRVVCDGTDLTAKVQEMKLQCLLFLNIPRYCAGTTPWGNPSESQDFEPQRHDDGCIEVIGFTMTSLATLQVGGHGERLHQCKEVTLTTFKSIPMQVDGEPCKLAPSIIRINLRNQANMVQKAKRRISMPHLNDQQPVPEKLQIRVNRISMAAYEALHYDKDQLKEASTPLGVIVVPGDSDLEMCRLHIERLQDNPDQEVEQDGDEMKGESLSSQKLSINWCFLDCTTADRFYRIDRAQEHLNYVTEISQDELYILDPELVAKETVGTSPSMPDQFSFPCSPSSPTSPRPAVRLCVLDVATRWRCSFGFQAFICFCFLDAELISCIKNENLSRLTELHQQGAELALQDADGRSLLHHAVQTGSKDIVKYLIENVPASHLDLAETETGETALHKAAALCQRSICHFLVEAGASLMKTDLQGDTPKHRAAKADDQELANYLENCQHYQMIQREDQETAV
					

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Loading PAE data...

(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	39.9	Very low	34.1	Very low	232 Å²	232	197.5 Å²	197.5	100%	1.143	86%	0.863	S	S	*	*				0	89.8	0	-67.8	176	-179.7	0	0	108.8
2	D	32.3	Very low	33.6	Very low	135 Å²	135	197.4 Å²	197.4	72%	0.722	86%	0.862	S	S	*	*			trans	-130.3	-5	-170.3	-103.1	-67.3	0	0	0	116.1
3	T	34.3	Very low	33.1	Very low	137 Å²	137	196.2 Å²	196.2	84%	0.84	86%	0.861	S	S	*	*	S	Bend	trans	-93	-15	-173.8	43.4	0	0	0	0	114.1
4	F	33.3	Very low	32.9	Very low	185 Å²	185	189 Å²	189	81%	0.811	86%	0.856	S	S	*	*	S	Bend	trans	-83.5	-44.5	-177.1	-155.8	-100.8	0	0	0	113.1	R6	F4-R6 VanDerWaalsContact C-N 3.26Å; F4-R6 PolarHBondContact O-N 3.26Å
5	F	34	Very low	32.5	Very low	190 Å²	190	184.1 Å²	184.1	83%	0.833	85%	0.852	S	S	*	*	G	3₁₀ helix	trans	-66.2	-20.7	-175.2	-90.5	-81.8	0	0	0	114.8	R7	F5-R7 VanDerWaalsContact C-N 3.27Å; F5-R7 PolarHBondContact O-N 3.24Å
6	R	32.5	Very low	32.2	Very low	224 Å²	224	183.3 Å²	183.3	85%	0.845	86%	0.855	S	S	*	*	G	3₁₀ helix	trans	-72.5	-7	-176.7	-79.2	-169.2	177.8	-164.7	0.7	115.6	F4	F4-R6 VanDerWaalsContact C-N 3.26Å; F4-R6 PolarHBondContact O-N 3.26Å
7	R	34.1	Very low	32	Very low	231 Å²	231	183.5 Å²	183.5	87%	0.872	86%	0.856	S	S	*	*	G	3₁₀ helix	trans	-103	-15.2	-168.3	-131.2	172.7	-171.5	158	2.5	117.3	F5	F5-R7 VanDerWaalsContact C-N 3.27Å; F5-R7 PolarHBondContact O-N 3.24Å
8	H	38.1	Very low	31.8	Very low	162 Å²	162	179.1 Å²	179.1	75%	0.75	86%	0.857	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-17.6	-170.8	-99.5	-76.1	0	0	0	118.1
9	F	37.3	Very low	31.5	Very low	201 Å²	201	177.8 Å²	177.8	88%	0.882	86%	0.855	S	S	*	*			trans	-132.6	74.9	-176.9	-68.5	-73.3	0	0	0	113.9
10	R	29.3	Very low	32.5	Very low	243 Å²	243	174.4 Å²	174.4	92%	0.917	85%	0.848	S	S	*	*			trans	-94.3	108.6	160	-98.4	-175.6	168.1	179.5	-3.8	109.9
11	R	30.2	Very low	32.2	Very low	232 Å²	232	170.6 Å²	170.6	88%	0.875	85%	0.845	S	S	*	*			trans	-64.9	147.1	152.8	-82.4	-174.7	174.7	174.9	-0.9	108.6
12	K	28.3	Very low	31.5	Very low	197 Å²	197	164.2 Å²	164.2	86%	0.857	83%	0.829	S	S	*	*			trans	-136	105.7	170.3	-169.3	-177.6	-176.9	-172.3	0	108.1
13	E	27.3	Very low	31.2	Very low	182 Å²	182	162.4 Å²	162.4	85%	0.85	83%	0.833	S	S	*	*			trans	-86.1	141	167.5	-69.7	176.7	155.2	0	0	109
14	A	29.1	Very low	30.8	Very low	95 Å²	95	160.1 Å²	160.1	79%	0.785	83%	0.828	S	S	*	*			trans	-154.7	120.2	166.6	0	0	0	0	0	107.4
15	S	27.1	Very low	30.5	Very low	115 Å²	115	156.5 Å²	156.5	80%	0.804	82%	0.824	S	S	*	*			trans	-82.9	145.1	179.2	51	0	0	0	0	112
16	L	28.4	Very low	30.2	Very low	172 Å²	172	157.2 Å²	157.2	90%	0.901	82%	0.822	S	S	*	*			trans	-162.1	168.5	146.2	-106.3	165.6	0	0	0	109.3
17	E	29.3	Very low	29.9	Very low	186 Å²	186	153.1 Å²	153.1	87%	0.869	81%	0.812	S	S	*	*			trans	-88.9	175.3	-157.2	-56.1	-176.2	121.7	0	0	116.4
18	A	27	Very low	29.4	Very low	105 Å²	105	152.7 Å²	152.7	87%	0.868	81%	0.81	S	S	*	*			trans	112.2	129.8	154	0	0	0	0	0	119
19	D	27.6	Very low	29.1	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	81%	0.812	S	S	*	*			trans	-87.8	175.7	169.2	-116.5	-34.5	0	0	0	110.6
20	P	50.8	Low	29.2	Very low	109 Å²	109	150.9 Å²	150.9	71%	0.708	81%	0.806	S	S	*	*			cis	-137.6	-179.7	-16.9	38.1	-20	0	0	0	115.5
21	A	25.2	Very low	29.3	Very low	95 Å²	95	144.4 Å²	144.4	79%	0.785	80%	0.798	S	S	*	*			trans	84.1	148.4	144.1	0	0	0	0	0	124.3
22	A	25.5	Very low	29.2	Very low	97 Å²	97	140.7 Å²	140.7	80%	0.802	80%	0.801	S	S	*	*			trans	77.5	104	148	0	0	0	0	0	124.3
23	A	26.3	Very low	29	Very low	97 Å²	97	134.8 Å²	134.8	80%	0.802	79%	0.789	S	S	*	*				72.1	112.4	121.4	0	0	0	0	0	125.3
24	A	26.6	Very low	29.2	Very low	89 Å²	89	133.1 Å²	133.1	74%	0.736	78%	0.784	S	S	*	*				87.2	139.3	122.6	0	0	0	0	0	124.9
25	C	26.3	Very low	30.1	Very low	110 Å²	110	131.6 Å²	131.6	74%	0.743	77%	0.767	S	S	*	*			trans	71.5	156.2	154.6	-70.7	0	0	0	0	118.7
26	R	28.2	Very low	30.3	Very low	205 Å²	205	131.6 Å²	131.6	77%	0.774	76%	0.762	S	S	*	*			cis	-163.8	153.6	-5.1	-120.6	170.8	-171.4	-168.7	4	112.3
27	Q	26.5	Very low	30.4	Very low	137 Å²	137	127.2 Å²	127.2	64%	0.64	75%	0.745	S	S	*	*			trans	67.5	160.8	155.1	-68.7	-176.2	27.6	0	0	117.8
28	R	23.9	Very low	30.4	Very low	223 Å²	223	123.1 Å²	123.1	84%	0.842	73%	0.725	S	S	*	*			cis	-144.2	179.7	9.7	-136.3	164.5	-147.3	-156.5	2.4	113
29	R	30.7	Very low	30.5	Very low	208 Å²	208	122.3 Å²	122.3	79%	0.785	72%	0.718	S	S	*	*			trans	-122.5	-178.2	177.4	-90.8	-173.8	-176.6	-170.7	3.1	109
30	P	39.7	Very low	30.5	Very low	116 Å²	116	126.6 Å²	126.6	75%	0.753	72%	0.723	S	S	*	*			cis	-127.3	-178.8	17.9	17	11.4	0	0	0	114.1
31	S	31.3	Very low	29.7	Very low	108 Å²	108	129 Å²	129	76%	0.755	72%	0.718	S	S	*	*			cis	106.1	123.7	13.9	95.9	0	0	0	0	117.6
32	V	27.7	Very low	29.9	Very low	153 Å²	153	135.5 Å²	135.5	93%	0.927	72%	0.722	S	S	*	*			trans	-150.9	165.5	170.5	108.7	0	0	0	0	110.4
33	A	25.5	Very low	30.5	Very low	74 Å²	74	136.4 Å²	136.4	61%	0.612	72%	0.722	S	S	*	*			trans	-167.1	-166	-176.5	0	0	0	0	0	115.2
34	I	31.6	Very low	31	Very low	146 Å²	146	137 Å²	137	75%	0.749	72%	0.721	S	S	*	*			trans	91.7	150.4	154.9	50.1	172.4	0	0	0	122
35	P	47.2	Very low	31.2	Very low	64 Å²	64	139.8 Å²	139.8	42%	0.416	73%	0.728	S	S	.	*			trans	-146.4	-142.5	-144.1	44.5	-20.6	0	0	0	115.9	F379	P35-F379 HydrophobicContact CB-CD2 4.31Å; P35-F379 HydrophobicContact CB-CE2 3.75Å; P35-F379 HydrophobicContact CB-CZ 4.47Å; P35-F379 HydrophobicContact CG-CD2 3.49Å; P35-F379 VanDerWaalsContact CG-CD2 3.49Å; P35-F379 HydrophobicContact CG-CE2 3.41Å; P35-F379 VanDerWaalsContact CG-CE2 3.41Å; P35-F379 HydrophobicContact CG-CZ 4.49Å
36	T	31.1	Very low	31.5	Very low	115 Å²	115	137.7 Å²	137.7	71%	0.706	73%	0.725	S	S	*	*			trans	113.8	164.2	158.2	65.6	0	0	0	0	118.2
37	S	29.5	Very low	31.5	Very low	79 Å²	79	136.5 Å²	136.5	55%	0.552	73%	0.733	S	S	*	*			cis	-175.2	154.2	-39.1	71.2	0	0	0	0	117.3
38	K	29.7	Very low	32.1	Very low	101 Å²	101	135.7 Å²	135.7	44%	0.439	74%	0.74	S	S	.	*			trans	60.3	125.5	141.1	-73.1	-178.7	179.6	-164.7	0	126.7	Q375 F377	K38-Q375 WeakPolarHBondContact CE-O 3.49Å; K38-Q375 PolarHBondContact NZ-O 3.1Å; K38-F377 HydrophobicContact CD-CD2 4.19Å; K38-F377 HydrophobicContact CG-CD2 3.63Å; K38-F377 HydrophobicContact CG-CE2 3.89Å
39	A	29.4	Very low	32.3	Very low	88 Å²	88	131.1 Å²	131.1	73%	0.727	74%	0.742	S	S	*	*			trans	-80	172	145.5	0	0	0	0	0	113.8
40	R	28.3	Very low	32.2	Very low	245 Å²	245	127.1 Å²	127.1	93%	0.925	75%	0.746	S	S	*	*			cis	92.7	153.9	22.1	-47.9	179.8	-166.7	-162.5	0.6	114.3
41	R	34.2	Very low	31.7	Very low	159 Å²	159	125.2 Å²	125.2	60%	0.6	75%	0.747	S	S	*	*			trans	-176.1	156.6	-138.8	-159.4	-164.7	-140.2	175.6	10.5	117.7
42	R	28.8	Very low	31.5	Very low	231 Å²	231	127.8 Å²	127.8	87%	0.872	75%	0.752	S	S	*	*				162.4	173.3	121.6	-92.7	-178.4	-173.5	-114.7	11.3	116.9
43	S	38.8	Very low	31.5	Very low	116 Å²	116	126 Å²	126	81%	0.811	74%	0.741	S	S	*	*			trans	-175.5	147.6	-173.3	59.8	0	0	0	0	115.8
44	S	35.5	Very low	31.7	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	74%	0.744	S	S	*	*			trans	-173.9	141.5	162.8	44.3	0	0	0	0	109.3
45	V	32.3	Very low	31.5	Very low	147 Å²	147	131.6 Å²	131.6	89%	0.891	74%	0.743	S	S	*	*			cis	67.4	124.7	43.8	-173.8	0	0	0	0	113.1
46	G	30.6	Very low	30.6	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	76%	0.764	S	S	*	*			cis	137.9	127.6	-4.9	0	0	0	0	0	113.5
47	L	28.5	Very low	30.5	Very low	179 Å²	179	145.3 Å²	145.3	94%	0.937	77%	0.774	S	S	*	*			trans	-157.4	161.5	175.5	-92.3	178.7	0	0	0	113.2
48	P	40.8	Very low	30.4	Very low	121 Å²	121	147.3 Å²	147.3	79%	0.786	79%	0.788	S	S	*	*			trans	-116.3	170.5	-178.4	42	-32	0	0	0	115.8
49	S	27	Very low	30.5	Very low	126 Å²	126	148.9 Å²	148.9	88%	0.881	81%	0.806	S	S	*	*			trans	-150.1	175.6	167.4	65.4	0	0	0	0	112
50	S	29.5	Very low	30.4	Very low	125 Å²	125	151.6 Å²	151.6	87%	0.874	81%	0.813	S	S	*	*			trans	-153.1	142.6	-169.3	58.9	0	0	0	0	114.2
51	G	27.8	Very low	30.5	Very low	75 Å²	75	148.5 Å²	148.5	77%	0.773	81%	0.809	S	S	*	*			trans	176.4	140.8	167	0	0	0	0	0	117.7
52	L	28	Very low	31.5	Very low	163 Å²	163	145.7 Å²	145.7	85%	0.853	81%	0.812	S	S	*	*			trans	67.2	106.8	151.9	-62.7	168.5	0	0	0	122.3
53	T	27.5	Very low	32.1	Very low	114 Å²	114	140.8 Å²	140.8	70%	0.699	81%	0.809	S	S	*	*				15.4	150.4	123.5	62.9	0	0	0	0	120.5
54	Q	29.1	Very low	31.9	Very low	143 Å²	143	139.7 Å²	139.7	67%	0.668	81%	0.807	S	S	*	*			cis	-172.4	160.5	44.6	-152.6	-173.4	89.9	0	0	113.9
55	R	28.8	Very low	32.3	Very low	195 Å²	195	140.6 Å²	140.6	74%	0.736	81%	0.811	S	S	*	*			trans	72.7	155.6	165.6	-53.9	-173.3	179.9	-153.9	-5.1	116.4
56	R	27	Very low	32.2	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	81%	0.807	S	S	*	*			cis	-143	176.8	-3.8	-136.5	174.8	-175	-174.1	0.2	111
57	R	29.6	Very low	32.2	Very low	242 Å²	242	150.7 Å²	150.7	91%	0.913	82%	0.817	S	S	*	*			trans	-88.8	151.9	-175.5	-57.6	172.4	175.1	169.5	-4.2	113.6
58	S	27.8	Very low	32.3	Very low	122 Å²	122	151.1 Å²	151.1	85%	0.853	81%	0.812	S	S	*	*				-170.7	147	116.1	48.8	0	0	0	0	113.6
59	T	32.1	Very low	31.8	Very low	134 Å²	134	154.3 Å²	154.3	82%	0.822	82%	0.816	S	S	*	*			trans	-107.7	154.7	172.1	45.1	0	0	0	0	111.2
60	V	27.4	Very low	31.9	Very low	144 Å²	144	152 Å²	152	87%	0.873	81%	0.812	S	S	*	*			trans	-172.9	162.4	135.4	138.6	0	0	0	0	109.9
61	Q	29.3	Very low	32	Very low	181 Å²	181	158 Å²	158	85%	0.846	82%	0.816	S	S	*	*			trans	-122.6	-173	-175.7	-123.5	-151.6	-6.6	0	0	111.5
62	P	54.5	Low	32	Very low	100 Å²	100	166.2 Å²	166.2	65%	0.649	82%	0.823	S	S	*	*			trans	-91.5	-174.3	-145	42.6	-40.9	0	0	0	114.4
63	P	43.3	Very low	32.1	Very low	127 Å²	127	169.6 Å²	169.6	83%	0.825	83%	0.825	S	S	*	*				-146.1	177.3	102.4	40.1	-26	0	0	0	115.5
64	A	34.6	Very low	32.2	Very low	93 Å²	93	170 Å²	170	77%	0.769	83%	0.832	S	S	*	*			trans	-123.1	155	170.6	0	0	0	0	0	111.6
65	P	42.9	Very low	32.3	Very low	130 Å²	130	168.4 Å²	168.4	84%	0.844	84%	0.837	S	S	*	*			trans	-115.8	-173	161.7	35.9	-24.5	0	0	0	113.6
66	K	29.5	Very low	32.3	Very low	189 Å²	189	166 Å²	166	82%	0.822	84%	0.844	S	S	*	*			trans	-140	153.3	-161.7	-58.4	166.8	-179.6	166.1	0	113.4
67	R	31.1	Very low	32.4	Very low	236 Å²	236	161 Å²	161	89%	0.891	84%	0.838	S	S	*	*			trans	68.3	164.4	158.1	-71.4	171.2	165.5	-179.2	-7.2	114.4
68	K	30.4	Very low	32.4	Very low	188 Å²	188	155.5 Å²	155.5	82%	0.817	83%	0.832	S	S	*	*			cis	-155.7	-176.1	27.3	-146.2	168	-176.7	-174.4	0	112.6
69	H	31	Very low	33	Very low	188 Å²	188	154.7 Å²	154.7	87%	0.87	82%	0.824	S	S	*	*			trans	-67.5	157.7	-170.2	-51.1	-80.4	0	0	0	117.9
70	G	28.3	Very low	32.8	Very low	79 Å²	79	153.1 Å²	153.1	81%	0.814	82%	0.819	S	S	*	*			trans	-151.9	140.7	151.4	0	0	0	0	0	110.7
71	R	31.8	Very low	32.9	Very low	250 Å²	250	154.6 Å²	154.6	94%	0.943	82%	0.82	S	S	*	*			trans	-157.1	119.7	-175.2	-177	-165.9	-166.3	-162.9	8.1	111.9
72	R	27.8	Very low	33	Very low	248 Å²	248	153.1 Å²	153.1	94%	0.936	82%	0.818	S	S	*	*			trans	-160.1	154.1	158.4	-119.2	171.7	-172.8	-175.1	0.2	114
73	R	30.3	Very low	32.6	Very low	234 Å²	234	153.9 Å²	153.9	88%	0.883	82%	0.824	S	S	*	*			trans	-83.8	173.4	164.8	-70.5	176.6	169.3	171.4	-7.1	108
74	S	29.1	Very low	31.9	Very low	121 Å²	121	158.7 Å²	158.7	85%	0.846	83%	0.825	S	S	*	*			cis	-161.4	172.7	41.4	-58.5	0	0	0	0	114.7
75	S	32.2	Very low	31.6	Very low	110 Å²	110	163.3 Å²	163.3	77%	0.769	83%	0.828	S	S	*	*			trans	-92.1	154.6	179.9	51	0	0	0	0	114.9
76	T	28.5	Very low	30.7	Very low	146 Å²	146	162.1 Å²	162.1	90%	0.896	83%	0.83	S	S	*	*			trans	-144.8	159	159.2	-46.9	0	0	0	0	109.6
77	T	28.4	Very low	30.7	Very low	118 Å²	118	159.3 Å²	159.3	72%	0.724	83%	0.828	S	S	*	*			trans	-127.8	164.7	-165.2	-16.5	0	0	0	0	113.9
78	T	29.8	Very low	30.4	Very low	127 Å²	127	154.2 Å²	154.2	78%	0.779	83%	0.827	S	S	*	*			trans	70.6	159.9	152.3	40.5	0	0	0	0	120.5
79	P	41.8	Very low	30.2	Very low	105 Å²	105	156.5 Å²	156.5	68%	0.682	83%	0.83	S	S	*	*			cis	-136.7	172.7	-15.3	32.9	-12.4	0	0	0	116.9
80	S	27.9	Very low	30.1	Very low	102 Å²	102	156.6 Å²	156.6	71%	0.713	83%	0.828	S	S	*	*			trans	51.4	131.4	141.8	65	0	0	0	0	123.4
81	L	29.1	Very low	30	Very low	174 Å²	174	162.9 Å²	162.9	91%	0.911	83%	0.833	S	S	*	*				-169.5	157.6	115.4	-105	166.5	0	0	0	111.9
82	N	30.4	Very low	29.7	Very low	150 Å²	150	157.4 Å²	157.4	80%	0.802	83%	0.827	S	S	*	*			trans	-160.4	131.5	-177.3	-155.9	2.8	0	0	0	110.9
83	P	45.7	Very low	29.6	Very low	117 Å²	117	148.9 Å²	148.9	76%	0.76	82%	0.816	S	S	*	*			trans	-136.5	112.3	163.2	34.7	-17.6	0	0	0	115.9
84	R	28.8	Very low	29.4	Very low	227 Å²	227	147.9 Å²	147.9	86%	0.857	82%	0.818	S	S	*	*			trans	47.1	120.7	132.2	-63.9	-173.7	171.9	178.1	-2.4	121.9
85	F	27.9	Very low	29.3	Very low	191 Å²	191	150 Å²	150	84%	0.838	82%	0.82	S	S	*	*				44.3	121.9	128.7	-68.5	-81.7	0	0	0	121.3
86	A	25.7	Very low	29.1	Very low	105 Å²	105	156 Å²	156	87%	0.868	83%	0.825	S	S	*	*			trans	-130.3	141.2	140.9	0	0	0	0	0	109.7
87	V	28.6	Very low	29	Very low	129 Å²	129	154.4 Å²	154.4	78%	0.782	82%	0.815	S	S	*	*			trans	-131.2	131.2	175.2	174.1	0	0	0	0	108.3
88	C	24.6	Very low	29.1	Very low	129 Å²	129	155.6 Å²	155.6	87%	0.872	82%	0.816	S	S	*	*			trans	-135.3	151.9	169.1	-161.2	0	0	0	0	111
89	R	27.5	Very low	28.8	Very low	236 Å²	236	157 Å²	157	89%	0.891	82%	0.819	S	S	*	*			trans	-103.1	157.6	-169.6	-81.6	178.9	165.4	-179.2	-4.5	113.2
90	K	28.3	Very low	28.4	Very low	190 Å²	190	157.1 Å²	157.1	83%	0.826	82%	0.818	S	S	*	*			trans	-32.1	146.9	169.3	-67	-179.4	172.9	-178	0	116
91	K	25	Very low	28.5	Very low	211 Å²	211	160.7 Å²	160.7	92%	0.917	82%	0.823	S	S	*	*			trans	-125.7	164.9	136.6	-89.6	-172.7	174.8	179.2	0	110.1
92	V	26.8	Very low	28.6	Very low	136 Å²	136	160.8 Å²	160.8	82%	0.824	82%	0.823	S	S	*	*			trans	-143.2	145	-169.4	173.4	0	0	0	0	110.3
93	G	26.3	Very low	28.6	Very low	68 Å²	68	162.4 Å²	162.4	70%	0.701	83%	0.831	S	S	*	*			trans	103.4	146	172.4	0	0	0	0	0	113.7
94	K	25.7	Very low	27.7	Very low	214 Å²	214	160 Å²	160	93%	0.93	83%	0.827	S	S	*	*			cis	-144.1	161.5	4	-87.2	-176.6	174.9	177.9	0	111.8
95	L	26.9	Very low	28.1	Very low	166 Å²	166	154.9 Å²	154.9	87%	0.869	82%	0.823	S	S	*	*			trans	-60.7	150	167.2	-111.6	69.5	0	0	0	113.1
96	R	27.3	Very low	28.3	Very low	234 Å²	234	151.6 Å²	151.6	88%	0.883	82%	0.824	S	S	*	*				-162.4	127.6	119.6	-110.5	174.7	-175.5	-169.9	-1.3	113.6
97	T	26.1	Very low	28.5	Very low	113 Å²	113	152.6 Å²	152.6	69%	0.693	81%	0.812	S	S	*	*			trans	24.8	106.2	150.2	42.7	0	0	0	0	120.2
98	I	31	Very low	28.7	Very low	143 Å²	143	154.4 Å²	154.4	73%	0.733	82%	0.816	S	S	*	*				35.8	126.7	112.6	-54.1	171.7	0	0	0	117.7	T100	I98-T100 HydrophobicContact CG2-CG2 3.58Å
99	D	23.7	Very low	29.1	Very low	158 Å²	158	156.9 Å²	156.9	85%	0.845	82%	0.82	S	S	*	*			trans	-133.6	143.3	138	-141	-30.2	0	0	0	108.7
100	T	34.1	Very low	29.1	Very low	107 Å²	107	148.1 Å²	148.1	66%	0.656	80%	0.798	S	S	*	*			trans	-117	84.1	-163.9	47.7	0	0	0	0	114.9	I98	I98-T100 HydrophobicContact CG2-CG2 3.58Å
101	H	29.5	Very low	29	Very low	177 Å²	177	144.1 Å²	144.1	82%	0.819	79%	0.794	S	S	*	*			trans	-148.9	100.6	163.5	-79.7	-76.4	0	0	0	111.4
102	L	30.4	Very low	29.3	Very low	175 Å²	175	142.2 Å²	142.2	92%	0.916	79%	0.793	S	S	*	*			trans	167.5	61.9	151	-94.3	162.8	0	0	0	112.6
103	L	30.7	Very low	29.5	Very low	185 Å²	185	143.3 Å²	143.3	97%	0.969	79%	0.792	S	S	*	*			trans	-138.9	131	158.6	-78.9	179.4	0	0	0	109.4
104	G	27.2	Very low	29.6	Very low	65 Å²	65	149.1 Å²	149.1	67%	0.67	80%	0.801	S	S	*	*			trans	-152.9	152.7	-177.5	0	0	0	0	0	110.2
105	P	37.2	Very low	29.6	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	80%	0.803	S	S	*	*				-113	123.3	-97.6	2	16.2	0	0	0	114.7	M107	P105-M107 HydrophobicContact CB-CG 4.2Å; P105-M107 PolarHBondContact O-N 3Å
106	S	31.3	Very low	29.8	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	80%	0.797	S	S	*	*			trans	-92.4	76.4	164.7	58.4	0	0	0	0	110.7
107	M	31.4	Very low	29.9	Very low	127 Å²	127	142.5 Å²	142.5	63%	0.626	80%	0.797	S	S	*	*			trans	-120.6	62.8	-170.8	-78.8	-67	-70.3	0	0	113.7	P105 A110	P105-M107 HydrophobicContact CB-CG 4.2Å; P105-M107 PolarHBondContact O-N 3Å; M107-A110 HydrophobicContact CE-CB 3.93Å; M107-A110 HydrophobicContact SD-CB 4.28Å
108	L	31.6	Very low	29.9	Very low	166 Å²	166	146 Å²	146	87%	0.869	81%	0.806	S	S	*	*	S	Bend	trans	-130.7	17.8	170.4	-77.5	178.3	0	0	0	114.3
109	L	32.3	Very low	29.7	Very low	181 Å²	181	146.8 Å²	146.8	95%	0.948	81%	0.812	S	S	*	*	S	Bend	trans	-124.1	9	174.5	-145.8	73.9	0	0	0	113.9
110	A	27.6	Very low	30	Very low	52 Å²	52	148.1 Å²	148.1	43%	0.43	81%	0.813	S	S	.	*	S	Bend	trans	-109.4	-12.3	-176.3	0	0	0	0	0	114.3	M107 L112	M107-A110 HydrophobicContact CE-CB 3.93Å; M107-A110 HydrophobicContact SD-CB 4.28Å; A110-L112 VanDerWaalsContact C-N 3.26Å; A110-L112 PolarHBondContact O-N 2.85Å; A110-L112 VanDerWaalsContact O-N 3.16Å
111	S	27.6	Very low	29.6	Very low	106 Å²	106	152.5 Å²	152.5	74%	0.741	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	26.3	-171.4	-50.9	0	0	0	0	115
112	L	30.7	Very low	29.5	Very low	171 Å²	171	147.3 Å²	147.3	90%	0.895	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	8.6	175.6	-98.3	168.1	0	0	0	113.4	A110	A110-L112 VanDerWaalsContact C-N 3.26Å; A110-L112 PolarHBondContact O-N 2.85Å; A110-L112 VanDerWaalsContact O-N 3.16Å
113	I	31.8	Very low	29.3	Very low	159 Å²	159	148.9 Å²	148.9	82%	0.815	82%	0.822	S	S	*	*	S	Bend	trans	-127.6	66.8	175.4	-48.9	-179.4	0	0	0	109.3
114	Q	26.9	Very low	29.1	Very low	190 Å²	190	143.8 Å²	143.8	89%	0.888	82%	0.815	S	S	*	*			trans	-161.3	77.6	164.2	-133.4	175.4	2.3	0	0	110.9
115	M	27.2	Very low	29	Very low	195 Å²	195	144.7 Å²	144.7	96%	0.961	82%	0.824	S	S	*	*	S	Bend	trans	-167.8	33.8	171.8	-100.3	-94.3	179.8	0	0	110.5
116	A	31.1	Very low	28.4	Very low	91 Å²	91	142.2 Å²	142.2	75%	0.752	82%	0.821	S	S	*	*	S	Bend	trans	-163	80	-178.7	0	0	0	0	0	111.7
117	E	27.6	Very low	28.1	Very low	190 Å²	190	145.4 Å²	145.4	89%	0.888	83%	0.827	S	S	*	*			trans	175	169.2	146.7	-98.4	162.9	-156.6	0	0	108.4
118	E	26.8	Very low	27.7	Very low	187 Å²	187	143 Å²	143	87%	0.874	84%	0.835	S	S	*	*			trans	68.9	122.7	-159.2	-57.6	173.1	-172.5	0	0	111.9
119	D	27.5	Very low	27.3	Very low	159 Å²	159	140.5 Å²	140.5	85%	0.85	84%	0.838	S	S	*	*			cis	-120.2	159.2	10.7	-70.1	-54.7	0	0	0	114.4
120	E	28.7	Very low	27	Very low	186 Å²	186	135.6 Å²	135.6	87%	0.869	83%	0.832	S	S	*	*			trans	-97.9	-177.1	165.2	-79.6	-155.6	123.8	0	0	112.2
121	E	27	Very low	26.8	Very low	199 Å²	199	141.3 Å²	141.3	93%	0.93	85%	0.854	S	S	*	*			trans	73.3	133	173.4	-52.4	-167.7	168	0	0	116.9
122	G	26.9	Very low	27.5	Very low	67 Å²	67	142.1 Å²	142.1	69%	0.691	86%	0.857	S	S	*	*			cis	-179.3	177.8	-5.1	0	0	0	0	0	114.5
123	E	26.8	Very low	27.2	Very low	208 Å²	208	138.4 Å²	138.4	97%	0.972	85%	0.85	S	S	*	*			trans	62.4	166.1	169.2	-57	-153.3	117.6	0	0	120.5
124	G	25.4	Very low	26.8	Very low	79 Å²	79	134 Å²	134	81%	0.814	85%	0.845	S	S	*	*			trans	118.5	41.9	151.9	0	0	0	0	0	119
125	G	26	Very low	26.7	Very low	83 Å²	83	132.7 Å²	132.7	86%	0.856	84%	0.839	S	S	*	*			trans	-73.8	-166.4	-169.3	0	0	0	0	0	119.5
126	G	23.9	Very low	26.6	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	83%	0.825	S	S	*	*			trans	114.6	116	154.1	0	0	0	0	0	118
127	L	25.1	Very low	26.2	Very low	188 Å²	188	133.3 Å²	133.3	98%	0.984	82%	0.823	S	S	*	*			trans	57.6	138.3	139.2	-56.9	169.1	0	0	0	120.7
128	G	23.8	Very low	26.1	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	81%	0.813	S	S	*	*			trans	155.4	92.9	155.3	0	0	0	0	0	116.4
129	A	23.8	Very low	25.9	Very low	113 Å²	113	129.2 Å²	129.2	93%	0.934	81%	0.812	S	S	*	*			trans	-67.3	158.4	173.7	0	0	0	0	0	114.2
130	G	25	Very low	25.6	Very low	78 Å²	78	127 Å²	127	80%	0.804	81%	0.809	S	S	*	*			trans	-169.5	60	-179.9	0	0	0	0	0	117.3
131	L	23.1	Very low	25.5	Very low	172 Å²	172	129.4 Å²	129.4	90%	0.901	81%	0.81	S	S	*	*			trans	-78.2	169.1	160.8	-72	166.6	0	0	0	110.2
132	P	43	Very low	25.9	Very low	123 Å²	123	126 Å²	126	80%	0.799	81%	0.805	S	S	*	*			cis	-112.2	-148.5	13.3	37.1	-17.8	0	0	0	111.9
133	A	24	Very low	25.9	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	81%	0.813	S	S	*	*			cis	-149.5	-167.4	12.1	0	0	0	0	0	109.9
134	G	23	Very low	25.9	Very low	68 Å²	68	128.9 Å²	128.9	70%	0.701	81%	0.809	S	S	*	*			cis	104.3	138.3	12.6	0	0	0	0	0	112.3
135	E	26.1	Very low	25.8	Very low	162 Å²	162	136.2 Å²	136.2	76%	0.757	81%	0.812	S	S	*	*			cis	-150.8	151.6	1.2	-67.7	-163.7	98.5	0	0	112.8
136	Q	24	Very low	25.9	Very low	142 Å²	142	136.6 Å²	136.6	66%	0.664	81%	0.807	S	S	*	*			trans	60.7	154.9	136.1	-69.2	179.9	48.8	0	0	122
137	Q	23	Very low	26.7	Very low	156 Å²	156	138.3 Å²	138.3	73%	0.729	81%	0.805	S	S	*	*			cis	-175.4	-179.5	-15.7	-175.6	179.4	68.8	0	0	109.4
138	V	24.9	Very low	26.9	Very low	110 Å²	110	140.4 Å²	140.4	67%	0.667	80%	0.8	S	S	*	*			trans	77.5	114.1	163.9	-168.3	0	0	0	0	115.1
139	E	22.2	Very low	27.1	Very low	182 Å²	182	141.6 Å²	141.6	85%	0.85	80%	0.795	S	S	*	*				69.3	145.2	69	-77.8	-164.9	150.2	0	0	115.7
140	S	22.5	Very low	27.3	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	79%	0.788	S	S	*	*			cis	-158.4	-157.5	-7.7	60.7	0	0	0	0	112.7
141	R	26.7	Very low	27.3	Very low	236 Å²	236	150.7 Å²	150.7	89%	0.891	79%	0.791	S	S	*	*			trans	-88.4	168.3	-172.8	-88.2	179	178.3	178.1	0.7	112.6
142	P	35.6	Very low	27.6	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	79%	0.787	S	S	*	*				-156.4	-144	55	44.9	-19.7	0	0	0	118.5
143	L	26.9	Very low	26.7	Very low	165 Å²	165	153 Å²	153	86%	0.864	78%	0.782	S	S	*	*			trans	-108.8	171.9	-157.2	-66	157.6	0	0	0	115.3
144	I	26.3	Very low	26.9	Very low	170 Å²	170	152.9 Å²	152.9	87%	0.872	78%	0.775	S	S	*	*			trans	137.1	151.9	154.9	-77.9	159.9	0	0	0	110.9
145	R	23.8	Very low	27	Very low	233 Å²	233	154.7 Å²	154.7	88%	0.879	78%	0.777	S	S	*	*			cis	-173.9	151.3	-34.3	-163.2	176.9	-166.2	177.2	4.7	106.6
146	A	27.4	Very low	27.1	Very low	91 Å²	91	155.9 Å²	155.9	75%	0.752	78%	0.783	S	S	*	*			trans	-80.1	179.4	-177.6	0	0	0	0	0	114.1
147	P	40.4	Very low	27.1	Very low	104 Å²	104	153.9 Å²	153.9	68%	0.675	78%	0.78	S	S	*	*				-166.2	-174.7	82.9	47.4	-26.7	0	0	0	120.3
148	R	29	Very low	27.2	Very low	233 Å²	233	156 Å²	156	88%	0.879	79%	0.787	S	S	*	*			trans	79.8	145.9	151.4	-75	168.2	-165	-169.6	3.8	120.1
149	C	28.7	Very low	27.1	Very low	102 Å²	102	155.2 Å²	155.2	69%	0.689	79%	0.792	S	S	*	*			cis	-165.6	153.2	-8.2	51.1	0	0	0	0	117.6
150	L	27.2	Very low	27.2	Very low	153 Å²	153	150.3 Å²	150.3	80%	0.801	79%	0.79	S	S	*	*			trans	70.6	152.8	155	-67.1	162.9	0	0	0	119.2
151	R	26.3	Very low	27.3	Very low	230 Å²	230	152.3 Å²	152.3	87%	0.868	79%	0.792	S	S	*	*			cis	-152.9	139.5	23.6	-152.2	-177.2	-164	-173	5.3	114
152	R	28	Very low	27.3	Very low	215 Å²	215	149.1 Å²	149.1	81%	0.811	79%	0.792	S	S	*	*			trans	14	151.8	148.6	-64.2	-164.6	169	161.6	-3.8	121.8
153	N	25.4	Very low	26.8	Very low	128 Å²	128	148 Å²	148	68%	0.684	79%	0.787	S	S	*	*			cis	-167.6	159	1.9	-120.8	35.6	0	0	0	114
154	S	26.6	Very low	27.1	Very low	90 Å²	90	146.2 Å²	146.2	63%	0.629	79%	0.786	S	S	*	*			trans	10.1	159.8	144.2	62.3	0	0	0	0	124.5
155	S	26.4	Very low	27	Very low	106 Å²	106	147.3 Å²	147.3	74%	0.741	78%	0.784	S	S	*	*			cis	176.6	162.4	-17.3	-81.8	0	0	0	0	110.7
156	Q	27.9	Very low	27	Very low	187 Å²	187	143 Å²	143	87%	0.874	78%	0.784	S	S	*	*			trans	68.9	163.5	155.9	-73.7	-178.6	-11.6	0	0	120.7
157	V	24.7	Very low	26.8	Very low	100 Å²	100	143.3 Å²	143.3	61%	0.606	78%	0.779	S	S	*	*			cis	-166.5	171.3	-35.2	145.4	0	0	0	0	107.4
158	F	23.8	Very low	26	Very low	200 Å²	200	147 Å²	147	88%	0.877	78%	0.781	S	S	*	*			trans	81.6	155.8	172.2	-58.5	-69.4	0	0	0	118.2
159	A	24	Very low	25.7	Very low	93 Å²	93	146.2 Å²	146.2	77%	0.769	78%	0.778	S	S	*	*			cis	-178.2	169.4	-36.6	0	0	0	0	0	109.6
160	G	24.4	Very low	25.4	Very low	79 Å²	79	144.4 Å²	144.4	81%	0.814	78%	0.777	S	S	*	*			trans	129.6	117.6	153.7	0	0	0	0	0	116.9
161	D	24.3	Very low	25.2	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	78%	0.776	S	S	*	*			trans	-73.6	157.7	162.3	-68	-75.6	0	0	0	112.1
162	L	25.5	Very low	25.1	Very low	169 Å²	169	135.8 Å²	135.8	89%	0.885	77%	0.765	S	S	*	*				164.4	144	111.4	-86.3	172.3	0	0	0	112.4
163	S	25.8	Very low	25	Very low	105 Å²	105	132.3 Å²	132.3	73%	0.734	76%	0.758	S	S	*	*			trans	-91.4	166.1	159.4	-62.3	0	0	0	0	110.2
164	P	33.8	Very low	25	Very low	129 Å²	129	136 Å²	136	84%	0.838	76%	0.762	S	S	*	*				-143.7	174.6	105.2	37.4	-22.9	0	0	0	116.5
165	F	24	Very low	24.9	Very low	192 Å²	192	140.6 Å²	140.6	84%	0.842	77%	0.77	S	S	*	*			trans	-68.6	-176.8	-176.5	-87.2	-110.9	0	0	0	116.3
166	V	24.1	Very low	24.9	Very low	143 Å²	143	144.9 Å²	144.9	87%	0.867	77%	0.77	S	S	*	*			trans	96.2	141.9	151.9	-173.6	0	0	0	0	116.2
167	C	23.6	Very low	24.7	Very low	97 Å²	97	145.1 Å²	145.1	66%	0.655	76%	0.763	S	S	*	*			cis	-169.8	171	-40.9	-155.3	0	0	0	0	109.9
168	Y	22.1	Very low	24.7	Very low	182 Å²	182	149.7 Å²	149.7	71%	0.714	78%	0.775	S	S	*	*			trans	71.5	154	151.9	-88.5	-58.4	0	0	0	123.5
169	R	23.1	Very low	24.8	Very low	217 Å²	217	147.3 Å²	147.3	82%	0.819	77%	0.77	S	S	*	*			trans	-1	154.8	159.5	-68.9	156.1	-169.2	-160.5	6.3	119.6
170	G	21.9	Very low	24.9	Very low	64 Å²	64	147.7 Å²	147.7	66%	0.66	77%	0.767	S	S	*	*			cis	129.3	152.9	-0.7	0	0	0	0	0	114.8
171	S	23.6	Very low	24.9	Very low	112 Å²	112	149.8 Å²	149.8	78%	0.783	76%	0.764	S	S	*	*			trans	69.5	118.9	160.9	76.1	0	0	0	0	121.5
172	S	24.4	Very low	25	Very low	90 Å²	90	148.7 Å²	148.7	63%	0.629	76%	0.763	S	S	*	*				93.4	142.8	125.9	90.2	0	0	0	0	122.4
173	Q	26	Very low	25.1	Very low	142 Å²	142	145.2 Å²	145.2	66%	0.664	75%	0.753	S	S	*	*			trans	72.2	154.1	147.4	-74.1	176.2	86.8	0	0	117.4
174	R	25	Very low	25.1	Very low	204 Å²	204	149.5 Å²	149.5	77%	0.77	76%	0.758	S	S	*	*			cis	-157.3	171.6	12.7	-138.6	165.7	-155	-171.8	6.7	112.3
175	K	25.2	Very low	24.8	Very low	187 Å²	187	148.2 Å²	148.2	81%	0.813	76%	0.759	S	S	*	*			trans	78.6	143	164	-62	167.4	-176.7	174.9	0	117.5
176	R	24.9	Very low	24.8	Very low	197 Å²	197	142.9 Å²	142.9	74%	0.743	76%	0.757	S	S	*	*			cis	-169.8	144.3	-27.8	-124.9	-176.5	178.3	-179.4	0.9	111.2
177	R	24.6	Very low	25.2	Very low	192 Å²	192	141.8 Å²	141.8	73%	0.725	76%	0.756	S	S	*	*			trans	46.5	114.9	146	-70.9	173.9	173	-178.2	-5.4	121.8
178	K	25.7	Very low	26.2	Very low	195 Å²	195	142.9 Å²	142.9	85%	0.848	76%	0.762	S	S	*	*				164.8	129.9	111.6	-88.3	-175.9	178.6	-173.8	0	107.2
179	I	24.1	Very low	26.6	Very low	150 Å²	150	145.7 Å²	145.7	77%	0.769	77%	0.771	S	S	*	*			cis	75.1	85.1	47.2	-54.6	173.3	0	0	0	113.3
180	S	26	Very low	27.7	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	77%	0.771	S	S	*	*			trans	-170.6	126.8	133.8	52.8	0	0	0	0	107.1
181	T	26.4	Very low	27.9	Very low	122 Å²	122	141.8 Å²	141.8	75%	0.748	78%	0.776	S	S	*	*				57.6	130.1	61.2	67.8	0	0	0	0	112.6
182	V	26.3	Very low	28.2	Very low	131 Å²	131	149 Å²	149	79%	0.794	79%	0.786	S	S	*	*			cis	-154.4	171.9	2.4	100.4	0	0	0	0	112.8
183	S	26.4	Very low	28.3	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	80%	0.796	S	S	*	*			trans	-36.8	163.8	164.5	-38.6	0	0	0	0	115.9
184	K	26.5	Very low	28.4	Very low	194 Å²	194	150.8 Å²	150.8	84%	0.843	81%	0.806	S	S	*	*			cis	-154.5	147	43.1	-85.4	177.8	179.4	174	0	109.4
185	A	27.8	Very low	28.4	Very low	103 Å²	103	149.2 Å²	149.2	85%	0.851	81%	0.812	S	S	*	*				68.2	127.4	73.3	0	0	0	0	0	115.5
186	G	24	Very low	28.6	Very low	79 Å²	79	147.7 Å²	147.7	81%	0.814	81%	0.812	S	S	*	*			trans	170.3	108.9	176.3	0	0	0	0	0	115.9
187	S	32.3	Very low	29.1	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	82%	0.818	S	S	*	*			trans	-121.9	171.2	160.7	-53.3	0	0	0	0	107.1
188	P	43.2	Very low	29.1	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	82%	0.818	S	S	*	*			cis	-136.7	-151.7	9.1	42	-20.3	0	0	0	114.7
189	W	31.8	Very low	29.2	Very low	240 Å²	240	142.8 Å²	142.8	91%	0.909	82%	0.821	S	S	*	*			trans	-70.9	-176.4	179.7	-57.2	74.5	0	0	0	114.1
190	P	45.3	Very low	29.4	Very low	126 Å²	126	144 Å²	144	82%	0.818	82%	0.821	S	S	*	*			cis	-141.6	-174.1	3.5	44.3	-26	0	0	0	117.3
191	G	26.5	Very low	29.4	Very low	73 Å²	73	146.5 Å²	146.5	75%	0.753	83%	0.826	S	S	*	*			trans	142.8	126.8	144.6	0	0	0	0	0	121.6
192	R	29	Very low	29.4	Very low	263 Å²	263	145.5 Å²	145.5	99%	0.992	83%	0.825	S	S	*	*			trans	28.9	144.8	152.6	-67.3	-173	176.3	-148.2	0.4	123.5
193	G	26.6	Very low	29.7	Very low	82 Å²	82	144.9 Å²	144.9	85%	0.845	82%	0.821	S	S	*	*			trans	150.8	118.8	141.6	0	0	0	0	0	117.6
194	H	29	Very low	29.6	Very low	188 Å²	188	151 Å²	151	87%	0.87	83%	0.83	S	S	*	*			trans	-105.2	150.4	167.4	-98.6	-88.1	0	0	0	110.8
195	L	24.9	Very low	29.6	Very low	172 Å²	172	151.3 Å²	151.3	90%	0.901	83%	0.828	S	S	*	*			trans	-144	146.7	147.9	-86.8	-176.6	0	0	0	111.7
196	L	29.8	Very low	29.5	Very low	154 Å²	154	154.9 Å²	154.9	81%	0.806	83%	0.832	S	S	*	*			trans	-102.7	168	164.8	-78.7	163.6	0	0	0	109.2
197	P	34.2	Very low	29.5	Very low	134 Å²	134	158 Å²	158	87%	0.87	83%	0.829	S	S	*	*				-135	175.7	118.6	36.1	-25.8	0	0	0	114
198	S	26.4	Very low	29.4	Very low	104 Å²	104	160.7 Å²	160.7	73%	0.727	83%	0.829	S	S	*	*			trans	-136.7	149.3	-165	173.4	0	0	0	0	113.5
199	R	27.7	Very low	29.5	Very low	243 Å²	243	160.4 Å²	160.4	92%	0.917	83%	0.827	S	S	*	*			trans	-168.4	115.4	155	-100.3	166	-174.7	-154.6	-0.4	106.7
200	K	28	Very low	29.6	Very low	176 Å²	176	152.4 Å²	152.4	77%	0.765	81%	0.811	S	S	*	*				75.8	111.6	59.3	-78.4	-162.2	171.4	-173.3	0	115.5
201	N	25.7	Very low	28.9	Very low	154 Å²	154	154.7 Å²	154.7	82%	0.824	81%	0.809	S	S	*	*			trans	64	157	147.1	-63.7	30.5	0	0	0	118.2
202	S	26.3	Very low	29	Very low	102 Å²	102	161.4 Å²	161.4	71%	0.713	81%	0.813	S	S	*	*			cis	-146.3	165.4	-5.8	-164	0	0	0	0	111
203	V	32.2	Very low	29	Very low	118 Å²	118	160.8 Å²	160.8	72%	0.715	81%	0.811	S	S	*	*			trans	-78.2	146.6	160.8	175.9	0	0	0	0	110.3
204	Y	24.2	Very low	29.1	Very low	224 Å²	224	160 Å²	160	88%	0.878	80%	0.803	S	S	*	*			trans	-155.2	155.4	147.6	-100.4	-68.9	0	0	0	112.1
205	Y	26.2	Very low	29.9	Very low	202 Å²	202	157.5 Å²	157.5	79%	0.792	80%	0.803	S	S	*	*			trans	-86.1	161.5	177.8	-92.1	-109	0	0	0	112.7
206	L	25.7	Very low	30.1	Very low	177 Å²	177	152.9 Å²	152.9	93%	0.927	80%	0.797	S	S	*	*			trans	-157.7	162.9	149	-110.8	163.3	0	0	0	111.6
207	N	25.4	Very low	30.8	Very low	144 Å²	144	151.6 Å²	151.6	77%	0.77	80%	0.798	S	S	*	*			trans	-115.1	172.7	-158.5	-86.9	-28.4	0	0	0	115.9
208	H	30	Very low	30.5	Very low	179 Å²	179	153.1 Å²	153.1	83%	0.829	80%	0.798	S	S	*	*			trans	-60.4	154	178.5	-110.1	-60.5	0	0	0	116.2
209	P	45.6	Very low	30.6	Very low	114 Å²	114	153.1 Å²	153.1	74%	0.74	80%	0.798	S	S	*	*				-128.5	-170.6	105.2	4.3	18.4	0	0	0	112.5
210	A	32.9	Very low	31.4	Very low	71 Å²	71	146.4 Å²	146.4	59%	0.587	79%	0.786	S	S	*	*			cis	-174.4	170.7	-43.7	0	0	0	0	0	110.5
211	F	30.6	Very low	31.5	Very low	175 Å²	175	146.6 Å²	146.6	77%	0.768	80%	0.795	S	S	*	*			trans	67.5	150.7	169.1	-63.8	-82.2	0	0	0	119
212	Y	27.8	Very low	31.6	Very low	214 Å²	214	142.5 Å²	142.5	84%	0.839	79%	0.788	S	S	*	*			cis	-127.1	-177.5	2.7	-111.9	-72.5	0	0	0	112.5
213	R	29.5	Very low	32.1	Very low	249 Å²	249	143.7 Å²	143.7	94%	0.94	79%	0.794	S	S	*	*			trans	-143.8	145.7	-168.2	-158.5	-171.6	-156.7	-166.8	8.7	112.4
214	G	28.4	Very low	31.9	Very low	67 Å²	67	146.8 Å²	146.8	69%	0.691	80%	0.8	S	S	*	*			trans	-164	157.5	173.9	0	0	0	0	0	112.7
215	P	46.5	Very low	32.2	Very low	134 Å²	134	142.4 Å²	142.4	87%	0.87	80%	0.802	S	S	*	*			trans	-135.1	150.3	-138.5	39.1	-22.5	0	0	0	120.6
216	G	28.3	Very low	32.3	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	80%	0.799	S	S	*	*			trans	87.8	163	143.6	0	0	0	0	0	119.3
217	P	44.4	Very low	32.5	Very low	127 Å²	127	137.8 Å²	137.8	83%	0.825	78%	0.779	S	S	*	*			cis	-116.3	-163.7	-8.2	40.8	-26.8	0	0	0	113.5
218	L	28.7	Very low	32.7	Very low	166 Å²	166	134.8 Å²	134.8	87%	0.869	77%	0.77	S	S	*	*			trans	-117	-173.2	179.1	-54.2	177.9	0	0	0	110.3
219	S	29	Very low	33	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	77%	0.768	S	S	*	*			cis	-166.8	-164.1	12.8	-142.3	0	0	0	0	107.9
220	P	44.1	Very low	32.5	Very low	103 Å²	103	136.5 Å²	136.5	67%	0.669	76%	0.763	S	S	*	*			cis	-132	168.6	-18.5	40	-23.1	0	0	0	116.2
221	L	30.2	Very low	32.8	Very low	180 Å²	180	137.8 Å²	137.8	94%	0.942	76%	0.757	S	S	*	*			trans	50.8	129.9	149.3	-67.8	169.4	0	0	0	123.5
222	G	28.3	Very low	33.9	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	74%	0.744	S	S	*	*			trans	175.9	121.1	162.2	0	0	0	0	0	112.9	H224	G222-H224 PolarHBondContact O-N 2.87Å
223	P	35.3	Very low	35.1	Very low	128 Å²	128	125.8 Å²	125.8	83%	0.831	72%	0.72	S	S	*	*			trans	-96	99	-166.3	35	-34.5	0	0	0	115.3
224	H	28.6	Very low	36.3	Very low	183 Å²	183	115.5 Å²	115.5	85%	0.847	69%	0.687	S	S	*	*			trans	-134.6	114.7	162.1	-76.3	-41.4	0	0	0	112.1	G222 Y226	G222-H224 PolarHBondContact O-N 2.87Å; H224-Y226 PolarHBondContact O-N 2.72Å
225	S	30	Very low	37.8	Very low	131 Å²	131	114.2 Å²	114.2	92%	0.916	67%	0.67	S	S	*	*			trans	-77.8	79.2	178.3	41.9	0	0	0	0	112.1	D227	S225-D227 PolarHBondContact O-N 2.84Å
226	Y	28.7	Very low	38.6	Very low	184 Å²	184	113.4 Å²	113.4	72%	0.722	65%	0.653	S	S	*	*			trans	-74.8	106.2	175.4	-148.5	-87.9	0	0	0	110.6	H224 S228	H224-Y226 PolarHBondContact O-N 2.72Å; Y226-S228 VanDerWaalsContact C-N 3.29Å; Y226-S228 PolarHBondContact O-N 2.93Å
227	D	30.9	Very low	40.1	Very low	98 Å²	98	110 Å²	110	52%	0.524	62%	0.617	S	S	.	*			trans	-74.7	80	180	-175.8	13.2	0	0	0	112.5	S225 R229 L230	S225-D227 PolarHBondContact O-N 2.84Å; D227-R229 PolarHBondContact O-N 3.36Å; D227-R229 VanDerWaalsContact O-N 3.15Å; D227-R229 WeakPolarHBondContact OD1-CB 3.33Å; D227-R229 PolarHBondContact OD1-N 2.92Å; D227-R229 VanDerWaalsContact OD1-N 3.08Å; D227-L230 PolarHBondContact O-N 3.37Å
228	S	27.7	Very low	41	Very low	82 Å²	82	106.9 Å²	106.9	57%	0.573	59%	0.593	S	S	*	*	H	α-helix	trans	-60	-20.3	176.8	-169.4	0	0	0	0	113.4	Y226 S232	Y226-S228 VanDerWaalsContact C-N 3.29Å; Y226-S228 PolarHBondContact O-N 2.93Å; S228-S232 WeakPolarHBondContact O-CB 3.45Å; S228-S232 PolarHBondContact O-N 2.92Å; S228-S232 VanDerWaalsContact O-N 3.12Å
229	R	36.6	Very low	42.8	Very low	206 Å²	206	105.8 Å²	105.8	78%	0.777	58%	0.581	S	S	*	*	H	α-helix	trans	-69.3	-38	-179.2	-62.3	-175.3	173.4	-166.5	-1.3	111.6	D227 S232 L233	D227-R229 PolarHBondContact O-N 3.36Å; D227-R229 VanDerWaalsContact O-N 3.15Å; D227-R229 WeakPolarHBondContact OD1-CB 3.33Å; D227-R229 PolarHBondContact OD1-N 2.92Å; D227-R229 VanDerWaalsContact OD1-N 3.08Å; R229-S232 PolarHBondContact O-N 3.31Å; R229-S232 PolarHBondContact O-OG 3.02Å; R229-L233 PolarHBondContact O-N 3.18Å
230	L	36.4	Very low	44.3	Very low	123 Å²	123	102 Å²	102	64%	0.644	56%	0.556	S	S	*	*	H	α-helix	trans	-68.4	-41.3	-179.1	-157.8	77.2	0	0	0	112.2	D227 S234	D227-L230 PolarHBondContact O-N 3.37Å; L230-S234 PolarHBondContact O-N 2.78Å; L230-S234 VanDerWaalsContact O-N 3.14Å
231	E	39	Very low	45.5	Very low	97 Å²	97	97.5 Å²	97.5	45%	0.453	53%	0.526	S	S	.	.	H	α-helix	trans	-63.5	-45.8	173.8	-74.7	-151.3	128	0	0	111.3	L233 S234 A235	E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 2.88Å; E231-S234 PolarHBondContact O-N 2.86Å; E231-S234 VanDerWaalsContact O-N 3.07Å; E231-S234 PolarHBondContact O-OG 3.4Å; E231-A235 WeakPolarHBondContact O-CB 3.39Å; E231-A235 PolarHBondContact O-N 2.89Å
232	S	54.1	Low	46.9	Very low	72 Å²	72	90 Å²	90	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-57.1	-41.7	-179.1	78.9	0	0	0	0	112.7	S228 R229 F236	S228-S232 WeakPolarHBondContact O-CB 3.45Å; S228-S232 PolarHBondContact O-N 2.92Å; S228-S232 VanDerWaalsContact O-N 3.12Å; R229-S232 PolarHBondContact O-N 3.31Å; R229-S232 PolarHBondContact O-OG 3.02Å; S232-F236 VanDerWaalsContact O-CB 3.29Å; S232-F236 WeakPolarHBondContact O-CB 3.45Å; S232-F236 PolarHBondContact O-N 3.49Å
233	L	52.3	Low	48.4	Very low	65 Å²	65	94 Å²	94	34%	0.34	49%	0.489	S	S	.	.	H	α-helix	trans	-67.6	-42.3	176.2	-176.8	76.6	0	0	0	111.6	R229 E231 A235 F236 L237 V400	R229-L233 PolarHBondContact O-N 3.18Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 2.88Å; L233-A235 VanDerWaalsContact C-N 3.34Å; L233-A235 PolarHBondContact O-N 3.22Å; L233-F236 WeakPolarHBondContact O-CB 3.5Å; L233-F236 PolarHBondContact O-N 3.05Å; L233-L237 HydrophobicContact CG-CD1 4.3Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 2.85Å; L233-V400 HydrophobicContact CD1-CG2 4.31Å; L233-V400 HydrophobicContact CD2-CG2 3.54Å
234	S	54.4	Low	49.1	Very low	33 Å²	33	89.3 Å²	89.3	23%	0.231	46%	0.459	C	S	.	.	H	α-helix	trans	-65.4	-38.7	178.8	77.9	0	0	0	0	112	L230 E231 L237 L238	L230-S234 PolarHBondContact O-N 2.78Å; L230-S234 VanDerWaalsContact O-N 3.14Å; E231-S234 PolarHBondContact O-N 2.86Å; E231-S234 VanDerWaalsContact O-N 3.07Å; E231-S234 PolarHBondContact O-OG 3.4Å; S234-L237 PolarHBondContact O-N 3.35Å; S234-L238 WeakPolarHBondContact O-CB 3.3Å; S234-L238 WeakPolarHBondContact O-CG 3.17Å; S234-L238 PolarHBondContact O-N 2.85Å
235	A	59.9	Low	49.8	Very low	40 Å²	40	83.4 Å²	83.4	33%	0.331	45%	0.448	S	S	.	.	H	α-helix	trans	-70.1	-34.1	174.5	0	0	0	0	0	112.2	E231 L233 K239	E231-A235 WeakPolarHBondContact O-CB 3.39Å; E231-A235 PolarHBondContact O-N 2.89Å; L233-A235 VanDerWaalsContact C-N 3.34Å; L233-A235 PolarHBondContact O-N 3.22Å; A235-K239 WeakPolarHBondContact O-CB 3.49Å; A235-K239 VanDerWaalsContact O-CG 3.28Å; A235-K239 WeakPolarHBondContact O-CG 3.32Å; A235-K239 PolarHBondContact O-N 2.89Å
236	F	62.8	Low	50.6	Low	117 Å²	117	81 Å²	81	51%	0.513	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-46.9	171.6	177.5	-97.3	0	0	0	111.5	S232 L233 K239 A240 L405	S232-F236 VanDerWaalsContact O-CB 3.29Å; S232-F236 WeakPolarHBondContact O-CB 3.45Å; S232-F236 PolarHBondContact O-N 3.49Å; L233-F236 WeakPolarHBondContact O-CB 3.5Å; L233-F236 PolarHBondContact O-N 3.05Å; F236-K239 PolarHBondContact O-N 2.85Å; F236-A240 WeakPolarHBondContact O-CB 3.36Å; F236-A240 PolarHBondContact O-N 3.05Å; F236-L405 HydrophobicContact CE1-CD2 4.04Å; F236-L405 HydrophobicContact CZ-CD2 4.45Å
237	L	61.1	Low	51	Low	5 Å²	5	78.5 Å²	78.5	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-62.7	-41.8	175.4	-73.7	170.3	0	0	0	112.1	L233 S234 K239 A240 I241 F403 L405	L233-L237 HydrophobicContact CG-CD1 4.3Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 2.85Å; S234-L237 PolarHBondContact O-N 3.35Å; L237-K239 PolarHBondContact O-N 2.79Å; L237-A240 PolarHBondContact O-N 2.83Å; L237-I241 WeakPolarHBondContact O-CB 3.17Å; L237-I241 PolarHBondContact O-N 2.94Å; L237-F403 HydrophobicContact CD2-CD1 4.48Å; L237-L405 HydrophobicContact CD2-CD1 3.76Å
238	L	63.7	Low	51.3	Low	61 Å²	61	76.6 Å²	76.6	32%	0.319	41%	0.409	S	S	.	.	H	α-helix	trans	-56.8	-47.1	171.7	-86.3	159.5	0	0	0	111.9	S234 A242 H358 I384	S234-L238 WeakPolarHBondContact O-CB 3.3Å; S234-L238 WeakPolarHBondContact O-CG 3.17Å; S234-L238 PolarHBondContact O-N 2.85Å; L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 2.57Å; L238-H358 HydrophobicContact CD2-CB 4.34Å; L238-H358 WeakPolarHBondContact CD2-CD2 3.25Å; L238-I384 HydrophobicContact CD1-CD1 4.04Å; L238-I384 HydrophobicContact CG-CD1 4.49Å
239	K	66.6	Low	51.4	Low	143 Å²	143	77.4 Å²	77.4	62%	0.622	42%	0.42	S	S	*	.	H	α-helix	trans	-66.4	-36.5	176.6	-74.4	170.8	-179.1	176.7	0	112.3	A235 F236 L237 K243	A235-K239 WeakPolarHBondContact O-CB 3.49Å; A235-K239 VanDerWaalsContact O-CG 3.28Å; A235-K239 WeakPolarHBondContact O-CG 3.32Å; A235-K239 PolarHBondContact O-N 2.89Å; F236-K239 PolarHBondContact O-N 2.85Å; L237-K239 PolarHBondContact O-N 2.79Å; K239-K243 WeakPolarHBondContact O-CB 3.49Å; K239-K243 VanDerWaalsContact O-CG 3.22Å; K239-K243 WeakPolarHBondContact O-CG 3.46Å; K239-K243 PolarHBondContact O-N 2.88Å; K239-K243 VanDerWaalsContact O-N 3.08Å
240	A	59.6	Low	50.9	Low	25 Å²	25	71.5 Å²	71.5	21%	0.207	42%	0.416	C	S	.	.	H	α-helix	trans	-68.4	-44.5	177	0	0	0	0	0	111.8	F236 L237 K243 S244	F236-A240 WeakPolarHBondContact O-CB 3.36Å; F236-A240 PolarHBondContact O-N 3.05Å; L237-A240 PolarHBondContact O-N 2.83Å; A240-K243 CarbonylContact O-C 3.59Å; A240-K243 PolarHBondContact O-N 2.84Å; A240-S244 WeakPolarHBondContact O-CB 3.41Å; A240-S244 PolarHBondContact O-N 2.87Å
241	I	69.9	Low	50.5	Low	8 Å²	8	71.2 Å²	71.2	4%	0.041	42%	0.419	C	S	.	.	H	α-helix	trans	-70.8	-35.4	178.5	-76.8	164.9	0	0	0	111.9	L237 K243 S244 F332 W356 H358 I387 F403 I408	L237-I241 WeakPolarHBondContact O-CB 3.17Å; L237-I241 PolarHBondContact O-N 2.94Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-S244 PolarHBondContact O-N 2.81Å; I241-S244 PolarHBondContact O-OG 3.22Å; I241-S244 VanDerWaalsContact O-OG 3.06Å; I241-F332 HydrophobicContact CG2-CE2 4.44Å; I241-W356 HydrophobicContact CD1-CB 4.07Å; I241-W356 HydrophobicContact CG1-CB 4.04Å; I241-W356 HydrophobicContact CG2-CB 3.91Å; I241-W356 VanDerWaalsContact CG2-O 3.23Å; I241-W356 WeakPolarHBondContact CG2-O 3.4Å; I241-H358 WeakPolarHBondContact CD1-NE2 3.24Å; I241-I387 HydrophobicContact CD1-CD1 4.12Å; I241-I387 HydrophobicContact CD1-CG2 3.89Å; I241-F403 HydrophobicContact CD1-CE1 4.05Å; I241-F403 HydrophobicContact CD1-CZ 4.36Å; I241-I408 HydrophobicContact CG1-CD1 4.34Å
242	A	59.9	Low	50.1	Low	23 Å²	23	74.9 Å²	74.9	19%	0.19	44%	0.436	C	S	.	.	H	α-helix	trans	-64.2	-37.6	169.7	0	0	0	0	0	112	L238 F332	L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 2.57Å; A242-F332 HydrophobicContact CB-CD2 4.44Å
243	K	59.5	Low	48.8	Very low	150 Å²	150	76.8 Å²	76.8	65%	0.652	45%	0.45	S	S	*	.	H	α-helix	trans	-80.6	-16.9	177.6	-72	177.9	177.3	-169.7	0	114.5	K239 A240 I241 G245 L246	K239-K243 WeakPolarHBondContact O-CB 3.49Å; K239-K243 VanDerWaalsContact O-CG 3.22Å; K239-K243 WeakPolarHBondContact O-CG 3.46Å; K239-K243 PolarHBondContact O-N 2.88Å; K239-K243 VanDerWaalsContact O-N 3.08Å; A240-K243 CarbonylContact O-C 3.59Å; A240-K243 PolarHBondContact O-N 2.84Å; I241-K243 VanDerWaalsContact C-N 3.32Å; K243-G245 PolarHBondContact O-N 2.81Å; K243-L246 WeakPolarHBondContact O-CB 3.34Å; K243-L246 PolarHBondContact O-N 2.96Å; K243-L246 VanDerWaalsContact O-N 3.08Å
244	S	50.4	Low	47.5	Very low	29 Å²	29	80.9 Å²	80.9	20%	0.203	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18	-174.2	70.1	0	0	0	0	114.3	A240 I241 L246	A240-S244 WeakPolarHBondContact O-CB 3.41Å; A240-S244 PolarHBondContact O-N 2.87Å; I241-S244 PolarHBondContact O-N 2.81Å; I241-S244 PolarHBondContact O-OG 3.22Å; I241-S244 VanDerWaalsContact O-OG 3.06Å; S244-L246 PolarHBondContact O-N 2.94Å
245	G	43.1	Very low	46.3	Very low	60 Å²	60	84 Å²	84	62%	0.619	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	1.4	171	0	0	0	0	0	114.8	K243	K243-G245 PolarHBondContact O-N 2.81Å
246	L	44.9	Very low	44.8	Very low	81 Å²	81	87.7 Å²	87.7	42%	0.424	52%	0.523	S	S	.	.			trans	-119	38.8	-154.2	-141.5	170.3	0	0	0	113.6	K243 S244	K243-L246 WeakPolarHBondContact O-CB 3.34Å; K243-L246 PolarHBondContact O-N 2.96Å; K243-L246 VanDerWaalsContact O-N 3.08Å; S244-L246 PolarHBondContact O-N 2.94Å
247	Q	39	Very low	43.3	Very low	130 Å²	130	85.6 Å²	85.6	61%	0.607	54%	0.535	S	S	*	.			trans	-95.9	-10.7	172	-78.3	-173.2	-3.1	0	0	114.4	R353	Q247-R353 VanDerWaalsContact OE1-CZ 3.26Å
248	N	36.9	Very low	41.7	Very low	59 Å²	59	94.5 Å²	94.5	32%	0.316	58%	0.576	S	S	.	*	S	Bend	trans	-86.6	120.5	169.8	-71	18.9	0	0	0	108.6	A250	N248-A250 PolarHBondContact O-N 2.95Å; N248-A250 VanDerWaalsContact O-N 3.16Å
249	A	29.1	Very low	40.2	Very low	98 Å²	98	98.9 Å²	98.9	81%	0.81	61%	0.606	S	S	*	*			trans	-59.3	116.7	-169.1	0	0	0	0	0	112.5	T251	A249-T251 PolarHBondContact O-N 2.88Å
250	A	27.1	Very low	38.4	Very low	82 Å²	82	98.4 Å²	98.4	68%	0.678	61%	0.61	S	S	*	*			trans	-64.9	106.3	177.2	0	0	0	0	0	110.3	N248 Q252	N248-A250 PolarHBondContact O-N 2.95Å; N248-A250 VanDerWaalsContact O-N 3.16Å; A250-Q252 PolarHBondContact O-N 2.87Å
251	T	28.2	Very low	37.3	Very low	118 Å²	118	102.3 Å²	102.3	72%	0.724	64%	0.636	S	S	*	*			trans	-73.6	107.8	163.5	-52.3	0	0	0	0	106.9	A249 S253	A249-T251 PolarHBondContact O-N 2.88Å; T251-S253 PolarHBondContact O-N 2.85Å; T251-S253 VanDerWaalsContact O-N 3.13Å
252	Q	29.2	Very low	36.1	Very low	173 Å²	173	110.6 Å²	110.6	81%	0.808	67%	0.674	S	S	*	*			trans	-63.2	114.1	176.8	-71.5	178.4	-18.6	0	0	109.7	A250	A250-Q252 PolarHBondContact O-N 2.87Å
253	S	27.1	Very low	35.8	Very low	112 Å²	112	118 Å²	118	78%	0.783	71%	0.705	S	S	*	*			trans	-85	108.2	166.6	53	0	0	0	0	108.7	T251 A255	T251-S253 PolarHBondContact O-N 2.85Å; T251-S253 VanDerWaalsContact O-N 3.13Å; S253-A255 PolarHBondContact O-N 2.78Å; S253-A255 VanDerWaalsContact O-N 3.09Å
254	N	25.7	Very low	36.1	Very low	151 Å²	151	112.8 Å²	112.8	81%	0.807	69%	0.687	S	S	*	*			trans	-62.2	111.9	172.6	-72.8	-5.9	0	0	0	109.4	S256	N254-S256 PolarHBondContact O-N 2.92Å
255	A	28.5	Very low	37.1	Very low	98 Å²	98	113.7 Å²	113.7	81%	0.81	69%	0.689	S	S	*	*			trans	-81.7	100.6	173.3	0	0	0	0	0	109.6	S253 G257	S253-A255 PolarHBondContact O-N 2.78Å; S253-A255 VanDerWaalsContact O-N 3.09Å; A255-G257 PolarHBondContact O-N 2.87Å
256	S	27.9	Very low	38.8	Very low	118 Å²	118	113.8 Å²	113.8	83%	0.825	68%	0.68	S	S	*	*			trans	-65.3	122.6	158.2	50.6	0	0	0	0	108.2	N254	N254-S256 PolarHBondContact O-N 2.92Å
257	G	32.8	Very low	40.5	Very low	74 Å²	74	112.3 Å²	112.3	76%	0.763	68%	0.675	S	S	*	*			trans	-71.7	137.3	-164.8	0	0	0	0	0	115.1	A255	A255-G257 PolarHBondContact O-N 2.87Å
258	Q	26.9	Very low	42.7	Very low	191 Å²	191	107.4 Å²	107.4	89%	0.893	65%	0.652	S	S	*	*			trans	-138.1	113	147.8	-96.1	179.9	-22.4	0	0	107.3	D260	Q258-D260 PolarHBondContact O-N 2.94Å
259	T	30.8	Very low	44.9	Very low	154 Å²	154	106.6 Å²	106.6	95%	0.945	65%	0.648	S	S	*	*			trans	-85.2	80.8	175	48.4	0	0	0	0	109.5
260	D	28.9	Very low	47.6	Very low	133 Å²	133	104.6 Å²	104.6	71%	0.711	62%	0.62	S	S	*	*			trans	-99.1	151.3	160.9	-156.2	-11.3	0	0	0	109.8	Q258 Q262	Q258-D260 PolarHBondContact O-N 2.94Å; D260-Q262 VanDerWaalsContact C-N 3.26Å; D260-Q262 PolarHBondContact O-N 3.48Å
261	S	37.3	Very low	50.3	Low	107 Å²	107	102.8 Å²	102.8	75%	0.748	60%	0.602	S	S	*	*			trans	-79	64.4	-165.8	56.2	0	0	0	0	113.1	Q263	S261-Q263 PolarHBondContact O-N 2.86Å
262	Q	45.1	Very low	52.8	Low	181 Å²	181	100.8 Å²	100.8	85%	0.846	58%	0.584	S	S	*	*			trans	-53.5	111.4	-178.4	-69	-171.9	-6.3	0	0	112.2	D260	D260-Q262 VanDerWaalsContact C-N 3.26Å; D260-Q262 PolarHBondContact O-N 3.48Å
263	Q	53.8	Low	55.3	Low	180 Å²	180	98.6 Å²	98.6	84%	0.841	58%	0.578	S	S	*	*			trans	-61.5	140.1	169.7	-66.3	-174.4	-1.4	0	0	109.7	S261 N265	S261-Q263 PolarHBondContact O-N 2.86Å; Q263-N265 PolarHBondContact O-N 2.76Å
264	P	64.8	Low	58.1	Low	40 Å²	40	93.2 Å²	93.2	26%	0.26	54%	0.541	S	S	.	.			trans	-62.5	122.2	-176.4	25	-35.1	0	0	0	111.4	S266 W281 M310 M324	P264-S266 PolarHBondContact O-N 3.36Å; P264-S266 VanDerWaalsContact O-N 3.09Å; P264-W281 HydrophobicContact CB-CB 4Å; P264-W281 HydrophobicContact CB-CG 4.13Å; P264-M310 HydrophobicContact CB-CE 4.46Å; P264-M310 HydrophobicContact CG-CE 3.85Å; P264-M310 HydrophobicContact CG-CG 4.18Å; P264-M310 HydrophobicContact CG-SD 4.33Å; P264-M324 HydrophobicContact CB-CE 3.8Å; P264-M324 HydrophobicContact CB-SD 3.92Å; P264-M324 HydrophobicContact CG-CE 4.43Å
265	N	72.7	Confident	60.9	Low	48 Å²	48	90.5 Å²	90.5	26%	0.257	52%	0.523	S	S	.	.			trans	-59.7	113.1	-171.1	-172.2	10.6	0	0	0	112.6	Q263 T267 E278 W281	Q263-N265 PolarHBondContact O-N 2.76Å; N265-T267 PolarHBondContact ND2-O 2.84Å; N265-T267 PolarHBondContact OD1-N 2.84Å; N265-T267 PolarHBondContact OD1-O 3.49Å; N265-T267 PolarHBondContact OD1-OG1 2.91Å; N265-E278 PolarHBondContact ND2-OE1 2.8Å; N265-W281 PolarHBondContact O-N 3.35Å
266	S	77.9	Confident	63.7	Low	61 Å²	61	89.4 Å²	89.4	43%	0.427	50%	0.499	S	S	.	.			trans	-93.5	1.3	176.1	60.5	0	0	0	0	113.7	P264 W281 F282	P264-S266 PolarHBondContact O-N 3.36Å; P264-S266 VanDerWaalsContact O-N 3.09Å; S266-W281 WeakPolarHBondContact CA-O 3.37Å; S266-W281 WeakPolarHBondContact CB-O 3.43Å; S266-F282 WeakPolarHBondContact O-CZ 3.44Å
267	T	80.3	Confident	66.5	Low	51 Å²	51	83.9 Å²	83.9	31%	0.313	46%	0.46	S	S	.	.	S	Bend	trans	-119.5	171.8	-175.2	70.2	0	0	0	0	111.6	N265 K515	N265-T267 PolarHBondContact ND2-O 2.84Å; N265-T267 PolarHBondContact OD1-N 2.84Å; N265-T267 PolarHBondContact OD1-O 3.49Å; N265-T267 PolarHBondContact OD1-OG1 2.91Å; T267-K515 HydrophobicContact CG2-CD 4Å
268	I	85.3	Confident	69.2	Low	26 Å²	26	82.8 Å²	82.8	13%	0.133	44%	0.435	C	S	.	.			trans	-100.2	112.6	176	-65.4	170.8	0	0	0	107.8	W270 I280 M502 P507 R508	I268-W270 HydrophobicContact CG2-CD2 4.47Å; I268-W270 HydrophobicContact CG2-CZ2 4.42Å; I268-W270 VanDerWaalsContact O-CD1 3.27Å; I268-W270 PolarHBondContact O-N 3.49Å; I268-I280 HydrophobicContact CD1-CD1 4.23Å; I268-I280 HydrophobicContact CG1-CD1 3.69Å; I268-I280 HydrophobicContact CG1-CG1 4.42Å; I268-M502 HydrophobicContact CD1-CE 3.75Å; I268-M502 HydrophobicContact CD1-SD 4.43Å; I268-M502 HydrophobicContact CG1-CE 4.24Å; I268-P507 VanDerWaalsContact CD1-C 3.41Å; I268-P507 HydrophobicContact CD1-CB 3.67Å; I268-P507 WeakPolarHBondContact CD1-O 3.31Å; I268-P507 HydrophobicContact CG1-CB 4.38Å; I268-R508 HydrophobicContact CG2-CG 3.87Å
269	D	83.8	Confident	72.2	Confident	42 Å²	42	74.6 Å²	74.6	23%	0.225	40%	0.396	C	S	.	.			trans	-68.5	127.2	174.5	-175.7	23.9	0	0	0	110.9	S271 A274 R508	D269-S271 VanDerWaalsContact CG-OG 3.23Å; D269-S271 WeakPolarHBondContact OD1-CB 3.08Å; D269-S271 PolarHBondContact OD1-N 2.73Å; D269-S271 PolarHBondContact OD1-OG 2.74Å; D269-S271 PolarHBondContact OD2-OG 3.13Å; D269-A274 HydrophobicContact CB-CB 3.95Å; D269-A274 WeakPolarHBondContact O-CB 3.25Å; D269-A274 WeakPolarHBondContact OD2-CA 3.05Å; D269-A274 WeakPolarHBondContact OD2-CB 3.46Å; D269-A274 PolarHBondContact OD2-N 2.9Å; D269-R508 VanDerWaalsContact O-CZ 3.23Å; D269-R508 PolarHBondContact O-NH1 3.48Å; D269-R508 PolarHBondContact O-NH2 3.3Å
270	W	84.8	Confident	75.1	Confident	57 Å²	57	68 Å²	68	22%	0.216	36%	0.355	C	S	.	.			trans	-110.1	6.4	174.1	-69.3	105	0	0	0	112.6	I268 P467 F468 R508 F511 M524	I268-W270 HydrophobicContact CG2-CD2 4.47Å; I268-W270 HydrophobicContact CG2-CZ2 4.42Å; I268-W270 VanDerWaalsContact O-CD1 3.27Å; I268-W270 PolarHBondContact O-N 3.49Å; W270-P467 WeakPolarHBondContact O-CG 3.45Å; W270-F468 HydrophobicContact CE3-CB 4.34Å; W270-F468 AromaticContact CE3-CD2 3.87Å; W270-F468 HydrophobicContact CE3-CD2 3.87Å; W270-F468 HydrophobicContact CE3-CE2 4.36Å; W270-F468 HydrophobicContact CE3-CG 4.02Å; W270-F468 HydrophobicContact CZ3-CB 4.42Å; W270-F468 HydrophobicContact CZ3-CG 4.29Å; W270-F468 WeakPolarHBondContact O-CD2 3.44Å; W270-R508 HydrophobicContact CH2-CB 3.54Å; W270-R508 HydrophobicContact CH2-CG 3.63Å; W270-R508 WeakPolarHBondContact CH2-O 3.29Å; W270-R508 HydrophobicContact CZ2-CB 3.93Å; W270-R508 HydrophobicContact CZ2-CG 3.88Å; W270-R508 HydrophobicContact CZ3-CB 4.32Å; W270-R508 HydrophobicContact CZ3-CG 4.05Å; W270-F511 HydrophobicContact CH2-CZ 4.44Å; W270-F511 AromaticContact CZ2-CE1 3.99Å; W270-F511 HydrophobicContact CZ2-CE1 3.99Å; W270-F511 AromaticContact CZ2-CZ 3.87Å; W270-F511 HydrophobicContact CZ2-CZ 3.87Å; W270-M524 HydrophobicContact CD2-CE 4.11Å; W270-M524 HydrophobicContact CE3-CE 3.64Å; W270-M524 HydrophobicContact CE3-SD 3.9Å; W270-M524 HydrophobicContact CH2-CE 4.11Å; W270-M524 HydrophobicContact CH2-SD 3.61Å; W270-M524 HydrophobicContact CZ3-CE 3.67Å; W270-M524 HydrophobicContact CZ3-SD 3.27Å; W270-M524 WeakPolarHBondContact CZ3-SD 3.29Å
271	S	85	Confident	78.1	Confident	43 Å²	43	62.5 Å²	62.5	30%	0.301	33%	0.325	S	S	.	.	S	Bend	trans	-79.7	-173.8	-177	84.5	0	0	0	0	114.3	D269 N273	D269-S271 VanDerWaalsContact CG-OG 3.23Å; D269-S271 WeakPolarHBondContact OD1-CB 3.08Å; D269-S271 PolarHBondContact OD1-N 2.73Å; D269-S271 PolarHBondContact OD1-OG 2.74Å; D269-S271 PolarHBondContact OD2-OG 3.13Å; S271-N273 PolarHBondContact O-N 3.3Å; S271-N273 WeakPolarHBondContact OG-CB 3.4Å; S271-N273 PolarHBondContact OG-N 3.43Å
272	E	79.5	Confident	80.6	Confident	76 Å²	76	59 Å²	59	36%	0.355	30%	0.296	S	S	.	.	S	Bend	trans	-63.2	-19.6	169.9	-56.9	-148.9	-140.2	0	0	112.8	R429 K432 W465	E272-R429 PolarHBondContact O-NE 3.11Å; E272-R429 PolarHBondContact O-NH2 3.34Å; E272-K432 IonicContact OE1-NZ 2.65Å; E272-K432 PolarHBondContact OE1-NZ 3.17Å; E272-W465 HydrophobicContact CG-CH2 3.59Å; E272-W465 HydrophobicContact CG-CZ3 3.47Å; E272-W465 VanDerWaalsContact CG-CZ3 3.47Å; E272-W465 WeakPolarHBondContact OE1-CZ3 3.47Å; E272-W465 WeakPolarHBondContact OE2-CH2 3.45Å
273	N	82.7	Confident	82.6	Confident	127 Å²	127	57.6 Å²	57.6	68%	0.679	29%	0.289	S	S	*	.			trans	-90.9	-20.9	-168.5	-63.2	-24.3	0	0	0	114.8	S271 Q275	S271-N273 PolarHBondContact O-N 3.3Å; S271-N273 WeakPolarHBondContact OG-CB 3.4Å; S271-N273 PolarHBondContact OG-N 3.43Å; N273-Q275 PolarHBondContact O-N 2.76Å
274	A	85.3	Confident	83.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-46.1	125.2	-169.4	0	0	0	0	0	114.6	D269 R429 F468	D269-A274 HydrophobicContact CB-CB 3.95Å; D269-A274 WeakPolarHBondContact O-CB 3.25Å; D269-A274 WeakPolarHBondContact OD2-CA 3.05Å; D269-A274 WeakPolarHBondContact OD2-CB 3.46Å; D269-A274 PolarHBondContact OD2-N 2.9Å; A274-R429 PolarHBondContact O-NH1 2.77Å; A274-F468 HydrophobicContact CB-CE2 4.17Å; A274-F468 HydrophobicContact CB-CZ 3.9Å
275	Q	85.2	Confident	83.8	Confident	94 Å²	94	52.2 Å²	52.2	44%	0.439	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-86.3	144.4	-171.9	-60.8	-168.3	27	0	0	113.2	N273 G277 E278 F338	N273-Q275 PolarHBondContact O-N 2.76Å; Q275-G277 PolarHBondContact O-N 3.44Å; Q275-E278 HydrophobicContact CB-CB 4.12Å; Q275-E278 HydrophobicContact CB-CG 4.29Å; Q275-E278 PolarHBondContact N-OE2 2.87Å; Q275-E278 PolarHBondContact O-N 2.8Å; Q275-F338 WeakPolarHBondContact O-CE1 3.42Å
276	Y	86.2	Confident	83	Confident	75 Å²	75	54.7 Å²	54.7	29%	0.294	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	120.6	172.8	-175.7	-95.1	0	0	0	110.4	P336 F338 E340	Y276-P336 HydrophobicContact CD2-CB 4.24Å; Y276-P336 HydrophobicContact CE1-CB 4.19Å; Y276-P336 HydrophobicContact CE1-CG 3.84Å; Y276-P336 HydrophobicContact CE2-CB 3.59Å; Y276-P336 HydrophobicContact CE2-CG 4.12Å; Y276-P336 WeakPolarHBondContact OH-CG 3.49Å; Y276-F338 HydrophobicContact CD2-CE2 4.44Å; Y276-F338 VanDerWaalsContact CE2-O 3.28Å; Y276-F338 WeakPolarHBondContact CE2-O 3.37Å; Y276-E340 HydrophobicContact CD2-CG 3.9Å; Y276-E340 HydrophobicContact CG-CG 4.28Å
277	G	86.9	Confident	81.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	30.3	-177.7	0	0	0	0	0	114.4	Q275 C334	Q275-G277 PolarHBondContact O-N 3.44Å; G277-C334 WeakPolarHBondContact O-CB 3.34Å; G277-C334 PolarHBondContact O-N 3.34Å
278	E	90	Very high	80.7	Confident	51 Å²	51	55.5 Å²	55.5	24%	0.238	30%	0.302	C	S	.	.			trans	-60.9	145.9	171.7	-156.8	175.8	139.9	0	0	112.3	N265 Q275 C334	N265-E278 PolarHBondContact ND2-OE1 2.8Å; Q275-E278 HydrophobicContact CB-CB 4.12Å; Q275-E278 HydrophobicContact CB-CG 4.29Å; Q275-E278 PolarHBondContact N-OE2 2.87Å; Q275-E278 PolarHBondContact O-N 2.8Å; E278-C334 WeakPolarHBondContact O-CB 3.26Å
279	H	90.9	Very high	79.7	Confident	19 Å²	19	56.3 Å²	56.3	9%	0.088	31%	0.307	C	S	.	.			trans	-95.3	130.5	173.7	-68.7	-82.7	0	0	0	110.2	W281 C312 F332 C334	H279-W281 HydrophobicContact CB-CD2 4.17Å; H279-W281 VanDerWaalsContact CB-CE2 3.45Å; H279-W281 HydrophobicContact CB-CH2 4.25Å; H279-W281 HydrophobicContact CB-CZ2 3.5Å; H279-W281 VanDerWaalsContact CB-CZ2 3.5Å; H279-W281 AromaticContact CG-CZ2 3.77Å; H279-C312 HydrophobicContact CB-CB 4.3Å; H279-C312 PolarHBondContact ND1-SG 2.77Å; H279-C312 VanDerWaalsContact ND1-SG 3.39Å; H279-F332 PolarHBondContact NE2-O 2.88Å; H279-C334 WeakPolarHBondContact ND1-CB 3.47Å; H279-C334 PolarHBondContact NE2-N 3.02Å
280	I	91.9	Very high	79.3	Confident	15 Å²	15	57.8 Å²	57.8	8%	0.077	31%	0.311	C	S	.	.			trans	-98.2	109.8	178.1	-49.8	160.7	0	0	0	107.6	I268 F282 C312 A313 M502 P507	I268-I280 HydrophobicContact CD1-CD1 4.23Å; I268-I280 HydrophobicContact CG1-CD1 3.69Å; I268-I280 HydrophobicContact CG1-CG1 4.42Å; I280-F282 HydrophobicContact CG2-CE2 3.76Å; I280-F282 HydrophobicContact CG2-CZ 4.39Å; I280-C312 CarbonylContact O-C 3.58Å; I280-C312 VanDerWaalsContact O-CA 3.25Å; I280-C312 WeakPolarHBondContact O-CA 3.46Å; I280-A313 PolarHBondContact O-N 3.17Å; I280-M502 HydrophobicContact CD1-SD 4.14Å; I280-M502 HydrophobicContact CG2-SD 4.29Å; I280-P507 HydrophobicContact CD1-CB 3.48Å; I280-P507 VanDerWaalsContact CD1-CB 3.48Å; I280-P507 HydrophobicContact CD1-CG 3.84Å
281	W	91.5	Very high	79.2	Confident	19 Å²	19	55.4 Å²	55.4	7%	0.072	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.9	-165.7	-66.5	113.4	0	0	0	113.1	P264 N265 S266 H279 M310 C312 I317 V319 M324 L327	P264-W281 HydrophobicContact CB-CB 4Å; P264-W281 HydrophobicContact CB-CG 4.13Å; N265-W281 PolarHBondContact O-N 3.35Å; S266-W281 WeakPolarHBondContact CA-O 3.37Å; S266-W281 WeakPolarHBondContact CB-O 3.43Å; H279-W281 HydrophobicContact CB-CD2 4.17Å; H279-W281 VanDerWaalsContact CB-CE2 3.45Å; H279-W281 HydrophobicContact CB-CH2 4.25Å; H279-W281 HydrophobicContact CB-CZ2 3.5Å; H279-W281 VanDerWaalsContact CB-CZ2 3.5Å; H279-W281 AromaticContact CG-CZ2 3.77Å; W281-M310 HydrophobicContact CB-CB 4.14Å; W281-M310 HydrophobicContact CB-CE 3.94Å; W281-M310 HydrophobicContact CD2-CB 4.12Å; W281-M310 HydrophobicContact CE3-CB 3.64Å; W281-M310 HydrophobicContact CG-CB 4.36Å; W281-M310 HydrophobicContact CZ3-CB 4.39Å; W281-C312 HydrophobicContact CE3-CB 3.99Å; W281-C312 HydrophobicContact CH2-CB 4.27Å; W281-C312 HydrophobicContact CZ3-CB 3.79Å; W281-I317 HydrophobicContact CH2-CD1 4.05Å; W281-I317 HydrophobicContact CH2-CG1 4.13Å; W281-I317 HydrophobicContact CZ3-CG1 4.3Å; W281-V319 HydrophobicContact CH2-CB 4.09Å; W281-V319 HydrophobicContact CH2-CG2 3.76Å; W281-V319 HydrophobicContact CZ3-CB 4.28Å; W281-V319 HydrophobicContact CZ3-CG2 4.15Å; W281-M324 HydrophobicContact CB-CE 4.47Å; W281-M324 HydrophobicContact CD2-CE 3.56Å; W281-M324 HydrophobicContact CE3-CE 4Å; W281-M324 HydrophobicContact CG-CE 3.78Å; W281-M324 HydrophobicContact CZ2-CE 4.2Å; W281-M324 HydrophobicContact CZ3-CE 4.49Å; W281-L327 HydrophobicContact CH2-CD2 3.84Å; W281-L327 HydrophobicContact CZ2-CD2 3.74Å
282	F	89.1	Confident	79.2	Confident	34 Å²	34	55 Å²	55	15%	0.149	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151	169.9	-67.6	-95.1	0	0	0	109.8	S266 I280 M310 K311 A313 Q499 M502	S266-F282 WeakPolarHBondContact O-CZ 3.44Å; I280-F282 HydrophobicContact CG2-CE2 3.76Å; I280-F282 HydrophobicContact CG2-CZ 4.39Å; F282-M310 CarbonylContact O-C 3.54Å; F282-M310 VanDerWaalsContact O-CA 3.27Å; F282-M310 WeakPolarHBondContact O-CA 3.37Å; F282-K311 PolarHBondContact N-O 3.04Å; F282-K311 PolarHBondContact O-N 2.94Å; F282-A313 HydrophobicContact CD2-CB 3.72Å; F282-A313 HydrophobicContact CE2-CB 3.59Å; F282-Q499 HydrophobicContact CB-CG 4.43Å; F282-Q499 HydrophobicContact CD1-CG 3.74Å; F282-Q499 HydrophobicContact CD2-CG 3.94Å; F282-Q499 HydrophobicContact CE1-CG 3.91Å; F282-Q499 HydrophobicContact CE2-CG 4.1Å; F282-Q499 HydrophobicContact CG-CG 3.75Å; F282-Q499 HydrophobicContact CZ-CG 4.09Å; F282-M502 HydrophobicContact CE2-SD 4.22Å; F282-M502 HydrophobicContact CZ-SD 4.4Å
283	E	86.4	Confident	79.2	Confident	151 Å²	151	51.9 Å²	51.9	71%	0.706	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	142.7	176.2	-173.3	166	-153.8	0	0	111	M310	E283-M310 HydrophobicContact CB-SD 4.3Å
284	A	78.2	Confident	78.7	Confident	11 Å²	11	46.9 Å²	46.9	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.9	-175.4	0	0	0	0	0	110.7	R309 K311	A284-R309 HydrophobicContact CB-CB 4.1Å; A284-R309 WeakPolarHBondContact CB-O 3.34Å; A284-R309 PolarHBondContact N-O 3.43Å; A284-K311 HydrophobicContact CB-CB 3.81Å
285	S	66.3	Low	77.8	Confident	96 Å²	96	50.2 Å²	50.2	67%	0.671	28%	0.276	S	S	*	.			trans	-57.2	144.9	174.4	54.5	0	0	0	0	111.4	S287	S285-S287 PolarHBondContact O-N 2.74Å; S285-S287 VanDerWaalsContact O-N 3.09Å
286	V	55.2	Low	76.8	Confident	100 Å²	100	53.1 Å²	53.1	61%	0.606	29%	0.29	S	S	*	.	S	Bend	trans	-68.7	-14.4	-167.8	-145.9	0	0	0	0	113.4	R309	V286-R309 PolarHBondContact O-NH1 3.02Å
287	S	51.7	Low	76.1	Confident	99 Å²	99	55.1 Å²	55.1	69%	0.692	30%	0.3	S	S	*	.	S	Bend	trans	-98	151.7	-174.4	-169	0	0	0	0	113.4	S285 D289	S285-S287 PolarHBondContact O-N 2.74Å; S285-S287 VanDerWaalsContact O-N 3.09Å; S287-D289 PolarHBondContact O-N 2.82Å
288	G	58.4	Low	75.6	Confident	30 Å²	30	55.5 Å²	55.5	31%	0.309	30%	0.302	S	S	.	.	S	Bend	trans	75.1	-36	169.5	0	0	0	0	0	117.8
289	D	64	Low	74.7	Confident	43 Å²	43	55.5 Å²	55.5	23%	0.23	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-92.3	124.4	-174.3	-96.7	10	0	0	0	113.5	S287 R309 K311 S318	S287-D289 PolarHBondContact O-N 2.82Å; D289-R309 PolarHBondContact O-NH1 2.99Å; D289-K311 VanDerWaalsContact CG-NZ 3.35Å; D289-K311 IonicContact OD1-NZ 2.79Å; D289-K311 PolarHBondContact OD1-NZ 2.86Å; D289-K311 WeakPolarHBondContact OD2-CD 3Å; D289-K311 WeakPolarHBondContact OD2-CE 3.36Å; D289-K311 IonicContact OD2-NZ 3.79Å; D289-K311 PolarHBondContact OD2-NZ 3.04Å; D289-S318 PolarHBondContact OD2-OG 3.05Å
290	F	76.4	Confident	73.7	Confident	72 Å²	72	54.8 Å²	54.8	32%	0.316	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-88.7	147.2	177.1	-65.3	-87.4	0	0	0	112.8	Y292	F290-Y292 PolarHBondContact O-N 2.99Å
291	C	83.6	Confident	72.4	Confident	7 Å²	7	59.1 Å²	59.1	5%	0.047	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-63.5	122.9	170.9	-168.7	0	0	0	0	111.5	V293 G294 S318 H320 R360	C291-V293 VanDerWaalsContact C-N 3.29Å; C291-V293 PolarHBondContact O-N 2.79Å; C291-G294 PolarHBondContact O-N 2.81Å; C291-S318 CarbonylContact C-O 3.54Å; C291-S318 WeakPolarHBondContact CA-O 3.39Å; C291-H320 WeakPolarHBondContact CB-CE1 3.45Å; C291-H320 PolarHBondContact SG-CE1 2.96Å; C291-R360 PolarHBondContact O-NH2 3.4Å
292	Y	84.1	Confident	70.9	Confident	35 Å²	35	63.2 Å²	63.2	14%	0.137	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.4	-176.7	-174.2	-105.2	0	0	0	113.4	F290 G294 I317 S318 L327 F332 V357 H358	F290-Y292 PolarHBondContact O-N 2.99Å; Y292-G294 PolarHBondContact O-N 2.8Å; Y292-I317 HydrophobicContact CD1-CD1 4.31Å; Y292-I317 HydrophobicContact CD1-CG2 4.34Å; Y292-I317 HydrophobicContact CD2-CB 4.11Å; Y292-I317 HydrophobicContact CD2-CG2 3.65Å; Y292-I317 HydrophobicContact CE2-CG2 3.88Å; Y292-I317 HydrophobicContact CG-CB 4.01Å; Y292-I317 HydrophobicContact CG-CD1 4.49Å; Y292-I317 HydrophobicContact CG-CG2 3.9Å; Y292-S318 PolarHBondContact N-O 3.16Å; Y292-L327 HydrophobicContact CD1-CD1 3.86Å; Y292-L327 HydrophobicContact CE1-CD1 4.5Å; Y292-F332 HydrophobicContact CD1-CD1 4.24Å; Y292-F332 HydrophobicContact CD1-CE1 4.46Å; Y292-F332 AromaticContact CE1-CD1 3.62Å; Y292-F332 HydrophobicContact CE1-CD1 3.62Å; Y292-F332 AromaticContact CE1-CD2 3.99Å; Y292-F332 HydrophobicContact CE1-CD2 3.99Å; Y292-F332 AromaticContact CE1-CE1 3.72Å; Y292-F332 HydrophobicContact CE1-CE1 3.72Å; Y292-F332 HydrophobicContact CE1-CE2 4.09Å; Y292-F332 AromaticContact CE1-CG 3.76Å; Y292-F332 HydrophobicContact CE1-CG 3.76Å; Y292-F332 AromaticContact CE1-CZ 3.96Å; Y292-F332 HydrophobicContact CE1-CZ 3.96Å; Y292-F332 AromaticContact CZ-CE1 3.95Å; Y292-F332 AromaticContact CZ-CZ 3.79Å; Y292-F332 VanDerWaalsContact OH-CE2 3.22Å; Y292-F332 WeakPolarHBondContact OH-CE2 3.17Å; Y292-F332 VanDerWaalsContact OH-CZ 3.29Å; Y292-F332 WeakPolarHBondContact OH-CZ 3.29Å; Y292-V357 HydrophobicContact CE2-CG1 3.86Å; Y292-H358 HydrophobicContact CE2-CB 4.21Å; Y292-H358 WeakPolarHBondContact CE2-O 3.43Å
293	V	78.9	Confident	69.7	Low	10 Å²	10	66 Å²	66	6%	0.061	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-5.2	-177.7	168.5	0	0	0	0	114.4	C291 F297 V319 C323 Q326 L327	C291-V293 VanDerWaalsContact C-N 3.29Å; C291-V293 PolarHBondContact O-N 2.79Å; V293-F297 HydrophobicContact CG1-CB 3.56Å; V293-F297 WeakPolarHBondContact CG1-O 3.47Å; V293-V319 HydrophobicContact CG2-CG1 4.09Å; V293-C323 HydrophobicContact CG2-CB 4.46Å; V293-Q326 HydrophobicContact CG1-CB 3.79Å; V293-L327 HydrophobicContact CG2-CB 4.25Å; V293-L327 HydrophobicContact CG2-CD1 4.09Å
294	G	71.8	Confident	68.3	Low	23 Å²	23	66.8 Å²	66.8	24%	0.237	37%	0.372	C	S	.	.			trans	88.6	173	176.6	0	0	0	0	0	112.7	C291 Y292 C298	C291-G294 PolarHBondContact O-N 2.81Å; Y292-G294 PolarHBondContact O-N 2.8Å; G294-C298 WeakPolarHBondContact O-CB 3.46Å
295	E	66.8	Low	67.4	Low	70 Å²	70	74.3 Å²	74.3	33%	0.327	40%	0.403	S	S	.	.	S	Bend	trans	-76	-36.2	178.9	-57	-139.8	131.5	0	0	112.2	F297 K301 K382	E295-F297 PolarHBondContact O-N 2.99Å; E295-K301 IonicContact OE1-NZ 2.78Å; E295-K301 PolarHBondContact OE1-NZ 2.96Å; E295-K301 IonicContact OE2-NZ 3.53Å; E295-K301 PolarHBondContact OE2-NZ 3.14Å; E295-K382 WeakPolarHBondContact OE2-CD 3.35Å; E295-K382 VanDerWaalsContact OE2-CE 3.24Å; E295-K382 WeakPolarHBondContact OE2-CE 3.42Å; E295-K382 IonicContact OE2-NZ 2.69Å; E295-K382 PolarHBondContact OE2-NZ 2.81Å
296	Q	65.2	Low	67.3	Low	155 Å²	155	75 Å²	75	72%	0.724	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.8	-175.4	-67.4	168	-8.1	0	0	113.6
297	F	70	Confident	68.2	Low	117 Å²	117	71.2 Å²	71.2	51%	0.513	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	6.8	-174.8	-53.3	-78	0	0	0	113.3	V293 E295 V299	V293-F297 HydrophobicContact CG1-CB 3.56Å; V293-F297 WeakPolarHBondContact CG1-O 3.47Å; E295-F297 PolarHBondContact O-N 2.99Å; F297-V299 PolarHBondContact O-N 3.2Å
298	C	77.2	Confident	69.6	Low	8 Å²	8	70 Å²	70	5%	0.054	38%	0.375	C	S	.	.			trans	-90.2	87.4	-176	179	0	0	0	0	112.2	G294 A300 K301 H320	G294-C298 WeakPolarHBondContact O-CB 3.46Å; C298-A300 VanDerWaalsContact C-N 3.26Å; C298-A300 PolarHBondContact O-N 3.37Å; C298-A300 VanDerWaalsContact O-N 3.12Å; C298-K301 HydrophobicContact CB-CB 4.44Å; C298-K301 WeakPolarHBondContact O-CB 3.47Å; C298-K301 PolarHBondContact O-N 3.39Å; C298-H320 PolarHBondContact SG-CE1 3.46Å; C298-H320 PolarHBondContact SG-ND1 3.42Å; C298-H320 PolarHBondContact SG-NE2 2.87Å
299	V	72.3	Confident	70.8	Confident	51 Å²	51	70.8 Å²	70.8	31%	0.309	37%	0.368	S	S	.	.	H	α-helix	trans	-44.6	-46	179.4	-173.2	0	0	0	0	113.1	F297 K301 S302 L303 Q326	F297-V299 PolarHBondContact O-N 3.2Å; V299-K301 PolarHBondContact O-N 3.17Å; V299-K301 VanDerWaalsContact O-N 3.15Å; V299-S302 WeakPolarHBondContact O-CB 3.39Å; V299-S302 PolarHBondContact O-N 3Å; V299-L303 HydrophobicContact CG1-CD1 3.98Å; V299-L303 HydrophobicContact CG1-CG 4.5Å; V299-L303 PolarHBondContact O-N 2.66Å; V299-Q326 HydrophobicContact CG2-CG 4.35Å
300	A	68.6	Low	72	Confident	4 Å²	4	69.7 Å²	69.7	3%	0.033	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-28.6	179.2	0	0	0	0	0	114.3	C298 L303 Q304 V307 H320	C298-A300 VanDerWaalsContact C-N 3.26Å; C298-A300 PolarHBondContact O-N 3.37Å; C298-A300 VanDerWaalsContact O-N 3.12Å; A300-L303 PolarHBondContact O-N 3.4Å; A300-Q304 PolarHBondContact O-N 3.21Å; A300-V307 HydrophobicContact CB-CB 3.94Å; A300-V307 HydrophobicContact CB-CG1 4.48Å; A300-V307 HydrophobicContact CB-CG2 3.75Å; A300-H320 HydrophobicContact CB-CB 3.99Å
301	K	64.1	Low	72.7	Confident	106 Å²	106	69 Å²	69	46%	0.461	36%	0.359	S	S	.	.	H	α-helix	trans	-75.1	-34.9	176.4	-166.1	179.8	-179.4	-176.2	0	111.3	E295 C298 V299 L303 Q304	E295-K301 IonicContact OE1-NZ 2.78Å; E295-K301 PolarHBondContact OE1-NZ 2.96Å; E295-K301 IonicContact OE2-NZ 3.53Å; E295-K301 PolarHBondContact OE2-NZ 3.14Å; C298-K301 HydrophobicContact CB-CB 4.44Å; C298-K301 WeakPolarHBondContact O-CB 3.47Å; C298-K301 PolarHBondContact O-N 3.39Å; V299-K301 PolarHBondContact O-N 3.17Å; V299-K301 VanDerWaalsContact O-N 3.15Å; K301-L303 VanDerWaalsContact C-N 3.26Å; K301-L303 PolarHBondContact O-N 3.07Å; K301-Q304 PolarHBondContact O-N 3.32Å
302	S	61.5	Low	73.1	Confident	106 Å²	106	68.7 Å²	68.7	74%	0.741	36%	0.357	S	S	*	.	H	α-helix	trans	-66.2	-28.2	173.2	-163.7	0	0	0	0	112.7	V299	V299-S302 WeakPolarHBondContact O-CB 3.39Å; V299-S302 PolarHBondContact O-N 3Å
303	L	63.1	Low	73.5	Confident	91 Å²	91	67 Å²	67	48%	0.476	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-6.2	-178.6	-66.7	172.3	0	0	0	114.4	V299 A300 K301 K305 M322	V299-L303 HydrophobicContact CG1-CD1 3.98Å; V299-L303 HydrophobicContact CG1-CG 4.5Å; V299-L303 PolarHBondContact O-N 2.66Å; A300-L303 PolarHBondContact O-N 3.4Å; K301-L303 VanDerWaalsContact C-N 3.26Å; K301-L303 PolarHBondContact O-N 3.07Å; L303-K305 PolarHBondContact O-N 3.34Å; L303-M322 HydrophobicContact CD1-SD 4.39Å
304	Q	57.9	Low	74	Confident	168 Å²	168	66.6 Å²	66.6	79%	0.785	35%	0.348	S	S	*	.			trans	55.3	0.1	-179.9	-58	-170.9	-0.4	0	0	117.6	A300 K301	A300-Q304 PolarHBondContact O-N 3.21Å; K301-Q304 PolarHBondContact O-N 3.32Å
305	K	58.8	Low	75	Confident	169 Å²	169	65.5 Å²	65.5	74%	0.735	34%	0.337	S	S	*	.	S	Bend	trans	-84	152.5	177.5	-68.6	-174.9	178.4	-174.9	0	112.6	L303 V307	L303-K305 PolarHBondContact O-N 3.34Å; K305-V307 VanDerWaalsContact C-N 3.28Å; K305-V307 HydrophobicContact CB-CG2 4.46Å; K305-V307 PolarHBondContact O-N 3.47Å
306	S	64.8	Low	76.1	Confident	111 Å²	111	64.2 Å²	64.2	78%	0.776	33%	0.33	S	S	*	.			trans	-75.2	74.6	170.3	48.7	0	0	0	0	111.4
307	V	73.4	Confident	77.3	Confident	21 Å²	21	57 Å²	57	13%	0.127	30%	0.296	C	S	.	.			trans	-71	138	175.3	-177.3	0	0	0	0	110	A300 K305 H320 M322	A300-V307 HydrophobicContact CB-CB 3.94Å; A300-V307 HydrophobicContact CB-CG1 4.48Å; A300-V307 HydrophobicContact CB-CG2 3.75Å; K305-V307 VanDerWaalsContact C-N 3.28Å; K305-V307 HydrophobicContact CB-CG2 4.46Å; K305-V307 PolarHBondContact O-N 3.47Å; V307-H320 HydrophobicContact CG1-CB 4.22Å; V307-H320 PolarHBondContact O-CD2 2.93Å; V307-M322 HydrophobicContact CG1-CG 4.29Å
308	P	80.7	Confident	78.2	Confident	72 Å²	72	51.7 Å²	51.7	47%	0.468	27%	0.274	S	S	.	.			trans	-57.7	150.4	175.4	22.1	-33.5	0	0	0	112.7	H320 V321	P308-H320 WeakPolarHBondContact O-CA 3.49Å; P308-V321 HydrophobicContact CB-CG2 4.48Å; P308-V321 HydrophobicContact CG-CG2 4.13Å; P308-V321 PolarHBondContact O-N 3.44Å
309	R	84.5	Confident	78.7	Confident	47 Å²	47	51.3 Å²	51.3	18%	0.177	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.4	179.4	-68.8	-174.9	-166.2	127.8	30.6	110.4	A284 V286 D289 V319 H320	A284-R309 HydrophobicContact CB-CB 4.1Å; A284-R309 WeakPolarHBondContact CB-O 3.34Å; A284-R309 PolarHBondContact N-O 3.43Å; V286-R309 PolarHBondContact O-NH1 3.02Å; D289-R309 PolarHBondContact O-NH1 2.99Å; R309-V319 WeakPolarHBondContact CA-O 3.44Å; R309-H320 WeakPolarHBondContact CG-CD2 3.41Å
310	M	88.6	Confident	79.4	Confident	21 Å²	21	50 Å²	50	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.5	171.1	-55.2	-57.5	-72	0	0	109.6	P264 W281 F282 E283 S318 V319 V321 M324	P264-M310 HydrophobicContact CB-CE 4.46Å; P264-M310 HydrophobicContact CG-CE 3.85Å; P264-M310 HydrophobicContact CG-CG 4.18Å; P264-M310 HydrophobicContact CG-SD 4.33Å; W281-M310 HydrophobicContact CB-CB 4.14Å; W281-M310 HydrophobicContact CB-CE 3.94Å; W281-M310 HydrophobicContact CD2-CB 4.12Å; W281-M310 HydrophobicContact CE3-CB 3.64Å; W281-M310 HydrophobicContact CG-CB 4.36Å; W281-M310 HydrophobicContact CZ3-CB 4.39Å; F282-M310 CarbonylContact O-C 3.54Å; F282-M310 VanDerWaalsContact O-CA 3.27Å; F282-M310 WeakPolarHBondContact O-CA 3.37Å; E283-M310 HydrophobicContact CB-SD 4.3Å; M310-S318 CarbonylContact O-C 3.55Å; M310-S318 VanDerWaalsContact O-CA 3.32Å; M310-S318 WeakPolarHBondContact O-CA 3.38Å; M310-V319 PolarHBondContact N-O 3.38Å; M310-V319 PolarHBondContact O-N 3.25Å; M310-V321 HydrophobicContact CG-CG2 4.03Å; M310-M324 HydrophobicContact CB-CE 3.47Å; M310-M324 VanDerWaalsContact CB-CE 3.47Å; M310-M324 HydrophobicContact CG-CE 3.43Å; M310-M324 VanDerWaalsContact CG-CE 3.43Å
311	K	90.9	Very high	80.3	Confident	57 Å²	57	52.5 Å²	52.5	25%	0.248	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126	178.4	-174.9	167.2	-161.4	158.4	0	109.2	F282 A284 D289 A313 K316 I317 S318	F282-K311 PolarHBondContact N-O 3.04Å; F282-K311 PolarHBondContact O-N 2.94Å; A284-K311 HydrophobicContact CB-CB 3.81Å; D289-K311 VanDerWaalsContact CG-NZ 3.35Å; D289-K311 IonicContact OD1-NZ 2.79Å; D289-K311 PolarHBondContact OD1-NZ 2.86Å; D289-K311 WeakPolarHBondContact OD2-CD 3Å; D289-K311 WeakPolarHBondContact OD2-CE 3.36Å; D289-K311 IonicContact OD2-NZ 3.79Å; D289-K311 PolarHBondContact OD2-NZ 3.04Å; K311-A313 PolarHBondContact O-N 3.48Å; K311-K316 HydrophobicContact CG-CD 4.45Å; K311-I317 CarbonylContact C-O 3.5Å; K311-I317 WeakPolarHBondContact CA-O 3.43Å; K311-S318 WeakPolarHBondContact CG-OG 3.31Å
312	C	92.3	Very high	81.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.4	-179.8	177.9	0	0	0	0	109.7	H279 I280 W281 G314 K316 I317	H279-C312 HydrophobicContact CB-CB 4.3Å; H279-C312 PolarHBondContact ND1-SG 2.77Å; H279-C312 VanDerWaalsContact ND1-SG 3.39Å; I280-C312 CarbonylContact O-C 3.58Å; I280-C312 VanDerWaalsContact O-CA 3.25Å; I280-C312 WeakPolarHBondContact O-CA 3.46Å; W281-C312 HydrophobicContact CE3-CB 3.99Å; W281-C312 HydrophobicContact CH2-CB 4.27Å; W281-C312 HydrophobicContact CZ3-CB 3.79Å; C312-G314 VanDerWaalsContact C-N 3.3Å; C312-G314 PolarHBondContact O-N 2.67Å; C312-K316 WeakPolarHBondContact O-CA 3.18Å; C312-K316 PolarHBondContact O-N 3.41Å; C312-I317 HydrophobicContact CB-CG1 4.01Å; C312-I317 PolarHBondContact N-O 2.97Å
313	A	91.7	Very high	82.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.1	178.4	0	0	0	0	0	112.3	I280 F282 K311 K316 Q499 M502 W503	I280-A313 PolarHBondContact O-N 3.17Å; F282-A313 HydrophobicContact CD2-CB 3.72Å; F282-A313 HydrophobicContact CE2-CB 3.59Å; K311-A313 PolarHBondContact O-N 3.48Å; A313-K316 WeakPolarHBondContact O-CE 3.4Å; A313-Q499 HydrophobicContact CB-CB 4.37Å; A313-M502 HydrophobicContact CB-CB 3.89Å; A313-M502 HydrophobicContact CB-SD 4.06Å; A313-W503 WeakPolarHBondContact O-CA 3.46Å; A313-W503 WeakPolarHBondContact O-CB 3.48Å; A313-W503 PolarHBondContact O-N 3.46Å
314	G	91.1	Very high	83.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-42.7	-175.1	0	0	0	0	0	115	C312 K335	C312-G314 VanDerWaalsContact C-N 3.3Å; C312-G314 PolarHBondContact O-N 2.67Å; G314-K335 VanDerWaalsContact O-CD 3.3Å; G314-K335 WeakPolarHBondContact O-CD 3.17Å; G314-K335 WeakPolarHBondContact O-CE 3.29Å; G314-K335 PolarHBondContact O-NZ 3.25Å
315	C	91.2	Very high	84.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-7.8	-177.2	65.4	0	0	0	0	114.4	I317 V357 R359	C315-I317 VanDerWaalsContact C-N 3.27Å; C315-I317 PolarHBondContact O-N 2.96Å; C315-V357 HydrophobicContact CB-CG2 4.36Å; C315-R359 PolarHBondContact O-NH1 2.82Å; C315-R359 PolarHBondContact O-NH2 3.18Å
316	K	90.1	Very high	85.8	Confident	43 Å²	43	36.2 Å²	36.2	19%	0.187	19%	0.192	C	C	.	.			trans	53.3	39.4	-178.6	-61	-74.6	177.6	175.6	0	113.4	K311 C312 A313 R359 Q499 W503	K311-K316 HydrophobicContact CG-CD 4.45Å; C312-K316 WeakPolarHBondContact O-CA 3.18Å; C312-K316 PolarHBondContact O-N 3.41Å; A313-K316 WeakPolarHBondContact O-CE 3.4Å; K316-R359 PolarHBondContact O-NH1 2.89Å; K316-Q499 VanDerWaalsContact CE-O 3.24Å; K316-Q499 WeakPolarHBondContact CE-O 3.5Å; K316-Q499 PolarHBondContact NZ-O 2.81Å; K316-W503 HydrophobicContact CB-CE3 4.16Å; K316-W503 HydrophobicContact CB-CZ3 4.38Å; K316-W503 HydrophobicContact CD-CB 4.49Å; K316-W503 HydrophobicContact CG-CB 4.12Å; K316-W503 HydrophobicContact CG-CD2 3.69Å; K316-W503 HydrophobicContact CG-CE3 3.62Å; K316-W503 HydrophobicContact CG-CG 3.92Å; K316-W503 HydrophobicContact CG-CZ3 4.33Å
317	I	89.9	Confident	86.8	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	16%	0.157	C	C	.	.			trans	-82.8	155.4	157.7	71.1	179.3	0	0	0	109.4	W281 Y292 K311 C312 C315 V319 L327 F332 V357	W281-I317 HydrophobicContact CH2-CD1 4.05Å; W281-I317 HydrophobicContact CH2-CG1 4.13Å; W281-I317 HydrophobicContact CZ3-CG1 4.3Å; Y292-I317 HydrophobicContact CD1-CD1 4.31Å; Y292-I317 HydrophobicContact CD1-CG2 4.34Å; Y292-I317 HydrophobicContact CD2-CB 4.11Å; Y292-I317 HydrophobicContact CD2-CG2 3.65Å; Y292-I317 HydrophobicContact CE2-CG2 3.88Å; Y292-I317 HydrophobicContact CG-CB 4.01Å; Y292-I317 HydrophobicContact CG-CD1 4.49Å; Y292-I317 HydrophobicContact CG-CG2 3.9Å; K311-I317 CarbonylContact C-O 3.5Å; K311-I317 WeakPolarHBondContact CA-O 3.43Å; C312-I317 HydrophobicContact CB-CG1 4.01Å; C312-I317 PolarHBondContact N-O 2.97Å; C315-I317 VanDerWaalsContact C-N 3.27Å; C315-I317 PolarHBondContact O-N 2.96Å; I317-V319 HydrophobicContact CD1-CG2 4.15Å; I317-V319 HydrophobicContact CG1-CG2 4.28Å; I317-L327 HydrophobicContact CD1-CD1 3.97Å; I317-L327 HydrophobicContact CD1-CD2 3.87Å; I317-F332 HydrophobicContact CD1-CD1 4.06Å; I317-F332 HydrophobicContact CD1-CE1 4.05Å; I317-F332 HydrophobicContact CG2-CE1 4.14Å; I317-V357 HydrophobicContact CG2-CG1 3.61Å
318	S	89.3	Confident	87.2	Confident	6 Å²	6	36.2 Å²	36.2	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	175.4	-52.7	0	0	0	0	109.7	D289 C291 Y292 M310 K311	D289-S318 PolarHBondContact OD2-OG 3.05Å; C291-S318 CarbonylContact C-O 3.54Å; C291-S318 WeakPolarHBondContact CA-O 3.39Å; Y292-S318 PolarHBondContact N-O 3.16Å; M310-S318 CarbonylContact O-C 3.55Å; M310-S318 VanDerWaalsContact O-CA 3.32Å; M310-S318 WeakPolarHBondContact O-CA 3.38Å; K311-S318 WeakPolarHBondContact CG-OG 3.31Å
319	V	88.6	Confident	87.3	Confident	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	140.5	-170.5	-171	0	0	0	0	108.9	W281 V293 R309 M310 I317 C323 L327	W281-V319 HydrophobicContact CH2-CB 4.09Å; W281-V319 HydrophobicContact CH2-CG2 3.76Å; W281-V319 HydrophobicContact CZ3-CB 4.28Å; W281-V319 HydrophobicContact CZ3-CG2 4.15Å; V293-V319 HydrophobicContact CG2-CG1 4.09Å; R309-V319 WeakPolarHBondContact CA-O 3.44Å; M310-V319 PolarHBondContact N-O 3.38Å; M310-V319 PolarHBondContact O-N 3.25Å; I317-V319 HydrophobicContact CD1-CG2 4.15Å; I317-V319 HydrophobicContact CG1-CG2 4.28Å; V319-C323 HydrophobicContact CG1-CB 3.64Å; V319-L327 HydrophobicContact CG2-CD1 4.38Å; V319-L327 HydrophobicContact CG2-CD2 4.41Å
320	H	86.9	Confident	87.1	Confident	22 Å²	22	40.2 Å²	40.2	10%	0.102	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	149.5	170.3	-58.7	103.4	0	0	0	110.1	C291 C298 A300 V307 P308 R309 M322 C323 M324	C291-H320 WeakPolarHBondContact CB-CE1 3.45Å; C291-H320 PolarHBondContact SG-CE1 2.96Å; C298-H320 PolarHBondContact SG-CE1 3.46Å; C298-H320 PolarHBondContact SG-ND1 3.42Å; C298-H320 PolarHBondContact SG-NE2 2.87Å; A300-H320 HydrophobicContact CB-CB 3.99Å; V307-H320 HydrophobicContact CG1-CB 4.22Å; V307-H320 PolarHBondContact O-CD2 2.93Å; P308-H320 WeakPolarHBondContact O-CA 3.49Å; R309-H320 WeakPolarHBondContact CG-CD2 3.41Å; H320-M322 VanDerWaalsContact C-N 3.32Å; H320-M322 PolarHBondContact O-N 3.28Å; H320-C323 HydrophobicContact CB-CB 4.23Å; H320-C323 PolarHBondContact CE1-SG 3.02Å; H320-C323 WeakPolarHBondContact O-CA 3.39Å; H320-C323 WeakPolarHBondContact O-CB 3.37Å; H320-C323 PolarHBondContact O-N 2.73Å; H320-M324 PolarHBondContact O-N 3.41Å
321	V	86.3	Confident	86.9	Confident	58 Å²	58	42.3 Å²	42.3	35%	0.352	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-51.6	-50.3	178.9	-179.9	0	0	0	0	111.5	P308 M310 C323 M324	P308-V321 HydrophobicContact CB-CG2 4.48Å; P308-V321 HydrophobicContact CG-CG2 4.13Å; P308-V321 PolarHBondContact O-N 3.44Å; M310-V321 HydrophobicContact CG-CG2 4.03Å; V321-C323 PolarHBondContact O-N 3.07Å; V321-M324 WeakPolarHBondContact O-CB 3.33Å; V321-M324 WeakPolarHBondContact O-CG 3.31Å; V321-M324 PolarHBondContact O-N 2.91Å; V321-M324 VanDerWaalsContact O-N 3.1Å
322	M	83.6	Confident	86.7	Confident	106 Å²	106	40 Å²	40	52%	0.522	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-69	0.2	177.3	-53.5	-166.5	83.3	0	0	115.4	L303 V307 H320	L303-M322 HydrophobicContact CD1-SD 4.39Å; V307-M322 HydrophobicContact CG1-CG 4.29Å; H320-M322 VanDerWaalsContact C-N 3.32Å; H320-M322 PolarHBondContact O-N 3.28Å
323	C	85.9	Confident	86.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-107.4	2.3	174.7	-63.7	0	0	0	0	112.5	V293 V319 H320 V321 Q326 L327	V293-C323 HydrophobicContact CG2-CB 4.46Å; V319-C323 HydrophobicContact CG1-CB 3.64Å; H320-C323 HydrophobicContact CB-CB 4.23Å; H320-C323 PolarHBondContact CE1-SG 3.02Å; H320-C323 WeakPolarHBondContact O-CA 3.39Å; H320-C323 WeakPolarHBondContact O-CB 3.37Å; H320-C323 PolarHBondContact O-N 2.73Å; V321-C323 PolarHBondContact O-N 3.07Å; C323-Q326 PolarHBondContact O-N 3.09Å; C323-L327 PolarHBondContact O-N 2.66Å; C323-L327 VanDerWaalsContact O-N 3.17Å
324	M	85.9	Confident	86.6	Confident	30 Å²	30	44.8 Å²	44.8	15%	0.148	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-44.8	177.2	-69.8	-174.1	171.5	0	0	112.1	P264 W281 M310 H320 V321 Q326 L327 E328	P264-M324 HydrophobicContact CB-CE 3.8Å; P264-M324 HydrophobicContact CB-SD 3.92Å; P264-M324 HydrophobicContact CG-CE 4.43Å; W281-M324 HydrophobicContact CB-CE 4.47Å; W281-M324 HydrophobicContact CD2-CE 3.56Å; W281-M324 HydrophobicContact CE3-CE 4Å; W281-M324 HydrophobicContact CG-CE 3.78Å; W281-M324 HydrophobicContact CZ2-CE 4.2Å; W281-M324 HydrophobicContact CZ3-CE 4.49Å; M310-M324 HydrophobicContact CB-CE 3.47Å; M310-M324 VanDerWaalsContact CB-CE 3.47Å; M310-M324 HydrophobicContact CG-CE 3.43Å; M310-M324 VanDerWaalsContact CG-CE 3.43Å; H320-M324 PolarHBondContact O-N 3.41Å; V321-M324 WeakPolarHBondContact O-CB 3.33Å; V321-M324 WeakPolarHBondContact O-CG 3.31Å; V321-M324 PolarHBondContact O-N 2.91Å; V321-M324 VanDerWaalsContact O-N 3.1Å; M324-Q326 PolarHBondContact O-N 2.7Å; M324-Q326 VanDerWaalsContact O-N 3.13Å; M324-L327 WeakPolarHBondContact O-CA 3.37Å; M324-L327 WeakPolarHBondContact O-CB 3.48Å; M324-L327 PolarHBondContact O-N 3.19Å; M324-E328 PolarHBondContact O-N 3.08Å; M324-E328 VanDerWaalsContact O-N 3.12Å
325	E	83.5	Confident	86.6	Confident	113 Å²	113	44.9 Å²	44.9	53%	0.528	21%	0.214	S	C	.	.	H	α-helix	trans	-54.5	-35	172.5	-62.6	176.7	-147.8	0	0	112.9	L327 E328 K329	E325-L327 VanDerWaalsContact C-N 3.34Å; E325-E328 PolarHBondContact O-N 3.01Å; E325-K329 WeakPolarHBondContact O-CD 3.48Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 3.35Å; E325-K329 IonicContact OE2-NZ 3.62Å; E325-K329 PolarHBondContact OE2-NZ 2.72Å
326	Q	83.6	Confident	86.6	Confident	49 Å²	49	46.2 Å²	46.2	23%	0.229	22%	0.222	C	C	.	.	H	α-helix	trans	-73.9	-29.6	179.9	-58.8	-64	-12.7	0	0	111.3	V293 V299 C323 M324 E328 K329 I330	V293-Q326 HydrophobicContact CG1-CB 3.79Å; V299-Q326 HydrophobicContact CG2-CG 4.35Å; C323-Q326 PolarHBondContact O-N 3.09Å; M324-Q326 PolarHBondContact O-N 2.7Å; M324-Q326 VanDerWaalsContact O-N 3.13Å; Q326-E328 VanDerWaalsContact C-N 3.32Å; Q326-K329 PolarHBondContact O-N 2.95Å; Q326-I330 WeakPolarHBondContact O-CG1 3.22Å; Q326-I330 PolarHBondContact O-N 3.21Å; Q326-I330 VanDerWaalsContact O-N 3.15Å
327	L	84.6	Confident	86.7	Confident	5 Å²	5	45 Å²	45	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-36.6	170.1	-165.6	76.3	0	0	0	111.7	W281 Y292 V293 I317 V319 C323 M324 E325 I330 N331 F332	W281-L327 HydrophobicContact CH2-CD2 3.84Å; W281-L327 HydrophobicContact CZ2-CD2 3.74Å; Y292-L327 HydrophobicContact CD1-CD1 3.86Å; Y292-L327 HydrophobicContact CE1-CD1 4.5Å; V293-L327 HydrophobicContact CG2-CB 4.25Å; V293-L327 HydrophobicContact CG2-CD1 4.09Å; I317-L327 HydrophobicContact CD1-CD1 3.97Å; I317-L327 HydrophobicContact CD1-CD2 3.87Å; V319-L327 HydrophobicContact CG2-CD1 4.38Å; V319-L327 HydrophobicContact CG2-CD2 4.41Å; C323-L327 PolarHBondContact O-N 2.66Å; C323-L327 VanDerWaalsContact O-N 3.17Å; M324-L327 WeakPolarHBondContact O-CA 3.37Å; M324-L327 WeakPolarHBondContact O-CB 3.48Å; M324-L327 PolarHBondContact O-N 3.19Å; E325-L327 VanDerWaalsContact C-N 3.34Å; L327-I330 HydrophobicContact CD1-CD1 4.38Å; L327-I330 VanDerWaalsContact O-CG1 3.24Å; L327-I330 WeakPolarHBondContact O-CG1 3.41Å; L327-N331 PolarHBondContact O-N 3.22Å; L327-F332 HydrophobicContact CD1-CB 4.07Å; L327-F332 HydrophobicContact CD1-CD1 4.12Å; L327-F332 HydrophobicContact CD1-CG 4.49Å; L327-F332 HydrophobicContact CG-CB 4.39Å; L327-F332 PolarHBondContact O-N 2.87Å; L327-F332 VanDerWaalsContact O-N 3.12Å
328	E	81.9	Confident	86.7	Confident	127 Å²	127	44.9 Å²	44.9	59%	0.593	22%	0.219	S	C	*	.	H	α-helix	trans	-73.7	-38.8	175.2	-62.8	-173.2	151.9	0	0	112.4	M324 E325 Q326 I330 N331	M324-E328 PolarHBondContact O-N 3.08Å; M324-E328 VanDerWaalsContact O-N 3.12Å; E325-E328 PolarHBondContact O-N 3.01Å; Q326-E328 VanDerWaalsContact C-N 3.32Å; E328-I330 VanDerWaalsContact C-N 3.28Å; E328-I330 PolarHBondContact O-N 2.9Å; E328-N331 VanDerWaalsContact O-CA 3.24Å; E328-N331 WeakPolarHBondContact O-CA 3.3Å; E328-N331 PolarHBondContact O-N 3.12Å
329	K	83.1	Confident	86.7	Confident	129 Å²	129	48.3 Å²	48.3	56%	0.561	23%	0.23	S	C	*	.	H	α-helix	trans	-63	-30.6	174.3	-71	159.6	-164.7	168.5	0	112.6	E325 Q326 N331	E325-K329 WeakPolarHBondContact O-CD 3.48Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 3.35Å; E325-K329 IonicContact OE2-NZ 3.62Å; E325-K329 PolarHBondContact OE2-NZ 2.72Å; Q326-K329 PolarHBondContact O-N 2.95Å; K329-N331 VanDerWaalsContact C-N 3.32Å
330	I	80.9	Confident	86.3	Confident	74 Å²	74	50.9 Å²	50.9	38%	0.379	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	1.3	168.2	70.5	174.4	0	0	0	113.8	Q326 L327 E328 F332	Q326-I330 WeakPolarHBondContact O-CG1 3.22Å; Q326-I330 PolarHBondContact O-N 3.21Å; Q326-I330 VanDerWaalsContact O-N 3.15Å; L327-I330 HydrophobicContact CD1-CD1 4.38Å; L327-I330 VanDerWaalsContact O-CG1 3.24Å; L327-I330 WeakPolarHBondContact O-CG1 3.41Å; E328-I330 VanDerWaalsContact C-N 3.28Å; E328-I330 PolarHBondContact O-N 2.9Å; I330-F332 HydrophobicContact CD1-CB 4.11Å; I330-F332 HydrophobicContact CG1-CB 4.01Å; I330-F332 PolarHBondContact O-N 3.45Å
331	N	83.1	Confident	85.4	Confident	64 Å²	64	52.4 Å²	52.4	34%	0.342	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	37.7	-177.4	-161.9	19.9	0	0	0	114.8	L327 E328 K329 R333	L327-N331 PolarHBondContact O-N 3.22Å; E328-N331 VanDerWaalsContact O-CA 3.24Å; E328-N331 WeakPolarHBondContact O-CA 3.3Å; E328-N331 PolarHBondContact O-N 3.12Å; K329-N331 VanDerWaalsContact C-N 3.32Å; N331-R333 PolarHBondContact O-N 3.25Å; N331-R333 VanDerWaalsContact O-N 3.07Å; N331-R333 PolarHBondContact OD1-NE 2.83Å
332	F	87.6	Confident	84.3	Confident	9 Å²	9	53.9 Å²	53.9	4%	0.039	26%	0.263	C	S	.	.			trans	-80.7	91.7	178.7	-173.7	-96.3	0	0	0	110.4	I241 A242 H279 Y292 I317 L327 I330 H355 V357	I241-F332 HydrophobicContact CG2-CE2 4.44Å; A242-F332 HydrophobicContact CB-CD2 4.44Å; H279-F332 PolarHBondContact NE2-O 2.88Å; Y292-F332 HydrophobicContact CD1-CD1 4.24Å; Y292-F332 HydrophobicContact CD1-CE1 4.46Å; Y292-F332 AromaticContact CE1-CD1 3.62Å; Y292-F332 HydrophobicContact CE1-CD1 3.62Å; Y292-F332 AromaticContact CE1-CD2 3.99Å; Y292-F332 HydrophobicContact CE1-CD2 3.99Å; Y292-F332 AromaticContact CE1-CE1 3.72Å; Y292-F332 HydrophobicContact CE1-CE1 3.72Å; Y292-F332 HydrophobicContact CE1-CE2 4.09Å; Y292-F332 AromaticContact CE1-CG 3.76Å; Y292-F332 HydrophobicContact CE1-CG 3.76Å; Y292-F332 AromaticContact CE1-CZ 3.96Å; Y292-F332 HydrophobicContact CE1-CZ 3.96Å; Y292-F332 AromaticContact CZ-CE1 3.95Å; Y292-F332 AromaticContact CZ-CZ 3.79Å; Y292-F332 VanDerWaalsContact OH-CE2 3.22Å; Y292-F332 WeakPolarHBondContact OH-CE2 3.17Å; Y292-F332 VanDerWaalsContact OH-CZ 3.29Å; Y292-F332 WeakPolarHBondContact OH-CZ 3.29Å; I317-F332 HydrophobicContact CD1-CD1 4.06Å; I317-F332 HydrophobicContact CD1-CE1 4.05Å; I317-F332 HydrophobicContact CG2-CE1 4.14Å; L327-F332 HydrophobicContact CD1-CB 4.07Å; L327-F332 HydrophobicContact CD1-CD1 4.12Å; L327-F332 HydrophobicContact CD1-CG 4.49Å; L327-F332 HydrophobicContact CG-CB 4.39Å; L327-F332 PolarHBondContact O-N 2.87Å; L327-F332 VanDerWaalsContact O-N 3.12Å; I330-F332 HydrophobicContact CD1-CB 4.11Å; I330-F332 HydrophobicContact CG1-CB 4.01Å; I330-F332 PolarHBondContact O-N 3.45Å; F332-H355 AromaticContact CZ-CE1 3.66Å; F332-V357 HydrophobicContact CZ-CG1 4.34Å; F332-V357 HydrophobicContact CZ-CG2 4.26Å
333	R	89.4	Confident	82.5	Confident	94 Å²	94	54 Å²	54	36%	0.355	27%	0.274	S	S	.	.			trans	-78.8	154.5	176.9	-63.4	-71.8	171	165	-8.3	112.1	N331 H355	N331-R333 PolarHBondContact O-N 3.25Å; N331-R333 VanDerWaalsContact O-N 3.07Å; N331-R333 PolarHBondContact OD1-NE 2.83Å; R333-H355 PolarHBondContact O-CE1 2.78Å
334	C	92.3	Very high	80.7	Confident	6 Å²	6	65.9 Å²	65.9	4%	0.041	32%	0.319	C	S	.	.			trans	-74.5	176.6	177.7	-162.4	0	0	0	0	112.4	G277 E278 H279 P336	G277-C334 WeakPolarHBondContact O-CB 3.34Å; G277-C334 PolarHBondContact O-N 3.34Å; E278-C334 WeakPolarHBondContact O-CB 3.26Å; H279-C334 WeakPolarHBondContact ND1-CB 3.47Å; H279-C334 PolarHBondContact NE2-N 3.02Å; C334-P336 WeakPolarHBondContact O-CD 3.45Å
335	K	91.5	Very high	78.4	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.017	35%	0.352	C	S	.	.			trans	-58.4	124.6	168.6	65.5	179.8	-174.3	-176.7	0	109.5	G314 S337 H355 W391 M502 W503 L505	G314-K335 VanDerWaalsContact O-CD 3.3Å; G314-K335 WeakPolarHBondContact O-CD 3.17Å; G314-K335 WeakPolarHBondContact O-CE 3.29Å; G314-K335 PolarHBondContact O-NZ 3.25Å; K335-S337 PolarHBondContact O-N 3.13Å; K335-H355 HydrophobicContact CB-CB 3.99Å; K335-H355 PolarHBondContact N-CD2 2.85Å; K335-H355 VanDerWaalsContact N-CD2 3.31Å; K335-H355 PolarHBondContact N-NE2 2.79Å; K335-W391 HydrophobicContact CB-CZ2 4.11Å; K335-W391 HydrophobicContact CD-CD2 4.2Å; K335-W391 HydrophobicContact CD-CE3 4.3Å; K335-W391 HydrophobicContact CD-CH2 4.07Å; K335-W391 HydrophobicContact CD-CZ2 3.96Å; K335-W391 HydrophobicContact CD-CZ3 4.25Å; K335-W391 HydrophobicContact CG-CZ2 4.14Å; K335-M502 PolarHBondContact NZ-O 2.79Å; K335-W503 PolarHBondContact NZ-O 3.36Å; K335-L505 PolarHBondContact NZ-O 3.18Å
336	P	90.7	Very high	76.5	Confident	28 Å²	28	69.4 Å²	69.4	18%	0.182	36%	0.36	C	S	.	.			trans	-64.6	129.2	-179.2	-23.6	34	0	0	0	111.8	Y276 C334 W391 P424	Y276-P336 HydrophobicContact CD2-CB 4.24Å; Y276-P336 HydrophobicContact CE1-CB 4.19Å; Y276-P336 HydrophobicContact CE1-CG 3.84Å; Y276-P336 HydrophobicContact CE2-CB 3.59Å; Y276-P336 HydrophobicContact CE2-CG 4.12Å; Y276-P336 WeakPolarHBondContact OH-CG 3.49Å; C334-P336 WeakPolarHBondContact O-CD 3.45Å; P336-W391 WeakPolarHBondContact O-CZ2 3.29Å; P336-P424 WeakPolarHBondContact O-CB 3.47Å
337	S	91.6	Very high	74.7	Confident	18 Å²	18	78.9 Å²	78.9	13%	0.126	39%	0.394	C	S	.	.	S	Bend	trans	-90.3	-12	179.5	55.7	0	0	0	0	114.3	K335 N506 R508	K335-S337 PolarHBondContact O-N 3.13Å; S337-N506 WeakPolarHBondContact CA-OD1 3.16Å; S337-N506 WeakPolarHBondContact CB-OD1 3.32Å; S337-N506 PolarHBondContact O-ND2 3.08Å; S337-N506 PolarHBondContact O-OD1 3.4Å; S337-R508 PolarHBondContact OG-NE 2.87Å; S337-R508 VanDerWaalsContact OG-NE 3.1Å
338	F	91.6	Very high	73	Confident	1 Å²	1	83 Å²	83	0%	0.004	41%	0.413	C	S	.	.	S	Bend	trans	-150.1	169.5	-179.7	65.5	-83.3	0	0	0	110	Q275 Y276 E340 P424 I427 R429 F468	Q275-F338 WeakPolarHBondContact O-CE1 3.42Å; Y276-F338 HydrophobicContact CD2-CE2 4.44Å; Y276-F338 VanDerWaalsContact CE2-O 3.28Å; Y276-F338 WeakPolarHBondContact CE2-O 3.37Å; F338-E340 HydrophobicContact CE2-CG 4.16Å; F338-P424 CarbonylContact C-O 3.57Å; F338-P424 WeakPolarHBondContact CA-O 3.22Å; F338-I427 WeakPolarHBondContact CA-O 3.17Å; F338-I427 HydrophobicContact CB-CB 4.04Å; F338-I427 HydrophobicContact CB-CG2 3.74Å; F338-I427 WeakPolarHBondContact CB-O 3.23Å; F338-R429 HydrophobicContact CD2-CB 3.73Å; F338-R429 HydrophobicContact CE2-CB 3.71Å; F338-R429 HydrophobicContact CE2-CG 4.37Å; F338-F468 HydrophobicContact CB-CE1 4.03Å; F338-F468 HydrophobicContact CD1-CE1 4.13Å; F338-F468 HydrophobicContact CD1-CZ 4.49Å; F338-F468 AromaticContact CD2-CE1 3.89Å; F338-F468 HydrophobicContact CD2-CE1 3.89Å; F338-F468 HydrophobicContact CE2-CE1 4.37Å; F338-F468 AromaticContact CG-CE1 3.76Å; F338-F468 HydrophobicContact CG-CE1 3.76Å; F338-F468 HydrophobicContact CG-CZ 4.5Å
339	R	88.1	Confident	71.7	Confident	77 Å²	77	80.5 Å²	80.5	29%	0.291	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-104.4	143.6	167.4	62.5	163.3	162.9	-162.7	-14.2	112.8	N350 P424 T425 I427 I428 R429	R339-N350 PolarHBondContact NH1-OD1 3.5Å; R339-N350 PolarHBondContact NH2-OD1 2.92Å; R339-P424 PolarHBondContact N-O 3.04Å; R339-P424 VanDerWaalsContact N-O 3.08Å; R339-T425 PolarHBondContact NE-O 2.96Å; R339-T425 PolarHBondContact NH2-O 2.91Å; R339-I427 PolarHBondContact N-O 2.98Å; R339-I428 HydrophobicContact CG-CG1 4.16Å; R339-R429 PolarHBondContact O-N 3.27Å
340	E	81.4	Confident	71	Confident	54 Å²	54	78.1 Å²	78.1	25%	0.252	41%	0.407	S	S	.	.			trans	-77.3	153.2	169.6	-61.4	-137.1	137.7	0	0	111.6	Y276 F338 V342 R429	Y276-E340 HydrophobicContact CD2-CG 3.9Å; Y276-E340 HydrophobicContact CG-CG 4.28Å; F338-E340 HydrophobicContact CE2-CG 4.16Å; E340-V342 PolarHBondContact O-N 2.84Å; E340-V342 VanDerWaalsContact O-N 3.17Å; E340-R429 IonicContact OE1-NH1 3.08Å; E340-R429 PolarHBondContact OE1-NH1 3.06Å
341	P	67.7	Low	71	Confident	54 Å²	54	77.5 Å²	77.5	35%	0.351	41%	0.407	S	S	.	.			trans	-80	97.6	177.5	31.8	-31.8	0	0	0	110.3	S343 R429 R431	P341-S343 PolarHBondContact O-N 2.88Å; P341-R429 VanDerWaalsContact CD-O 3.29Å; P341-R429 WeakPolarHBondContact CD-O 3.44Å; P341-R429 WeakPolarHBondContact CG-O 3.45Å; P341-R431 HydrophobicContact CG-CG 4.28Å
342	V	62.1	Low	71.2	Confident	89 Å²	89	75.3 Å²	75.3	54%	0.539	40%	0.396	S	S	.	.			trans	-63.3	130.4	-178.6	-175.1	0	0	0	0	111.5	E340 R344	E340-V342 PolarHBondContact O-N 2.84Å; E340-V342 VanDerWaalsContact O-N 3.17Å; V342-R344 PolarHBondContact O-N 2.73Å
343	S	45.8	Very low	71.2	Confident	108 Å²	108	79.5 Å²	79.5	76%	0.755	41%	0.412	S	S	*	.			trans	-62.7	130.3	171.1	-68.9	0	0	0	0	111	P341 A345	P341-S343 PolarHBondContact O-N 2.88Å; S343-A345 PolarHBondContact O-N 2.99Å
344	R	47.7	Very low	71.3	Confident	250 Å²	250	75.6 Å²	75.6	94%	0.943	40%	0.397	S	S	*	.	S	Bend	trans	-26.6	119.1	-179.2	-62.8	172	176	154	-3.4	115.3	V342	V342-R344 PolarHBondContact O-N 2.73Å
345	A	39.4	Very low	71.3	Confident	101 Å²	101	76.4 Å²	76.4	84%	0.835	40%	0.401	S	S	*	.	S	Bend	trans	167.6	-26.4	131.5	0	0	0	0	0	113.9	S343	S343-A345 PolarHBondContact O-N 2.99Å
346	V	43	Very low	71.3	Confident	116 Å²	116	76.3 Å²	76.3	70%	0.703	40%	0.4	S	S	*	.			trans	-92.4	131.9	-176.7	-174.8	0	0	0	0	111.1	E348	V346-E348 HydrophobicContact CB-CG 4.5Å; V346-E348 HydrophobicContact CG1-CG 3.98Å; V346-E348 PolarHBondContact O-N 2.86Å
347	R	45.3	Very low	71.3	Confident	249 Å²	249	75 Å²	75	94%	0.94	39%	0.391	S	S	*	.			trans	-78.3	68.8	166.9	-71.7	-176.7	177.3	175.8	-0.5	109.9	A349	R347-A349 PolarHBondContact O-N 2.97Å
348	E	49.3	Very low	71.1	Confident	91 Å²	91	74.5 Å²	74.5	43%	0.425	39%	0.387	S	S	.	.			trans	-62.1	125	166.9	-70	-156.2	109.1	0	0	109.2	V346 R353	V346-E348 HydrophobicContact CB-CG 4.5Å; V346-E348 HydrophobicContact CG1-CG 3.98Å; V346-E348 PolarHBondContact O-N 2.86Å; E348-R353 IonicContact OE1-NH2 3.51Å
349	A	53.4	Low	70.8	Confident	75 Å²	75	75.7 Å²	75.7	62%	0.62	39%	0.392	S	S	*	.			trans	-63.2	154.9	173.3	0	0	0	0	0	110.1	R347 V351	R347-A349 PolarHBondContact O-N 2.97Å; A349-V351 HydrophobicContact CB-CG2 3.74Å; A349-V351 PolarHBondContact O-N 2.89Å
350	N	70.3	Confident	70.4	Confident	78 Å²	78	74.2 Å²	74.2	42%	0.417	39%	0.386	S	S	.	.	S	Bend	trans	-74.7	46.9	177.4	-66.9	-64.9	0	0	0	112.2	R339 L473	R339-N350 PolarHBondContact NH1-OD1 3.5Å; R339-N350 PolarHBondContact NH2-OD1 2.92Å; N350-L473 HydrophobicContact CB-CD1 4.06Å
351	V	79.8	Confident	70.2	Confident	61 Å²	61	78.4 Å²	78.4	37%	0.37	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-87.3	135.2	-175.2	165.2	0	0	0	0	110.5	A349 R353 C411	A349-V351 HydrophobicContact CB-CG2 3.74Å; A349-V351 PolarHBondContact O-N 2.89Å; V351-R353 HydrophobicContact CG1-CG 4.49Å; V351-C411 HydrophobicContact CG1-CB 3.96Å; V351-C411 WeakPolarHBondContact CG1-SG 3.31Å
352	V	86.8	Confident	71	Confident	18 Å²	18	77.6 Å²	77.6	11%	0.109	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-88.8	128.3	163.9	-175.3	0	0	0	0	107.9	W391 C412 L414 P423 P424 T425	V352-W391 HydrophobicContact CG1-CG 4.45Å; V352-C412 HydrophobicContact CB-CB 4.47Å; V352-C412 HydrophobicContact CG1-CB 4.31Å; V352-C412 VanDerWaalsContact O-CB 3.3Å; V352-C412 WeakPolarHBondContact O-CB 3.05Å; V352-C412 PolarHBondContact O-N 3.36Å; V352-L414 HydrophobicContact CB-CD2 4.37Å; V352-L414 HydrophobicContact CG1-CD2 3.97Å; V352-L414 HydrophobicContact CG2-CD2 4.32Å; V352-P423 HydrophobicContact CG2-CB 4.07Å; V352-P424 HydrophobicContact CG1-CG 4.27Å; V352-P424 HydrophobicContact CG2-CG 4.3Å; V352-T425 HydrophobicContact CG2-CG2 4.37Å
353	R	88.1	Confident	71.9	Confident	98 Å²	98	78.4 Å²	78.4	37%	0.37	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-89.7	157.3	174	-58.9	-170.2	-168.4	-157.1	7.8	111.3	Q247 E348 V351	Q247-R353 VanDerWaalsContact OE1-CZ 3.26Å; E348-R353 IonicContact OE1-NH2 3.51Å; V351-R353 HydrophobicContact CG1-CG 4.49Å
354	H	90.8	Very high	73.7	Confident	12 Å²	12	75.8 Å²	75.8	6%	0.056	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-67.5	133.5	175.3	-77.5	-117	0	0	0	111.3	W356 C392 C412	H354-W356 HydrophobicContact CB-CD2 4.11Å; H354-W356 HydrophobicContact CB-CG 4.34Å; H354-W356 HydrophobicContact CB-CZ2 3.81Å; H354-W356 AromaticContact CE1-CH2 3.67Å; H354-W356 AromaticContact CE1-CZ2 3.6Å; H354-W356 AromaticContact CG-CE2 3.78Å; H354-W356 AromaticContact CG-CZ2 3.51Å; H354-W356 AromaticContact ND1-CE2 3.61Å; H354-W356 AromaticContact ND1-CH2 3.15Å; H354-W356 WeakPolarHBondContact ND1-CH2 3.48Å; H354-W356 AromaticContact ND1-CZ2 2.96Å; H354-W356 WeakPolarHBondContact ND1-CZ2 3.4Å; H354-W356 AromaticContact ND1-CZ3 3.98Å; H354-C392 PolarHBondContact CE1-SG 3.22Å; H354-C412 VanDerWaalsContact CD2-CA 3.41Å; H354-C412 WeakPolarHBondContact CD2-CA 3.31Å; H354-C412 WeakPolarHBondContact CD2-CB 3.5Å; H354-C412 VanDerWaalsContact NE2-CA 3.35Å; H354-C412 WeakPolarHBondContact NE2-CA 3.35Å
355	H	92.3	Very high	75.7	Confident	23 Å²	23	71.8 Å²	71.8	11%	0.106	38%	0.376	C	S	.	.			trans	-99.9	86.7	165.5	179	51.4	0	0	0	109	F332 R333 K335 C389 S390	F332-H355 AromaticContact CZ-CE1 3.66Å; R333-H355 PolarHBondContact O-CE1 2.78Å; K335-H355 HydrophobicContact CB-CB 3.99Å; K335-H355 PolarHBondContact N-CD2 2.85Å; K335-H355 VanDerWaalsContact N-CD2 3.31Å; K335-H355 PolarHBondContact N-NE2 2.79Å; H355-C389 WeakPolarHBondContact O-CA 3.36Å; H355-S390 PolarHBondContact CD2-OG 2.9Å; H355-S390 PolarHBondContact O-N 3.22Å
356	W	92.1	Very high	78	Confident	1 Å²	1	67 Å²	67	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.3	177	-63.5	119.1	0	0	0	111.4	I241 H354 I387 C389 Y396 F403 Q407	I241-W356 HydrophobicContact CD1-CB 4.07Å; I241-W356 HydrophobicContact CG1-CB 4.04Å; I241-W356 HydrophobicContact CG2-CB 3.91Å; I241-W356 VanDerWaalsContact CG2-O 3.23Å; I241-W356 WeakPolarHBondContact CG2-O 3.4Å; H354-W356 HydrophobicContact CB-CD2 4.11Å; H354-W356 HydrophobicContact CB-CG 4.34Å; H354-W356 HydrophobicContact CB-CZ2 3.81Å; H354-W356 AromaticContact CE1-CH2 3.67Å; H354-W356 AromaticContact CE1-CZ2 3.6Å; H354-W356 AromaticContact CG-CE2 3.78Å; H354-W356 AromaticContact CG-CZ2 3.51Å; H354-W356 AromaticContact ND1-CE2 3.61Å; H354-W356 AromaticContact ND1-CH2 3.15Å; H354-W356 WeakPolarHBondContact ND1-CH2 3.48Å; H354-W356 AromaticContact ND1-CZ2 2.96Å; H354-W356 WeakPolarHBondContact ND1-CZ2 3.4Å; H354-W356 AromaticContact ND1-CZ3 3.98Å; W356-I387 HydrophobicContact CB-CG2 3.99Å; W356-I387 HydrophobicContact CD2-CG2 4.25Å; W356-I387 HydrophobicContact CE3-CG2 3.94Å; W356-I387 HydrophobicContact CG-CG2 4.31Å; W356-C389 HydrophobicContact CD2-CB 4.43Å; W356-C389 HydrophobicContact CE3-CB 3.73Å; W356-C389 HydrophobicContact CH2-CB 4.04Å; W356-C389 HydrophobicContact CZ3-CB 3.51Å; W356-Y396 HydrophobicContact CH2-CD2 4Å; W356-Y396 AromaticContact CH2-CE2 3.6Å; W356-Y396 HydrophobicContact CH2-CE2 3.6Å; W356-Y396 AromaticContact CZ3-CD2 3.94Å; W356-Y396 HydrophobicContact CZ3-CD2 3.94Å; W356-Y396 AromaticContact CZ3-CE2 3.96Å; W356-Y396 HydrophobicContact CZ3-CE2 3.96Å; W356-F403 AromaticContact CD1-CZ 3.96Å; W356-F403 AromaticContact CD2-CE2 3.82Å; W356-F403 HydrophobicContact CD2-CE2 3.82Å; W356-F403 AromaticContact CD2-CZ 3.99Å; W356-F403 HydrophobicContact CD2-CZ 3.99Å; W356-F403 AromaticContact CE2-CE2 3.68Å; W356-F403 AromaticContact CE2-CZ 3.94Å; W356-F403 HydrophobicContact CE3-CE2 4.1Å; W356-F403 HydrophobicContact CG-CE2 4.36Å; W356-F403 HydrophobicContact CG-CZ 4.04Å; W356-F403 HydrophobicContact CH2-CE2 4.25Å; W356-F403 AromaticContact CZ2-CE2 3.91Å; W356-F403 HydrophobicContact CZ2-CE2 3.91Å; W356-F403 HydrophobicContact CZ3-CE2 4.3Å; W356-F403 AromaticContact NE1-CZ 3.87Å; W356-Q407 HydrophobicContact CZ2-CB 4.45Å; W356-Q407 WeakPolarHBondContact CZ2-O 3.17Å; W356-Q407 PolarHBondContact NE1-O 2.95Å
357	V	90.5	Very high	80.3	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.4	179.6	-172.7	0	0	0	0	109.2	Y292 C315 I317 F332 S388 S390	Y292-V357 HydrophobicContact CE2-CG1 3.86Å; C315-V357 HydrophobicContact CB-CG2 4.36Å; I317-V357 HydrophobicContact CG2-CG1 3.61Å; F332-V357 HydrophobicContact CZ-CG1 4.34Å; F332-V357 HydrophobicContact CZ-CG2 4.26Å; V357-S388 PolarHBondContact N-O 2.79Å; V357-S388 PolarHBondContact O-N 3.48Å; V357-S390 WeakPolarHBondContact CG2-OG 3.38Å
358	H	87.6	Confident	82.3	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134	174.9	-69.9	-88.4	0	0	0	111.2	L238 I241 Y292 I384	L238-H358 HydrophobicContact CD2-CB 4.34Å; L238-H358 WeakPolarHBondContact CD2-CD2 3.25Å; I241-H358 WeakPolarHBondContact CD1-NE2 3.24Å; Y292-H358 HydrophobicContact CE2-CB 4.21Å; Y292-H358 WeakPolarHBondContact CE2-O 3.43Å; H358-I384 HydrophobicContact CB-CD1 3.98Å; H358-I384 HydrophobicContact CB-CG1 4.34Å; H358-I384 HydrophobicContact CB-CG2 3.75Å
359	R	86	Confident	84.1	Confident	25 Å²	25	60.3 Å²	60.3	9%	0.094	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.5	-175.6	-58.1	-70.6	177.6	-165.5	-11	110.7	C315 K316 Q362 V385 A386 S388	C315-R359 PolarHBondContact O-NH1 2.82Å; C315-R359 PolarHBondContact O-NH2 3.18Å; K316-R359 PolarHBondContact O-NH1 2.89Å; R359-Q362 HydrophobicContact CB-CB 4.2Å; R359-V385 PolarHBondContact O-N 2.92Å; R359-A386 HydrophobicContact CB-CB 4.23Å; R359-A386 PolarHBondContact N-O 2.82Å; R359-A386 PolarHBondContact O-N 2.99Å; R359-A386 VanDerWaalsContact O-N 3.13Å; R359-S388 VanDerWaalsContact CG-OG 3.27Å; R359-S388 WeakPolarHBondContact CG-OG 3.31Å; R359-S388 PolarHBondContact NE-OG 2.89Å
360	R	79.1	Confident	85.7	Confident	46 Å²	46	59 Å²	59	17%	0.174	30%	0.299	C	S	.	.	S	Bend	trans	-84.8	-20.9	167.2	-55.9	-170.7	-160.8	177.4	9.1	112.7	C291 I384 V385	C291-R360 PolarHBondContact O-NH2 3.4Å; R360-I384 HydrophobicContact CG-CG1 4.37Å; R360-V385 WeakPolarHBondContact O-CG2 3.5Å
361	R	78.3	Confident	86.5	Confident	143 Å²	143	61 Å²	61	54%	0.54	30%	0.303	S	S	.	.	S	Bend	trans	-132.3	130	171.5	-64.9	-178.6	177.3	-169.2	-2.4	108.5
362	Q	82.8	Confident	86.8	Confident	36 Å²	36	59.7 Å²	59.7	17%	0.168	30%	0.303	C	S	.	.			trans	-149	136.8	179	177.3	62.2	63	0	0	108	R359 F373 A386 S388 A395	R359-Q362 HydrophobicContact CB-CB 4.2Å; Q362-F373 HydrophobicContact CB-CD1 4.44Å; Q362-F373 HydrophobicContact CB-CD2 4.18Å; Q362-F373 HydrophobicContact CB-CG 4.1Å; Q362-F373 HydrophobicContact CG-CD1 4.31Å; Q362-F373 HydrophobicContact CG-CD2 3.55Å; Q362-F373 HydrophobicContact CG-CE1 4.36Å; Q362-F373 HydrophobicContact CG-CE2 3.61Å; Q362-F373 HydrophobicContact CG-CG 3.94Å; Q362-F373 HydrophobicContact CG-CZ 4.04Å; Q362-F373 WeakPolarHBondContact O-CB 3.2Å; Q362-A386 HydrophobicContact CB-CB 3.74Å; Q362-A386 HydrophobicContact CG-CB 3.89Å; Q362-S388 PolarHBondContact OE1-OG 3.05Å; Q362-A395 HydrophobicContact CG-CB 3.99Å
363	T	80.8	Confident	86.6	Confident	106 Å²	106	59.6 Å²	59.6	65%	0.65	30%	0.301	S	S	*	.			trans	-98.7	165.1	175.1	49.1	0	0	0	0	110.9
364	G	85.4	Confident	85.7	Confident	54 Å²	54	61.2 Å²	61.2	56%	0.557	31%	0.312	S	S	*	.	S	Bend	trans	85.9	-158	179.4	0	0	0	0	0	114.9	G372 F373	G364-G372 WeakPolarHBondContact O-CA 3.31Å; G364-F373 VanDerWaalsContact O-CD2 3.31Å; G364-F373 WeakPolarHBondContact O-CD2 3.36Å; G364-F373 PolarHBondContact O-N 3.34Å
365	K	88.8	Confident	84.2	Confident	165 Å²	165	65.6 Å²	65.6	72%	0.717	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-113.4	145.8	-173.8	-64.5	174.8	-175.9	174.5	0	110.8	G370	K365-G370 WeakPolarHBondContact CB-O 3.45Å; K365-G370 WeakPolarHBondContact CG-O 3.47Å
366	C	88.8	Confident	82.2	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.007	35%	0.349	C	S	.	.			trans	-71.1	127.5	173	171.7	0	0	0	0	110.6	Q368 C369 G370 K371 F373 A395 H397	C366-Q368 VanDerWaalsContact C-N 3.34Å; C366-Q368 PolarHBondContact O-N 3.21Å; C366-C369 PolarHBondContact O-N 3.33Å; C366-G370 WeakPolarHBondContact O-CA 3.28Å; C366-G370 PolarHBondContact O-N 2.81Å; C366-K371 WeakPolarHBondContact CB-O 3.34Å; C366-K371 PolarHBondContact N-O 3Å; C366-F373 HydrophobicContact CB-CE1 4.2Å; C366-F373 HydrophobicContact CB-CZ 3.93Å; C366-A395 WeakPolarHBondContact CA-O 3.42Å; C366-H397 WeakPolarHBondContact CB-CE1 3.3Å; C366-H397 WeakPolarHBondContact CB-ND1 3.03Å; C366-H397 PolarHBondContact SG-N 2.86Å; C366-H397 VanDerWaalsContact SG-N 3.39Å; C366-H397 PolarHBondContact SG-ND1 3.25Å; C366-H397 VanDerWaalsContact SG-ND1 3.43Å
367	R	89.3	Confident	80	Confident	171 Å²	171	74.3 Å²	74.3	65%	0.645	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.4	-174.3	-179.1	166.6	172.5	108.7	-1.8	113.6	A395 Y396	R367-A395 PolarHBondContact N-O 3.5Å; R367-Y396 HydrophobicContact CB-CD1 4.3Å; R367-Y396 HydrophobicContact CB-CE1 3.73Å; R367-Y396 HydrophobicContact CB-CE2 4.5Å; R367-Y396 WeakPolarHBondContact CD-OH 3.37Å; R367-Y396 HydrophobicContact CG-CE1 4.2Å
368	Q	88.3	Confident	77.8	Confident	106 Å²	106	78.2 Å²	78.2	50%	0.495	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-33.5	-179.9	-171.8	61.6	22.2	0	0	113.9	C366 Y396 C402	C366-Q368 VanDerWaalsContact C-N 3.34Å; C366-Q368 PolarHBondContact O-N 3.21Å; Q368-Y396 HydrophobicContact CB-CD1 3.81Å; Q368-Y396 HydrophobicContact CB-CE1 3.96Å; Q368-C402 WeakPolarHBondContact CB-O 3.49Å
369	C	87.5	Confident	75.8	Confident	39 Å²	39	83.9 Å²	83.9	26%	0.264	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	6.6	-167.4	77.1	0	0	0	0	115.1	C366 K371 H397	C366-C369 PolarHBondContact O-N 3.33Å; C369-K371 HydrophobicContact CB-CD 4.48Å; C369-K371 WeakPolarHBondContact O-CG 3.41Å; C369-K371 PolarHBondContact O-N 2.9Å; C369-H397 VanDerWaalsContact SG-CE1 3.56Å; C369-H397 PolarHBondContact SG-ND1 3.37Å
370	G	87.1	Confident	73.9	Confident	47 Å²	47	89 Å²	89	49%	0.485	44%	0.444	S	S	.	.			trans	66.6	-18.8	177.6	0	0	0	0	0	116	K365 C366	K365-G370 WeakPolarHBondContact CB-O 3.45Å; K365-G370 WeakPolarHBondContact CG-O 3.47Å; C366-G370 WeakPolarHBondContact O-CA 3.28Å; C366-G370 PolarHBondContact O-N 2.81Å
371	K	87.2	Confident	72.6	Confident	120 Å²	120	88.4 Å²	88.4	52%	0.522	45%	0.447	S	S	.	.			trans	-72.6	135.5	-173.7	-68.7	148.7	-171.4	168.1	0	110.6	C366 C369 H397	C366-K371 WeakPolarHBondContact CB-O 3.34Å; C366-K371 PolarHBondContact N-O 3Å; C369-K371 HydrophobicContact CB-CD 4.48Å; C369-K371 WeakPolarHBondContact O-CG 3.41Å; C369-K371 PolarHBondContact O-N 2.9Å; K371-H397 PolarHBondContact O-CE1 3.11Å
372	G	85.2	Confident	71.7	Confident	34 Å²	34	87.4 Å²	87.4	35%	0.351	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-57.2	153.1	173.1	0	0	0	0	0	112.9	G364 Q374 H397	G364-G372 WeakPolarHBondContact O-CA 3.31Å; G372-Q374 PolarHBondContact O-N 3.27Å; G372-Q374 VanDerWaalsContact O-N 3.12Å; G372-H397 PolarHBondContact O-NE2 2.79Å
373	F	82.8	Confident	71	Confident	16 Å²	16	90.8 Å²	90.8	7%	0.07	46%	0.462	C	S	.	.			trans	-69.3	106.3	170.7	-64.7	-74.7	0	0	0	109.5	Q362 G364 C366 Q375 A386 A395 H397	Q362-F373 HydrophobicContact CB-CD1 4.44Å; Q362-F373 HydrophobicContact CB-CD2 4.18Å; Q362-F373 HydrophobicContact CB-CG 4.1Å; Q362-F373 HydrophobicContact CG-CD1 4.31Å; Q362-F373 HydrophobicContact CG-CD2 3.55Å; Q362-F373 HydrophobicContact CG-CE1 4.36Å; Q362-F373 HydrophobicContact CG-CE2 3.61Å; Q362-F373 HydrophobicContact CG-CG 3.94Å; Q362-F373 HydrophobicContact CG-CZ 4.04Å; Q362-F373 WeakPolarHBondContact O-CB 3.2Å; G364-F373 VanDerWaalsContact O-CD2 3.31Å; G364-F373 WeakPolarHBondContact O-CD2 3.36Å; G364-F373 PolarHBondContact O-N 3.34Å; C366-F373 HydrophobicContact CB-CE1 4.2Å; C366-F373 HydrophobicContact CB-CZ 3.93Å; F373-Q375 PolarHBondContact O-N 2.98Å; F373-A386 HydrophobicContact CD1-CB 3.62Å; F373-A386 HydrophobicContact CE1-CB 3.4Å; F373-A386 HydrophobicContact CZ-CB 4.13Å; F373-A395 HydrophobicContact CE2-CB 3.73Å; F373-A395 HydrophobicContact CZ-CB 3.52Å; F373-H397 AromaticContact CD1-CD2 3.41Å; F373-H397 VanDerWaalsContact CD1-CD2 3.41Å; F373-H397 WeakPolarHBondContact CD1-CD2 3.39Å; F373-H397 AromaticContact CD1-NE2 3.61Å; F373-H397 AromaticContact CE1-CD2 3.53Å; F373-H397 AromaticContact CE1-NE2 3.86Å
374	Q	68.3	Low	70.8	Confident	132 Å²	132	87.7 Å²	87.7	62%	0.617	44%	0.441	S	S	*	.			trans	-69.7	96.3	-179.8	-70.7	-167	-79.4	0	0	110.2	G372 K376	G372-Q374 PolarHBondContact O-N 3.27Å; G372-Q374 VanDerWaalsContact O-N 3.12Å; Q374-K376 PolarHBondContact O-N 3.48Å; Q374-K376 VanDerWaalsContact O-N 3.09Å
375	Q	60.8	Low	70.6	Confident	103 Å²	103	86.9 Å²	86.9	48%	0.481	43%	0.425	S	S	.	.			trans	-58.9	113.7	161.8	-56.8	-172.4	23.9	0	0	107.4	K38 F373 F377	K38-Q375 WeakPolarHBondContact CE-O 3.49Å; K38-Q375 PolarHBondContact NZ-O 3.1Å; F373-Q375 PolarHBondContact O-N 2.98Å; Q375-F377 PolarHBondContact O-N 3.27Å
376	K	50.8	Low	70.6	Confident	102 Å²	102	79 Å²	79	44%	0.443	39%	0.391	S	S	.	.			trans	-74.3	116.2	161.8	-67.8	174.2	177	169.5	0	104.9	Q374 T378 E383	Q374-K376 PolarHBondContact O-N 3.48Å; Q374-K376 VanDerWaalsContact O-N 3.09Å; K376-T378 WeakPolarHBondContact CB-OG1 3.45Å; K376-T378 PolarHBondContact O-N 2.91Å; K376-T378 PolarHBondContact O-OG1 3.25Å; K376-E383 IonicContact NZ-OE1 2.7Å; K376-E383 PolarHBondContact NZ-OE1 3.19Å; K376-E383 IonicContact NZ-OE2 3.48Å; K376-E383 PolarHBondContact NZ-OE2 2.98Å
377	F	45.1	Very low	70.6	Confident	106 Å²	106	79 Å²	79	47%	0.465	39%	0.391	S	S	.	.			trans	-68.9	10.8	178	-81.5	-87.8	0	0	0	113.1	K38 Q375 F379	K38-F377 HydrophobicContact CD-CD2 4.19Å; K38-F377 HydrophobicContact CG-CD2 3.63Å; K38-F377 HydrophobicContact CG-CE2 3.89Å; Q375-F377 PolarHBondContact O-N 3.27Å; F377-F379 WeakPolarHBondContact O-CD2 3.44Å; F377-F379 PolarHBondContact O-N 3.32Å; F377-F379 VanDerWaalsContact O-N 3.11Å
378	T	43.9	Very low	70.8	Confident	82 Å²	82	71 Å²	71	50%	0.503	36%	0.361	S	S	.	.			trans	-62.3	106.9	157.3	44.3	0	0	0	0	109.2	K376 H380 S381	K376-T378 WeakPolarHBondContact CB-OG1 3.45Å; K376-T378 PolarHBondContact O-N 2.91Å; K376-T378 PolarHBondContact O-OG1 3.25Å; T378-H380 PolarHBondContact O-N 2.96Å; T378-S381 PolarHBondContact O-N 3.37Å; T378-S381 PolarHBondContact O-OG 3.3Å
379	F	45.5	Very low	71	Confident	128 Å²	128	65.9 Å²	65.9	56%	0.561	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-5.7	179	-77.2	-113.2	0	0	0	114.2	P35 F377	P35-F379 HydrophobicContact CB-CD2 4.31Å; P35-F379 HydrophobicContact CB-CE2 3.75Å; P35-F379 HydrophobicContact CB-CZ 4.47Å; P35-F379 HydrophobicContact CG-CD2 3.49Å; P35-F379 VanDerWaalsContact CG-CD2 3.49Å; P35-F379 HydrophobicContact CG-CE2 3.41Å; P35-F379 VanDerWaalsContact CG-CE2 3.41Å; P35-F379 HydrophobicContact CG-CZ 4.49Å; F377-F379 WeakPolarHBondContact O-CD2 3.44Å; F377-F379 PolarHBondContact O-N 3.32Å; F377-F379 VanDerWaalsContact O-N 3.11Å
380	H	46.1	Very low	71.2	Confident	133 Å²	133	64 Å²	64	62%	0.616	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	16.5	-178.9	-51.2	-34.3	0	0	0	114	T378 K382	T378-H380 PolarHBondContact O-N 2.96Å; H380-K382 WeakPolarHBondContact O-CG 3.37Å; H380-K382 PolarHBondContact O-N 2.72Å
381	S	52.6	Low	71.5	Confident	32 Å²	32	62 Å²	62	22%	0.224	30%	0.302	C	S	.	.			trans	-62.3	107.2	177.3	55	0	0	0	0	111.6	T378	T378-S381 PolarHBondContact O-N 3.37Å; T378-S381 PolarHBondContact O-OG 3.3Å
382	K	58.8	Low	71.7	Confident	122 Å²	122	56.7 Å²	56.7	53%	0.53	28%	0.281	S	S	.	.			trans	-78.4	-19.4	-176.9	-58.3	-176.9	-178.7	-172.9	0	114.1	E295 H380	E295-K382 WeakPolarHBondContact OE2-CD 3.35Å; E295-K382 VanDerWaalsContact OE2-CE 3.24Å; E295-K382 WeakPolarHBondContact OE2-CE 3.42Å; E295-K382 IonicContact OE2-NZ 2.69Å; E295-K382 PolarHBondContact OE2-NZ 2.81Å; H380-K382 WeakPolarHBondContact O-CG 3.37Å; H380-K382 PolarHBondContact O-N 2.72Å
383	E	68.8	Low	72.1	Confident	108 Å²	108	57.9 Å²	57.9	51%	0.505	28%	0.276	S	S	.	.	S	Bend	trans	-59.4	144.4	-172.9	-65.7	167.4	-171.3	0	0	113.3	K376 V385	K376-E383 IonicContact NZ-OE1 2.7Å; K376-E383 PolarHBondContact NZ-OE1 3.19Å; K376-E383 IonicContact NZ-OE2 3.48Å; K376-E383 PolarHBondContact NZ-OE2 2.98Å; E383-V385 PolarHBondContact O-N 3.04Å
384	I	76.7	Confident	72.5	Confident	41 Å²	41	58.6 Å²	58.6	21%	0.21	28%	0.28	C	S	.	.			trans	-79.9	110.6	164.9	-66	163.1	0	0	0	107.4	L238 H358 R360 A386 N398	L238-I384 HydrophobicContact CD1-CD1 4.04Å; L238-I384 HydrophobicContact CG-CD1 4.49Å; H358-I384 HydrophobicContact CB-CD1 3.98Å; H358-I384 HydrophobicContact CB-CG1 4.34Å; H358-I384 HydrophobicContact CB-CG2 3.75Å; R360-I384 HydrophobicContact CG-CG1 4.37Å; I384-A386 WeakPolarHBondContact CG2-O 3.43Å; I384-N398 HydrophobicContact CG2-CB 4.16Å; I384-N398 VanDerWaalsContact O-CB 3.25Å; I384-N398 WeakPolarHBondContact O-CB 3.44Å; I384-N398 PolarHBondContact O-ND2 2.98Å
385	V	80.9	Confident	73.6	Confident	37 Å²	37	52.6 Å²	52.6	22%	0.224	25%	0.253	C	S	.	.			trans	-85.7	-25.4	-176.1	-57.1	0	0	0	0	113.2	R359 R360 E383 N398	R359-V385 PolarHBondContact O-N 2.92Å; R360-V385 WeakPolarHBondContact O-CG2 3.5Å; E383-V385 PolarHBondContact O-N 3.04Å; V385-N398 PolarHBondContact O-N 2.69Å
386	A	87.2	Confident	75.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.5	-174.1	0	0	0	0	0	113.8	R359 Q362 F373 I384 Y396	R359-A386 HydrophobicContact CB-CB 4.23Å; R359-A386 PolarHBondContact N-O 2.82Å; R359-A386 PolarHBondContact O-N 2.99Å; R359-A386 VanDerWaalsContact O-N 3.13Å; Q362-A386 HydrophobicContact CB-CB 3.74Å; Q362-A386 HydrophobicContact CG-CB 3.89Å; F373-A386 HydrophobicContact CD1-CB 3.62Å; F373-A386 HydrophobicContact CE1-CB 3.4Å; F373-A386 HydrophobicContact CZ-CB 4.13Å; I384-A386 WeakPolarHBondContact CG2-O 3.43Å; A386-Y396 CarbonylContact C-O 3.57Å; A386-Y396 WeakPolarHBondContact CA-O 3.35Å; A386-Y396 WeakPolarHBondContact CB-O 3.08Å
387	I	90.3	Very high	76.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.2	167.2	-61.1	170.6	0	0	0	105.8	I241 W356 A395 Y396 N398 F403	I241-I387 HydrophobicContact CD1-CD1 4.12Å; I241-I387 HydrophobicContact CD1-CG2 3.89Å; W356-I387 HydrophobicContact CB-CG2 3.99Å; W356-I387 HydrophobicContact CD2-CG2 4.25Å; W356-I387 HydrophobicContact CE3-CG2 3.94Å; W356-I387 HydrophobicContact CG-CG2 4.31Å; I387-A395 WeakPolarHBondContact O-CA 3.28Å; I387-Y396 PolarHBondContact N-O 3.31Å; I387-Y396 PolarHBondContact O-N 3.12Å; I387-N398 HydrophobicContact CG1-CB 4.47Å; I387-F403 HydrophobicContact CD1-CB 4.24Å; I387-F403 HydrophobicContact CD1-CD1 3.5Å; I387-F403 HydrophobicContact CD1-CE1 3.94Å; I387-F403 HydrophobicContact CD1-CG 3.84Å; I387-F403 HydrophobicContact CG2-CD2 4.32Å; I387-F403 HydrophobicContact CG2-CE1 4.35Å; I387-F403 HydrophobicContact CG2-CE2 4.02Å; I387-F403 HydrophobicContact CG2-CZ 4.03Å
388	S	92.4	Very high	78.9	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.4	179.9	66.3	0	0	0	0	114.1	V357 R359 Q362 Q394	V357-S388 PolarHBondContact N-O 2.79Å; V357-S388 PolarHBondContact O-N 3.48Å; R359-S388 VanDerWaalsContact CG-OG 3.27Å; R359-S388 WeakPolarHBondContact CG-OG 3.31Å; R359-S388 PolarHBondContact NE-OG 2.89Å; Q362-S388 PolarHBondContact OE1-OG 3.05Å; S388-Q394 CarbonylContact C-O 3.57Å; S388-Q394 VanDerWaalsContact CA-O 3.27Å; S388-Q394 WeakPolarHBondContact CA-O 3.45Å; S388-Q394 WeakPolarHBondContact CB-O 3.33Å
389	C	92.8	Very high	80.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.2	-177.1	-174.4	0	0	0	0	111.1	H355 W356 W391 K393 Q394	H355-C389 WeakPolarHBondContact O-CA 3.36Å; W356-C389 HydrophobicContact CD2-CB 4.43Å; W356-C389 HydrophobicContact CE3-CB 3.73Å; W356-C389 HydrophobicContact CH2-CB 4.04Å; W356-C389 HydrophobicContact CZ3-CB 3.51Å; C389-W391 PolarHBondContact O-N 3.09Å; C389-W391 PolarHBondContact SG-N 3.32Å; C389-W391 VanDerWaalsContact SG-N 3.45Å; C389-K393 VanDerWaalsContact O-CA 3.3Å; C389-K393 WeakPolarHBondContact O-CA 3.44Å; C389-K393 PolarHBondContact O-N 2.89Å; C389-Q394 PolarHBondContact N-O 2.81Å
390	S	92.8	Very high	82.5	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.7	177.5	-58.8	0	0	0	0	114.3	H355 V357 K393	H355-S390 PolarHBondContact CD2-OG 2.9Å; H355-S390 PolarHBondContact O-N 3.22Å; V357-S390 WeakPolarHBondContact CG2-OG 3.38Å; S390-K393 PolarHBondContact O-NZ 3.18Å
391	W	93.1	Very high	84.2	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.011	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-89.5	167.8	-71.8	123.5	0	0	0	110.3	K335 P336 V352 C389 K393 L414 I421 P424 N506	K335-W391 HydrophobicContact CB-CZ2 4.11Å; K335-W391 HydrophobicContact CD-CD2 4.2Å; K335-W391 HydrophobicContact CD-CE3 4.3Å; K335-W391 HydrophobicContact CD-CH2 4.07Å; K335-W391 HydrophobicContact CD-CZ2 3.96Å; K335-W391 HydrophobicContact CD-CZ3 4.25Å; K335-W391 HydrophobicContact CG-CZ2 4.14Å; P336-W391 WeakPolarHBondContact O-CZ2 3.29Å; V352-W391 HydrophobicContact CG1-CG 4.45Å; C389-W391 PolarHBondContact O-N 3.09Å; C389-W391 PolarHBondContact SG-N 3.32Å; C389-W391 VanDerWaalsContact SG-N 3.45Å; W391-K393 VanDerWaalsContact O-CD 3.29Å; W391-K393 WeakPolarHBondContact O-CD 3.36Å; W391-K393 VanDerWaalsContact O-CE 3.32Å; W391-K393 WeakPolarHBondContact O-CE 3.26Å; W391-K393 WeakPolarHBondContact O-CG 3.49Å; W391-K393 PolarHBondContact O-N 3.36Å; W391-L414 HydrophobicContact CB-CD2 4.22Å; W391-L414 HydrophobicContact CD2-CD2 3.99Å; W391-L414 HydrophobicContact CE3-CD2 3.92Å; W391-L414 HydrophobicContact CG-CD2 4.14Å; W391-I421 HydrophobicContact CE3-CG2 4.34Å; W391-I421 HydrophobicContact CZ3-CG2 3.98Å; W391-P424 HydrophobicContact CZ2-CG 4.02Å; W391-N506 HydrophobicContact CH2-CB 3.63Å; W391-N506 HydrophobicContact CZ3-CB 3.93Å
392	C	91.6	Very high	85.8	Confident	10 Å²	10	40.1 Å²	40.1	7%	0.068	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	4.4	-170.9	65.9	0	0	0	0	117	H354 Q394 L414	H354-C392 PolarHBondContact CE1-SG 3.22Å; C392-Q394 HydrophobicContact CB-CG 4.34Å; C392-Q394 PolarHBondContact O-N 2.92Å; C392-Q394 VanDerWaalsContact SG-CG 3.59Å; C392-L414 VanDerWaalsContact CA-C 3.5Å; C392-L414 VanDerWaalsContact CA-O 3.3Å; C392-L414 WeakPolarHBondContact CA-O 3.42Å
393	K	92.1	Very high	87.2	Confident	59 Å²	59	34.5 Å²	34.5	26%	0.257	18%	0.179	S	C	.	.			trans	57.6	-0	178.1	-47.2	-51.7	179.6	-169.1	0	116.3	C389 S390 W391 A395 W503	C389-K393 VanDerWaalsContact O-CA 3.3Å; C389-K393 WeakPolarHBondContact O-CA 3.44Å; C389-K393 PolarHBondContact O-N 2.89Å; S390-K393 PolarHBondContact O-NZ 3.18Å; W391-K393 VanDerWaalsContact O-CD 3.29Å; W391-K393 WeakPolarHBondContact O-CD 3.36Å; W391-K393 VanDerWaalsContact O-CE 3.32Å; W391-K393 WeakPolarHBondContact O-CE 3.26Å; W391-K393 WeakPolarHBondContact O-CG 3.49Å; W391-K393 PolarHBondContact O-N 3.36Å; K393-A395 PolarHBondContact O-N 3.4Å; K393-W503 HydrophobicContact CD-CH2 4.21Å; K393-W503 HydrophobicContact CD-CZ2 3.68Å; K393-W503 VanDerWaalsContact NZ-CD2 3.34Å; K393-W503 PolarHBondContact NZ-O 3Å
394	Q	91.4	Very high	87.8	Confident	30 Å²	30	33.3 Å²	33.3	14%	0.14	18%	0.175	C	C	.	.			trans	-54.1	137.5	172	-63.2	-179.8	17.4	0	0	110.4	S388 C389 C392 Y396	S388-Q394 CarbonylContact C-O 3.57Å; S388-Q394 VanDerWaalsContact CA-O 3.27Å; S388-Q394 WeakPolarHBondContact CA-O 3.45Å; S388-Q394 WeakPolarHBondContact CB-O 3.33Å; C389-Q394 PolarHBondContact N-O 2.81Å; C392-Q394 HydrophobicContact CB-CG 4.34Å; C392-Q394 PolarHBondContact O-N 2.92Å; C392-Q394 VanDerWaalsContact SG-CG 3.59Å; Q394-Y396 HydrophobicContact CB-CE2 4.11Å; Q394-Y396 PolarHBondContact OE1-OH 3.09Å; Q394-Y396 VanDerWaalsContact OE1-OH 3.08Å
395	A	91.9	Very high	87.8	Confident	7 Å²	7	35.6 Å²	35.6	6%	0.058	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143	-179.2	0	0	0	0	0	110.8	Q362 C366 R367 F373 I387 K393	Q362-A395 HydrophobicContact CG-CB 3.99Å; C366-A395 WeakPolarHBondContact CA-O 3.42Å; R367-A395 PolarHBondContact N-O 3.5Å; F373-A395 HydrophobicContact CE2-CB 3.73Å; F373-A395 HydrophobicContact CZ-CB 3.52Å; I387-A395 WeakPolarHBondContact O-CA 3.28Å; K393-A395 PolarHBondContact O-N 3.4Å
396	Y	91.8	Very high	87.6	Confident	8 Å²	8	40.2 Å²	40.2	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.7	-179.3	-61.8	-89.5	0	0	0	109.6	W356 R367 Q368 A386 I387 Q394 C402 F403	W356-Y396 HydrophobicContact CH2-CD2 4Å; W356-Y396 AromaticContact CH2-CE2 3.6Å; W356-Y396 HydrophobicContact CH2-CE2 3.6Å; W356-Y396 AromaticContact CZ3-CD2 3.94Å; W356-Y396 HydrophobicContact CZ3-CD2 3.94Å; W356-Y396 AromaticContact CZ3-CE2 3.96Å; W356-Y396 HydrophobicContact CZ3-CE2 3.96Å; R367-Y396 HydrophobicContact CB-CD1 4.3Å; R367-Y396 HydrophobicContact CB-CE1 3.73Å; R367-Y396 HydrophobicContact CB-CE2 4.5Å; R367-Y396 WeakPolarHBondContact CD-OH 3.37Å; R367-Y396 HydrophobicContact CG-CE1 4.2Å; Q368-Y396 HydrophobicContact CB-CD1 3.81Å; Q368-Y396 HydrophobicContact CB-CE1 3.96Å; A386-Y396 CarbonylContact C-O 3.57Å; A386-Y396 WeakPolarHBondContact CA-O 3.35Å; A386-Y396 WeakPolarHBondContact CB-O 3.08Å; I387-Y396 PolarHBondContact N-O 3.31Å; I387-Y396 PolarHBondContact O-N 3.12Å; Q394-Y396 HydrophobicContact CB-CE2 4.11Å; Q394-Y396 PolarHBondContact OE1-OH 3.09Å; Q394-Y396 VanDerWaalsContact OE1-OH 3.08Å; Y396-C402 WeakPolarHBondContact CD1-O 3.38Å; Y396-F403 AromaticContact CD2-CD2 3.98Å; Y396-F403 HydrophobicContact CD2-CD2 3.98Å; Y396-F403 HydrophobicContact CD2-CE2 4.47Å; Y396-F403 HydrophobicContact CG-CD2 4.06Å
397	H	89.2	Confident	87.2	Confident	31 Å²	31	40.6 Å²	40.6	14%	0.144	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	146.8	170.3	-64.3	116.6	0	0	0	110	C366 C369 K371 G372 F373 K399 C402	C366-H397 WeakPolarHBondContact CB-CE1 3.3Å; C366-H397 WeakPolarHBondContact CB-ND1 3.03Å; C366-H397 PolarHBondContact SG-N 2.86Å; C366-H397 VanDerWaalsContact SG-N 3.39Å; C366-H397 PolarHBondContact SG-ND1 3.25Å; C366-H397 VanDerWaalsContact SG-ND1 3.43Å; C369-H397 VanDerWaalsContact SG-CE1 3.56Å; C369-H397 PolarHBondContact SG-ND1 3.37Å; K371-H397 PolarHBondContact O-CE1 3.11Å; G372-H397 PolarHBondContact O-NE2 2.79Å; F373-H397 AromaticContact CD1-CD2 3.41Å; F373-H397 VanDerWaalsContact CD1-CD2 3.41Å; F373-H397 WeakPolarHBondContact CD1-CD2 3.39Å; F373-H397 AromaticContact CD1-NE2 3.61Å; F373-H397 AromaticContact CE1-CD2 3.53Å; F373-H397 AromaticContact CE1-NE2 3.86Å; H397-K399 PolarHBondContact O-N 2.88Å; H397-C402 HydrophobicContact CB-CB 3.89Å
398	N	86.3	Confident	86.7	Confident	36 Å²	36	41.8 Å²	41.8	19%	0.193	21%	0.214	C	C	.	.	S	Bend	trans	-73.9	66.6	176	-174.5	35.8	0	0	0	111.4	I384 V385 I387	I384-N398 HydrophobicContact CG2-CB 4.16Å; I384-N398 VanDerWaalsContact O-CB 3.25Å; I384-N398 WeakPolarHBondContact O-CB 3.44Å; I384-N398 PolarHBondContact O-ND2 2.98Å; V385-N398 PolarHBondContact O-N 2.69Å; I387-N398 HydrophobicContact CG1-CB 4.47Å
399	K	83.6	Confident	86	Confident	137 Å²	137	49 Å²	49	60%	0.596	25%	0.248	S	C	*	.	S	Bend	trans	-150.8	142.8	-178.8	-63.8	-166.8	175.5	-162.9	0	109.7	H397 T401 C402 F403	H397-K399 PolarHBondContact O-N 2.88Å; K399-T401 PolarHBondContact O-N 3.5Å; K399-C402 CarbonylContact O-C 3.39Å; K399-C402 PolarHBondContact O-N 2.85Å; K399-F403 PolarHBondContact O-N 3.28Å
400	V	81.8	Confident	85.6	Confident	85 Å²	85	53.5 Å²	53.5	52%	0.515	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.8	179.3	-167.9	0	0	0	0	112.4	L233 C402	L233-V400 HydrophobicContact CD1-CG2 4.31Å; L233-V400 HydrophobicContact CD2-CG2 3.54Å; V400-C402 PolarHBondContact O-N 2.63Å; V400-C402 VanDerWaalsContact O-N 3.12Å
401	T	83.2	Confident	85.3	Confident	118 Å²	118	57.5 Å²	57.5	72%	0.724	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-0.7	177	55.5	0	0	0	0	114.5	K399	K399-T401 PolarHBondContact O-N 3.5Å
402	C	84.8	Confident	85.2	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.061	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-30.2	177.3	-70.3	0	0	0	0	112.8	Q368 Y396 H397 K399 V400	Q368-C402 WeakPolarHBondContact CB-O 3.49Å; Y396-C402 WeakPolarHBondContact CD1-O 3.38Å; H397-C402 HydrophobicContact CB-CB 3.89Å; K399-C402 CarbonylContact O-C 3.39Å; K399-C402 PolarHBondContact O-N 2.85Å; V400-C402 PolarHBondContact O-N 2.63Å; V400-C402 VanDerWaalsContact O-N 3.12Å
403	F	87.9	Confident	85.1	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.013	32%	0.319	C	S	.	.			trans	-130.7	118.7	178.7	-173.4	-101.3	0	0	0	110.2	L237 I241 W356 I387 Y396 K399 Q407 I408	L237-F403 HydrophobicContact CD2-CD1 4.48Å; I241-F403 HydrophobicContact CD1-CE1 4.05Å; I241-F403 HydrophobicContact CD1-CZ 4.36Å; W356-F403 AromaticContact CD1-CZ 3.96Å; W356-F403 AromaticContact CD2-CE2 3.82Å; W356-F403 HydrophobicContact CD2-CE2 3.82Å; W356-F403 AromaticContact CD2-CZ 3.99Å; W356-F403 HydrophobicContact CD2-CZ 3.99Å; W356-F403 AromaticContact CE2-CE2 3.68Å; W356-F403 AromaticContact CE2-CZ 3.94Å; W356-F403 HydrophobicContact CE3-CE2 4.1Å; W356-F403 HydrophobicContact CG-CE2 4.36Å; W356-F403 HydrophobicContact CG-CZ 4.04Å; W356-F403 HydrophobicContact CH2-CE2 4.25Å; W356-F403 AromaticContact CZ2-CE2 3.91Å; W356-F403 HydrophobicContact CZ2-CE2 3.91Å; W356-F403 HydrophobicContact CZ3-CE2 4.3Å; W356-F403 AromaticContact NE1-CZ 3.87Å; I387-F403 HydrophobicContact CD1-CB 4.24Å; I387-F403 HydrophobicContact CD1-CD1 3.5Å; I387-F403 HydrophobicContact CD1-CE1 3.94Å; I387-F403 HydrophobicContact CD1-CG 3.84Å; I387-F403 HydrophobicContact CG2-CD2 4.32Å; I387-F403 HydrophobicContact CG2-CE1 4.35Å; I387-F403 HydrophobicContact CG2-CE2 4.02Å; I387-F403 HydrophobicContact CG2-CZ 4.03Å; Y396-F403 AromaticContact CD2-CD2 3.98Å; Y396-F403 HydrophobicContact CD2-CD2 3.98Å; Y396-F403 HydrophobicContact CD2-CE2 4.47Å; Y396-F403 HydrophobicContact CG-CD2 4.06Å; K399-F403 PolarHBondContact O-N 3.28Å; F403-Q407 VanDerWaalsContact CD2-OE1 3.29Å; F403-Q407 HydrophobicContact CE2-CB 4.14Å; F403-I408 HydrophobicContact CE1-CD1 4.22Å; F403-I408 HydrophobicContact CE1-CG1 4.1Å; F403-I408 HydrophobicContact CZ-CD1 4.48Å; F403-I408 HydrophobicContact CZ-CG1 3.89Å
404	M	81.6	Confident	85	Confident	84 Å²	84	58.8 Å²	58.8	41%	0.414	31%	0.311	S	S	.	.			trans	-110.6	146.8	-177	-60.3	-171.1	-62	0	0	110.5	Q406 Q407	M404-Q406 PolarHBondContact O-N 3.03Å; M404-Q406 VanDerWaalsContact O-N 3.09Å; M404-Q407 WeakPolarHBondContact O-CB 3.31Å; M404-Q407 PolarHBondContact O-N 3.43Å
405	L	77.6	Confident	85	Confident	88 Å²	88	58.3 Å²	58.3	46%	0.461	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-58.1	-28.8	-176.9	-94.1	70.7	0	0	0	113.7	F236 L237 Q407 I408	F236-L405 HydrophobicContact CE1-CD2 4.04Å; F236-L405 HydrophobicContact CZ-CD2 4.45Å; L237-L405 HydrophobicContact CD2-CD1 3.76Å; L405-Q407 PolarHBondContact O-N 2.86Å; L405-I408 HydrophobicContact CG-CD1 4.23Å; L405-I408 WeakPolarHBondContact O-CB 3.39Å; L405-I408 WeakPolarHBondContact O-CG1 3.4Å; L405-I408 PolarHBondContact O-N 2.87Å
406	Q	77.4	Confident	84.8	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.631	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-59.1	-31.1	176.1	-70.3	167.3	-27.1	0	0	112.7	M404 I408 E409 E410	M404-Q406 PolarHBondContact O-N 3.03Å; M404-Q406 VanDerWaalsContact O-N 3.09Å; Q406-I408 PolarHBondContact O-N 2.92Å; Q406-E409 PolarHBondContact O-N 3.44Å; Q406-E410 PolarHBondContact O-N 2.9Å
407	Q	77.7	Confident	84.8	Confident	8 Å²	8	63 Å²	63	4%	0.037	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-68.7	-4.9	176.1	-61.9	170.7	-30.2	0	0	113.3	W356 F403 M404 L405	W356-Q407 HydrophobicContact CZ2-CB 4.45Å; W356-Q407 WeakPolarHBondContact CZ2-O 3.17Å; W356-Q407 PolarHBondContact NE1-O 2.95Å; F403-Q407 VanDerWaalsContact CD2-OE1 3.29Å; F403-Q407 HydrophobicContact CE2-CB 4.14Å; M404-Q407 WeakPolarHBondContact O-CB 3.31Å; M404-Q407 PolarHBondContact O-N 3.43Å; L405-Q407 PolarHBondContact O-N 2.86Å
408	I	79.8	Confident	84.9	Confident	25 Å²	25	63 Å²	63	13%	0.128	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-84.2	-28.5	171.5	-56.7	178.3	0	0	0	111	I241 F403 L405 Q406	I241-I408 HydrophobicContact CG1-CD1 4.34Å; F403-I408 HydrophobicContact CE1-CD1 4.22Å; F403-I408 HydrophobicContact CE1-CG1 4.1Å; F403-I408 HydrophobicContact CZ-CD1 4.48Å; F403-I408 HydrophobicContact CZ-CG1 3.89Å; L405-I408 HydrophobicContact CG-CD1 4.23Å; L405-I408 WeakPolarHBondContact O-CB 3.39Å; L405-I408 WeakPolarHBondContact O-CG1 3.4Å; L405-I408 PolarHBondContact O-N 2.87Å; Q406-I408 PolarHBondContact O-N 2.92Å
409	E	77.9	Confident	85.2	Confident	154 Å²	154	62 Å²	62	72%	0.72	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-16.3	-178.2	-57.4	-173.1	151.1	0	0	112.6	Q406	Q406-E409 PolarHBondContact O-N 3.44Å
410	E	84.5	Confident	85.7	Confident	93 Å²	93	55.5 Å²	55.5	44%	0.435	32%	0.324	S	S	.	.	S	Bend	trans	-59.5	151	175.6	-77	175.6	-153.7	0	0	114.5	Q406	Q406-E410 PolarHBondContact O-N 2.9Å
411	C	87.1	Confident	86.3	Confident	85 Å²	85	51.7 Å²	51.7	57%	0.574	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-79.8	128.7	178.4	-63.1	0	0	0	0	111.3	V351 S413	V351-C411 HydrophobicContact CG1-CB 3.96Å; V351-C411 WeakPolarHBondContact CG1-SG 3.31Å; C411-S413 PolarHBondContact O-N 2.93Å
412	C	90.4	Very high	86.8	Confident	10 Å²	10	46 Å²	46	7%	0.068	27%	0.267	C	S	.	.			trans	-80.2	115.9	-178.5	-158.8	0	0	0	0	112.4	V352 H354 L414	V352-C412 HydrophobicContact CB-CB 4.47Å; V352-C412 HydrophobicContact CG1-CB 4.31Å; V352-C412 VanDerWaalsContact O-CB 3.3Å; V352-C412 WeakPolarHBondContact O-CB 3.05Å; V352-C412 PolarHBondContact O-N 3.36Å; H354-C412 VanDerWaalsContact CD2-CA 3.41Å; H354-C412 WeakPolarHBondContact CD2-CA 3.31Å; H354-C412 WeakPolarHBondContact CD2-CB 3.5Å; H354-C412 VanDerWaalsContact NE2-CA 3.35Å; H354-C412 WeakPolarHBondContact NE2-CA 3.35Å; C412-L414 PolarHBondContact O-N 2.83Å
413	S	90.1	Very high	87.2	Confident	73 Å²	73	46.1 Å²	46.1	51%	0.51	27%	0.267	S	S	.	.			trans	-71.6	10.2	178.4	72.8	0	0	0	0	115.3	C411 G415 A418	C411-S413 PolarHBondContact O-N 2.93Å; S413-G415 PolarHBondContact O-N 2.83Å; S413-A418 WeakPolarHBondContact O-CB 3.34Å
414	L	89.6	Confident	87.3	Confident	15 Å²	15	46.5 Å²	46.5	8%	0.079	27%	0.27	C	S	.	.			trans	57.2	-16.7	-172.7	-64.5	175.5	0	0	0	117.6	V352 W391 C392 C412 A418 I421 P423	V352-L414 HydrophobicContact CB-CD2 4.37Å; V352-L414 HydrophobicContact CG1-CD2 3.97Å; V352-L414 HydrophobicContact CG2-CD2 4.32Å; W391-L414 HydrophobicContact CB-CD2 4.22Å; W391-L414 HydrophobicContact CD2-CD2 3.99Å; W391-L414 HydrophobicContact CE3-CD2 3.92Å; W391-L414 HydrophobicContact CG-CD2 4.14Å; C392-L414 VanDerWaalsContact CA-C 3.5Å; C392-L414 VanDerWaalsContact CA-O 3.3Å; C392-L414 WeakPolarHBondContact CA-O 3.42Å; C412-L414 PolarHBondContact O-N 2.83Å; L414-A418 HydrophobicContact CB-CB 3.96Å; L414-I421 HydrophobicContact CB-CD1 4.41Å; L414-I421 HydrophobicContact CD1-CB 4.41Å; L414-I421 HydrophobicContact CD1-CG2 4.15Å; L414-I421 HydrophobicContact CD2-CG2 4.27Å; L414-P423 HydrophobicContact CD1-CB 4.27Å; L414-P423 HydrophobicContact CD1-CG 3.96Å
415	G	90.9	Very high	87.7	Confident	20 Å²	20	43.2 Å²	43.2	21%	0.206	25%	0.254	C	S	.	.			trans	110.9	-158.5	174.3	0	0	0	0	0	112.7	S413	S413-G415 PolarHBondContact O-N 2.83Å
416	A	88.4	Confident	88.3	Confident	90 Å²	90	39.3 Å²	39.3	74%	0.744	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-47.7	176.7	0	0	0	0	0	111.5	A418	A416-A418 PolarHBondContact O-N 3.4Å
417	H	91.5	Very high	88.9	Confident	24 Å²	24	32.9 Å²	32.9	11%	0.111	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	33.9	-177.2	-51.8	-54.3	0	0	0	113.4	A419 V420 I421 T587 L590 S591	H417-A419 VanDerWaalsContact C-N 3.25Å; H417-A419 PolarHBondContact O-N 2.81Å; H417-V420 HydrophobicContact CB-CG2 3.69Å; H417-V420 VanDerWaalsContact O-CG2 3.23Å; H417-V420 WeakPolarHBondContact O-CG2 3.48Å; H417-V420 PolarHBondContact O-N 3.04Å; H417-I421 HydrophobicContact CB-CD1 4.32Å; H417-I421 WeakPolarHBondContact O-CD1 3.44Å; H417-I421 VanDerWaalsContact O-CG1 3.24Å; H417-I421 WeakPolarHBondContact O-CG1 3.37Å; H417-I421 PolarHBondContact O-N 3.26Å; H417-T587 PolarHBondContact CE1-O 2.86Å; H417-T587 WeakPolarHBondContact NE2-CB 3.27Å; H417-T587 PolarHBondContact NE2-O 2.9Å; H417-L590 HydrophobicContact CB-CD1 4.41Å; H417-S591 PolarHBondContact CE1-OG 2.87Å
418	A	91.4	Very high	89.5	Confident	30 Å²	30	33.7 Å²	33.7	25%	0.248	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.1	-174.6	0	0	0	0	0	113.4	S413 L414 A416	S413-A418 WeakPolarHBondContact O-CB 3.34Å; L414-A418 HydrophobicContact CB-CB 3.96Å; A416-A418 PolarHBondContact O-N 3.4Å
419	A	91.6	Very high	89.8	Confident	16 Å²	16	34.8 Å²	34.8	13%	0.132	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-30.5	179.4	0	0	0	0	0	113.3	H417 K479 E594	H417-A419 VanDerWaalsContact C-N 3.25Å; H417-A419 PolarHBondContact O-N 2.81Å; A419-K479 CarbonylContact O-C 3.58Å; A419-K479 PolarHBondContact O-N 3Å; A419-E594 VanDerWaalsContact CB-OE1 3.31Å; A419-E594 WeakPolarHBondContact CB-OE1 3.12Å
420	V	94.8	Very high	90.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-30	178.8	-63.5	0	0	0	0	113.2	H417 I422 K479 L481 L505 Q509 L590 E594	H417-V420 HydrophobicContact CB-CG2 3.69Å; H417-V420 VanDerWaalsContact O-CG2 3.23Å; H417-V420 WeakPolarHBondContact O-CG2 3.48Å; H417-V420 PolarHBondContact O-N 3.04Å; V420-I422 PolarHBondContact O-N 3.33Å; V420-I422 VanDerWaalsContact O-N 3.17Å; V420-K479 WeakPolarHBondContact CG1-O 3.5Å; V420-L481 HydrophobicContact CB-CB 3.9Å; V420-L481 HydrophobicContact CG1-CB 4.43Å; V420-L481 PolarHBondContact O-N 3.01Å; V420-L505 HydrophobicContact CG2-CD2 4.48Å; V420-Q509 PolarHBondContact O-OE1 2.76Å; V420-L590 HydrophobicContact CG2-CD2 4.46Å; V420-E594 HydrophobicContact CG1-CB 3.87Å; V420-E594 HydrophobicContact CG1-CG 3.91Å
421	I	94.7	Very high	89.7	Confident	5 Å²	5	32 Å²	32	3%	0.026	19%	0.194	C	C	.	.	S	Bend	trans	-71.3	109.9	-177.8	-65.1	163.8	0	0	0	111.3	W391 L414 H417 P423 L505	W391-I421 HydrophobicContact CE3-CG2 4.34Å; W391-I421 HydrophobicContact CZ3-CG2 3.98Å; L414-I421 HydrophobicContact CB-CD1 4.41Å; L414-I421 HydrophobicContact CD1-CB 4.41Å; L414-I421 HydrophobicContact CD1-CG2 4.15Å; L414-I421 HydrophobicContact CD2-CG2 4.27Å; H417-I421 HydrophobicContact CB-CD1 4.32Å; H417-I421 WeakPolarHBondContact O-CD1 3.44Å; H417-I421 VanDerWaalsContact O-CG1 3.24Å; H417-I421 WeakPolarHBondContact O-CG1 3.37Å; H417-I421 PolarHBondContact O-N 3.26Å; I421-P423 WeakPolarHBondContact O-CD 3.47Å; I421-L505 HydrophobicContact CG1-CD2 3.78Å
422	I	93.8	Very high	89	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.			trans	-58.8	113.4	167.2	-57.6	-175.1	0	0	0	111	V420 W426 I427 P480 L482 N506 Q509 Y525	V420-I422 PolarHBondContact O-N 3.33Å; V420-I422 VanDerWaalsContact O-N 3.17Å; I422-W426 HydrophobicContact CG2-CB 4.36Å; I422-W426 HydrophobicContact CG2-CE3 4.16Å; I422-I427 HydrophobicContact CG2-CD1 4.12Å; I422-I427 HydrophobicContact CG2-CG1 4.23Å; I422-P480 HydrophobicContact CG1-CB 3.97Å; I422-L482 HydrophobicContact CD1-CD2 3.76Å; I422-N506 VanDerWaalsContact O-CB 3.24Å; I422-N506 WeakPolarHBondContact O-CB 3.4Å; I422-N506 PolarHBondContact O-ND2 2.86Å; I422-Q509 HydrophobicContact CD1-CB 3.87Å; I422-Q509 HydrophobicContact CG1-CB 4.29Å; I422-Q509 VanDerWaalsContact N-NE2 3.18Å; I422-Y525 HydrophobicContact CD1-CD1 3.77Å; I422-Y525 HydrophobicContact CD1-CE1 3.5Å; I422-Y525 VanDerWaalsContact CD1-CE1 3.5Å; I422-Y525 HydrophobicContact CG2-CE1 4.12Å
423	P	91.9	Very high	87.5	Confident	11 Å²	11	37.7 Å²	37.7	7%	0.071	22%	0.218	C	C	.	.			trans	-67.9	145.8	-178.3	-19.5	33.1	0	0	0	112.2	V352 L414 I421 T425 W426 M478	V352-P423 HydrophobicContact CG2-CB 4.07Å; L414-P423 HydrophobicContact CD1-CB 4.27Å; L414-P423 HydrophobicContact CD1-CG 3.96Å; I421-P423 WeakPolarHBondContact O-CD 3.47Å; P423-T425 PolarHBondContact O-N 2.77Å; P423-T425 VanDerWaalsContact O-N 3.13Å; P423-W426 HydrophobicContact CB-CG 4.47Å; P423-W426 HydrophobicContact CG-CD2 4.32Å; P423-W426 HydrophobicContact CG-CG 4.34Å; P423-W426 WeakPolarHBondContact O-CB 3.38Å; P423-W426 PolarHBondContact O-N 3.41Å; P423-M478 HydrophobicContact CG-CE 4.34Å
424	P	91.3	Very high	85.9	Confident	11 Å²	11	43.1 Å²	43.1	7%	0.071	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.3	176	27.5	-35.7	0	0	0	113.3	P336 F338 R339 V352 W391 W426 I427	P336-P424 WeakPolarHBondContact O-CB 3.47Å; F338-P424 CarbonylContact C-O 3.57Å; F338-P424 WeakPolarHBondContact CA-O 3.22Å; R339-P424 PolarHBondContact N-O 3.04Å; R339-P424 VanDerWaalsContact N-O 3.08Å; V352-P424 HydrophobicContact CG1-CG 4.27Å; V352-P424 HydrophobicContact CG2-CG 4.3Å; W391-P424 HydrophobicContact CZ2-CG 4.02Å; P424-W426 PolarHBondContact O-N 2.82Å; P424-I427 PolarHBondContact O-N 2.97Å
425	T	88.6	Confident	83.9	Confident	15 Å²	15	48.4 Å²	48.4	9%	0.092	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.8	171.8	54.8	0	0	0	0	113	R339 V352 P423	R339-T425 PolarHBondContact NE-O 2.96Å; R339-T425 PolarHBondContact NH2-O 2.91Å; V352-T425 HydrophobicContact CG2-CG2 4.37Å; P423-T425 PolarHBondContact O-N 2.77Å; P423-T425 VanDerWaalsContact O-N 3.13Å
426	W	90.1	Very high	81.6	Confident	6 Å²	6	53 Å²	53	2%	0.023	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-30.7	176	-69.2	15.1	0	0	0	112.2	I422 P423 P424 V470 K471 P472 L473 M478 P480 V528	I422-W426 HydrophobicContact CG2-CB 4.36Å; I422-W426 HydrophobicContact CG2-CE3 4.16Å; P423-W426 HydrophobicContact CB-CG 4.47Å; P423-W426 HydrophobicContact CG-CD2 4.32Å; P423-W426 HydrophobicContact CG-CG 4.34Å; P423-W426 WeakPolarHBondContact O-CB 3.38Å; P423-W426 PolarHBondContact O-N 3.41Å; P424-W426 PolarHBondContact O-N 2.82Å; W426-V470 HydrophobicContact CB-CG1 4.49Å; W426-V470 CarbonylContact O-C 3.51Å; W426-V470 WeakPolarHBondContact O-CA 3.4Å; W426-K471 WeakPolarHBondContact CA-O 3.5Å; W426-K471 PolarHBondContact O-N 2.94Å; W426-P472 HydrophobicContact CD2-CB 4.17Å; W426-P472 HydrophobicContact CE3-CB 3.76Å; W426-P472 HydrophobicContact CH2-CB 4.02Å; W426-P472 HydrophobicContact CZ2-CB 4.4Å; W426-P472 HydrophobicContact CZ3-CB 3.69Å; W426-L473 HydrophobicContact CZ2-CB 4.19Å; W426-L473 WeakPolarHBondContact CZ2-O 3.38Å; W426-M478 HydrophobicContact CH2-CE 3.74Å; W426-M478 HydrophobicContact CH2-SD 3.77Å; W426-M478 HydrophobicContact CZ2-CE 3.75Å; W426-M478 HydrophobicContact CZ2-SD 3.54Å; W426-M478 VanDerWaalsContact CZ2-SD 3.54Å; W426-P480 HydrophobicContact CH2-CG 4Å; W426-P480 HydrophobicContact CZ3-CB 4.28Å; W426-P480 HydrophobicContact CZ3-CG 3.8Å; W426-V528 HydrophobicContact CZ3-CG1 4.01Å
427	I	91.5	Very high	79.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.3	-175.1	-55.3	168.9	0	0	0	108.8	F338 R339 I422 P424 F468 R508 Y525	F338-I427 WeakPolarHBondContact CA-O 3.17Å; F338-I427 HydrophobicContact CB-CB 4.04Å; F338-I427 HydrophobicContact CB-CG2 3.74Å; F338-I427 WeakPolarHBondContact CB-O 3.23Å; R339-I427 PolarHBondContact N-O 2.98Å; I422-I427 HydrophobicContact CG2-CD1 4.12Å; I422-I427 HydrophobicContact CG2-CG1 4.23Å; P424-I427 PolarHBondContact O-N 2.97Å; I427-F468 HydrophobicContact CG2-CD1 3.88Å; I427-F468 HydrophobicContact CG2-CE1 4.47Å; I427-R508 HydrophobicContact CD1-CB 3.7Å; I427-Y525 WeakPolarHBondContact CD1-OH 3.49Å; I427-Y525 HydrophobicContact CG1-CE1 4.47Å
428	I	89.1	Confident	77.6	Confident	25 Å²	25	64.9 Å²	64.9	13%	0.128	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.6	-175.3	-51.9	179.3	0	0	0	109.3	R339 F468 L469 K471	R339-I428 HydrophobicContact CG-CG1 4.16Å; I428-F468 WeakPolarHBondContact O-CA 3.42Å; I428-L469 WeakPolarHBondContact CB-O 3.35Å; I428-L469 PolarHBondContact N-O 3.25Å; I428-L469 PolarHBondContact O-N 3.1Å; I428-K471 HydrophobicContact CD1-CB 4.22Å; I428-K471 HydrophobicContact CD1-CD 3.72Å; I428-K471 HydrophobicContact CD1-CG 3.96Å
429	R	87.3	Confident	75.4	Confident	47 Å²	47	69.4 Å²	69.4	18%	0.177	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124	165.8	-176.3	170.5	163.6	-144.1	5.7	108.7	E272 A274 F338 R339 E340 P341 F468	E272-R429 PolarHBondContact O-NE 3.11Å; E272-R429 PolarHBondContact O-NH2 3.34Å; A274-R429 PolarHBondContact O-NH1 2.77Å; F338-R429 HydrophobicContact CD2-CB 3.73Å; F338-R429 HydrophobicContact CE2-CB 3.71Å; F338-R429 HydrophobicContact CE2-CG 4.37Å; R339-R429 PolarHBondContact O-N 3.27Å; E340-R429 IonicContact OE1-NH1 3.08Å; E340-R429 PolarHBondContact OE1-NH1 3.06Å; P341-R429 VanDerWaalsContact CD-O 3.29Å; P341-R429 WeakPolarHBondContact CD-O 3.44Å; P341-R429 WeakPolarHBondContact CG-O 3.45Å; R429-F468 HydrophobicContact CB-CD1 4.2Å; R429-F468 HydrophobicContact CB-CE1 3.74Å; R429-F468 HydrophobicContact CB-CZ 4.18Å; R429-F468 HydrophobicContact CG-CE1 4.23Å; R429-F468 HydrophobicContact CG-CZ 4.17Å
430	V	83.1	Confident	73.1	Confident	43 Å²	43	74.3 Å²	74.3	26%	0.261	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-94	140.7	177.3	-175.8	0	0	0	0	107.9	W465 P467 L469	V430-W465 HydrophobicContact CB-CZ2 4.46Å; V430-W465 HydrophobicContact CG1-CZ2 4.46Å; V430-W465 WeakPolarHBondContact O-CZ2 3.44Å; V430-P467 PolarHBondContact N-O 2.9Å; V430-L469 HydrophobicContact CG2-CB 3.78Å
431	R	76.4	Confident	71	Confident	145 Å²	145	84 Å²	84	55%	0.547	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-95.5	140.3	169.8	-66.4	-174.4	-177.6	-179.1	2.1	109.6	P341	P341-R431 HydrophobicContact CG-CG 4.28Å
432	K	72.3	Confident	68.6	Low	119 Å²	119	93.4 Å²	93.4	52%	0.517	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-60	126.5	179.1	-161.1	179.6	-146.2	142.4	0	110.4	E272 Q434 W465	E272-K432 IonicContact OE1-NZ 2.65Å; E272-K432 PolarHBondContact OE1-NZ 3.17Å; K432-Q434 PolarHBondContact O-N 2.92Å; K432-Q434 VanDerWaalsContact O-N 3.07Å; K432-W465 HydrophobicContact CB-CH2 4.28Å; K432-W465 HydrophobicContact CB-CZ2 3.95Å; K432-W465 HydrophobicContact CG-CD2 4.34Å; K432-W465 VanDerWaalsContact N-CZ2 3.34Å
433	P	60	Low	66	Low	96 Å²	96	103.4 Å²	103.4	62%	0.623	53%	0.528	S	S	*	.			trans	-65.8	110.2	177.3	-19.8	32.3	0	0	0	110.2	T435	P433-T435 PolarHBondContact O-N 3.27Å
434	Q	55	Low	63.8	Low	187 Å²	187	112.5 Å²	112.5	87%	0.874	57%	0.567	S	S	*	*			trans	-71	121	175.2	-71.9	-151	-16.9	0	0	110.7	K432 S436	K432-Q434 PolarHBondContact O-N 2.92Å; K432-Q434 VanDerWaalsContact O-N 3.07Å; Q434-S436 PolarHBondContact O-N 2.87Å
435	T	47.7	Very low	61.3	Low	127 Å²	127	123.2 Å²	123.2	78%	0.779	61%	0.606	S	S	*	*			trans	-72	99.9	168.4	36.8	0	0	0	0	108.9	P433 L437	P433-T435 PolarHBondContact O-N 3.27Å; T435-L437 VanDerWaalsContact C-N 3.31Å; T435-L437 PolarHBondContact O-N 3.44Å
436	S	43.4	Very low	58.8	Low	117 Å²	117	128.1 Å²	128.1	82%	0.818	64%	0.636	S	S	*	*			trans	-72	77.7	-171.9	61.3	0	0	0	0	113.3	Q434 K438	Q434-S436 PolarHBondContact O-N 2.87Å; S436-K438 VanDerWaalsContact C-N 3.34Å; S436-K438 PolarHBondContact O-N 2.68Å
437	L	51.3	Low	56.3	Low	163 Å²	163	132.9 Å²	132.9	85%	0.853	67%	0.67	S	S	*	*			trans	-74.3	79.4	171.3	-72.2	174.8	0	0	0	111.4	T435	T435-L437 VanDerWaalsContact C-N 3.31Å; T435-L437 PolarHBondContact O-N 3.44Å
438	K	43.9	Very low	54	Low	200 Å²	200	140.9 Å²	140.9	87%	0.87	71%	0.712	S	S	*	*			trans	-138.8	117.4	152.9	-72.8	-160.5	176.1	-174.6	0	110.7	S436	S436-K438 VanDerWaalsContact C-N 3.34Å; S436-K438 PolarHBondContact O-N 2.68Å
439	S	45.4	Very low	51.6	Low	125 Å²	125	148.9 Å²	148.9	87%	0.874	75%	0.745	S	S	*	*			trans	-82.5	142.4	169.1	52.1	0	0	0	0	110.3
440	S	44.2	Very low	49	Very low	119 Å²	119	152.6 Å²	152.6	83%	0.832	78%	0.777	S	S	*	*			trans	-145.3	139.6	161.8	56.1	0	0	0	0	109.3
441	K	50.1	Low	46.5	Very low	202 Å²	202	157.2 Å²	157.2	88%	0.878	80%	0.8	S	S	*	*			trans	-99	158.1	-177	-68.8	177.3	178.1	174.9	0	110.3
442	K	43.5	Very low	44.7	Very low	204 Å²	204	160.2 Å²	160.2	89%	0.887	82%	0.817	S	S	*	*			trans	75	147.5	-173.1	-54.2	172.7	178.2	173.4	0	112.5
443	K	40.5	Very low	42.8	Very low	209 Å²	209	160 Å²	160	91%	0.909	83%	0.831	S	S	*	*			cis	-135.9	153.4	7.7	-144.8	171.9	-176.4	-179.6	0	110.9
444	K	46.1	Very low	41.5	Very low	203 Å²	203	161.7 Å²	161.7	88%	0.883	84%	0.84	S	S	*	*			trans	-91.5	125.6	-169.9	179.4	-174.8	-177.5	-177	0	111.9
445	R	38.9	Very low	40.7	Very low	236 Å²	236	162.7 Å²	162.7	89%	0.891	84%	0.841	S	S	*	*			trans	-155.5	110	154.3	-112.8	171.7	88.8	123	-2.8	113.2
446	T	35.9	Very low	40	Very low	118 Å²	118	166.5 Å²	166.5	72%	0.724	85%	0.847	S	S	*	*			trans	12.3	125.1	151.6	52.9	0	0	0	0	121.5
447	S	37	Very low	39.6	Very low	106 Å²	106	163.5 Å²	163.5	74%	0.741	84%	0.835	S	S	*	*			trans	56.1	112.9	135.3	-157.4	0	0	0	0	120.1
448	L	42.8	Very low	38.9	Very low	168 Å²	168	160 Å²	160	88%	0.88	83%	0.83	S	S	*	*				-161.3	167.4	94.1	-100.8	171.1	0	0	0	111.8
449	K	39.4	Very low	38.7	Very low	192 Å²	192	157.7 Å²	157.7	84%	0.835	82%	0.822	S	S	*	*			trans	-94.7	112.8	-163.4	-172	177.9	-176.1	177.7	0	111.5
450	C	32.7	Very low	38.5	Very low	126 Å²	126	157.9 Å²	157.9	85%	0.851	81%	0.812	S	S	*	*			trans	-113.3	134.7	176	-171	0	0	0	0	111.8
451	N	30.6	Very low	38.3	Very low	139 Å²	139	158.7 Å²	158.7	74%	0.743	80%	0.803	S	S	*	*			trans	-91.6	123.3	-173.8	-80.6	-27.4	0	0	0	113.1	S453	N451-S453 PolarHBondContact O-N 3.06Å
452	K	37.2	Very low	37.9	Very low	208 Å²	208	156.6 Å²	156.6	90%	0.904	80%	0.801	S	S	*	*			trans	29.9	78.9	136.3	-161.5	177.9	-172.9	178.3	0	116.9
453	S	32.6	Very low	38.2	Very low	115 Å²	115	150 Å²	150	80%	0.804	79%	0.791	S	S	*	*			trans	-95.8	140.4	155.7	61.2	0	0	0	0	110.4	N451 K455	N451-S453 PolarHBondContact O-N 3.06Å; S453-K455 PolarHBondContact O-N 3.49Å
454	T	33.8	Very low	39	Very low	131 Å²	131	149.3 Å²	149.3	80%	0.804	78%	0.783	S	S	*	*			trans	-71.8	114	-167.5	35.2	0	0	0	0	112.8	K456	T454-K456 VanDerWaalsContact C-N 3.26Å; T454-K456 PolarHBondContact O-N 3.35Å
455	K	37.4	Very low	39.7	Very low	209 Å²	209	142.6 Å²	142.6	91%	0.909	75%	0.752	S	S	*	*			trans	-68	81.2	168	-169.2	-179.5	-174.8	-177.6	0	109.5	S453 G457	S453-K455 PolarHBondContact O-N 3.49Å; K455-G457 VanDerWaalsContact C-N 3.3Å; K455-G457 PolarHBondContact O-N 3.37Å
456	K	32.8	Very low	41.5	Very low	206 Å²	206	136.6 Å²	136.6	90%	0.896	73%	0.732	S	S	*	*			trans	-68.7	88.2	176.6	-164.1	169.4	-172.5	173.6	0	108.9	T454	T454-K456 VanDerWaalsContact C-N 3.26Å; T454-K456 PolarHBondContact O-N 3.35Å
457	G	35.3	Very low	43.7	Very low	55 Å²	55	132.4 Å²	132.4	57%	0.567	71%	0.707	S	S	*	*			trans	-62.3	159.1	-175.2	0	0	0	0	0	112.7	K455	K455-G457 VanDerWaalsContact C-N 3.3Å; K455-G457 PolarHBondContact O-N 3.37Å
458	A	37.3	Very low	46.2	Very low	90 Å²	90	127.9 Å²	127.9	74%	0.744	67%	0.674	S	S	*	*			trans	-64.1	136.5	160.8	0	0	0	0	0	108.5	L460	A458-L460 PolarHBondContact O-N 2.94Å
459	E	38.3	Very low	48.4	Very low	151 Å²	151	123.2 Å²	123.2	71%	0.706	65%	0.65	S	S	*	*			trans	-67.7	94	176.4	-68.2	179.3	170.9	0	0	109.4	Q461 K527	E459-Q461 PolarHBondContact O-N 2.86Å; E459-K527 IonicContact OE2-NZ 2.81Å; E459-K527 PolarHBondContact OE2-NZ 2.87Å
460	L	43.1	Very low	50.8	Low	129 Å²	129	114.5 Å²	114.5	68%	0.675	61%	0.612	S	S	*	*			trans	-73.1	75.5	162.5	-85.1	165.8	0	0	0	108.5	A458	A458-L460 PolarHBondContact O-N 2.94Å
461	Q	39.5	Very low	53.5	Low	135 Å²	135	113.8 Å²	113.8	63%	0.631	60%	0.595	S	S	*	*			trans	-84.2	121	168.7	-154.3	147.1	33	0	0	106.9	E459 G463	E459-Q461 PolarHBondContact O-N 2.86Å; Q461-G463 PolarHBondContact O-N 3.12Å
462	D	42.2	Very low	56.1	Low	158 Å²	158	108.7 Å²	108.7	85%	0.845	57%	0.57	S	S	*	*	S	Bend	trans	67.3	24.2	178.7	-151.7	41.2	0	0	0	117.7	R464	D462-R464 PolarHBondContact O-N 2.77Å
463	G	48.7	Very low	58.1	Low	65 Å²	65	102.4 Å²	102.4	67%	0.67	55%	0.545	S	S	*	.	S	Bend	trans	70.7	-32.2	166.2	0	0	0	0	0	117.3	Q461 W465	Q461-G463 PolarHBondContact O-N 3.12Å; G463-W465 PolarHBondContact O-N 3.2Å
464	R	57.5	Low	59.7	Low	195 Å²	195	102.9 Å²	102.9	74%	0.736	55%	0.545	S	S	*	.	S	Bend	trans	-81.8	113.6	177.7	-175.3	172	174	-173.4	-5.4	110.1	D462 K466	D462-R464 PolarHBondContact O-N 2.77Å; R464-K466 PolarHBondContact O-N 2.65Å
465	W	61.7	Low	61.8	Low	63 Å²	63	99 Å²	99	24%	0.239	52%	0.524	C	S	.	.			trans	-60.6	123.6	174	174.1	88.4	0	0	0	110.5	E272 V430 K432 G463 P467	E272-W465 HydrophobicContact CG-CH2 3.59Å; E272-W465 HydrophobicContact CG-CZ3 3.47Å; E272-W465 VanDerWaalsContact CG-CZ3 3.47Å; E272-W465 WeakPolarHBondContact OE1-CZ3 3.47Å; E272-W465 WeakPolarHBondContact OE2-CH2 3.45Å; V430-W465 HydrophobicContact CB-CZ2 4.46Å; V430-W465 HydrophobicContact CG1-CZ2 4.46Å; V430-W465 WeakPolarHBondContact O-CZ2 3.44Å; K432-W465 HydrophobicContact CB-CH2 4.28Å; K432-W465 HydrophobicContact CB-CZ2 3.95Å; K432-W465 HydrophobicContact CG-CD2 4.34Å; K432-W465 VanDerWaalsContact N-CZ2 3.34Å; G463-W465 PolarHBondContact O-N 3.2Å; W465-P467 HydrophobicContact CH2-CB 3.61Å; W465-P467 HydrophobicContact CZ2-CB 4.42Å; W465-P467 HydrophobicContact CZ3-CB 3.74Å; W465-P467 HydrophobicContact CZ3-CG 4.44Å
466	K	75.5	Confident	63.5	Low	110 Å²	110	97.9 Å²	97.9	48%	0.478	52%	0.522	S	S	.	.			trans	-99.2	129.6	177	-63.9	-169	176.8	-171.8	0	110.1	R464 F468 E523	R464-K466 PolarHBondContact O-N 2.65Å; K466-F468 VanDerWaalsContact C-N 3.31Å; K466-F468 PolarHBondContact O-N 3.39Å; K466-E523 IonicContact NZ-OE2 2.92Å; K466-E523 PolarHBondContact NZ-OE2 3.19Å
467	P	82.5	Confident	65.8	Low	30 Å²	30	95.2 Å²	95.2	20%	0.195	52%	0.517	C	S	.	.	S	Bend	trans	-72.6	-16.8	-175.2	27.2	-36	0	0	0	114.7	W270 V430 W465	W270-P467 WeakPolarHBondContact O-CG 3.45Å; V430-P467 PolarHBondContact N-O 2.9Å; W465-P467 HydrophobicContact CH2-CB 3.61Å; W465-P467 HydrophobicContact CZ2-CB 4.42Å; W465-P467 HydrophobicContact CZ3-CB 3.74Å; W465-P467 HydrophobicContact CZ3-CG 4.44Å
468	F	88.4	Confident	68.2	Low	11 Å²	11	94.1 Å²	94.1	5%	0.048	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.4	177.4	-76.2	-87.1	0	0	0	111.3	W270 A274 F338 I427 I428 R429 K466 M524	W270-F468 HydrophobicContact CE3-CB 4.34Å; W270-F468 AromaticContact CE3-CD2 3.87Å; W270-F468 HydrophobicContact CE3-CD2 3.87Å; W270-F468 HydrophobicContact CE3-CE2 4.36Å; W270-F468 HydrophobicContact CE3-CG 4.02Å; W270-F468 HydrophobicContact CZ3-CB 4.42Å; W270-F468 HydrophobicContact CZ3-CG 4.29Å; W270-F468 WeakPolarHBondContact O-CD2 3.44Å; A274-F468 HydrophobicContact CB-CE2 4.17Å; A274-F468 HydrophobicContact CB-CZ 3.9Å; F338-F468 HydrophobicContact CB-CE1 4.03Å; F338-F468 HydrophobicContact CD1-CE1 4.13Å; F338-F468 HydrophobicContact CD1-CZ 4.49Å; F338-F468 AromaticContact CD2-CE1 3.89Å; F338-F468 HydrophobicContact CD2-CE1 3.89Å; F338-F468 HydrophobicContact CE2-CE1 4.37Å; F338-F468 AromaticContact CG-CE1 3.76Å; F338-F468 HydrophobicContact CG-CE1 3.76Å; F338-F468 HydrophobicContact CG-CZ 4.5Å; I427-F468 HydrophobicContact CG2-CD1 3.88Å; I427-F468 HydrophobicContact CG2-CE1 4.47Å; I428-F468 WeakPolarHBondContact O-CA 3.42Å; R429-F468 HydrophobicContact CB-CD1 4.2Å; R429-F468 HydrophobicContact CB-CE1 3.74Å; R429-F468 HydrophobicContact CB-CZ 4.18Å; R429-F468 HydrophobicContact CG-CE1 4.23Å; R429-F468 HydrophobicContact CG-CZ 4.17Å; K466-F468 VanDerWaalsContact C-N 3.31Å; K466-F468 PolarHBondContact O-N 3.39Å; F468-M524 HydrophobicContact CB-SD 4.44Å
469	L	89.1	Confident	70.9	Confident	69 Å²	69	93 Å²	93	36%	0.361	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	123.6	178.1	175.9	59.4	0	0	0	110	I428 V430 K471	I428-L469 WeakPolarHBondContact CB-O 3.35Å; I428-L469 PolarHBondContact N-O 3.25Å; I428-L469 PolarHBondContact O-N 3.1Å; V430-L469 HydrophobicContact CG2-CB 3.78Å; L469-K471 HydrophobicContact CG-CG 4.28Å
470	V	90.7	Very high	73.6	Confident	9 Å²	9	85.9 Å²	85.9	6%	0.055	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.7	174.9	-172.9	0	0	0	0	109.5	W426 M524 Y525 V528	W426-V470 HydrophobicContact CB-CG1 4.49Å; W426-V470 CarbonylContact O-C 3.51Å; W426-V470 WeakPolarHBondContact O-CA 3.4Å; V470-M524 HydrophobicContact CG2-CG 3.9Å; V470-M524 HydrophobicContact CG2-SD 4.44Å; V470-Y525 HydrophobicContact CB-CD1 4.29Å; V470-Y525 HydrophobicContact CB-CE1 4.34Å; V470-Y525 HydrophobicContact CG1-CD1 3.89Å; V470-Y525 HydrophobicContact CG1-CE1 3.91Å; V470-Y525 HydrophobicContact CG2-CD1 3.71Å; V470-Y525 HydrophobicContact CG2-CE1 3.5Å; V470-Y525 VanDerWaalsContact CG2-CE1 3.5Å; V470-Y525 HydrophobicContact CG2-CG 4.43Å; V470-V528 HydrophobicContact CG1-CG2 3.82Å
471	K	88.3	Confident	76.1	Confident	112 Å²	112	79.7 Å²	79.7	49%	0.487	41%	0.41	S	S	.	.			trans	-126.6	94.5	172	-64.9	-166.8	-174.5	176.9	0	109	W426 I428 L469	W426-K471 WeakPolarHBondContact CA-O 3.5Å; W426-K471 PolarHBondContact O-N 2.94Å; I428-K471 HydrophobicContact CD1-CB 4.22Å; I428-K471 HydrophobicContact CD1-CD 3.72Å; I428-K471 HydrophobicContact CD1-CG 3.96Å; L469-K471 HydrophobicContact CG-CG 4.28Å
472	P	85.9	Confident	78.9	Confident	32 Å²	32	73.3 Å²	73.3	21%	0.208	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-65.8	157.6	176.8	31.1	-37.5	0	0	0	111.2	W426 K527 V528	W426-P472 HydrophobicContact CD2-CB 4.17Å; W426-P472 HydrophobicContact CE3-CB 3.76Å; W426-P472 HydrophobicContact CH2-CB 4.02Å; W426-P472 HydrophobicContact CZ2-CB 4.4Å; W426-P472 HydrophobicContact CZ3-CB 3.69Å; P472-K527 WeakPolarHBondContact CG-O 3.2Å; P472-V528 HydrophobicContact CB-CG2 4.32Å; P472-V528 HydrophobicContact CG-CG2 4.36Å
473	L	78.5	Confident	81.5	Confident	76 Å²	76	65.8 Å²	65.8	40%	0.398	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-99.2	125	163.1	-64.1	175.7	0	0	0	107.4	N350 W426 S475	N350-L473 HydrophobicContact CB-CD1 4.06Å; W426-L473 HydrophobicContact CZ2-CB 4.19Å; W426-L473 WeakPolarHBondContact CZ2-O 3.38Å; L473-S475 PolarHBondContact O-N 3.47Å
474	P	67.9	Low	83.9	Confident	124 Å²	124	62.7 Å²	62.7	81%	0.805	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-66.6	120.2	-177.8	26.6	-33.4	0	0	0	110.4
475	S	77.5	Confident	85.7	Confident	51 Å²	51	53.4 Å²	53.4	36%	0.357	27%	0.273	S	S	.	.			trans	-146.8	126.4	174.3	177.3	0	0	0	0	108.6	L473 L477 M478	L473-S475 PolarHBondContact O-N 3.47Å; S475-L477 VanDerWaalsContact C-N 3.26Å; S475-L477 PolarHBondContact O-N 3.17Å; S475-M478 PolarHBondContact O-N 3.23Å
476	Q	73.5	Confident	87.2	Confident	184 Å²	184	52.2 Å²	52.2	86%	0.86	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.4	-179.3	-70.5	174.2	-30.1	0	0	112.7	N530	Q476-N530 PolarHBondContact O-ND2 3Å
477	L	80.1	Confident	87.9	Confident	151 Å²	151	47.8 Å²	47.8	79%	0.791	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-13.2	-179.9	-61.4	176.4	0	0	0	113.5	S475	S475-L477 VanDerWaalsContact C-N 3.26Å; S475-L477 PolarHBondContact O-N 3.17Å
478	M	86.9	Confident	88.1	Confident	32 Å²	32	53.9 Å²	53.9	16%	0.158	28%	0.277	C	S	.	.			trans	-84.9	142.9	176.8	-66.4	-171.5	74.1	0	0	110.7	P423 W426 S475 P480 N530	P423-M478 HydrophobicContact CG-CE 4.34Å; W426-M478 HydrophobicContact CH2-CE 3.74Å; W426-M478 HydrophobicContact CH2-SD 3.77Å; W426-M478 HydrophobicContact CZ2-CE 3.75Å; W426-M478 HydrophobicContact CZ2-SD 3.54Å; W426-M478 VanDerWaalsContact CZ2-SD 3.54Å; S475-M478 PolarHBondContact O-N 3.23Å; M478-P480 HydrophobicContact CB-CG 4.26Å; M478-N530 WeakPolarHBondContact O-CB 3.49Å; M478-N530 PolarHBondContact O-ND2 2.89Å; M478-N530 VanDerWaalsContact O-ND2 3.12Å
479	K	92.8	Very high	87.9	Confident	66 Å²	66	54.2 Å²	54.2	29%	0.287	28%	0.281	S	S	.	.			trans	-130.8	62.5	177.2	-63.8	172.7	180	169.7	0	108.6	A419 V420 L481 N530 E594	A419-K479 CarbonylContact O-C 3.58Å; A419-K479 PolarHBondContact O-N 3Å; V420-K479 WeakPolarHBondContact CG1-O 3.5Å; K479-L481 PolarHBondContact O-N 2.93Å; K479-N530 CarbonylContact C-O 3.57Å; K479-N530 WeakPolarHBondContact CA-O 3.49Å; K479-E594 HydrophobicContact CD-CG 4.17Å; K479-E594 WeakPolarHBondContact CD-O 3.42Å; K479-E594 WeakPolarHBondContact CE-O 3.27Å; K479-E594 PolarHBondContact NZ-O 3.15Å
480	P	94.6	Very high	87.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	27%	0.269	C	S	.	.			trans	-62	137.6	-162.9	-20	33.7	0	0	0	111.9	I422 W426 M478 V528 P529 N530 L531 R532	I422-P480 HydrophobicContact CG1-CB 3.97Å; W426-P480 HydrophobicContact CH2-CG 4Å; W426-P480 HydrophobicContact CZ3-CB 4.28Å; W426-P480 HydrophobicContact CZ3-CG 3.8Å; M478-P480 HydrophobicContact CB-CG 4.26Å; P480-V528 HydrophobicContact CB-CG1 3.99Å; P480-V528 HydrophobicContact CG-CG1 3.8Å; P480-P529 WeakPolarHBondContact CD-O 3.44Å; P480-N530 WeakPolarHBondContact CD-O 3.16Å; P480-L531 CarbonylContact O-C 3.51Å; P480-L531 WeakPolarHBondContact O-CA 3.4Å; P480-R532 PolarHBondContact O-N 2.84Å
481	L	96.9	Very high	86.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.3	-171.2	-177.4	59.8	0	0	0	112.8	V420 K479 V483 L505 Q509 R532 L534 L590 V593	V420-L481 HydrophobicContact CB-CB 3.9Å; V420-L481 HydrophobicContact CG1-CB 4.43Å; V420-L481 PolarHBondContact O-N 3.01Å; K479-L481 PolarHBondContact O-N 2.93Å; L481-V483 HydrophobicContact CD2-CG2 3.88Å; L481-V483 HydrophobicContact CG-CG2 3.95Å; L481-L505 HydrophobicContact CD2-CD1 4.4Å; L481-Q509 WeakPolarHBondContact O-CB 3.18Å; L481-Q509 VanDerWaalsContact O-CG 3.29Å; L481-Q509 WeakPolarHBondContact O-CG 3.47Å; L481-Q509 PolarHBondContact O-OE1 3.13Å; L481-R532 WeakPolarHBondContact CA-O 3.37Å; L481-R532 HydrophobicContact CD1-CB 4.16Å; L481-L534 HydrophobicContact CD1-CB 3.98Å; L481-L590 HydrophobicContact CD2-CD2 3.57Å; L481-V593 HydrophobicContact CD1-CG1 3.6Å; L481-V593 HydrophobicContact CD2-CG1 3.9Å; L481-V593 HydrophobicContact CG-CG1 4.38Å
482	L	97.4	Very high	86.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.6	157.8	-53	-177.6	0	0	0	109.7	I422 F484 Q509 F511 L522 Y525 L531 R532 I533 L534	I422-L482 HydrophobicContact CD1-CD2 3.76Å; L482-F484 HydrophobicContact CB-CE2 3.88Å; L482-F484 HydrophobicContact CB-CZ 4.42Å; L482-F484 HydrophobicContact CD1-CE2 4.14Å; L482-F484 HydrophobicContact CD1-CZ 4.15Å; L482-Q509 HydrophobicContact CD2-CB 4.21Å; L482-F511 HydrophobicContact CD2-CE2 4.46Å; L482-L522 HydrophobicContact CD1-CD2 4.29Å; L482-Y525 HydrophobicContact CD1-CD2 4.13Å; L482-Y525 HydrophobicContact CD1-CG 4.29Å; L482-Y525 HydrophobicContact CD2-CD1 4.23Å; L482-Y525 HydrophobicContact CD2-CD2 3.46Å; L482-Y525 VanDerWaalsContact CD2-CD2 3.46Å; L482-Y525 HydrophobicContact CD2-CE2 3.83Å; L482-Y525 HydrophobicContact CD2-CG 3.68Å; L482-Y525 HydrophobicContact CG-CD2 4.45Å; L482-L531 HydrophobicContact CD1-CD1 4.27Å; L482-L531 HydrophobicContact CD1-CD2 4.1Å; L482-L531 HydrophobicContact CD1-CG 4.5Å; L482-L531 HydrophobicContact CD2-CD1 4.24Å; L482-L531 HydrophobicContact CG-CD1 3.87Å; L482-L531 HydrophobicContact CG-CG 4.43Å; L482-R532 PolarHBondContact N-O 3.35Å; L482-I533 CarbonylContact O-C 3.55Å; L482-I533 WeakPolarHBondContact O-CA 3.38Å; L482-L534 PolarHBondContact O-N 3.41Å
483	V	97.9	Very high	86.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.7	175.1	-173.8	0	0	0	0	108.9	L481 V485 F501 L505 Q509 V510 F511 L534	L481-V483 HydrophobicContact CD2-CG2 3.88Å; L481-V483 HydrophobicContact CG-CG2 3.95Å; V483-V485 HydrophobicContact CG1-CG2 3.84Å; V483-F501 HydrophobicContact CG1-CD1 4.35Å; V483-F501 HydrophobicContact CG1-CD2 3.8Å; V483-F501 HydrophobicContact CG1-CE1 4.47Å; V483-F501 HydrophobicContact CG1-CE2 3.92Å; V483-F501 HydrophobicContact CG1-CG 4.03Å; V483-F501 HydrophobicContact CG1-CZ 4.27Å; V483-F501 HydrophobicContact CG2-CD1 4.02Å; V483-F501 HydrophobicContact CG2-CE1 4.25Å; V483-F501 HydrophobicContact CG2-CG 4.36Å; V483-L505 HydrophobicContact CG2-CD1 3.56Å; V483-Q509 PolarHBondContact N-O 3.18Å; V483-V510 CarbonylContact O-C 3.48Å; V483-V510 WeakPolarHBondContact O-CA 3.45Å; V483-F511 PolarHBondContact O-N 3.24Å; V483-L534 WeakPolarHBondContact CA-O 3.5Å; V483-L534 HydrophobicContact CG1-CB 4.46Å; V483-L534 HydrophobicContact CG1-CD2 4.16Å; V483-L534 HydrophobicContact CG1-CG 4.43Å; V483-L534 HydrophobicContact CG2-CB 4.33Å; V483-L534 HydrophobicContact CG2-CD2 4.34Å
484	F	97.8	Very high	86.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.6	173.1	-65.6	-83.2	0	0	0	109	L482 F511 L513 P518 L522 I533 L534 C536 I545	L482-F484 HydrophobicContact CB-CE2 3.88Å; L482-F484 HydrophobicContact CB-CZ 4.42Å; L482-F484 HydrophobicContact CD1-CE2 4.14Å; L482-F484 HydrophobicContact CD1-CZ 4.15Å; F484-F511 HydrophobicContact CD1-CB 3.47Å; F484-F511 VanDerWaalsContact CD1-CB 3.47Å; F484-F511 HydrophobicContact CD1-CD2 4.38Å; F484-F511 HydrophobicContact CD1-CG 4.07Å; F484-F511 HydrophobicContact CE1-CB 3.71Å; F484-F511 HydrophobicContact CE1-CD1 4.44Å; F484-F511 AromaticContact CE1-CD2 3.9Å; F484-F511 HydrophobicContact CE1-CD2 3.9Å; F484-F511 AromaticContact CE1-CG 3.76Å; F484-F511 HydrophobicContact CE1-CG 3.76Å; F484-F511 HydrophobicContact CG-CB 4.36Å; F484-F511 HydrophobicContact CZ-CD2 4.27Å; F484-L513 HydrophobicContact CB-CD1 4.12Å; F484-L513 HydrophobicContact CB-CD2 3.94Å; F484-L513 HydrophobicContact CB-CG 3.99Å; F484-L513 HydrophobicContact CD1-CD2 3.91Å; F484-L513 HydrophobicContact CG-CD2 4.27Å; F484-P518 HydrophobicContact CD1-CB 3.98Å; F484-P518 HydrophobicContact CE1-CB 3.9Å; F484-P518 HydrophobicContact CZ-CB 4.36Å; F484-L522 HydrophobicContact CE2-CD2 3.88Å; F484-L522 HydrophobicContact CE2-CG 4.28Å; F484-L522 HydrophobicContact CZ-CD2 3.91Å; F484-L522 HydrophobicContact CZ-CG 3.88Å; F484-I533 HydrophobicContact CD2-CG2 3.81Å; F484-I533 HydrophobicContact CE2-CG2 4.05Å; F484-L534 PolarHBondContact N-O 2.96Å; F484-C536 PolarHBondContact O-N 3.06Å; F484-I545 HydrophobicContact CB-CD1 3.82Å; F484-I545 HydrophobicContact CD2-CD1 4.34Å; F484-I545 HydrophobicContact CG-CD1 4.25Å
485	V	96.2	Very high	87.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.9	-176.8	-170.3	0	0	0	0	110.4	V483 P487 I498 F511 L513 C536	V483-V485 HydrophobicContact CG1-CG2 3.84Å; V485-P487 WeakPolarHBondContact O-CD 3.28Å; V485-I498 HydrophobicContact CB-CB 4.35Å; V485-I498 HydrophobicContact CB-CD1 4.39Å; V485-I498 HydrophobicContact CB-CG1 4.29Å; V485-I498 HydrophobicContact CG1-CB 4.28Å; V485-I498 HydrophobicContact CG2-CB 4.27Å; V485-I498 HydrophobicContact CG2-CG1 4.12Å; V485-F511 PolarHBondContact N-O 3.17Å; V485-L513 PolarHBondContact O-N 3.16Å; V485-C536 HydrophobicContact CB-CB 4.3Å; V485-C536 HydrophobicContact CG1-CB 4.1Å; V485-C536 HydrophobicContact CG2-CB 4.09Å
486	N	93.4	Very high	88	Confident	38 Å²	38	48.5 Å²	48.5	20%	0.203	25%	0.253	C	S	.	.			trans	-88	108.3	162.6	-177.3	-13.5	0	0	0	108.5	K488 S489 L513 C536 T541	N486-K488 PolarHBondContact O-N 3.4Å; N486-K488 PolarHBondContact OD1-N 3.02Å; N486-S489 WeakPolarHBondContact CB-OG 3.37Å; N486-S489 VanDerWaalsContact CG-OG 3.27Å; N486-S489 PolarHBondContact ND2-OG 3.22Å; N486-S489 PolarHBondContact O-N 2.99Å; N486-L513 HydrophobicContact CB-CD1 4.31Å; N486-C536 PolarHBondContact N-O 3.46Å; N486-T541 HydrophobicContact CB-CG2 4.15Å
487	P	89.9	Confident	88.9	Confident	17 Å²	17	39.8 Å²	39.8	11%	0.11	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.7	-173.3	-21.3	34.2	0	0	0	114.1	V485 A495 D512 T514	V485-P487 WeakPolarHBondContact O-CD 3.28Å; P487-A495 HydrophobicContact CB-CB 4.18Å; P487-A495 PolarHBondContact O-N 3.36Å; P487-D512 WeakPolarHBondContact CD-OD1 3.45Å; P487-D512 WeakPolarHBondContact CG-OD1 3.47Å; P487-T514 HydrophobicContact CG-CG2 4.42Å
488	K	85.3	Confident	89.5	Confident	158 Å²	158	33 Å²	33	69%	0.687	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-26	-179	-62.4	-174.2	177.3	-174.7	0	112.6	N486 N492	N486-K488 PolarHBondContact O-N 3.4Å; N486-K488 PolarHBondContact OD1-N 3.02Å; K488-N492 PolarHBondContact O-N 3.35Å
489	S	85.4	Confident	89.7	Confident	18 Å²	18	33.5 Å²	33.5	13%	0.126	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	150.4	-176.3	-58.6	0	0	0	0	112.9	N486 Q493 G494	N486-S489 WeakPolarHBondContact CB-OG 3.37Å; N486-S489 VanDerWaalsContact CG-OG 3.27Å; N486-S489 PolarHBondContact ND2-OG 3.22Å; N486-S489 PolarHBondContact O-N 2.99Å; S489-Q493 PolarHBondContact O-N 3.38Å; S489-G494 PolarHBondContact O-N 3.45Å; S489-G494 VanDerWaalsContact O-N 3.13Å
490	G	77.6	Confident	89.7	Confident	11 Å²	11	32.4 Å²	32.4	11%	0.113	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	27.9	177.1	0	0	0	0	0	114.1	Q493 L565	G490-Q493 WeakPolarHBondContact O-CB 3.36Å; G490-Q493 WeakPolarHBondContact O-CG 3.41Å; G490-Q493 PolarHBondContact O-N 3.3Å; G490-L565 WeakPolarHBondContact CA-O 3.45Å; G490-L565 PolarHBondContact N-O 2.94Å
491	G	76.6	Confident	89.8	Confident	38 Å²	38	32.4 Å²	32.4	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	52.7	-173.1	0	0	0	0	0	111.4	Q493 N660	G491-Q493 PolarHBondContact O-N 3.39Å; G491-N660 WeakPolarHBondContact CA-O 3.41Å
492	N	77.2	Confident	89.7	Confident	99 Å²	99	32.8 Å²	32.8	53%	0.529	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	14	-174.1	-55.2	-50.1	0	0	0	115.6	K488 G494 A495	K488-N492 PolarHBondContact O-N 3.35Å; N492-G494 PolarHBondContact O-N 2.91Å; N492-A495 PolarHBondContact O-N 2.69Å
493	Q	84.8	Confident	89.5	Confident	35 Å²	35	34.7 Å²	34.7	16%	0.164	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-37.9	168.5	-80.7	171.2	13.3	0	0	111.6	S489 G490 G491 A495 K496 I497	S489-Q493 PolarHBondContact O-N 3.38Å; G490-Q493 WeakPolarHBondContact O-CB 3.36Å; G490-Q493 WeakPolarHBondContact O-CG 3.41Å; G490-Q493 PolarHBondContact O-N 3.3Å; G491-Q493 PolarHBondContact O-N 3.39Å; Q493-A495 VanDerWaalsContact C-N 3.26Å; Q493-A495 PolarHBondContact O-N 3.3Å; Q493-K496 WeakPolarHBondContact O-CB 3.27Å; Q493-K496 PolarHBondContact O-N 2.92Å; Q493-I497 HydrophobicContact CB-CD1 4.11Å; Q493-I497 WeakPolarHBondContact O-CB 3.42Å; Q493-I497 VanDerWaalsContact O-CG1 3.29Å; Q493-I497 WeakPolarHBondContact O-CG1 3.47Å; Q493-I497 PolarHBondContact O-N 2.8Å
494	G	89.2	Confident	89.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-53.3	-41	176.3	0	0	0	0	0	113.5	S489 N492 K496 I497 I498	S489-G494 PolarHBondContact O-N 3.45Å; S489-G494 VanDerWaalsContact O-N 3.13Å; N492-G494 PolarHBondContact O-N 2.91Å; G494-K496 VanDerWaalsContact C-N 3.3Å; G494-K496 PolarHBondContact O-N 2.73Å; G494-I497 PolarHBondContact O-N 3.24Å; G494-I498 PolarHBondContact O-N 2.7Å
495	A	87.5	Confident	89.2	Confident	39 Å²	39	37.6 Å²	37.6	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-68	-23.2	177.4	0	0	0	0	0	114.3	P487 N492 Q493 Q499	P487-A495 HydrophobicContact CB-CB 4.18Å; P487-A495 PolarHBondContact O-N 3.36Å; N492-A495 PolarHBondContact O-N 2.69Å; Q493-A495 VanDerWaalsContact C-N 3.26Å; Q493-A495 PolarHBondContact O-N 3.3Å; A495-Q499 PolarHBondContact O-NE2 3Å
496	K	87.9	Confident	89.2	Confident	131 Å²	131	37.6 Å²	37.6	57%	0.57	20%	0.2	S	C	*	.	H	α-helix	trans	-79.8	-47.5	169	-59.3	176.5	-177.6	173.6	0	110.6	Q493 G494 I498 Q499 S500	Q493-K496 WeakPolarHBondContact O-CB 3.27Å; Q493-K496 PolarHBondContact O-N 2.92Å; G494-K496 VanDerWaalsContact C-N 3.3Å; G494-K496 PolarHBondContact O-N 2.73Å; K496-I498 PolarHBondContact O-N 3.25Å; K496-Q499 WeakPolarHBondContact O-CB 3.49Å; K496-Q499 PolarHBondContact O-N 3.23Å; K496-S500 PolarHBondContact O-N 2.89Å
497	I	92.3	Very high	89.2	Confident	2 Å²	2	36 Å²	36	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-41.3	-174	-71.7	165.8	0	0	0	112	Q493 G494 Q499 S500 F501 L563 L565 Y581	Q493-I497 HydrophobicContact CB-CD1 4.11Å; Q493-I497 WeakPolarHBondContact O-CB 3.42Å; Q493-I497 VanDerWaalsContact O-CG1 3.29Å; Q493-I497 WeakPolarHBondContact O-CG1 3.47Å; Q493-I497 PolarHBondContact O-N 2.8Å; G494-I497 PolarHBondContact O-N 3.24Å; I497-Q499 VanDerWaalsContact C-N 3.27Å; I497-Q499 PolarHBondContact O-N 2.99Å; I497-S500 WeakPolarHBondContact O-CA 3.4Å; I497-S500 WeakPolarHBondContact O-CB 3.42Å; I497-S500 PolarHBondContact O-N 2.87Å; I497-F501 HydrophobicContact CG2-CD2 3.53Å; I497-F501 HydrophobicContact CG2-CE2 3.36Å; I497-F501 PolarHBondContact O-N 2.89Å; I497-L563 HydrophobicContact CD1-CD2 4.28Å; I497-L563 HydrophobicContact CG2-CD2 4.04Å; I497-L565 HydrophobicContact CD1-CD1 3.84Å; I497-L565 HydrophobicContact CD1-CD2 3.52Å; I497-L565 HydrophobicContact CD1-CG 4.34Å; I497-Y581 HydrophobicContact CD1-CD1 3.71Å; I497-Y581 HydrophobicContact CD1-CE1 3.5Å; I497-Y581 HydrophobicContact CD1-CG 4.35Å; I497-Y581 HydrophobicContact CG1-CE1 3.87Å
498	I	92	Very high	89.4	Confident	8 Å²	8	35.4 Å²	35.4	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-39.6	178.9	-159.6	177.8	0	0	0	112	V485 G494 K496 S500 F501 M502 V510 D512	V485-I498 HydrophobicContact CB-CB 4.35Å; V485-I498 HydrophobicContact CB-CD1 4.39Å; V485-I498 HydrophobicContact CB-CG1 4.29Å; V485-I498 HydrophobicContact CG1-CB 4.28Å; V485-I498 HydrophobicContact CG2-CB 4.27Å; V485-I498 HydrophobicContact CG2-CG1 4.12Å; G494-I498 PolarHBondContact O-N 2.7Å; K496-I498 PolarHBondContact O-N 3.25Å; I498-S500 PolarHBondContact O-N 2.75Å; I498-F501 PolarHBondContact O-N 3.17Å; I498-M502 HydrophobicContact CD1-CE 4.23Å; I498-M502 HydrophobicContact CG1-CE 4.17Å; I498-M502 WeakPolarHBondContact O-CG 3.36Å; I498-M502 PolarHBondContact O-N 3.31Å; I498-V510 HydrophobicContact CD1-CG1 4.42Å; I498-V510 HydrophobicContact CG1-CG1 3.59Å; I498-D512 HydrophobicContact CD1-CB 3.84Å
499	Q	91.3	Very high	89.9	Confident	43 Å²	43	27.9 Å²	27.9	20%	0.201	16%	0.155	C	C	.	.	H	α-helix	trans	-69.7	-21.9	177	-53.6	-178.4	31.8	0	0	113.1	F282 A313 K316 A495 K496 I497	F282-Q499 HydrophobicContact CB-CG 4.43Å; F282-Q499 HydrophobicContact CD1-CG 3.74Å; F282-Q499 HydrophobicContact CD2-CG 3.94Å; F282-Q499 HydrophobicContact CE1-CG 3.91Å; F282-Q499 HydrophobicContact CE2-CG 4.1Å; F282-Q499 HydrophobicContact CG-CG 3.75Å; F282-Q499 HydrophobicContact CZ-CG 4.09Å; A313-Q499 HydrophobicContact CB-CB 4.37Å; K316-Q499 VanDerWaalsContact CE-O 3.24Å; K316-Q499 WeakPolarHBondContact CE-O 3.5Å; K316-Q499 PolarHBondContact NZ-O 2.81Å; A495-Q499 PolarHBondContact O-NE2 3Å; K496-Q499 WeakPolarHBondContact O-CB 3.49Å; K496-Q499 PolarHBondContact O-N 3.23Å; I497-Q499 VanDerWaalsContact C-N 3.27Å; I497-Q499 PolarHBondContact O-N 2.99Å
500	S	92.6	Very high	90.3	Very high	43 Å²	43	27.3 Å²	27.3	30%	0.301	15%	0.15	S	C	.	.	H	α-helix	trans	-85.1	-40	177.5	-66.5	0	0	0	0	111	K496 I497 I498 W503 Y504	K496-S500 PolarHBondContact O-N 2.89Å; I497-S500 WeakPolarHBondContact O-CA 3.4Å; I497-S500 WeakPolarHBondContact O-CB 3.42Å; I497-S500 PolarHBondContact O-N 2.87Å; I498-S500 PolarHBondContact O-N 2.75Å; S500-W503 WeakPolarHBondContact O-CB 3.08Å; S500-W503 PolarHBondContact O-N 3.22Å; S500-Y504 VanDerWaalsContact O-CD2 3.28Å; S500-Y504 WeakPolarHBondContact O-CD2 3.31Å; S500-Y504 PolarHBondContact O-N 2.91Å; S500-Y504 VanDerWaalsContact O-N 3.17Å
501	F	95.9	Very high	91.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-45.6	169.5	-78.7	-65.2	0	0	0	112.2	V483 I497 I498 W503 Y504 L505 V510 L534 L563 I586 I589 L590	V483-F501 HydrophobicContact CG1-CD1 4.35Å; V483-F501 HydrophobicContact CG1-CD2 3.8Å; V483-F501 HydrophobicContact CG1-CE1 4.47Å; V483-F501 HydrophobicContact CG1-CE2 3.92Å; V483-F501 HydrophobicContact CG1-CG 4.03Å; V483-F501 HydrophobicContact CG1-CZ 4.27Å; V483-F501 HydrophobicContact CG2-CD1 4.02Å; V483-F501 HydrophobicContact CG2-CE1 4.25Å; V483-F501 HydrophobicContact CG2-CG 4.36Å; I497-F501 HydrophobicContact CG2-CD2 3.53Å; I497-F501 HydrophobicContact CG2-CE2 3.36Å; I497-F501 PolarHBondContact O-N 2.89Å; I498-F501 PolarHBondContact O-N 3.17Å; F501-W503 PolarHBondContact O-N 3.47Å; F501-W503 VanDerWaalsContact O-N 3.11Å; F501-Y504 PolarHBondContact O-N 2.95Å; F501-L505 HydrophobicContact CB-CD1 4.44Å; F501-L505 HydrophobicContact CD1-CD1 3.84Å; F501-L505 HydrophobicContact CD1-CG 4.44Å; F501-L505 VanDerWaalsContact O-CB 3.3Å; F501-L505 WeakPolarHBondContact O-CB 3.43Å; F501-L505 PolarHBondContact O-N 2.79Å; F501-V510 HydrophobicContact CB-CG1 4Å; F501-V510 HydrophobicContact CB-CG2 3.85Å; F501-L534 HydrophobicContact CE1-CD2 3.91Å; F501-L534 HydrophobicContact CE2-CD2 4.26Å; F501-L534 HydrophobicContact CZ-CD2 3.47Å; F501-L534 VanDerWaalsContact CZ-CD2 3.47Å; F501-L563 HydrophobicContact CE2-CD2 4.14Å; F501-L563 HydrophobicContact CZ-CD2 4.4Å; F501-I586 HydrophobicContact CD1-CG2 3.71Å; F501-I586 HydrophobicContact CE1-CG2 3.55Å; F501-I586 HydrophobicContact CE2-CD1 4.19Å; F501-I586 HydrophobicContact CG-CG2 4.45Å; F501-I586 HydrophobicContact CZ-CD1 4.1Å; F501-I586 HydrophobicContact CZ-CG2 4.18Å; F501-I589 HydrophobicContact CZ-CG2 4.35Å; F501-L590 HydrophobicContact CD1-CD2 4.46Å; F501-L590 HydrophobicContact CE1-CD2 4.07Å; F501-L590 HydrophobicContact CE1-CG 4.5Å
502	M	94.6	Very high	92	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-24.5	175.5	-72.6	-172	-173.8	0	0	113.8	I268 I280 F282 A313 K335 I498 P507 V510	I268-M502 HydrophobicContact CD1-CE 3.75Å; I268-M502 HydrophobicContact CD1-SD 4.43Å; I268-M502 HydrophobicContact CG1-CE 4.24Å; I280-M502 HydrophobicContact CD1-SD 4.14Å; I280-M502 HydrophobicContact CG2-SD 4.29Å; F282-M502 HydrophobicContact CE2-SD 4.22Å; F282-M502 HydrophobicContact CZ-SD 4.4Å; A313-M502 HydrophobicContact CB-CB 3.89Å; A313-M502 HydrophobicContact CB-SD 4.06Å; K335-M502 PolarHBondContact NZ-O 2.79Å; I498-M502 HydrophobicContact CD1-CE 4.23Å; I498-M502 HydrophobicContact CG1-CE 4.17Å; I498-M502 WeakPolarHBondContact O-CG 3.36Å; I498-M502 PolarHBondContact O-N 3.31Å; M502-P507 HydrophobicContact CB-CB 4.4Å; M502-P507 HydrophobicContact CB-CG 4.38Å; M502-P507 HydrophobicContact CG-CB 4.16Å; M502-P507 HydrophobicContact SD-CB 4.47Å; M502-V510 HydrophobicContact CG-CB 4.03Å; M502-V510 HydrophobicContact CG-CG1 4.15Å; M502-V510 HydrophobicContact CG-CG2 4.25Å
503	W	93.3	Very high	92.8	Very high	40 Å²	40	22.9 Å²	22.9	15%	0.152	11%	0.114	C	C	.	.	H	α-helix	trans	-75.4	-51.5	173.4	162.5	-116.1	0	0	0	112.1	A313 K316 K335 K393 S500 F501	A313-W503 WeakPolarHBondContact O-CA 3.46Å; A313-W503 WeakPolarHBondContact O-CB 3.48Å; A313-W503 PolarHBondContact O-N 3.46Å; K316-W503 HydrophobicContact CB-CE3 4.16Å; K316-W503 HydrophobicContact CB-CZ3 4.38Å; K316-W503 HydrophobicContact CD-CB 4.49Å; K316-W503 HydrophobicContact CG-CB 4.12Å; K316-W503 HydrophobicContact CG-CD2 3.69Å; K316-W503 HydrophobicContact CG-CE3 3.62Å; K316-W503 HydrophobicContact CG-CG 3.92Å; K316-W503 HydrophobicContact CG-CZ3 4.33Å; K335-W503 PolarHBondContact NZ-O 3.36Å; K393-W503 HydrophobicContact CD-CH2 4.21Å; K393-W503 HydrophobicContact CD-CZ2 3.68Å; K393-W503 VanDerWaalsContact NZ-CD2 3.34Å; K393-W503 PolarHBondContact NZ-O 3Å; S500-W503 WeakPolarHBondContact O-CB 3.08Å; S500-W503 PolarHBondContact O-N 3.22Å; F501-W503 PolarHBondContact O-N 3.47Å; F501-W503 VanDerWaalsContact O-N 3.11Å
504	Y	94.5	Very high	93	Very high	62 Å²	62	25 Å²	25	24%	0.243	13%	0.129	C	C	.	.	H	α-helix	trans	-72.5	-41.4	-178.2	-72.3	-70.7	0	0	0	113	S500 F501 I586 T587	S500-Y504 VanDerWaalsContact O-CD2 3.28Å; S500-Y504 WeakPolarHBondContact O-CD2 3.31Å; S500-Y504 PolarHBondContact O-N 2.91Å; S500-Y504 VanDerWaalsContact O-N 3.17Å; F501-Y504 PolarHBondContact O-N 2.95Å; Y504-I586 HydrophobicContact CD2-CB 3.79Å; Y504-I586 HydrophobicContact CD2-CG1 4.47Å; Y504-I586 HydrophobicContact CD2-CG2 3.71Å; Y504-I586 HydrophobicContact CE2-CB 3.86Å; Y504-I586 HydrophobicContact CE2-CG1 4.42Å; Y504-I586 HydrophobicContact CE2-CG2 4.31Å; Y504-I586 HydrophobicContact CG-CG2 4.4Å; Y504-T587 HydrophobicContact CD1-CG2 3.96Å; Y504-T587 HydrophobicContact CE1-CG2 3.55Å
505	L	95.7	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-95.7	179.1	-174.9	-57.1	-177.2	0	0	0	112.5	K335 V420 I421 L481 V483 F501 Q509 V510 L590	K335-L505 PolarHBondContact NZ-O 3.18Å; V420-L505 HydrophobicContact CG2-CD2 4.48Å; I421-L505 HydrophobicContact CG1-CD2 3.78Å; L481-L505 HydrophobicContact CD2-CD1 4.4Å; V483-L505 HydrophobicContact CG2-CD1 3.56Å; F501-L505 HydrophobicContact CB-CD1 4.44Å; F501-L505 HydrophobicContact CD1-CD1 3.84Å; F501-L505 HydrophobicContact CD1-CG 4.44Å; F501-L505 VanDerWaalsContact O-CB 3.3Å; F501-L505 WeakPolarHBondContact O-CB 3.43Å; F501-L505 PolarHBondContact O-N 2.79Å; L505-Q509 HydrophobicContact CB-CG 3.97Å; L505-Q509 HydrophobicContact CD1-CG 3.99Å; L505-V510 HydrophobicContact CB-CG2 4.33Å; L505-V510 HydrophobicContact CD1-CG2 4.3Å; L505-L590 HydrophobicContact CD1-CD2 4.23Å; L505-L590 HydrophobicContact CD2-CD1 3.83Å; L505-L590 HydrophobicContact CD2-CD2 3.89Å; L505-L590 HydrophobicContact CG-CD1 4.48Å; L505-L590 HydrophobicContact CG-CD2 4.42Å
506	N	95.3	Very high	92.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.			trans	-75.1	124.7	163.1	-179	-10.8	0	0	0	107.8	S337 W391 I422 R508 Q509	S337-N506 WeakPolarHBondContact CA-OD1 3.16Å; S337-N506 WeakPolarHBondContact CB-OD1 3.32Å; S337-N506 PolarHBondContact O-ND2 3.08Å; S337-N506 PolarHBondContact O-OD1 3.4Å; W391-N506 HydrophobicContact CH2-CB 3.63Å; W391-N506 HydrophobicContact CZ3-CB 3.93Å; I422-N506 VanDerWaalsContact O-CB 3.24Å; I422-N506 WeakPolarHBondContact O-CB 3.4Å; I422-N506 PolarHBondContact O-ND2 2.86Å; N506-R508 PolarHBondContact O-N 3.04Å; N506-R508 PolarHBondContact OD1-N 3.21Å; N506-Q509 VanDerWaalsContact CB-NE2 3.33Å; N506-Q509 VanDerWaalsContact N-NE2 3.18Å; N506-Q509 WeakPolarHBondContact O-CG 3.49Å; N506-Q509 PolarHBondContact O-N 3.06Å; N506-Q509 PolarHBondContact O-NE2 2.87Å
507	P	94.4	Very high	92.6	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.026	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-50.1	-35.1	-177.4	-29.5	34.4	0	0	0	113.7	I268 I280 M502 Q509 V510	I268-P507 VanDerWaalsContact CD1-C 3.41Å; I268-P507 HydrophobicContact CD1-CB 3.67Å; I268-P507 WeakPolarHBondContact CD1-O 3.31Å; I268-P507 HydrophobicContact CG1-CB 4.38Å; I280-P507 HydrophobicContact CD1-CB 3.48Å; I280-P507 VanDerWaalsContact CD1-CB 3.48Å; I280-P507 HydrophobicContact CD1-CG 3.84Å; M502-P507 HydrophobicContact CB-CB 4.4Å; M502-P507 HydrophobicContact CB-CG 4.38Å; M502-P507 HydrophobicContact CG-CB 4.16Å; M502-P507 HydrophobicContact SD-CB 4.47Å; P507-Q509 PolarHBondContact O-N 3.01Å; P507-V510 PolarHBondContact O-N 3.18Å
508	R	93.9	Very high	92.7	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.019	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-68	1.9	178.5	-77.5	-175.2	-169.9	-74.3	-4.2	115.9	I268 D269 W270 S337 I427 N506 Y525	I268-R508 HydrophobicContact CG2-CG 3.87Å; D269-R508 VanDerWaalsContact O-CZ 3.23Å; D269-R508 PolarHBondContact O-NH1 3.48Å; D269-R508 PolarHBondContact O-NH2 3.3Å; W270-R508 HydrophobicContact CH2-CB 3.54Å; W270-R508 HydrophobicContact CH2-CG 3.63Å; W270-R508 WeakPolarHBondContact CH2-O 3.29Å; W270-R508 HydrophobicContact CZ2-CB 3.93Å; W270-R508 HydrophobicContact CZ2-CG 3.88Å; W270-R508 HydrophobicContact CZ3-CB 4.32Å; W270-R508 HydrophobicContact CZ3-CG 4.05Å; S337-R508 PolarHBondContact OG-NE 2.87Å; S337-R508 VanDerWaalsContact OG-NE 3.1Å; I427-R508 HydrophobicContact CD1-CB 3.7Å; N506-R508 PolarHBondContact O-N 3.04Å; N506-R508 PolarHBondContact OD1-N 3.21Å; R508-Y525 WeakPolarHBondContact O-CE2 3.37Å; R508-Y525 PolarHBondContact O-OH 3.36Å
509	Q	94.9	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-106.7	2.4	166.9	87.9	-154.9	-128.6	0	0	113.2	V420 I422 L481 L482 V483 L505 N506 P507	V420-Q509 PolarHBondContact O-OE1 2.76Å; I422-Q509 HydrophobicContact CD1-CB 3.87Å; I422-Q509 HydrophobicContact CG1-CB 4.29Å; I422-Q509 VanDerWaalsContact N-NE2 3.18Å; L481-Q509 WeakPolarHBondContact O-CB 3.18Å; L481-Q509 VanDerWaalsContact O-CG 3.29Å; L481-Q509 WeakPolarHBondContact O-CG 3.47Å; L481-Q509 PolarHBondContact O-OE1 3.13Å; L482-Q509 HydrophobicContact CD2-CB 4.21Å; V483-Q509 PolarHBondContact N-O 3.18Å; L505-Q509 HydrophobicContact CB-CG 3.97Å; L505-Q509 HydrophobicContact CD1-CG 3.99Å; N506-Q509 VanDerWaalsContact CB-NE2 3.33Å; N506-Q509 VanDerWaalsContact N-NE2 3.18Å; N506-Q509 WeakPolarHBondContact O-CG 3.49Å; N506-Q509 PolarHBondContact O-N 3.06Å; N506-Q509 PolarHBondContact O-NE2 2.87Å; P507-Q509 PolarHBondContact O-N 3.01Å
510	V	95.8	Very high	92.7	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.036	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.1	-179.7	-171.5	0	0	0	0	108.5	V483 I498 F501 M502 L505 P507	V483-V510 CarbonylContact O-C 3.48Å; V483-V510 WeakPolarHBondContact O-CA 3.45Å; I498-V510 HydrophobicContact CD1-CG1 4.42Å; I498-V510 HydrophobicContact CG1-CG1 3.59Å; F501-V510 HydrophobicContact CB-CG1 4Å; F501-V510 HydrophobicContact CB-CG2 3.85Å; M502-V510 HydrophobicContact CG-CB 4.03Å; M502-V510 HydrophobicContact CG-CG1 4.15Å; M502-V510 HydrophobicContact CG-CG2 4.25Å; L505-V510 HydrophobicContact CB-CG2 4.33Å; L505-V510 HydrophobicContact CD1-CG2 4.3Å; P507-V510 PolarHBondContact O-N 3.18Å
511	F	95.1	Very high	92.6	Very high	21 Å²	21	31.4 Å²	31.4	9%	0.092	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.8	-174.2	-72	-89.2	0	0	0	111.1	W270 L482 V483 F484 V485 G521 Y525	W270-F511 HydrophobicContact CH2-CZ 4.44Å; W270-F511 AromaticContact CZ2-CE1 3.99Å; W270-F511 HydrophobicContact CZ2-CE1 3.99Å; W270-F511 AromaticContact CZ2-CZ 3.87Å; W270-F511 HydrophobicContact CZ2-CZ 3.87Å; L482-F511 HydrophobicContact CD2-CE2 4.46Å; V483-F511 PolarHBondContact O-N 3.24Å; F484-F511 HydrophobicContact CD1-CB 3.47Å; F484-F511 VanDerWaalsContact CD1-CB 3.47Å; F484-F511 HydrophobicContact CD1-CD2 4.38Å; F484-F511 HydrophobicContact CD1-CG 4.07Å; F484-F511 HydrophobicContact CE1-CB 3.71Å; F484-F511 HydrophobicContact CE1-CD1 4.44Å; F484-F511 AromaticContact CE1-CD2 3.9Å; F484-F511 HydrophobicContact CE1-CD2 3.9Å; F484-F511 AromaticContact CE1-CG 3.76Å; F484-F511 HydrophobicContact CE1-CG 3.76Å; F484-F511 HydrophobicContact CG-CB 4.36Å; F484-F511 HydrophobicContact CZ-CD2 4.27Å; V485-F511 PolarHBondContact N-O 3.17Å; F511-G521 VanDerWaalsContact CZ-CA 3.44Å; F511-Y525 HydrophobicContact CE2-CD2 4.29Å; F511-Y525 AromaticContact CE2-CE2 3.92Å; F511-Y525 HydrophobicContact CE2-CE2 3.92Å; F511-Y525 HydrophobicContact CZ-CD2 4.32Å; F511-Y525 AromaticContact CZ-CE2 3.88Å; F511-Y525 HydrophobicContact CZ-CE2 3.88Å
512	D	93.7	Very high	92.5	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.144	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114	171.9	-178.7	-21.1	0	0	0	108.3	P487 I498 T514 K515	P487-D512 WeakPolarHBondContact CD-OD1 3.45Å; P487-D512 WeakPolarHBondContact CG-OD1 3.47Å; I498-D512 HydrophobicContact CD1-CB 3.84Å; D512-T514 VanDerWaalsContact CG-OG1 3.31Å; D512-T514 PolarHBondContact O-N 3.26Å; D512-T514 WeakPolarHBondContact OD1-CB 3.49Å; D512-T514 PolarHBondContact OD1-N 2.78Å; D512-T514 PolarHBondContact OD1-OG1 3.43Å; D512-T514 PolarHBondContact OD2-OG1 2.93Å; D512-K515 HydrophobicContact CB-CB 4.33Å; D512-K515 HydrophobicContact CB-CD 4.31Å; D512-K515 HydrophobicContact CB-CG 4.31Å; D512-K515 PolarHBondContact O-N 3.33Å; D512-K515 IonicContact OD2-NZ 3.09Å; D512-K515 PolarHBondContact OD2-NZ 2.82Å
513	L	93.3	Very high	92.4	Very high	6 Å²	6	34 Å²	34	3%	0.031	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	-176.5	-74.2	172.6	0	0	0	113.2	F484 V485 N486 K515 G517 P518 T541 W544 I545	F484-L513 HydrophobicContact CB-CD1 4.12Å; F484-L513 HydrophobicContact CB-CD2 3.94Å; F484-L513 HydrophobicContact CB-CG 3.99Å; F484-L513 HydrophobicContact CD1-CD2 3.91Å; F484-L513 HydrophobicContact CG-CD2 4.27Å; V485-L513 PolarHBondContact O-N 3.16Å; N486-L513 HydrophobicContact CB-CD1 4.31Å; L513-K515 PolarHBondContact O-N 2.86Å; L513-G517 WeakPolarHBondContact O-CA 3.46Å; L513-G517 PolarHBondContact O-N 3.22Å; L513-P518 HydrophobicContact CD2-CB 3.93Å; L513-P518 HydrophobicContact CD2-CG 4.22Å; L513-T541 HydrophobicContact CD1-CG2 3.41Å; L513-T541 VanDerWaalsContact CD1-CG2 3.41Å; L513-W544 HydrophobicContact CB-CZ3 3.94Å; L513-W544 HydrophobicContact CD2-CE3 4.48Å; L513-W544 HydrophobicContact CD2-CZ3 4.21Å; L513-W544 HydrophobicContact CG-CZ3 4.48Å; L513-I545 HydrophobicContact CD1-CD1 4.42Å
514	T	89.6	Confident	92.2	Very high	79 Å²	79	34.4 Å²	34.4	49%	0.485	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.3	173.4	66	0	0	0	0	113.1	P487 D512	P487-T514 HydrophobicContact CG-CG2 4.42Å; D512-T514 VanDerWaalsContact CG-OG1 3.31Å; D512-T514 PolarHBondContact O-N 3.26Å; D512-T514 WeakPolarHBondContact OD1-CB 3.49Å; D512-T514 PolarHBondContact OD1-N 2.78Å; D512-T514 PolarHBondContact OD1-OG1 3.43Å; D512-T514 PolarHBondContact OD2-OG1 2.93Å
515	K	85.3	Confident	92.1	Very high	123 Å²	123	31.5 Å²	31.5	54%	0.535	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	71.5	-175.5	-60.8	-175.8	178.1	62.9	0	110.8	T267 D512 L513	T267-K515 HydrophobicContact CG2-CD 4Å; D512-K515 HydrophobicContact CB-CB 4.33Å; D512-K515 HydrophobicContact CB-CD 4.31Å; D512-K515 HydrophobicContact CB-CG 4.31Å; D512-K515 PolarHBondContact O-N 3.33Å; D512-K515 IonicContact OD2-NZ 3.09Å; D512-K515 PolarHBondContact OD2-NZ 2.82Å; L513-K515 PolarHBondContact O-N 2.86Å
516	G	79.4	Confident	91.9	Very high	56 Å²	56	34 Å²	34	58%	0.577	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	96	0.1	177	0	0	0	0	0	115.8
517	G	90.8	Very high	91.6	Very high	9 Å²	9	39.2 Å²	39.2	9%	0.093	21%	0.207	C	C	.	.			trans	65.3	-164.3	-179.7	0	0	0	0	0	113.6	L513	L513-G517 WeakPolarHBondContact O-CA 3.46Å; L513-G517 PolarHBondContact O-N 3.22Å
518	P	95.1	Very high	91.4	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.019	21%	0.209	C	C	.	.	S	Bend	trans	-83.1	-20.3	-173.5	30.5	-32.4	0	0	0	114.2	F484 L513 E520 G521 L522 W544 I545 V548	F484-P518 HydrophobicContact CD1-CB 3.98Å; F484-P518 HydrophobicContact CE1-CB 3.9Å; F484-P518 HydrophobicContact CZ-CB 4.36Å; L513-P518 HydrophobicContact CD2-CB 3.93Å; L513-P518 HydrophobicContact CD2-CG 4.22Å; P518-E520 PolarHBondContact O-N 3.35Å; P518-G521 PolarHBondContact O-N 3.03Å; P518-L522 HydrophobicContact CB-CD1 4.1Å; P518-L522 WeakPolarHBondContact O-CG 3.41Å; P518-L522 PolarHBondContact O-N 3.36Å; P518-L522 VanDerWaalsContact O-N 3.09Å; P518-W544 HydrophobicContact CG-CD2 4.49Å; P518-I545 HydrophobicContact CB-CG1 4.05Å; P518-I545 HydrophobicContact CG-CG1 4.21Å; P518-V548 HydrophobicContact CG-CB 4.12Å; P518-V548 HydrophobicContact CG-CG1 4.32Å; P518-V548 HydrophobicContact CG-CG2 3.96Å
519	R	93.6	Very high	91.2	Very high	97 Å²	97	41.8 Å²	41.8	37%	0.366	22%	0.223	S	C	.	.	H	α-helix	trans	-56	-53	-169.1	-176.6	-174.5	-62.3	-75.9	-2.9	113.3	G521 L522 E523 V548	R519-G521 VanDerWaalsContact C-N 3.29Å; R519-G521 PolarHBondContact O-N 3.29Å; R519-L522 PolarHBondContact O-N 3.19Å; R519-E523 WeakPolarHBondContact CD-OE1 3.15Å; R519-E523 HydrophobicContact CG-CG 4.32Å; R519-E523 VanDerWaalsContact CG-OE1 3.29Å; R519-E523 WeakPolarHBondContact CG-OE1 3.27Å; R519-E523 PolarHBondContact O-N 2.75Å; R519-V548 HydrophobicContact CB-CG1 4.02Å; R519-V548 HydrophobicContact CG-CG1 4.47Å
520	E	89.2	Confident	91	Very high	114 Å²	114	45.6 Å²	45.6	53%	0.533	24%	0.244	S	C	.	.	H	α-helix	trans	-63	-37	-173	-62	-160.5	149.8	0	0	112.3	P518 M524	P518-E520 PolarHBondContact O-N 3.35Å; E520-M524 VanDerWaalsContact O-CB 3.26Å; E520-M524 WeakPolarHBondContact O-CB 3.24Å; E520-M524 PolarHBondContact O-N 3.3Å
521	G	91.6	Very high	90.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-47.9	174.5	0	0	0	0	0	112.4	F511 P518 R519 E523 M524 Y525	F511-G521 VanDerWaalsContact CZ-CA 3.44Å; P518-G521 PolarHBondContact O-N 3.03Å; R519-G521 VanDerWaalsContact C-N 3.29Å; R519-G521 PolarHBondContact O-N 3.29Å; G521-E523 PolarHBondContact O-N 3.18Å; G521-M524 PolarHBondContact O-N 3.06Å; G521-Y525 WeakPolarHBondContact O-CD2 3.46Å; G521-Y525 PolarHBondContact O-N 3.08Å; G521-Y525 VanDerWaalsContact O-N 3.11Å
522	L	94.1	Very high	90.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-41.3	178.8	-66.9	174.8	0	0	0	112.3	L482 F484 P518 R519 S526 I533 V548 L549 L552	L482-L522 HydrophobicContact CD1-CD2 4.29Å; F484-L522 HydrophobicContact CE2-CD2 3.88Å; F484-L522 HydrophobicContact CE2-CG 4.28Å; F484-L522 HydrophobicContact CZ-CD2 3.91Å; F484-L522 HydrophobicContact CZ-CG 3.88Å; P518-L522 HydrophobicContact CB-CD1 4.1Å; P518-L522 WeakPolarHBondContact O-CG 3.41Å; P518-L522 PolarHBondContact O-N 3.36Å; P518-L522 VanDerWaalsContact O-N 3.09Å; R519-L522 PolarHBondContact O-N 3.19Å; L522-S526 WeakPolarHBondContact O-CA 3.37Å; L522-S526 WeakPolarHBondContact O-CB 3.45Å; L522-S526 PolarHBondContact O-N 2.91Å; L522-I533 HydrophobicContact CD2-CD1 3.56Å; L522-I533 HydrophobicContact CD2-CG1 4.3Å; L522-V548 HydrophobicContact CD1-CB 4.42Å; L522-V548 HydrophobicContact CD1-CG1 3.92Å; L522-L549 HydrophobicContact CD1-CD2 3.94Å; L522-L549 HydrophobicContact CD1-CG 4.12Å; L522-L549 HydrophobicContact CD2-CD2 3.97Å; L522-L552 HydrophobicContact CB-CD1 3.48Å; L522-L552 VanDerWaalsContact CB-CD1 3.48Å; L522-L552 HydrophobicContact CD1-CD1 4.26Å
523	E	91.6	Very high	91.2	Very high	63 Å²	63	44.8 Å²	44.8	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-46.7	172.7	-80	-176.7	-148.6	0	0	112.4	K466 R519 G521 Y525 S526 L552	K466-E523 IonicContact NZ-OE2 2.92Å; K466-E523 PolarHBondContact NZ-OE2 3.19Å; R519-E523 WeakPolarHBondContact CD-OE1 3.15Å; R519-E523 HydrophobicContact CG-CG 4.32Å; R519-E523 VanDerWaalsContact CG-OE1 3.29Å; R519-E523 WeakPolarHBondContact CG-OE1 3.27Å; R519-E523 PolarHBondContact O-N 2.75Å; G521-E523 PolarHBondContact O-N 3.18Å; E523-Y525 VanDerWaalsContact C-N 3.31Å; E523-Y525 PolarHBondContact O-N 2.89Å; E523-S526 VanDerWaalsContact O-CB 3.31Å; E523-S526 WeakPolarHBondContact O-CB 3.18Å; E523-S526 PolarHBondContact O-N 3.24Å; E523-S526 PolarHBondContact O-OG 3.32Å; E523-L552 HydrophobicContact CG-CD1 4.28Å; E523-L552 HydrophobicContact CG-CD2 3.73Å
524	M	89.7	Confident	91.4	Very high	48 Å²	48	44.5 Å²	44.5	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-35.6	-174.2	-171.9	-176.7	-53.8	0	0	112.5	W270 F468 V470 E520 G521	W270-M524 HydrophobicContact CD2-CE 4.11Å; W270-M524 HydrophobicContact CE3-CE 3.64Å; W270-M524 HydrophobicContact CE3-SD 3.9Å; W270-M524 HydrophobicContact CH2-CE 4.11Å; W270-M524 HydrophobicContact CH2-SD 3.61Å; W270-M524 HydrophobicContact CZ3-CE 3.67Å; W270-M524 HydrophobicContact CZ3-SD 3.27Å; W270-M524 WeakPolarHBondContact CZ3-SD 3.29Å; F468-M524 HydrophobicContact CB-SD 4.44Å; V470-M524 HydrophobicContact CG2-CG 3.9Å; V470-M524 HydrophobicContact CG2-SD 4.44Å; E520-M524 VanDerWaalsContact O-CB 3.26Å; E520-M524 WeakPolarHBondContact O-CB 3.24Å; E520-M524 PolarHBondContact O-N 3.3Å; G521-M524 PolarHBondContact O-N 3.06Å
525	Y	92.7	Very high	91.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-99.1	1.5	-179.1	-70.4	-74.8	0	0	0	114	I422 I427 V470 L482 R508 F511 G521 E523 K527 V528	I422-Y525 HydrophobicContact CD1-CD1 3.77Å; I422-Y525 HydrophobicContact CD1-CE1 3.5Å; I422-Y525 VanDerWaalsContact CD1-CE1 3.5Å; I422-Y525 HydrophobicContact CG2-CE1 4.12Å; I427-Y525 WeakPolarHBondContact CD1-OH 3.49Å; I427-Y525 HydrophobicContact CG1-CE1 4.47Å; V470-Y525 HydrophobicContact CB-CD1 4.29Å; V470-Y525 HydrophobicContact CB-CE1 4.34Å; V470-Y525 HydrophobicContact CG1-CD1 3.89Å; V470-Y525 HydrophobicContact CG1-CE1 3.91Å; V470-Y525 HydrophobicContact CG2-CD1 3.71Å; V470-Y525 HydrophobicContact CG2-CE1 3.5Å; V470-Y525 VanDerWaalsContact CG2-CE1 3.5Å; V470-Y525 HydrophobicContact CG2-CG 4.43Å; L482-Y525 HydrophobicContact CD1-CD2 4.13Å; L482-Y525 HydrophobicContact CD1-CG 4.29Å; L482-Y525 HydrophobicContact CD2-CD1 4.23Å; L482-Y525 HydrophobicContact CD2-CD2 3.46Å; L482-Y525 VanDerWaalsContact CD2-CD2 3.46Å; L482-Y525 HydrophobicContact CD2-CE2 3.83Å; L482-Y525 HydrophobicContact CD2-CG 3.68Å; L482-Y525 HydrophobicContact CG-CD2 4.45Å; R508-Y525 WeakPolarHBondContact O-CE2 3.37Å; R508-Y525 PolarHBondContact O-OH 3.36Å; F511-Y525 HydrophobicContact CE2-CD2 4.29Å; F511-Y525 AromaticContact CE2-CE2 3.92Å; F511-Y525 HydrophobicContact CE2-CE2 3.92Å; F511-Y525 HydrophobicContact CZ-CD2 4.32Å; F511-Y525 AromaticContact CZ-CE2 3.88Å; F511-Y525 HydrophobicContact CZ-CE2 3.88Å; G521-Y525 WeakPolarHBondContact O-CD2 3.46Å; G521-Y525 PolarHBondContact O-N 3.08Å; G521-Y525 VanDerWaalsContact O-N 3.11Å; E523-Y525 VanDerWaalsContact C-N 3.31Å; E523-Y525 PolarHBondContact O-N 2.89Å; Y525-K527 PolarHBondContact O-N 2.9Å; Y525-V528 HydrophobicContact CD1-CG2 4.01Å; Y525-V528 VanDerWaalsContact O-CB 3.28Å; Y525-V528 WeakPolarHBondContact O-CB 3.33Å; Y525-V528 WeakPolarHBondContact O-CG2 3.38Å; Y525-V528 PolarHBondContact O-N 2.94Å
526	S	90.8	Very high	92.3	Very high	53 Å²	53	34.9 Å²	34.9	37%	0.371	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-29.8	178.5	58.6	0	0	0	0	116	L522 E523	L522-S526 WeakPolarHBondContact O-CA 3.37Å; L522-S526 WeakPolarHBondContact O-CB 3.45Å; L522-S526 PolarHBondContact O-N 2.91Å; E523-S526 VanDerWaalsContact O-CB 3.31Å; E523-S526 WeakPolarHBondContact O-CB 3.18Å; E523-S526 PolarHBondContact O-N 3.24Å; E523-S526 PolarHBondContact O-OG 3.32Å
527	K	88.6	Confident	93	Very high	110 Å²	110	32.2 Å²	32.2	48%	0.478	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.9	179.3	-65.7	-179.4	177.6	171.4	0	113.6	E459 P472 Y525	E459-K527 IonicContact OE2-NZ 2.81Å; E459-K527 PolarHBondContact OE2-NZ 2.87Å; P472-K527 WeakPolarHBondContact CG-O 3.2Å; Y525-K527 PolarHBondContact O-N 2.9Å
528	V	90.2	Very high	93	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.079	16%	0.162	C	C	.	.			trans	-91.4	125.5	-179.6	176.7	0	0	0	0	112	W426 V470 P472 P480 Y525 L531	W426-V528 HydrophobicContact CZ3-CG1 4.01Å; V470-V528 HydrophobicContact CG1-CG2 3.82Å; P472-V528 HydrophobicContact CB-CG2 4.32Å; P472-V528 HydrophobicContact CG-CG2 4.36Å; P480-V528 HydrophobicContact CB-CG1 3.99Å; P480-V528 HydrophobicContact CG-CG1 3.8Å; Y525-V528 HydrophobicContact CD1-CG2 4.01Å; Y525-V528 VanDerWaalsContact O-CB 3.28Å; Y525-V528 WeakPolarHBondContact O-CB 3.33Å; Y525-V528 WeakPolarHBondContact O-CG2 3.38Å; Y525-V528 PolarHBondContact O-N 2.94Å; V528-L531 HydrophobicContact CB-CD1 4.15Å; V528-L531 HydrophobicContact CG1-CB 4.45Å; V528-L531 HydrophobicContact CG1-CD1 3.99Å
529	P	89.5	Confident	92.7	Very high	49 Å²	49	33.3 Å²	33.3	32%	0.318	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	152.4	176.1	31.9	-35.8	0	0	0	111.7	P480 L531	P480-P529 WeakPolarHBondContact CD-O 3.44Å; P529-L531 PolarHBondContact O-N 2.8Å; P529-L531 VanDerWaalsContact O-N 3.08Å
530	N	90.9	Very high	92.6	Very high	81 Å²	81	30.6 Å²	30.6	43%	0.433	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	24.1	176.9	-59.9	-2.9	0	0	0	114.7	Q476 M478 K479 P480 R532	Q476-N530 PolarHBondContact O-ND2 3Å; M478-N530 WeakPolarHBondContact O-CB 3.49Å; M478-N530 PolarHBondContact O-ND2 2.89Å; M478-N530 VanDerWaalsContact O-ND2 3.12Å; K479-N530 CarbonylContact C-O 3.57Å; K479-N530 WeakPolarHBondContact CA-O 3.49Å; P480-N530 WeakPolarHBondContact CD-O 3.16Å; N530-R532 PolarHBondContact O-N 3.04Å
531	L	94	Very high	92.8	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.058	15%	0.148	C	C	.	.			trans	-60.1	125.5	-179.1	-170.5	70.9	0	0	0	110.5	P480 L482 V528 P529 P558 P559	P480-L531 CarbonylContact O-C 3.51Å; P480-L531 WeakPolarHBondContact O-CA 3.4Å; L482-L531 HydrophobicContact CD1-CD1 4.27Å; L482-L531 HydrophobicContact CD1-CD2 4.1Å; L482-L531 HydrophobicContact CD1-CG 4.5Å; L482-L531 HydrophobicContact CD2-CD1 4.24Å; L482-L531 HydrophobicContact CG-CD1 3.87Å; L482-L531 HydrophobicContact CG-CG 4.43Å; V528-L531 HydrophobicContact CB-CD1 4.15Å; V528-L531 HydrophobicContact CG1-CB 4.45Å; V528-L531 HydrophobicContact CG1-CD1 3.99Å; P529-L531 PolarHBondContact O-N 2.8Å; P529-L531 VanDerWaalsContact O-N 3.08Å; L531-P558 HydrophobicContact CB-CB 4.24Å; L531-P558 HydrophobicContact CD2-CB 4.38Å; L531-P558 HydrophobicContact CG-CB 4.39Å; L531-P558 WeakPolarHBondContact O-CA 3.17Å; L531-P558 WeakPolarHBondContact O-CB 3.28Å; L531-P559 WeakPolarHBondContact O-CD 3.16Å
532	R	96.4	Very high	93	Very high	25 Å²	25	25.9 Å²	25.9	9%	0.094	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	154.2	168.7	-64.3	-164.3	163.5	-157.7	-10.6	109.8	P480 L481 L482 N530 P559 V593 E594 G596	P480-R532 PolarHBondContact O-N 2.84Å; L481-R532 WeakPolarHBondContact CA-O 3.37Å; L481-R532 HydrophobicContact CD1-CB 4.16Å; L482-R532 PolarHBondContact N-O 3.35Å; N530-R532 PolarHBondContact O-N 3.04Å; R532-P559 HydrophobicContact CG-CG 4.05Å; R532-V593 VanDerWaalsContact CD-O 3.27Å; R532-V593 WeakPolarHBondContact CD-O 3.06Å; R532-V593 PolarHBondContact NH1-O 2.87Å; R532-E594 PolarHBondContact NH1-O 3.1Å; R532-G596 VanDerWaalsContact CZ-O 3.3Å; R532-G596 PolarHBondContact NH1-O 3.18Å; R532-G596 PolarHBondContact NH2-O 2.81Å
533	I	98.2	Very high	93	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.2	176.7	-65.5	164.5	0	0	0	108.9	L482 F484 L522 I545 L549 P558 P559 V560 A561	L482-I533 CarbonylContact O-C 3.55Å; L482-I533 WeakPolarHBondContact O-CA 3.38Å; F484-I533 HydrophobicContact CD2-CG2 3.81Å; F484-I533 HydrophobicContact CE2-CG2 4.05Å; L522-I533 HydrophobicContact CD2-CD1 3.56Å; L522-I533 HydrophobicContact CD2-CG1 4.3Å; I533-I545 HydrophobicContact CG2-CG2 4.31Å; I533-L549 HydrophobicContact CD1-CD1 3.94Å; I533-L549 HydrophobicContact CD1-CD2 4.04Å; I533-L549 HydrophobicContact CD1-CG 4.5Å; I533-P558 HydrophobicContact CD1-CB 3.9Å; I533-P558 HydrophobicContact CD1-CG 3.53Å; I533-P558 HydrophobicContact CG1-CB 4.25Å; I533-P558 HydrophobicContact CG1-CG 4.37Å; I533-P559 PolarHBondContact N-O 3.14Å; I533-V560 HydrophobicContact CB-CG2 4.22Å; I533-V560 HydrophobicContact CD1-CG2 4.28Å; I533-V560 HydrophobicContact CG2-CG1 4.27Å; I533-V560 HydrophobicContact CG2-CG2 4.37Å; I533-A561 WeakPolarHBondContact O-CB 3.41Å; I533-A561 PolarHBondContact O-N 3.14Å
534	L	98.2	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.8	166.1	177.8	64.7	0	0	0	109.4	L481 L482 V483 F484 F501 A561 L563 I589 V593	L481-L534 HydrophobicContact CD1-CB 3.98Å; L482-L534 PolarHBondContact O-N 3.41Å; V483-L534 WeakPolarHBondContact CA-O 3.5Å; V483-L534 HydrophobicContact CG1-CB 4.46Å; V483-L534 HydrophobicContact CG1-CD2 4.16Å; V483-L534 HydrophobicContact CG1-CG 4.43Å; V483-L534 HydrophobicContact CG2-CB 4.33Å; V483-L534 HydrophobicContact CG2-CD2 4.34Å; F484-L534 PolarHBondContact N-O 2.96Å; F501-L534 HydrophobicContact CE1-CD2 3.91Å; F501-L534 HydrophobicContact CE2-CD2 4.26Å; F501-L534 HydrophobicContact CZ-CD2 3.47Å; F501-L534 VanDerWaalsContact CZ-CD2 3.47Å; L534-A561 WeakPolarHBondContact CA-O 3.36Å; L534-A561 HydrophobicContact CD1-CB 3.74Å; L534-L563 HydrophobicContact CD1-CB 4.15Å; L534-I589 HydrophobicContact CD2-CG2 4.18Å; L534-V593 HydrophobicContact CD1-CG2 3.97Å; L534-V593 HydrophobicContact CD2-CG2 4.29Å
535	A	97.8	Very high	93.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.5	175.4	0	0	0	0	0	110.1	V542 I545 V560 A561 L563	A535-V542 HydrophobicContact CB-CG2 4.12Å; A535-I545 HydrophobicContact CB-CD1 3.6Å; A535-V560 HydrophobicContact CB-CG1 4.1Å; A535-A561 PolarHBondContact N-O 3.13Å; A535-L563 PolarHBondContact O-N 2.86Å
536	C	96.5	Very high	93.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	99.9	178.3	-53.2	0	0	0	0	109.9	F484 V485 N486 L563 L565	F484-C536 PolarHBondContact O-N 3.06Å; V485-C536 HydrophobicContact CB-CB 4.3Å; V485-C536 HydrophobicContact CG1-CB 4.1Å; V485-C536 HydrophobicContact CG2-CB 4.09Å; N486-C536 PolarHBondContact N-O 3.46Å; C536-L563 HydrophobicContact CB-CB 4.12Å; C536-L563 HydrophobicContact CB-CD2 4.16Å; C536-L565 HydrophobicContact CB-CD1 3.94Å
537	G	93.3	Very high	93.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-161.5	-171.7	0	0	0	0	0	112.3	L563 L565 G566	G537-L563 PolarHBondContact N-O 2.82Å; G537-L565 PolarHBondContact O-N 3.33Å; G537-G566 PolarHBondContact O-N 3.1Å
538	G	90.7	Very high	94	Very high	11 Å²	11	20.6 Å²	20.6	11%	0.113	12%	0.119	C	C	.	.			trans	-96	-176.9	164.9	0	0	0	0	0	111.8	G540 T541 V542	G538-G540 PolarHBondContact O-N 3.11Å; G538-T541 WeakPolarHBondContact O-CA 3.44Å; G538-T541 WeakPolarHBondContact O-CB 3.39Å; G538-T541 PolarHBondContact O-N 2.88Å; G538-V542 PolarHBondContact O-N 2.76Å
539	D	90	Very high	94.2	Very high	24 Å²	24	20 Å²	20	13%	0.128	12%	0.116	C	C	.	.	H	α-helix	trans	-54.8	-48.5	-173.1	-51.6	-98.3	0	0	0	113	T541 V542 G543 N569 D570 L571 N634	D539-T541 PolarHBondContact O-N 3Å; D539-T541 VanDerWaalsContact O-N 3.12Å; D539-V542 WeakPolarHBondContact O-CA 3.48Å; D539-V542 VanDerWaalsContact O-CB 3.28Å; D539-V542 WeakPolarHBondContact O-CB 3.42Å; D539-V542 PolarHBondContact O-N 2.89Å; D539-G543 PolarHBondContact O-N 3.45Å; D539-N569 WeakPolarHBondContact OD2-CA 3.35Å; D539-N569 PolarHBondContact OD2-N 2.91Å; D539-D570 PolarHBondContact OD1-N 3.12Å; D539-L571 WeakPolarHBondContact OD1-CB 3.44Å; D539-L571 PolarHBondContact OD1-N 2.96Å; D539-N634 PolarHBondContact OD1-ND2 3.21Å; D539-N634 VanDerWaalsContact OD1-ND2 3.11Å
540	G	90.5	Very high	94.3	Very high	40 Å²	40	18.6 Å²	18.6	41%	0.412	11%	0.106	S	C	.	.	H	α-helix	trans	-60.4	-22.2	173.9	0	0	0	0	0	115	G538 W544	G538-G540 PolarHBondContact O-N 3.11Å; G540-W544 WeakPolarHBondContact O-CB 3.18Å; G540-W544 PolarHBondContact O-N 3.24Å
541	T	93.4	Very high	94.4	Very high	14 Å²	14	20.1 Å²	20.1	9%	0.086	11%	0.11	C	C	.	.	H	α-helix	trans	-72.6	-32.5	170.8	-52.9	0	0	0	0	111.7	N486 L513 G538 D539 I545	N486-T541 HydrophobicContact CB-CG2 4.15Å; L513-T541 HydrophobicContact CD1-CG2 3.41Å; L513-T541 VanDerWaalsContact CD1-CG2 3.41Å; G538-T541 WeakPolarHBondContact O-CA 3.44Å; G538-T541 WeakPolarHBondContact O-CB 3.39Å; G538-T541 PolarHBondContact O-N 2.88Å; D539-T541 PolarHBondContact O-N 3Å; D539-T541 VanDerWaalsContact O-N 3.12Å; T541-I545 WeakPolarHBondContact O-CD1 3.37Å; T541-I545 WeakPolarHBondContact O-CG1 3.22Å; T541-I545 PolarHBondContact O-N 3.48Å
542	V	95.3	Very high	94.3	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-71.8	-47.6	172.5	-170.8	0	0	0	0	109.6	A535 G538 D539 W544 I545 L546 V560 I562 L571 M806	A535-V542 HydrophobicContact CB-CG2 4.12Å; G538-V542 PolarHBondContact O-N 2.76Å; D539-V542 WeakPolarHBondContact O-CA 3.48Å; D539-V542 VanDerWaalsContact O-CB 3.28Å; D539-V542 WeakPolarHBondContact O-CB 3.42Å; D539-V542 PolarHBondContact O-N 2.89Å; V542-W544 VanDerWaalsContact C-N 3.34Å; V542-W544 PolarHBondContact O-N 3.46Å; V542-I545 PolarHBondContact O-N 3.02Å; V542-L546 HydrophobicContact CG1-CD1 4.19Å; V542-L546 HydrophobicContact CG1-CG 4.44Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 2.76Å; V542-V560 HydrophobicContact CG1-CG1 4.2Å; V542-I562 HydrophobicContact CG1-CD1 4.25Å; V542-I562 HydrophobicContact CG1-CG1 4.29Å; V542-I562 HydrophobicContact CG2-CD1 4.01Å; V542-I562 HydrophobicContact CG2-CG1 3.92Å; V542-I562 HydrophobicContact CG2-CG2 4.04Å; V542-L571 HydrophobicContact CB-CD2 4.45Å; V542-L571 HydrophobicContact CG1-CD2 4.08Å; V542-M806 HydrophobicContact CG1-CE 3.92Å
543	G	94.1	Very high	94	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	15%	0.147	C	C	.	.	H	α-helix	trans	-54.2	-44.9	175.8	0	0	0	0	0	113.1	D539 I545 L546 S547	D539-G543 PolarHBondContact O-N 3.45Å; G543-I545 VanDerWaalsContact C-N 3.33Å; G543-I545 PolarHBondContact O-N 3.01Å; G543-L546 PolarHBondContact O-N 2.78Å; G543-S547 PolarHBondContact O-N 3.18Å; G543-S547 PolarHBondContact O-OG 3.03Å
544	W	94	Very high	93.5	Very high	120 Å²	120	29.4 Å²	29.4	46%	0.455	15%	0.154	S	C	.	.	H	α-helix	trans	-59.3	-40.8	175.5	-177.3	25.7	0	0	0	113	L513 P518 G540 V542 V548	L513-W544 HydrophobicContact CB-CZ3 3.94Å; L513-W544 HydrophobicContact CD2-CE3 4.48Å; L513-W544 HydrophobicContact CD2-CZ3 4.21Å; L513-W544 HydrophobicContact CG-CZ3 4.48Å; P518-W544 HydrophobicContact CG-CD2 4.49Å; G540-W544 WeakPolarHBondContact O-CB 3.18Å; G540-W544 PolarHBondContact O-N 3.24Å; V542-W544 VanDerWaalsContact C-N 3.34Å; V542-W544 PolarHBondContact O-N 3.46Å; W544-V548 WeakPolarHBondContact O-CG2 3.37Å; W544-V548 PolarHBondContact O-N 2.91Å
545	I	96.3	Very high	92.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-42.8	177.6	-69.6	166.4	0	0	0	110.7	F484 L513 P518 I533 A535 T541 V542 G543 V548 L549 V560	F484-I545 HydrophobicContact CB-CD1 3.82Å; F484-I545 HydrophobicContact CD2-CD1 4.34Å; F484-I545 HydrophobicContact CG-CD1 4.25Å; L513-I545 HydrophobicContact CD1-CD1 4.42Å; P518-I545 HydrophobicContact CB-CG1 4.05Å; P518-I545 HydrophobicContact CG-CG1 4.21Å; I533-I545 HydrophobicContact CG2-CG2 4.31Å; A535-I545 HydrophobicContact CB-CD1 3.6Å; T541-I545 WeakPolarHBondContact O-CD1 3.37Å; T541-I545 WeakPolarHBondContact O-CG1 3.22Å; T541-I545 PolarHBondContact O-N 3.48Å; V542-I545 PolarHBondContact O-N 3.02Å; G543-I545 VanDerWaalsContact C-N 3.33Å; G543-I545 PolarHBondContact O-N 3.01Å; I545-V548 PolarHBondContact O-N 3.38Å; I545-L549 HydrophobicContact CG2-CD1 4.22Å; I545-L549 WeakPolarHBondContact O-CG 3.42Å; I545-L549 PolarHBondContact O-N 2.6Å; I545-V560 HydrophobicContact CG2-CG2 4.48Å
546	L	95.9	Very high	92.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-45.3	176.3	-67.9	175.1	0	0	0	111.9	V542 G543 V548 L549 D550 V560 A804 M806	V542-L546 HydrophobicContact CG1-CD1 4.19Å; V542-L546 HydrophobicContact CG1-CG 4.44Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 2.76Å; G543-L546 PolarHBondContact O-N 2.78Å; L546-V548 VanDerWaalsContact C-N 3.28Å; L546-V548 PolarHBondContact O-N 2.95Å; L546-L549 HydrophobicContact CD2-CD1 4.41Å; L546-L549 WeakPolarHBondContact O-CB 3.18Å; L546-L549 PolarHBondContact O-N 3.24Å; L546-L549 VanDerWaalsContact O-N 3.1Å; L546-D550 PolarHBondContact O-N 3.38Å; L546-V560 HydrophobicContact CD2-CG2 4.01Å; L546-A804 HydrophobicContact CD2-CB 3.85Å; L546-M806 HydrophobicContact CD1-SD 4.35Å; L546-M806 HydrophobicContact CD2-SD 4.1Å
547	S	93.6	Very high	91.9	Very high	24 Å²	24	48.3 Å²	48.3	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-25.8	177.6	-66.3	0	0	0	0	113.6	G543 Q551	G543-S547 PolarHBondContact O-N 3.18Å; G543-S547 PolarHBondContact O-OG 3.03Å; S547-Q551 VanDerWaalsContact O-CG 3.26Å; S547-Q551 WeakPolarHBondContact O-CG 3.49Å; S547-Q551 PolarHBondContact O-N 3.49Å; S547-Q551 PolarHBondContact O-NE2 3.44Å
548	V	95.2	Very high	92	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-80.8	-31.2	171	175.9	0	0	0	0	112	P518 R519 L522 W544 I545 L546 Q551 L552	P518-V548 HydrophobicContact CG-CB 4.12Å; P518-V548 HydrophobicContact CG-CG1 4.32Å; P518-V548 HydrophobicContact CG-CG2 3.96Å; R519-V548 HydrophobicContact CB-CG1 4.02Å; R519-V548 HydrophobicContact CG-CG1 4.47Å; L522-V548 HydrophobicContact CD1-CB 4.42Å; L522-V548 HydrophobicContact CD1-CG1 3.92Å; W544-V548 WeakPolarHBondContact O-CG2 3.37Å; W544-V548 PolarHBondContact O-N 2.91Å; I545-V548 PolarHBondContact O-N 3.38Å; L546-V548 VanDerWaalsContact C-N 3.28Å; L546-V548 PolarHBondContact O-N 2.95Å; V548-Q551 PolarHBondContact O-N 2.94Å; V548-L552 HydrophobicContact CG1-CD1 4.03Å; V548-L552 HydrophobicContact CG1-CG 4.41Å; V548-L552 WeakPolarHBondContact O-CG 3.43Å; V548-L552 PolarHBondContact O-N 3.02Å
549	L	94.7	Very high	92.3	Very high	2 Å²	2	49 Å²	49	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-43.1	170.6	-72.6	168.6	0	0	0	111.8	L522 I533 I545 L546 Q551 L552 K553 L554 P558 V560	L522-L549 HydrophobicContact CD1-CD2 3.94Å; L522-L549 HydrophobicContact CD1-CG 4.12Å; L522-L549 HydrophobicContact CD2-CD2 3.97Å; I533-L549 HydrophobicContact CD1-CD1 3.94Å; I533-L549 HydrophobicContact CD1-CD2 4.04Å; I533-L549 HydrophobicContact CD1-CG 4.5Å; I545-L549 HydrophobicContact CG2-CD1 4.22Å; I545-L549 WeakPolarHBondContact O-CG 3.42Å; I545-L549 PolarHBondContact O-N 2.6Å; L546-L549 HydrophobicContact CD2-CD1 4.41Å; L546-L549 WeakPolarHBondContact O-CB 3.18Å; L546-L549 PolarHBondContact O-N 3.24Å; L546-L549 VanDerWaalsContact O-N 3.1Å; L549-Q551 VanDerWaalsContact C-N 3.26Å; L549-Q551 PolarHBondContact O-N 3.31Å; L549-L552 PolarHBondContact O-N 3.44Å; L549-K553 PolarHBondContact O-N 3.19Å; L549-L554 HydrophobicContact CD2-CD1 3.86Å; L549-P558 HydrophobicContact CD2-CG 3.74Å; L549-V560 HydrophobicContact CD1-CG2 3.78Å
550	D	91.9	Very high	92.7	Very high	18 Å²	18	47.9 Å²	47.9	10%	0.096	24%	0.238	C	C	.	.	H	α-helix	trans	-53.2	-42.2	172.6	-84.7	-4.6	0	0	0	112.2	L546 K553 R603 R801 N802	L546-D550 PolarHBondContact O-N 3.38Å; D550-K553 WeakPolarHBondContact O-CE 3.35Å; D550-K553 WeakPolarHBondContact O-CG 3.48Å; D550-R603 IonicContact OD1-NH1 3.43Å; D550-R603 PolarHBondContact OD1-NH1 3.11Å; D550-R603 IonicContact OD2-CZ 2.73Å; D550-R603 IonicContact OD2-NH1 3.66Å; D550-R603 PolarHBondContact OD2-NH1 3.05Å; D550-R603 IonicContact OD2-NH2 2.84Å; D550-R603 PolarHBondContact OD2-NH2 3.23Å; D550-R801 IonicContact OD2-CZ 3.69Å; D550-R801 IonicContact OD2-NE 2.74Å; D550-R801 PolarHBondContact OD2-NE 2.93Å; D550-R801 IonicContact OD2-NH2 2.86Å; D550-R801 PolarHBondContact OD2-NH2 2.96Å; D550-N802 PolarHBondContact OD1-ND2 3.29Å
551	Q	92.8	Very high	93	Very high	113 Å²	113	46 Å²	46	53%	0.528	22%	0.218	S	C	.	.	H	α-helix	trans	-74.5	-34.4	-178.2	-69.2	169.7	21	0	0	112.3	S547 V548 L549	S547-Q551 VanDerWaalsContact O-CG 3.26Å; S547-Q551 WeakPolarHBondContact O-CG 3.49Å; S547-Q551 PolarHBondContact O-N 3.49Å; S547-Q551 PolarHBondContact O-NE2 3.44Å; V548-Q551 PolarHBondContact O-N 2.94Å; L549-Q551 VanDerWaalsContact C-N 3.26Å; L549-Q551 PolarHBondContact O-N 3.31Å
552	L	92.3	Very high	93.2	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-83.1	-17.5	179.5	-68.1	176.2	0	0	0	113.6	L522 E523 V548 L549 L554	L522-L552 HydrophobicContact CB-CD1 3.48Å; L522-L552 VanDerWaalsContact CB-CD1 3.48Å; L522-L552 HydrophobicContact CD1-CD1 4.26Å; E523-L552 HydrophobicContact CG-CD1 4.28Å; E523-L552 HydrophobicContact CG-CD2 3.73Å; V548-L552 HydrophobicContact CG1-CD1 4.03Å; V548-L552 HydrophobicContact CG1-CG 4.41Å; V548-L552 WeakPolarHBondContact O-CG 3.43Å; V548-L552 PolarHBondContact O-N 3.02Å; L549-L552 PolarHBondContact O-N 3.44Å; L552-L554 HydrophobicContact CB-CD2 4.13Å; L552-L554 HydrophobicContact CB-CG 4.1Å; L552-L554 PolarHBondContact O-N 2.93Å; L552-L554 VanDerWaalsContact O-N 3.16Å
553	K	89.8	Confident	93.2	Very high	165 Å²	165	45.7 Å²	45.7	72%	0.717	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	42.2	174.1	-58.9	-172.1	179.4	-176.5	0	113.6	L549 D550	L549-K553 PolarHBondContact O-N 3.19Å; D550-K553 WeakPolarHBondContact O-CE 3.35Å; D550-K553 WeakPolarHBondContact O-CG 3.48Å
554	L	87	Confident	93.3	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.136	21%	0.212	C	C	.	.			trans	-60.5	141.6	-178.5	-59.1	-176	0	0	0	111.5	L549 L552 P556 Q557 P558	L549-L554 HydrophobicContact CD2-CD1 3.86Å; L552-L554 HydrophobicContact CB-CD2 4.13Å; L552-L554 HydrophobicContact CB-CG 4.1Å; L552-L554 PolarHBondContact O-N 2.93Å; L552-L554 VanDerWaalsContact O-N 3.16Å; L554-P556 CarbonylContact C-O 3.6Å; L554-P556 CarbonylContact O-C 3.5Å; L554-Q557 PolarHBondContact O-N 3.07Å; L554-P558 HydrophobicContact CD1-CG 4.16Å
555	R	83	Confident	93.1	Very high	239 Å²	239	39.7 Å²	39.7	90%	0.902	19%	0.191	S	C	*	.	S	Bend	trans	-133.7	116.6	-178.1	-69.8	-175.8	177.6	-170.5	-3.1	111.1
556	P	86.1	Confident	92.5	Very high	113 Å²	113	40.3 Å²	40.3	73%	0.734	20%	0.197	S	C	*	.	S	Bend	cis	-62.9	156.7	-10.3	30	-36.1	0	0	0	111.9	L554	L554-P556 CarbonylContact C-O 3.6Å; L554-P556 CarbonylContact O-C 3.5Å
557	Q	90.8	Very high	91.8	Very high	46 Å²	46	42.4 Å²	42.4	22%	0.215	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-75.2	123	175.1	-178.8	167.6	-13.7	0	0	109.6	L554 N805	L554-Q557 PolarHBondContact O-N 3.07Å; Q557-N805 PolarHBondContact O-ND2 2.85Å
558	P	95.1	Very high	91.1	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.058	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-67.5	135.7	-177.8	27.5	-35.6	0	0	0	111.6	L531 I533 L549 L554	L531-P558 HydrophobicContact CB-CB 4.24Å; L531-P558 HydrophobicContact CD2-CB 4.38Å; L531-P558 HydrophobicContact CG-CB 4.39Å; L531-P558 WeakPolarHBondContact O-CA 3.17Å; L531-P558 WeakPolarHBondContact O-CB 3.28Å; I533-P558 HydrophobicContact CD1-CB 3.9Å; I533-P558 HydrophobicContact CD1-CG 3.53Å; I533-P558 HydrophobicContact CG1-CB 4.25Å; I533-P558 HydrophobicContact CG1-CG 4.37Å; L549-P558 HydrophobicContact CD2-CG 3.74Å; L554-P558 HydrophobicContact CD1-CG 4.16Å
559	P	97.1	Very high	90.8	Very high	16 Å²	16	42 Å²	42	10%	0.104	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-73	144.1	178.2	31.3	-37.7	0	0	0	112.4	L531 R532 I533 V598 N805 V807	L531-P559 WeakPolarHBondContact O-CD 3.16Å; R532-P559 HydrophobicContact CG-CG 4.05Å; I533-P559 PolarHBondContact N-O 3.14Å; P559-V598 HydrophobicContact CB-CG1 4.05Å; P559-V598 HydrophobicContact CB-CG2 4Å; P559-V598 HydrophobicContact CG-CG2 3.98Å; P559-N805 VanDerWaalsContact CA-O 3.25Å; P559-N805 WeakPolarHBondContact CA-O 3.36Å; P559-N805 HydrophobicContact CB-CB 3.91Å; P559-V807 HydrophobicContact CB-CG2 3.74Å; P559-V807 HydrophobicContact CG-CG2 4.11Å
560	V	98.1	Very high	90.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.3	-177.4	-175.9	0	0	0	0	111.8	I533 A535 V542 I545 L546 L549 N805 M806 V807	I533-V560 HydrophobicContact CB-CG2 4.22Å; I533-V560 HydrophobicContact CD1-CG2 4.28Å; I533-V560 HydrophobicContact CG2-CG1 4.27Å; I533-V560 HydrophobicContact CG2-CG2 4.37Å; A535-V560 HydrophobicContact CB-CG1 4.1Å; V542-V560 HydrophobicContact CG1-CG1 4.2Å; I545-V560 HydrophobicContact CG2-CG2 4.48Å; L546-V560 HydrophobicContact CD2-CG2 4.01Å; L549-V560 HydrophobicContact CD1-CG2 3.78Å; V560-N805 PolarHBondContact N-O 3.33Å; V560-M806 HydrophobicContact CB-CE 4.18Å; V560-M806 HydrophobicContact CB-SD 3.96Å; V560-M806 HydrophobicContact CG1-CE 4.39Å; V560-M806 CarbonylContact O-C 3.6Å; V560-M806 WeakPolarHBondContact O-CA 3.32Å; V560-M806 WeakPolarHBondContact O-CE 3.49Å; V560-V807 PolarHBondContact O-N 2.85Å
561	A	97.6	Very high	90.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	158.1	166.6	0	0	0	0	0	111	I533 L534 A535 W577 V593 V807	I533-A561 WeakPolarHBondContact O-CB 3.41Å; I533-A561 PolarHBondContact O-N 3.14Å; L534-A561 WeakPolarHBondContact CA-O 3.36Å; L534-A561 HydrophobicContact CD1-CB 3.74Å; A535-A561 PolarHBondContact N-O 3.13Å; A561-W577 HydrophobicContact CB-CH2 4.22Å; A561-W577 HydrophobicContact CB-CZ2 3.73Å; A561-V593 HydrophobicContact CB-CG1 4.29Å; A561-V593 HydrophobicContact CB-CG2 3.97Å; A561-V807 HydrophobicContact CB-CB 3.79Å; A561-V807 HydrophobicContact CB-CG1 4.36Å; A561-V807 HydrophobicContact CB-CG2 4.05Å
562	I	96.7	Very high	90.9	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.7	-177.6	-52.7	174.7	0	0	0	110.2	V542 L571 A572 L575 W577 M806	V542-I562 HydrophobicContact CG1-CD1 4.25Å; V542-I562 HydrophobicContact CG1-CG1 4.29Å; V542-I562 HydrophobicContact CG2-CD1 4.01Å; V542-I562 HydrophobicContact CG2-CG1 3.92Å; V542-I562 HydrophobicContact CG2-CG2 4.04Å; I562-L571 HydrophobicContact CD1-CB 4.21Å; I562-L571 HydrophobicContact CD1-CD2 3.78Å; I562-L571 HydrophobicContact CD1-CG 3.69Å; I562-A572 HydrophobicContact CG2-CB 3.96Å; I562-L575 HydrophobicContact CD1-CD1 3.88Å; I562-W577 HydrophobicContact CB-CG 4.45Å; I562-W577 VanDerWaalsContact O-CE3 3.28Å; I562-W577 VanDerWaalsContact O-CG 3.3Å; I562-M806 HydrophobicContact CD1-CE 3.98Å; I562-M806 HydrophobicContact CG1-CE 4.21Å
563	L	96.3	Very high	90.8	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.5	162.6	-174.6	68.9	0	0	0	108.3	I497 F501 L534 A535 C536 G537 L565 Y581 I589	I497-L563 HydrophobicContact CD1-CD2 4.28Å; I497-L563 HydrophobicContact CG2-CD2 4.04Å; F501-L563 HydrophobicContact CE2-CD2 4.14Å; F501-L563 HydrophobicContact CZ-CD2 4.4Å; L534-L563 HydrophobicContact CD1-CB 4.15Å; A535-L563 PolarHBondContact O-N 2.86Å; C536-L563 HydrophobicContact CB-CB 4.12Å; C536-L563 HydrophobicContact CB-CD2 4.16Å; G537-L563 PolarHBondContact N-O 2.82Å; L563-L565 HydrophobicContact CD2-CD2 4.47Å; L563-L565 HydrophobicContact CG-CD2 4.37Å; L563-L565 PolarHBondContact O-N 3.39Å; L563-Y581 HydrophobicContact CD1-CD2 3.81Å; L563-Y581 HydrophobicContact CD1-CE2 4.45Å; L563-Y581 HydrophobicContact CD2-CD2 4.48Å; L563-Y581 HydrophobicContact CG-CD2 4.39Å; L563-I589 HydrophobicContact CD1-CD1 3.62Å; L563-I589 HydrophobicContact CD1-CG1 4.2Å; L563-I589 HydrophobicContact CD1-CG2 4.36Å
564	P	94.3	Very high	91	Very high	3 Å²	3	29 Å²	29	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	99.5	-168.7	26.4	-34.1	0	0	0	112.8	N569 A572 G578 G580 Y581	P564-N569 HydrophobicContact CB-CB 3.8Å; P564-A572 HydrophobicContact CB-CB 3.75Å; P564-A572 HydrophobicContact CG-CB 4.23Å; P564-G578 WeakPolarHBondContact CG-O 3.42Å; P564-G580 CarbonylContact O-C 3.5Å; P564-G580 WeakPolarHBondContact O-CA 3.23Å; P564-Y581 PolarHBondContact O-N 3.14Å
565	L	91.1	Very high	91.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.144	C	C	.	.			trans	-110.6	-0.5	175.6	-53.8	-175	0	0	0	112.8	G490 I497 C536 G537 L563 Y581	G490-L565 WeakPolarHBondContact CA-O 3.45Å; G490-L565 PolarHBondContact N-O 2.94Å; I497-L565 HydrophobicContact CD1-CD1 3.84Å; I497-L565 HydrophobicContact CD1-CD2 3.52Å; I497-L565 HydrophobicContact CD1-CG 4.34Å; C536-L565 HydrophobicContact CB-CD1 3.94Å; G537-L565 PolarHBondContact O-N 3.33Å; L563-L565 HydrophobicContact CD2-CD2 4.47Å; L563-L565 HydrophobicContact CG-CD2 4.37Å; L563-L565 PolarHBondContact O-N 3.39Å; L565-Y581 HydrophobicContact CD2-CD1 4.07Å; L565-Y581 HydrophobicContact CD2-CG 4.03Å
566	G	84.1	Confident	91.8	Very high	13 Å²	13	19.3 Å²	19.3	13%	0.134	12%	0.117	C	C	.	.	S	Bend	trans	-77.5	-170.8	174.6	0	0	0	0	0	113.7	G537 N569 R662	G537-G566 PolarHBondContact O-N 3.1Å; G566-N569 VanDerWaalsContact C-ND2 3.32Å; G566-N569 WeakPolarHBondContact CA-OD1 3.37Å; G566-N569 PolarHBondContact N-OD1 2.91Å; G566-N569 PolarHBondContact O-ND2 3.26Å; G566-R662 VanDerWaalsContact O-CD 3.24Å; G566-R662 WeakPolarHBondContact O-CD 3.35Å
567	T	81	Confident	92	Very high	44 Å²	44	14.7 Å²	14.7	27%	0.27	9%	0.085	S	C	.	.	S	Bend	trans	-95.8	-42.8	171.1	-46.2	0	0	0	0	111.9	N665 K666	T567-N665 HydrophobicContact CG2-CB 3.9Å; T567-K666 HydrophobicContact CG2-CG 3.77Å
568	G	78.3	Confident	91.9	Very high	24 Å²	24	13.9 Å²	13.9	25%	0.247	9%	0.089	C	C	.	.			trans	-68.7	-80.9	174.5	0	0	0	0	0	110.6	R573	G568-R573 PolarHBondContact O-NH1 3.26Å; G568-R573 PolarHBondContact O-NH2 2.67Å
569	N	89.3	Confident	91.4	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.011	10%	0.103	C	C	.	.			trans	65.8	32.6	-179.8	-50.4	-47.4	0	0	0	113.8	D539 P564 G566 A572 R573 G579	D539-N569 WeakPolarHBondContact OD2-CA 3.35Å; D539-N569 PolarHBondContact OD2-N 2.91Å; P564-N569 HydrophobicContact CB-CB 3.8Å; G566-N569 VanDerWaalsContact C-ND2 3.32Å; G566-N569 WeakPolarHBondContact CA-OD1 3.37Å; G566-N569 PolarHBondContact N-OD1 2.91Å; G566-N569 PolarHBondContact O-ND2 3.26Å; N569-A572 HydrophobicContact CB-CB 4.06Å; N569-A572 WeakPolarHBondContact O-CB 3.29Å; N569-A572 PolarHBondContact O-N 3.31Å; N569-R573 PolarHBondContact O-N 3.11Å; N569-R573 VanDerWaalsContact O-N 3.1Å; N569-R573 PolarHBondContact O-NH1 2.99Å; N569-G579 PolarHBondContact ND2-O 2.89Å
570	D	92.2	Very high	90.9	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-68.6	-37.5	-175.8	-68.7	-73.8	0	0	0	112	D539 A572 R573 T574 I715 R717 A720 G721	D539-D570 PolarHBondContact OD1-N 3.12Å; D570-A572 VanDerWaalsContact C-N 3.26Å; D570-A572 PolarHBondContact O-N 3.37Å; D570-R573 PolarHBondContact O-N 3Å; D570-T574 PolarHBondContact O-N 3.47Å; D570-T574 PolarHBondContact O-OG1 3.02Å; D570-I715 HydrophobicContact CB-CD1 4.1Å; D570-R717 HydrophobicContact CB-CB 4.24Å; D570-A720 VanDerWaalsContact OD1-CA 3.27Å; D570-A720 WeakPolarHBondContact OD1-CA 3.48Å; D570-A720 PolarHBondContact OD1-N 3.36Å; D570-A720 VanDerWaalsContact OD1-N 3.1Å; D570-A720 PolarHBondContact OD2-N 3.44Å; D570-G721 PolarHBondContact OD1-N 3.09Å
571	L	94.1	Very high	90.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-34	172.1	-171.6	60.1	0	0	0	112.1	D539 V542 I562 T574 L575 L601 N634 I715 M806	D539-L571 WeakPolarHBondContact OD1-CB 3.44Å; D539-L571 PolarHBondContact OD1-N 2.96Å; V542-L571 HydrophobicContact CB-CD2 4.45Å; V542-L571 HydrophobicContact CG1-CD2 4.08Å; I562-L571 HydrophobicContact CD1-CB 4.21Å; I562-L571 HydrophobicContact CD1-CD2 3.78Å; I562-L571 HydrophobicContact CD1-CG 3.69Å; L571-T574 PolarHBondContact O-N 3.09Å; L571-L575 HydrophobicContact CD1-CD1 4.23Å; L571-L575 HydrophobicContact CG-CD1 4.19Å; L571-L575 WeakPolarHBondContact O-CB 3.32Å; L571-L575 WeakPolarHBondContact O-CG 3.48Å; L571-L575 PolarHBondContact O-N 2.8Å; L571-L601 HydrophobicContact CD1-CD1 4.04Å; L571-L601 HydrophobicContact CD1-CD2 3.84Å; L571-L601 HydrophobicContact CD2-CD2 4.15Å; L571-N634 WeakPolarHBondContact CB-OD1 3.32Å; L571-I715 HydrophobicContact CB-CD1 4.39Å; L571-I715 HydrophobicContact CD1-CG2 3.98Å; L571-M806 HydrophobicContact CD2-CE 4.24Å
572	A	94.2	Very high	89.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.7	-34.6	177.1	0	0	0	0	0	112.1	I562 P564 N569 D570 N576 W577 G578	I562-A572 HydrophobicContact CG2-CB 3.96Å; P564-A572 HydrophobicContact CB-CB 3.75Å; P564-A572 HydrophobicContact CG-CB 4.23Å; N569-A572 HydrophobicContact CB-CB 4.06Å; N569-A572 WeakPolarHBondContact O-CB 3.29Å; N569-A572 PolarHBondContact O-N 3.31Å; D570-A572 VanDerWaalsContact C-N 3.26Å; D570-A572 PolarHBondContact O-N 3.37Å; A572-N576 PolarHBondContact O-N 3.1Å; A572-W577 HydrophobicContact CB-CB 4.16Å; A572-W577 WeakPolarHBondContact O-CA 3.35Å; A572-W577 WeakPolarHBondContact O-CB 3.41Å; A572-W577 PolarHBondContact O-N 3.41Å; A572-G578 PolarHBondContact O-N 2.83Å
573	R	91.7	Very high	89.1	Confident	46 Å²	46	26.2 Å²	26.2	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-49.6	171.2	-73.9	174.7	-168.2	72.5	-15.7	111.2	G568 N569 D570 L575 N576 R717 A720 G721	G568-R573 PolarHBondContact O-NH1 3.26Å; G568-R573 PolarHBondContact O-NH2 2.67Å; N569-R573 PolarHBondContact O-N 3.11Å; N569-R573 VanDerWaalsContact O-N 3.1Å; N569-R573 PolarHBondContact O-NH1 2.99Å; D570-R573 PolarHBondContact O-N 3Å; R573-L575 PolarHBondContact O-N 3.38Å; R573-N576 PolarHBondContact O-N 3.34Å; R573-R717 HydrophobicContact CB-CB 4.41Å; R573-R717 HydrophobicContact CB-CG 3.98Å; R573-A720 VanDerWaalsContact CZ-C 3.48Å; R573-A720 PolarHBondContact NE-O 2.89Å; R573-A720 VanDerWaalsContact NH2-C 3.29Å; R573-A720 PolarHBondContact NH2-O 3.24Å; R573-G721 VanDerWaalsContact CD-CA 3.41Å
574	T	92.7	Very high	88.6	Confident	15 Å²	15	27.6 Å²	27.6	9%	0.092	18%	0.177	C	C	.	.	H	α-helix	trans	-53.7	-38.2	176.4	-64.7	0	0	0	0	112.5	D570 L571 N576 I715 R717	D570-T574 PolarHBondContact O-N 3.47Å; D570-T574 PolarHBondContact O-OG1 3.02Å; L571-T574 PolarHBondContact O-N 3.09Å; T574-N576 VanDerWaalsContact C-N 3.33Å; T574-N576 PolarHBondContact O-N 2.78Å; T574-I715 HydrophobicContact CG2-CB 4.17Å; T574-I715 HydrophobicContact CG2-CG2 4.27Å; T574-R717 WeakPolarHBondContact OG1-CG 3.19Å
575	L	93.9	Very high	88.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	18.2	179.1	-65.3	174.9	0	0	0	114.3	I562 L571 R573 W577 V599 M806 Q808 K809	I562-L575 HydrophobicContact CD1-CD1 3.88Å; L571-L575 HydrophobicContact CD1-CD1 4.23Å; L571-L575 HydrophobicContact CG-CD1 4.19Å; L571-L575 WeakPolarHBondContact O-CB 3.32Å; L571-L575 WeakPolarHBondContact O-CG 3.48Å; L571-L575 PolarHBondContact O-N 2.8Å; R573-L575 PolarHBondContact O-N 3.38Å; L575-W577 PolarHBondContact O-N 3.1Å; L575-V599 HydrophobicContact CD2-CG2 3.59Å; L575-M806 HydrophobicContact CD1-CB 3.85Å; L575-M806 HydrophobicContact CD1-CE 3.62Å; L575-M806 HydrophobicContact CD1-CG 4.18Å; L575-M806 HydrophobicContact CD2-CB 4.28Å; L575-Q808 HydrophobicContact CD2-CB 4.33Å; L575-Q808 HydrophobicContact CD2-CG 4.42Å; L575-Q808 WeakPolarHBondContact O-CG 3.46Å; L575-K809 PolarHBondContact O-N 3.13Å
576	N	92.9	Very high	88.3	Confident	61 Å²	61	31.8 Å²	31.8	33%	0.326	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	15.3	179.1	-58.2	-37	0	0	0	115.8	A572 R573 T574 G578 K809	A572-N576 PolarHBondContact O-N 3.1Å; R573-N576 PolarHBondContact O-N 3.34Å; T574-N576 VanDerWaalsContact C-N 3.33Å; T574-N576 PolarHBondContact O-N 2.78Å; N576-G578 VanDerWaalsContact C-N 3.33Å; N576-K809 HydrophobicContact CB-CB 3.96Å; N576-K809 WeakPolarHBondContact O-CB 3.28Å; N576-K809 WeakPolarHBondContact O-CD 3.42Å
577	W	91.6	Very high	88.6	Confident	15 Å²	15	33.5 Å²	33.5	6%	0.057	21%	0.211	C	C	.	.	S	Bend	trans	-79.2	-14.7	176.1	-67.9	97.3	0	0	0	113.9	A561 I562 A572 L575 H592 V593 V807 K809	A561-W577 HydrophobicContact CB-CH2 4.22Å; A561-W577 HydrophobicContact CB-CZ2 3.73Å; I562-W577 HydrophobicContact CB-CG 4.45Å; I562-W577 VanDerWaalsContact O-CE3 3.28Å; I562-W577 VanDerWaalsContact O-CG 3.3Å; A572-W577 HydrophobicContact CB-CB 4.16Å; A572-W577 WeakPolarHBondContact O-CA 3.35Å; A572-W577 WeakPolarHBondContact O-CB 3.41Å; A572-W577 PolarHBondContact O-N 3.41Å; L575-W577 PolarHBondContact O-N 3.1Å; W577-H592 HydrophobicContact CH2-CB 3.83Å; W577-H592 HydrophobicContact CZ3-CB 3.83Å; W577-V593 HydrophobicContact CH2-CB 4.47Å; W577-V593 HydrophobicContact CH2-CG2 3.56Å; W577-V593 HydrophobicContact CZ2-CG2 4.42Å; W577-V593 HydrophobicContact CZ3-CG2 4.13Å; W577-V807 HydrophobicContact CZ2-CB 4.48Å; W577-V807 HydrophobicContact CZ2-CG1 4.1Å; W577-V807 PolarHBondContact NE1-O 2.87Å; W577-K809 HydrophobicContact CD2-CB 3.94Å; W577-K809 HydrophobicContact CD2-CG 4.44Å; W577-K809 HydrophobicContact CE3-CB 4.27Å; W577-K809 HydrophobicContact CE3-CD 4.17Å; W577-K809 HydrophobicContact CE3-CG 4.26Å; W577-K809 HydrophobicContact CG-CB 4.28Å; W577-K809 HydrophobicContact CZ2-CB 4.28Å; W577-K809 HydrophobicContact CZ3-CG 4.33Å
578	G	88.5	Confident	89.1	Confident	30 Å²	30	36.5 Å²	36.5	31%	0.309	22%	0.22	S	C	.	.			trans	95.2	171.4	175.2	0	0	0	0	0	114.1	P564 A572 N576 G580	P564-G578 WeakPolarHBondContact CG-O 3.42Å; A572-G578 PolarHBondContact O-N 2.83Å; N576-G578 VanDerWaalsContact C-N 3.33Å; G578-G580 VanDerWaalsContact C-N 3.34Å; G578-G580 PolarHBondContact O-N 3.43Å
579	G	84.6	Confident	89.9	Confident	34 Å²	34	35.3 Å²	35.3	35%	0.351	21%	0.209	S	C	.	.	S	Bend	trans	-75.9	-15.9	-175.1	0	0	0	0	0	115.5	N569	N569-G579 PolarHBondContact ND2-O 2.89Å
580	G	86.3	Confident	90.1	Very high	22 Å²	22	35.2 Å²	35.2	23%	0.227	21%	0.208	C	C	.	.	S	Bend	trans	-179.4	152.6	179.2	0	0	0	0	0	112.5	P564 G578	P564-G580 CarbonylContact O-C 3.5Å; P564-G580 WeakPolarHBondContact O-CA 3.23Å; G578-G580 VanDerWaalsContact C-N 3.34Å; G578-G580 PolarHBondContact O-N 3.43Å
581	Y	86.9	Confident	90.1	Very high	16 Å²	16	36.4 Å²	36.4	6%	0.063	22%	0.217	C	C	.	.			trans	-71.5	136.5	172.2	174.6	-102.6	0	0	0	111.4	I497 L563 P564 L565 D583 E584 I589 R662	I497-Y581 HydrophobicContact CD1-CD1 3.71Å; I497-Y581 HydrophobicContact CD1-CE1 3.5Å; I497-Y581 HydrophobicContact CD1-CG 4.35Å; I497-Y581 HydrophobicContact CG1-CE1 3.87Å; L563-Y581 HydrophobicContact CD1-CD2 3.81Å; L563-Y581 HydrophobicContact CD1-CE2 4.45Å; L563-Y581 HydrophobicContact CD2-CD2 4.48Å; L563-Y581 HydrophobicContact CG-CD2 4.39Å; P564-Y581 PolarHBondContact O-N 3.14Å; L565-Y581 HydrophobicContact CD2-CD1 4.07Å; L565-Y581 HydrophobicContact CD2-CG 4.03Å; Y581-D583 HydrophobicContact CE1-CB 4.28Å; Y581-D583 WeakPolarHBondContact CE1-OD1 3.24Å; Y581-D583 VanDerWaalsContact CZ-CA 3.41Å; Y581-D583 WeakPolarHBondContact OH-CA 3.41Å; Y581-D583 PolarHBondContact OH-OD1 3.33Å; Y581-E584 HydrophobicContact CE2-CB 4.42Å; Y581-I589 HydrophobicContact CD2-CD1 4.13Å; Y581-I589 HydrophobicContact CE2-CD1 3.72Å; Y581-R662 PolarHBondContact O-NH1 3.08Å; Y581-R662 PolarHBondContact O-NH2 2.94Å
582	T	83.8	Confident	90.1	Very high	116 Å²	116	37.1 Å²	37.1	71%	0.712	22%	0.22	S	C	*	.			trans	-127.8	38	-173.5	47.4	0	0	0	0	111.5	E584	T582-E584 PolarHBondContact O-N 2.77Å
583	D	83.4	Confident	90.1	Very high	100 Å²	100	37.1 Å²	37.1	54%	0.535	22%	0.22	S	C	.	.			trans	57.7	27.3	-175.2	-88.6	-47.2	0	0	0	116.1	Y581	Y581-D583 HydrophobicContact CE1-CB 4.28Å; Y581-D583 WeakPolarHBondContact CE1-OD1 3.24Å; Y581-D583 VanDerWaalsContact CZ-CA 3.41Å; Y581-D583 WeakPolarHBondContact OH-CA 3.41Å; Y581-D583 PolarHBondContact OH-OD1 3.33Å
584	E	85.9	Confident	90.2	Very high	34 Å²	34	36.6 Å²	36.6	16%	0.159	22%	0.219	C	C	.	.			trans	-50.2	130.2	171.5	-178.2	173	-116.4	0	0	111.5	Y581 T582 I586 K588 I589 K809	Y581-E584 HydrophobicContact CE2-CB 4.42Å; T582-E584 PolarHBondContact O-N 2.77Å; E584-I586 PolarHBondContact O-N 3.19Å; E584-K588 HydrophobicContact CG-CB 4.23Å; E584-K588 HydrophobicContact CG-CD 4.02Å; E584-K588 HydrophobicContact CG-CG 4.36Å; E584-K588 WeakPolarHBondContact OE1-CD 3.45Å; E584-K588 WeakPolarHBondContact OE1-CE 3.42Å; E584-K588 IonicContact OE1-NZ 2.63Å; E584-K588 PolarHBondContact OE1-NZ 2.97Å; E584-I589 HydrophobicContact CB-CD1 4.31Å; E584-I589 HydrophobicContact CG-CG1 4.25Å; E584-I589 WeakPolarHBondContact OE2-CG1 3.36Å; E584-K809 IonicContact OE1-NZ 3.21Å; E584-K809 IonicContact OE2-NZ 2.71Å
585	P	88.3	Confident	90.1	Very high	82 Å²	82	39.1 Å²	39.1	53%	0.532	23%	0.232	S	C	.	.			trans	-55.2	125.2	-177.9	-28.9	35.4	0	0	0	113	T587 K588 I589	P585-T587 PolarHBondContact O-N 3.34Å; P585-K588 WeakPolarHBondContact O-CA 3.48Å; P585-K588 WeakPolarHBondContact O-CB 3.11Å; P585-K588 PolarHBondContact O-N 2.82Å; P585-I589 PolarHBondContact O-N 3.1Å
586	I	91.4	Very high	90	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.046	23%	0.233	C	C	.	.	H	α-helix	trans	-50.7	-29.8	-178.3	-57.9	-59.4	0	0	0	113.4	F501 Y504 E584 I589 L590	F501-I586 HydrophobicContact CD1-CG2 3.71Å; F501-I586 HydrophobicContact CE1-CG2 3.55Å; F501-I586 HydrophobicContact CE2-CD1 4.19Å; F501-I586 HydrophobicContact CG-CG2 4.45Å; F501-I586 HydrophobicContact CZ-CD1 4.1Å; F501-I586 HydrophobicContact CZ-CG2 4.18Å; Y504-I586 HydrophobicContact CD2-CB 3.79Å; Y504-I586 HydrophobicContact CD2-CG1 4.47Å; Y504-I586 HydrophobicContact CD2-CG2 3.71Å; Y504-I586 HydrophobicContact CE2-CB 3.86Å; Y504-I586 HydrophobicContact CE2-CG1 4.42Å; Y504-I586 HydrophobicContact CE2-CG2 4.31Å; Y504-I586 HydrophobicContact CG-CG2 4.4Å; E584-I586 PolarHBondContact O-N 3.19Å; I586-I589 HydrophobicContact CD1-CD1 4.08Å; I586-I589 PolarHBondContact O-N 2.93Å; I586-L590 HydrophobicContact CG2-CD1 4.15Å; I586-L590 HydrophobicContact CG2-CG 4.17Å; I586-L590 WeakPolarHBondContact O-CB 3.24Å; I586-L590 VanDerWaalsContact O-CG 3.27Å; I586-L590 WeakPolarHBondContact O-CG 3.32Å; I586-L590 PolarHBondContact O-N 2.97Å
587	T	90.3	Very high	90.1	Very high	50 Å²	50	40.7 Å²	40.7	31%	0.307	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-34.3	174.3	48.7	0	0	0	0	113.6	H417 Y504 P585 S591	H417-T587 PolarHBondContact CE1-O 2.86Å; H417-T587 WeakPolarHBondContact NE2-CB 3.27Å; H417-T587 PolarHBondContact NE2-O 2.9Å; Y504-T587 HydrophobicContact CD1-CG2 3.96Å; Y504-T587 HydrophobicContact CE1-CG2 3.55Å; P585-T587 PolarHBondContact O-N 3.34Å; T587-S591 PolarHBondContact O-N 3.31Å; T587-S591 VanDerWaalsContact O-N 3.1Å; T587-S591 PolarHBondContact O-OG 2.69Å
588	K	91.3	Very high	90.3	Very high	106 Å²	106	43.4 Å²	43.4	46%	0.461	26%	0.259	S	S	.	.	H	α-helix	trans	-70.2	-45.8	173.3	-172.5	173.7	172.4	-143.8	0	110	E584 P585 L590 S591 H592	E584-K588 HydrophobicContact CG-CB 4.23Å; E584-K588 HydrophobicContact CG-CD 4.02Å; E584-K588 HydrophobicContact CG-CG 4.36Å; E584-K588 WeakPolarHBondContact OE1-CD 3.45Å; E584-K588 WeakPolarHBondContact OE1-CE 3.42Å; E584-K588 IonicContact OE1-NZ 2.63Å; E584-K588 PolarHBondContact OE1-NZ 2.97Å; P585-K588 WeakPolarHBondContact O-CA 3.48Å; P585-K588 WeakPolarHBondContact O-CB 3.11Å; P585-K588 PolarHBondContact O-N 2.82Å; K588-L590 PolarHBondContact O-N 3.11Å; K588-S591 WeakPolarHBondContact O-CB 3.42Å; K588-S591 PolarHBondContact O-N 2.85Å; K588-S591 VanDerWaalsContact O-N 3.1Å; K588-H592 PolarHBondContact O-CD2 3.48Å; K588-H592 PolarHBondContact O-N 3.05Å
589	I	93.8	Very high	90.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-47.9	173.2	-67.1	160.8	0	0	0	111.5	F501 L534 L563 Y581 E584 P585 I586 S591 H592 V593	F501-I589 HydrophobicContact CZ-CG2 4.35Å; L534-I589 HydrophobicContact CD2-CG2 4.18Å; L563-I589 HydrophobicContact CD1-CD1 3.62Å; L563-I589 HydrophobicContact CD1-CG1 4.2Å; L563-I589 HydrophobicContact CD1-CG2 4.36Å; Y581-I589 HydrophobicContact CD2-CD1 4.13Å; Y581-I589 HydrophobicContact CE2-CD1 3.72Å; E584-I589 HydrophobicContact CB-CD1 4.31Å; E584-I589 HydrophobicContact CG-CG1 4.25Å; E584-I589 WeakPolarHBondContact OE2-CG1 3.36Å; P585-I589 PolarHBondContact O-N 3.1Å; I586-I589 HydrophobicContact CD1-CD1 4.08Å; I586-I589 PolarHBondContact O-N 2.93Å; I589-S591 VanDerWaalsContact C-N 3.27Å; I589-S591 PolarHBondContact O-N 3.47Å; I589-H592 PolarHBondContact O-N 2.84Å; I589-H592 VanDerWaalsContact O-N 3.14Å; I589-V593 HydrophobicContact CG2-CG2 4.34Å; I589-V593 WeakPolarHBondContact O-CG2 3.27Å; I589-V593 PolarHBondContact O-N 2.89Å
590	L	94.5	Very high	91.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-37.5	176.8	-71.9	175.7	0	0	0	112.1	H417 V420 L481 F501 L505 I586 K588 V593 E594	H417-L590 HydrophobicContact CB-CD1 4.41Å; V420-L590 HydrophobicContact CG2-CD2 4.46Å; L481-L590 HydrophobicContact CD2-CD2 3.57Å; F501-L590 HydrophobicContact CD1-CD2 4.46Å; F501-L590 HydrophobicContact CE1-CD2 4.07Å; F501-L590 HydrophobicContact CE1-CG 4.5Å; L505-L590 HydrophobicContact CD1-CD2 4.23Å; L505-L590 HydrophobicContact CD2-CD1 3.83Å; L505-L590 HydrophobicContact CD2-CD2 3.89Å; L505-L590 HydrophobicContact CG-CD1 4.48Å; L505-L590 HydrophobicContact CG-CD2 4.42Å; I586-L590 HydrophobicContact CG2-CD1 4.15Å; I586-L590 HydrophobicContact CG2-CG 4.17Å; I586-L590 WeakPolarHBondContact O-CB 3.24Å; I586-L590 VanDerWaalsContact O-CG 3.27Å; I586-L590 WeakPolarHBondContact O-CG 3.32Å; I586-L590 PolarHBondContact O-N 2.97Å; K588-L590 PolarHBondContact O-N 3.11Å; L590-V593 PolarHBondContact O-N 3.15Å; L590-E594 VanDerWaalsContact O-CB 3.29Å; L590-E594 WeakPolarHBondContact O-CB 3.48Å; L590-E594 PolarHBondContact O-N 2.86Å
591	S	92.9	Very high	91.7	Very high	27 Å²	27	43.4 Å²	43.4	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-44.3	174.1	-51.2	0	0	0	0	111.5	H417 T587 K588 I589 V593 E594 D595	H417-S591 PolarHBondContact CE1-OG 2.87Å; T587-S591 PolarHBondContact O-N 3.31Å; T587-S591 VanDerWaalsContact O-N 3.1Å; T587-S591 PolarHBondContact O-OG 2.69Å; K588-S591 WeakPolarHBondContact O-CB 3.42Å; K588-S591 PolarHBondContact O-N 2.85Å; K588-S591 VanDerWaalsContact O-N 3.1Å; I589-S591 VanDerWaalsContact C-N 3.27Å; I589-S591 PolarHBondContact O-N 3.47Å; S591-V593 VanDerWaalsContact C-N 3.35Å; S591-V593 PolarHBondContact O-N 3.2Å; S591-E594 PolarHBondContact O-N 2.73Å; S591-D595 WeakPolarHBondContact O-CB 3.48Å; S591-D595 PolarHBondContact O-N 3.1Å
592	H	93	Very high	92.2	Very high	16 Å²	16	42.6 Å²	42.6	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-34.5	176.5	-69.9	-62	0	0	0	113.1	W577 K588 I589 G596 K809	W577-H592 HydrophobicContact CH2-CB 3.83Å; W577-H592 HydrophobicContact CZ3-CB 3.83Å; K588-H592 PolarHBondContact O-CD2 3.48Å; K588-H592 PolarHBondContact O-N 3.05Å; I589-H592 PolarHBondContact O-N 2.84Å; I589-H592 VanDerWaalsContact O-N 3.14Å; H592-G596 WeakPolarHBondContact O-CA 3.49Å; H592-G596 PolarHBondContact O-N 3.47Å; H592-K809 HydrophobicContact CB-CG 4.1Å; H592-K809 WeakPolarHBondContact CD2-CE 3.2Å; H592-K809 VanDerWaalsContact CG-CE 3.49Å; H592-K809 VanDerWaalsContact NE2-CE 3.35Å; H592-K809 WeakPolarHBondContact NE2-CE 3.3Å
593	V	94.9	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-74	-28.8	174.6	176.5	0	0	0	0	111.8	L481 R532 L534 A561 W577 I589 L590 S591	L481-V593 HydrophobicContact CD1-CG1 3.6Å; L481-V593 HydrophobicContact CD2-CG1 3.9Å; L481-V593 HydrophobicContact CG-CG1 4.38Å; R532-V593 VanDerWaalsContact CD-O 3.27Å; R532-V593 WeakPolarHBondContact CD-O 3.06Å; R532-V593 PolarHBondContact NH1-O 2.87Å; L534-V593 HydrophobicContact CD1-CG2 3.97Å; L534-V593 HydrophobicContact CD2-CG2 4.29Å; A561-V593 HydrophobicContact CB-CG1 4.29Å; A561-V593 HydrophobicContact CB-CG2 3.97Å; W577-V593 HydrophobicContact CH2-CB 4.47Å; W577-V593 HydrophobicContact CH2-CG2 3.56Å; W577-V593 HydrophobicContact CZ2-CG2 4.42Å; W577-V593 HydrophobicContact CZ3-CG2 4.13Å; I589-V593 HydrophobicContact CG2-CG2 4.34Å; I589-V593 WeakPolarHBondContact O-CG2 3.27Å; I589-V593 PolarHBondContact O-N 2.89Å; L590-V593 PolarHBondContact O-N 3.15Å; S591-V593 VanDerWaalsContact C-N 3.35Å; S591-V593 PolarHBondContact O-N 3.2Å
594	E	92.8	Very high	93.4	Very high	35 Å²	35	32.3 Å²	32.3	16%	0.164	18%	0.175	C	C	.	.	H	α-helix	trans	-74.3	-47.3	174.6	-167.2	169	158.9	0	0	111.2	A419 V420 K479 R532 L590 S591	A419-E594 VanDerWaalsContact CB-OE1 3.31Å; A419-E594 WeakPolarHBondContact CB-OE1 3.12Å; V420-E594 HydrophobicContact CG1-CB 3.87Å; V420-E594 HydrophobicContact CG1-CG 3.91Å; K479-E594 HydrophobicContact CD-CG 4.17Å; K479-E594 WeakPolarHBondContact CD-O 3.42Å; K479-E594 WeakPolarHBondContact CE-O 3.27Å; K479-E594 PolarHBondContact NZ-O 3.15Å; R532-E594 PolarHBondContact NH1-O 3.1Å; L590-E594 VanDerWaalsContact O-CB 3.29Å; L590-E594 WeakPolarHBondContact O-CB 3.48Å; L590-E594 PolarHBondContact O-N 2.86Å; S591-E594 PolarHBondContact O-N 2.73Å
595	D	91.3	Very high	94	Very high	68 Å²	68	31.9 Å²	31.9	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-85.8	-23.4	-175.2	-66.1	-21.7	0	0	0	114.5	S591 R812	S591-D595 WeakPolarHBondContact O-CB 3.48Å; S591-D595 PolarHBondContact O-N 3.1Å; D595-R812 IonicContact OD2-CZ 2.95Å; D595-R812 IonicContact OD2-NE 2.72Å; D595-R812 PolarHBondContact OD2-NE 2.86Å; D595-R812 IonicContact OD2-NH2 3.34Å; D595-R812 PolarHBondContact OD2-NH2 3.02Å
596	G	92.6	Very high	94.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-54.6	141.6	-170.6	0	0	0	0	0	114.2	R532 H592 Q808	R532-G596 VanDerWaalsContact CZ-O 3.3Å; R532-G596 PolarHBondContact NH1-O 3.18Å; R532-G596 PolarHBondContact NH2-O 2.81Å; H592-G596 WeakPolarHBondContact O-CA 3.49Å; H592-G596 PolarHBondContact O-N 3.47Å; G596-Q808 VanDerWaalsContact CA-O 3.31Å; G596-Q808 WeakPolarHBondContact CA-O 3.46Å
597	N	94.1	Very high	94.5	Very high	94 Å²	94	31.8 Å²	31.8	50%	0.503	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	148.7	179.4	-69.9	-22	0	0	0	110.4	V807 Q808	N597-V807 CarbonylContact O-C 3.53Å; N597-V807 VanDerWaalsContact O-CA 3.31Å; N597-V807 WeakPolarHBondContact O-CA 3.4Å; N597-Q808 PolarHBondContact N-O 3.39Å; N597-Q808 PolarHBondContact O-N 3.07Å
598	V	95.4	Very high	94.8	Very high	72 Å²	72	31.4 Å²	31.4	44%	0.436	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.6	170.1	-178.1	0	0	0	0	108.2	P559 N805 M806	P559-V598 HydrophobicContact CB-CG1 4.05Å; P559-V598 HydrophobicContact CB-CG2 4Å; P559-V598 HydrophobicContact CG-CG2 3.98Å; V598-N805 HydrophobicContact CG1-CB 4.09Å; V598-M806 VanDerWaalsContact CA-O 3.31Å; V598-M806 WeakPolarHBondContact CA-O 3.42Å
599	V	95.7	Very high	95	Very high	29 Å²	29	30.3 Å²	30.3	18%	0.176	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	163.2	173.5	-59.2	0	0	0	0	109	L575 M806 Q808	L575-V599 HydrophobicContact CD2-CG2 3.59Å; V599-M806 HydrophobicContact CG2-CB 4.03Å; V599-M806 PolarHBondContact N-O 3.33Å; V599-M806 PolarHBondContact O-N 3Å; V599-Q808 HydrophobicContact CG1-CB 3.97Å; V599-Q808 HydrophobicContact CG2-CB 4.15Å
600	Q	96.3	Very high	94.9	Very high	56 Å²	56	34.8 Å²	34.8	26%	0.262	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	162.2	166.9	-61	-49.9	-55.3	0	0	110.2	H739 D740 Q803 A804 N805	Q600-H739 PolarHBondContact O-CD2 2.7Å; Q600-D740 HydrophobicContact CB-CB 3.94Å; Q600-Q803 HydrophobicContact CB-CB 4.15Å; Q600-Q803 HydrophobicContact CB-CG 4.27Å; Q600-Q803 HydrophobicContact CG-CB 4.31Å; Q600-A804 CarbonylContact C-O 3.59Å; Q600-A804 WeakPolarHBondContact CA-O 3.39Å; Q600-N805 PolarHBondContact NE2-OD1 2.82Å; Q600-N805 PolarHBondContact OE1-OD1 3.28Å
601	L	97.1	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	115.9	166.4	174	65.7	0	0	0	106.7	L571 N633 I715 H739 Q803 A804 M806	L571-L601 HydrophobicContact CD1-CD1 4.04Å; L571-L601 HydrophobicContact CD1-CD2 3.84Å; L571-L601 HydrophobicContact CD2-CD2 4.15Å; L601-N633 HydrophobicContact CD2-CB 4.46Å; L601-I715 HydrophobicContact CD1-CG2 3.98Å; L601-H739 CarbonylContact C-O 3.48Å; L601-H739 VanDerWaalsContact CA-O 3.31Å; L601-H739 WeakPolarHBondContact CA-O 3.3Å; L601-H739 HydrophobicContact CD1-CB 4.14Å; L601-Q803 CarbonylContact O-C 3.57Å; L601-Q803 WeakPolarHBondContact O-CA 3.4Å; L601-A804 PolarHBondContact N-O 3.35Å; L601-A804 PolarHBondContact O-N 3.35Å; L601-M806 HydrophobicContact CB-CG 3.53Å; L601-M806 HydrophobicContact CD2-CE 4.47Å; L601-M806 HydrophobicContact CD2-CG 3.9Å; L601-M806 HydrophobicContact CD2-SD 4.17Å; L601-M806 HydrophobicContact CG-CG 4.37Å
602	D	97.2	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	146.2	171	-74.6	-52.6	0	0	0	110.6	W604 N714 H739 D740 D741 G742 L800 Q803	D602-W604 HydrophobicContact CB-CZ2 4.33Å; D602-N714 WeakPolarHBondContact CB-OD1 3.1Å; D602-N714 PolarHBondContact O-ND2 3.25Å; D602-H739 PolarHBondContact N-O 3.01Å; D602-D740 VanDerWaalsContact OD2-C 3.25Å; D602-D740 WeakPolarHBondContact OD2-CA 3.16Å; D602-D740 PolarHBondContact OD2-N 3.23Å; D602-D741 PolarHBondContact OD2-N 2.84Å; D602-G742 WeakPolarHBondContact OD2-CA 3.16Å; D602-G742 PolarHBondContact OD2-N 2.8Å; D602-L800 HydrophobicContact CB-CD1 3.82Å; D602-L800 WeakPolarHBondContact OD1-CD1 3.07Å; D602-Q803 WeakPolarHBondContact OD1-CG 3.33Å; D602-Q803 PolarHBondContact OD1-NE2 2.89Å
603	R	96.6	Very high	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.4	-177.1	-64.3	173.5	65.5	-123.9	5.9	109.5	D550 V631 N633 R801 N802	D550-R603 IonicContact OD1-NH1 3.43Å; D550-R603 PolarHBondContact OD1-NH1 3.11Å; D550-R603 IonicContact OD2-CZ 2.73Å; D550-R603 IonicContact OD2-NH1 3.66Å; D550-R603 PolarHBondContact OD2-NH1 3.05Å; D550-R603 IonicContact OD2-NH2 2.84Å; D550-R603 PolarHBondContact OD2-NH2 3.23Å; R603-V631 HydrophobicContact CB-CG1 4.37Å; R603-N633 PolarHBondContact NE-OD1 3.18Å; R603-R801 WeakPolarHBondContact O-CA 3.43Å; R603-R801 VanDerWaalsContact O-CB 3.24Å; R603-R801 WeakPolarHBondContact O-CB 3.39Å; R603-R801 PolarHBondContact O-N 2.82Å; R603-N802 PolarHBondContact N-O 2.67Å; R603-N802 PolarHBondContact NH1-OD1 2.59Å
604	W	97.1	Very high	93.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.6	-159.8	-63.4	91	0	0	0	111.4	D602 V631 F632 N714 C743 I744 K770 I798 N799 L800	D602-W604 HydrophobicContact CB-CZ2 4.33Å; W604-V631 VanDerWaalsContact O-CA 3.22Å; W604-V631 WeakPolarHBondContact O-CA 3.19Å; W604-V631 WeakPolarHBondContact O-CG1 3.28Å; W604-F632 HydrophobicContact CB-CD1 3.83Å; W604-F632 HydrophobicContact CB-CD2 4.43Å; W604-F632 HydrophobicContact CB-CE1 3.46Å; W604-F632 VanDerWaalsContact CB-CE1 3.46Å; W604-F632 HydrophobicContact CB-CE2 4.1Å; W604-F632 HydrophobicContact CB-CG 4.32Å; W604-F632 HydrophobicContact CB-CZ 3.62Å; W604-F632 AromaticContact CD1-CE2 3.96Å; W604-F632 HydrophobicContact CG-CE1 4.26Å; W604-F632 HydrophobicContact CG-CE2 4.18Å; W604-F632 AromaticContact CG-CZ 3.9Å; W604-F632 HydrophobicContact CG-CZ 3.9Å; W604-F632 PolarHBondContact N-O 2.81Å; W604-F632 VanDerWaalsContact N-O 3.14Å; W604-F632 PolarHBondContact O-N 3.27Å; W604-N714 PolarHBondContact NE1-OD1 3.28Å; W604-C743 WeakPolarHBondContact CZ2-O 3.24Å; W604-I744 HydrophobicContact CB-CD1 4.46Å; W604-I744 HydrophobicContact CD2-CD1 3.46Å; W604-I744 VanDerWaalsContact CD2-CD1 3.46Å; W604-I744 HydrophobicContact CD2-CG1 3.63Å; W604-I744 HydrophobicContact CE3-CD1 3.34Å; W604-I744 HydrophobicContact CE3-CG1 3.84Å; W604-I744 HydrophobicContact CG-CD1 3.92Å; W604-I744 HydrophobicContact CG-CG1 4.18Å; W604-I744 HydrophobicContact CH2-CD1 4.29Å; W604-I744 HydrophobicContact CH2-CG1 3.99Å; W604-I744 HydrophobicContact CZ2-CD1 4.4Å; W604-I744 HydrophobicContact CZ2-CG1 3.8Å; W604-I744 HydrophobicContact CZ3-CD1 3.77Å; W604-I744 HydrophobicContact CZ3-CG1 4Å; W604-K770 WeakPolarHBondContact CZ3-O 3.22Å; W604-I798 HydrophobicContact CB-CG2 4.15Å; W604-I798 HydrophobicContact CE3-CG2 4.3Å; W604-N799 WeakPolarHBondContact CA-O 3.36Å; W604-L800 HydrophobicContact CD2-CD1 4.27Å; W604-L800 HydrophobicContact CE3-CB 4.1Å; W604-L800 VanDerWaalsContact CE3-N 3.29Å; W604-L800 HydrophobicContact CH2-CB 3.9Å; W604-L800 HydrophobicContact CH2-CD1 4.07Å; W604-L800 HydrophobicContact CH2-CG 4.49Å; W604-L800 HydrophobicContact CZ2-CB 4.43Å; W604-L800 HydrophobicContact CZ2-CD1 3.73Å; W604-L800 HydrophobicContact CZ3-CB 3.73Å; W604-L800 HydrophobicContact CZ3-CD1 4.47Å; W604-L800 VanDerWaalsContact CZ3-N 3.34Å
605	N	96.6	Very high	92.4	Very high	25 Å²	25	55.2 Å²	55.2	13%	0.134	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	148.7	174.7	-59.7	-57.1	0	0	0	110.6	D630 I798 N799 R801	N605-D630 CarbonylContact C-O 3.55Å; N605-D630 WeakPolarHBondContact CA-O 3.49Å; N605-I798 WeakPolarHBondContact O-CA 3.48Å; N605-N799 PolarHBondContact N-O 2.91Å; N605-N799 PolarHBondContact ND2-OD1 3.48Å; N605-R801 WeakPolarHBondContact OD1-CB 3.33Å; N605-R801 VanDerWaalsContact OD1-CD 3.25Å; N605-R801 WeakPolarHBondContact OD1-CD 3.38Å; N605-R801 WeakPolarHBondContact OD1-CG 3.27Å; N605-R801 PolarHBondContact OD1-NH1 3Å
606	L	96.3	Very high	91	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.037	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	94.8	167.7	-63.1	177.9	0	0	0	109.3	L627 D630 F632 F636 V784 I796 I798	L606-L627 HydrophobicContact CB-CD1 3.89Å; L606-L627 HydrophobicContact CD1-CD1 3.76Å; L606-L627 HydrophobicContact CG-CD1 4.4Å; L606-D630 PolarHBondContact N-O 3.27Å; L606-F632 HydrophobicContact CD1-CD1 4.03Å; L606-F632 HydrophobicContact CD2-CD1 3.84Å; L606-F632 HydrophobicContact CD2-CE1 3.8Å; L606-F632 HydrophobicContact CG-CD1 3.92Å; L606-F632 HydrophobicContact CG-CE1 4.37Å; L606-F636 HydrophobicContact CD1-CB 4.39Å; L606-F636 HydrophobicContact CD1-CD2 3.93Å; L606-F636 HydrophobicContact CD1-CE2 4.38Å; L606-F636 HydrophobicContact CD1-CG 4.12Å; L606-F636 HydrophobicContact CD2-CD1 4.07Å; L606-F636 HydrophobicContact CD2-CE1 4.46Å; L606-F636 HydrophobicContact CD2-CG 4.17Å; L606-V784 HydrophobicContact CD1-CB 4.4Å; L606-V784 HydrophobicContact CD1-CG1 3.7Å; L606-V784 HydrophobicContact CD1-CG2 3.75Å; L606-I796 HydrophobicContact CD2-CG2 4.37Å; L606-I798 HydrophobicContact CD2-CB 4.43Å; L606-I798 HydrophobicContact CD2-CD1 4.06Å; L606-I798 HydrophobicContact CD2-CG1 3.79Å; L606-I798 HydrophobicContact CD2-CG2 4.12Å
607	N	95.8	Very high	89.6	Confident	81 Å²	81	63.1 Å²	63.1	43%	0.433	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.1	176.9	-71.6	21.6	0	0	0	109.3	I796 R797	N607-I796 CarbonylContact O-C 3.54Å; N607-I796 WeakPolarHBondContact O-CA 3.17Å; N607-R797 HydrophobicContact CB-CB 4.28Å; N607-R797 PolarHBondContact N-O 3.24Å; N607-R797 PolarHBondContact O-N 2.81Å
608	V	95.4	Very high	87.9	Confident	43 Å²	43	67.8 Å²	67.8	26%	0.261	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.4	-176.2	-172.8	0	0	0	0	110.7	L627 L791 I796	V608-L627 HydrophobicContact CG2-CB 4.41Å; V608-L627 HydrophobicContact CG2-CD1 3.6Å; V608-L627 HydrophobicContact CG2-CG 3.84Å; V608-L791 HydrophobicContact CG1-CD2 4.14Å; V608-I796 HydrophobicContact CG2-CG1 4.44Å
609	E	94.8	Very high	86.2	Confident	82 Å²	82	72.2 Å²	72.2	38%	0.383	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.4	177.9	-60.9	176.4	135.7	0	0	108.8	N611 S794 I795 R797	E609-N611 PolarHBondContact O-N 2.88Å; E609-S794 CarbonylContact O-C 3.58Å; E609-S794 WeakPolarHBondContact O-CA 3.34Å; E609-I795 HydrophobicContact CB-CB 4.43Å; E609-I795 PolarHBondContact N-O 2.84Å; E609-I795 PolarHBondContact O-N 2.68Å; E609-R797 IonicContact OE1-NH2 3.86Å; E609-R797 IonicContact OE2-CZ 3.22Å; E609-R797 IonicContact OE2-NE 2.84Å; E609-R797 PolarHBondContact OE2-NE 2.86Å; E609-R797 IonicContact OE2-NH2 2.72Å; E609-R797 PolarHBondContact OE2-NH2 3.46Å
610	P	92.1	Very high	84.6	Confident	94 Å²	94	74.7 Å²	74.7	61%	0.61	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	136.8	-179.8	-24.1	34.5	0	0	0	112.6	T612	P610-T612 PolarHBondContact O-N 2.88Å
611	N	91.4	Very high	83.1	Confident	12 Å²	12	81.7 Å²	81.7	6%	0.064	41%	0.408	C	S	.	.			trans	-83.6	104.3	179.9	-176.1	7.6	0	0	0	111.5	E609 E613 A614 T775 T776 F777 P793 I795	E609-N611 PolarHBondContact O-N 2.88Å; N611-E613 VanDerWaalsContact C-N 3.26Å; N611-E613 PolarHBondContact O-N 3.34Å; N611-E613 WeakPolarHBondContact OD1-CB 3.24Å; N611-E613 PolarHBondContact OD1-N 3.3Å; N611-A614 HydrophobicContact CB-CB 4.33Å; N611-A614 WeakPolarHBondContact O-CB 3.21Å; N611-A614 PolarHBondContact O-N 3.38Å; N611-T775 VanDerWaalsContact ND2-CG2 3.34Å; N611-T775 WeakPolarHBondContact ND2-CG2 3.38Å; N611-T776 PolarHBondContact ND2-O 3.3Å; N611-F777 WeakPolarHBondContact ND2-CD1 3.41Å; N611-P793 HydrophobicContact CB-CB 4.3Å; N611-P793 WeakPolarHBondContact CB-O 3.47Å; N611-P793 PolarHBondContact N-O 3.16Å; N611-I795 HydrophobicContact CB-CG1 4.38Å
612	T	87.3	Confident	81.8	Confident	135 Å²	135	88.4 Å²	88.4	83%	0.828	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.7	176.2	53.4	0	0	0	0	114.5	P610	P610-T612 PolarHBondContact O-N 2.88Å
613	E	84.3	Confident	81	Confident	124 Å²	124	90.1 Å²	90.1	58%	0.579	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-11.2	174.6	-53.9	-179.6	155.6	0	0	112.2	N611 R690 F777	N611-E613 VanDerWaalsContact C-N 3.26Å; N611-E613 PolarHBondContact O-N 3.34Å; N611-E613 WeakPolarHBondContact OD1-CB 3.24Å; N611-E613 PolarHBondContact OD1-N 3.3Å; E613-R690 IonicContact OE2-NH1 3.87Å; E613-R690 IonicContact OE2-NH2 3.67Å; E613-F777 HydrophobicContact CB-CE1 4.32Å
614	A	80.4	Confident	80.6	Confident	21 Å²	21	92.5 Å²	92.5	17%	0.174	46%	0.462	C	S	.	.	S	Bend	trans	-71.9	147.1	178.3	0	0	0	0	0	111.8	N611 P793	N611-A614 HydrophobicContact CB-CB 4.33Å; N611-A614 WeakPolarHBondContact O-CB 3.21Å; N611-A614 PolarHBondContact O-N 3.38Å; A614-P793 HydrophobicContact CB-CB 3.37Å; A614-P793 HydrophobicContact CB-CG 3.96Å
615	R	71.8	Confident	80	Confident	216 Å²	216	96 Å²	96	82%	0.815	48%	0.481	S	S	*	.			trans	-69.7	145.6	174.7	-66.1	-178.7	-180	177	0.3	109.9	E617	R615-E617 VanDerWaalsContact C-N 3.29Å; R615-E617 PolarHBondContact O-N 3.3Å
616	P	63.5	Low	79.6	Confident	139 Å²	139	102.3 Å²	102.3	90%	0.903	51%	0.507	S	S	*	.			trans	-69.2	88.3	168.4	-13.2	28.7	0	0	0	109.8
617	E	62.8	Low	79.3	Confident	96 Å²	96	103 Å²	103	45%	0.449	51%	0.511	S	S	.	.			trans	-73.3	158.1	160.3	-61.8	-167.5	142.9	0	0	109.5	R615 R619 K778	R615-E617 VanDerWaalsContact C-N 3.29Å; R615-E617 PolarHBondContact O-N 3.3Å; E617-R619 PolarHBondContact O-N 3.25Å; E617-K778 IonicContact OE1-NZ 2.76Å; E617-K778 PolarHBondContact OE1-NZ 2.79Å; E617-K778 WeakPolarHBondContact OE2-CG 3.46Å; E617-K778 IonicContact OE2-NZ 3.57Å; E617-K778 PolarHBondContact OE2-NZ 3.28Å
618	E	57.8	Low	78.8	Confident	191 Å²	191	102.5 Å²	102.5	89%	0.893	51%	0.511	S	S	*	.			trans	-60.3	134.7	175	-63.2	-175.8	147.6	0	0	110	D620	E618-D620 PolarHBondContact O-N 2.95Å
619	R	59.8	Low	78.5	Confident	166 Å²	166	103.1 Å²	103.1	63%	0.626	51%	0.513	S	S	*	.			trans	-73.5	98.9	-177.6	-77.4	-155.5	155.5	-136	-11.6	110.3	E617 E621 D625	E617-R619 PolarHBondContact O-N 3.25Å; R619-E621 PolarHBondContact O-N 2.75Å; R619-D625 IonicContact CZ-OD1 3.51Å; R619-D625 IonicContact CZ-OD2 2.75Å; R619-D625 IonicContact NH1-OD1 2.72Å; R619-D625 IonicContact NH1-OD2 3.56Å; R619-D625 PolarHBondContact NH1-OD2 3.43Å; R619-D625 IonicContact NH2-OD1 2.73Å; R619-D625 PolarHBondContact NH2-OD1 3.32Å; R619-D625 IonicContact NH2-OD2 3.54Å; R619-D625 PolarHBondContact NH2-OD2 3.19Å
620	D	62.5	Low	78.4	Confident	80 Å²	80	103.5 Å²	103.5	43%	0.428	52%	0.518	S	S	.	.			trans	-46.7	128.1	162.2	-95.3	-39.1	0	0	0	110.7	E618 Q622 Q623 K790	E618-D620 PolarHBondContact O-N 2.95Å; D620-Q622 PolarHBondContact O-N 2.96Å; D620-Q622 VanDerWaalsContact O-N 3.08Å; D620-Q623 HydrophobicContact CB-CB 4.42Å; D620-Q623 WeakPolarHBondContact O-CG 3.4Å; D620-Q623 PolarHBondContact O-N 3.42Å; D620-K790 IonicContact OD1-NZ 2.66Å; D620-K790 VanDerWaalsContact OD2-CE 3.31Å; D620-K790 WeakPolarHBondContact OD2-CE 3.43Å; D620-K790 IonicContact OD2-NZ 2.7Å; D620-K790 PolarHBondContact OD2-NZ 2.94Å
621	E	63.9	Low	78.5	Confident	203 Å²	203	99.1 Å²	99.1	95%	0.949	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.8	-179.8	-62	-168.1	141.3	0	0	113.2	R619	R619-E621 PolarHBondContact O-N 2.75Å
622	Q	69.4	Low	78.7	Confident	141 Å²	141	98.5 Å²	98.5	66%	0.659	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.5	-177.7	-64.9	175.8	-35.7	0	0	114.4	D620	D620-Q622 PolarHBondContact O-N 2.96Å; D620-Q622 VanDerWaalsContact O-N 3.08Å
623	Q	81.8	Confident	79.1	Confident	37 Å²	37	92.4 Å²	92.4	17%	0.173	45%	0.448	C	S	.	.			trans	-85	147.3	-178.3	82	-176.2	-22.6	0	0	112.8	D620 S779 K790 A792	D620-Q623 HydrophobicContact CB-CB 4.42Å; D620-Q623 WeakPolarHBondContact O-CG 3.4Å; D620-Q623 PolarHBondContact O-N 3.42Å; Q623-S779 PolarHBondContact OE1-OG 3.29Å; Q623-S779 VanDerWaalsContact OE1-OG 3.09Å; Q623-K790 WeakPolarHBondContact CA-O 3.38Å; Q623-A792 HydrophobicContact CG-CB 4.39Å
624	T	86.6	Confident	79.6	Confident	50 Å²	50	86.6 Å²	86.6	31%	0.307	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-113.5	140.8	174.8	171.6	0	0	0	0	111.5	K626 C789 K790 L791 A792	T624-K626 WeakPolarHBondContact CG2-O 3.43Å; T624-K626 PolarHBondContact O-N 3.26Å; T624-K626 PolarHBondContact OG1-N 2.63Å; T624-K626 PolarHBondContact OG1-O 3.42Å; T624-C789 HydrophobicContact CG2-CB 3.82Å; T624-K790 WeakPolarHBondContact CG2-O 3.41Å; T624-K790 PolarHBondContact N-O 3.15Å; T624-L791 HydrophobicContact CG2-CD1 4.44Å; T624-A792 PolarHBondContact O-N 3.35Å
625	D	85.6	Confident	80.3	Confident	73 Å²	73	86.9 Å²	86.9	39%	0.39	42%	0.418	S	S	.	.	S	Bend	trans	-79.9	4.6	171.5	-63.4	-62.3	0	0	0	112.3	R619	R619-D625 IonicContact CZ-OD1 3.51Å; R619-D625 IonicContact CZ-OD2 2.75Å; R619-D625 IonicContact NH1-OD1 2.72Å; R619-D625 IonicContact NH1-OD2 3.56Å; R619-D625 PolarHBondContact NH1-OD2 3.43Å; R619-D625 IonicContact NH2-OD1 2.73Å; R619-D625 PolarHBondContact NH2-OD1 3.32Å; R619-D625 IonicContact NH2-OD2 3.54Å; R619-D625 PolarHBondContact NH2-OD2 3.19Å
626	K	88.8	Confident	81.5	Confident	157 Å²	157	76.6 Å²	76.6	68%	0.683	38%	0.379	S	S	*	.	S	Bend	trans	-148	147.9	-178.8	-63.8	-174.3	-179	179.1	0	113.9	T624	T624-K626 WeakPolarHBondContact CG2-O 3.43Å; T624-K626 PolarHBondContact O-N 3.26Å; T624-K626 PolarHBondContact OG1-N 2.63Å; T624-K626 PolarHBondContact OG1-O 3.42Å
627	L	89.7	Confident	83	Confident	23 Å²	23	70 Å²	70	12%	0.12	34%	0.336	C	S	.	.			trans	-70.9	155.7	168.3	-69.4	174.8	0	0	0	112	L606 V608 F636 M782 V784 L791	L606-L627 HydrophobicContact CB-CD1 3.89Å; L606-L627 HydrophobicContact CD1-CD1 3.76Å; L606-L627 HydrophobicContact CG-CD1 4.4Å; V608-L627 HydrophobicContact CG2-CB 4.41Å; V608-L627 HydrophobicContact CG2-CD1 3.6Å; V608-L627 HydrophobicContact CG2-CG 3.84Å; L627-F636 HydrophobicContact CD1-CE2 4.3Å; L627-F636 HydrophobicContact CD2-CE2 4.34Å; L627-M782 HydrophobicContact CD2-CB 4.22Å; L627-M782 HydrophobicContact CD2-SD 4.29Å; L627-V784 HydrophobicContact CD1-CG2 4.3Å; L627-V784 HydrophobicContact CD2-CG2 4.21Å; L627-L791 HydrophobicContact CD2-CD1 4.18Å; L627-L791 HydrophobicContact CD2-CD2 4.14Å; L627-L791 HydrophobicContact CG-CD1 4.21Å; L627-L791 HydrophobicContact CG-CD2 4.31Å
628	P	85.9	Confident	84.5	Confident	69 Å²	69	65.4 Å²	65.4	45%	0.448	32%	0.315	S	S	.	.	S	Bend	trans	-71.7	-26.1	-179.9	27.8	-34.9	0	0	0	114	E787	P628-E787 HydrophobicContact CG-CB 4.22Å; P628-E787 WeakPolarHBondContact CG-O 3.4Å
629	I	88.5	Confident	86.1	Confident	57 Å²	57	56.4 Å²	56.4	29%	0.292	27%	0.273	S	S	.	.			trans	-137.9	139.8	179.3	-42.5	-179	0	0	0	109.3	V631 V784 E787	I629-V631 VanDerWaalsContact C-N 3.33Å; I629-V631 VanDerWaalsContact CG2-O 3.31Å; I629-V631 WeakPolarHBondContact CG2-O 3.4Å; I629-V784 HydrophobicContact CB-CG1 4.18Å; I629-E787 HydrophobicContact CD1-CB 4.39Å; I629-E787 HydrophobicContact CD1-CG 4.11Å
630	D	92.1	Very high	87.5	Confident	90 Å²	90	49.1 Å²	49.1	48%	0.481	25%	0.246	S	C	.	.	S	Bend	trans	-85.3	0.1	178.2	69.3	-53.7	0	0	0	114	N605 L606 R801	N605-D630 CarbonylContact C-O 3.55Å; N605-D630 WeakPolarHBondContact CA-O 3.49Å; L606-D630 PolarHBondContact N-O 3.27Å; D630-R801 IonicContact OD2-CZ 3.94Å; D630-R801 IonicContact OD2-NH1 3.22Å; D630-R801 PolarHBondContact OD2-NH1 2.99Å; D630-R801 IonicContact OD2-NH2 2.9Å
631	V	94.1	Very high	88.8	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.4	-174.2	-172.7	0	0	0	0	110.8	R603 W604 I629	R603-V631 HydrophobicContact CB-CG1 4.37Å; W604-V631 VanDerWaalsContact O-CA 3.22Å; W604-V631 WeakPolarHBondContact O-CA 3.19Å; W604-V631 WeakPolarHBondContact O-CG1 3.28Å; I629-V631 VanDerWaalsContact C-N 3.33Å; I629-V631 VanDerWaalsContact CG2-O 3.31Å; I629-V631 WeakPolarHBondContact CG2-O 3.4Å
632	F	95.6	Very high	90.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	157.8	166.1	74.6	-92.2	0	0	0	112.9	W604 L606 F636 F712 N714 I744 V784 D785 I798	W604-F632 HydrophobicContact CB-CD1 3.83Å; W604-F632 HydrophobicContact CB-CD2 4.43Å; W604-F632 HydrophobicContact CB-CE1 3.46Å; W604-F632 VanDerWaalsContact CB-CE1 3.46Å; W604-F632 HydrophobicContact CB-CE2 4.1Å; W604-F632 HydrophobicContact CB-CG 4.32Å; W604-F632 HydrophobicContact CB-CZ 3.62Å; W604-F632 AromaticContact CD1-CE2 3.96Å; W604-F632 HydrophobicContact CG-CE1 4.26Å; W604-F632 HydrophobicContact CG-CE2 4.18Å; W604-F632 AromaticContact CG-CZ 3.9Å; W604-F632 HydrophobicContact CG-CZ 3.9Å; W604-F632 PolarHBondContact N-O 2.81Å; W604-F632 VanDerWaalsContact N-O 3.14Å; W604-F632 PolarHBondContact O-N 3.27Å; L606-F632 HydrophobicContact CD1-CD1 4.03Å; L606-F632 HydrophobicContact CD2-CD1 3.84Å; L606-F632 HydrophobicContact CD2-CE1 3.8Å; L606-F632 HydrophobicContact CG-CD1 3.92Å; L606-F632 HydrophobicContact CG-CE1 4.37Å; F632-F636 HydrophobicContact CD1-CB 3.88Å; F632-F636 HydrophobicContact CE1-CB 3.9Å; F632-F636 HydrophobicContact CG-CB 4.26Å; F632-F636 HydrophobicContact CZ-CB 4.31Å; F632-F712 HydrophobicContact CZ-CB 4.44Å; F632-N714 HydrophobicContact CE2-CB 4.04Å; F632-I744 HydrophobicContact CZ-CD1 3.78Å; F632-I744 HydrophobicContact CZ-CG1 4.32Å; F632-V784 HydrophobicContact CB-CG1 3.85Å; F632-D785 WeakPolarHBondContact CA-OD2 3.27Å; F632-I798 HydrophobicContact CE1-CG2 3.69Å; F632-I798 HydrophobicContact CZ-CG2 4.15Å
633	N	95.4	Very high	91.1	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.032	16%	0.164	C	C	.	.	S	Bend	trans	-126.6	-26.6	-175.2	-45.5	-96.6	0	0	0	111.2	L601 R603 N714 D785	L601-N633 HydrophobicContact CD2-CB 4.46Å; R603-N633 PolarHBondContact NE-OD1 3.18Å; N633-N714 PolarHBondContact O-ND2 3.3Å; N633-D785 WeakPolarHBondContact CB-OD2 3.34Å; N633-D785 PolarHBondContact N-OD1 2.97Å; N633-D785 PolarHBondContact N-OD2 3.2Å; N633-D785 PolarHBondContact ND2-OD2 3.22Å
634	N	94.8	Very high	91.5	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	16%	0.156	C	C	.	.	S	Bend	trans	-110	-60.8	178.3	-62.7	9.1	0	0	0	110.3	D539 L571 N714 I715 D785	D539-N634 PolarHBondContact OD1-ND2 3.21Å; D539-N634 VanDerWaalsContact OD1-ND2 3.11Å; L571-N634 WeakPolarHBondContact CB-OD1 3.32Å; N634-N714 PolarHBondContact O-N 3.09Å; N634-I715 HydrophobicContact CB-CD1 3.68Å; N634-I715 HydrophobicContact CB-CG1 4.12Å; N634-D785 WeakPolarHBondContact CA-OD1 3.41Å; N634-D785 WeakPolarHBondContact CB-OD1 3.48Å; N634-D785 PolarHBondContact N-OD1 2.94Å
635	Y	95.4	Very high	91.6	Very high	28 Å²	28	28.5 Å²	28.5	11%	0.11	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	162	-176	47.2	-109.2	0	0	0	114.2	L711 F712 L713 Y718 D785	Y635-L711 HydrophobicContact CG-CD1 4.18Å; Y635-F712 CarbonylContact C-O 3.47Å; Y635-F712 WeakPolarHBondContact CA-O 3.47Å; Y635-F712 WeakPolarHBondContact CB-O 3.4Å; Y635-L713 HydrophobicContact CD1-CD1 4.01Å; Y635-L713 HydrophobicContact CG-CD1 4.47Å; Y635-Y718 AromaticContact CD1-CD2 3.76Å; Y635-Y718 HydrophobicContact CD1-CD2 3.76Å; Y635-Y718 HydrophobicContact CD1-CE2 4.41Å; Y635-Y718 AromaticContact CE1-CD2 3.69Å; Y635-Y718 HydrophobicContact CE1-CD2 3.69Å; Y635-Y718 HydrophobicContact CE1-CE2 4.33Å; Y635-Y718 HydrophobicContact CG-CD2 4.3Å; Y635-D785 PolarHBondContact N-OD1 2.91Å; Y635-D785 PolarHBondContact O-N 2.99Å
636	F	96.5	Very high	91.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.7	166.4	166.7	-119.2	0	0	0	108.7	L606 L627 F632 L638 F712 L774 M782 Q783 V784 I796 I798	L606-F636 HydrophobicContact CD1-CB 4.39Å; L606-F636 HydrophobicContact CD1-CD2 3.93Å; L606-F636 HydrophobicContact CD1-CE2 4.38Å; L606-F636 HydrophobicContact CD1-CG 4.12Å; L606-F636 HydrophobicContact CD2-CD1 4.07Å; L606-F636 HydrophobicContact CD2-CE1 4.46Å; L606-F636 HydrophobicContact CD2-CG 4.17Å; L627-F636 HydrophobicContact CD1-CE2 4.3Å; L627-F636 HydrophobicContact CD2-CE2 4.34Å; F632-F636 HydrophobicContact CD1-CB 3.88Å; F632-F636 HydrophobicContact CE1-CB 3.9Å; F632-F636 HydrophobicContact CG-CB 4.26Å; F632-F636 HydrophobicContact CZ-CB 4.31Å; F636-L638 HydrophobicContact CE1-CD2 4.44Å; F636-F712 HydrophobicContact CB-CB 4.37Å; F636-F712 HydrophobicContact CD1-CB 4.4Å; F636-F712 AromaticContact CD1-CD2 3.5Å; F636-F712 HydrophobicContact CD1-CD2 3.5Å; F636-F712 HydrophobicContact CD1-CE2 4.15Å; F636-F712 HydrophobicContact CD1-CG 4.24Å; F636-F712 AromaticContact CE1-CD2 3.98Å; F636-F712 HydrophobicContact CE1-CD2 3.98Å; F636-F712 HydrophobicContact CE1-CE2 4.16Å; F636-F712 HydrophobicContact CG-CD2 4.47Å; F636-F712 PolarHBondContact N-O 3.13Å; F636-F712 PolarHBondContact O-N 3.37Å; F636-L774 HydrophobicContact CE1-CD2 4.04Å; F636-L774 HydrophobicContact CZ-CD2 4.39Å; F636-M782 HydrophobicContact CE2-CB 4.02Å; F636-M782 HydrophobicContact CE2-SD 4.16Å; F636-M782 HydrophobicContact CZ-SD 3.85Å; F636-Q783 WeakPolarHBondContact CA-O 3.32Å; F636-Q783 WeakPolarHBondContact CD2-O 3.31Å; F636-V784 HydrophobicContact CD2-CG2 3.95Å; F636-V784 HydrophobicContact CE2-CG2 4.34Å; F636-I796 HydrophobicContact CE1-CG2 4.43Å; F636-I796 HydrophobicContact CZ-CD1 3.94Å; F636-I796 HydrophobicContact CZ-CG2 4.49Å; F636-I798 HydrophobicContact CD1-CD1 3.76Å; F636-I798 HydrophobicContact CE1-CD1 4.14Å
637	S	95.2	Very high	91.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.7	179.4	95.8	0	0	0	0	112.7	D641 L710 M782 Q783	S637-D641 PolarHBondContact OG-OD2 2.76Å; S637-L710 WeakPolarHBondContact CA-O 3.29Å; S637-M782 CarbonylContact O-C 3.54Å; S637-M782 VanDerWaalsContact O-CA 3.28Å; S637-M782 WeakPolarHBondContact O-CA 3.42Å; S637-Q783 PolarHBondContact N-O 3.49Å; S637-Q783 PolarHBondContact O-N 3.26Å; S637-Q783 WeakPolarHBondContact OG-CG 3.18Å; S637-Q783 PolarHBondContact OG-NE2 3.02Å
638	L	94.3	Very high	91.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.9	172.5	63.7	153.1	0	0	0	112.2	F636 L685 I689 C709 L710 F712 L774 I780 P781 M782	F636-L638 HydrophobicContact CE1-CD2 4.44Å; L638-L685 HydrophobicContact CD1-CD1 4.38Å; L638-I689 HydrophobicContact CD1-CG2 4.14Å; L638-C709 WeakPolarHBondContact O-CA 3.35Å; L638-C709 PolarHBondContact O-SG 3.02Å; L638-L710 HydrophobicContact CD2-CB 3.94Å; L638-L710 HydrophobicContact CD2-CD2 4.25Å; L638-L710 HydrophobicContact CD2-CG 4.41Å; L638-L710 HydrophobicContact CG-CB 4.23Å; L638-L710 PolarHBondContact N-O 2.83Å; L638-L710 PolarHBondContact O-N 2.93Å; L638-L710 VanDerWaalsContact O-N 3.1Å; L638-F712 HydrophobicContact CD2-CD2 4.38Å; L638-F712 HydrophobicContact CD2-CE2 3.79Å; L638-L774 HydrophobicContact CD1-CD1 4.29Å; L638-L774 HydrophobicContact CD1-CD2 3.95Å; L638-L774 HydrophobicContact CD2-CD2 3.78Å; L638-I780 HydrophobicContact CB-CG2 4.11Å; L638-I780 HydrophobicContact CD1-CG2 4.25Å; L638-P781 WeakPolarHBondContact CA-O 3.43Å; L638-M782 HydrophobicContact CB-CB 4.46Å; L638-M782 HydrophobicContact CB-CG 3.88Å
639	G	91.8	Very high	91.5	Very high	1 Å²	1	18 Å²	18	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93	-138.3	-175.6	0	0	0	0	0	112.7	D641 A642 H643 P781	G639-D641 PolarHBondContact O-N 2.93Å; G639-A642 PolarHBondContact O-N 3.43Å; G639-H643 PolarHBondContact O-N 2.78Å; G639-P781 PolarHBondContact N-O 2.79Å; G639-P781 VanDerWaalsContact N-O 3.12Å
640	F	89.5	Confident	91.5	Very high	13 Å²	13	20 Å²	20	6%	0.057	10%	0.102	C	C	.	.	H	α-helix	trans	-55.9	-49	-169.3	-173.3	-92.2	0	0	0	114.6	A642 H643 V644 D676 F677 Q708 C709 M751 L754	F640-A642 PolarHBondContact O-N 3.19Å; F640-H643 WeakPolarHBondContact O-CB 3.19Å; F640-H643 PolarHBondContact O-N 2.96Å; F640-H643 VanDerWaalsContact O-N 3.16Å; F640-V644 HydrophobicContact CD1-CG2 4.17Å; F640-V644 HydrophobicContact CE1-CG2 3.77Å; F640-V644 HydrophobicContact CZ-CG2 3.99Å; F640-V644 WeakPolarHBondContact O-CG2 3.35Å; F640-V644 PolarHBondContact O-N 3.09Å; F640-D676 HydrophobicContact CE2-CB 4.06Å; F640-D676 HydrophobicContact CZ-CB 4.23Å; F640-F677 HydrophobicContact CZ-CB 4.08Å; F640-Q708 PolarHBondContact N-O 3.17Å; F640-C709 HydrophobicContact CB-CB 4.37Å; F640-M751 HydrophobicContact CB-CE 3.7Å; F640-M751 HydrophobicContact CD1-CE 3.91Å; F640-M751 HydrophobicContact CD2-CE 3.65Å; F640-M751 HydrophobicContact CD2-SD 4.04Å; F640-M751 HydrophobicContact CE1-CE 4.45Å; F640-M751 HydrophobicContact CE2-CE 4.23Å; F640-M751 HydrophobicContact CE2-SD 4.05Å; F640-M751 HydrophobicContact CG-CE 3.47Å; F640-M751 VanDerWaalsContact CG-CE 3.47Å; F640-M751 HydrophobicContact CG-SD 4.34Å; F640-M751 HydrophobicContact CZ-SD 4.35Å; F640-L754 HydrophobicContact CB-CD1 4.38Å; F640-L754 HydrophobicContact CD1-CD1 4.09Å
641	D	90	Very high	91.1	Very high	10 Å²	10	17.4 Å²	17.4	5%	0.053	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-43.9	179.1	171.6	70.5	0	0	0	112.4	S637 G639 H643 V644 T645 Y669 Y718 Q783	S637-D641 PolarHBondContact OG-OD2 2.76Å; G639-D641 PolarHBondContact O-N 2.93Å; D641-H643 VanDerWaalsContact C-N 3.33Å; D641-H643 PolarHBondContact O-N 3.42Å; D641-V644 PolarHBondContact O-N 3.11Å; D641-T645 WeakPolarHBondContact O-CB 3.15Å; D641-T645 PolarHBondContact O-N 2.71Å; D641-T645 PolarHBondContact O-OG1 3.22Å; D641-Y669 PolarHBondContact OD1-OH 3.12Å; D641-Y669 VanDerWaalsContact OD1-OH 3.06Å; D641-Y718 PolarHBondContact OD1-OH 2.81Å; D641-Y718 VanDerWaalsContact OD1-OH 3.14Å; D641-Y718 PolarHBondContact OD2-OH 3.41Å; D641-Q783 PolarHBondContact OD2-NE2 2.61Å
642	A	92	Very high	90.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.2	-32.1	176.8	0	0	0	0	0	113.1	G639 F640 L646 P781 M782 Q783	G639-A642 PolarHBondContact O-N 3.43Å; F640-A642 PolarHBondContact O-N 3.19Å; A642-L646 WeakPolarHBondContact O-CB 2.96Å; A642-L646 PolarHBondContact O-N 3.14Å; A642-P781 HydrophobicContact CB-CB 4.17Å; A642-P781 WeakPolarHBondContact CB-O 3.46Å; A642-M782 VanDerWaalsContact CB-CA 3.44Å; A642-Q783 HydrophobicContact CB-CB 4.22Å; A642-Q783 HydrophobicContact CB-CG 3.92Å
643	H	90.1	Very high	89.9	Confident	57 Å²	57	27.8 Å²	27.8	26%	0.264	14%	0.136	S	C	.	.	H	α-helix	trans	-67.2	-47.6	174.9	-179	48.4	0	0	0	111.6	G639 F640 D641 T645 L646 G647 S681 P781	G639-H643 PolarHBondContact O-N 2.78Å; F640-H643 WeakPolarHBondContact O-CB 3.19Å; F640-H643 PolarHBondContact O-N 2.96Å; F640-H643 VanDerWaalsContact O-N 3.16Å; D641-H643 VanDerWaalsContact C-N 3.33Å; D641-H643 PolarHBondContact O-N 3.42Å; H643-T645 VanDerWaalsContact C-N 3.32Å; H643-T645 PolarHBondContact O-N 2.94Å; H643-L646 WeakPolarHBondContact O-CB 3.37Å; H643-L646 PolarHBondContact O-N 3.49Å; H643-G647 PolarHBondContact O-N 3.44Å; H643-S681 PolarHBondContact CD2-OG 2.99Å; H643-S681 PolarHBondContact NE2-OG 3.07Å; H643-P781 HydrophobicContact CB-CB 4.12Å; H643-P781 HydrophobicContact CB-CG 4.13Å
644	V	88.9	Confident	89.3	Confident	3 Å²	3	31 Å²	31	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-42.5	173.4	171.9	0	0	0	0	110.9	F640 D641 L646 G647 F648 Y669 T672 A673 D676	F640-V644 HydrophobicContact CD1-CG2 4.17Å; F640-V644 HydrophobicContact CE1-CG2 3.77Å; F640-V644 HydrophobicContact CZ-CG2 3.99Å; F640-V644 WeakPolarHBondContact O-CG2 3.35Å; F640-V644 PolarHBondContact O-N 3.09Å; D641-V644 PolarHBondContact O-N 3.11Å; V644-L646 VanDerWaalsContact C-N 3.32Å; V644-L646 PolarHBondContact O-N 2.74Å; V644-G647 PolarHBondContact O-N 3.32Å; V644-F648 WeakPolarHBondContact O-CB 3.35Å; V644-F648 PolarHBondContact O-N 3.39Å; V644-Y669 HydrophobicContact CG1-CD1 4.45Å; V644-Y669 HydrophobicContact CG1-CD2 4.49Å; V644-Y669 HydrophobicContact CG1-CE1 4.13Å; V644-Y669 HydrophobicContact CG1-CE2 4.17Å; V644-T672 HydrophobicContact CG1-CG2 4.11Å; V644-A673 HydrophobicContact CG1-CB 3.9Å; V644-A673 HydrophobicContact CG2-CB 4.3Å; V644-D676 HydrophobicContact CG2-CB 4.3Å
645	T	89.8	Confident	88.6	Confident	8 Å²	8	33.9 Å²	33.9	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-39.7	176.3	-56.9	0	0	0	0	111.5	D641 H643 F648 H649 Y669 Q783 P788	D641-T645 WeakPolarHBondContact O-CB 3.15Å; D641-T645 PolarHBondContact O-N 2.71Å; D641-T645 PolarHBondContact O-OG1 3.22Å; H643-T645 VanDerWaalsContact C-N 3.32Å; H643-T645 PolarHBondContact O-N 2.94Å; T645-F648 PolarHBondContact O-N 3.4Å; T645-H649 PolarHBondContact O-N 2.77Å; T645-Y669 PolarHBondContact OG1-OH 3.22Å; T645-Y669 VanDerWaalsContact OG1-OH 3.11Å; T645-Q783 HydrophobicContact CG2-CB 4.15Å; T645-Q783 HydrophobicContact CG2-CG 4.22Å; T645-P788 HydrophobicContact CG2-CB 3.91Å; T645-P788 HydrophobicContact CG2-CG 3.89Å
646	L	89.3	Confident	87.8	Confident	26 Å²	26	36.8 Å²	36.8	14%	0.136	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-51.8	176.4	-175.4	61	0	0	0	111.7	A642 H643 V644 F648 H649 E650 P788 K790	A642-L646 WeakPolarHBondContact O-CB 2.96Å; A642-L646 PolarHBondContact O-N 3.14Å; H643-L646 WeakPolarHBondContact O-CB 3.37Å; H643-L646 PolarHBondContact O-N 3.49Å; V644-L646 VanDerWaalsContact C-N 3.32Å; V644-L646 PolarHBondContact O-N 2.74Å; L646-F648 VanDerWaalsContact C-N 3.27Å; L646-F648 PolarHBondContact O-N 3.48Å; L646-H649 WeakPolarHBondContact O-CA 3.42Å; L646-H649 WeakPolarHBondContact O-CB 3.45Å; L646-H649 PolarHBondContact O-N 2.93Å; L646-E650 HydrophobicContact CD1-CG 4.41Å; L646-E650 WeakPolarHBondContact O-CG 3.33Å; L646-E650 PolarHBondContact O-N 2.69Å; L646-P788 HydrophobicContact CB-CB 4.01Å; L646-P788 HydrophobicContact CB-CG 4.39Å; L646-P788 HydrophobicContact CD1-CB 4.15Å; L646-P788 HydrophobicContact CD1-CG 4.17Å; L646-K790 HydrophobicContact CD2-CB 4.33Å
647	G	87.2	Confident	86.8	Confident	19 Å²	19	44.7 Å²	44.7	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-34.6	177.1	0	0	0	0	0	113.2	H643 V644 S651	H643-G647 PolarHBondContact O-N 3.44Å; V644-G647 PolarHBondContact O-N 3.32Å; G647-S651 VanDerWaalsContact O-CB 3.27Å; G647-S651 WeakPolarHBondContact O-CB 3.22Å; G647-S651 PolarHBondContact O-N 2.76Å; G647-S651 VanDerWaalsContact O-N 3.12Å; G647-S651 PolarHBondContact O-OG 2.83Å
648	F	85.4	Confident	85.7	Confident	24 Å²	24	50.1 Å²	50.1	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-43.8	169.5	177.7	-87.8	0	0	0	112.2	V644 T645 L646 R652 F659 N665 F668 Y669	V644-F648 WeakPolarHBondContact O-CB 3.35Å; V644-F648 PolarHBondContact O-N 3.39Å; T645-F648 PolarHBondContact O-N 3.4Å; L646-F648 VanDerWaalsContact C-N 3.27Å; L646-F648 PolarHBondContact O-N 3.48Å; F648-R652 VanDerWaalsContact O-CB 3.24Å; F648-R652 WeakPolarHBondContact O-CB 3.3Å; F648-R652 PolarHBondContact O-N 3.15Å; F648-F659 HydrophobicContact CD2-CE1 4.26Å; F648-F659 HydrophobicContact CE2-CD1 4.04Å; F648-F659 AromaticContact CE2-CE1 3.72Å; F648-F659 HydrophobicContact CE2-CE1 3.72Å; F648-F659 AromaticContact CZ-CD1 3.96Å; F648-F659 HydrophobicContact CZ-CD1 3.96Å; F648-F659 HydrophobicContact CZ-CE1 4.06Å; F648-N665 WeakPolarHBondContact CE2-O 3.33Å; F648-N665 HydrophobicContact CZ-CB 4.31Å; F648-F668 AromaticContact CD2-CD1 3.83Å; F648-F668 HydrophobicContact CD2-CD1 3.83Å; F648-F668 HydrophobicContact CE2-CB 4.34Å; F648-F668 HydrophobicContact CE2-CD1 4.31Å; F648-Y669 HydrophobicContact CB-CD2 4.03Å; F648-Y669 HydrophobicContact CD1-CD2 4.44Å; F648-Y669 AromaticContact CD2-CD2 3.83Å; F648-Y669 HydrophobicContact CD2-CD2 3.83Å; F648-Y669 HydrophobicContact CD2-CG 4.38Å; F648-Y669 HydrophobicContact CE2-CD2 4.48Å; F648-Y669 AromaticContact CG-CD2 3.84Å; F648-Y669 HydrophobicContact CG-CD2 3.84Å
649	H	86.2	Confident	84.5	Confident	34 Å²	34	51.2 Å²	51.2	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-46.6	179.8	-170.9	-10	0	0	0	112.2	T645 L646 S651 R652 E653 E787 P788	T645-H649 PolarHBondContact O-N 2.77Å; L646-H649 WeakPolarHBondContact O-CA 3.42Å; L646-H649 WeakPolarHBondContact O-CB 3.45Å; L646-H649 PolarHBondContact O-N 2.93Å; H649-S651 VanDerWaalsContact C-N 3.32Å; H649-S651 PolarHBondContact O-N 3.33Å; H649-R652 PolarHBondContact CE1-NH2 3.26Å; H649-R652 PolarHBondContact ND1-NH2 2.83Å; H649-R652 PolarHBondContact NE2-NH2 3.06Å; H649-R652 WeakPolarHBondContact O-CB 3.34Å; H649-R652 PolarHBondContact O-N 3.1Å; H649-R652 VanDerWaalsContact O-N 3.12Å; H649-E653 VanDerWaalsContact CE1-CG 3.49Å; H649-E653 WeakPolarHBondContact CE1-CG 3.46Å; H649-E653 IonicContact CE1-OE1 2.77Å; H649-E653 PolarHBondContact CE1-OE1 3.46Å; H649-E653 IonicContact CE1-OE2 3.97Å; H649-E653 PolarHBondContact O-N 3.38Å; H649-E787 IonicContact NE2-OE2 3.85Å; H649-P788 HydrophobicContact CB-CG 3.62Å
650	E	87.6	Confident	83.3	Confident	98 Å²	98	55.5 Å²	55.5	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-45.1	178	-68.5	171.8	173.4	0	0	110.6	L646 R652 E653 A654	L646-E650 HydrophobicContact CD1-CG 4.41Å; L646-E650 WeakPolarHBondContact O-CG 3.33Å; L646-E650 PolarHBondContact O-N 2.69Å; E650-R652 VanDerWaalsContact C-N 3.32Å; E650-R652 PolarHBondContact O-N 3.45Å; E650-E653 PolarHBondContact O-N 3.31Å; E650-A654 WeakPolarHBondContact O-CB 3.29Å; E650-A654 PolarHBondContact O-N 2.73Å
651	S	84.4	Confident	82.6	Confident	35 Å²	35	56.9 Å²	56.9	25%	0.245	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-39.3	174.7	-62.1	0	0	0	0	112.8	G647 H649 N655 F659 F668	G647-S651 VanDerWaalsContact O-CB 3.27Å; G647-S651 WeakPolarHBondContact O-CB 3.22Å; G647-S651 PolarHBondContact O-N 2.76Å; G647-S651 VanDerWaalsContact O-N 3.12Å; G647-S651 PolarHBondContact O-OG 2.83Å; H649-S651 VanDerWaalsContact C-N 3.32Å; H649-S651 PolarHBondContact O-N 3.33Å; S651-N655 PolarHBondContact O-N 2.92Å; S651-N655 VanDerWaalsContact O-N 3.11Å; S651-F659 VanDerWaalsContact O-CE2 3.28Å; S651-F659 WeakPolarHBondContact O-CE2 3.32Å; S651-F668 VanDerWaalsContact CB-CE1 3.4Å; S651-F668 WeakPolarHBondContact OG-CE1 3.45Å; S651-F668 WeakPolarHBondContact OG-CZ 3.29Å
652	R	81.8	Confident	81.9	Confident	80 Å²	80	59.6 Å²	59.6	30%	0.302	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-36.2	177.3	178.3	-176.5	71.4	171.6	2.4	112.5	F648 H649 E650 P656 F659 E787	F648-R652 VanDerWaalsContact O-CB 3.24Å; F648-R652 WeakPolarHBondContact O-CB 3.3Å; F648-R652 PolarHBondContact O-N 3.15Å; H649-R652 PolarHBondContact CE1-NH2 3.26Å; H649-R652 PolarHBondContact ND1-NH2 2.83Å; H649-R652 PolarHBondContact NE2-NH2 3.06Å; H649-R652 WeakPolarHBondContact O-CB 3.34Å; H649-R652 PolarHBondContact O-N 3.1Å; H649-R652 VanDerWaalsContact O-N 3.12Å; E650-R652 VanDerWaalsContact C-N 3.32Å; E650-R652 PolarHBondContact O-N 3.45Å; R652-P656 WeakPolarHBondContact O-CA 3.28Å; R652-F659 HydrophobicContact CB-CD1 4.26Å; R652-F659 HydrophobicContact CB-CD2 4.27Å; R652-F659 HydrophobicContact CB-CE1 4.36Å; R652-F659 HydrophobicContact CB-CE2 4.4Å; R652-F659 HydrophobicContact CB-CG 4.22Å; R652-F659 HydrophobicContact CB-CZ 4.44Å; R652-F659 HydrophobicContact CG-CB 4.36Å; R652-F659 HydrophobicContact CG-CD1 4.45Å; R652-F659 HydrophobicContact CG-CG 4.19Å; R652-E787 IonicContact NH2-OE2 3.83Å; R652-E787 PolarHBondContact NH2-OE2 3.39Å
653	E	81.6	Confident	81	Confident	139 Å²	139	66 Å²	66	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-77.5	-38.6	175.7	-68.2	-162.4	135.2	0	0	112.9	H649 E650 N655 P656	H649-E653 VanDerWaalsContact CE1-CG 3.49Å; H649-E653 WeakPolarHBondContact CE1-CG 3.46Å; H649-E653 IonicContact CE1-OE1 2.77Å; H649-E653 PolarHBondContact CE1-OE1 3.46Å; H649-E653 IonicContact CE1-OE2 3.97Å; H649-E653 PolarHBondContact O-N 3.38Å; E650-E653 PolarHBondContact O-N 3.31Å; E653-N655 VanDerWaalsContact C-N 3.29Å; E653-N655 PolarHBondContact O-N 3.43Å; E653-P656 WeakPolarHBondContact O-CD 3.47Å
654	A	84.3	Confident	80.3	Confident	73 Å²	73	68.8 Å²	68.8	60%	0.603	35%	0.346	S	S	*	.	H	α-helix	trans	-67.4	-28.1	177.4	0	0	0	0	0	113.1	E650	E650-A654 WeakPolarHBondContact O-CB 3.29Å; E650-A654 PolarHBondContact O-N 2.73Å
655	N	80.1	Confident	79.9	Confident	63 Å²	63	69.6 Å²	69.6	34%	0.337	35%	0.35	S	S	.	.			trans	-140.1	53.2	-171.8	-68.6	-102.6	0	0	0	114.4	S651 E653 E657 K658 F659	S651-N655 PolarHBondContact O-N 2.92Å; S651-N655 VanDerWaalsContact O-N 3.11Å; E653-N655 VanDerWaalsContact C-N 3.29Å; E653-N655 PolarHBondContact O-N 3.43Å; N655-E657 VanDerWaalsContact C-N 3.25Å; N655-E657 PolarHBondContact O-N 2.84Å; N655-K658 HydrophobicContact CB-CB 4.32Å; N655-K658 HydrophobicContact CB-CD 3.79Å; N655-K658 HydrophobicContact CB-CG 4.09Å; N655-K658 WeakPolarHBondContact O-CB 3.45Å; N655-K658 PolarHBondContact O-N 3.31Å; N655-K658 VanDerWaalsContact OD1-CE 3.27Å; N655-K658 WeakPolarHBondContact OD1-CE 3.03Å; N655-K658 PolarHBondContact OD1-NZ 2.85Å; N655-F659 HydrophobicContact CB-CE2 4.37Å; N655-F659 WeakPolarHBondContact O-CD2 3.3Å
656	P	77.3	Confident	79.3	Confident	89 Å²	89	74.4 Å²	74.4	58%	0.578	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-57.1	-29.6	-167.2	21.3	-34.2	0	0	0	115.2	R652 E653 K658 F659	R652-P656 WeakPolarHBondContact O-CA 3.28Å; E653-P656 WeakPolarHBondContact O-CD 3.47Å; P656-K658 VanDerWaalsContact C-N 3.29Å; P656-K658 PolarHBondContact O-N 2.85Å; P656-F659 PolarHBondContact O-N 3.17Å
657	E	76.1	Confident	78.8	Confident	167 Å²	167	78.8 Å²	78.8	78%	0.78	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-68.1	-24.1	176.6	-60.1	-160.1	160.1	0	0	113.9	N655 F659 N660	N655-E657 VanDerWaalsContact C-N 3.25Å; N655-E657 PolarHBondContact O-N 2.84Å; E657-F659 VanDerWaalsContact C-N 3.28Å; E657-F659 PolarHBondContact O-N 3.19Å; E657-N660 VanDerWaalsContact O-CG 3.26Å; E657-N660 PolarHBondContact O-ND2 3.42Å
658	K	71.6	Confident	78.3	Confident	114 Å²	114	81.8 Å²	81.8	50%	0.496	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-71.6	-24.3	175.2	-63.8	-177.3	-174.9	160	0	112	N655 P656 N660 R664	N655-K658 HydrophobicContact CB-CB 4.32Å; N655-K658 HydrophobicContact CB-CD 3.79Å; N655-K658 HydrophobicContact CB-CG 4.09Å; N655-K658 WeakPolarHBondContact O-CB 3.45Å; N655-K658 PolarHBondContact O-N 3.31Å; N655-K658 VanDerWaalsContact OD1-CE 3.27Å; N655-K658 WeakPolarHBondContact OD1-CE 3.03Å; N655-K658 PolarHBondContact OD1-NZ 2.85Å; P656-K658 VanDerWaalsContact C-N 3.29Å; P656-K658 PolarHBondContact O-N 2.85Å; K658-N660 VanDerWaalsContact C-N 3.33Å; K658-N660 PolarHBondContact O-N 3.47Å; K658-R664 PolarHBondContact O-NH1 3.32Å; K658-R664 VanDerWaalsContact O-NH1 3.07Å
659	F	69.3	Low	78	Confident	23 Å²	23	83.5 Å²	83.5	10%	0.101	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-96.3	25.4	-173.5	-66.1	-94.4	0	0	0	114	F648 S651 R652 N655 P656 E657 S661 N665 F668	F648-F659 HydrophobicContact CD2-CE1 4.26Å; F648-F659 HydrophobicContact CE2-CD1 4.04Å; F648-F659 AromaticContact CE2-CE1 3.72Å; F648-F659 HydrophobicContact CE2-CE1 3.72Å; F648-F659 AromaticContact CZ-CD1 3.96Å; F648-F659 HydrophobicContact CZ-CD1 3.96Å; F648-F659 HydrophobicContact CZ-CE1 4.06Å; S651-F659 VanDerWaalsContact O-CE2 3.28Å; S651-F659 WeakPolarHBondContact O-CE2 3.32Å; R652-F659 HydrophobicContact CB-CD1 4.26Å; R652-F659 HydrophobicContact CB-CD2 4.27Å; R652-F659 HydrophobicContact CB-CE1 4.36Å; R652-F659 HydrophobicContact CB-CE2 4.4Å; R652-F659 HydrophobicContact CB-CG 4.22Å; R652-F659 HydrophobicContact CB-CZ 4.44Å; R652-F659 HydrophobicContact CG-CB 4.36Å; R652-F659 HydrophobicContact CG-CD1 4.45Å; R652-F659 HydrophobicContact CG-CG 4.19Å; N655-F659 HydrophobicContact CB-CE2 4.37Å; N655-F659 WeakPolarHBondContact O-CD2 3.3Å; P656-F659 PolarHBondContact O-N 3.17Å; E657-F659 VanDerWaalsContact C-N 3.28Å; E657-F659 PolarHBondContact O-N 3.19Å; F659-S661 VanDerWaalsContact C-N 3.33Å; F659-S661 PolarHBondContact O-N 3.44Å; F659-N665 WeakPolarHBondContact CA-OD1 3.43Å; F659-N665 WeakPolarHBondContact CB-OD1 3.46Å; F659-N665 WeakPolarHBondContact CD1-OD1 3.29Å; F659-N665 PolarHBondContact O-ND2 2.88Å; F659-N665 PolarHBondContact O-OD1 2.82Å; F659-N665 VanDerWaalsContact O-OD1 3.13Å; F659-F668 HydrophobicContact CE1-CB 3.97Å; F659-F668 AromaticContact CE1-CD1 3.79Å; F659-F668 HydrophobicContact CE1-CD1 3.79Å; F659-F668 HydrophobicContact CE1-CD2 4.19Å; F659-F668 HydrophobicContact CE1-CE1 4.37Å; F659-F668 AromaticContact CE1-CG 3.69Å; F659-F668 HydrophobicContact CE1-CG 3.69Å; F659-F668 AromaticContact CZ-CD1 3.86Å; F659-F668 HydrophobicContact CZ-CD1 3.86Å; F659-F668 AromaticContact CZ-CD2 3.88Å; F659-F668 HydrophobicContact CZ-CD2 3.88Å; F659-F668 HydrophobicContact CZ-CE1 4.01Å; F659-F668 HydrophobicContact CZ-CE2 4.03Å; F659-F668 AromaticContact CZ-CG 3.8Å; F659-F668 HydrophobicContact CZ-CG 3.8Å; F659-F668 HydrophobicContact CZ-CZ 4.1Å
660	N	67.6	Low	77.6	Confident	90 Å²	90	84.7 Å²	84.7	48%	0.481	42%	0.421	S	S	.	.			trans	-80.3	-1	-174.3	67.2	-0.2	0	0	0	115.4	G491 E657 K658 R664	G491-N660 WeakPolarHBondContact CA-O 3.41Å; E657-N660 VanDerWaalsContact O-CG 3.26Å; E657-N660 PolarHBondContact O-ND2 3.42Å; K658-N660 VanDerWaalsContact C-N 3.33Å; K658-N660 PolarHBondContact O-N 3.47Å; N660-R664 PolarHBondContact OD1-NH1 2.97Å
661	S	74.6	Confident	77.1	Confident	42 Å²	42	82 Å²	82	29%	0.294	42%	0.42	S	S	.	.	S	Bend	trans	-134.4	135.3	-176.8	172.1	0	0	0	0	112	F659 F663 R664 N665	F659-S661 VanDerWaalsContact C-N 3.33Å; F659-S661 PolarHBondContact O-N 3.44Å; S661-F663 PolarHBondContact O-N 3.08Å; S661-F663 PolarHBondContact OG-N 3.42Å; S661-R664 PolarHBondContact O-N 2.82Å; S661-N665 WeakPolarHBondContact O-CB 3.42Å; S661-N665 PolarHBondContact O-N 2.94Å; S661-N665 PolarHBondContact O-ND2 3.42Å; S661-N665 PolarHBondContact O-OD1 3.33Å
662	R	74.4	Confident	76.8	Confident	67 Å²	67	81.3 Å²	81.3	25%	0.253	41%	0.414	S	S	.	.	H	α-helix	trans	-54.8	-40	177.4	-64	-170.4	-64.7	-151.9	2.3	112	G566 Y581 N665 K666	G566-R662 VanDerWaalsContact O-CD 3.24Å; G566-R662 WeakPolarHBondContact O-CD 3.35Å; Y581-R662 PolarHBondContact O-NH1 3.08Å; Y581-R662 PolarHBondContact O-NH2 2.94Å; R662-N665 PolarHBondContact O-N 3.27Å; R662-K666 PolarHBondContact O-N 3.03Å
663	F	73.4	Confident	76.5	Confident	134 Å²	134	78.8 Å²	78.8	59%	0.588	41%	0.41	S	S	*	.	H	α-helix	trans	-67.5	-49.8	180	-177.1	-98.2	0	0	0	111.9	S661 N665 K666 M667	S661-F663 PolarHBondContact O-N 3.08Å; S661-F663 PolarHBondContact OG-N 3.42Å; F663-N665 PolarHBondContact O-N 3.49Å; F663-K666 PolarHBondContact O-N 3.49Å; F663-K666 VanDerWaalsContact O-N 3.14Å; F663-M667 HydrophobicContact CD1-SD 4.09Å; F663-M667 HydrophobicContact CE1-CE 3.68Å; F663-M667 HydrophobicContact CE1-CG 4.22Å; F663-M667 HydrophobicContact CE1-SD 3.4Å; F663-M667 WeakPolarHBondContact CE1-SD 3.49Å; F663-M667 HydrophobicContact CZ-CE 3.54Å; F663-M667 HydrophobicContact CZ-CG 4.44Å; F663-M667 HydrophobicContact CZ-SD 3.87Å; F663-M667 PolarHBondContact O-N 3.27Å
664	R	76.1	Confident	76.2	Confident	117 Å²	117	78.7 Å²	78.7	44%	0.442	41%	0.408	S	S	.	.	H	α-helix	trans	-59.3	-37.3	176	-62.9	177.7	73.6	-163	7.5	111.7	K658 N660 S661 M667 F668	K658-R664 PolarHBondContact O-NH1 3.32Å; K658-R664 VanDerWaalsContact O-NH1 3.07Å; N660-R664 PolarHBondContact OD1-NH1 2.97Å; S661-R664 PolarHBondContact O-N 2.82Å; R664-M667 PolarHBondContact O-N 2.93Å; R664-F668 WeakPolarHBondContact O-CB 3.1Å; R664-F668 PolarHBondContact O-N 3.38Å
665	N	79.3	Confident	75.8	Confident	20 Å²	20	78.6 Å²	78.6	11%	0.107	40%	0.403	C	S	.	.	H	α-helix	trans	-67.1	-41.3	177.4	-64	-5.4	0	0	0	111.7	T567 F648 F659 S661 R662 F663 Y669	T567-N665 HydrophobicContact CG2-CB 3.9Å; F648-N665 WeakPolarHBondContact CE2-O 3.33Å; F648-N665 HydrophobicContact CZ-CB 4.31Å; F659-N665 WeakPolarHBondContact CA-OD1 3.43Å; F659-N665 WeakPolarHBondContact CB-OD1 3.46Å; F659-N665 WeakPolarHBondContact CD1-OD1 3.29Å; F659-N665 PolarHBondContact O-ND2 2.88Å; F659-N665 PolarHBondContact O-OD1 2.82Å; F659-N665 VanDerWaalsContact O-OD1 3.13Å; S661-N665 WeakPolarHBondContact O-CB 3.42Å; S661-N665 PolarHBondContact O-N 2.94Å; S661-N665 PolarHBondContact O-ND2 3.42Å; S661-N665 PolarHBondContact O-OD1 3.33Å; R662-N665 PolarHBondContact O-N 3.27Å; F663-N665 PolarHBondContact O-N 3.49Å; N665-Y669 PolarHBondContact O-N 3.4Å; N665-Y669 VanDerWaalsContact O-N 3.14Å
666	K	78.9	Confident	75.6	Confident	109 Å²	109	76.9 Å²	76.9	47%	0.474	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-48.2	171.8	-75.5	-171	173.9	-169	0	111.9	T567 R662 F663 F668 Y669 A670	T567-K666 HydrophobicContact CG2-CG 3.77Å; R662-K666 PolarHBondContact O-N 3.03Å; F663-K666 PolarHBondContact O-N 3.49Å; F663-K666 VanDerWaalsContact O-N 3.14Å; K666-F668 VanDerWaalsContact C-N 3.34Å; K666-F668 PolarHBondContact O-N 3.26Å; K666-Y669 PolarHBondContact O-N 3.43Å; K666-A670 PolarHBondContact O-N 2.97Å
667	M	76.9	Confident	75.4	Confident	118 Å²	118	76.9 Å²	76.9	58%	0.581	39%	0.385	S	S	*	.	H	α-helix	trans	-60.2	-41.1	178.7	-84.1	-170.9	154.1	0	0	112.7	F663 R664 A670 G671	F663-M667 HydrophobicContact CD1-SD 4.09Å; F663-M667 HydrophobicContact CE1-CE 3.68Å; F663-M667 HydrophobicContact CE1-CG 4.22Å; F663-M667 HydrophobicContact CE1-SD 3.4Å; F663-M667 WeakPolarHBondContact CE1-SD 3.49Å; F663-M667 HydrophobicContact CZ-CE 3.54Å; F663-M667 HydrophobicContact CZ-CG 4.44Å; F663-M667 HydrophobicContact CZ-SD 3.87Å; F663-M667 PolarHBondContact O-N 3.27Å; R664-M667 PolarHBondContact O-N 2.93Å; M667-A670 PolarHBondContact O-N 3.18Å; M667-G671 PolarHBondContact O-N 3.13Å
668	F	76.9	Confident	75	Confident	82 Å²	82	74.8 Å²	74.8	36%	0.36	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-44.2	177	-163.7	-79.1	0	0	0	111.5	F648 S651 F659 R664 K666 A670 G671 T672	F648-F668 AromaticContact CD2-CD1 3.83Å; F648-F668 HydrophobicContact CD2-CD1 3.83Å; F648-F668 HydrophobicContact CE2-CB 4.34Å; F648-F668 HydrophobicContact CE2-CD1 4.31Å; S651-F668 VanDerWaalsContact CB-CE1 3.4Å; S651-F668 WeakPolarHBondContact OG-CE1 3.45Å; S651-F668 WeakPolarHBondContact OG-CZ 3.29Å; F659-F668 HydrophobicContact CE1-CB 3.97Å; F659-F668 AromaticContact CE1-CD1 3.79Å; F659-F668 HydrophobicContact CE1-CD1 3.79Å; F659-F668 HydrophobicContact CE1-CD2 4.19Å; F659-F668 HydrophobicContact CE1-CE1 4.37Å; F659-F668 AromaticContact CE1-CG 3.69Å; F659-F668 HydrophobicContact CE1-CG 3.69Å; F659-F668 AromaticContact CZ-CD1 3.86Å; F659-F668 HydrophobicContact CZ-CD1 3.86Å; F659-F668 AromaticContact CZ-CD2 3.88Å; F659-F668 HydrophobicContact CZ-CD2 3.88Å; F659-F668 HydrophobicContact CZ-CE1 4.01Å; F659-F668 HydrophobicContact CZ-CE2 4.03Å; F659-F668 AromaticContact CZ-CG 3.8Å; F659-F668 HydrophobicContact CZ-CG 3.8Å; F659-F668 HydrophobicContact CZ-CZ 4.1Å; R664-F668 WeakPolarHBondContact O-CB 3.1Å; R664-F668 PolarHBondContact O-N 3.38Å; K666-F668 VanDerWaalsContact C-N 3.34Å; K666-F668 PolarHBondContact O-N 3.26Å; F668-A670 PolarHBondContact O-N 3.35Å; F668-G671 PolarHBondContact O-N 3.39Å; F668-T672 WeakPolarHBondContact CE1-OG1 3.24Å; F668-T672 PolarHBondContact O-N 2.97Å; F668-T672 PolarHBondContact O-OG1 3.48Å
669	Y	78.9	Confident	74.5	Confident	60 Å²	60	72.6 Å²	72.6	24%	0.235	38%	0.377	C	S	.	.	H	α-helix	trans	-59.3	-44.7	176.1	-166.1	-88.8	0	0	0	112	D641 V644 T645 F648 N665 K666 A673	D641-Y669 PolarHBondContact OD1-OH 3.12Å; D641-Y669 VanDerWaalsContact OD1-OH 3.06Å; V644-Y669 HydrophobicContact CG1-CD1 4.45Å; V644-Y669 HydrophobicContact CG1-CD2 4.49Å; V644-Y669 HydrophobicContact CG1-CE1 4.13Å; V644-Y669 HydrophobicContact CG1-CE2 4.17Å; T645-Y669 PolarHBondContact OG1-OH 3.22Å; T645-Y669 VanDerWaalsContact OG1-OH 3.11Å; F648-Y669 HydrophobicContact CB-CD2 4.03Å; F648-Y669 HydrophobicContact CD1-CD2 4.44Å; F648-Y669 AromaticContact CD2-CD2 3.83Å; F648-Y669 HydrophobicContact CD2-CD2 3.83Å; F648-Y669 HydrophobicContact CD2-CG 4.38Å; F648-Y669 HydrophobicContact CE2-CD2 4.48Å; F648-Y669 AromaticContact CG-CD2 3.84Å; F648-Y669 HydrophobicContact CG-CD2 3.84Å; N665-Y669 PolarHBondContact O-N 3.4Å; N665-Y669 VanDerWaalsContact O-N 3.14Å; K666-Y669 PolarHBondContact O-N 3.43Å; Y669-A673 WeakPolarHBondContact O-CB 3.1Å; Y669-A673 PolarHBondContact O-N 3.24Å
670	A	77.9	Confident	74.1	Confident	58 Å²	58	72.1 Å²	72.1	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-38.8	176	0	0	0	0	0	112.7	K666 M667 F668 A673 F674	K666-A670 PolarHBondContact O-N 2.97Å; M667-A670 PolarHBondContact O-N 3.18Å; F668-A670 PolarHBondContact O-N 3.35Å; A670-A673 PolarHBondContact O-N 3.05Å; A670-F674 WeakPolarHBondContact O-CB 3.5Å; A670-F674 PolarHBondContact O-N 3.43Å
671	G	78.1	Confident	73.5	Confident	42 Å²	42	70.9 Å²	70.9	43%	0.433	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-44.8	176.5	0	0	0	0	0	113.1	M667 F668 F674 S675	M667-G671 PolarHBondContact O-N 3.13Å; F668-G671 PolarHBondContact O-N 3.39Å; G671-F674 PolarHBondContact O-N 3.43Å; G671-S675 WeakPolarHBondContact O-CB 3.42Å; G671-S675 PolarHBondContact O-N 3.28Å
672	T	77.1	Confident	72.8	Confident	21 Å²	21	69.8 Å²	69.8	13%	0.129	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-49	172	-57.8	0	0	0	0	110.6	V644 F668 F674 S675 D676	V644-T672 HydrophobicContact CG1-CG2 4.11Å; F668-T672 WeakPolarHBondContact CE1-OG1 3.24Å; F668-T672 PolarHBondContact O-N 2.97Å; F668-T672 PolarHBondContact O-OG1 3.48Å; T672-F674 VanDerWaalsContact C-N 3.31Å; T672-F674 PolarHBondContact O-N 2.97Å; T672-S675 PolarHBondContact O-N 3.25Å; T672-D676 WeakPolarHBondContact CG2-OD2 3.43Å; T672-D676 PolarHBondContact O-N 3.2Å
673	A	76.7	Confident	72.2	Confident	26 Å²	26	73.4 Å²	73.4	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-56	-43.4	177.9	0	0	0	0	0	112.9	V644 Y669 A670 F677	V644-A673 HydrophobicContact CG1-CB 3.9Å; V644-A673 HydrophobicContact CG2-CB 4.3Å; Y669-A673 WeakPolarHBondContact O-CB 3.1Å; Y669-A673 PolarHBondContact O-N 3.24Å; A670-A673 PolarHBondContact O-N 3.05Å; A673-F677 WeakPolarHBondContact O-CB 3.46Å; A673-F677 PolarHBondContact O-N 2.93Å
674	F	74.9	Confident	72.3	Confident	138 Å²	138	70.5 Å²	70.5	61%	0.605	38%	0.378	S	S	*	.	H	α-helix	trans	-70.4	-40.2	179.1	-172.7	-101.9	0	0	0	112.6	A670 G671 T672 F677 L678	A670-F674 WeakPolarHBondContact O-CB 3.5Å; A670-F674 PolarHBondContact O-N 3.43Å; G671-F674 PolarHBondContact O-N 3.43Å; T672-F674 VanDerWaalsContact C-N 3.31Å; T672-F674 PolarHBondContact O-N 2.97Å; F674-F677 PolarHBondContact O-N 2.88Å; F674-L678 HydrophobicContact CD1-CD1 4.09Å; F674-L678 HydrophobicContact CE1-CD1 3.6Å; F674-L678 HydrophobicContact CE1-CG 4.39Å; F674-L678 HydrophobicContact CZ-CD1 4.04Å; F674-L678 WeakPolarHBondContact O-CG 3.37Å; F674-L678 PolarHBondContact O-N 3.22Å; F674-L678 VanDerWaalsContact O-N 3.15Å
675	S	75.4	Confident	72.7	Confident	70 Å²	70	65.5 Å²	65.5	49%	0.49	36%	0.36	S	S	.	.	H	α-helix	trans	-59.2	-46.8	173.8	-179.9	0	0	0	0	111.9	G671 T672 L678 S679	G671-S675 WeakPolarHBondContact O-CB 3.42Å; G671-S675 PolarHBondContact O-N 3.28Å; T672-S675 PolarHBondContact O-N 3.25Å; S675-L678 PolarHBondContact O-N 3.45Å; S675-S679 PolarHBondContact O-N 3.14Å
676	D	76.1	Confident	73	Confident	28 Å²	28	64.9 Å²	64.9	15%	0.15	36%	0.357	C	S	.	.	H	α-helix	trans	-76.3	-26.2	-177.4	-63.8	-25.7	0	0	0	112.6	F640 V644 T672 S679 G680	F640-D676 HydrophobicContact CE2-CB 4.06Å; F640-D676 HydrophobicContact CZ-CB 4.23Å; V644-D676 HydrophobicContact CG2-CB 4.3Å; T672-D676 WeakPolarHBondContact CG2-OD2 3.43Å; T672-D676 PolarHBondContact O-N 3.2Å; D676-S679 WeakPolarHBondContact CA-OG 3.07Å; D676-S679 PolarHBondContact O-OG 3.44Å; D676-G680 PolarHBondContact O-N 3.14Å
677	F	73.1	Confident	73.4	Confident	89 Å²	89	66 Å²	66	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-41.8	169.5	-176	-90.3	0	0	0	111.4	F640 A673 F674 M751 A755	F640-F677 HydrophobicContact CZ-CB 4.08Å; A673-F677 WeakPolarHBondContact O-CB 3.46Å; A673-F677 PolarHBondContact O-N 2.93Å; F674-F677 PolarHBondContact O-N 2.88Å; F677-M751 HydrophobicContact CD2-SD 3.78Å; F677-M751 HydrophobicContact CE2-CB 3.94Å; F677-M751 HydrophobicContact CE2-CG 4.46Å; F677-M751 HydrophobicContact CE2-SD 4.09Å; F677-A755 HydrophobicContact CE2-CB 4.17Å; F677-A755 HydrophobicContact CZ-CB 4.45Å
678	L	67.8	Low	74	Confident	122 Å²	122	63.1 Å²	63.1	64%	0.639	35%	0.347	S	S	*	.	H	α-helix	trans	-72.8	-38.6	176	-67.9	177.2	0	0	0	112.9	F674 S675 G680	F674-L678 HydrophobicContact CD1-CD1 4.09Å; F674-L678 HydrophobicContact CE1-CD1 3.6Å; F674-L678 HydrophobicContact CE1-CG 4.39Å; F674-L678 HydrophobicContact CZ-CD1 4.04Å; F674-L678 WeakPolarHBondContact O-CG 3.37Å; F674-L678 PolarHBondContact O-N 3.22Å; F674-L678 VanDerWaalsContact O-N 3.15Å; S675-L678 PolarHBondContact O-N 3.45Å; L678-G680 VanDerWaalsContact C-N 3.3Å; L678-G680 PolarHBondContact O-N 2.93Å
679	S	60.4	Low	74.8	Confident	69 Å²	69	59.4 Å²	59.4	48%	0.483	33%	0.331	S	S	.	.	H	α-helix	trans	-68.8	-31.1	175.8	80	0	0	0	0	112.1	S675 D676	S675-S679 PolarHBondContact O-N 3.14Å; D676-S679 WeakPolarHBondContact CA-OG 3.07Å; D676-S679 PolarHBondContact O-OG 3.44Å
680	G	61.5	Low	75.6	Confident	12 Å²	12	60.3 Å²	60.3	12%	0.124	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	45.9	174.9	0	0	0	0	0	112.6	D676 L678 S682 K683	D676-G680 PolarHBondContact O-N 3.14Å; L678-G680 VanDerWaalsContact C-N 3.3Å; L678-G680 PolarHBondContact O-N 2.93Å; G680-S682 VanDerWaalsContact C-N 3.3Å; G680-S682 PolarHBondContact O-N 3.42Å; G680-K683 WeakPolarHBondContact O-CD 3.35Å; G680-K683 WeakPolarHBondContact O-CE 3.4Å; G680-K683 WeakPolarHBondContact O-CG 3.43Å; G680-K683 PolarHBondContact O-NZ 3.25Å; G680-K683 VanDerWaalsContact O-NZ 3.14Å
681	S	55.6	Low	76.5	Confident	65 Å²	65	57.6 Å²	57.6	46%	0.455	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.5	-172.4	63.8	0	0	0	0	115.4	H643	H643-S681 PolarHBondContact CD2-OG 2.99Å; H643-S681 PolarHBondContact NE2-OG 3.07Å
682	S	59.7	Low	77.4	Confident	19 Å²	19	57.2 Å²	57.2	13%	0.133	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	25.5	-169.4	-137.3	0	0	0	0	115.5	G680 D684	G680-S682 VanDerWaalsContact C-N 3.3Å; G680-S682 PolarHBondContact O-N 3.42Å; S682-D684 PolarHBondContact O-N 3.3Å
683	K	62.1	Low	78.3	Confident	142 Å²	142	56.2 Å²	56.2	62%	0.617	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.4	-170.4	-77.1	161.2	-177	143	0	116.6	G680	G680-K683 WeakPolarHBondContact O-CD 3.35Å; G680-K683 WeakPolarHBondContact O-CE 3.4Å; G680-K683 WeakPolarHBondContact O-CG 3.43Å; G680-K683 PolarHBondContact O-NZ 3.25Å; G680-K683 VanDerWaalsContact O-NZ 3.14Å
684	D	74.2	Confident	79.2	Confident	73 Å²	73	58.9 Å²	58.9	39%	0.39	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	16.1	-166.9	-97.5	5.3	0	0	0	115.9	S682 A686 K687 H688	S682-D684 PolarHBondContact O-N 3.3Å; D684-A686 PolarHBondContact O-N 2.76Å; D684-K687 HydrophobicContact CB-CD 4.33Å; D684-K687 PolarHBondContact O-N 2.84Å; D684-K687 WeakPolarHBondContact OD1-CE 3.24Å; D684-K687 IonicContact OD1-NZ 2.67Å; D684-K687 PolarHBondContact OD1-NZ 2.99Å; D684-K687 IonicContact OD2-NZ 3.79Å; D684-K687 PolarHBondContact OD2-NZ 3.29Å; D684-H688 PolarHBondContact O-ND1 3.17Å
685	L	85.1	Confident	80	Confident	12 Å²	12	55.6 Å²	55.6	6%	0.063	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-50.3	-52.5	-178.6	179.1	71	0	0	0	113	L638 K687 H688 I689 Q708 I780	L638-L685 HydrophobicContact CD1-CD1 4.38Å; L685-K687 PolarHBondContact O-N 3.07Å; L685-K687 VanDerWaalsContact O-N 3.09Å; L685-H688 PolarHBondContact O-N 3.38Å; L685-I689 HydrophobicContact CD1-CG2 4.37Å; L685-I689 HydrophobicContact CG-CD1 4.23Å; L685-Q708 WeakPolarHBondContact CD2-O 3.47Å; L685-I780 HydrophobicContact CD1-CD1 3.99Å; L685-I780 HydrophobicContact CD1-CG1 4.48Å; L685-I780 HydrophobicContact CD1-CG2 4.12Å
686	A	86.4	Confident	80.9	Confident	7 Å²	7	55.6 Å²	55.6	6%	0.058	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-58.6	-24.9	-173.8	0	0	0	0	0	114.7	D684 H688 V702 Q703	D684-A686 PolarHBondContact O-N 2.76Å; A686-H688 VanDerWaalsContact C-N 3.29Å; A686-H688 PolarHBondContact O-N 3.39Å; A686-V702 HydrophobicContact CB-CG1 3.9Å; A686-V702 WeakPolarHBondContact CB-O 3.48Å; A686-Q703 HydrophobicContact CB-CG 4.23Å; A686-Q703 WeakPolarHBondContact O-CG 3.28Å; A686-Q703 PolarHBondContact O-NE2 2.93Å
687	K	87.5	Confident	81.9	Confident	132 Å²	132	58.7 Å²	58.7	57%	0.574	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-73.5	-20.3	177.2	-61.7	178.1	-175	164.4	0	113.3	D684 L685	D684-K687 HydrophobicContact CB-CD 4.33Å; D684-K687 PolarHBondContact O-N 2.84Å; D684-K687 WeakPolarHBondContact OD1-CE 3.24Å; D684-K687 IonicContact OD1-NZ 2.67Å; D684-K687 PolarHBondContact OD1-NZ 2.99Å; D684-K687 IonicContact OD2-NZ 3.79Å; D684-K687 PolarHBondContact OD2-NZ 3.29Å; L685-K687 PolarHBondContact O-N 3.07Å; L685-K687 VanDerWaalsContact O-N 3.09Å
688	H	89.6	Confident	82.9	Confident	59 Å²	59	55.2 Å²	55.2	27%	0.273	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-111.1	8.8	-168	-60.9	94.8	0	0	0	113.6	D684 L685 A686 F777 K778 I780	D684-H688 PolarHBondContact O-ND1 3.17Å; L685-H688 PolarHBondContact O-N 3.38Å; A686-H688 VanDerWaalsContact C-N 3.29Å; A686-H688 PolarHBondContact O-N 3.39Å; H688-F777 PolarHBondContact O-N 3.39Å; H688-K778 HydrophobicContact CB-CB 4.16Å; H688-I780 HydrophobicContact CB-CD1 4.4Å
689	I	93.6	Very high	84.1	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.6	-179.5	65.1	177.1	0	0	0	111.9	L638 L685 V691 T699 V702 L710 L774 T775 T776 I780	L638-I689 HydrophobicContact CD1-CG2 4.14Å; L685-I689 HydrophobicContact CD1-CG2 4.37Å; L685-I689 HydrophobicContact CG-CD1 4.23Å; I689-V691 HydrophobicContact CD1-CG2 4.14Å; I689-V691 HydrophobicContact CG1-CG2 4.36Å; I689-T699 WeakPolarHBondContact O-CG2 3.18Å; I689-V702 HydrophobicContact CD1-CG1 4Å; I689-V702 HydrophobicContact CG1-CG1 4.29Å; I689-L710 HydrophobicContact CD1-CD2 4.27Å; I689-L774 HydrophobicContact CB-CD1 4.15Å; I689-L774 HydrophobicContact CG2-CD1 4.43Å; I689-T775 CarbonylContact C-O 3.55Å; I689-T775 VanDerWaalsContact CA-O 3.3Å; I689-T775 WeakPolarHBondContact CA-O 3.25Å; I689-T776 HydrophobicContact CG2-CG2 4.01Å; I689-I780 HydrophobicContact CG2-CD1 3.73Å
690	R	95.1	Very high	85.6	Confident	80 Å²	80	50.4 Å²	50.4	30%	0.302	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133	165.5	171.8	-177	64.6	-157.8	-5.6	108.2	E613 V692 T699 L774 T775 F777	E613-R690 IonicContact OE2-NH1 3.87Å; E613-R690 IonicContact OE2-NH2 3.67Å; R690-V692 HydrophobicContact CG-CG2 4.47Å; R690-T699 VanDerWaalsContact CA-OG1 3.29Å; R690-T699 WeakPolarHBondContact CA-OG1 3.38Å; R690-T699 HydrophobicContact CB-CG2 4.45Å; R690-T699 WeakPolarHBondContact CG-OG1 3.43Å; R690-L774 WeakPolarHBondContact O-CA 3.3Å; R690-T775 PolarHBondContact N-O 3.13Å; R690-T775 PolarHBondContact NE-OG1 3.39Å; R690-T775 PolarHBondContact NH2-OG1 2.97Å; R690-T775 PolarHBondContact O-N 2.89Å; R690-F777 HydrophobicContact CB-CE2 4.1Å
691	V	96.4	Very high	87	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.2	-172.8	-172.2	0	0	0	0	109.8	I689 L698 T699 V702 L710 F712 L774	I689-V691 HydrophobicContact CD1-CG2 4.14Å; I689-V691 HydrophobicContact CG1-CG2 4.36Å; V691-L698 PolarHBondContact O-N 3.23Å; V691-T699 PolarHBondContact N-OG1 3.39Å; V691-V702 HydrophobicContact CG2-CG2 4.39Å; V691-L710 HydrophobicContact CG1-CD2 4.25Å; V691-L710 HydrophobicContact CG2-CD2 3.72Å; V691-F712 HydrophobicContact CG1-CZ 4.5Å; V691-L774 HydrophobicContact CG2-CD1 4Å
692	V	97.1	Very high	88.8	Confident	35 Å²	35	50.4 Å²	50.4	21%	0.212	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.8	176.9	-176.2	0	0	0	0	109.4	R690 T696 D697 V772 T773	R690-V692 HydrophobicContact CG-CG2 4.47Å; V692-T696 CarbonylContact C-O 3.56Å; V692-T696 VanDerWaalsContact CA-O 3.32Å; V692-T696 WeakPolarHBondContact CA-O 3.43Å; V692-D697 HydrophobicContact CG2-CB 4.33Å; V692-V772 CarbonylContact O-C 3.55Å; V692-V772 WeakPolarHBondContact O-CA 3.37Å; V692-T773 PolarHBondContact N-O 2.95Å; V692-T773 PolarHBondContact O-N 3.18Å
693	C	96.1	Very high	90.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.1	-178.3	-62.6	0	0	0	0	109.8	G695 T696 L698 H767 C769 E771	C693-G695 PolarHBondContact O-N 3.4Å; C693-T696 PolarHBondContact N-O 2.93Å; C693-T696 WeakPolarHBondContact O-CB 3.05Å; C693-T696 PolarHBondContact O-N 2.9Å; C693-L698 HydrophobicContact CB-CD1 3.96Å; C693-L698 VanDerWaalsContact SG-CD1 3.59Å; C693-H767 HydrophobicContact CB-CB 4.26Å; C693-C769 HydrophobicContact CB-CB 3.93Å; C693-E771 WeakPolarHBondContact CA-O 3.4Å
694	D	94.8	Very high	91.7	Very high	82 Å²	82	54.5 Å²	54.5	44%	0.439	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	26.7	-174.5	-65.5	-15.7	0	0	0	114.6	C769 K770 E771	D694-C769 HydrophobicContact CB-CB 4.42Å; D694-C769 WeakPolarHBondContact OD2-CA 3.19Å; D694-C769 VanDerWaalsContact OD2-CB 3.3Å; D694-C769 WeakPolarHBondContact OD2-CB 3.35Å; D694-K770 VanDerWaalsContact CG-N 3.35Å; D694-K770 WeakPolarHBondContact OD1-CA 3.39Å; D694-K770 PolarHBondContact OD1-N 3.35Å; D694-K770 PolarHBondContact OD2-N 3.39Å; D694-E771 PolarHBondContact N-O 3.29Å; D694-E771 PolarHBondContact OD1-N 3.12Å
695	G	92.8	Very high	92.4	Very high	68 Å²	68	53.4 Å²	53.4	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-10.9	-176.6	0	0	0	0	0	115.4	C693	C693-G695 PolarHBondContact O-N 3.4Å
696	T	94.9	Very high	92.6	Very high	70 Å²	70	60.6 Å²	60.6	43%	0.429	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.9	174.5	-52.9	0	0	0	0	110.5	V692 C693 L698	V692-T696 CarbonylContact C-O 3.56Å; V692-T696 VanDerWaalsContact CA-O 3.32Å; V692-T696 WeakPolarHBondContact CA-O 3.43Å; C693-T696 PolarHBondContact N-O 2.93Å; C693-T696 WeakPolarHBondContact O-CB 3.05Å; C693-T696 PolarHBondContact O-N 2.9Å; T696-L698 HydrophobicContact CG2-CD2 3.83Å
697	D	95.6	Very high	92.8	Very high	94 Å²	94	60.4 Å²	60.4	50%	0.503	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119.5	173.1	-166.9	-20.1	0	0	0	110.7	V692 T699	V692-D697 HydrophobicContact CG2-CB 4.33Å; D697-T699 WeakPolarHBondContact OD1-CB 3.45Å; D697-T699 PolarHBondContact OD1-N 2.98Å; D697-T699 PolarHBondContact OD1-OG1 2.89Å
698	L	94.1	Very high	93	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.079	30%	0.299	C	S	.	.			trans	-102	-0.3	-178.5	-56.3	179.3	0	0	0	112.8	V691 C693 T696 A700 K701 V702 L766 H767	V691-L698 PolarHBondContact O-N 3.23Å; C693-L698 HydrophobicContact CB-CD1 3.96Å; C693-L698 VanDerWaalsContact SG-CD1 3.59Å; T696-L698 HydrophobicContact CG2-CD2 3.83Å; L698-A700 VanDerWaalsContact C-N 3.25Å; L698-A700 PolarHBondContact O-N 3.48Å; L698-K701 PolarHBondContact O-N 2.75Å; L698-V702 WeakPolarHBondContact O-CG2 3.39Å; L698-V702 PolarHBondContact O-N 3.23Å; L698-L766 HydrophobicContact CD1-CB 4.4Å; L698-H767 HydrophobicContact CD1-CB 3.86Å
699	T	93.4	Very high	93.1	Very high	19 Å²	19	52.9 Å²	52.9	12%	0.117	29%	0.286	C	S	.	.	H	α-helix	trans	-57.1	-37.4	-172.3	-53.5	0	0	0	0	112.5	I689 R690 V691 D697 V702 Q703	I689-T699 WeakPolarHBondContact O-CG2 3.18Å; R690-T699 VanDerWaalsContact CA-OG1 3.29Å; R690-T699 WeakPolarHBondContact CA-OG1 3.38Å; R690-T699 HydrophobicContact CB-CG2 4.45Å; R690-T699 WeakPolarHBondContact CG-OG1 3.43Å; V691-T699 PolarHBondContact N-OG1 3.39Å; D697-T699 WeakPolarHBondContact OD1-CB 3.45Å; D697-T699 PolarHBondContact OD1-N 2.98Å; D697-T699 PolarHBondContact OD1-OG1 2.89Å; T699-V702 PolarHBondContact O-N 2.85Å; T699-Q703 WeakPolarHBondContact O-CB 3.49Å; T699-Q703 WeakPolarHBondContact O-CG 3.4Å; T699-Q703 PolarHBondContact O-N 3.07Å
700	A	92	Very high	93.2	Very high	71 Å²	71	52.8 Å²	52.8	59%	0.587	29%	0.285	S	S	*	.	H	α-helix	trans	-61.9	-49.7	174.9	0	0	0	0	0	112.3	L698 V702 Q703 E704	L698-A700 VanDerWaalsContact C-N 3.25Å; L698-A700 PolarHBondContact O-N 3.48Å; A700-V702 VanDerWaalsContact C-N 3.3Å; A700-V702 PolarHBondContact O-N 3.02Å; A700-Q703 PolarHBondContact O-N 3.28Å; A700-E704 WeakPolarHBondContact O-CB 3.27Å; A700-E704 PolarHBondContact O-N 3.01Å
701	K	91.3	Very high	93.3	Very high	75 Å²	75	49 Å²	49	33%	0.326	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-38.1	177.7	-176.2	176	175.6	-176.9	0	111.5	L698 M705 R765 L766	L698-K701 PolarHBondContact O-N 2.75Å; K701-M705 HydrophobicContact CD-CE 4.45Å; K701-M705 HydrophobicContact CG-CE 3.81Å; K701-M705 HydrophobicContact CG-SD 4.19Å; K701-M705 WeakPolarHBondContact O-CB 3.41Å; K701-M705 WeakPolarHBondContact O-CG 3.49Å; K701-M705 PolarHBondContact O-N 2.87Å; K701-R765 PolarHBondContact NZ-O 2.73Å; K701-R765 VanDerWaalsContact NZ-O 3.13Å; K701-L766 HydrophobicContact CD-CD2 4.24Å; K701-L766 HydrophobicContact CG-CD2 4.47Å
702	V	92.3	Very high	93.3	Very high	2 Å²	2	49 Å²	49	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-39.9	175.9	170.4	0	0	0	0	112	A686 I689 V691 L698 T699 A700 K706 L707 L766	A686-V702 HydrophobicContact CB-CG1 3.9Å; A686-V702 WeakPolarHBondContact CB-O 3.48Å; I689-V702 HydrophobicContact CD1-CG1 4Å; I689-V702 HydrophobicContact CG1-CG1 4.29Å; V691-V702 HydrophobicContact CG2-CG2 4.39Å; L698-V702 WeakPolarHBondContact O-CG2 3.39Å; L698-V702 PolarHBondContact O-N 3.23Å; T699-V702 PolarHBondContact O-N 2.85Å; A700-V702 VanDerWaalsContact C-N 3.3Å; A700-V702 PolarHBondContact O-N 3.02Å; V702-K706 PolarHBondContact O-N 3.41Å; V702-L707 HydrophobicContact CB-CD1 4.28Å; V702-L707 HydrophobicContact CG1-CB 4.48Å; V702-L707 HydrophobicContact CG1-CD1 4.24Å; V702-L707 HydrophobicContact CG2-CD1 4.1Å; V702-L707 PolarHBondContact O-N 2.98Å; V702-L766 HydrophobicContact CG2-CD1 4.19Å
703	Q	91.6	Very high	93.3	Very high	89 Å²	89	47.3 Å²	47.3	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-76.4	-42.6	179.2	-74.2	176	6.2	0	0	113.2	A686 T699 A700 M705 K706	A686-Q703 HydrophobicContact CB-CG 4.23Å; A686-Q703 WeakPolarHBondContact O-CG 3.28Å; A686-Q703 PolarHBondContact O-NE2 2.93Å; T699-Q703 WeakPolarHBondContact O-CB 3.49Å; T699-Q703 WeakPolarHBondContact O-CG 3.4Å; T699-Q703 PolarHBondContact O-N 3.07Å; A700-Q703 PolarHBondContact O-N 3.28Å; Q703-M705 PolarHBondContact O-N 3.17Å; Q703-K706 PolarHBondContact O-N 3.39Å
704	E	91.6	Very high	93.3	Very high	158 Å²	158	47.3 Å²	47.3	74%	0.738	26%	0.261	S	S	*	.	H	α-helix	trans	-58.8	-47.5	177.5	-178.7	172.2	-156	0	0	111.6	A700 K706	A700-E704 WeakPolarHBondContact O-CB 3.27Å; A700-E704 PolarHBondContact O-N 3.01Å; E704-K706 PolarHBondContact O-N 2.86Å
705	M	88.9	Confident	93.3	Very high	51 Å²	51	43.4 Å²	43.4	25%	0.251	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	1.7	179.8	-55.7	-170.8	-44.5	0	0	113.7	K701 Q703 L707 E764 L766	K701-M705 HydrophobicContact CD-CE 4.45Å; K701-M705 HydrophobicContact CG-CE 3.81Å; K701-M705 HydrophobicContact CG-SD 4.19Å; K701-M705 WeakPolarHBondContact O-CB 3.41Å; K701-M705 WeakPolarHBondContact O-CG 3.49Å; K701-M705 PolarHBondContact O-N 2.87Å; Q703-M705 PolarHBondContact O-N 3.17Å; M705-L707 VanDerWaalsContact C-N 3.32Å; M705-L707 HydrophobicContact CB-CD2 4.04Å; M705-L707 HydrophobicContact CB-CG 4.25Å; M705-L707 HydrophobicContact CE-CD1 4.24Å; M705-L707 HydrophobicContact CE-CD2 4.21Å; M705-L707 HydrophobicContact CE-CG 4.49Å; M705-L707 PolarHBondContact O-N 3.47Å; M705-E764 HydrophobicContact CE-CB 3.88Å; M705-E764 HydrophobicContact CE-CG 3.98Å; M705-E764 HydrophobicContact SD-CG 4.28Å; M705-L766 HydrophobicContact CE-CD2 3.44Å; M705-L766 VanDerWaalsContact CE-CD2 3.44Å
706	K	89.9	Confident	93.2	Very high	163 Å²	163	41.8 Å²	41.8	71%	0.709	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	47.2	175.2	-58.5	174.7	-173.7	171.3	0	113.5	V702 Q703 E704	V702-K706 PolarHBondContact O-N 3.41Å; Q703-K706 PolarHBondContact O-N 3.39Å; E704-K706 PolarHBondContact O-N 2.86Å
707	L	91.1	Very high	93	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.214	C	C	.	.			trans	-64.6	137.1	-175.5	-58.3	178.9	0	0	0	111.9	V702 M705 F749 T750 L766	V702-L707 HydrophobicContact CB-CD1 4.28Å; V702-L707 HydrophobicContact CG1-CB 4.48Å; V702-L707 HydrophobicContact CG1-CD1 4.24Å; V702-L707 HydrophobicContact CG2-CD1 4.1Å; V702-L707 PolarHBondContact O-N 2.98Å; M705-L707 VanDerWaalsContact C-N 3.32Å; M705-L707 HydrophobicContact CB-CD2 4.04Å; M705-L707 HydrophobicContact CB-CG 4.25Å; M705-L707 HydrophobicContact CE-CD1 4.24Å; M705-L707 HydrophobicContact CE-CD2 4.21Å; M705-L707 HydrophobicContact CE-CG 4.49Å; M705-L707 PolarHBondContact O-N 3.47Å; L707-F749 WeakPolarHBondContact CA-O 3.32Å; L707-T750 HydrophobicContact CD2-CG2 4.25Å; L707-L766 HydrophobicContact CD1-CD1 3.85Å; L707-L766 HydrophobicContact CD1-CD2 4.31Å
708	Q	89.9	Confident	92.8	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.154	19%	0.191	C	C	.	.	S	Bend	trans	-113.3	-8.3	-178.8	-62.2	-172.6	34.6	0	0	113.1	F640 L685 F749 M751	F640-Q708 PolarHBondContact N-O 3.17Å; L685-Q708 WeakPolarHBondContact CD2-O 3.47Å; Q708-F749 PolarHBondContact N-O 3.27Å; Q708-M751 HydrophobicContact CB-CE 3.7Å; Q708-M751 HydrophobicContact CG-CE 4.49Å
709	C	92.9	Very high	92.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.2	162.4	-177.1	0	0	0	0	109.4	L638 F640 F749 L754	L638-C709 WeakPolarHBondContact O-CA 3.35Å; L638-C709 PolarHBondContact O-SG 3.02Å; F640-C709 HydrophobicContact CB-CB 4.37Å; C709-F749 HydrophobicContact CB-CB 4.21Å; C709-F749 HydrophobicContact CB-CD2 4.19Å; C709-F749 PolarHBondContact N-O 3.44Å; C709-F749 PolarHBondContact O-N 2.84Å; C709-L754 HydrophobicContact CB-CD1 3.95Å
710	L	95.6	Very high	91.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.1	171.3	-172.3	69.3	0	0	0	107.7	S637 L638 I689 V691 F712 V746 L766	S637-L710 WeakPolarHBondContact CA-O 3.29Å; L638-L710 HydrophobicContact CD2-CB 3.94Å; L638-L710 HydrophobicContact CD2-CD2 4.25Å; L638-L710 HydrophobicContact CD2-CG 4.41Å; L638-L710 HydrophobicContact CG-CB 4.23Å; L638-L710 PolarHBondContact N-O 2.83Å; L638-L710 PolarHBondContact O-N 2.93Å; L638-L710 VanDerWaalsContact O-N 3.1Å; I689-L710 HydrophobicContact CD1-CD2 4.27Å; V691-L710 HydrophobicContact CG1-CD2 4.25Å; V691-L710 HydrophobicContact CG2-CD2 3.72Å; L710-F712 HydrophobicContact CD2-CE2 3.81Å; L710-F712 HydrophobicContact CD2-CZ 3.55Å; L710-F712 HydrophobicContact CG-CE2 4.02Å; L710-F712 HydrophobicContact CG-CZ 4.01Å; L710-V746 HydrophobicContact CD1-CG1 4.12Å; L710-L766 HydrophobicContact CD1-CD1 3.51Å
711	L	96.3	Very high	91.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.8	-175.5	173.5	69.4	0	0	0	109.6	Y635 L713 Y718 P724 I747 F749	Y635-L711 HydrophobicContact CG-CD1 4.18Å; L711-L713 HydrophobicContact CD2-CB 4.45Å; L711-L713 HydrophobicContact CD2-CD2 4.48Å; L711-L713 HydrophobicContact CG-CB 4.3Å; L711-Y718 HydrophobicContact CD1-CD2 4.09Å; L711-Y718 HydrophobicContact CD1-CE2 3.63Å; L711-Y718 HydrophobicContact CD2-CD1 4.27Å; L711-Y718 HydrophobicContact CD2-CD2 3.77Å; L711-Y718 HydrophobicContact CD2-CE1 4.2Å; L711-Y718 HydrophobicContact CD2-CE2 3.69Å; L711-Y718 HydrophobicContact CD2-CG 4.05Å; L711-Y718 HydrophobicContact CG-CE2 4.32Å; L711-P724 HydrophobicContact CD2-CG 4.28Å; L711-I747 HydrophobicContact CB-CB 4.26Å; L711-I747 HydrophobicContact CD2-CD1 4.31Å; L711-I747 PolarHBondContact N-O 3.16Å; L711-I747 PolarHBondContact O-N 3.33Å; L711-F749 HydrophobicContact CB-CD2 4.41Å; L711-F749 HydrophobicContact CB-CE2 3.77Å; L711-F749 HydrophobicContact CD2-CE2 3.71Å; L711-F749 HydrophobicContact CD2-CZ 3.98Å; L711-F749 HydrophobicContact CG-CE2 4.38Å
712	F	97.2	Very high	91.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.4	170.9	-60.9	-80.5	0	0	0	107.6	F632 Y635 F636 L638 V691 L710 I744 V746 V772 L774 I798	F632-F712 HydrophobicContact CZ-CB 4.44Å; Y635-F712 CarbonylContact C-O 3.47Å; Y635-F712 WeakPolarHBondContact CA-O 3.47Å; Y635-F712 WeakPolarHBondContact CB-O 3.4Å; F636-F712 HydrophobicContact CB-CB 4.37Å; F636-F712 HydrophobicContact CD1-CB 4.4Å; F636-F712 AromaticContact CD1-CD2 3.5Å; F636-F712 HydrophobicContact CD1-CD2 3.5Å; F636-F712 HydrophobicContact CD1-CE2 4.15Å; F636-F712 HydrophobicContact CD1-CG 4.24Å; F636-F712 AromaticContact CE1-CD2 3.98Å; F636-F712 HydrophobicContact CE1-CD2 3.98Å; F636-F712 HydrophobicContact CE1-CE2 4.16Å; F636-F712 HydrophobicContact CG-CD2 4.47Å; F636-F712 PolarHBondContact N-O 3.13Å; F636-F712 PolarHBondContact O-N 3.37Å; L638-F712 HydrophobicContact CD2-CD2 4.38Å; L638-F712 HydrophobicContact CD2-CE2 3.79Å; V691-F712 HydrophobicContact CG1-CZ 4.5Å; L710-F712 HydrophobicContact CD2-CE2 3.81Å; L710-F712 HydrophobicContact CD2-CZ 3.55Å; L710-F712 HydrophobicContact CG-CE2 4.02Å; L710-F712 HydrophobicContact CG-CZ 4.01Å; F712-I744 HydrophobicContact CB-CG2 3.94Å; F712-I744 HydrophobicContact CD1-CG2 4.13Å; F712-V746 HydrophobicContact CD1-CB 4.48Å; F712-V746 HydrophobicContact CD1-CG1 4.09Å; F712-V746 HydrophobicContact CD1-CG2 3.95Å; F712-V746 HydrophobicContact CE1-CB 4.44Å; F712-V746 HydrophobicContact CE1-CG1 3.67Å; F712-V746 HydrophobicContact CE1-CG2 4.02Å; F712-V746 HydrophobicContact CZ-CG1 4.44Å; F712-V772 HydrophobicContact CD1-CG1 4.42Å; F712-V772 HydrophobicContact CD1-CG2 4.15Å; F712-V772 HydrophobicContact CE1-CB 4.32Å; F712-V772 HydrophobicContact CE1-CG1 3.59Å; F712-V772 HydrophobicContact CE1-CG2 3.97Å; F712-V772 HydrophobicContact CZ-CG1 3.92Å; F712-L774 HydrophobicContact CE2-CD2 4.27Å; F712-I798 HydrophobicContact CB-CD1 4.34Å; F712-I798 HydrophobicContact CD1-CD1 4.06Å; F712-I798 HydrophobicContact CD2-CD1 4.07Å; F712-I798 HydrophobicContact CE1-CD1 4.41Å; F712-I798 HydrophobicContact CE2-CD1 4.39Å; F712-I798 HydrophobicContact CG-CD1 3.88Å
713	L	96.3	Very high	91	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.2	-168.3	-174	63.6	0	0	0	110.8	Y635 L711 I715 P724 E745 I747	Y635-L713 HydrophobicContact CD1-CD1 4.01Å; Y635-L713 HydrophobicContact CG-CD1 4.47Å; L711-L713 HydrophobicContact CD2-CB 4.45Å; L711-L713 HydrophobicContact CD2-CD2 4.48Å; L711-L713 HydrophobicContact CG-CB 4.3Å; L713-I715 HydrophobicContact CD1-CG1 4.28Å; L713-I715 VanDerWaalsContact CD1-O 3.23Å; L713-I715 WeakPolarHBondContact CD1-O 3.32Å; L713-I715 WeakPolarHBondContact CD2-O 3.36Å; L713-I715 WeakPolarHBondContact CG-O 3.12Å; L713-P724 HydrophobicContact CD2-CG 3.47Å; L713-P724 VanDerWaalsContact CD2-CG 3.47Å; L713-E745 HydrophobicContact CB-CB 4.26Å; L713-E745 PolarHBondContact N-O 3.08Å; L713-E745 PolarHBondContact O-N 3.39Å; L713-I747 HydrophobicContact CB-CD1 4.36Å; L713-I747 HydrophobicContact CD2-CD1 3.73Å
714	N	96.3	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-124.3	-4.2	179.5	176.2	69.6	0	0	0	112.6	D602 W604 F632 N633 N634 H739	D602-N714 WeakPolarHBondContact CB-OD1 3.1Å; D602-N714 PolarHBondContact O-ND2 3.25Å; W604-N714 PolarHBondContact NE1-OD1 3.28Å; F632-N714 HydrophobicContact CE2-CB 4.04Å; N633-N714 PolarHBondContact O-ND2 3.3Å; N634-N714 PolarHBondContact O-N 3.09Å; N714-H739 WeakPolarHBondContact O-CA 3.37Å; N714-H739 WeakPolarHBondContact O-CB 3.23Å
715	I	94.8	Very high	90.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-136.4	147.2	180	61	167.5	0	0	0	111	D570 L571 T574 L601 N634 L713 R717 Q737 H739	D570-I715 HydrophobicContact CB-CD1 4.1Å; L571-I715 HydrophobicContact CB-CD1 4.39Å; L571-I715 HydrophobicContact CD1-CG2 3.98Å; T574-I715 HydrophobicContact CG2-CB 4.17Å; T574-I715 HydrophobicContact CG2-CG2 4.27Å; L601-I715 HydrophobicContact CD1-CG2 3.98Å; N634-I715 HydrophobicContact CB-CD1 3.68Å; N634-I715 HydrophobicContact CB-CG1 4.12Å; L713-I715 HydrophobicContact CD1-CG1 4.28Å; L713-I715 VanDerWaalsContact CD1-O 3.23Å; L713-I715 WeakPolarHBondContact CD1-O 3.32Å; L713-I715 WeakPolarHBondContact CD2-O 3.36Å; L713-I715 WeakPolarHBondContact CG-O 3.12Å; I715-R717 WeakPolarHBondContact CD1-O 3.37Å; I715-R717 WeakPolarHBondContact CG1-O 3.35Å; I715-R717 PolarHBondContact O-N 3.23Å; I715-Q737 PolarHBondContact O-NE2 3.17Å; I715-H739 HydrophobicContact CG2-CB 4.22Å
716	P	91.2	Very high	90.4	Very high	33 Å²	33	23.8 Å²	23.8	21%	0.214	13%	0.129	C	C	.	.	S	Bend	trans	-67.3	9.3	-178.9	-19.9	31.1	0	0	0	117	Q737	P716-Q737 HydrophobicContact CB-CG 4.48Å; P716-Q737 HydrophobicContact CG-CG 4.13Å
717	R	91.5	Very high	89.5	Confident	97 Å²	97	22.1 Å²	22.1	37%	0.366	13%	0.128	S	C	.	.			trans	-135.5	132.2	-172.2	-62	-65.5	171.5	171.1	-5.6	111.1	D570 R573 T574 I715 G721 T722	D570-R717 HydrophobicContact CB-CB 4.24Å; R573-R717 HydrophobicContact CB-CB 4.41Å; R573-R717 HydrophobicContact CB-CG 3.98Å; T574-R717 WeakPolarHBondContact OG1-CG 3.19Å; I715-R717 WeakPolarHBondContact CD1-O 3.37Å; I715-R717 WeakPolarHBondContact CG1-O 3.35Å; I715-R717 PolarHBondContact O-N 3.23Å; R717-G721 VanDerWaalsContact CD-O 3.24Å; R717-G721 WeakPolarHBondContact CD-O 3.27Å; R717-G721 PolarHBondContact NH1-O 3.25Å; R717-T722 WeakPolarHBondContact CA-O 3.3Å
718	Y	90.8	Very high	88.2	Confident	3 Å²	3	25.9 Å²	25.9	1%	0.012	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-143.7	159.9	-175.1	174.3	-107.5	0	0	0	109.7	Y635 D641 L711 A720 G721 T722 P724 F749 L757	Y635-Y718 AromaticContact CD1-CD2 3.76Å; Y635-Y718 HydrophobicContact CD1-CD2 3.76Å; Y635-Y718 HydrophobicContact CD1-CE2 4.41Å; Y635-Y718 AromaticContact CE1-CD2 3.69Å; Y635-Y718 HydrophobicContact CE1-CD2 3.69Å; Y635-Y718 HydrophobicContact CE1-CE2 4.33Å; Y635-Y718 HydrophobicContact CG-CD2 4.3Å; D641-Y718 PolarHBondContact OD1-OH 2.81Å; D641-Y718 VanDerWaalsContact OD1-OH 3.14Å; D641-Y718 PolarHBondContact OD2-OH 3.41Å; L711-Y718 HydrophobicContact CD1-CD2 4.09Å; L711-Y718 HydrophobicContact CD1-CE2 3.63Å; L711-Y718 HydrophobicContact CD2-CD1 4.27Å; L711-Y718 HydrophobicContact CD2-CD2 3.77Å; L711-Y718 HydrophobicContact CD2-CE1 4.2Å; L711-Y718 HydrophobicContact CD2-CE2 3.69Å; L711-Y718 HydrophobicContact CD2-CG 4.05Å; L711-Y718 HydrophobicContact CG-CE2 4.32Å; Y718-A720 VanDerWaalsContact C-N 3.33Å; Y718-A720 PolarHBondContact O-N 3.02Å; Y718-A720 VanDerWaalsContact O-N 3.15Å; Y718-G721 CarbonylContact O-C 3.52Å; Y718-G721 PolarHBondContact O-N 2.94Å; Y718-T722 PolarHBondContact N-O 2.99Å; Y718-T722 PolarHBondContact O-N 3.07Å; Y718-T722 PolarHBondContact O-OG1 3.04Å; Y718-P724 HydrophobicContact CD1-CB 4.3Å; Y718-P724 HydrophobicContact CD1-CG 4.18Å; Y718-P724 HydrophobicContact CG-CG 4.13Å; Y718-F749 HydrophobicContact CE1-CE2 4.41Å; Y718-F749 HydrophobicContact CE1-CZ 4.31Å; Y718-L757 HydrophobicContact CD1-CD1 4.14Å; Y718-L757 HydrophobicContact CE1-CD1 3.8Å
719	C	85.1	Confident	86.2	Confident	34 Å²	34	28.1 Å²	28.1	23%	0.23	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	54.2	173.5	-160.2	0	0	0	0	114	G721 Q758	C719-G721 PolarHBondContact O-N 2.99Å; C719-Q758 PolarHBondContact O-NE2 3.07Å; C719-Q758 VanDerWaalsContact O-NE2 3.1Å; C719-Q758 PolarHBondContact SG-NE2 3.17Å
720	A	81.2	Confident	84	Confident	34 Å²	34	37.8 Å²	37.8	28%	0.281	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	27.4	-178.3	0	0	0	0	0	116.3	D570 R573 Y718	D570-A720 VanDerWaalsContact OD1-CA 3.27Å; D570-A720 WeakPolarHBondContact OD1-CA 3.48Å; D570-A720 PolarHBondContact OD1-N 3.36Å; D570-A720 VanDerWaalsContact OD1-N 3.1Å; D570-A720 PolarHBondContact OD2-N 3.44Å; R573-A720 VanDerWaalsContact CZ-C 3.48Å; R573-A720 PolarHBondContact NE-O 2.89Å; R573-A720 VanDerWaalsContact NH2-C 3.29Å; R573-A720 PolarHBondContact NH2-O 3.24Å; Y718-A720 VanDerWaalsContact C-N 3.33Å; Y718-A720 PolarHBondContact O-N 3.02Å; Y718-A720 VanDerWaalsContact O-N 3.15Å
721	G	82.2	Confident	81.9	Confident	15 Å²	15	39.6 Å²	39.6	16%	0.155	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	126	0.6	163	0	0	0	0	0	116.5	D570 R573 R717 Y718 C719	D570-G721 PolarHBondContact OD1-N 3.09Å; R573-G721 VanDerWaalsContact CD-CA 3.41Å; R717-G721 VanDerWaalsContact CD-O 3.24Å; R717-G721 WeakPolarHBondContact CD-O 3.27Å; R717-G721 PolarHBondContact NH1-O 3.25Å; Y718-G721 CarbonylContact O-C 3.52Å; Y718-G721 PolarHBondContact O-N 2.94Å; C719-G721 PolarHBondContact O-N 2.99Å
722	T	86.6	Confident	80	Confident	14 Å²	14	48.8 Å²	48.8	9%	0.086	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-65.3	158.4	175.5	70.1	0	0	0	0	111.1	R717 Y718 P724 L757	R717-T722 WeakPolarHBondContact CA-O 3.3Å; Y718-T722 PolarHBondContact N-O 2.99Å; Y718-T722 PolarHBondContact O-N 3.07Å; Y718-T722 PolarHBondContact O-OG1 3.04Å; T722-P724 VanDerWaalsContact O-CD 3.27Å; T722-P724 WeakPolarHBondContact O-CD 3.4Å; T722-L757 HydrophobicContact CG2-CB 4.44Å; T722-L757 VanDerWaalsContact CG2-O 3.32Å; T722-L757 WeakPolarHBondContact CG2-O 3.4Å
723	T	89.9	Confident	78.9	Confident	48 Å²	48	55.4 Å²	55.4	29%	0.294	31%	0.308	S	S	.	.			trans	-113.7	78.6	-178.1	46.3	0	0	0	0	109.6	W725 G726	T723-W725 PolarHBondContact O-N 3.08Å; T723-G726 PolarHBondContact O-N 2.84Å
724	P	89.3	Confident	78.2	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.4	-167.5	30	-39.5	0	0	0	114.3	L711 L713 Y718 T722 G726 I747 F749 L757 G763	L711-P724 HydrophobicContact CD2-CG 4.28Å; L713-P724 HydrophobicContact CD2-CG 3.47Å; L713-P724 VanDerWaalsContact CD2-CG 3.47Å; Y718-P724 HydrophobicContact CD1-CB 4.3Å; Y718-P724 HydrophobicContact CD1-CG 4.18Å; Y718-P724 HydrophobicContact CG-CG 4.13Å; T722-P724 VanDerWaalsContact O-CD 3.27Å; T722-P724 WeakPolarHBondContact O-CD 3.4Å; P724-G726 VanDerWaalsContact C-N 3.29Å; P724-I747 HydrophobicContact CB-CD1 3.96Å; P724-I747 HydrophobicContact CG-CD1 3.91Å; P724-F749 HydrophobicContact CB-CE1 4.23Å; P724-F749 HydrophobicContact CB-CZ 3.77Å; P724-L757 HydrophobicContact CB-CD2 3.85Å; P724-G763 PolarHBondContact O-N 3.24Å
725	W	88.2	Confident	77.7	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.015	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.5	171.5	-164.9	-114.9	0	0	0	112.6	T723 F734 Q737 E745 I747 R765 H767	T723-W725 PolarHBondContact O-N 3.08Å; W725-F734 HydrophobicContact CH2-CD1 4.37Å; W725-F734 HydrophobicContact CZ2-CB 4.18Å; W725-F734 HydrophobicContact CZ2-CD1 4.14Å; W725-F734 HydrophobicContact CZ2-CG 4.06Å; W725-Q737 HydrophobicContact CG-CB 4.36Å; W725-E745 HydrophobicContact CD2-CB 4.1Å; W725-E745 HydrophobicContact CD2-CG 3.6Å; W725-E745 HydrophobicContact CE3-CB 3.58Å; W725-E745 HydrophobicContact CE3-CG 3.62Å; W725-E745 HydrophobicContact CG-CG 4.21Å; W725-E745 HydrophobicContact CH2-CB 4.15Å; W725-E745 HydrophobicContact CH2-CG 3.98Å; W725-E745 HydrophobicContact CZ2-CG 3.95Å; W725-E745 HydrophobicContact CZ3-CB 3.61Å; W725-E745 HydrophobicContact CZ3-CG 3.82Å; W725-I747 HydrophobicContact CB-CD1 4.38Å; W725-I747 HydrophobicContact CE3-CD1 3.83Å; W725-I747 HydrophobicContact CE3-CG1 3.66Å; W725-I747 HydrophobicContact CZ3-CG1 3.95Å; W725-R765 HydrophobicContact CD2-CG 3.82Å; W725-R765 HydrophobicContact CE3-CB 4.32Å; W725-R765 HydrophobicContact CE3-CG 3.66Å; W725-R765 HydrophobicContact CH2-CB 3.91Å; W725-R765 HydrophobicContact CH2-CG 4.03Å; W725-R765 HydrophobicContact CZ2-CB 4.34Å; W725-R765 HydrophobicContact CZ2-CG 4.17Å; W725-R765 HydrophobicContact CZ3-CB 3.9Å; W725-R765 HydrophobicContact CZ3-CG 3.77Å; W725-R765 WeakPolarHBondContact O-CD 3.32Å; W725-H767 WeakPolarHBondContact CH2-O 3.48Å
726	G	82.3	Confident	77.3	Confident	17 Å²	17	67.5 Å²	67.5	18%	0.175	37%	0.37	C	S	.	.			trans	71.1	-173.3	-170.1	0	0	0	0	0	113.1	T723 P724	T723-G726 PolarHBondContact O-N 2.84Å; P724-G726 VanDerWaalsContact C-N 3.29Å
727	N	71.6	Confident	77.1	Confident	129 Å²	129	67.5 Å²	67.5	69%	0.69	37%	0.367	S	S	*	.			trans	-88.2	145.5	171.2	-71.9	-22	0	0	0	110.1	S729	N727-S729 PolarHBondContact O-N 3.47Å
728	P	62.9	Low	77	Confident	82 Å²	82	67.8 Å²	67.8	53%	0.532	37%	0.368	S	S	.	.			trans	-76.2	88.1	176.1	31.2	-34.1	0	0	0	111	P736	P728-P736 HydrophobicContact CG-CB 4.48Å
729	S	48.3	Very low	77.1	Confident	79 Å²	79	68.7 Å²	68.7	55%	0.552	37%	0.372	S	S	*	.			trans	-118.1	135.9	171.1	53	0	0	0	0	111.9	N727 S731	N727-S729 PolarHBondContact O-N 3.47Å; S729-S731 PolarHBondContact O-N 3Å
730	E	46.5	Very low	77.5	Confident	203 Å²	203	69.4 Å²	69.4	95%	0.949	37%	0.374	S	S	*	.	S	Bend	trans	62.2	-25.4	168.9	-54.3	-166.4	154.4	0	0	119.3
731	S	50.8	Low	78.1	Confident	40 Å²	40	69.8 Å²	69.8	28%	0.28	37%	0.371	S	S	.	.			trans	-84.2	113	174.9	61.9	0	0	0	0	112.1	S729 D733 R765	S729-S731 PolarHBondContact O-N 3Å; S731-D733 PolarHBondContact O-N 2.91Å; S731-R765 PolarHBondContact OG-NH1 3.02Å; S731-R765 PolarHBondContact OG-NH2 3.48Å
732	Q	57.2	Low	78.7	Confident	193 Å²	193	69.4 Å²	69.4	90%	0.902	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.6	-178.6	-69.6	-173.8	-11.6	0	0	115
733	D	73.8	Confident	79.1	Confident	138 Å²	138	69.5 Å²	69.5	74%	0.738	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.8	-168.7	-50.1	-64.2	0	0	0	115.5	S731	S731-D733 PolarHBondContact O-N 2.91Å
734	F	82.6	Confident	79.4	Confident	54 Å²	54	67.3 Å²	67.3	24%	0.237	36%	0.355	C	S	.	.			trans	-136.2	137.8	-174.3	-63.1	-62.5	0	0	0	112.7	W725 R765 Q768	W725-F734 HydrophobicContact CH2-CD1 4.37Å; W725-F734 HydrophobicContact CZ2-CB 4.18Å; W725-F734 HydrophobicContact CZ2-CD1 4.14Å; W725-F734 HydrophobicContact CZ2-CG 4.06Å; F734-R765 HydrophobicContact CD2-CB 4.26Å; F734-R765 HydrophobicContact CE2-CB 3.9Å; F734-R765 HydrophobicContact CZ-CB 4.45Å; F734-Q768 HydrophobicContact CD1-CB 4.39Å
735	E	84.2	Confident	79.6	Confident	133 Å²	133	67.3 Å²	67.3	62%	0.621	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-73.4	161.2	172.6	-69	-70.6	170.2	0	0	111.9
736	P	86.2	Confident	80	Confident	68 Å²	68	67.1 Å²	67.1	44%	0.442	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-60.7	136.6	170.2	-21.2	33.6	0	0	0	111.4	P728 R738	P728-P736 HydrophobicContact CG-CB 4.48Å; P736-R738 PolarHBondContact O-N 2.88Å
737	Q	88.2	Confident	80.6	Confident	33 Å²	33	66.3 Å²	66.3	15%	0.154	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-62	131.3	-179.3	178.5	169.6	35.2	0	0	112.4	I715 P716 W725 E745	I715-Q737 PolarHBondContact O-NE2 3.17Å; P716-Q737 HydrophobicContact CB-CG 4.48Å; P716-Q737 HydrophobicContact CG-CG 4.13Å; W725-Q737 HydrophobicContact CG-CB 4.36Å; Q737-E745 HydrophobicContact CB-CG 4.48Å; Q737-E745 HydrophobicContact CG-CG 4.07Å; Q737-E745 WeakPolarHBondContact CG-OE2 3.38Å; Q737-E745 PolarHBondContact NE2-OE2 2.93Å
738	R	89.6	Confident	81.7	Confident	103 Å²	103	60.1 Å²	60.1	39%	0.389	31%	0.313	S	S	.	.			trans	-129.4	-179.6	176.7	-58.8	177.7	76.5	-101.4	-6.3	110.1	P736 D740 D741	P736-R738 PolarHBondContact O-N 2.88Å; R738-D740 IonicContact CZ-OD1 3.53Å; R738-D740 IonicContact CZ-OD2 2.81Å; R738-D740 IonicContact NE-OD1 3.25Å; R738-D740 PolarHBondContact NH1-O 2.9Å; R738-D740 IonicContact NH1-OD1 3.02Å; R738-D740 PolarHBondContact NH1-OD1 3.2Å; R738-D740 IonicContact NH1-OD2 3.5Å; R738-D740 IonicContact NH2-OD1 2.96Å; R738-D740 PolarHBondContact NH2-OD1 3.23Å; R738-D740 IonicContact NH2-OD2 3.43Å; R738-D740 PolarHBondContact NH2-OD2 2.84Å; R738-D741 HydrophobicContact CB-CB 4.28Å
739	H	93	Very high	83.1	Confident	21 Å²	21	56.2 Å²	56.2	10%	0.097	29%	0.288	C	S	.	.	S	Bend	trans	-132	18.6	176.4	57.6	-81.8	0	0	0	111.2	Q600 L601 D602 N714 I715	Q600-H739 PolarHBondContact O-CD2 2.7Å; L601-H739 CarbonylContact C-O 3.48Å; L601-H739 VanDerWaalsContact CA-O 3.31Å; L601-H739 WeakPolarHBondContact CA-O 3.3Å; L601-H739 HydrophobicContact CD1-CB 4.14Å; D602-H739 PolarHBondContact N-O 3.01Å; N714-H739 WeakPolarHBondContact O-CA 3.37Å; N714-H739 WeakPolarHBondContact O-CB 3.23Å; I715-H739 HydrophobicContact CG2-CB 4.22Å
740	D	93.6	Very high	85.2	Confident	49 Å²	49	54.5 Å²	54.5	26%	0.262	27%	0.274	S	S	.	.	S	Bend	trans	-156.6	32.7	-170.4	69.3	-48.3	0	0	0	112	Q600 D602 R738	Q600-D740 HydrophobicContact CB-CB 3.94Å; D602-D740 VanDerWaalsContact OD2-C 3.25Å; D602-D740 WeakPolarHBondContact OD2-CA 3.16Å; D602-D740 PolarHBondContact OD2-N 3.23Å; R738-D740 IonicContact CZ-OD1 3.53Å; R738-D740 IonicContact CZ-OD2 2.81Å; R738-D740 IonicContact NE-OD1 3.25Å; R738-D740 PolarHBondContact NH1-O 2.9Å; R738-D740 IonicContact NH1-OD1 3.02Å; R738-D740 PolarHBondContact NH1-OD1 3.2Å; R738-D740 IonicContact NH1-OD2 3.5Å; R738-D740 IonicContact NH2-OD1 2.96Å; R738-D740 PolarHBondContact NH2-OD1 3.23Å; R738-D740 IonicContact NH2-OD2 3.43Å; R738-D740 PolarHBondContact NH2-OD2 2.84Å
741	D	93.7	Very high	86.9	Confident	43 Å²	43	46.2 Å²	46.2	23%	0.23	24%	0.235	C	C	.	.	S	Bend	trans	-112.6	-7	174.4	58.7	8.9	0	0	0	113.8	D602 R738 C743 K770	D602-D741 PolarHBondContact OD2-N 2.84Å; R738-D741 HydrophobicContact CB-CB 4.28Å; D741-C743 WeakPolarHBondContact OD1-CB 3.22Å; D741-C743 PolarHBondContact OD1-N 2.92Å; D741-K770 PolarHBondContact O-NZ 3.16Å
742	G	94.5	Very high	88.6	Confident	7 Å²	7	49.2 Å²	49.2	7%	0.072	25%	0.252	C	S	.	.	S	Bend	trans	69	38.2	-173.1	0	0	0	0	0	113.4	D602 K770	D602-G742 WeakPolarHBondContact OD2-CA 3.16Å; D602-G742 PolarHBondContact OD2-N 2.8Å; G742-K770 WeakPolarHBondContact O-CG 3.39Å; G742-K770 PolarHBondContact O-NZ 2.71Å
743	C	94.8	Very high	90.1	Very high	16 Å²	16	40.5 Å²	40.5	11%	0.108	21%	0.213	C	C	.	.			trans	-126.2	162	174.2	-69.2	0	0	0	0	112.7	W604 D741 Q768 C769 K770	W604-C743 WeakPolarHBondContact CZ2-O 3.24Å; D741-C743 WeakPolarHBondContact OD1-CB 3.22Å; D741-C743 PolarHBondContact OD1-N 2.92Å; C743-Q768 HydrophobicContact CB-CG 3.77Å; C743-C769 CarbonylContact C-O 3.58Å; C743-C769 WeakPolarHBondContact CA-O 3.2Å; C743-K770 PolarHBondContact SG-NZ 2.57Å
744	I	95.4	Very high	90.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.8	166.8	-74.6	166.6	0	0	0	108.7	W604 F632 F712 V746 Q768 C769 I798	W604-I744 HydrophobicContact CB-CD1 4.46Å; W604-I744 HydrophobicContact CD2-CD1 3.46Å; W604-I744 VanDerWaalsContact CD2-CD1 3.46Å; W604-I744 HydrophobicContact CD2-CG1 3.63Å; W604-I744 HydrophobicContact CE3-CD1 3.34Å; W604-I744 HydrophobicContact CE3-CG1 3.84Å; W604-I744 HydrophobicContact CG-CD1 3.92Å; W604-I744 HydrophobicContact CG-CG1 4.18Å; W604-I744 HydrophobicContact CH2-CD1 4.29Å; W604-I744 HydrophobicContact CH2-CG1 3.99Å; W604-I744 HydrophobicContact CZ2-CD1 4.4Å; W604-I744 HydrophobicContact CZ2-CG1 3.8Å; W604-I744 HydrophobicContact CZ3-CD1 3.77Å; W604-I744 HydrophobicContact CZ3-CG1 4Å; F632-I744 HydrophobicContact CZ-CD1 3.78Å; F632-I744 HydrophobicContact CZ-CG1 4.32Å; F712-I744 HydrophobicContact CB-CG2 3.94Å; F712-I744 HydrophobicContact CD1-CG2 4.13Å; I744-V746 HydrophobicContact CG2-CG2 4.25Å; I744-Q768 CarbonylContact O-C 3.5Å; I744-Q768 VanDerWaalsContact O-CA 3.31Å; I744-Q768 WeakPolarHBondContact O-CA 3.27Å; I744-C769 PolarHBondContact N-O 2.77Å; I744-C769 PolarHBondContact O-N 2.84Å; I744-I798 HydrophobicContact CD1-CB 4.42Å; I744-I798 HydrophobicContact CD1-CG2 3.47Å; I744-I798 VanDerWaalsContact CD1-CG2 3.47Å
745	E	95.2	Very high	90.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.3	163.5	-73	72	-134.3	0	0	110.7	L713 W725 Q737 I747 Q768	L713-E745 HydrophobicContact CB-CB 4.26Å; L713-E745 PolarHBondContact N-O 3.08Å; L713-E745 PolarHBondContact O-N 3.39Å; W725-E745 HydrophobicContact CD2-CB 4.1Å; W725-E745 HydrophobicContact CD2-CG 3.6Å; W725-E745 HydrophobicContact CE3-CB 3.58Å; W725-E745 HydrophobicContact CE3-CG 3.62Å; W725-E745 HydrophobicContact CG-CG 4.21Å; W725-E745 HydrophobicContact CH2-CB 4.15Å; W725-E745 HydrophobicContact CH2-CG 3.98Å; W725-E745 HydrophobicContact CZ2-CG 3.95Å; W725-E745 HydrophobicContact CZ3-CB 3.61Å; W725-E745 HydrophobicContact CZ3-CG 3.82Å; Q737-E745 HydrophobicContact CB-CG 4.48Å; Q737-E745 HydrophobicContact CG-CG 4.07Å; Q737-E745 WeakPolarHBondContact CG-OE2 3.38Å; Q737-E745 PolarHBondContact NE2-OE2 2.93Å; E745-I747 HydrophobicContact CB-CG1 4.39Å; E745-Q768 PolarHBondContact OE1-NE2 3.12Å
746	V	95.8	Very high	90.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.8	176.7	-170	0	0	0	0	108.9	L710 F712 I744 L766 H767 C769	L710-V746 HydrophobicContact CD1-CG1 4.12Å; F712-V746 HydrophobicContact CD1-CB 4.48Å; F712-V746 HydrophobicContact CD1-CG1 4.09Å; F712-V746 HydrophobicContact CD1-CG2 3.95Å; F712-V746 HydrophobicContact CE1-CB 4.44Å; F712-V746 HydrophobicContact CE1-CG1 3.67Å; F712-V746 HydrophobicContact CE1-CG2 4.02Å; F712-V746 HydrophobicContact CZ-CG1 4.44Å; I744-V746 HydrophobicContact CG2-CG2 4.25Å; V746-L766 HydrophobicContact CB-CB 4.33Å; V746-L766 HydrophobicContact CG1-CB 4.18Å; V746-L766 HydrophobicContact CG1-CD1 4.25Å; V746-L766 VanDerWaalsContact O-CB 3.3Å; V746-L766 WeakPolarHBondContact O-CB 3.4Å; V746-L766 PolarHBondContact O-N 2.92Å; V746-H767 HydrophobicContact CB-CB 4.29Å; V746-H767 HydrophobicContact CG2-CB 4.29Å; V746-H767 PolarHBondContact N-O 3.16Å; V746-H767 PolarHBondContact O-N 3.4Å; V746-C769 WeakPolarHBondContact CG2-SG 3.43Å
747	I	95	Very high	90.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.9	-171.2	-51.1	-175.8	0	0	0	110.2	L711 L713 P724 W725 E745 F749 E764	L711-I747 HydrophobicContact CB-CB 4.26Å; L711-I747 HydrophobicContact CD2-CD1 4.31Å; L711-I747 PolarHBondContact N-O 3.16Å; L711-I747 PolarHBondContact O-N 3.33Å; L713-I747 HydrophobicContact CB-CD1 4.36Å; L713-I747 HydrophobicContact CD2-CD1 3.73Å; P724-I747 HydrophobicContact CB-CD1 3.96Å; P724-I747 HydrophobicContact CG-CD1 3.91Å; W725-I747 HydrophobicContact CB-CD1 4.38Å; W725-I747 HydrophobicContact CE3-CD1 3.83Å; W725-I747 HydrophobicContact CE3-CG1 3.66Å; W725-I747 HydrophobicContact CZ3-CG1 3.95Å; E745-I747 HydrophobicContact CB-CG1 4.39Å; I747-F749 HydrophobicContact CG2-CD1 4.46Å; I747-F749 HydrophobicContact CG2-CE1 3.93Å; I747-F749 HydrophobicContact CG2-CE2 4.08Å; I747-F749 HydrophobicContact CG2-CZ 3.74Å; I747-E764 WeakPolarHBondContact CA-O 3.35Å
748	G	94.4	Very high	90.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.9	171	0	0	0	0	0	111.6	E764	G748-E764 PolarHBondContact N-O 3.1Å; G748-E764 PolarHBondContact O-N 3.5Å
749	F	92.9	Very high	90.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.3	169.7	-61.3	-71.7	0	0	0	113.6	L707 Q708 C709 L711 Y718 P724 I747 S753 L754 L757	L707-F749 WeakPolarHBondContact CA-O 3.32Å; Q708-F749 PolarHBondContact N-O 3.27Å; C709-F749 HydrophobicContact CB-CB 4.21Å; C709-F749 HydrophobicContact CB-CD2 4.19Å; C709-F749 PolarHBondContact N-O 3.44Å; C709-F749 PolarHBondContact O-N 2.84Å; L711-F749 HydrophobicContact CB-CD2 4.41Å; L711-F749 HydrophobicContact CB-CE2 3.77Å; L711-F749 HydrophobicContact CD2-CE2 3.71Å; L711-F749 HydrophobicContact CD2-CZ 3.98Å; L711-F749 HydrophobicContact CG-CE2 4.38Å; Y718-F749 HydrophobicContact CE1-CE2 4.41Å; Y718-F749 HydrophobicContact CE1-CZ 4.31Å; P724-F749 HydrophobicContact CB-CE1 4.23Å; P724-F749 HydrophobicContact CB-CZ 3.77Å; I747-F749 HydrophobicContact CG2-CD1 4.46Å; I747-F749 HydrophobicContact CG2-CE1 3.93Å; I747-F749 HydrophobicContact CG2-CE2 4.08Å; I747-F749 HydrophobicContact CG2-CZ 3.74Å; F749-S753 WeakPolarHBondContact CA-OG 3.32Å; F749-L754 HydrophobicContact CB-CD1 3.71Å; F749-L754 HydrophobicContact CB-CG 3.7Å; F749-L754 HydrophobicContact CD1-CG 4.27Å; F749-L754 HydrophobicContact CD2-CD2 4.34Å; F749-L754 HydrophobicContact CD2-CG 4.36Å; F749-L754 HydrophobicContact CG-CD1 4.33Å; F749-L754 HydrophobicContact CG-CD2 4.3Å; F749-L754 HydrophobicContact CG-CG 3.89Å; F749-L757 HydrophobicContact CE1-CD1 3.93Å; F749-L757 HydrophobicContact CE1-CD2 3.97Å; F749-L757 HydrophobicContact CE1-CG 4.17Å; F749-L757 HydrophobicContact CZ-CD1 4.06Å; F749-L757 HydrophobicContact CZ-CD2 4.41Å
750	T	90.9	Very high	89.7	Confident	43 Å²	43	36.7 Å²	36.7	26%	0.264	23%	0.231	S	C	.	.			trans	-85.6	163.2	155	66.4	0	0	0	0	109.9	L707 T752 S753 L754	L707-T750 HydrophobicContact CD2-CG2 4.25Å; T750-T752 VanDerWaalsContact C-N 3.25Å; T750-T752 PolarHBondContact O-N 3.25Å; T750-S753 PolarHBondContact N-OG 3.19Å; T750-S753 PolarHBondContact O-N 3.29Å; T750-S753 PolarHBondContact O-OG 3.12Å; T750-S753 PolarHBondContact OG1-N 2.83Å; T750-S753 PolarHBondContact OG1-OG 2.87Å; T750-L754 PolarHBondContact O-N 2.86Å
751	M	84.2	Confident	89.3	Confident	28 Å²	28	35.1 Å²	35.1	14%	0.138	23%	0.226	C	C	.	.	H	α-helix	trans	-55.2	-40.2	173.5	-76.8	-64.2	103.2	0	0	112.7	F640 F677 Q708 L754 A755	F640-M751 HydrophobicContact CB-CE 3.7Å; F640-M751 HydrophobicContact CD1-CE 3.91Å; F640-M751 HydrophobicContact CD2-CE 3.65Å; F640-M751 HydrophobicContact CD2-SD 4.04Å; F640-M751 HydrophobicContact CE1-CE 4.45Å; F640-M751 HydrophobicContact CE2-CE 4.23Å; F640-M751 HydrophobicContact CE2-SD 4.05Å; F640-M751 HydrophobicContact CG-CE 3.47Å; F640-M751 VanDerWaalsContact CG-CE 3.47Å; F640-M751 HydrophobicContact CG-SD 4.34Å; F640-M751 HydrophobicContact CZ-SD 4.35Å; F677-M751 HydrophobicContact CD2-SD 3.78Å; F677-M751 HydrophobicContact CE2-CB 3.94Å; F677-M751 HydrophobicContact CE2-CG 4.46Å; F677-M751 HydrophobicContact CE2-SD 4.09Å; Q708-M751 HydrophobicContact CB-CE 3.7Å; Q708-M751 HydrophobicContact CG-CE 4.49Å; M751-L754 HydrophobicContact CE-CD1 3.68Å; M751-L754 PolarHBondContact O-N 2.77Å; M751-A755 WeakPolarHBondContact O-CB 3.29Å; M751-A755 PolarHBondContact O-N 3.06Å
752	T	86.1	Confident	89.2	Confident	104 Å²	104	37.6 Å²	37.6	64%	0.638	24%	0.236	S	C	*	.	H	α-helix	trans	-61.5	-45.7	177.3	-43.2	0	0	0	0	111.7	T750 A755 T756	T750-T752 VanDerWaalsContact C-N 3.25Å; T750-T752 PolarHBondContact O-N 3.25Å; T752-A755 PolarHBondContact O-N 3.37Å; T752-T756 WeakPolarHBondContact O-CG2 3.1Å; T752-T756 PolarHBondContact O-N 3.15Å; T752-T756 VanDerWaalsContact O-N 3.07Å; T752-T756 PolarHBondContact O-OG1 3.32Å
753	S	88.5	Confident	89	Confident	10 Å²	10	37.3 Å²	37.3	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-37.1	177.9	57.5	0	0	0	0	113.3	F749 T750 T756 L757	F749-S753 WeakPolarHBondContact CA-OG 3.32Å; T750-S753 PolarHBondContact N-OG 3.19Å; T750-S753 PolarHBondContact O-N 3.29Å; T750-S753 PolarHBondContact O-OG 3.12Å; T750-S753 PolarHBondContact OG1-N 2.83Å; T750-S753 PolarHBondContact OG1-OG 2.87Å; S753-T756 PolarHBondContact O-N 3.23Å; S753-T756 PolarHBondContact O-OG1 3.12Å; S753-L757 WeakPolarHBondContact O-CG 3.24Å; S753-L757 PolarHBondContact O-N 2.95Å
754	L	86.9	Confident	88.8	Confident	30 Å²	30	40.6 Å²	40.6	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-40.4	174.5	-89.2	156.8	0	0	0	112	F640 C709 F749 T750 M751 T756 L757	F640-L754 HydrophobicContact CB-CD1 4.38Å; F640-L754 HydrophobicContact CD1-CD1 4.09Å; C709-L754 HydrophobicContact CB-CD1 3.95Å; F749-L754 HydrophobicContact CB-CD1 3.71Å; F749-L754 HydrophobicContact CB-CG 3.7Å; F749-L754 HydrophobicContact CD1-CG 4.27Å; F749-L754 HydrophobicContact CD2-CD2 4.34Å; F749-L754 HydrophobicContact CD2-CG 4.36Å; F749-L754 HydrophobicContact CG-CD1 4.33Å; F749-L754 HydrophobicContact CG-CD2 4.3Å; F749-L754 HydrophobicContact CG-CG 3.89Å; T750-L754 PolarHBondContact O-N 2.86Å; M751-L754 HydrophobicContact CE-CD1 3.68Å; M751-L754 PolarHBondContact O-N 2.77Å; L754-T756 VanDerWaalsContact C-N 3.34Å; L754-L757 HydrophobicContact CD2-CD1 4.05Å
755	A	83.8	Confident	88.7	Confident	61 Å²	61	42.8 Å²	42.8	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-66.4	-33.5	176.8	0	0	0	0	0	112.8	F677 M751 T752	F677-A755 HydrophobicContact CE2-CB 4.17Å; F677-A755 HydrophobicContact CZ-CB 4.45Å; M751-A755 WeakPolarHBondContact O-CB 3.29Å; M751-A755 PolarHBondContact O-N 3.06Å; T752-A755 PolarHBondContact O-N 3.37Å
756	T	87.2	Confident	88.6	Confident	55 Å²	55	43 Å²	43	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-88.2	-10	-178.7	57	0	0	0	0	115.1	T752 S753 L754 Q758 V759 G761	T752-T756 WeakPolarHBondContact O-CG2 3.1Å; T752-T756 PolarHBondContact O-N 3.15Å; T752-T756 VanDerWaalsContact O-N 3.07Å; T752-T756 PolarHBondContact O-OG1 3.32Å; S753-T756 PolarHBondContact O-N 3.23Å; S753-T756 PolarHBondContact O-OG1 3.12Å; L754-T756 VanDerWaalsContact C-N 3.34Å; T756-Q758 PolarHBondContact O-N 3.49Å; T756-Q758 VanDerWaalsContact O-N 3.11Å; T756-V759 WeakPolarHBondContact O-CG2 3.22Å; T756-V759 PolarHBondContact O-N 2.9Å; T756-G761 WeakPolarHBondContact O-CA 3.5Å; T756-G761 PolarHBondContact O-N 3.13Å
757	L	85.9	Confident	88.5	Confident	7 Å²	7	45 Å²	45	4%	0.037	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-50.1	-39	179.8	-87.1	176.5	0	0	0	114.4	Y718 T722 P724 F749 S753 L754 V759	Y718-L757 HydrophobicContact CD1-CD1 4.14Å; Y718-L757 HydrophobicContact CE1-CD1 3.8Å; T722-L757 HydrophobicContact CG2-CB 4.44Å; T722-L757 VanDerWaalsContact CG2-O 3.32Å; T722-L757 WeakPolarHBondContact CG2-O 3.4Å; P724-L757 HydrophobicContact CB-CD2 3.85Å; F749-L757 HydrophobicContact CE1-CD1 3.93Å; F749-L757 HydrophobicContact CE1-CD2 3.97Å; F749-L757 HydrophobicContact CE1-CG 4.17Å; F749-L757 HydrophobicContact CZ-CD1 4.06Å; F749-L757 HydrophobicContact CZ-CD2 4.41Å; S753-L757 WeakPolarHBondContact O-CG 3.24Å; S753-L757 PolarHBondContact O-N 2.95Å; L754-L757 HydrophobicContact CD2-CD1 4.05Å; L757-V759 VanDerWaalsContact C-N 3.31Å
758	Q	81.8	Confident	88.4	Confident	125 Å²	125	46.4 Å²	46.4	58%	0.584	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-78.7	-13.6	-177	-63	-66	-24.9	0	0	113.2	C719 T756	C719-Q758 PolarHBondContact O-NE2 3.07Å; C719-Q758 VanDerWaalsContact O-NE2 3.1Å; C719-Q758 PolarHBondContact SG-NE2 3.17Å; T756-Q758 PolarHBondContact O-N 3.49Å; T756-Q758 VanDerWaalsContact O-N 3.11Å
759	V	81.9	Confident	88.4	Confident	127 Å²	127	46.5 Å²	46.5	77%	0.77	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-107.7	24.5	175.4	-61.9	0	0	0	0	112.4	T756 L757	T756-V759 WeakPolarHBondContact O-CG2 3.22Å; T756-V759 PolarHBondContact O-N 2.9Å; L757-V759 VanDerWaalsContact C-N 3.31Å
760	G	81.1	Confident	88.5	Confident	65 Å²	65	51.6 Å²	51.6	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	5.4	177.7	0	0	0	0	0	115.4
761	G	86.1	Confident	88.8	Confident	16 Å²	16	54.1 Å²	54.1	17%	0.165	30%	0.304	C	S	.	.			trans	-64.3	159.2	169.2	0	0	0	0	0	112.6	T756	T756-G761 WeakPolarHBondContact O-CA 3.5Å; T756-G761 PolarHBondContact O-N 3.13Å
762	H	90.2	Very high	89.4	Confident	95 Å²	95	52.8 Å²	52.8	44%	0.44	30%	0.297	S	S	.	.			trans	-126.8	167.5	176.7	61.1	73.8	0	0	0	111
763	G	90.9	Very high	90	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	28%	0.278	C	S	.	.			trans	-85.3	179.2	171.2	0	0	0	0	0	112.8	P724	P724-G763 PolarHBondContact O-N 3.24Å
764	E	91.5	Very high	90.3	Very high	85 Å²	85	49.1 Å²	49.1	40%	0.397	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121	171.9	-71	-58.7	153.7	0	0	110.6	M705 I747 G748 L766	M705-E764 HydrophobicContact CE-CB 3.88Å; M705-E764 HydrophobicContact CE-CG 3.98Å; M705-E764 HydrophobicContact SD-CG 4.28Å; I747-E764 WeakPolarHBondContact CA-O 3.35Å; G748-E764 PolarHBondContact N-O 3.1Å; G748-E764 PolarHBondContact O-N 3.5Å; E764-L766 HydrophobicContact CB-CD2 4.08Å; E764-L766 PolarHBondContact O-N 2.76Å
765	R	92.4	Very high	90.8	Very high	46 Å²	46	47.8 Å²	47.8	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	107.8	176	-65.3	-175.6	-84.4	150.4	3.9	109	K701 W725 S731 F734	K701-R765 PolarHBondContact NZ-O 2.73Å; K701-R765 VanDerWaalsContact NZ-O 3.13Å; W725-R765 HydrophobicContact CD2-CG 3.82Å; W725-R765 HydrophobicContact CE3-CB 4.32Å; W725-R765 HydrophobicContact CE3-CG 3.66Å; W725-R765 HydrophobicContact CH2-CB 3.91Å; W725-R765 HydrophobicContact CH2-CG 4.03Å; W725-R765 HydrophobicContact CZ2-CB 4.34Å; W725-R765 HydrophobicContact CZ2-CG 4.17Å; W725-R765 HydrophobicContact CZ3-CB 3.9Å; W725-R765 HydrophobicContact CZ3-CG 3.77Å; W725-R765 WeakPolarHBondContact O-CD 3.32Å; S731-R765 PolarHBondContact OG-NH1 3.02Å; S731-R765 PolarHBondContact OG-NH2 3.48Å; F734-R765 HydrophobicContact CD2-CB 4.26Å; F734-R765 HydrophobicContact CE2-CB 3.9Å; F734-R765 HydrophobicContact CZ-CB 4.45Å
766	L	92.6	Very high	91.3	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-50.7	-175.6	-54.3	-173.9	0	0	0	112	L698 K701 V702 M705 L707 L710 V746 E764	L698-L766 HydrophobicContact CD1-CB 4.4Å; K701-L766 HydrophobicContact CD-CD2 4.24Å; K701-L766 HydrophobicContact CG-CD2 4.47Å; V702-L766 HydrophobicContact CG2-CD1 4.19Å; M705-L766 HydrophobicContact CE-CD2 3.44Å; M705-L766 VanDerWaalsContact CE-CD2 3.44Å; L707-L766 HydrophobicContact CD1-CD1 3.85Å; L707-L766 HydrophobicContact CD1-CD2 4.31Å; L710-L766 HydrophobicContact CD1-CD1 3.51Å; V746-L766 HydrophobicContact CB-CB 4.33Å; V746-L766 HydrophobicContact CG1-CB 4.18Å; V746-L766 HydrophobicContact CG1-CD1 4.25Å; V746-L766 VanDerWaalsContact O-CB 3.3Å; V746-L766 WeakPolarHBondContact O-CB 3.4Å; V746-L766 PolarHBondContact O-N 2.92Å; E764-L766 HydrophobicContact CB-CD2 4.08Å; E764-L766 PolarHBondContact O-N 2.76Å
767	H	93.5	Very high	91.5	Very high	40 Å²	40	45.5 Å²	45.5	19%	0.185	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	160.2	-179.8	-144.1	-80.6	0	0	0	110.2	C693 L698 W725 V746	C693-H767 HydrophobicContact CB-CB 4.26Å; L698-H767 HydrophobicContact CD1-CB 3.86Å; W725-H767 WeakPolarHBondContact CH2-O 3.48Å; V746-H767 HydrophobicContact CB-CB 4.29Å; V746-H767 HydrophobicContact CG2-CB 4.29Å; V746-H767 PolarHBondContact N-O 3.16Å; V746-H767 PolarHBondContact O-N 3.4Å
768	Q	93.7	Very high	91.7	Very high	31 Å²	31	48.8 Å²	48.8	15%	0.145	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.7	157.9	-170.3	-176.5	47.2	0	0	107	F734 C743 I744 E745	F734-Q768 HydrophobicContact CD1-CB 4.39Å; C743-Q768 HydrophobicContact CB-CG 3.77Å; I744-Q768 CarbonylContact O-C 3.5Å; I744-Q768 VanDerWaalsContact O-CA 3.31Å; I744-Q768 WeakPolarHBondContact O-CA 3.27Å; E745-Q768 PolarHBondContact OE1-NE2 3.12Å
769	C	94.5	Very high	92.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	167.7	-165.4	55.7	0	0	0	0	114.8	C693 D694 C743 I744 V746 V772	C693-C769 HydrophobicContact CB-CB 3.93Å; D694-C769 HydrophobicContact CB-CB 4.42Å; D694-C769 WeakPolarHBondContact OD2-CA 3.19Å; D694-C769 VanDerWaalsContact OD2-CB 3.3Å; D694-C769 WeakPolarHBondContact OD2-CB 3.35Å; C743-C769 CarbonylContact C-O 3.58Å; C743-C769 WeakPolarHBondContact CA-O 3.2Å; I744-C769 PolarHBondContact N-O 2.77Å; I744-C769 PolarHBondContact O-N 2.84Å; V746-C769 WeakPolarHBondContact CG2-SG 3.43Å; C769-V772 VanDerWaalsContact SG-CG2 3.55Å
770	K	95.4	Very high	92.6	Very high	108 Å²	108	38.1 Å²	38.1	47%	0.47	20%	0.199	S	C	.	.	S	Bend	trans	-112.5	-20.7	-177	-54.2	-165.4	178.6	-79	0	114.7	W604 D694 D741 G742 C743	W604-K770 WeakPolarHBondContact CZ3-O 3.22Å; D694-K770 VanDerWaalsContact CG-N 3.35Å; D694-K770 WeakPolarHBondContact OD1-CA 3.39Å; D694-K770 PolarHBondContact OD1-N 3.35Å; D694-K770 PolarHBondContact OD2-N 3.39Å; D741-K770 PolarHBondContact O-NZ 3.16Å; G742-K770 WeakPolarHBondContact O-CG 3.39Å; G742-K770 PolarHBondContact O-NZ 2.71Å; C743-K770 PolarHBondContact SG-NZ 2.57Å
771	E	96.4	Very high	93.1	Very high	96 Å²	96	36.4 Å²	36.4	45%	0.449	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.8	169.4	-176	165.7	-155.4	0	0	110.6	C693 D694 I798	C693-E771 WeakPolarHBondContact CA-O 3.4Å; D694-E771 PolarHBondContact N-O 3.29Å; D694-E771 PolarHBondContact OD1-N 3.12Å; E771-I798 WeakPolarHBondContact CA-O 3.46Å
772	V	97.8	Very high	93.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.3	173.5	-177.7	0	0	0	0	109.4	V692 F712 C769 R797 I798	V692-V772 CarbonylContact O-C 3.55Å; V692-V772 WeakPolarHBondContact O-CA 3.37Å; F712-V772 HydrophobicContact CD1-CG1 4.42Å; F712-V772 HydrophobicContact CD1-CG2 4.15Å; F712-V772 HydrophobicContact CE1-CB 4.32Å; F712-V772 HydrophobicContact CE1-CG1 3.59Å; F712-V772 HydrophobicContact CE1-CG2 3.97Å; F712-V772 HydrophobicContact CZ-CG1 3.92Å; C769-V772 VanDerWaalsContact SG-CG2 3.55Å; V772-R797 CarbonylContact O-C 3.57Å; V772-R797 WeakPolarHBondContact O-CA 3.07Å; V772-I798 HydrophobicContact CB-CB 4.02Å; V772-I798 HydrophobicContact CB-CD1 4.1Å; V772-I798 HydrophobicContact CB-CG1 4.05Å; V772-I798 HydrophobicContact CG1-CD1 4.33Å; V772-I798 PolarHBondContact N-O 3.23Å; V772-I798 PolarHBondContact O-N 3.4Å
773	T	97.3	Very high	93.7	Very high	37 Å²	37	31.1 Å²	31.1	23%	0.227	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	111.1	162.4	-64	0	0	0	0	109.4	V692 I795	V692-T773 PolarHBondContact N-O 2.95Å; V692-T773 PolarHBondContact O-N 3.18Å; T773-I795 HydrophobicContact CG2-CG2 4.08Å
774	L	96.4	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.4	174.2	169	65.3	0	0	0	108.4	F636 L638 I689 R690 V691 F712 T776 I795 I796	F636-L774 HydrophobicContact CE1-CD2 4.04Å; F636-L774 HydrophobicContact CZ-CD2 4.39Å; L638-L774 HydrophobicContact CD1-CD1 4.29Å; L638-L774 HydrophobicContact CD1-CD2 3.95Å; L638-L774 HydrophobicContact CD2-CD2 3.78Å; I689-L774 HydrophobicContact CB-CD1 4.15Å; I689-L774 HydrophobicContact CG2-CD1 4.43Å; R690-L774 WeakPolarHBondContact O-CA 3.3Å; V691-L774 HydrophobicContact CG2-CD1 4Å; F712-L774 HydrophobicContact CE2-CD2 4.27Å; L774-T776 HydrophobicContact CD1-CG2 4.49Å; L774-T776 HydrophobicContact CG-CG2 4.37Å; L774-I795 CarbonylContact O-C 3.57Å; L774-I795 WeakPolarHBondContact O-CA 3.37Å; L774-I796 HydrophobicContact CB-CB 4.37Å; L774-I796 HydrophobicContact CD2-CD1 4.24Å; L774-I796 PolarHBondContact N-O 3.19Å; L774-I796 PolarHBondContact O-N 3.06Å
775	T	95.9	Very high	93.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.3	170.9	-50.2	0	0	0	0	109.3	N611 I689 R690 F777 I795	N611-T775 VanDerWaalsContact ND2-CG2 3.34Å; N611-T775 WeakPolarHBondContact ND2-CG2 3.38Å; I689-T775 CarbonylContact C-O 3.55Å; I689-T775 VanDerWaalsContact CA-O 3.3Å; I689-T775 WeakPolarHBondContact CA-O 3.25Å; R690-T775 PolarHBondContact N-O 3.13Å; R690-T775 PolarHBondContact NE-OG1 3.39Å; R690-T775 PolarHBondContact NH2-OG1 2.97Å; R690-T775 PolarHBondContact O-N 2.89Å; T775-F777 HydrophobicContact CG2-CE1 4.08Å; T775-F777 HydrophobicContact CG2-CE2 4.16Å; T775-F777 HydrophobicContact CG2-CZ 3.78Å; T775-I795 HydrophobicContact CG2-CG1 4.01Å
776	T	94.1	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.2	172.1	68	0	0	0	0	111.4	N611 I689 L774 I780 M782 S794	N611-T776 PolarHBondContact ND2-O 3.3Å; I689-T776 HydrophobicContact CG2-CG2 4.01Å; L774-T776 HydrophobicContact CD1-CG2 4.49Å; L774-T776 HydrophobicContact CG-CG2 4.37Å; T776-I780 HydrophobicContact CG2-CD1 4.05Å; T776-M782 HydrophobicContact CG2-CE 3.63Å; T776-S794 PolarHBondContact N-O 3.04Å; T776-S794 PolarHBondContact O-N 3.26Å; T776-S794 PolarHBondContact OG1-N 3.06Å; T776-S794 PolarHBondContact OG1-O 2.84Å
777	F	92	Very high	93.6	Very high	68 Å²	68	29.6 Å²	29.6	30%	0.298	15%	0.149	S	C	.	.	S	Bend	trans	-105.9	-1.5	-179.8	-60.6	-79.9	0	0	0	113.2	N611 E613 H688 R690 T775	N611-F777 WeakPolarHBondContact ND2-CD1 3.41Å; E613-F777 HydrophobicContact CB-CE1 4.32Å; H688-F777 PolarHBondContact O-N 3.39Å; R690-F777 HydrophobicContact CB-CE2 4.1Å; T775-F777 HydrophobicContact CG2-CE1 4.08Å; T775-F777 HydrophobicContact CG2-CE2 4.16Å; T775-F777 HydrophobicContact CG2-CZ 3.78Å
778	K	90.3	Very high	93.6	Very high	76 Å²	76	28.3 Å²	28.3	33%	0.33	14%	0.144	S	C	.	.	S	Bend	trans	-140.9	158.1	178.6	-175.2	158.9	-176.1	78.1	0	110.2	E617 H688 I780	E617-K778 IonicContact OE1-NZ 2.76Å; E617-K778 PolarHBondContact OE1-NZ 2.79Å; E617-K778 WeakPolarHBondContact OE2-CG 3.46Å; E617-K778 IonicContact OE2-NZ 3.57Å; E617-K778 PolarHBondContact OE2-NZ 3.28Å; H688-K778 HydrophobicContact CB-CB 4.16Å; K778-I780 WeakPolarHBondContact O-CG1 3.32Å; K778-I780 PolarHBondContact O-N 2.7Å
779	S	90.2	Very high	93.6	Very high	18 Å²	18	27.4 Å²	27.4	13%	0.126	14%	0.141	C	C	.	.			trans	-64.6	122.4	171.4	-162.9	0	0	0	0	110.2	Q623 L791	Q623-S779 PolarHBondContact OE1-OG 3.29Å; Q623-S779 VanDerWaalsContact OE1-OG 3.09Å; S779-L791 CarbonylContact C-O 3.6Å; S779-L791 VanDerWaalsContact CA-O 3.29Å; S779-L791 WeakPolarHBondContact CA-O 3.31Å; S779-L791 PolarHBondContact OG-O 2.86Å
780	I	91.4	Very high	93.5	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.051	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.8	-167.8	-75.6	170.1	0	0	0	110.7	L638 L685 H688 I689 T776 K778 M782 L791	L638-I780 HydrophobicContact CB-CG2 4.11Å; L638-I780 HydrophobicContact CD1-CG2 4.25Å; L685-I780 HydrophobicContact CD1-CD1 3.99Å; L685-I780 HydrophobicContact CD1-CG1 4.48Å; L685-I780 HydrophobicContact CD1-CG2 4.12Å; H688-I780 HydrophobicContact CB-CD1 4.4Å; I689-I780 HydrophobicContact CG2-CD1 3.73Å; T776-I780 HydrophobicContact CG2-CD1 4.05Å; K778-I780 WeakPolarHBondContact O-CG1 3.32Å; K778-I780 PolarHBondContact O-N 2.7Å; I780-M782 HydrophobicContact CB-CE 4.13Å; I780-M782 HydrophobicContact CG2-CE 4.08Å; I780-M782 HydrophobicContact CG2-CG 4.26Å; I780-M782 PolarHBondContact O-N 3.22Å; I780-L791 PolarHBondContact N-O 3.16Å; I780-L791 PolarHBondContact O-N 3.13Å
781	P	93.1	Very high	93.4	Very high	29 Å²	29	24.4 Å²	24.4	19%	0.188	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.4	168	-22.3	34.6	0	0	0	112.1	L638 G639 A642 H643 C789	L638-P781 WeakPolarHBondContact CA-O 3.43Å; G639-P781 PolarHBondContact N-O 2.79Å; G639-P781 VanDerWaalsContact N-O 3.12Å; A642-P781 HydrophobicContact CB-CB 4.17Å; A642-P781 WeakPolarHBondContact CB-O 3.46Å; H643-P781 HydrophobicContact CB-CB 4.12Å; H643-P781 HydrophobicContact CB-CG 4.13Å; P781-C789 WeakPolarHBondContact CA-O 3.19Å
782	M	94.8	Very high	93.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.8	178	-51.9	-170.3	-176.7	0	0	110.6	L627 F636 S637 L638 A642 T776 I780 P788 C789 L791 I796	L627-M782 HydrophobicContact CD2-CB 4.22Å; L627-M782 HydrophobicContact CD2-SD 4.29Å; F636-M782 HydrophobicContact CE2-CB 4.02Å; F636-M782 HydrophobicContact CE2-SD 4.16Å; F636-M782 HydrophobicContact CZ-SD 3.85Å; S637-M782 CarbonylContact O-C 3.54Å; S637-M782 VanDerWaalsContact O-CA 3.28Å; S637-M782 WeakPolarHBondContact O-CA 3.42Å; L638-M782 HydrophobicContact CB-CB 4.46Å; L638-M782 HydrophobicContact CB-CG 3.88Å; A642-M782 VanDerWaalsContact CB-CA 3.44Å; T776-M782 HydrophobicContact CG2-CE 3.63Å; I780-M782 HydrophobicContact CB-CE 4.13Å; I780-M782 HydrophobicContact CG2-CE 4.08Å; I780-M782 HydrophobicContact CG2-CG 4.26Å; I780-M782 PolarHBondContact O-N 3.22Å; M782-P788 CarbonylContact O-C 3.57Å; M782-P788 WeakPolarHBondContact O-CA 3.32Å; M782-C789 PolarHBondContact N-O 3.36Å; M782-C789 PolarHBondContact O-N 2.81Å; M782-C789 VanDerWaalsContact O-O 3.09Å; M782-L791 HydrophobicContact CE-CB 4.14Å; M782-L791 HydrophobicContact CE-CD2 3.92Å; M782-L791 HydrophobicContact CG-CB 4.32Å; M782-L791 HydrophobicContact SD-CB 3.96Å; M782-L791 HydrophobicContact SD-CD2 3.64Å; M782-L791 HydrophobicContact SD-CG 4.45Å; M782-I796 HydrophobicContact CE-CD1 3.87Å; M782-I796 HydrophobicContact SD-CD1 3.47Å; M782-I796 WeakPolarHBondContact SD-CD1 3.38Å
783	Q	93.9	Very high	93	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.7	173.8	65.6	82.5	0	0	0	112.8	F636 S637 D641 A642 T645 E787 P788	F636-Q783 WeakPolarHBondContact CA-O 3.32Å; F636-Q783 WeakPolarHBondContact CD2-O 3.31Å; S637-Q783 PolarHBondContact N-O 3.49Å; S637-Q783 PolarHBondContact O-N 3.26Å; S637-Q783 WeakPolarHBondContact OG-CG 3.18Å; S637-Q783 PolarHBondContact OG-NE2 3.02Å; D641-Q783 PolarHBondContact OD2-NE2 2.61Å; A642-Q783 HydrophobicContact CB-CB 4.22Å; A642-Q783 HydrophobicContact CB-CG 3.92Å; T645-Q783 HydrophobicContact CG2-CB 4.15Å; T645-Q783 HydrophobicContact CG2-CG 4.22Å; Q783-E787 WeakPolarHBondContact CA-O 3.44Å; Q783-P788 HydrophobicContact CB-CB 3.93Å
784	V	94.5	Very high	92.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.6	-174.8	-170.8	0	0	0	0	108.4	L606 L627 I629 F632 F636 G786 E787	L606-V784 HydrophobicContact CD1-CB 4.4Å; L606-V784 HydrophobicContact CD1-CG1 3.7Å; L606-V784 HydrophobicContact CD1-CG2 3.75Å; L627-V784 HydrophobicContact CD1-CG2 4.3Å; L627-V784 HydrophobicContact CD2-CG2 4.21Å; I629-V784 HydrophobicContact CB-CG1 4.18Å; F632-V784 HydrophobicContact CB-CG1 3.85Å; F636-V784 HydrophobicContact CD2-CG2 3.95Å; F636-V784 HydrophobicContact CE2-CG2 4.34Å; V784-G786 PolarHBondContact O-N 2.83Å; V784-E787 PolarHBondContact N-O 3.34Å; V784-E787 PolarHBondContact O-N 3.43Å
785	D	92.3	Very high	92.8	Very high	16 Å²	16	21.3 Å²	21.3	9%	0.086	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	27.6	-174.3	-74.1	-12.7	0	0	0	114.8	F632 N633 N634 Y635	F632-D785 WeakPolarHBondContact CA-OD2 3.27Å; N633-D785 WeakPolarHBondContact CB-OD2 3.34Å; N633-D785 PolarHBondContact N-OD1 2.97Å; N633-D785 PolarHBondContact N-OD2 3.2Å; N633-D785 PolarHBondContact ND2-OD2 3.22Å; N634-D785 WeakPolarHBondContact CA-OD1 3.41Å; N634-D785 WeakPolarHBondContact CB-OD1 3.48Å; N634-D785 PolarHBondContact N-OD1 2.94Å; Y635-D785 PolarHBondContact N-OD1 2.91Å; Y635-D785 PolarHBondContact O-N 2.99Å
786	G	88.3	Confident	92.9	Very high	25 Å²	25	21.3 Å²	21.3	26%	0.258	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	5.8	-177.5	0	0	0	0	0	116.2	V784 P788	V784-G786 PolarHBondContact O-N 2.83Å; G786-P788 WeakPolarHBondContact O-CD 3.14Å
787	E	90.6	Very high	93	Very high	65 Å²	65	25.9 Å²	25.9	30%	0.304	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.7	167.4	-56.8	-58.7	163.7	0	0	109.9	P628 I629 H649 R652 Q783 V784	P628-E787 HydrophobicContact CG-CB 4.22Å; P628-E787 WeakPolarHBondContact CG-O 3.4Å; I629-E787 HydrophobicContact CD1-CB 4.39Å; I629-E787 HydrophobicContact CD1-CG 4.11Å; H649-E787 IonicContact NE2-OE2 3.85Å; R652-E787 IonicContact NH2-OE2 3.83Å; R652-E787 PolarHBondContact NH2-OE2 3.39Å; Q783-E787 WeakPolarHBondContact CA-O 3.44Å; V784-E787 PolarHBondContact N-O 3.34Å; V784-E787 PolarHBondContact O-N 3.43Å
788	P	93	Very high	93.3	Very high	12 Å²	12	22.6 Å²	22.6	8%	0.078	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	161.5	-174.8	35.6	-40.6	0	0	0	115	T645 L646 H649 M782 Q783 G786	T645-P788 HydrophobicContact CG2-CB 3.91Å; T645-P788 HydrophobicContact CG2-CG 3.89Å; L646-P788 HydrophobicContact CB-CB 4.01Å; L646-P788 HydrophobicContact CB-CG 4.39Å; L646-P788 HydrophobicContact CD1-CB 4.15Å; L646-P788 HydrophobicContact CD1-CG 4.17Å; H649-P788 HydrophobicContact CB-CG 3.62Å; M782-P788 CarbonylContact O-C 3.57Å; M782-P788 WeakPolarHBondContact O-CA 3.32Å; Q783-P788 HydrophobicContact CB-CB 3.93Å; G786-P788 WeakPolarHBondContact O-CD 3.14Å
789	C	93.3	Very high	93.6	Very high	13 Å²	13	21 Å²	21	9%	0.088	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.9	167.8	68.7	0	0	0	0	111.7	T624 P781 M782	T624-C789 HydrophobicContact CG2-CB 3.82Å; P781-C789 WeakPolarHBondContact CA-O 3.19Å; M782-C789 PolarHBondContact N-O 3.36Å; M782-C789 PolarHBondContact O-N 2.81Å; M782-C789 VanDerWaalsContact O-O 3.09Å
790	K	92.5	Very high	93.9	Very high	45 Å²	45	23.7 Å²	23.7	20%	0.196	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	98.8	168.9	-175.5	174.4	174.2	-178.9	0	109	D620 Q623 T624 L646	D620-K790 IonicContact OD1-NZ 2.66Å; D620-K790 VanDerWaalsContact OD2-CE 3.31Å; D620-K790 WeakPolarHBondContact OD2-CE 3.43Å; D620-K790 IonicContact OD2-NZ 2.7Å; D620-K790 PolarHBondContact OD2-NZ 2.94Å; Q623-K790 WeakPolarHBondContact CA-O 3.38Å; T624-K790 WeakPolarHBondContact CG2-O 3.41Å; T624-K790 PolarHBondContact N-O 3.15Å; L646-K790 HydrophobicContact CD2-CB 4.33Å
791	L	92.8	Very high	94	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.4	-172.8	-167	79.4	0	0	0	111.3	V608 T624 L627 S779 I780 M782 I796	V608-L791 HydrophobicContact CG1-CD2 4.14Å; T624-L791 HydrophobicContact CG2-CD1 4.44Å; L627-L791 HydrophobicContact CD2-CD1 4.18Å; L627-L791 HydrophobicContact CD2-CD2 4.14Å; L627-L791 HydrophobicContact CG-CD1 4.21Å; L627-L791 HydrophobicContact CG-CD2 4.31Å; S779-L791 CarbonylContact C-O 3.6Å; S779-L791 VanDerWaalsContact CA-O 3.29Å; S779-L791 WeakPolarHBondContact CA-O 3.31Å; S779-L791 PolarHBondContact OG-O 2.86Å; I780-L791 PolarHBondContact N-O 3.16Å; I780-L791 PolarHBondContact O-N 3.13Å; M782-L791 HydrophobicContact CE-CB 4.14Å; M782-L791 HydrophobicContact CE-CD2 3.92Å; M782-L791 HydrophobicContact CG-CB 4.32Å; M782-L791 HydrophobicContact SD-CB 3.96Å; M782-L791 HydrophobicContact SD-CD2 3.64Å; M782-L791 HydrophobicContact SD-CG 4.45Å; L791-I796 HydrophobicContact CD2-CD1 3.66Å; L791-I796 HydrophobicContact CD2-CG1 4.3Å
792	A	92.3	Very high	94	Very high	5 Å²	5	28 Å²	28	4%	0.041	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-61.4	161.5	171.9	0	0	0	0	0	112.5	Q623 T624 S794	Q623-A792 HydrophobicContact CG-CB 4.39Å; T624-A792 PolarHBondContact O-N 3.35Å; A792-S794 WeakPolarHBondContact O-CB 3.44Å; A792-S794 PolarHBondContact O-N 2.87Å; A792-S794 VanDerWaalsContact O-N 3.13Å; A792-S794 PolarHBondContact O-OG 2.95Å
793	P	93.3	Very high	94	Very high	26 Å²	26	31.9 Å²	31.9	17%	0.169	16%	0.159	C	C	.	.	S	Bend	trans	-51.3	118.7	-179.8	-25.8	33.2	0	0	0	113	N611 A614	N611-P793 HydrophobicContact CB-CB 4.3Å; N611-P793 WeakPolarHBondContact CB-O 3.47Å; N611-P793 PolarHBondContact N-O 3.16Å; A614-P793 HydrophobicContact CB-CB 3.37Å; A614-P793 HydrophobicContact CB-CG 3.96Å
794	S	94.7	Very high	94.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.1	-166.4	-63.8	0	0	0	0	112.7	E609 T776 A792	E609-S794 CarbonylContact O-C 3.58Å; E609-S794 WeakPolarHBondContact O-CA 3.34Å; T776-S794 PolarHBondContact N-O 3.04Å; T776-S794 PolarHBondContact O-N 3.26Å; T776-S794 PolarHBondContact OG1-N 3.06Å; T776-S794 PolarHBondContact OG1-O 2.84Å; A792-S794 WeakPolarHBondContact O-CB 3.44Å; A792-S794 PolarHBondContact O-N 2.87Å; A792-S794 VanDerWaalsContact O-N 3.13Å; A792-S794 PolarHBondContact O-OG 2.95Å
795	I	96.2	Very high	94.2	Very high	36 Å²	36	33.6 Å²	33.6	19%	0.185	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.7	161.5	-60.2	168	0	0	0	106.7	E609 N611 T773 L774 T775 R797	E609-I795 HydrophobicContact CB-CB 4.43Å; E609-I795 PolarHBondContact N-O 2.84Å; E609-I795 PolarHBondContact O-N 2.68Å; N611-I795 HydrophobicContact CB-CG1 4.38Å; T773-I795 HydrophobicContact CG2-CG2 4.08Å; L774-I795 CarbonylContact O-C 3.57Å; L774-I795 WeakPolarHBondContact O-CA 3.37Å; T775-I795 HydrophobicContact CG2-CG1 4.01Å; I795-R797 HydrophobicContact CG2-CG 4.45Å
796	I	96.9	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.1	-179.9	-53.8	177.2	0	0	0	107.7	L606 N607 V608 F636 L774 M782 L791	L606-I796 HydrophobicContact CD2-CG2 4.37Å; N607-I796 CarbonylContact O-C 3.54Å; N607-I796 WeakPolarHBondContact O-CA 3.17Å; V608-I796 HydrophobicContact CG2-CG1 4.44Å; F636-I796 HydrophobicContact CE1-CG2 4.43Å; F636-I796 HydrophobicContact CZ-CD1 3.94Å; F636-I796 HydrophobicContact CZ-CG2 4.49Å; L774-I796 HydrophobicContact CB-CB 4.37Å; L774-I796 HydrophobicContact CD2-CD1 4.24Å; L774-I796 PolarHBondContact N-O 3.19Å; L774-I796 PolarHBondContact O-N 3.06Å; M782-I796 HydrophobicContact CE-CD1 3.87Å; M782-I796 HydrophobicContact SD-CD1 3.47Å; M782-I796 WeakPolarHBondContact SD-CD1 3.38Å; L791-I796 HydrophobicContact CD2-CD1 3.66Å; L791-I796 HydrophobicContact CD2-CG1 4.3Å
797	R	97.1	Very high	94.9	Very high	96 Å²	96	31.7 Å²	31.7	36%	0.362	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.2	176	-47.2	179.3	-166.1	-123.6	5.7	109.6	N607 E609 V772 I795	N607-R797 HydrophobicContact CB-CB 4.28Å; N607-R797 PolarHBondContact N-O 3.24Å; N607-R797 PolarHBondContact O-N 2.81Å; E609-R797 IonicContact OE1-NH2 3.86Å; E609-R797 IonicContact OE2-CZ 3.22Å; E609-R797 IonicContact OE2-NE 2.84Å; E609-R797 PolarHBondContact OE2-NE 2.86Å; E609-R797 IonicContact OE2-NH2 2.72Å; E609-R797 PolarHBondContact OE2-NH2 3.46Å; V772-R797 CarbonylContact O-C 3.57Å; V772-R797 WeakPolarHBondContact O-CA 3.07Å; I795-R797 HydrophobicContact CG2-CG 4.45Å
798	I	97.7	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.5	179.1	-41.1	-176.7	0	0	0	108.8	W604 N605 L606 F632 F636 F712 I744 E771 V772	W604-I798 HydrophobicContact CB-CG2 4.15Å; W604-I798 HydrophobicContact CE3-CG2 4.3Å; N605-I798 WeakPolarHBondContact O-CA 3.48Å; L606-I798 HydrophobicContact CD2-CB 4.43Å; L606-I798 HydrophobicContact CD2-CD1 4.06Å; L606-I798 HydrophobicContact CD2-CG1 3.79Å; L606-I798 HydrophobicContact CD2-CG2 4.12Å; F632-I798 HydrophobicContact CE1-CG2 3.69Å; F632-I798 HydrophobicContact CZ-CG2 4.15Å; F636-I798 HydrophobicContact CD1-CD1 3.76Å; F636-I798 HydrophobicContact CE1-CD1 4.14Å; F712-I798 HydrophobicContact CB-CD1 4.34Å; F712-I798 HydrophobicContact CD1-CD1 4.06Å; F712-I798 HydrophobicContact CD2-CD1 4.07Å; F712-I798 HydrophobicContact CE1-CD1 4.41Å; F712-I798 HydrophobicContact CE2-CD1 4.39Å; F712-I798 HydrophobicContact CG-CD1 3.88Å; I744-I798 HydrophobicContact CD1-CB 4.42Å; I744-I798 HydrophobicContact CD1-CG2 3.47Å; I744-I798 VanDerWaalsContact CD1-CG2 3.47Å; E771-I798 WeakPolarHBondContact CA-O 3.46Å; V772-I798 HydrophobicContact CB-CB 4.02Å; V772-I798 HydrophobicContact CB-CD1 4.1Å; V772-I798 HydrophobicContact CB-CG1 4.05Å; V772-I798 HydrophobicContact CG1-CD1 4.33Å; V772-I798 PolarHBondContact N-O 3.23Å; V772-I798 PolarHBondContact O-N 3.4Å
799	N	96.3	Very high	95	Very high	43 Å²	43	31.7 Å²	31.7	23%	0.23	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	157.6	177.6	56.1	62.8	0	0	0	112	W604 N605 R801	W604-N799 WeakPolarHBondContact CA-O 3.36Å; N605-N799 PolarHBondContact N-O 2.91Å; N605-N799 PolarHBondContact ND2-OD1 3.48Å; N799-R801 PolarHBondContact O-N 2.98Å
800	L	96.1	Very high	94.4	Very high	73 Å²	73	32.1 Å²	32.1	38%	0.382	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122.5	-177.5	-175.8	65.5	0	0	0	111	D602 W604	D602-L800 HydrophobicContact CB-CD1 3.82Å; D602-L800 WeakPolarHBondContact OD1-CD1 3.07Å; W604-L800 HydrophobicContact CD2-CD1 4.27Å; W604-L800 HydrophobicContact CE3-CB 4.1Å; W604-L800 VanDerWaalsContact CE3-N 3.29Å; W604-L800 HydrophobicContact CH2-CB 3.9Å; W604-L800 HydrophobicContact CH2-CD1 4.07Å; W604-L800 HydrophobicContact CH2-CG 4.49Å; W604-L800 HydrophobicContact CZ2-CB 4.43Å; W604-L800 HydrophobicContact CZ2-CD1 3.73Å; W604-L800 HydrophobicContact CZ3-CB 3.73Å; W604-L800 HydrophobicContact CZ3-CD1 4.47Å; W604-L800 VanDerWaalsContact CZ3-N 3.34Å
801	R	93.8	Very high	93.1	Very high	85 Å²	85	38.1 Å²	38.1	32%	0.321	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-60.6	-179.1	-177.4	-176.2	-176.5	103.7	-20.4	112	D550 R603 N605 D630 N799	D550-R801 IonicContact OD2-CZ 3.69Å; D550-R801 IonicContact OD2-NE 2.74Å; D550-R801 PolarHBondContact OD2-NE 2.93Å; D550-R801 IonicContact OD2-NH2 2.86Å; D550-R801 PolarHBondContact OD2-NH2 2.96Å; R603-R801 WeakPolarHBondContact O-CA 3.43Å; R603-R801 VanDerWaalsContact O-CB 3.24Å; R603-R801 WeakPolarHBondContact O-CB 3.39Å; R603-R801 PolarHBondContact O-N 2.82Å; N605-R801 WeakPolarHBondContact OD1-CB 3.33Å; N605-R801 VanDerWaalsContact OD1-CD 3.25Å; N605-R801 WeakPolarHBondContact OD1-CD 3.38Å; N605-R801 WeakPolarHBondContact OD1-CG 3.27Å; N605-R801 PolarHBondContact OD1-NH1 3Å; D630-R801 IonicContact OD2-CZ 3.94Å; D630-R801 IonicContact OD2-NH1 3.22Å; D630-R801 PolarHBondContact OD2-NH1 2.99Å; D630-R801 IonicContact OD2-NH2 2.9Å; N799-R801 PolarHBondContact O-N 2.98Å
802	N	93.8	Very high	91	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.241	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	169.5	179.9	62.6	-2.2	0	0	0	110.2	D550 R603	D550-N802 PolarHBondContact OD1-ND2 3.29Å; R603-N802 PolarHBondContact N-O 2.67Å; R603-N802 PolarHBondContact NH1-OD1 2.59Å
803	Q	95	Very high	88.4	Confident	81 Å²	81	50.8 Å²	50.8	38%	0.379	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.1	165.6	-76.5	179.3	-18.9	0	0	110.2	Q600 L601 D602	Q600-Q803 HydrophobicContact CB-CB 4.15Å; Q600-Q803 HydrophobicContact CB-CG 4.27Å; Q600-Q803 HydrophobicContact CG-CB 4.31Å; L601-Q803 CarbonylContact O-C 3.57Å; L601-Q803 WeakPolarHBondContact O-CA 3.4Å; D602-Q803 WeakPolarHBondContact OD1-CG 3.33Å; D602-Q803 PolarHBondContact OD1-NE2 2.89Å
804	A	95.7	Very high	85.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135	173.4	0	0	0	0	0	111.2	L546 Q600 L601 M806	L546-A804 HydrophobicContact CD2-CB 3.85Å; Q600-A804 CarbonylContact C-O 3.59Å; Q600-A804 WeakPolarHBondContact CA-O 3.39Å; L601-A804 PolarHBondContact N-O 3.35Å; L601-A804 PolarHBondContact O-N 3.35Å; A804-M806 PolarHBondContact O-N 2.85Å
805	N	96.8	Very high	82.4	Confident	38 Å²	38	61.7 Å²	61.7	20%	0.203	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	118.5	169.5	-71.1	-39.6	0	0	0	110	Q557 P559 V560 V598 Q600	Q557-N805 PolarHBondContact O-ND2 2.85Å; P559-N805 VanDerWaalsContact CA-O 3.25Å; P559-N805 WeakPolarHBondContact CA-O 3.36Å; P559-N805 HydrophobicContact CB-CB 3.91Å; V560-N805 PolarHBondContact N-O 3.33Å; V598-N805 HydrophobicContact CG1-CB 4.09Å; Q600-N805 PolarHBondContact NE2-OD1 2.82Å; Q600-N805 PolarHBondContact OE1-OD1 3.28Å
806	M	97.3	Very high	79.1	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.9	174.6	-61.9	-57.2	-70.9	0	0	110.4	V542 L546 V560 I562 L571 L575 V598 V599 L601 A804	V542-M806 HydrophobicContact CG1-CE 3.92Å; L546-M806 HydrophobicContact CD1-SD 4.35Å; L546-M806 HydrophobicContact CD2-SD 4.1Å; V560-M806 HydrophobicContact CB-CE 4.18Å; V560-M806 HydrophobicContact CB-SD 3.96Å; V560-M806 HydrophobicContact CG1-CE 4.39Å; V560-M806 CarbonylContact O-C 3.6Å; V560-M806 WeakPolarHBondContact O-CA 3.32Å; V560-M806 WeakPolarHBondContact O-CE 3.49Å; I562-M806 HydrophobicContact CD1-CE 3.98Å; I562-M806 HydrophobicContact CG1-CE 4.21Å; L571-M806 HydrophobicContact CD2-CE 4.24Å; L575-M806 HydrophobicContact CD1-CB 3.85Å; L575-M806 HydrophobicContact CD1-CE 3.62Å; L575-M806 HydrophobicContact CD1-CG 4.18Å; L575-M806 HydrophobicContact CD2-CB 4.28Å; V598-M806 VanDerWaalsContact CA-O 3.31Å; V598-M806 WeakPolarHBondContact CA-O 3.42Å; V599-M806 HydrophobicContact CG2-CB 4.03Å; V599-M806 PolarHBondContact N-O 3.33Å; V599-M806 PolarHBondContact O-N 3Å; L601-M806 HydrophobicContact CB-CG 3.53Å; L601-M806 HydrophobicContact CD2-CE 4.47Å; L601-M806 HydrophobicContact CD2-CG 3.9Å; L601-M806 HydrophobicContact CD2-SD 4.17Å; L601-M806 HydrophobicContact CG-CG 4.37Å; A804-M806 PolarHBondContact O-N 2.85Å
807	V	96.9	Very high	76	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.7	170.4	-173.3	0	0	0	0	108.8	P559 V560 A561 W577 N597	P559-V807 HydrophobicContact CB-CG2 3.74Å; P559-V807 HydrophobicContact CG-CG2 4.11Å; V560-V807 PolarHBondContact O-N 2.85Å; A561-V807 HydrophobicContact CB-CB 3.79Å; A561-V807 HydrophobicContact CB-CG1 4.36Å; A561-V807 HydrophobicContact CB-CG2 4.05Å; W577-V807 HydrophobicContact CZ2-CB 4.48Å; W577-V807 HydrophobicContact CZ2-CG1 4.1Å; W577-V807 PolarHBondContact NE1-O 2.87Å; N597-V807 CarbonylContact O-C 3.53Å; N597-V807 VanDerWaalsContact O-CA 3.31Å; N597-V807 WeakPolarHBondContact O-CA 3.4Å
808	Q	95.4	Very high	72.7	Confident	44 Å²	44	77.2 Å²	77.2	21%	0.206	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.6	169.9	-165.1	-178.5	51.2	0	0	109.5	L575 G596 N597 V599 A810	L575-Q808 HydrophobicContact CD2-CB 4.33Å; L575-Q808 HydrophobicContact CD2-CG 4.42Å; L575-Q808 WeakPolarHBondContact O-CG 3.46Å; G596-Q808 VanDerWaalsContact CA-O 3.31Å; G596-Q808 WeakPolarHBondContact CA-O 3.46Å; N597-Q808 PolarHBondContact N-O 3.39Å; N597-Q808 PolarHBondContact O-N 3.07Å; V599-Q808 HydrophobicContact CG1-CB 3.97Å; V599-Q808 HydrophobicContact CG2-CB 4.15Å; Q808-A810 PolarHBondContact O-N 3.25Å; Q808-A810 VanDerWaalsContact O-N 3.17Å
809	K	92	Very high	69.5	Low	34 Å²	34	85.1 Å²	85.1	15%	0.148	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-63.7	118.6	172.2	-164.7	-178.2	-166.9	172.9	0	107.7	L575 N576 W577 E584 H592 K811	L575-K809 PolarHBondContact O-N 3.13Å; N576-K809 HydrophobicContact CB-CB 3.96Å; N576-K809 WeakPolarHBondContact O-CB 3.28Å; N576-K809 WeakPolarHBondContact O-CD 3.42Å; W577-K809 HydrophobicContact CD2-CB 3.94Å; W577-K809 HydrophobicContact CD2-CG 4.44Å; W577-K809 HydrophobicContact CE3-CB 4.27Å; W577-K809 HydrophobicContact CE3-CD 4.17Å; W577-K809 HydrophobicContact CE3-CG 4.26Å; W577-K809 HydrophobicContact CG-CB 4.28Å; W577-K809 HydrophobicContact CZ2-CB 4.28Å; W577-K809 HydrophobicContact CZ3-CG 4.33Å; E584-K809 IonicContact OE1-NZ 3.21Å; E584-K809 IonicContact OE2-NZ 2.71Å; H592-K809 HydrophobicContact CB-CG 4.1Å; H592-K809 WeakPolarHBondContact CD2-CE 3.2Å; H592-K809 VanDerWaalsContact CG-CE 3.49Å; H592-K809 VanDerWaalsContact NE2-CE 3.35Å; H592-K809 WeakPolarHBondContact NE2-CE 3.3Å; K809-K811 PolarHBondContact O-N 2.92Å
810	A	80.1	Confident	66.2	Low	21 Å²	21	89.5 Å²	89.5	17%	0.174	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-63.2	124	177.4	0	0	0	0	0	109.7	Q808 R812	Q808-A810 PolarHBondContact O-N 3.25Å; Q808-A810 VanDerWaalsContact O-N 3.17Å; A810-R812 PolarHBondContact O-N 2.85Å
811	K	65.6	Low	63	Low	171 Å²	171	92.5 Å²	92.5	74%	0.743	46%	0.459	S	S	*	.			trans	-63.2	89.6	161.2	-72.2	-168.6	176.1	-168.2	0	107.4	K809 R813	K809-K811 PolarHBondContact O-N 2.92Å; K811-R813 PolarHBondContact O-N 3.4Å
812	R	47.5	Very low	60.3	Low	135 Å²	135	98.1 Å²	98.1	51%	0.509	49%	0.489	S	S	.	.			trans	-72.4	107.3	174.7	-81.3	-174.5	172.6	-170.3	-1.8	108.3	D595 A810 I814	D595-R812 IonicContact OD2-CZ 2.95Å; D595-R812 IonicContact OD2-NE 2.72Å; D595-R812 PolarHBondContact OD2-NE 2.86Å; D595-R812 IonicContact OD2-NH2 3.34Å; D595-R812 PolarHBondContact OD2-NH2 3.02Å; A810-R812 PolarHBondContact O-N 2.85Å; R812-I814 PolarHBondContact O-N 2.81Å
813	R	38.3	Very low	57.1	Low	136 Å²	136	104.4 Å²	104.4	51%	0.513	52%	0.517	S	S	.	.			trans	-47.6	132.4	145.4	-85.8	-175.4	167.5	-179.6	-4.8	107.5	K811 S815	K811-R813 PolarHBondContact O-N 3.4Å; R813-S815 PolarHBondContact O-N 2.79Å
814	I	32.6	Very low	54.4	Low	162 Å²	162	106.1 Å²	106.1	83%	0.831	54%	0.535	S	S	*	.	S	Bend	trans	-84.7	61	-177	-50.5	-174.9	0	0	0	110.1	R812	R812-I814 PolarHBondContact O-N 2.81Å
815	S	29.6	Very low	51.7	Low	95 Å²	95	109.7 Å²	109.7	66%	0.664	56%	0.557	S	S	*	*	S	Bend	trans	-145.4	151.8	175.7	52.7	0	0	0	0	111.9	R813	R813-S815 PolarHBondContact O-N 2.79Å
816	M	26.7	Very low	49.3	Very low	160 Å²	160	111.6 Å²	111.6	79%	0.788	57%	0.571	S	S	*	*			trans	-72.5	150	-179.4	-82.7	-98.1	-70.6	0	0	111.3	H818	M816-H818 PolarHBondContact O-N 2.94Å
817	P	30.8	Very low	47.4	Very low	117 Å²	117	120.2 Å²	120.2	76%	0.76	61%	0.611	S	S	*	*			trans	-68.4	104.1	173.1	29.1	-33.7	0	0	0	110.1
818	H	28.1	Very low	46.2	Very low	182 Å²	182	127.1 Å²	127.1	84%	0.843	64%	0.642	S	S	*	*			trans	-65.8	141.2	157.4	-90.4	-108.5	0	0	0	109.2	M816	M816-H818 PolarHBondContact O-N 2.94Å
819	L	31.6	Very low	45.3	Very low	166 Å²	166	126.3 Å²	126.3	87%	0.869	64%	0.638	S	S	*	*			trans	-80.6	151.4	169.8	-79.6	163	0	0	0	109.5
820	N	27.6	Very low	44.9	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	66%	0.663	S	S	*	*	S	Bend	trans	80.1	142.9	179.8	-101.1	54.1	0	0	0	118.3
821	D	28.9	Very low	45.2	Very low	136 Å²	136	130.7 Å²	130.7	73%	0.727	66%	0.656	S	S	*	*			trans	62	108.1	159.8	-52.5	-39.7	0	0	0	119.7	Q823	D821-Q823 PolarHBondContact O-N 2.99Å
822	Q	35.6	Very low	46.3	Very low	202 Å²	202	128 Å²	128	94%	0.944	64%	0.641	S	S	*	*			trans	-71.6	102.2	163.3	-65.9	174.4	-43.1	0	0	109.2
823	Q	27.8	Very low	48.4	Very low	177 Å²	177	121.6 Å²	121.6	83%	0.827	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-97.7	135.2	148.8	-75.2	-176.1	-46.3	0	0	108.5	D821	D821-Q823 PolarHBondContact O-N 2.99Å
824	P	37.7	Very low	50.9	Low	118 Å²	118	115.2 Å²	115.2	77%	0.766	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-62.8	139.5	167.4	28.9	-32.9	0	0	0	108.6
825	V	39	Very low	53.5	Low	75 Å²	75	108.3 Å²	108.3	46%	0.455	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-60.6	132.8	169.5	-179.9	0	0	0	0	107.4	E827	V825-E827 PolarHBondContact O-N 3.02Å
826	P	45.9	Very low	56.4	Low	78 Å²	78	103.8 Å²	103.8	51%	0.506	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-54.5	134.2	176	-26.8	35.4	0	0	0	111.3	K828 L829	P826-K828 WeakPolarHBondContact CB-O 3.17Å; P826-K828 PolarHBondContact O-N 3.44Å; P826-K828 VanDerWaalsContact O-N 3.11Å; P826-L829 HydrophobicContact CB-CD2 4.18Å; P826-L829 HydrophobicContact CG-CD2 4.18Å
827	E	57.7	Low	59.2	Low	181 Å²	181	97 Å²	97	85%	0.846	49%	0.493	S	S	*	.	S	Bend	trans	-60.5	-22.7	-178.1	-168	170.3	-156.8	0	0	112.3	V825	V825-E827 PolarHBondContact O-N 3.02Å
828	K	71.3	Confident	61.7	Low	145 Å²	145	93.8 Å²	93.8	63%	0.63	47%	0.468	S	S	*	.	S	Bend	trans	-137.4	137.9	166.3	-57.9	178.6	-174.5	177.7	0	108.8	P826 V862	P826-K828 WeakPolarHBondContact CB-O 3.17Å; P826-K828 PolarHBondContact O-N 3.44Å; P826-K828 VanDerWaalsContact O-N 3.11Å; K828-V862 HydrophobicContact CB-CG1 3.95Å; K828-V862 HydrophobicContact CD-CG1 4.16Å
829	L	77.7	Confident	64.2	Low	26 Å²	26	88 Å²	88	14%	0.136	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.2	169.9	-60.7	175.2	0	0	0	109.3	P826 I831 V862 V863 V932 T933	P826-L829 HydrophobicContact CB-CD2 4.18Å; P826-L829 HydrophobicContact CG-CD2 4.18Å; L829-I831 HydrophobicContact CB-CD1 3.86Å; L829-I831 HydrophobicContact CB-CG1 3.86Å; L829-I831 HydrophobicContact CD1-CD1 4.16Å; L829-V862 WeakPolarHBondContact O-CA 3.35Å; L829-V863 PolarHBondContact N-O 3.16Å; L829-V863 PolarHBondContact O-N 3.27Å; L829-V932 HydrophobicContact CD1-CG1 4.23Å; L829-T933 HydrophobicContact CD1-CG2 3.29Å
830	Q	83.1	Confident	66.6	Low	145 Å²	145	81 Å²	81	68%	0.678	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.3	172.5	-178.4	175.5	6.1	0	0	107.4	V860 I861 V862	Q830-V860 HydrophobicContact CG-CG1 3.41Å; Q830-V860 VanDerWaalsContact CG-CG1 3.41Å; Q830-I861 WeakPolarHBondContact CA-O 3.32Å; Q830-V862 HydrophobicContact CB-CG2 4.38Å; Q830-V862 HydrophobicContact CG-CG2 4.19Å
831	I	87.3	Confident	69.2	Low	2 Å²	2	75 Å²	75	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.6	-165.6	-56.2	179.7	0	0	0	109.2	L829 V860 I861 V863 V932 L940	L829-I831 HydrophobicContact CB-CD1 3.86Å; L829-I831 HydrophobicContact CB-CG1 3.86Å; L829-I831 HydrophobicContact CD1-CD1 4.16Å; I831-V860 WeakPolarHBondContact O-CA 3.42Å; I831-I861 HydrophobicContact CB-CG1 4.1Å; I831-I861 PolarHBondContact N-O 3.28Å; I831-I861 PolarHBondContact O-N 3.38Å; I831-V863 HydrophobicContact CD1-CG2 3.99Å; I831-V932 HydrophobicContact CD1-CB 4.26Å; I831-V932 HydrophobicContact CD1-CG1 3.73Å; I831-V932 HydrophobicContact CD1-CG2 3.5Å; I831-L940 HydrophobicContact CG2-CB 3.7Å
832	R	87.9	Confident	71.7	Confident	116 Å²	116	73.8 Å²	73.8	44%	0.438	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.6	176.3	178.9	-179.4	178	151.4	1.7	109.5	N834 D938 E939 L940	R832-N834 PolarHBondContact NE-OD1 2.86Å; R832-D938 PolarHBondContact N-O 3.2Å; R832-E939 CarbonylContact O-C 3.56Å; R832-E939 WeakPolarHBondContact O-CA 3.42Å; R832-L940 PolarHBondContact O-N 2.84Å
833	V	90.6	Very high	73.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.3	177	-174.6	0	0	0	0	108.9	L858 G859 I861 I876 L940 I942	V833-L858 HydrophobicContact CB-CB 4.38Å; V833-L858 HydrophobicContact CG1-CB 4.22Å; V833-L858 HydrophobicContact CG1-CD2 3.93Å; V833-L858 WeakPolarHBondContact O-CB 3.45Å; V833-L858 PolarHBondContact O-N 2.9Å; V833-G859 PolarHBondContact N-O 3.16Å; V833-G859 PolarHBondContact O-N 2.75Å; V833-I861 HydrophobicContact CG2-CD1 4.16Å; V833-I861 HydrophobicContact CG2-CG1 4Å; V833-I861 HydrophobicContact CG2-CG2 4.13Å; V833-I876 HydrophobicContact CG1-CD1 3.87Å; V833-I876 HydrophobicContact CG1-CG1 4.16Å; V833-I876 HydrophobicContact CG2-CD1 4.04Å; V833-I876 HydrophobicContact CG2-CG1 3.97Å; V833-L940 CarbonylContact C-O 3.56Å; V833-L940 WeakPolarHBondContact CA-O 3.46Å; V833-L940 HydrophobicContact CG2-CB 4.44Å; V833-I942 HydrophobicContact CG1-CD1 4.23Å; V833-I942 HydrophobicContact CG1-CG1 4.49Å; V833-I942 HydrophobicContact CG1-CG2 4.35Å
834	N	90.9	Very high	76.1	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.011	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.3	178.6	-59	-50	0	0	0	109.8	R832 T856 P857 E939 L940 Y941 I942	R832-N834 PolarHBondContact NE-OD1 2.86Å; N834-T856 CarbonylContact C-O 3.59Å; N834-T856 WeakPolarHBondContact CA-O 3.44Å; N834-P857 WeakPolarHBondContact OD1-CA 3.47Å; N834-E939 PolarHBondContact ND2-OE1 3.23Å; N834-E939 VanDerWaalsContact ND2-OE1 3.16Å; N834-L940 PolarHBondContact N-O 2.73Å; N834-Y941 HydrophobicContact CB-CD1 3.84Å; N834-Y941 HydrophobicContact CB-CE1 3.74Å; N834-Y941 WeakPolarHBondContact O-CA 3.37Å; N834-I942 PolarHBondContact O-N 3.43Å
835	R	88.7	Confident	77.2	Confident	17 Å²	17	62.9 Å²	62.9	6%	0.064	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.5	177.3	63	179	179.3	153.4	7.7	112.1	S855 T856 I942 L947	R835-S855 CarbonylContact O-C 3.57Å; R835-S855 WeakPolarHBondContact O-CA 3.1Å; R835-T856 WeakPolarHBondContact CG-O 3.41Å; R835-T856 PolarHBondContact N-O 2.97Å; R835-T856 PolarHBondContact O-N 3.06Å; R835-I942 CarbonylContact C-O 3.53Å; R835-I942 WeakPolarHBondContact CA-O 3.39Å; R835-I942 HydrophobicContact CB-CD1 4.15Å; R835-I942 HydrophobicContact CB-CG1 3.76Å; R835-L947 HydrophobicContact CG-CD2 4.11Å; R835-L947 VanDerWaalsContact NH1-CD1 3.32Å
836	I	89.3	Confident	78.5	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.9	176.7	-65.1	176.1	0	0	0	107.8	A840 L851 L911 F919 Y941 I942 L943 D944	I836-A840 HydrophobicContact CG2-CB 4.3Å; I836-L851 HydrophobicContact CD1-CB 4.28Å; I836-L851 WeakPolarHBondContact CD1-O 3.48Å; I836-L851 HydrophobicContact CG2-CD2 3.91Å; I836-L911 HydrophobicContact CB-CD1 4.48Å; I836-L911 HydrophobicContact CD1-CD1 3.93Å; I836-F919 HydrophobicContact CD1-CE2 4.49Å; I836-F919 HydrophobicContact CD1-CZ 4.47Å; I836-Y941 HydrophobicContact CD1-CD1 3.93Å; I836-Y941 HydrophobicContact CG1-CD1 4.45Å; I836-I942 PolarHBondContact N-O 3.16Å; I836-L943 HydrophobicContact CB-CD1 4.38Å; I836-L943 HydrophobicContact CG2-CD1 4.1Å; I836-D944 PolarHBondContact O-N 2.81Å
837	S	85.8	Confident	79.9	Confident	16 Å²	16	63.3 Å²	63.3	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	152.3	175	67.4	0	0	0	0	111.8	A839 A840 Y841 L947	S837-A839 PolarHBondContact O-N 2.86Å; S837-A840 PolarHBondContact O-N 2.79Å; S837-A840 WeakPolarHBondContact OG-CB 3.4Å; S837-A840 PolarHBondContact OG-N 3.28Å; S837-Y841 WeakPolarHBondContact O-CB 3.48Å; S837-Y841 PolarHBondContact O-N 3.12Å; S837-L947 WeakPolarHBondContact CB-O 3.46Å
838	M	84.2	Confident	80.9	Confident	50 Å²	50	56.7 Å²	56.7	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-52.1	-44.5	171.6	-170.3	75.3	-176.3	0	0	112.2	A840 Y841 E842 R921 L943 D944	M838-A840 PolarHBondContact O-N 3.43Å; M838-Y841 WeakPolarHBondContact O-CB 3.42Å; M838-Y841 PolarHBondContact O-N 2.9Å; M838-E842 HydrophobicContact CE-CG 4.07Å; M838-E842 WeakPolarHBondContact CE-OE1 3.46Å; M838-E842 WeakPolarHBondContact O-CG 3.46Å; M838-E842 PolarHBondContact O-N 3.19Å; M838-R921 VanDerWaalsContact CE-NH2 3.33Å; M838-R921 PolarHBondContact SD-NH2 3.34Å; M838-L943 HydrophobicContact SD-CD2 4.29Å; M838-D944 PolarHBondContact N-O 3.03Å
839	A	80.6	Confident	81.4	Confident	61 Å²	61	55.4 Å²	55.4	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-42.7	-179.8	0	0	0	0	0	112.7	S837 A843	S837-A839 PolarHBondContact O-N 2.86Å; A839-A843 WeakPolarHBondContact O-CB 3.49Å; A839-A843 PolarHBondContact O-N 3.39Å
840	A	81.5	Confident	81.6	Confident	18 Å²	18	58.6 Å²	58.6	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-43.7	174.7	0	0	0	0	0	111.4	I836 S837 M838 E842 A843 L844 A854	I836-A840 HydrophobicContact CG2-CB 4.3Å; S837-A840 PolarHBondContact O-N 2.79Å; S837-A840 WeakPolarHBondContact OG-CB 3.4Å; S837-A840 PolarHBondContact OG-N 3.28Å; M838-A840 PolarHBondContact O-N 3.43Å; A840-E842 VanDerWaalsContact C-N 3.31Å; A840-E842 PolarHBondContact O-N 2.82Å; A840-A843 PolarHBondContact O-N 2.92Å; A840-L844 HydrophobicContact CB-CD1 4.43Å; A840-L844 VanDerWaalsContact O-CB 3.29Å; A840-L844 WeakPolarHBondContact O-CB 3.36Å; A840-L844 WeakPolarHBondContact O-CG 3.44Å; A840-L844 PolarHBondContact O-N 2.85Å; A840-A854 HydrophobicContact CB-CB 4.38Å
841	Y	81.8	Confident	81.6	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.039	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-39.1	178.3	-172.1	-85.3	0	0	0	113.2	S837 M838 Y846 L911 F919 L943	S837-Y841 WeakPolarHBondContact O-CB 3.48Å; S837-Y841 PolarHBondContact O-N 3.12Å; M838-Y841 WeakPolarHBondContact O-CB 3.42Å; M838-Y841 PolarHBondContact O-N 2.9Å; Y841-Y846 HydrophobicContact CD1-CE1 4.45Å; Y841-Y846 HydrophobicContact CE1-CD1 4.05Å; Y841-Y846 AromaticContact CE1-CE1 3.5Å; Y841-Y846 HydrophobicContact CE1-CE1 3.5Å; Y841-Y846 VanDerWaalsContact CE1-CE1 3.5Å; Y841-Y846 AromaticContact CZ-CD1 3.95Å; Y841-Y846 AromaticContact CZ-CE1 3.74Å; Y841-L911 HydrophobicContact CD2-CD1 4.26Å; Y841-L911 HydrophobicContact CD2-CD2 4.39Å; Y841-L911 HydrophobicContact CE2-CD1 4.25Å; Y841-L911 HydrophobicContact CE2-CD2 3.72Å; Y841-F919 HydrophobicContact CE2-CB 4.34Å; Y841-L943 HydrophobicContact CD2-CD1 3.88Å; Y841-L943 HydrophobicContact CD2-CD2 4.37Å; Y841-L943 HydrophobicContact CG-CD1 3.86Å; Y841-L943 HydrophobicContact CG-CD2 4.34Å
842	E	80.9	Confident	81.4	Confident	111 Å²	111	54.6 Å²	54.6	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-78.5	-48	177.2	-68.2	-177.7	138.8	0	0	112.3	M838 A840 L844 H845	M838-E842 HydrophobicContact CE-CG 4.07Å; M838-E842 WeakPolarHBondContact CE-OE1 3.46Å; M838-E842 WeakPolarHBondContact O-CG 3.46Å; M838-E842 PolarHBondContact O-N 3.19Å; A840-E842 VanDerWaalsContact C-N 3.31Å; A840-E842 PolarHBondContact O-N 2.82Å; E842-L844 PolarHBondContact O-N 2.96Å; E842-H845 PolarHBondContact O-N 3.31Å; E842-H845 PolarHBondContact O-ND1 3.41Å
843	A	77.6	Confident	81.2	Confident	72 Å²	72	57.3 Å²	57.3	60%	0.595	30%	0.297	S	S	*	.	H	α-helix	trans	-65.7	-38.8	-176.1	0	0	0	0	0	113.2	A839 A840 H845	A839-A843 WeakPolarHBondContact O-CB 3.49Å; A839-A843 PolarHBondContact O-N 3.39Å; A840-A843 PolarHBondContact O-N 2.92Å; A843-H845 PolarHBondContact O-N 2.86Å; A843-H845 PolarHBondContact O-ND1 3.43Å
844	L	78.2	Confident	80.8	Confident	44 Å²	44	59.5 Å²	59.5	23%	0.23	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	7.6	179.9	-58.6	174.4	0	0	0	113.2	A840 E842 Y846 D847 Q850 L851 A854	A840-L844 HydrophobicContact CB-CD1 4.43Å; A840-L844 VanDerWaalsContact O-CB 3.29Å; A840-L844 WeakPolarHBondContact O-CB 3.36Å; A840-L844 WeakPolarHBondContact O-CG 3.44Å; A840-L844 PolarHBondContact O-N 2.85Å; E842-L844 PolarHBondContact O-N 2.96Å; L844-Y846 PolarHBondContact O-N 3.33Å; L844-D847 WeakPolarHBondContact O-CB 3.43Å; L844-D847 PolarHBondContact O-N 3.42Å; L844-Q850 HydrophobicContact CD1-CB 4.19Å; L844-Q850 HydrophobicContact CD2-CB 4.26Å; L844-L851 HydrophobicContact CB-CD2 4.09Å; L844-L851 HydrophobicContact CB-CG 4.03Å; L844-L851 HydrophobicContact CD1-CD2 3.84Å; L844-L851 HydrophobicContact CD1-CG 4.13Å; L844-A854 HydrophobicContact CD1-CB 3.64Å
845	H	61.9	Low	80.6	Confident	151 Å²	151	60.4 Å²	60.4	70%	0.699	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	40.1	167.1	-70.5	-1.2	0	0	0	114.9	E842 A843 D847	E842-H845 PolarHBondContact O-N 3.31Å; E842-H845 PolarHBondContact O-ND1 3.41Å; A843-H845 PolarHBondContact O-N 2.86Å; A843-H845 PolarHBondContact O-ND1 3.43Å; H845-D847 VanDerWaalsContact C-N 3.28Å; H845-D847 PolarHBondContact O-N 2.81Å
846	Y	65.1	Low	80.4	Confident	99 Å²	99	62 Å²	62	39%	0.388	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	16.5	-178.5	-43.9	-92.2	0	0	0	115.8	Y841 L844 K848	Y841-Y846 HydrophobicContact CD1-CE1 4.45Å; Y841-Y846 HydrophobicContact CE1-CD1 4.05Å; Y841-Y846 AromaticContact CE1-CE1 3.5Å; Y841-Y846 HydrophobicContact CE1-CE1 3.5Å; Y841-Y846 VanDerWaalsContact CE1-CE1 3.5Å; Y841-Y846 AromaticContact CZ-CD1 3.95Å; Y841-Y846 AromaticContact CZ-CE1 3.74Å; L844-Y846 PolarHBondContact O-N 3.33Å; Y846-K848 PolarHBondContact O-N 3.29Å
847	D	76.6	Confident	80.1	Confident	64 Å²	64	65.4 Å²	65.4	34%	0.342	36%	0.355	S	S	.	.			trans	-66.1	116.1	170	-171.8	-42.3	0	0	0	109.9	L844 H845 D849 Q850 L851	L844-D847 WeakPolarHBondContact O-CB 3.43Å; L844-D847 PolarHBondContact O-N 3.42Å; H845-D847 VanDerWaalsContact C-N 3.28Å; H845-D847 PolarHBondContact O-N 2.81Å; D847-D849 PolarHBondContact OD1-N 3Å; D847-Q850 HydrophobicContact CB-CB 4.19Å; D847-Q850 HydrophobicContact CB-CG 4.31Å; D847-Q850 VanDerWaalsContact CG-NE2 3.33Å; D847-Q850 PolarHBondContact OD1-N 3.5Å; D847-Q850 PolarHBondContact OD2-NE2 2.83Å; D847-L851 WeakPolarHBondContact O-CB 3.34Å; D847-L851 WeakPolarHBondContact O-CD1 3.36Å; D847-L851 WeakPolarHBondContact O-CG 3.34Å; D847-L851 PolarHBondContact O-N 2.83Å
848	K	79.1	Confident	80	Confident	41 Å²	41	66.7 Å²	66.7	18%	0.178	36%	0.36	C	S	.	.	H	α-helix	trans	-68.8	-35	-170.1	-170.1	173.9	-176.6	171.7	0	113.2	Y846 K852 C913 T915 F919	Y846-K848 PolarHBondContact O-N 3.29Å; K848-K852 WeakPolarHBondContact O-CG 3.36Å; K848-K852 PolarHBondContact O-N 3.44Å; K848-C913 WeakPolarHBondContact CE-O 3.44Å; K848-C913 PolarHBondContact NZ-O 3.12Å; K848-T915 PolarHBondContact NZ-O 3.13Å; K848-F919 HydrophobicContact CG-CD2 4.29Å; K848-F919 HydrophobicContact CG-CE2 4.08Å; K848-F919 WeakPolarHBondContact O-CE2 3.34Å
849	D	81.6	Confident	80	Confident	118 Å²	118	65.5 Å²	65.5	63%	0.631	36%	0.361	S	S	*	.	H	α-helix	trans	-84.2	-41.3	-174.8	-65	-30.5	0	0	0	110.1	D847 L851 K852 E853	D847-D849 PolarHBondContact OD1-N 3Å; D849-L851 VanDerWaalsContact C-N 3.31Å; D849-L851 PolarHBondContact O-N 3.07Å; D849-K852 WeakPolarHBondContact O-CB 3.28Å; D849-K852 PolarHBondContact O-N 3Å; D849-K852 VanDerWaalsContact O-N 3.17Å; D849-E853 PolarHBondContact O-N 3.49Å; D849-E853 VanDerWaalsContact O-N 3.12Å
850	Q	80.3	Confident	80.3	Confident	94 Å²	94	65.9 Å²	65.9	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-36.7	172.5	-62.3	-176.5	61.2	0	0	112	L844 D847 K852 E853 A854	L844-Q850 HydrophobicContact CD1-CB 4.19Å; L844-Q850 HydrophobicContact CD2-CB 4.26Å; D847-Q850 HydrophobicContact CB-CB 4.19Å; D847-Q850 HydrophobicContact CB-CG 4.31Å; D847-Q850 VanDerWaalsContact CG-NE2 3.33Å; D847-Q850 PolarHBondContact OD1-N 3.5Å; D847-Q850 PolarHBondContact OD2-NE2 2.83Å; Q850-K852 VanDerWaalsContact C-N 3.32Å; Q850-K852 PolarHBondContact O-N 2.96Å; Q850-E853 PolarHBondContact O-N 2.89Å; Q850-A854 WeakPolarHBondContact O-CB 3.43Å; Q850-A854 PolarHBondContact O-N 3.07Å
851	L	83.1	Confident	80.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.6	-25.7	175.8	-80.2	167.9	0	0	0	113.8	I836 L844 D847 D849 S855 F919	I836-L851 HydrophobicContact CD1-CB 4.28Å; I836-L851 WeakPolarHBondContact CD1-O 3.48Å; I836-L851 HydrophobicContact CG2-CD2 3.91Å; L844-L851 HydrophobicContact CB-CD2 4.09Å; L844-L851 HydrophobicContact CB-CG 4.03Å; L844-L851 HydrophobicContact CD1-CD2 3.84Å; L844-L851 HydrophobicContact CD1-CG 4.13Å; D847-L851 WeakPolarHBondContact O-CB 3.34Å; D847-L851 WeakPolarHBondContact O-CD1 3.36Å; D847-L851 WeakPolarHBondContact O-CG 3.34Å; D847-L851 PolarHBondContact O-N 2.83Å; D849-L851 VanDerWaalsContact C-N 3.31Å; D849-L851 PolarHBondContact O-N 3.07Å; L851-S855 PolarHBondContact O-N 2.97Å; L851-F919 HydrophobicContact CB-CD2 3.9Å; L851-F919 HydrophobicContact CB-CE2 3.65Å; L851-F919 HydrophobicContact CD1-CD2 3.95Å
852	K	84.1	Confident	80.7	Confident	62 Å²	62	68.2 Å²	68.2	27%	0.27	37%	0.37	S	S	.	.	H	α-helix	trans	-70.9	-45.4	169.6	-77.3	179	153.9	-93.6	0	111	K848 D849 Q850 A854 S855 F919 E939 Y941	K848-K852 WeakPolarHBondContact O-CG 3.36Å; K848-K852 PolarHBondContact O-N 3.44Å; D849-K852 WeakPolarHBondContact O-CB 3.28Å; D849-K852 PolarHBondContact O-N 3Å; D849-K852 VanDerWaalsContact O-N 3.17Å; Q850-K852 VanDerWaalsContact C-N 3.32Å; Q850-K852 PolarHBondContact O-N 2.96Å; K852-A854 VanDerWaalsContact C-N 3.34Å; K852-A854 PolarHBondContact O-N 2.99Å; K852-S855 WeakPolarHBondContact O-CB 3.41Å; K852-S855 PolarHBondContact O-N 3.26Å; K852-S855 VanDerWaalsContact O-N 3.13Å; K852-S855 PolarHBondContact O-OG 3.38Å; K852-F919 HydrophobicContact CG-CE2 4.36Å; K852-F919 HydrophobicContact CG-CZ 4.02Å; K852-E939 IonicContact NZ-OE2 2.78Å; K852-E939 PolarHBondContact NZ-OE2 2.92Å; K852-Y941 HydrophobicContact CG-CE1 4.12Å; K852-Y941 HydrophobicContact CG-CE2 4.48Å; K852-Y941 WeakPolarHBondContact CG-OH 3.32Å; K852-Y941 PolarHBondContact NZ-OH 3.28Å
853	E	83.6	Confident	80.8	Confident	174 Å²	174	63 Å²	63	81%	0.813	35%	0.345	S	S	*	.	H	α-helix	trans	-64.4	-37	178.3	-171.5	169.1	-157.7	0	0	112.3	D849 Q850 S855	D849-E853 PolarHBondContact O-N 3.49Å; D849-E853 VanDerWaalsContact O-N 3.12Å; Q850-E853 PolarHBondContact O-N 2.89Å; E853-S855 PolarHBondContact O-N 3.14Å
854	A	81.5	Confident	80.8	Confident	45 Å²	45	62.3 Å²	62.3	37%	0.372	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	2	174.2	0	0	0	0	0	114.7	A840 L844 Q850 K852	A840-A854 HydrophobicContact CB-CB 4.38Å; L844-A854 HydrophobicContact CD1-CB 3.64Å; Q850-A854 WeakPolarHBondContact O-CB 3.43Å; Q850-A854 PolarHBondContact O-N 3.07Å; K852-A854 VanDerWaalsContact C-N 3.34Å; K852-A854 PolarHBondContact O-N 2.99Å
855	S	87.3	Confident	80.4	Confident	21 Å²	21	60.8 Å²	60.8	15%	0.147	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-86.2	138.5	-179.7	77.3	0	0	0	0	112.2	R835 L851 K852 E853	R835-S855 CarbonylContact O-C 3.57Å; R835-S855 WeakPolarHBondContact O-CA 3.1Å; L851-S855 PolarHBondContact O-N 2.97Å; K852-S855 WeakPolarHBondContact O-CB 3.41Å; K852-S855 PolarHBondContact O-N 3.26Å; K852-S855 VanDerWaalsContact O-N 3.13Å; K852-S855 PolarHBondContact O-OG 3.38Å; E853-S855 PolarHBondContact O-N 3.14Å
856	T	84.1	Confident	81	Confident	51 Å²	51	59.5 Å²	59.5	31%	0.313	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	175.4	-49.2	0	0	0	0	109.4	N834 R835	N834-T856 CarbonylContact C-O 3.59Å; N834-T856 WeakPolarHBondContact CA-O 3.44Å; R835-T856 WeakPolarHBondContact CG-O 3.41Å; R835-T856 PolarHBondContact N-O 2.97Å; R835-T856 PolarHBondContact O-N 3.06Å
857	P	83.9	Confident	81.7	Confident	71 Å²	71	55.2 Å²	55.2	46%	0.461	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.3	171.2	25.8	-32.7	0	0	0	111.4	N834	N834-P857 WeakPolarHBondContact OD1-CA 3.47Å
858	L	83.4	Confident	82.2	Confident	44 Å²	44	54 Å²	54	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-39.6	174.1	-170.1	93.9	0	0	0	111.4	V833 I876 L904 I942	V833-L858 HydrophobicContact CB-CB 4.38Å; V833-L858 HydrophobicContact CG1-CB 4.22Å; V833-L858 HydrophobicContact CG1-CD2 3.93Å; V833-L858 WeakPolarHBondContact O-CB 3.45Å; V833-L858 PolarHBondContact O-N 2.9Å; L858-I876 HydrophobicContact CD2-CG2 3.74Å; L858-L904 HydrophobicContact CD1-CD1 4.11Å; L858-L904 HydrophobicContact CD1-CD2 3.98Å; L858-L904 HydrophobicContact CD1-CG 4.13Å; L858-L904 HydrophobicContact CD2-CD1 4Å; L858-I942 HydrophobicContact CD2-CD1 4.11Å
859	G	83.9	Confident	82.5	Confident	25 Å²	25	52 Å²	52	26%	0.258	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.4	-163.7	-176.9	0	0	0	0	0	112.1	V833	V833-G859 PolarHBondContact N-O 3.16Å; V833-G859 PolarHBondContact O-N 2.75Å
860	V	86.3	Confident	82.7	Confident	69 Å²	69	51.5 Å²	51.5	42%	0.418	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.3	177.7	-178.6	0	0	0	0	109	Q830 I831	Q830-V860 HydrophobicContact CG-CG1 3.41Å; Q830-V860 VanDerWaalsContact CG-CG1 3.41Å; I831-V860 WeakPolarHBondContact O-CA 3.42Å
861	I	88	Confident	82.8	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	146.2	173.6	59.7	177.1	0	0	0	110.5	Q830 I831 V833 V863 C872 H875 I876 L879 L940	Q830-I861 WeakPolarHBondContact CA-O 3.32Å; I831-I861 HydrophobicContact CB-CG1 4.1Å; I831-I861 PolarHBondContact N-O 3.28Å; I831-I861 PolarHBondContact O-N 3.38Å; V833-I861 HydrophobicContact CG2-CD1 4.16Å; V833-I861 HydrophobicContact CG2-CG1 4Å; V833-I861 HydrophobicContact CG2-CG2 4.13Å; I861-V863 HydrophobicContact CB-CG1 4.31Å; I861-V863 HydrophobicContact CD1-CG1 4.08Å; I861-V863 HydrophobicContact CD1-CG2 4.49Å; I861-V863 HydrophobicContact CG1-CG1 4.31Å; I861-C872 HydrophobicContact CD1-CB 3.95Å; I861-H875 HydrophobicContact CB-CB 4.27Å; I861-H875 HydrophobicContact CG2-CB 3.91Å; I861-I876 HydrophobicContact CD1-CG1 4.43Å; I861-I876 HydrophobicContact CG2-CG1 3.97Å; I861-L879 HydrophobicContact CG2-CD1 3.53Å; I861-L879 HydrophobicContact CG2-CG 4.32Å; I861-L940 HydrophobicContact CD1-CD2 4.04Å
862	V	85.2	Confident	83	Confident	74 Å²	74	50.9 Å²	50.9	45%	0.448	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.1	170.4	-179.4	0	0	0	0	108.3	K828 L829 Q830	K828-V862 HydrophobicContact CB-CG1 3.95Å; K828-V862 HydrophobicContact CD-CG1 4.16Å; L829-V862 WeakPolarHBondContact O-CA 3.35Å; Q830-V862 HydrophobicContact CB-CG2 4.38Å; Q830-V862 HydrophobicContact CG-CG2 4.19Å
863	V	83	Confident	83.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.2	-171.2	-66.3	0	0	0	0	111.2	L829 I831 I861 H875 V932	L829-V863 PolarHBondContact N-O 3.16Å; L829-V863 PolarHBondContact O-N 3.27Å; I831-V863 HydrophobicContact CD1-CG2 3.99Å; I861-V863 HydrophobicContact CB-CG1 4.31Å; I861-V863 HydrophobicContact CD1-CG1 4.08Å; I861-V863 HydrophobicContact CD1-CG2 4.49Å; I861-V863 HydrophobicContact CG1-CG1 4.31Å; V863-H875 HydrophobicContact CG1-CB 4.29Å; V863-V932 HydrophobicContact CG2-CG1 4.24Å
864	P	77.4	Confident	83.3	Confident	59 Å²	59	43.3 Å²	43.3	38%	0.383	26%	0.257	S	S	.	.			trans	-52.7	145.4	169.7	-27.8	35.2	0	0	0	112.9	D866 S867	P864-D866 WeakPolarHBondContact CB-OD1 3.5Å; P864-D866 PolarHBondContact O-N 3.47Å; P864-D866 VanDerWaalsContact O-N 3.07Å; P864-S867 VanDerWaalsContact CD-OG 3.29Å; P864-S867 WeakPolarHBondContact CD-OG 3.36Å; P864-S867 VanDerWaalsContact O-CB 3.31Å; P864-S867 WeakPolarHBondContact O-CB 3.45Å; P864-S867 PolarHBondContact O-N 3.03Å; P864-S867 PolarHBondContact O-OG 2.87Å
865	G	69.8	Low	83.4	Confident	11 Å²	11	43.7 Å²	43.7	11%	0.113	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9	-174.7	0	0	0	0	0	115.9	T933	G865-T933 WeakPolarHBondContact O-CG2 3.38Å; G865-T933 PolarHBondContact O-OG1 2.91Å
866	D	73.8	Confident	83.3	Confident	124 Å²	124	42.7 Å²	42.7	66%	0.663	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	16.7	174.6	61.3	-26.7	0	0	0	113.2	P864 Y931	P864-D866 WeakPolarHBondContact CB-OD1 3.5Å; P864-D866 PolarHBondContact O-N 3.47Å; P864-D866 VanDerWaalsContact O-N 3.07Å; D866-Y931 WeakPolarHBondContact O-CD1 3.21Å; D866-Y931 WeakPolarHBondContact O-CE1 3.21Å
867	S	80.9	Confident	83.3	Confident	10 Å²	10	43 Å²	43	7%	0.07	24%	0.242	C	C	.	.			trans	-71.1	135	174	-53.6	0	0	0	0	112.3	P864 V932	P864-S867 VanDerWaalsContact CD-OG 3.29Å; P864-S867 WeakPolarHBondContact CD-OG 3.36Å; P864-S867 VanDerWaalsContact O-CB 3.31Å; P864-S867 WeakPolarHBondContact O-CB 3.45Å; P864-S867 PolarHBondContact O-N 3.03Å; P864-S867 PolarHBondContact O-OG 2.87Å; S867-V932 PolarHBondContact O-N 2.85Å
868	D	86.7	Confident	83	Confident	37 Å²	37	46.3 Å²	46.3	20%	0.198	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-76.2	175.5	165.2	57.3	64.4	0	0	0	112.3	E870 M871 C872 N930 Y931	D868-E870 WeakPolarHBondContact OD1-CB 3.42Å; D868-E870 PolarHBondContact OD1-N 2.88Å; D868-E870 VanDerWaalsContact OD1-N 3.07Å; D868-M871 PolarHBondContact OD1-N 3.09Å; D868-C872 PolarHBondContact O-N 3.16Å; D868-C872 VanDerWaalsContact O-N 3.13Å; D868-C872 PolarHBondContact O-SG 2.8Å; D868-N930 WeakPolarHBondContact CA-O 3.37Å; D868-Y931 HydrophobicContact CB-CD1 4.44Å; D868-Y931 HydrophobicContact CB-CE1 4.42Å
869	L	85.7	Confident	82.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-80.2	-17.9	-178.1	-55.6	-177.2	0	0	0	113.8	C872 R873 F910 I922 E927 N930 V932 I935	L869-C872 HydrophobicContact CD2-CB 4.49Å; L869-C872 PolarHBondContact O-N 3.32Å; L869-R873 VanDerWaalsContact O-CB 3.31Å; L869-R873 WeakPolarHBondContact O-CB 3.31Å; L869-R873 PolarHBondContact O-N 3.12Å; L869-F910 HydrophobicContact CB-CD2 3.91Å; L869-F910 HydrophobicContact CB-CE2 3.71Å; L869-F910 HydrophobicContact CB-CZ 4.18Å; L869-F910 HydrophobicContact CD1-CB 4.17Å; L869-F910 HydrophobicContact CD1-CD2 4.09Å; L869-F910 HydrophobicContact CD1-CG 4.1Å; L869-F910 VanDerWaalsContact O-CE2 3.32Å; L869-F910 WeakPolarHBondContact O-CE2 3.42Å; L869-F910 WeakPolarHBondContact O-CZ 3.39Å; L869-I922 HydrophobicContact CD1-CD1 3.58Å; L869-I922 HydrophobicContact CD1-CG2 4.41Å; L869-E927 HydrophobicContact CB-CB 3.88Å; L869-E927 HydrophobicContact CB-CG 4.26Å; L869-E927 WeakPolarHBondContact CB-O 3.32Å; L869-E927 PolarHBondContact N-O 2.91Å; L869-N930 HydrophobicContact CD1-CB 3.79Å; L869-N930 HydrophobicContact CG-CB 4.13Å; L869-N930 PolarHBondContact N-O 3.4Å; L869-V932 HydrophobicContact CD2-CB 4.09Å; L869-V932 HydrophobicContact CD2-CG2 4.14Å; L869-I935 HydrophobicContact CD1-CD1 3.47Å; L869-I935 VanDerWaalsContact CD1-CD1 3.47Å; L869-I935 HydrophobicContact CD1-CG1 4.02Å; L869-I935 HydrophobicContact CD2-CD1 3.65Å; L869-I935 HydrophobicContact CD2-CG1 3.88Å; L869-I935 HydrophobicContact CG-CD1 4.19Å; L869-I935 HydrophobicContact CG-CG1 4.48Å
870	E	84.5	Confident	81.9	Confident	107 Å²	107	48.9 Å²	48.9	50%	0.5	25%	0.251	S	S	.	.	H	α-helix	trans	-70	-43.2	173	-178.2	166.6	-152	0	0	110.2	D868 R873 L874	D868-E870 WeakPolarHBondContact OD1-CB 3.42Å; D868-E870 PolarHBondContact OD1-N 2.88Å; D868-E870 VanDerWaalsContact OD1-N 3.07Å; E870-R873 WeakPolarHBondContact O-CB 3.46Å; E870-R873 PolarHBondContact O-N 3.01Å; E870-L874 WeakPolarHBondContact O-CG 3.26Å; E870-L874 PolarHBondContact O-N 3.18Å
871	M	83.5	Confident	80.8	Confident	81 Å²	81	50.4 Å²	50.4	40%	0.399	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-43.9	167.8	-73.6	-64.6	-66.1	0	0	111.9	D868 R873 L874 H875	D868-M871 PolarHBondContact OD1-N 3.09Å; M871-R873 VanDerWaalsContact C-N 3.3Å; M871-R873 PolarHBondContact O-N 3.26Å; M871-L874 PolarHBondContact O-N 3.44Å; M871-L874 HydrophobicContact SD-CD1 4.22Å; M871-H875 PolarHBondContact O-CD2 2.94Å; M871-H875 VanDerWaalsContact O-CD2 3.3Å; M871-H875 PolarHBondContact O-N 2.63Å; M871-H875 VanDerWaalsContact O-N 3.09Å
872	C	86.6	Confident	79.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-37.1	175.9	-64.1	0	0	0	0	112.4	I861 D868 L869 H875 I876 F910 L940	I861-C872 HydrophobicContact CD1-CB 3.95Å; D868-C872 PolarHBondContact O-N 3.16Å; D868-C872 VanDerWaalsContact O-N 3.13Å; D868-C872 PolarHBondContact O-SG 2.8Å; L869-C872 HydrophobicContact CD2-CB 4.49Å; L869-C872 PolarHBondContact O-N 3.32Å; C872-H875 PolarHBondContact O-N 3.47Å; C872-I876 WeakPolarHBondContact O-CG1 3.41Å; C872-I876 PolarHBondContact O-N 2.97Å; C872-F910 HydrophobicContact CB-CZ 4.29Å; C872-L940 HydrophobicContact CB-CD2 4.3Å
873	R	89.3	Confident	77.5	Confident	6 Å²	6	56.8 Å²	56.8	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-47.8	173.5	170.5	178.2	-68.4	-81.5	0.3	111.2	L869 E870 M871 H875 I876 E877 W908 F910 E927	L869-R873 VanDerWaalsContact O-CB 3.31Å; L869-R873 WeakPolarHBondContact O-CB 3.31Å; L869-R873 PolarHBondContact O-N 3.12Å; E870-R873 WeakPolarHBondContact O-CB 3.46Å; E870-R873 PolarHBondContact O-N 3.01Å; M871-R873 VanDerWaalsContact C-N 3.3Å; M871-R873 PolarHBondContact O-N 3.26Å; R873-H875 PolarHBondContact O-N 2.86Å; R873-I876 PolarHBondContact O-N 3.06Å; R873-E877 WeakPolarHBondContact CD-OE1 3.47Å; R873-E877 VanDerWaalsContact CG-CD 3.42Å; R873-E877 HydrophobicContact CG-CG 4.2Å; R873-E877 WeakPolarHBondContact CG-OE1 3.19Å; R873-E877 IonicContact NH1-OE1 2.68Å; R873-E877 PolarHBondContact NH1-OE1 3.33Å; R873-E877 VanDerWaalsContact NH1-OE1 3.16Å; R873-E877 WeakPolarHBondContact O-CB 3.44Å; R873-E877 WeakPolarHBondContact O-CG 3.49Å; R873-E877 PolarHBondContact O-N 2.84Å; R873-W908 HydrophobicContact CB-CH2 4.04Å; R873-W908 HydrophobicContact CB-CZ2 4.32Å; R873-W908 HydrophobicContact CG-CH2 4.03Å; R873-W908 HydrophobicContact CG-CZ2 3.85Å; R873-W908 VanDerWaalsContact NH1-CZ2 3.29Å; R873-W908 PolarHBondContact NH2-O 3.15Å; R873-F910 HydrophobicContact CB-CE2 4.04Å; R873-F910 HydrophobicContact CB-CZ 4.01Å; R873-E927 IonicContact CZ-OE1 2.93Å; R873-E927 IonicContact CZ-OE2 2.73Å; R873-E927 IonicContact NE-OE1 3.39Å; R873-E927 IonicContact NE-OE2 3.13Å; R873-E927 PolarHBondContact NE-OE2 2.95Å; R873-E927 IonicContact NH2-OE1 3.42Å; R873-E927 PolarHBondContact NH2-OE1 3.03Å; R873-E927 IonicContact NH2-OE2 3.47Å
874	L	84.4	Confident	75.6	Confident	72 Å²	72	63.8 Å²	63.8	38%	0.377	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-33.4	175.6	-68.9	172.7	0	0	0	112.5	E870 M871 R878	E870-L874 WeakPolarHBondContact O-CG 3.26Å; E870-L874 PolarHBondContact O-N 3.18Å; M871-L874 PolarHBondContact O-N 3.44Å; M871-L874 HydrophobicContact SD-CD1 4.22Å; L874-R878 WeakPolarHBondContact O-CB 3.39Å; L874-R878 VanDerWaalsContact O-CD 3.28Å; L874-R878 WeakPolarHBondContact O-CD 3.38Å; L874-R878 WeakPolarHBondContact O-CG 3.25Å; L874-R878 PolarHBondContact O-N 2.82Å
875	H	82.9	Confident	73.8	Confident	53 Å²	53	69.1 Å²	69.1	25%	0.245	35%	0.351	C	S	.	.	H	α-helix	trans	-73.9	-37.3	173.1	-82.2	-93.7	0	0	0	113	I861 V863 M871 C872 R873 L879	I861-H875 HydrophobicContact CB-CB 4.27Å; I861-H875 HydrophobicContact CG2-CB 3.91Å; V863-H875 HydrophobicContact CG1-CB 4.29Å; M871-H875 PolarHBondContact O-CD2 2.94Å; M871-H875 VanDerWaalsContact O-CD2 3.3Å; M871-H875 PolarHBondContact O-N 2.63Å; M871-H875 VanDerWaalsContact O-N 3.09Å; C872-H875 PolarHBondContact O-N 3.47Å; R873-H875 PolarHBondContact O-N 2.86Å; H875-L879 PolarHBondContact O-N 3.12Å; H875-L879 VanDerWaalsContact O-N 3.12Å
876	I	86.9	Confident	72.3	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-68	-40.3	175.4	-72.1	164.8	0	0	0	111.8	V833 L858 I861 C872 R873 L879 Q880 L904 W908 F910 L940 I942	V833-I876 HydrophobicContact CG1-CD1 3.87Å; V833-I876 HydrophobicContact CG1-CG1 4.16Å; V833-I876 HydrophobicContact CG2-CD1 4.04Å; V833-I876 HydrophobicContact CG2-CG1 3.97Å; L858-I876 HydrophobicContact CD2-CG2 3.74Å; I861-I876 HydrophobicContact CD1-CG1 4.43Å; I861-I876 HydrophobicContact CG2-CG1 3.97Å; C872-I876 WeakPolarHBondContact O-CG1 3.41Å; C872-I876 PolarHBondContact O-N 2.97Å; R873-I876 PolarHBondContact O-N 3.06Å; I876-L879 WeakPolarHBondContact O-CB 3.23Å; I876-L879 PolarHBondContact O-N 3.32Å; I876-Q880 WeakPolarHBondContact O-CG 3.5Å; I876-L904 HydrophobicContact CG2-CD1 3.98Å; I876-W908 HydrophobicContact CB-CH2 4.26Å; I876-W908 HydrophobicContact CB-CZ2 4.14Å; I876-W908 HydrophobicContact CD1-CH2 3.93Å; I876-W908 HydrophobicContact CG2-CH2 3.99Å; I876-W908 HydrophobicContact CG2-CZ2 3.62Å; I876-F910 HydrophobicContact CD1-CE1 3.62Å; I876-F910 HydrophobicContact CD1-CZ 4Å; I876-L940 HydrophobicContact CD1-CD2 4.14Å; I876-I942 HydrophobicContact CD1-CG2 4.49Å
877	E	83	Confident	70.6	Confident	58 Å²	58	78 Å²	78	27%	0.271	39%	0.394	S	S	.	.	H	α-helix	trans	-68	-39.1	177.6	-70.8	169.5	179.8	0	0	110.2	R873 L879 Q880 D881 W908	R873-E877 WeakPolarHBondContact CD-OE1 3.47Å; R873-E877 VanDerWaalsContact CG-CD 3.42Å; R873-E877 HydrophobicContact CG-CG 4.2Å; R873-E877 WeakPolarHBondContact CG-OE1 3.19Å; R873-E877 IonicContact NH1-OE1 2.68Å; R873-E877 PolarHBondContact NH1-OE1 3.33Å; R873-E877 VanDerWaalsContact NH1-OE1 3.16Å; R873-E877 WeakPolarHBondContact O-CB 3.44Å; R873-E877 WeakPolarHBondContact O-CG 3.49Å; R873-E877 PolarHBondContact O-N 2.84Å; E877-L879 VanDerWaalsContact C-N 3.35Å; E877-L879 PolarHBondContact O-N 3.17Å; E877-Q880 WeakPolarHBondContact O-CB 3.47Å; E877-Q880 PolarHBondContact O-N 3.46Å; E877-D881 PolarHBondContact O-N 3.3Å; E877-W908 HydrophobicContact CG-CZ2 4.34Å
878	R	78.2	Confident	68.4	Low	140 Å²	140	86.4 Å²	86.4	53%	0.528	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-32.6	171.2	-74	167.2	-170.4	155	3.5	114.4	L874 Q880 D881 N882	L874-R878 WeakPolarHBondContact O-CB 3.39Å; L874-R878 VanDerWaalsContact O-CD 3.28Å; L874-R878 WeakPolarHBondContact O-CD 3.38Å; L874-R878 WeakPolarHBondContact O-CG 3.25Å; L874-R878 PolarHBondContact O-N 2.82Å; R878-Q880 PolarHBondContact O-N 3.28Å; R878-D881 PolarHBondContact O-N 3.06Å; R878-N882 PolarHBondContact O-N 3.04Å
879	L	76.3	Confident	65.8	Low	73 Å²	73	93 Å²	93	38%	0.382	46%	0.462	S	S	.	.	H	α-helix	trans	-64.7	-17	172	-74.8	177.1	0	0	0	112.7	I861 H875 I876 E877	I861-L879 HydrophobicContact CG2-CD1 3.53Å; I861-L879 HydrophobicContact CG2-CG 4.32Å; H875-L879 PolarHBondContact O-N 3.12Å; H875-L879 VanDerWaalsContact O-N 3.12Å; I876-L879 WeakPolarHBondContact O-CB 3.23Å; I876-L879 PolarHBondContact O-N 3.32Å; E877-L879 VanDerWaalsContact C-N 3.35Å; E877-L879 PolarHBondContact O-N 3.17Å
880	Q	67.9	Low	63.2	Low	50 Å²	50	100.8 Å²	100.8	23%	0.234	50%	0.503	C	S	.	.	H	α-helix	trans	-89	-28.2	176.7	-50.6	-129.5	-76.3	0	0	112.8	I876 E877 R878 Q902	I876-Q880 WeakPolarHBondContact O-CG 3.5Å; E877-Q880 WeakPolarHBondContact O-CB 3.47Å; E877-Q880 PolarHBondContact O-N 3.46Å; R878-Q880 PolarHBondContact O-N 3.28Å; Q880-Q902 PolarHBondContact NE2-O 2.85Å
881	D	62.3	Low	60.6	Low	101 Å²	101	99.6 Å²	99.6	54%	0.54	52%	0.52	S	S	.	.	H	α-helix	trans	-96.5	-7.3	-172.8	-67.1	-24.4	0	0	0	113.7	E877 R878 K903	E877-D881 PolarHBondContact O-N 3.3Å; R878-D881 PolarHBondContact O-N 3.06Å; D881-K903 IonicContact OD1-NZ 3.19Å; D881-K903 PolarHBondContact OD1-NZ 3.41Å
882	N	53	Low	58	Low	116 Å²	116	103.7 Å²	103.7	62%	0.62	54%	0.543	S	S	*	.			trans	-139.5	96.8	171.3	-83.9	-61.1	0	0	0	111.9	R878	R878-N882 PolarHBondContact O-N 3.04Å
883	P	50.6	Low	55.4	Low	95 Å²	95	111.4 Å²	111.4	62%	0.617	58%	0.579	S	S	*	*			trans	-80.3	-19.1	173.1	30.6	-32.4	0	0	0	114	Q885	P883-Q885 PolarHBondContact O-N 2.7Å
884	D	44.2	Very low	52.6	Low	146 Å²	146	119.8 Å²	119.8	78%	0.781	62%	0.621	S	S	*	*			trans	-102.5	35.8	-161.4	-54.5	-42.4	0	0	0	115
885	Q	38.8	Very low	50.2	Low	172 Å²	172	125.4 Å²	125.4	80%	0.804	64%	0.642	S	S	*	*			trans	-120.1	73.9	170	-77	-163.6	-10.1	0	0	112.1	P883	P883-Q885 PolarHBondContact O-N 2.7Å
886	E	38.4	Very low	47.6	Very low	190 Å²	190	126.3 Å²	126.3	89%	0.888	67%	0.666	S	S	*	*			trans	-68.8	140.1	161.3	-63.6	-170.1	147	0	0	110.3
887	V	37.8	Very low	44.9	Very low	130 Å²	130	135 Å²	135	79%	0.788	71%	0.706	S	S	*	*			trans	-97	119	174.3	175.5	0	0	0	0	108.4	Q889	V887-Q889 PolarHBondContact O-N 3.13Å; V887-Q889 VanDerWaalsContact O-N 3.14Å
888	E	35.3	Very low	42.4	Very low	188 Å²	188	138.1 Å²	138.1	88%	0.879	74%	0.735	S	S	*	*			trans	-62.2	111.4	177.2	-64.9	-176.3	147.3	0	0	111.8
889	Q	31.6	Very low	40.4	Very low	175 Å²	175	138.4 Å²	138.4	82%	0.818	75%	0.746	S	S	*	*			trans	-160.7	103.1	158.6	-128.4	144.3	98.4	0	0	113.4	V887	V887-Q889 PolarHBondContact O-N 3.13Å; V887-Q889 VanDerWaalsContact O-N 3.14Å
890	D	30.9	Very low	38.7	Very low	163 Å²	163	137.8 Å²	137.8	87%	0.872	75%	0.748	S	S	*	*			trans	31.6	85.3	155.6	-61.7	-22.2	0	0	0	120.2
891	G	30.5	Very low	37.7	Very low	82 Å²	82	141.5 Å²	141.5	85%	0.845	78%	0.779	S	S	*	*				65.7	108.1	119.2	0	0	0	0	0	121.7
892	D	28.2	Very low	37.5	Very low	167 Å²	167	139.9 Å²	139.9	89%	0.893	77%	0.768	S	S	*	*				-154.8	154.4	110.1	-154.3	-7.3	0	0	0	110.2
893	E	33.2	Very low	38.2	Very low	163 Å²	163	141.6 Å²	141.6	76%	0.762	77%	0.77	S	S	*	*			trans	-88.4	113.3	-176.5	-86.6	-160.9	101.5	0	0	113.3
894	M	31	Very low	39.4	Very low	181 Å²	181	137.8 Å²	137.8	89%	0.892	75%	0.745	S	S	*	*			trans	-144.6	113.8	156.4	-175.5	63.1	75.3	0	0	110.6	G896	M894-G896 PolarHBondContact O-N 3.44Å; M894-G896 VanDerWaalsContact O-N 3.13Å
895	K	33.3	Very low	40.7	Very low	190 Å²	190	131 Å²	131	83%	0.826	71%	0.709	S	S	*	*			trans	-72.7	103.6	-176.4	-72.9	178.3	178.1	172	0	112
896	G	28.4	Very low	42.3	Very low	72 Å²	72	129.3 Å²	129.3	74%	0.742	70%	0.704	S	S	*	*			trans	-87.8	139.9	159.8	0	0	0	0	0	111.1	M894	M894-G896 PolarHBondContact O-N 3.44Å; M894-G896 VanDerWaalsContact O-N 3.13Å
897	E	29.8	Very low	44.1	Very low	182 Å²	182	125.6 Å²	125.6	85%	0.85	69%	0.69	S	S	*	*			trans	-74	139.2	179.9	-62.7	-178.8	121.5	0	0	111.9	L899	E897-L899 PolarHBondContact O-N 3.48Å
898	S	30	Very low	46.6	Very low	125 Å²	125	119.9 Å²	119.9	87%	0.874	66%	0.655	S	S	*	*			trans	-76.2	93.9	-176	42.4	0	0	0	0	112.4	S900	S898-S900 VanDerWaalsContact C-N 3.31Å; S898-S900 PolarHBondContact O-N 2.91Å
899	L	36.7	Very low	49.1	Very low	146 Å²	146	112 Å²	112	76%	0.764	62%	0.62	S	S	*	*			trans	-74	71.5	-174.3	-74.4	172.5	0	0	0	115	E897	E897-L899 PolarHBondContact O-N 3.48Å
900	S	40.9	Very low	52	Low	59 Å²	59	103.7 Å²	103.7	41%	0.413	58%	0.581	S	S	.	*			trans	48.5	110.1	157.3	66.6	0	0	0	0	118.7	S898 Q902	S898-S900 VanDerWaalsContact C-N 3.31Å; S898-S900 PolarHBondContact O-N 2.91Å; S900-Q902 VanDerWaalsContact C-N 3.35Å; S900-Q902 PolarHBondContact O-N 2.76Å
901	S	46.9	Very low	54.6	Low	129 Å²	129	96 Å²	96	90%	0.902	54%	0.54	S	S	*	.			trans	-62.4	85.4	168.1	-43.6	0	0	0	0	112.3
902	Q	57.8	Low	57.2	Low	66 Å²	66	92.7 Å²	92.7	31%	0.308	50%	0.503	S	S	.	.			trans	-96.6	113.8	169.3	-72.3	178.7	-49.1	0	0	109.2	Q880 S900	Q880-Q902 PolarHBondContact NE2-O 2.85Å; S900-Q902 VanDerWaalsContact C-N 3.35Å; S900-Q902 PolarHBondContact O-N 2.76Å
903	K	67.2	Low	59.6	Low	152 Å²	152	85.6 Å²	85.6	66%	0.661	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-62.3	138.5	171.3	-165.1	162.7	-174.6	124.6	0	109.3	D881	D881-K903 IonicContact OD1-NZ 3.19Å; D881-K903 PolarHBondContact OD1-NZ 3.41Å
904	L	76.4	Confident	61.4	Low	15 Å²	15	81.2 Å²	81.2	8%	0.079	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-72.8	150.9	-179.1	-68.9	161.8	0	0	0	111	L858 I876 W908 I942 D944	L858-L904 HydrophobicContact CD1-CD1 4.11Å; L858-L904 HydrophobicContact CD1-CD2 3.98Å; L858-L904 HydrophobicContact CD1-CG 4.13Å; L858-L904 HydrophobicContact CD2-CD1 4Å; I876-L904 HydrophobicContact CG2-CD1 3.98Å; L904-W908 HydrophobicContact CB-CG 4.13Å; L904-W908 HydrophobicContact CD1-CD2 4.36Å; L904-W908 HydrophobicContact CD1-CG 4.28Å; L904-I942 HydrophobicContact CD1-CD1 3.66Å; L904-I942 HydrophobicContact CD2-CD1 3.76Å; L904-I942 HydrophobicContact CG-CD1 4.39Å; L904-D944 HydrophobicContact CD2-CB 4.33Å; L904-D944 WeakPolarHBondContact CD2-OD2 3.29Å
905	S	72.6	Confident	62.9	Low	5 Å²	5	75.5 Å²	75.5	4%	0.035	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-51.9	141	169.3	169.9	0	0	0	0	111.9	N907 W908 D944 E946	S905-N907 PolarHBondContact O-N 3.41Å; S905-N907 PolarHBondContact OG-N 3.24Å; S905-W908 PolarHBondContact O-N 3.15Å; S905-W908 VanDerWaalsContact O-N 3.09Å; S905-D944 WeakPolarHBondContact CB-OD1 3.41Å; S905-D944 PolarHBondContact N-OD2 2.91Å; S905-E946 VanDerWaalsContact CB-OE1 3.26Å; S905-E946 WeakPolarHBondContact CB-OE1 3.44Å; S905-E946 PolarHBondContact OG-OE1 2.83Å
906	I	70.8	Confident	63.7	Low	136 Å²	136	70.2 Å²	70.2	70%	0.697	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.8	172.1	-164.2	167.1	0	0	0	113.4
907	N	77.4	Confident	65.2	Low	112 Å²	112	73.1 Å²	73.1	60%	0.599	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	16.4	-177.9	-58.2	-56.9	0	0	0	114	S905 P945	S905-N907 PolarHBondContact O-N 3.41Å; S905-N907 PolarHBondContact OG-N 3.24Å; N907-P945 HydrophobicContact CB-CG 4.43Å
908	W	88.8	Confident	67.2	Low	9 Å²	9	70 Å²	70	3%	0.034	40%	0.397	C	S	.	.			trans	-64.1	143.4	175.2	77.1	-103.7	0	0	0	112.1	R873 I876 E877 L904 S905 F910 I942 L943	R873-W908 HydrophobicContact CB-CH2 4.04Å; R873-W908 HydrophobicContact CB-CZ2 4.32Å; R873-W908 HydrophobicContact CG-CH2 4.03Å; R873-W908 HydrophobicContact CG-CZ2 3.85Å; R873-W908 VanDerWaalsContact NH1-CZ2 3.29Å; R873-W908 PolarHBondContact NH2-O 3.15Å; I876-W908 HydrophobicContact CB-CH2 4.26Å; I876-W908 HydrophobicContact CB-CZ2 4.14Å; I876-W908 HydrophobicContact CD1-CH2 3.93Å; I876-W908 HydrophobicContact CG2-CH2 3.99Å; I876-W908 HydrophobicContact CG2-CZ2 3.62Å; E877-W908 HydrophobicContact CG-CZ2 4.34Å; L904-W908 HydrophobicContact CB-CG 4.13Å; L904-W908 HydrophobicContact CD1-CD2 4.36Å; L904-W908 HydrophobicContact CD1-CG 4.28Å; S905-W908 PolarHBondContact O-N 3.15Å; S905-W908 VanDerWaalsContact O-N 3.09Å; W908-F910 AromaticContact CH2-CE1 3.81Å; W908-F910 HydrophobicContact CH2-CE1 3.81Å; W908-F910 AromaticContact CH2-CE2 3.85Å; W908-F910 HydrophobicContact CH2-CE2 3.85Å; W908-F910 AromaticContact CH2-CZ 3.43Å; W908-F910 HydrophobicContact CH2-CZ 3.43Å; W908-F910 VanDerWaalsContact CH2-CZ 3.43Å; W908-F910 AromaticContact CZ3-CD1 3.92Å; W908-F910 HydrophobicContact CZ3-CD1 3.92Å; W908-F910 AromaticContact CZ3-CD2 3.98Å; W908-F910 HydrophobicContact CZ3-CD2 3.98Å; W908-F910 AromaticContact CZ3-CE1 3.63Å; W908-F910 HydrophobicContact CZ3-CE1 3.63Å; W908-F910 AromaticContact CZ3-CE2 3.71Å; W908-F910 HydrophobicContact CZ3-CE2 3.71Å; W908-F910 HydrophobicContact CZ3-CG 4.1Å; W908-F910 AromaticContact CZ3-CZ 3.55Å; W908-F910 HydrophobicContact CZ3-CZ 3.55Å; W908-I942 HydrophobicContact CD2-CD1 4.46Å; W908-I942 HydrophobicContact CE3-CB 3.84Å; W908-I942 HydrophobicContact CE3-CD1 4.3Å; W908-I942 HydrophobicContact CE3-CG2 3.74Å; W908-I942 HydrophobicContact CH2-CG2 4.26Å; W908-I942 HydrophobicContact CZ3-CB 4.1Å; W908-I942 HydrophobicContact CZ3-CG2 3.44Å; W908-I942 VanDerWaalsContact CZ3-CG2 3.44Å; W908-L943 WeakPolarHBondContact CA-O 3.29Å
909	C	88.4	Confident	69.5	Low	23 Å²	23	64.2 Å²	64.2	16%	0.155	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.9	-179.1	61.8	0	0	0	0	112.4	I942 L943	C909-I942 CarbonylContact O-C 3.59Å; C909-I942 WeakPolarHBondContact O-CA 3.34Å; C909-L943 PolarHBondContact N-O 3.03Å; C909-L943 VanDerWaalsContact N-O 3.15Å; C909-L943 PolarHBondContact O-N 2.9Å
910	F	92	Very high	71.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	155.5	177	-66.8	-79	0	0	0	112.4	L869 C872 R873 I876 W908 I922 E927 L940 I942	L869-F910 HydrophobicContact CB-CD2 3.91Å; L869-F910 HydrophobicContact CB-CE2 3.71Å; L869-F910 HydrophobicContact CB-CZ 4.18Å; L869-F910 HydrophobicContact CD1-CB 4.17Å; L869-F910 HydrophobicContact CD1-CD2 4.09Å; L869-F910 HydrophobicContact CD1-CG 4.1Å; L869-F910 VanDerWaalsContact O-CE2 3.32Å; L869-F910 WeakPolarHBondContact O-CE2 3.42Å; L869-F910 WeakPolarHBondContact O-CZ 3.39Å; C872-F910 HydrophobicContact CB-CZ 4.29Å; R873-F910 HydrophobicContact CB-CE2 4.04Å; R873-F910 HydrophobicContact CB-CZ 4.01Å; I876-F910 HydrophobicContact CD1-CE1 3.62Å; I876-F910 HydrophobicContact CD1-CZ 4Å; W908-F910 AromaticContact CH2-CE1 3.81Å; W908-F910 HydrophobicContact CH2-CE1 3.81Å; W908-F910 AromaticContact CH2-CE2 3.85Å; W908-F910 HydrophobicContact CH2-CE2 3.85Å; W908-F910 AromaticContact CH2-CZ 3.43Å; W908-F910 HydrophobicContact CH2-CZ 3.43Å; W908-F910 VanDerWaalsContact CH2-CZ 3.43Å; W908-F910 AromaticContact CZ3-CD1 3.92Å; W908-F910 HydrophobicContact CZ3-CD1 3.92Å; W908-F910 AromaticContact CZ3-CD2 3.98Å; W908-F910 HydrophobicContact CZ3-CD2 3.98Å; W908-F910 AromaticContact CZ3-CE1 3.63Å; W908-F910 HydrophobicContact CZ3-CE1 3.63Å; W908-F910 AromaticContact CZ3-CE2 3.71Å; W908-F910 HydrophobicContact CZ3-CE2 3.71Å; W908-F910 HydrophobicContact CZ3-CG 4.1Å; W908-F910 AromaticContact CZ3-CZ 3.55Å; W908-F910 HydrophobicContact CZ3-CZ 3.55Å; F910-I922 HydrophobicContact CB-CB 4.21Å; F910-I922 HydrophobicContact CB-CD1 4.06Å; F910-I922 HydrophobicContact CB-CG1 4.48Å; F910-I922 PolarHBondContact O-N 3.4Å; F910-E927 HydrophobicContact CD2-CG 3.84Å; F910-E927 WeakPolarHBondContact CD2-OE1 3.4Å; F910-E927 HydrophobicContact CE2-CG 4.13Å; F910-L940 HydrophobicContact CD1-CD1 3.74Å; F910-L940 HydrophobicContact CD1-CD2 4.18Å; F910-L940 HydrophobicContact CD1-CG 4.03Å; F910-L940 HydrophobicContact CE1-CD1 4.16Å; F910-L940 HydrophobicContact CE1-CD2 3.73Å; F910-L940 HydrophobicContact CE1-CG 4.05Å; F910-I942 HydrophobicContact CD1-CG2 3.65Å; F910-I942 HydrophobicContact CE1-CG2 3.89Å; F910-I942 HydrophobicContact CG-CG2 4.5Å
911	L	87.1	Confident	73.7	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.6	173	-63	176.6	0	0	0	110.3	I836 Y841 C913 F919 Y920 R921 Y941 L943	I836-L911 HydrophobicContact CB-CD1 4.48Å; I836-L911 HydrophobicContact CD1-CD1 3.93Å; Y841-L911 HydrophobicContact CD2-CD1 4.26Å; Y841-L911 HydrophobicContact CD2-CD2 4.39Å; Y841-L911 HydrophobicContact CE2-CD1 4.25Å; Y841-L911 HydrophobicContact CE2-CD2 3.72Å; L911-C913 PolarHBondContact O-N 3.37Å; L911-F919 HydrophobicContact CB-CB 4.49Å; L911-F919 HydrophobicContact CB-CD1 3.79Å; L911-F919 HydrophobicContact CB-CE1 4.45Å; L911-F919 HydrophobicContact CB-CG 4.49Å; L911-F919 HydrophobicContact CD1-CD1 4.37Å; L911-Y920 CarbonylContact C-O 3.57Å; L911-Y920 VanDerWaalsContact CA-O 3.28Å; L911-Y920 WeakPolarHBondContact CA-O 3.42Å; L911-R921 HydrophobicContact CD2-CB 4.43Å; L911-R921 HydrophobicContact CD2-CG 3.76Å; L911-Y941 PolarHBondContact N-O 2.82Å; L911-L943 HydrophobicContact CD1-CB 4.09Å; L911-L943 HydrophobicContact CD2-CB 4.04Å; L911-L943 HydrophobicContact CG-CB 4.05Å
912	D	84.9	Confident	75.4	Confident	14 Å²	14	58.6 Å²	58.6	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.2	167.4	167.4	46.1	0	0	0	109.6	T914 T915 F919 Y920 I922 I935	D912-T914 WeakPolarHBondContact OD1-CB 3.29Å; D912-T914 PolarHBondContact OD1-N 3.09Å; D912-T914 PolarHBondContact OD1-OG1 3.29Å; D912-T915 WeakPolarHBondContact OD2-CB 3.49Å; D912-T915 PolarHBondContact OD2-N 2.81Å; D912-T915 PolarHBondContact OD2-OG1 2.94Å; D912-F919 WeakPolarHBondContact O-CA 3.46Å; D912-F919 WeakPolarHBondContact O-CD1 3.24Å; D912-Y920 PolarHBondContact N-O 3.09Å; D912-Y920 PolarHBondContact O-N 3.41Å; D912-I922 HydrophobicContact CB-CD1 4.24Å; D912-I922 HydrophobicContact CB-CG1 4.42Å; D912-I935 HydrophobicContact CB-CB 4.43Å; D912-I935 HydrophobicContact CB-CG2 4.34Å
913	C	77.8	Confident	76.4	Confident	18 Å²	18	60 Å²	60	12%	0.122	31%	0.307	C	S	.	.			trans	-109.2	-1.4	175.6	83.8	0	0	0	0	113.4	K848 L911 F919 I935 Y941	K848-C913 WeakPolarHBondContact CE-O 3.44Å; K848-C913 PolarHBondContact NZ-O 3.12Å; L911-C913 PolarHBondContact O-N 3.37Å; C913-F919 HydrophobicContact CB-CD1 3.99Å; C913-F919 HydrophobicContact CB-CE1 3.51Å; C913-F919 HydrophobicContact CB-CZ 4.38Å; C913-I935 PolarHBondContact N-O 3Å; C913-I935 PolarHBondContact SG-O 2.9Å; C913-Y941 HydrophobicContact CB-CD2 4.11Å; C913-Y941 HydrophobicContact CB-CE2 4.49Å
914	T	70.3	Confident	76.8	Confident	71 Å²	71	59.4 Å²	59.4	44%	0.436	30%	0.3	S	S	.	.			trans	-84.7	-30.2	-178.5	65.6	0	0	0	0	113.5	D912 A916 E934 I935	D912-T914 WeakPolarHBondContact OD1-CB 3.29Å; D912-T914 PolarHBondContact OD1-N 3.09Å; D912-T914 PolarHBondContact OD1-OG1 3.29Å; T914-A916 PolarHBondContact O-N 3.18Å; T914-E934 WeakPolarHBondContact CG2-O 3.41Å; T914-E934 PolarHBondContact OG1-O 2.96Å; T914-I935 VanDerWaalsContact CG2-C 3.48Å
915	T	64	Low	76.5	Confident	60 Å²	60	62.3 Å²	62.3	37%	0.368	33%	0.327	S	S	.	.	S	Bend	trans	-58.6	136	175.5	-61.4	0	0	0	0	110.7	K848 D912 D917 Y920	K848-T915 PolarHBondContact NZ-O 3.13Å; D912-T915 WeakPolarHBondContact OD2-CB 3.49Å; D912-T915 PolarHBondContact OD2-N 2.81Å; D912-T915 PolarHBondContact OD2-OG1 2.94Å; T915-D917 PolarHBondContact O-N 3.41Å; T915-Y920 HydrophobicContact CG2-CD2 3.93Å; T915-Y920 HydrophobicContact CG2-CE2 3.39Å
916	A	49.2	Very low	76.4	Confident	79 Å²	79	65.8 Å²	65.8	65%	0.653	34%	0.342	S	S	*	.	S	Bend	trans	-58.9	-44.4	-159.6	0	0	0	0	0	114.3	T914	T914-A916 PolarHBondContact O-N 3.18Å
917	D	60.6	Low	76.8	Confident	134 Å²	134	59.4 Å²	59.4	72%	0.717	31%	0.31	S	S	*	.	S	Bend	trans	-103	-18.5	-162.5	-57.6	-20.6	0	0	0	114.7	T915	T915-D917 PolarHBondContact O-N 3.41Å
918	R	70.7	Confident	76.6	Confident	117 Å²	117	57.6 Å²	57.6	44%	0.442	30%	0.297	S	S	.	.	S	Bend	trans	-157.5	161.7	-169.7	-60.2	-177.5	-171.4	-151	-6.7	112.2	Y920	R918-Y920 HydrophobicContact CB-CD2 4.45Å; R918-Y920 HydrophobicContact CB-CE2 3.87Å; R918-Y920 WeakPolarHBondContact O-CD2 3.09Å
919	F	80	Confident	75.8	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.009	32%	0.318	C	S	.	.			trans	-73.2	146.3	158.1	-74.8	-78.7	0	0	0	111.5	I836 Y841 K848 L851 K852 L911 D912 C913 Y941	I836-F919 HydrophobicContact CD1-CE2 4.49Å; I836-F919 HydrophobicContact CD1-CZ 4.47Å; Y841-F919 HydrophobicContact CE2-CB 4.34Å; K848-F919 HydrophobicContact CG-CD2 4.29Å; K848-F919 HydrophobicContact CG-CE2 4.08Å; K848-F919 WeakPolarHBondContact O-CE2 3.34Å; L851-F919 HydrophobicContact CB-CD2 3.9Å; L851-F919 HydrophobicContact CB-CE2 3.65Å; L851-F919 HydrophobicContact CD1-CD2 3.95Å; K852-F919 HydrophobicContact CG-CE2 4.36Å; K852-F919 HydrophobicContact CG-CZ 4.02Å; L911-F919 HydrophobicContact CB-CB 4.49Å; L911-F919 HydrophobicContact CB-CD1 3.79Å; L911-F919 HydrophobicContact CB-CE1 4.45Å; L911-F919 HydrophobicContact CB-CG 4.49Å; L911-F919 HydrophobicContact CD1-CD1 4.37Å; D912-F919 WeakPolarHBondContact O-CA 3.46Å; D912-F919 WeakPolarHBondContact O-CD1 3.24Å; C913-F919 HydrophobicContact CB-CD1 3.99Å; C913-F919 HydrophobicContact CB-CE1 3.51Å; C913-F919 HydrophobicContact CB-CZ 4.38Å; F919-Y941 HydrophobicContact CE1-CD1 4.27Å; F919-Y941 AromaticContact CE1-CD2 3.66Å; F919-Y941 HydrophobicContact CE1-CD2 3.66Å; F919-Y941 HydrophobicContact CE1-CE2 4.31Å; F919-Y941 AromaticContact CE1-CG 3.64Å; F919-Y941 HydrophobicContact CE1-CG 3.64Å; F919-Y941 HydrophobicContact CZ-CD1 4.12Å; F919-Y941 HydrophobicContact CZ-CD2 4.02Å; F919-Y941 HydrophobicContact CZ-CE1 4.39Å; F919-Y941 HydrophobicContact CZ-CE2 4.29Å; F919-Y941 AromaticContact CZ-CG 3.94Å; F919-Y941 HydrophobicContact CZ-CG 3.94Å
920	Y	81.8	Confident	75.1	Confident	115 Å²	115	62.3 Å²	62.3	45%	0.451	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.2	173.4	-71.8	-96.7	0	0	0	110.6	L911 D912 T915 R918	L911-Y920 CarbonylContact C-O 3.57Å; L911-Y920 VanDerWaalsContact CA-O 3.28Å; L911-Y920 WeakPolarHBondContact CA-O 3.42Å; D912-Y920 PolarHBondContact N-O 3.09Å; D912-Y920 PolarHBondContact O-N 3.41Å; T915-Y920 HydrophobicContact CG2-CD2 3.93Å; T915-Y920 HydrophobicContact CG2-CE2 3.39Å; R918-Y920 HydrophobicContact CB-CD2 4.45Å; R918-Y920 HydrophobicContact CB-CE2 3.87Å; R918-Y920 WeakPolarHBondContact O-CD2 3.09Å
921	R	83.9	Confident	74.7	Confident	95 Å²	95	66.5 Å²	66.5	36%	0.358	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.4	173.2	-62	178.2	-167.5	-163.1	-1.8	109.9	M838 L911 L943	M838-R921 VanDerWaalsContact CE-NH2 3.33Å; M838-R921 PolarHBondContact SD-NH2 3.34Å; L911-R921 HydrophobicContact CD2-CB 4.43Å; L911-R921 HydrophobicContact CD2-CG 3.76Å; R921-L943 HydrophobicContact CG-CD2 4.22Å
922	I	81.9	Confident	74.4	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.2	171.2	-55.7	174.9	0	0	0	106.3	L869 F910 D912 Q926 E927 I935	L869-I922 HydrophobicContact CD1-CD1 3.58Å; L869-I922 HydrophobicContact CD1-CG2 4.41Å; F910-I922 HydrophobicContact CB-CB 4.21Å; F910-I922 HydrophobicContact CB-CD1 4.06Å; F910-I922 HydrophobicContact CB-CG1 4.48Å; F910-I922 PolarHBondContact O-N 3.4Å; D912-I922 HydrophobicContact CB-CD1 4.24Å; D912-I922 HydrophobicContact CB-CG1 4.42Å; I922-Q926 HydrophobicContact CG2-CB 3.89Å; I922-E927 HydrophobicContact CG2-CG 4.41Å; I922-I935 HydrophobicContact CD1-CB 4.33Å; I922-I935 HydrophobicContact CD1-CD1 3.86Å; I922-I935 HydrophobicContact CD1-CG2 3.8Å
923	D	77.8	Confident	74.2	Confident	97 Å²	97	67.8 Å²	67.8	52%	0.519	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-66.2	147	177.9	-59.2	-55.9	0	0	0	110.1	A925 Q926	D923-A925 PolarHBondContact O-N 2.88Å; D923-Q926 HydrophobicContact CB-CG 4.34Å; D923-Q926 WeakPolarHBondContact O-CA 3.36Å; D923-Q926 WeakPolarHBondContact O-CB 3.4Å; D923-Q926 PolarHBondContact O-N 2.88Å; D923-Q926 PolarHBondContact OD2-NE2 3.46Å
924	R	76.4	Confident	74.1	Confident	138 Å²	138	69.9 Å²	69.9	52%	0.521	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-54.3	-33	-176	-167.9	174.5	-178.1	138.9	6.5	113.5	Q926 E927	R924-Q926 PolarHBondContact O-N 3.21Å; R924-E927 PolarHBondContact O-N 3.12Å
925	A	70.1	Confident	74.4	Confident	77 Å²	77	66.6 Å²	66.6	64%	0.636	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-70.4	-9.3	176.1	0	0	0	0	0	114.8	D923 H928	D923-A925 PolarHBondContact O-N 2.88Å; A925-H928 PolarHBondContact O-CE1 2.72Å
926	Q	70.8	Confident	74.7	Confident	77 Å²	77	64 Å²	64	36%	0.36	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-104	-3	179.1	-59.6	169.7	22.6	0	0	112.5	I922 D923 R924 H928 L929 N930	I922-Q926 HydrophobicContact CG2-CB 3.89Å; D923-Q926 HydrophobicContact CB-CG 4.34Å; D923-Q926 WeakPolarHBondContact O-CA 3.36Å; D923-Q926 WeakPolarHBondContact O-CB 3.4Å; D923-Q926 PolarHBondContact O-N 2.88Å; D923-Q926 PolarHBondContact OD2-NE2 3.46Å; R924-Q926 PolarHBondContact O-N 3.21Å; Q926-H928 PolarHBondContact O-N 3.38Å; Q926-L929 WeakPolarHBondContact O-CB 3.46Å; Q926-L929 PolarHBondContact O-N 3.46Å; Q926-N930 PolarHBondContact O-N 3.44Å; Q926-N930 PolarHBondContact O-ND2 3.47Å
927	E	78.8	Confident	75.2	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.014	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-66.2	-37.4	-172.1	-69.6	179.7	-176.4	0	0	112.7	L869 R873 F910 I922 R924 L929	L869-E927 HydrophobicContact CB-CB 3.88Å; L869-E927 HydrophobicContact CB-CG 4.26Å; L869-E927 WeakPolarHBondContact CB-O 3.32Å; L869-E927 PolarHBondContact N-O 2.91Å; R873-E927 IonicContact CZ-OE1 2.93Å; R873-E927 IonicContact CZ-OE2 2.73Å; R873-E927 IonicContact NE-OE1 3.39Å; R873-E927 IonicContact NE-OE2 3.13Å; R873-E927 PolarHBondContact NE-OE2 2.95Å; R873-E927 IonicContact NH2-OE1 3.42Å; R873-E927 PolarHBondContact NH2-OE1 3.03Å; R873-E927 IonicContact NH2-OE2 3.47Å; F910-E927 HydrophobicContact CD2-CG 3.84Å; F910-E927 WeakPolarHBondContact CD2-OE1 3.4Å; F910-E927 HydrophobicContact CE2-CG 4.13Å; I922-E927 HydrophobicContact CG2-CG 4.41Å; R924-E927 PolarHBondContact O-N 3.12Å; E927-L929 PolarHBondContact O-N 2.82Å
928	H	73.5	Confident	75.9	Confident	73 Å²	73	66.8 Å²	66.8	34%	0.338	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-73.8	-8.3	173	70.7	-92.3	0	0	0	114.2	A925 Q926 V1144	A925-H928 PolarHBondContact O-CE1 2.72Å; Q926-H928 PolarHBondContact O-N 3.38Å; H928-V1144 VanDerWaalsContact NE2-CG1 3.32Å; H928-V1144 WeakPolarHBondContact NE2-CG1 3.44Å
929	L	70.8	Confident	76.6	Confident	90 Å²	90	64 Å²	64	47%	0.471	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-98.8	-11.4	178.9	-62.2	178	0	0	0	113.3	Q926 E927 V1144	Q926-L929 WeakPolarHBondContact O-CB 3.46Å; Q926-L929 PolarHBondContact O-N 3.46Å; E927-L929 PolarHBondContact O-N 2.82Å; L929-V1144 HydrophobicContact CD2-CG1 4.21Å
930	N	75.2	Confident	77.1	Confident	42 Å²	42	63.9 Å²	63.9	23%	0.225	31%	0.309	C	S	.	.	S	Bend	trans	-112.4	129.8	179.8	-70.6	-89.2	0	0	0	109.1	D868 L869 Q926 I935	D868-N930 WeakPolarHBondContact CA-O 3.37Å; L869-N930 HydrophobicContact CD1-CB 3.79Å; L869-N930 HydrophobicContact CG-CB 4.13Å; L869-N930 PolarHBondContact N-O 3.4Å; Q926-N930 PolarHBondContact O-N 3.44Å; Q926-N930 PolarHBondContact O-ND2 3.47Å; N930-I935 HydrophobicContact CB-CG2 4.13Å
931	Y	82.4	Confident	77.5	Confident	88 Å²	88	58.6 Å²	58.6	35%	0.345	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-87.2	148.4	171.4	-69.1	-75.9	0	0	0	110.8	D866 D868 T933 E934 I935	D866-Y931 WeakPolarHBondContact O-CD1 3.21Å; D866-Y931 WeakPolarHBondContact O-CE1 3.21Å; D868-Y931 HydrophobicContact CB-CD1 4.44Å; D868-Y931 HydrophobicContact CB-CE1 4.42Å; Y931-T933 PolarHBondContact O-N 2.77Å; Y931-T933 VanDerWaalsContact O-N 3.17Å; Y931-E934 WeakPolarHBondContact O-CA 3.4Å; Y931-E934 WeakPolarHBondContact O-CB 3.32Å; Y931-E934 PolarHBondContact O-N 3.4Å; Y931-I935 PolarHBondContact O-N 3.46Å
932	V	81.6	Confident	77.9	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-31	-178.7	77.4	0	0	0	0	112.3	L829 I831 V863 S867 L869 E934 I935 S936 L940	L829-V932 HydrophobicContact CD1-CG1 4.23Å; I831-V932 HydrophobicContact CD1-CB 4.26Å; I831-V932 HydrophobicContact CD1-CG1 3.73Å; I831-V932 HydrophobicContact CD1-CG2 3.5Å; V863-V932 HydrophobicContact CG2-CG1 4.24Å; S867-V932 PolarHBondContact O-N 2.85Å; L869-V932 HydrophobicContact CD2-CB 4.09Å; L869-V932 HydrophobicContact CD2-CG2 4.14Å; V932-E934 VanDerWaalsContact C-N 3.27Å; V932-E934 PolarHBondContact O-N 3.03Å; V932-I935 PolarHBondContact O-N 3.37Å; V932-S936 PolarHBondContact O-N 3.23Å; V932-L940 HydrophobicContact CG2-CD2 4.16Å
933	T	79.7	Confident	78.2	Confident	41 Å²	41	53.8 Å²	53.8	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-75.9	-5.1	173.3	53.1	0	0	0	0	115.3	L829 G865 Y931 S936	L829-T933 HydrophobicContact CD1-CG2 3.29Å; G865-T933 WeakPolarHBondContact O-CG2 3.38Å; G865-T933 PolarHBondContact O-OG1 2.91Å; Y931-T933 PolarHBondContact O-N 2.77Å; Y931-T933 VanDerWaalsContact O-N 3.17Å; T933-S936 CarbonylContact C-O 3.55Å; T933-S936 WeakPolarHBondContact CA-O 3.45Å
934	E	75.7	Confident	78.6	Confident	61 Å²	61	49.4 Å²	49.4	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-101.8	-14.9	175.3	-65.9	-170.6	133.5	0	0	112.5	T914 Y931 V932	T914-E934 WeakPolarHBondContact CG2-O 3.41Å; T914-E934 PolarHBondContact OG1-O 2.96Å; Y931-E934 WeakPolarHBondContact O-CA 3.4Å; Y931-E934 WeakPolarHBondContact O-CB 3.32Å; Y931-E934 PolarHBondContact O-N 3.4Å; V932-E934 VanDerWaalsContact C-N 3.27Å; V932-E934 PolarHBondContact O-N 3.03Å
935	I	76.8	Confident	78.6	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-118.6	-9.7	178.4	68.6	137.5	0	0	0	114.5	L869 D912 C913 T914 I922 N930 Y931 V932 L940	L869-I935 HydrophobicContact CD1-CD1 3.47Å; L869-I935 VanDerWaalsContact CD1-CD1 3.47Å; L869-I935 HydrophobicContact CD1-CG1 4.02Å; L869-I935 HydrophobicContact CD2-CD1 3.65Å; L869-I935 HydrophobicContact CD2-CG1 3.88Å; L869-I935 HydrophobicContact CG-CD1 4.19Å; L869-I935 HydrophobicContact CG-CG1 4.48Å; D912-I935 HydrophobicContact CB-CB 4.43Å; D912-I935 HydrophobicContact CB-CG2 4.34Å; C913-I935 PolarHBondContact N-O 3Å; C913-I935 PolarHBondContact SG-O 2.9Å; T914-I935 VanDerWaalsContact CG2-C 3.48Å; I922-I935 HydrophobicContact CD1-CB 4.33Å; I922-I935 HydrophobicContact CD1-CD1 3.86Å; I922-I935 HydrophobicContact CD1-CG2 3.8Å; N930-I935 HydrophobicContact CB-CG2 4.13Å; Y931-I935 PolarHBondContact O-N 3.46Å; V932-I935 PolarHBondContact O-N 3.37Å; I935-L940 HydrophobicContact CD1-CD1 3.37Å; I935-L940 HydrophobicContact CG1-CD1 4.37Å
936	S	71.1	Confident	78.5	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.042	24%	0.237	C	C	.	.			trans	-154.5	178.7	165.2	-163.9	0	0	0	0	112.4	V932 T933 E939	V932-S936 PolarHBondContact O-N 3.23Å; T933-S936 CarbonylContact C-O 3.55Å; T933-S936 WeakPolarHBondContact CA-O 3.45Å; S936-E939 VanDerWaalsContact CB-O 3.3Å; S936-E939 WeakPolarHBondContact CB-O 3.49Å; S936-E939 PolarHBondContact OG-N 3.22Å; S936-E939 VanDerWaalsContact OG-N 3.12Å; S936-E939 PolarHBondContact OG-O 3.3Å
937	Q	59.3	Low	78.3	Confident	155 Å²	155	45.4 Å²	45.4	72%	0.724	23%	0.226	S	C	*	.	S	Bend	trans	-116.8	-53.9	170	-65.6	178.8	0.5	0	0	109.5
938	D	75.4	Confident	77.3	Confident	115 Å²	115	50.8 Å²	50.8	62%	0.615	26%	0.259	S	S	*	.	S	Bend	trans	-126.9	-18.1	-177.5	-48.2	-69	0	0	0	114.8	R832	R832-D938 PolarHBondContact N-O 3.2Å
939	E	85.7	Confident	76	Confident	58 Å²	58	50.5 Å²	50.5	27%	0.271	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	109.7	-171.8	-64.4	-166.2	105.4	0	0	113.1	R832 N834 K852 S936 Y941	R832-E939 CarbonylContact O-C 3.56Å; R832-E939 WeakPolarHBondContact O-CA 3.42Å; N834-E939 PolarHBondContact ND2-OE1 3.23Å; N834-E939 VanDerWaalsContact ND2-OE1 3.16Å; K852-E939 IonicContact NZ-OE2 2.78Å; K852-E939 PolarHBondContact NZ-OE2 2.92Å; S936-E939 VanDerWaalsContact CB-O 3.3Å; S936-E939 WeakPolarHBondContact CB-O 3.49Å; S936-E939 PolarHBondContact OG-N 3.22Å; S936-E939 VanDerWaalsContact OG-N 3.12Å; S936-E939 PolarHBondContact OG-O 3.3Å; E939-Y941 HydrophobicContact CB-CE2 3.71Å; E939-Y941 VanDerWaalsContact CD-OH 3.25Å; E939-Y941 WeakPolarHBondContact O-CD2 3.18Å; E939-Y941 WeakPolarHBondContact O-CE2 3.4Å; E939-Y941 PolarHBondContact OE1-OH 3.19Å; E939-Y941 PolarHBondContact OE2-OH 3.48Å
940	L	90.3	Very high	74.7	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.5	179.3	-177.3	53.2	0	0	0	110.7	I831 R832 V833 N834 I861 C872 I876 F910 V932 I935	I831-L940 HydrophobicContact CG2-CB 3.7Å; R832-L940 PolarHBondContact O-N 2.84Å; V833-L940 CarbonylContact C-O 3.56Å; V833-L940 WeakPolarHBondContact CA-O 3.46Å; V833-L940 HydrophobicContact CG2-CB 4.44Å; N834-L940 PolarHBondContact N-O 2.73Å; I861-L940 HydrophobicContact CD1-CD2 4.04Å; C872-L940 HydrophobicContact CB-CD2 4.3Å; I876-L940 HydrophobicContact CD1-CD2 4.14Å; F910-L940 HydrophobicContact CD1-CD1 3.74Å; F910-L940 HydrophobicContact CD1-CD2 4.18Å; F910-L940 HydrophobicContact CD1-CG 4.03Å; F910-L940 HydrophobicContact CE1-CD1 4.16Å; F910-L940 HydrophobicContact CE1-CD2 3.73Å; F910-L940 HydrophobicContact CE1-CG 4.05Å; V932-L940 HydrophobicContact CG2-CD2 4.16Å; I935-L940 HydrophobicContact CD1-CD1 3.37Å; I935-L940 HydrophobicContact CG1-CD1 4.37Å
941	Y	90.4	Very high	72.8	Confident	3 Å²	3	60.4 Å²	60.4	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.4	-177.9	-67.1	-89.5	0	0	0	111.4	N834 I836 K852 L911 C913 F919 E939	N834-Y941 HydrophobicContact CB-CD1 3.84Å; N834-Y941 HydrophobicContact CB-CE1 3.74Å; N834-Y941 WeakPolarHBondContact O-CA 3.37Å; I836-Y941 HydrophobicContact CD1-CD1 3.93Å; I836-Y941 HydrophobicContact CG1-CD1 4.45Å; K852-Y941 HydrophobicContact CG-CE1 4.12Å; K852-Y941 HydrophobicContact CG-CE2 4.48Å; K852-Y941 WeakPolarHBondContact CG-OH 3.32Å; K852-Y941 PolarHBondContact NZ-OH 3.28Å; L911-Y941 PolarHBondContact N-O 2.82Å; C913-Y941 HydrophobicContact CB-CD2 4.11Å; C913-Y941 HydrophobicContact CB-CE2 4.49Å; F919-Y941 HydrophobicContact CE1-CD1 4.27Å; F919-Y941 AromaticContact CE1-CD2 3.66Å; F919-Y941 HydrophobicContact CE1-CD2 3.66Å; F919-Y941 HydrophobicContact CE1-CE2 4.31Å; F919-Y941 AromaticContact CE1-CG 3.64Å; F919-Y941 HydrophobicContact CE1-CG 3.64Å; F919-Y941 HydrophobicContact CZ-CD1 4.12Å; F919-Y941 HydrophobicContact CZ-CD2 4.02Å; F919-Y941 HydrophobicContact CZ-CE1 4.39Å; F919-Y941 HydrophobicContact CZ-CE2 4.29Å; F919-Y941 AromaticContact CZ-CG 3.94Å; F919-Y941 HydrophobicContact CZ-CG 3.94Å; E939-Y941 HydrophobicContact CB-CE2 3.71Å; E939-Y941 VanDerWaalsContact CD-OH 3.25Å; E939-Y941 WeakPolarHBondContact O-CD2 3.18Å; E939-Y941 WeakPolarHBondContact O-CE2 3.4Å; E939-Y941 PolarHBondContact OE1-OH 3.19Å; E939-Y941 PolarHBondContact OE2-OH 3.48Å
942	I	91.5	Very high	70.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144	175.4	65.1	176.8	0	0	0	110.5	V833 N834 R835 I836 L858 I876 L904 W908 C909 F910	V833-I942 HydrophobicContact CG1-CD1 4.23Å; V833-I942 HydrophobicContact CG1-CG1 4.49Å; V833-I942 HydrophobicContact CG1-CG2 4.35Å; N834-I942 PolarHBondContact O-N 3.43Å; R835-I942 CarbonylContact C-O 3.53Å; R835-I942 WeakPolarHBondContact CA-O 3.39Å; R835-I942 HydrophobicContact CB-CD1 4.15Å; R835-I942 HydrophobicContact CB-CG1 3.76Å; I836-I942 PolarHBondContact N-O 3.16Å; L858-I942 HydrophobicContact CD2-CD1 4.11Å; I876-I942 HydrophobicContact CD1-CG2 4.49Å; L904-I942 HydrophobicContact CD1-CD1 3.66Å; L904-I942 HydrophobicContact CD2-CD1 3.76Å; L904-I942 HydrophobicContact CG-CD1 4.39Å; W908-I942 HydrophobicContact CD2-CD1 4.46Å; W908-I942 HydrophobicContact CE3-CB 3.84Å; W908-I942 HydrophobicContact CE3-CD1 4.3Å; W908-I942 HydrophobicContact CE3-CG2 3.74Å; W908-I942 HydrophobicContact CH2-CG2 4.26Å; W908-I942 HydrophobicContact CZ3-CB 4.1Å; W908-I942 HydrophobicContact CZ3-CG2 3.44Å; W908-I942 VanDerWaalsContact CZ3-CG2 3.44Å; C909-I942 CarbonylContact O-C 3.59Å; C909-I942 WeakPolarHBondContact O-CA 3.34Å; F910-I942 HydrophobicContact CD1-CG2 3.65Å; F910-I942 HydrophobicContact CE1-CG2 3.89Å; F910-I942 HydrophobicContact CG-CG2 4.5Å
943	L	88.4	Confident	68.1	Low	1 Å²	1	69.3 Å²	69.3	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123	174.8	-175.3	70.9	0	0	0	109.7	I836 M838 Y841 W908 C909 L911 R921	I836-L943 HydrophobicContact CB-CD1 4.38Å; I836-L943 HydrophobicContact CG2-CD1 4.1Å; M838-L943 HydrophobicContact SD-CD2 4.29Å; Y841-L943 HydrophobicContact CD2-CD1 3.88Å; Y841-L943 HydrophobicContact CD2-CD2 4.37Å; Y841-L943 HydrophobicContact CG-CD1 3.86Å; Y841-L943 HydrophobicContact CG-CD2 4.34Å; W908-L943 WeakPolarHBondContact CA-O 3.29Å; C909-L943 PolarHBondContact N-O 3.03Å; C909-L943 VanDerWaalsContact N-O 3.15Å; C909-L943 PolarHBondContact O-N 2.9Å; L911-L943 HydrophobicContact CD1-CB 4.09Å; L911-L943 HydrophobicContact CD2-CB 4.04Å; L911-L943 HydrophobicContact CG-CB 4.05Å; R921-L943 HydrophobicContact CG-CD2 4.22Å
944	D	86.9	Confident	65.7	Low	4 Å²	4	70.8 Å²	70.8	2%	0.021	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.1	175.8	-170.2	-21.4	0	0	0	110.3	I836 M838 L904 S905 E946 L947	I836-D944 PolarHBondContact O-N 2.81Å; M838-D944 PolarHBondContact N-O 3.03Å; L904-D944 HydrophobicContact CD2-CB 4.33Å; L904-D944 WeakPolarHBondContact CD2-OD2 3.29Å; S905-D944 WeakPolarHBondContact CB-OD1 3.41Å; S905-D944 PolarHBondContact N-OD2 2.91Å; D944-E946 VanDerWaalsContact C-N 3.3Å; D944-E946 PolarHBondContact O-N 2.54Å; D944-E946 PolarHBondContact OD1-N 3.47Å; D944-L947 HydrophobicContact CB-CB 3.89Å
945	P	76.1	Confident	63.5	Low	63 Å²	63	74.1 Å²	74.1	41%	0.409	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.2	176.1	-24.6	35.6	0	0	0	115	N907	N907-P945 HydrophobicContact CB-CG 4.43Å
946	E	67.6	Low	61.1	Low	121 Å²	121	79.6 Å²	79.6	57%	0.565	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	4.9	-169.3	-65.2	166.4	-130.9	0	0	112.7	S905 D944 V948	S905-E946 VanDerWaalsContact CB-OE1 3.26Å; S905-E946 WeakPolarHBondContact CB-OE1 3.44Å; S905-E946 PolarHBondContact OG-OE1 2.83Å; D944-E946 VanDerWaalsContact C-N 3.3Å; D944-E946 PolarHBondContact O-N 2.54Å; D944-E946 PolarHBondContact OD1-N 3.47Å; E946-V948 VanDerWaalsContact C-N 3.31Å; E946-V948 PolarHBondContact O-N 3.26Å
947	L	68.3	Low	59.3	Low	25 Å²	25	84.7 Å²	84.7	13%	0.131	49%	0.492	C	S	.	.			trans	-70.8	83.2	179.6	-177.1	55.6	0	0	0	111.9	R835 S837 D944 A949	R835-L947 HydrophobicContact CG-CD2 4.11Å; R835-L947 VanDerWaalsContact NH1-CD1 3.32Å; S837-L947 WeakPolarHBondContact CB-O 3.46Å; D944-L947 HydrophobicContact CB-CB 3.89Å; L947-A949 PolarHBondContact O-N 3.47Å
948	V	56.1	Low	57.5	Low	115 Å²	115	82.6 Å²	82.6	70%	0.697	50%	0.495	S	S	*	.			trans	-59.1	115.7	172.6	-179.2	0	0	0	0	109.6	E946 K950	E946-V948 VanDerWaalsContact C-N 3.31Å; E946-V948 PolarHBondContact O-N 3.26Å; V948-K950 PolarHBondContact O-N 3.34Å
949	A	47.1	Very low	55.2	Low	68 Å²	68	85.9 Å²	85.9	56%	0.562	51%	0.509	S	S	*	.			trans	-64.4	116.1	174.8	0	0	0	0	0	110.3	L947 E951	L947-A949 PolarHBondContact O-N 3.47Å; A949-E951 PolarHBondContact O-N 3.08Å
950	K	43.3	Very low	52.7	Low	155 Å²	155	88.1 Å²	88.1	67%	0.674	53%	0.528	S	S	*	.			trans	-78.5	96.5	163.8	-73.8	-178.9	178	175.3	0	108.2	V948 T952	V948-K950 PolarHBondContact O-N 3.34Å; K950-T952 PolarHBondContact O-N 3.15Å; K950-T952 VanDerWaalsContact O-N 3.07Å
951	E	35	Very low	49.7	Very low	185 Å²	185	94.4 Å²	94.4	86%	0.864	56%	0.562	S	S	*	*			trans	-61.2	110.1	168.1	-68.7	-172.6	145.3	0	0	109.5	A949 V953	A949-E951 PolarHBondContact O-N 3.08Å; E951-V953 PolarHBondContact O-N 2.74Å
952	T	31.9	Very low	46.7	Very low	133 Å²	133	101 Å²	101	82%	0.816	59%	0.593	S	S	*	*			trans	-86	108.3	175.8	36.9	0	0	0	0	109.8	K950 G954	K950-T952 PolarHBondContact O-N 3.15Å; K950-T952 VanDerWaalsContact O-N 3.07Å; T952-G954 PolarHBondContact O-N 2.86Å
953	V	34.4	Very low	43.7	Very low	143 Å²	143	109.6 Å²	109.6	87%	0.867	63%	0.63	S	S	*	*			trans	-71.9	96.5	177.5	-178.8	0	0	0	0	110	E951	E951-V953 PolarHBondContact O-N 2.74Å
954	G	28.7	Very low	40.6	Very low	71 Å²	71	114.9 Å²	114.9	73%	0.732	67%	0.668	S	S	*	*			trans	-106.2	117.7	173.2	0	0	0	0	0	111.4	T952	T952-G954 PolarHBondContact O-N 2.86Å
955	T	29.5	Very low	37.5	Very low	131 Å²	131	123.8 Å²	123.8	80%	0.804	71%	0.706	S	S	*	*			trans	-85.7	127.6	-176.8	50.3	0	0	0	0	113
956	S	27	Very low	35.5	Very low	118 Å²	118	126.5 Å²	126.5	83%	0.825	72%	0.724	S	S	*	*			trans	-75.6	147.4	173.4	-44.6	0	0	0	0	113.9
957	P	32	Very low	33.3	Very low	113 Å²	113	125.4 Å²	125.4	73%	0.734	73%	0.729	S	S	*	*			trans	-108.6	128.6	163.3	34.9	-27.1	0	0	0	113.8
958	S	22.6	Very low	31.4	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	76%	0.757	S	S	*	*			trans	49.8	117.4	147.7	61.4	0	0	0	0	122.4
959	M	25.7	Very low	30.4	Very low	183 Å²	183	129.8 Å²	129.8	90%	0.901	76%	0.764	S	S	*	*			trans	-141	146.5	133.7	-91.8	-62.4	-74	0	0	108.9
960	P	34	Very low	29.3	Very low	106 Å²	106	132 Å²	132	69%	0.688	78%	0.775	S	S	*	*			trans	-105.5	139.9	-164.6	38.1	-34.2	0	0	0	117.4
961	D	27.5	Very low	28.2	Very low	132 Å²	132	129.8 Å²	129.8	71%	0.706	78%	0.779	S	S	*	*			trans	68.1	135.4	136.4	-98.7	35.5	0	0	0	126.7
962	Q	27.9	Very low	28.2	Very low	142 Å²	142	125.7 Å²	125.7	66%	0.664	77%	0.769	S	S	*	*			trans	74.5	135.4	151.3	-62.8	165.4	40.5	0	0	118
963	F	27	Very low	27.8	Very low	180 Å²	180	126 Å²	126	79%	0.789	77%	0.77	S	S	*	*			cis	-135.1	149.2	28	-90.8	-93.5	0	0	0	117.1
964	S	23.3	Very low	27.3	Very low	113 Å²	113	124.2 Å²	124.2	79%	0.79	76%	0.764	S	S	*	*			trans	62.9	113.6	148.8	56.2	0	0	0	0	123
965	F	22.1	Very low	27.4	Very low	190 Å²	190	126.7 Å²	126.7	83%	0.833	77%	0.768	S	S	*	*			trans	-84.7	172.6	159.5	-93.2	-75.2	0	0	0	111.6
966	P	33.8	Very low	27.3	Very low	121 Å²	121	131.9 Å²	131.9	79%	0.786	77%	0.772	S	S	*	*				-148.5	176.2	51.7	39.5	-17.4	0	0	0	117.5
967	C	22.9	Very low	27.6	Very low	97 Å²	97	132.2 Å²	132.2	66%	0.655	77%	0.772	S	S	*	*			cis	-161.5	140.3	-22.7	-105.1	0	0	0	0	110.5
968	S	27.4	Very low	27.2	Very low	104 Å²	104	131 Å²	131	73%	0.727	77%	0.772	S	S	*	*			trans	48.9	152.9	133.9	-50.7	0	0	0	0	122.3
969	P	35.3	Very low	27.2	Very low	129 Å²	129	131.8 Å²	131.8	84%	0.838	77%	0.771	S	S	*	*			cis	-103	-152.4	7.3	44.6	-38.1	0	0	0	111.7
970	S	24.4	Very low	27.1	Very low	113 Å²	113	133.8 Å²	133.8	79%	0.79	77%	0.769	S	S	*	*			cis	-154.1	171.5	5	53.7	0	0	0	0	113.1
971	S	20.8	Very low	26.6	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	77%	0.774	S	S	*	*			trans	-163.6	-166	172	62.9	0	0	0	0	108.1
972	P	35.1	Very low	26.3	Very low	100 Å²	100	134.6 Å²	134.6	65%	0.649	77%	0.773	S	S	*	*			cis	-143.5	176.9	-4.7	37	-15.1	0	0	0	118
973	T	22	Very low	26.2	Very low	138 Å²	138	133.6 Å²	133.6	85%	0.847	78%	0.777	S	S	*	*			trans	70.8	156.2	144	40.7	0	0	0	0	124.5
974	S	24.7	Very low	26.2	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	78%	0.777	S	S	*	*			trans	-97.6	-174.8	178.3	67.4	0	0	0	0	111.9
975	P	30.5	Very low	26.2	Very low	123 Å²	123	133.8 Å²	133.8	80%	0.799	78%	0.776	S	S	*	*				-145.2	-176.4	60.9	38.2	-16.2	0	0	0	116.7
976	R	27.9	Very low	26.5	Very low	239 Å²	239	130.3 Å²	130.3	90%	0.902	77%	0.77	S	S	*	*			trans	-92.9	162.1	166.5	-63.8	178.2	169.5	174.7	-3.8	110.6
977	P	33.6	Very low	26.1	Very low	125 Å²	125	128.3 Å²	128.3	81%	0.812	77%	0.765	S	S	*	*				-151.8	160.7	94.5	39.7	-22.3	0	0	0	118.2
978	A	21.8	Very low	26.3	Very low	89 Å²	89	130.2 Å²	130.2	74%	0.736	77%	0.773	S	S	*	*			trans	59.4	108.9	141.1	0	0	0	0	0	125.3
979	V	24.3	Very low	26.4	Very low	128 Å²	128	134.1 Å²	134.1	78%	0.776	77%	0.772	S	S	*	*				75.7	129.2	117.5	176.9	0	0	0	0	122.6
980	R	22.1	Very low	25.9	Very low	224 Å²	224	135.8 Å²	135.8	85%	0.845	76%	0.762	S	S	*	*			trans	95.2	114.2	149.8	-95.4	173.3	-178	178.1	0.4	123.2
981	L	23.6	Very low	26.1	Very low	151 Å²	151	141.2 Å²	141.2	79%	0.791	77%	0.765	S	S	*	*				76.1	129.2	125.6	-119.6	78.4	0	0	0	123.5
982	C	22.9	Very low	26.3	Very low	104 Å²	104	140.3 Å²	140.3	70%	0.703	76%	0.758	S	S	*	*			trans	65.2	116.6	145.4	-73.8	0	0	0	0	124.5
983	V	25.8	Very low	25.9	Very low	122 Å²	122	139.7 Å²	139.7	74%	0.739	76%	0.755	S	S	*	*				65.1	119.7	120.9	-174.9	0	0	0	0	121.1
984	L	25.1	Very low	26.2	Very low	151 Å²	151	143.1 Å²	143.1	79%	0.791	76%	0.759	S	S	*	*			trans	60.3	104.9	160.6	-91.9	80.8	0	0	0	122.4
985	D	24.8	Very low	26.7	Very low	145 Å²	145	141.2 Å²	141.2	78%	0.775	76%	0.756	S	S	*	*				77.4	156.1	108.1	-150.8	15.3	0	0	0	123.8
986	V	26.9	Very low	26.9	Very low	117 Å²	117	140.9 Å²	140.9	71%	0.709	74%	0.742	S	S	*	*			trans	83.6	91.6	162.1	-164.5	0	0	0	0	121.4
987	A	25.8	Very low	27.1	Very low	80 Å²	80	138 Å²	138	66%	0.661	74%	0.739	S	S	*	*				66	130.9	128.2	0	0	0	0	0	125.9
988	T	26.4	Very low	27.3	Very low	137 Å²	137	135.7 Å²	135.7	84%	0.84	73%	0.731	S	S	*	*			trans	69.7	153.3	143.5	56.5	0	0	0	0	122.3
989	R	29.8	Very low	28	Very low	186 Å²	186	140.9 Å²	140.9	70%	0.702	74%	0.737	S	S	*	*			cis	-168.8	114.1	-26.5	179.6	178.8	-176	165.1	3.6	113.5
990	W	26.4	Very low	28.6	Very low	164 Å²	164	139.7 Å²	139.7	62%	0.621	73%	0.725	S	S	*	*			trans	64.5	166	156.1	-61	17	0	0	0	116.2	F996	W990-F996 HydrophobicContact CH2-CE1 4.29Å; W990-F996 HydrophobicContact CH2-CZ 4.42Å; W990-F996 AromaticContact CZ2-CE1 3.91Å; W990-F996 HydrophobicContact CZ2-CE1 3.91Å; W990-F996 AromaticContact CZ2-CZ 3.86Å; W990-F996 HydrophobicContact CZ2-CZ 3.86Å
991	R	28	Very low	29.6	Very low	226 Å²	226	132.1 Å²	132.1	85%	0.853	71%	0.706	S	S	*	*			cis	-135.6	158.7	13	-69.3	179.1	-176.5	-141.4	0.8	108.9
992	C	24.3	Very low	30.5	Very low	91 Å²	91	131.4 Å²	131.4	62%	0.615	70%	0.696	S	S	*	*			cis	-161	-165.5	-13.7	-98.6	0	0	0	0	104.8
993	S	27.2	Very low	31.6	Very low	86 Å²	86	131.5 Å²	131.5	60%	0.601	70%	0.697	S	S	*	*			cis	-156.2	-167.9	13	-159.1	0	0	0	0	109.9	G995	S993-G995 PolarHBondContact O-N 3.35Å
994	F	29.1	Very low	32.8	Very low	211 Å²	211	132.7 Å²	132.7	93%	0.925	69%	0.693	S	S	*	*	S	Bend	trans	40.7	57.6	165.2	-76.1	-72.7	0	0	0	116.4
995	G	33.8	Very low	34.2	Very low	66 Å²	66	126.4 Å²	126.4	68%	0.68	66%	0.66	S	S	*	*			trans	-157.9	23.9	171.2	0	0	0	0	0	112.7	S993	S993-G995 PolarHBondContact O-N 3.35Å
996	F	34.9	Very low	36	Very low	116 Å²	116	122.1 Å²	122.1	51%	0.509	64%	0.637	S	S	.	*			trans	-108.1	94.8	-166.5	-99.1	-112.8	0	0	0	111.5	W990 I1000	W990-F996 HydrophobicContact CH2-CE1 4.29Å; W990-F996 HydrophobicContact CH2-CZ 4.42Å; W990-F996 AromaticContact CZ2-CE1 3.91Å; W990-F996 HydrophobicContact CZ2-CE1 3.91Å; W990-F996 AromaticContact CZ2-CZ 3.86Å; W990-F996 HydrophobicContact CZ2-CZ 3.86Å; F996-I1000 HydrophobicContact CD1-CD1 3.68Å; F996-I1000 HydrophobicContact CE1-CD1 3.34Å; F996-I1000 HydrophobicContact CZ-CD1 3.92Å
997	Q	32	Very low	37.7	Very low	180 Å²	180	119.6 Å²	119.6	84%	0.841	63%	0.628	S	S	*	*	S	Bend	trans	-160.8	-47.2	154.8	-154.2	79.1	35.7	0	0	111.9
998	A	39	Very low	40	Very low	76 Å²	76	118.2 Å²	118.2	63%	0.628	61%	0.608	S	S	*	*	S	Bend	trans	-83	-49.5	-168.3	0	0	0	0	0	114.8	I1000 C1001	A998-I1000 VanDerWaalsContact C-N 3.29Å; A998-I1000 PolarHBondContact O-N 3.47Å; A998-C1001 VanDerWaalsContact O-CB 3.3Å; A998-C1001 WeakPolarHBondContact O-CB 3.48Å; A998-C1001 PolarHBondContact O-N 2.95Å; A998-C1001 VanDerWaalsContact O-N 3.16Å
999	F	35.8	Very low	42.4	Very low	198 Å²	198	111.7 Å²	111.7	87%	0.868	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-9.5	-166.5	-125.7	-87.9	0	0	0	115.5
1000	I	37.4	Very low	44.7	Very low	102 Å²	102	104.2 Å²	104.2	52%	0.523	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-13.1	174.2	-68.1	176.7	0	0	0	111.2	F996 A998	F996-I1000 HydrophobicContact CD1-CD1 3.68Å; F996-I1000 HydrophobicContact CE1-CD1 3.34Å; F996-I1000 HydrophobicContact CZ-CD1 3.92Å; A998-I1000 VanDerWaalsContact C-N 3.29Å; A998-I1000 PolarHBondContact O-N 3.47Å
1001	C	43.4	Very low	47.2	Very low	66 Å²	66	99.1 Å²	99.1	45%	0.446	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-46.7	-173.6	-161.6	0	0	0	0	112.7	A998 F1004 L1005	A998-C1001 VanDerWaalsContact O-CB 3.3Å; A998-C1001 WeakPolarHBondContact O-CB 3.48Å; A998-C1001 PolarHBondContact O-N 2.95Å; A998-C1001 VanDerWaalsContact O-N 3.16Å; C1001-F1004 PolarHBondContact O-N 3.34Å; C1001-L1005 WeakPolarHBondContact O-CG 3.45Å; C1001-L1005 PolarHBondContact O-N 2.84Å
1002	F	40.9	Very low	49.8	Very low	135 Å²	135	88.8 Å²	88.8	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-65.7	-55.7	-170.1	-84	-86	0	0	0	113.9	F1004 L1005 D1006	F1002-F1004 PolarHBondContact O-N 3.04Å; F1002-L1005 WeakPolarHBondContact O-CB 3.42Å; F1002-L1005 PolarHBondContact O-N 2.84Å; F1002-D1006 PolarHBondContact O-N 2.99Å
1003	C	46.2	Very low	52.6	Low	107 Å²	107	84.4 Å²	84.4	72%	0.723	46%	0.464	S	S	*	.	H	α-helix	trans	-64.6	-10.7	-178.7	-54.3	0	0	0	0	114.4
1004	F	50.8	Low	55.2	Low	147 Å²	147	86 Å²	86	65%	0.645	46%	0.46	S	S	*	.	H	α-helix	trans	-86.8	-35.4	171.9	-146.2	-90	0	0	0	111.8	C1001 F1002 E1008	C1001-F1004 PolarHBondContact O-N 3.34Å; F1002-F1004 PolarHBondContact O-N 3.04Å; F1004-E1008 WeakPolarHBondContact O-CB 3.26Å; F1004-E1008 PolarHBondContact O-N 3.36Å
1005	L	56	Low	57.7	Low	18 Å²	18	81.3 Å²	81.3	9%	0.094	45%	0.445	C	S	.	.	H	α-helix	trans	-62.6	-41.4	178.5	-71.2	166.8	0	0	0	112.3	C1001 F1002 A1007 E1008 L1009 L1024 A1029	C1001-L1005 WeakPolarHBondContact O-CG 3.45Å; C1001-L1005 PolarHBondContact O-N 2.84Å; F1002-L1005 WeakPolarHBondContact O-CB 3.42Å; F1002-L1005 PolarHBondContact O-N 2.84Å; L1005-A1007 PolarHBondContact O-N 3.45Å; L1005-E1008 PolarHBondContact O-N 3.24Å; L1005-L1009 WeakPolarHBondContact O-CB 3.34Å; L1005-L1009 WeakPolarHBondContact O-CG 3.48Å; L1005-L1009 PolarHBondContact O-N 2.73Å; L1005-L1024 HydrophobicContact CD2-CD2 3.72Å; L1005-A1029 HydrophobicContact CB-CB 4.31Å; L1005-A1029 HydrophobicContact CD1-CB 4.44Å
1006	D	60.8	Low	60	Low	56 Å²	56	83.6 Å²	83.6	30%	0.299	44%	0.438	S	S	.	.	H	α-helix	trans	-63.2	-44.2	-177.5	-51.7	-27.7	0	0	0	111.6	F1002 L1009 I1010 L1033	F1002-D1006 PolarHBondContact O-N 2.99Å; D1006-L1009 PolarHBondContact O-N 2.84Å; D1006-I1010 PolarHBondContact O-N 2.96Å; D1006-L1033 HydrophobicContact CB-CD1 3.85Å; D1006-L1033 WeakPolarHBondContact OD1-CD1 3.13Å
1007	A	64.4	Low	62.3	Low	64 Å²	64	81.6 Å²	81.6	53%	0.529	43%	0.432	S	S	.	.	H	α-helix	trans	-70	-36.4	174.8	0	0	0	0	0	112.1	L1005 S1011	L1005-A1007 PolarHBondContact O-N 3.45Å; A1007-S1011 VanDerWaalsContact O-CB 3.26Å; A1007-S1011 WeakPolarHBondContact O-CB 3.24Å; A1007-S1011 PolarHBondContact O-N 3Å
1008	E	72.7	Confident	64.8	Low	51 Å²	51	75.6 Å²	75.6	24%	0.238	41%	0.406	C	S	.	.	H	α-helix	trans	-66.9	-37.1	175.4	-161.1	179.9	146	0	0	111.7	F1004 L1005 S1011 C1012 R1020 L1024	F1004-E1008 WeakPolarHBondContact O-CB 3.26Å; F1004-E1008 PolarHBondContact O-N 3.36Å; L1005-E1008 PolarHBondContact O-N 3.24Å; E1008-S1011 CarbonylContact O-C 3.6Å; E1008-S1011 WeakPolarHBondContact O-CB 3.01Å; E1008-S1011 PolarHBondContact O-N 2.83Å; E1008-C1012 WeakPolarHBondContact O-CB 3.49Å; E1008-C1012 PolarHBondContact O-N 2.98Å; E1008-C1012 PolarHBondContact O-SG 3.29Å; E1008-R1020 IonicContact OE1-CZ 3.29Å; E1008-R1020 IonicContact OE1-NE 2.81Å; E1008-R1020 PolarHBondContact OE1-NE 3.42Å; E1008-R1020 IonicContact OE1-NH2 3.16Å; E1008-R1020 PolarHBondContact OE1-NH2 3.43Å; E1008-R1020 IonicContact OE2-NH2 3.02Å; E1008-L1024 HydrophobicContact CB-CD1 4.17Å; E1008-L1024 HydrophobicContact CG-CD1 3.92Å
1009	L	76.8	Confident	66.9	Low	0 Å²	0	76 Å²	76	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-61.6	-52	174.3	-80.7	173.9	0	0	0	112	L1005 D1006 S1011 C1012 I1013 L1021 L1024 A1029 L1031 L1033	L1005-L1009 WeakPolarHBondContact O-CB 3.34Å; L1005-L1009 WeakPolarHBondContact O-CG 3.48Å; L1005-L1009 PolarHBondContact O-N 2.73Å; D1006-L1009 PolarHBondContact O-N 2.84Å; L1009-S1011 PolarHBondContact O-N 2.78Å; L1009-C1012 WeakPolarHBondContact O-CB 3.35Å; L1009-C1012 PolarHBondContact O-N 3.06Å; L1009-C1012 VanDerWaalsContact O-N 3.09Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.5Å; L1009-I1013 PolarHBondContact O-N 2.92Å; L1009-I1013 VanDerWaalsContact O-N 3.08Å; L1009-L1021 HydrophobicContact CD2-CG 4.22Å; L1009-L1024 HydrophobicContact CD2-CB 3.86Å; L1009-L1024 HydrophobicContact CD2-CD1 4.04Å; L1009-L1024 HydrophobicContact CG-CD1 4.31Å; L1009-A1029 HydrophobicContact CD1-CB 3.79Å; L1009-A1029 HydrophobicContact CG-CB 4.38Å; L1009-L1031 HydrophobicContact CD2-CD2 4.46Å; L1009-L1033 HydrophobicContact CD1-CD1 3.73Å
1010	I	78.3	Confident	69	Low	29 Å²	29	70.1 Å²	70.1	15%	0.149	38%	0.376	C	S	.	.	H	α-helix	trans	-61.8	-37.3	177.5	-65.1	172.3	0	0	0	110.4	D1006 I1013 K1014 D1035 L1041	D1006-I1010 PolarHBondContact O-N 2.96Å; I1010-I1013 PolarHBondContact O-N 2.65Å; I1010-K1014 HydrophobicContact CG2-CD 3.95Å; I1010-K1014 WeakPolarHBondContact O-CB 3.38Å; I1010-K1014 WeakPolarHBondContact O-CG 3.34Å; I1010-K1014 PolarHBondContact O-N 3.19Å; I1010-D1035 HydrophobicContact CD1-CB 4.18Å; I1010-L1041 HydrophobicContact CG1-CD2 3.63Å
1011	S	78.6	Confident	71.2	Confident	56 Å²	56	65.3 Å²	65.3	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-40.8	172.8	-171.5	0	0	0	0	112.6	A1007 E1008 L1009 I1013 K1014 N1015	A1007-S1011 VanDerWaalsContact O-CB 3.26Å; A1007-S1011 WeakPolarHBondContact O-CB 3.24Å; A1007-S1011 PolarHBondContact O-N 3Å; E1008-S1011 CarbonylContact O-C 3.6Å; E1008-S1011 WeakPolarHBondContact O-CB 3.01Å; E1008-S1011 PolarHBondContact O-N 2.83Å; L1009-S1011 PolarHBondContact O-N 2.78Å; S1011-I1013 VanDerWaalsContact C-N 3.32Å; S1011-I1013 PolarHBondContact O-N 3.25Å; S1011-K1014 PolarHBondContact O-N 2.94Å; S1011-N1015 WeakPolarHBondContact O-CB 3.41Å; S1011-N1015 PolarHBondContact O-N 3.44Å; S1011-N1015 PolarHBondContact O-ND2 3.07Å; S1011-N1015 PolarHBondContact OG-ND2 3.25Å
1012	C	82.9	Confident	73.2	Confident	9 Å²	9	63.7 Å²	63.7	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-38.6	176.6	-70.4	0	0	0	0	112	E1008 L1009 N1015 E1016 N1017 R1020 L1021	E1008-C1012 WeakPolarHBondContact O-CB 3.49Å; E1008-C1012 PolarHBondContact O-N 2.98Å; E1008-C1012 PolarHBondContact O-SG 3.29Å; L1009-C1012 WeakPolarHBondContact O-CB 3.35Å; L1009-C1012 PolarHBondContact O-N 3.06Å; L1009-C1012 VanDerWaalsContact O-N 3.09Å; C1012-N1015 CarbonylContact O-C 3.56Å; C1012-N1015 PolarHBondContact O-N 3.18Å; C1012-E1016 PolarHBondContact O-N 3.2Å; C1012-E1016 VanDerWaalsContact O-N 3.14Å; C1012-N1017 PolarHBondContact O-N 2.81Å; C1012-R1020 WeakPolarHBondContact SG-CG 3.16Å; C1012-L1021 HydrophobicContact CB-CB 4.17Å
1013	I	83.3	Confident	75.1	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.8	-46.8	174.8	-61.1	179	0	0	0	110.9	L1009 I1010 S1011 N1015 E1016 L1021 L1041 H1044 A1045 I1053 L1057	L1009-I1013 WeakPolarHBondContact O-CG1 3.5Å; L1009-I1013 PolarHBondContact O-N 2.92Å; L1009-I1013 VanDerWaalsContact O-N 3.08Å; I1010-I1013 PolarHBondContact O-N 2.65Å; S1011-I1013 VanDerWaalsContact C-N 3.32Å; S1011-I1013 PolarHBondContact O-N 3.25Å; I1013-N1015 PolarHBondContact O-N 3.48Å; I1013-E1016 PolarHBondContact O-N 3.47Å; I1013-E1016 VanDerWaalsContact O-N 3.08Å; I1013-L1021 HydrophobicContact CD1-CD1 3.95Å; I1013-L1021 HydrophobicContact CG1-CD1 3.4Å; I1013-L1041 HydrophobicContact CD1-CB 3.68Å; I1013-L1041 HydrophobicContact CD1-CD1 4.45Å; I1013-L1041 HydrophobicContact CD1-CD2 3.94Å; I1013-L1041 HydrophobicContact CD1-CG 4.22Å; I1013-H1044 HydrophobicContact CG2-CB 3.86Å; I1013-A1045 HydrophobicContact CG2-CB 3.89Å; I1013-I1053 HydrophobicContact CG1-CG2 4.08Å; I1013-I1053 HydrophobicContact CG2-CG2 4.39Å; I1013-L1057 HydrophobicContact CD1-CD1 4.24Å
1014	K	81.3	Confident	76.7	Confident	118 Å²	118	56.4 Å²	56.4	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-20.9	179.3	-72.6	176.1	-178.3	174.8	0	113.7	I1010 S1011 H1044	I1010-K1014 HydrophobicContact CG2-CD 3.95Å; I1010-K1014 WeakPolarHBondContact O-CB 3.38Å; I1010-K1014 WeakPolarHBondContact O-CG 3.34Å; I1010-K1014 PolarHBondContact O-N 3.19Å; S1011-K1014 PolarHBondContact O-N 2.94Å; K1014-H1044 WeakPolarHBondContact CE-ND1 3.34Å
1015	N	82.6	Confident	78.1	Confident	114 Å²	114	52.1 Å²	52.1	61%	0.61	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	15	174.7	-65.6	-75.2	0	0	0	113.5	S1011 C1012 I1013 N1017	S1011-N1015 WeakPolarHBondContact O-CB 3.41Å; S1011-N1015 PolarHBondContact O-N 3.44Å; S1011-N1015 PolarHBondContact O-ND2 3.07Å; S1011-N1015 PolarHBondContact OG-ND2 3.25Å; C1012-N1015 CarbonylContact O-C 3.56Å; C1012-N1015 PolarHBondContact O-N 3.18Å; I1013-N1015 PolarHBondContact O-N 3.48Å; N1015-N1017 PolarHBondContact O-N 2.82Å
1016	E	82.6	Confident	79.2	Confident	114 Å²	114	58.7 Å²	58.7	53%	0.533	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	21.4	179.7	-59.9	-160	-113.8	0	0	116.3	C1012 I1013 L1018 S1050	C1012-E1016 PolarHBondContact O-N 3.2Å; C1012-E1016 VanDerWaalsContact O-N 3.14Å; I1013-E1016 PolarHBondContact O-N 3.47Å; I1013-E1016 VanDerWaalsContact O-N 3.08Å; E1016-L1018 PolarHBondContact O-N 2.94Å; E1016-S1050 WeakPolarHBondContact OE2-CB 3.26Å; E1016-S1050 PolarHBondContact OE2-OG 2.93Å
1017	N	83.2	Confident	79.9	Confident	74 Å²	74	62 Å²	62	40%	0.396	32%	0.322	S	S	.	.			trans	-86.7	75.5	-174.4	-167.3	-17	0	0	0	112	C1012 N1015 S1019 R1020 L1021	C1012-N1017 PolarHBondContact O-N 2.81Å; N1015-N1017 PolarHBondContact O-N 2.82Å; N1017-S1019 VanDerWaalsContact C-N 3.3Å; N1017-S1019 PolarHBondContact O-N 2.71Å; N1017-R1020 HydrophobicContact CB-CB 4.28Å; N1017-R1020 PolarHBondContact O-N 3.43Å; N1017-R1020 WeakPolarHBondContact OD1-CB 3.18Å; N1017-R1020 PolarHBondContact OD1-N 3.17Å; N1017-L1021 PolarHBondContact O-N 3.43Å; N1017-L1021 VanDerWaalsContact O-N 3.08Å
1018	L	83.9	Confident	80.2	Confident	54 Å²	54	61.4 Å²	61.4	28%	0.283	32%	0.322	S	S	.	.	H	α-helix	trans	-53.5	-44.9	176.6	177	62.7	0	0	0	112.2	E1016 R1020 L1021 T1022 D1052 I1053 Y1056	E1016-L1018 PolarHBondContact O-N 2.94Å; L1018-R1020 PolarHBondContact O-N 3.27Å; L1018-L1021 WeakPolarHBondContact O-CB 3.15Å; L1018-L1021 PolarHBondContact O-N 2.99Å; L1018-T1022 HydrophobicContact CD1-CG2 3.98Å; L1018-T1022 HydrophobicContact CG-CG2 4.29Å; L1018-T1022 VanDerWaalsContact O-CG2 3.31Å; L1018-T1022 WeakPolarHBondContact O-CG2 3.46Å; L1018-T1022 PolarHBondContact O-N 2.79Å; L1018-D1052 HydrophobicContact CD2-CB 3.9Å; L1018-I1053 HydrophobicContact CB-CG1 4.03Å; L1018-I1053 HydrophobicContact CD1-CG1 4.13Å; L1018-Y1056 HydrophobicContact CD1-CD1 4.4Å; L1018-Y1056 HydrophobicContact CD1-CD2 4.41Å; L1018-Y1056 HydrophobicContact CD1-CG 3.95Å
1019	S	82.3	Confident	80.2	Confident	83 Å²	83	59.1 Å²	59.1	58%	0.58	31%	0.312	S	S	*	.	H	α-helix	trans	-55	-51.8	-178.9	-58.6	0	0	0	0	111.3	N1017 L1021 T1022 E1023	N1017-S1019 VanDerWaalsContact C-N 3.3Å; N1017-S1019 PolarHBondContact O-N 2.71Å; S1019-L1021 PolarHBondContact O-N 3.34Å; S1019-T1022 PolarHBondContact O-N 3.32Å; S1019-T1022 PolarHBondContact O-OG1 3.27Å; S1019-E1023 PolarHBondContact O-N 3.11Å; S1019-E1023 VanDerWaalsContact O-N 3.08Å
1020	R	81.6	Confident	80.2	Confident	76 Å²	76	65.6 Å²	65.6	29%	0.287	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-40.6	178.5	-174.3	60	177.4	167.8	2.7	112	E1008 C1012 N1017 L1018 T1022 E1023 L1024	E1008-R1020 IonicContact OE1-CZ 3.29Å; E1008-R1020 IonicContact OE1-NE 2.81Å; E1008-R1020 PolarHBondContact OE1-NE 3.42Å; E1008-R1020 IonicContact OE1-NH2 3.16Å; E1008-R1020 PolarHBondContact OE1-NH2 3.43Å; E1008-R1020 IonicContact OE2-NH2 3.02Å; C1012-R1020 WeakPolarHBondContact SG-CG 3.16Å; N1017-R1020 HydrophobicContact CB-CB 4.28Å; N1017-R1020 PolarHBondContact O-N 3.43Å; N1017-R1020 WeakPolarHBondContact OD1-CB 3.18Å; N1017-R1020 PolarHBondContact OD1-N 3.17Å; L1018-R1020 PolarHBondContact O-N 3.27Å; R1020-T1022 VanDerWaalsContact C-N 3.29Å; R1020-T1022 PolarHBondContact O-N 3.33Å; R1020-E1023 VanDerWaalsContact CD-OE2 3.28Å; R1020-E1023 WeakPolarHBondContact CD-OE2 3.04Å; R1020-E1023 IonicContact CZ-OE2 2.67Å; R1020-E1023 IonicContact NE-OE2 2.79Å; R1020-E1023 IonicContact NH1-OE2 3.58Å; R1020-E1023 PolarHBondContact NH1-OE2 2.91Å; R1020-E1023 WeakPolarHBondContact O-CB 3.14Å; R1020-E1023 PolarHBondContact O-N 3.45Å; R1020-E1023 VanDerWaalsContact O-N 3.1Å; R1020-L1024 HydrophobicContact CG-CD1 4.33Å; R1020-L1024 HydrophobicContact CG-CG 4.47Å; R1020-L1024 WeakPolarHBondContact O-CG 3.38Å; R1020-L1024 PolarHBondContact O-N 2.88Å
1021	L	83.4	Confident	80.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-39.8	174.6	-175.2	146.3	0	0	0	112.2	L1009 C1012 I1013 N1017 L1018 S1019 L1024 H1025 I1053 Y1056	L1009-L1021 HydrophobicContact CD2-CG 4.22Å; C1012-L1021 HydrophobicContact CB-CB 4.17Å; I1013-L1021 HydrophobicContact CD1-CD1 3.95Å; I1013-L1021 HydrophobicContact CG1-CD1 3.4Å; N1017-L1021 PolarHBondContact O-N 3.43Å; N1017-L1021 VanDerWaalsContact O-N 3.08Å; L1018-L1021 WeakPolarHBondContact O-CB 3.15Å; L1018-L1021 PolarHBondContact O-N 2.99Å; S1019-L1021 PolarHBondContact O-N 3.34Å; L1021-L1024 PolarHBondContact O-N 3.33Å; L1021-H1025 PolarHBondContact O-N 3.32Å; L1021-H1025 VanDerWaalsContact O-N 3.09Å; L1021-I1053 HydrophobicContact CD1-CG2 4.17Å; L1021-Y1056 HydrophobicContact CD2-CD1 3.42Å; L1021-Y1056 VanDerWaalsContact CD2-CD1 3.42Å; L1021-Y1056 HydrophobicContact CD2-CE1 3.48Å; L1021-Y1056 VanDerWaalsContact CD2-CE1 3.48Å
1022	T	83.7	Confident	80.2	Confident	32 Å²	32	64 Å²	64	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-28.3	175.2	71.8	0	0	0	0	113.7	L1018 S1019 R1020 Q1026 Y1056	L1018-T1022 HydrophobicContact CD1-CG2 3.98Å; L1018-T1022 HydrophobicContact CG-CG2 4.29Å; L1018-T1022 VanDerWaalsContact O-CG2 3.31Å; L1018-T1022 WeakPolarHBondContact O-CG2 3.46Å; L1018-T1022 PolarHBondContact O-N 2.79Å; S1019-T1022 PolarHBondContact O-N 3.32Å; S1019-T1022 PolarHBondContact O-OG1 3.27Å; R1020-T1022 VanDerWaalsContact C-N 3.29Å; R1020-T1022 PolarHBondContact O-N 3.33Å; T1022-Q1026 WeakPolarHBondContact O-CB 3.17Å; T1022-Q1026 VanDerWaalsContact O-CG 3.3Å; T1022-Q1026 WeakPolarHBondContact O-CG 3.16Å; T1022-Q1026 PolarHBondContact O-N 3.18Å; T1022-Q1026 VanDerWaalsContact O-N 3.17Å; T1022-Q1026 PolarHBondContact O-NE2 3.01Å; T1022-Y1056 HydrophobicContact CG2-CD1 4.45Å; T1022-Y1056 HydrophobicContact CG2-CD2 3.97Å; T1022-Y1056 HydrophobicContact CG2-CE1 4.05Å; T1022-Y1056 HydrophobicContact CG2-CE2 3.51Å; T1022-Y1056 HydrophobicContact CG2-CG 4.41Å
1023	E	80.9	Confident	79.9	Confident	88 Å²	88	65.3 Å²	65.3	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-68.2	-44.6	172.1	-70	177.7	176.4	0	0	111.6	S1019 R1020 Q1026 Q1027	S1019-E1023 PolarHBondContact O-N 3.11Å; S1019-E1023 VanDerWaalsContact O-N 3.08Å; R1020-E1023 VanDerWaalsContact CD-OE2 3.28Å; R1020-E1023 WeakPolarHBondContact CD-OE2 3.04Å; R1020-E1023 IonicContact CZ-OE2 2.67Å; R1020-E1023 IonicContact NE-OE2 2.79Å; R1020-E1023 IonicContact NH1-OE2 3.58Å; R1020-E1023 PolarHBondContact NH1-OE2 2.91Å; R1020-E1023 WeakPolarHBondContact O-CB 3.14Å; R1020-E1023 PolarHBondContact O-N 3.45Å; R1020-E1023 VanDerWaalsContact O-N 3.1Å; E1023-Q1026 PolarHBondContact O-N 2.91Å; E1023-Q1027 WeakPolarHBondContact O-CG 3.39Å; E1023-Q1027 PolarHBondContact O-N 3.08Å; E1023-Q1027 PolarHBondContact O-NE2 2.93Å; E1023-Q1027 VanDerWaalsContact O-NE2 3.12Å
1024	L	79.9	Confident	79.8	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-41.5	-179.1	-64.5	177.6	0	0	0	111.4	L1005 E1008 L1009 R1020 L1021 Q1026 Q1027 G1028 A1029	L1005-L1024 HydrophobicContact CD2-CD2 3.72Å; E1008-L1024 HydrophobicContact CB-CD1 4.17Å; E1008-L1024 HydrophobicContact CG-CD1 3.92Å; L1009-L1024 HydrophobicContact CD2-CB 3.86Å; L1009-L1024 HydrophobicContact CD2-CD1 4.04Å; L1009-L1024 HydrophobicContact CG-CD1 4.31Å; R1020-L1024 HydrophobicContact CG-CD1 4.33Å; R1020-L1024 HydrophobicContact CG-CG 4.47Å; R1020-L1024 WeakPolarHBondContact O-CG 3.38Å; R1020-L1024 PolarHBondContact O-N 2.88Å; L1021-L1024 PolarHBondContact O-N 3.33Å; L1024-Q1026 PolarHBondContact O-N 3.03Å; L1024-Q1027 CarbonylContact O-C 3.54Å; L1024-Q1027 WeakPolarHBondContact O-CA 3.34Å; L1024-Q1027 WeakPolarHBondContact O-CB 3.26Å; L1024-Q1027 PolarHBondContact O-N 3.23Å; L1024-Q1027 VanDerWaalsContact O-N 3.09Å; L1024-G1028 PolarHBondContact O-N 3.36Å; L1024-A1029 HydrophobicContact CB-CB 4.39Å; L1024-A1029 WeakPolarHBondContact O-CB 3.33Å; L1024-A1029 PolarHBondContact O-N 3.46Å; L1024-A1029 VanDerWaalsContact O-N 3.14Å
1025	H	80.9	Confident	79.8	Confident	57 Å²	57	66 Å²	66	26%	0.264	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-40.4	172.6	-178.2	-149.3	0	0	0	111.9	L1021 Q1027 G1028 L1031 Y1056	L1021-H1025 PolarHBondContact O-N 3.32Å; L1021-H1025 VanDerWaalsContact O-N 3.09Å; H1025-Q1027 PolarHBondContact O-N 3.37Å; H1025-G1028 PolarHBondContact O-N 3Å; H1025-L1031 HydrophobicContact CB-CD2 4.4Å; H1025-Y1056 AromaticContact ND1-CE1 3.88Å; H1025-Y1056 AromaticContact ND1-CZ 3.73Å; H1025-Y1056 PolarHBondContact ND1-OH 3.43Å
1026	Q	79.3	Confident	79.5	Confident	157 Å²	157	65.3 Å²	65.3	73%	0.734	36%	0.357	S	S	*	.	H	α-helix	trans	-66.3	-20.5	173.3	-78.7	171.5	79	0	0	113.9	T1022 E1023 L1024 G1028	T1022-Q1026 WeakPolarHBondContact O-CB 3.17Å; T1022-Q1026 VanDerWaalsContact O-CG 3.3Å; T1022-Q1026 WeakPolarHBondContact O-CG 3.16Å; T1022-Q1026 PolarHBondContact O-N 3.18Å; T1022-Q1026 VanDerWaalsContact O-N 3.17Å; T1022-Q1026 PolarHBondContact O-NE2 3.01Å; E1023-Q1026 PolarHBondContact O-N 2.91Å; L1024-Q1026 PolarHBondContact O-N 3.03Å; Q1026-G1028 VanDerWaalsContact C-N 3.29Å
1027	Q	75.1	Confident	79.4	Confident	126 Å²	126	62.6 Å²	62.6	59%	0.589	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	2	172.8	-71.8	162.9	54.2	0	0	113	E1023 L1024 H1025	E1023-Q1027 WeakPolarHBondContact O-CG 3.39Å; E1023-Q1027 PolarHBondContact O-N 3.08Å; E1023-Q1027 PolarHBondContact O-NE2 2.93Å; E1023-Q1027 VanDerWaalsContact O-NE2 3.12Å; L1024-Q1027 CarbonylContact O-C 3.54Å; L1024-Q1027 WeakPolarHBondContact O-CA 3.34Å; L1024-Q1027 WeakPolarHBondContact O-CB 3.26Å; L1024-Q1027 PolarHBondContact O-N 3.23Å; L1024-Q1027 VanDerWaalsContact O-N 3.09Å; H1025-Q1027 PolarHBondContact O-N 3.37Å
1028	G	70.5	Confident	79.3	Confident	50 Å²	50	59.2 Å²	59.2	52%	0.515	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	14.6	175.3	0	0	0	0	0	115.2	L1024 H1025 Q1026	L1024-G1028 PolarHBondContact O-N 3.36Å; H1025-G1028 PolarHBondContact O-N 3Å; Q1026-G1028 VanDerWaalsContact C-N 3.29Å
1029	A	74.1	Confident	79.3	Confident	3 Å²	3	59 Å²	59	3%	0.025	32%	0.324	C	S	.	.			trans	-74.1	134	173.8	0	0	0	0	0	111.2	L1005 L1009 L1024	L1005-A1029 HydrophobicContact CB-CB 4.31Å; L1005-A1029 HydrophobicContact CD1-CB 4.44Å; L1009-A1029 HydrophobicContact CD1-CB 3.79Å; L1009-A1029 HydrophobicContact CG-CB 4.38Å; L1024-A1029 HydrophobicContact CB-CB 4.39Å; L1024-A1029 WeakPolarHBondContact O-CB 3.33Å; L1024-A1029 PolarHBondContact O-N 3.46Å; L1024-A1029 VanDerWaalsContact O-N 3.14Å
1030	E	76.4	Confident	79.6	Confident	136 Å²	136	55.4 Å²	55.4	64%	0.636	30%	0.299	S	S	*	.			trans	-79.4	135.6	-172.7	-63.3	-168	168.3	0	0	112.8	L1033	E1030-L1033 WeakPolarHBondContact O-CD1 3.28Å; E1030-L1033 WeakPolarHBondContact O-CG 3.39Å
1031	L	78.8	Confident	79.8	Confident	15 Å²	15	51.9 Å²	51.9	8%	0.079	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.8	177.8	-61.6	179.8	0	0	0	113.9	L1009 H1025 L1033 L1041 Y1056 L1057 N1060 V1061	L1009-L1031 HydrophobicContact CD2-CD2 4.46Å; H1025-L1031 HydrophobicContact CB-CD2 4.4Å; L1031-L1033 VanDerWaalsContact C-N 3.34Å; L1031-L1041 HydrophobicContact CB-CD1 4.35Å; L1031-L1041 HydrophobicContact CD2-CD1 3.94Å; L1031-Y1056 HydrophobicContact CD1-CE1 4.17Å; L1031-L1057 HydrophobicContact CB-CD2 4.42Å; L1031-L1057 HydrophobicContact CD1-CD2 4.26Å; L1031-L1057 HydrophobicContact CD2-CD2 4.06Å; L1031-L1057 HydrophobicContact CG-CD2 4.49Å; L1031-N1060 HydrophobicContact CD1-CB 3.81Å; L1031-V1061 HydrophobicContact CB-CG2 3.64Å; L1031-V1061 HydrophobicContact CD1-CG2 4.39Å
1032	A	77.1	Confident	80.1	Confident	38 Å²	38	52.5 Å²	52.5	31%	0.314	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.2	-179.2	0	0	0	0	0	114
1033	L	77.6	Confident	80.4	Confident	35 Å²	35	51.1 Å²	51.1	18%	0.183	28%	0.28	C	S	.	.			trans	-57.1	144.1	-173.2	-65.2	167.5	0	0	0	113.6	D1006 L1009 E1030 L1031 S1040 L1041	D1006-L1033 HydrophobicContact CB-CD1 3.85Å; D1006-L1033 WeakPolarHBondContact OD1-CD1 3.13Å; L1009-L1033 HydrophobicContact CD1-CD1 3.73Å; E1030-L1033 WeakPolarHBondContact O-CD1 3.28Å; E1030-L1033 WeakPolarHBondContact O-CG 3.39Å; L1031-L1033 VanDerWaalsContact C-N 3.34Å; L1033-S1040 VanDerWaalsContact O-CA 3.3Å; L1033-S1040 WeakPolarHBondContact O-CA 3.35Å; L1033-L1041 HydrophobicContact CB-CD2 4.4Å; L1033-L1041 HydrophobicContact CB-CG 4.36Å; L1033-L1041 PolarHBondContact O-N 3.18Å
1034	Q	80.3	Confident	80.7	Confident	97 Å²	97	47.5 Å²	47.5	45%	0.453	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-121.3	148.2	166.8	-63	172.6	26.4	0	0	108.4	R1039	Q1034-R1039 WeakPolarHBondContact CA-O 3.33Å
1035	D	81.3	Confident	81.2	Confident	37 Å²	37	47.5 Å²	47.5	20%	0.198	26%	0.263	C	S	.	.			trans	-85.4	-173.8	169.6	65.2	18.9	0	0	0	112.5	I1010 D1037 G1038 R1039 H1044	I1010-D1035 HydrophobicContact CD1-CB 4.18Å; D1035-D1037 PolarHBondContact O-N 3.47Å; D1035-D1037 WeakPolarHBondContact OD1-CA 3.48Å; D1035-D1037 WeakPolarHBondContact OD1-CB 3.31Å; D1035-D1037 PolarHBondContact OD1-N 2.94Å; D1035-G1038 PolarHBondContact O-N 2.85Å; D1035-G1038 PolarHBondContact OD1-N 3.29Å; D1035-R1039 PolarHBondContact N-O 3.01Å; D1035-R1039 VanDerWaalsContact N-O 3.15Å; D1035-R1039 VanDerWaalsContact OD1-CB 3.31Å; D1035-R1039 WeakPolarHBondContact OD1-CB 3.46Å; D1035-R1039 PolarHBondContact OD1-N 3.5Å; D1035-H1044 IonicContact OD2-CD2 2.76Å; D1035-H1044 IonicContact OD2-CE1 2.73Å; D1035-H1044 PolarHBondContact OD2-CE1 3.01Å; D1035-H1044 IonicContact OD2-NE2 2.69Å; D1035-H1044 PolarHBondContact OD2-NE2 2.86Å
1036	A	77.6	Confident	81.7	Confident	98 Å²	98	44.8 Å²	44.8	81%	0.81	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.6	179.7	0	0	0	0	0	113.8	G1038	A1036-G1038 VanDerWaalsContact C-N 3.3Å
1037	D	79.4	Confident	82.1	Confident	57 Å²	57	42.6 Å²	42.6	31%	0.305	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.1	179	-41.9	-28	0	0	0	111.1	D1035 R1039 T1071	D1035-D1037 PolarHBondContact O-N 3.47Å; D1035-D1037 WeakPolarHBondContact OD1-CA 3.48Å; D1035-D1037 WeakPolarHBondContact OD1-CB 3.31Å; D1035-D1037 PolarHBondContact OD1-N 2.94Å; D1037-R1039 HydrophobicContact CB-CG 4.02Å; D1037-R1039 PolarHBondContact O-N 2.96Å; D1037-R1039 IonicContact OD2-CZ 2.73Å; D1037-R1039 IonicContact OD2-NH1 3.85Å; D1037-R1039 PolarHBondContact OD2-NH1 3.23Å; D1037-T1071 PolarHBondContact O-N 3.33Å; D1037-T1071 PolarHBondContact O-OG1 2.91Å
1038	G	80.3	Confident	82.6	Confident	4 Å²	4	38.8 Å²	38.8	4%	0.041	23%	0.226	C	C	.	.			trans	70.5	8.8	-173.8	0	0	0	0	0	114.2	D1035 A1036 S1040	D1035-G1038 PolarHBondContact O-N 2.85Å; D1035-G1038 PolarHBondContact OD1-N 3.29Å; A1036-G1038 VanDerWaalsContact C-N 3.3Å; G1038-S1040 PolarHBondContact O-N 3.5Å
1039	R	84.9	Confident	83.3	Confident	50 Å²	50	37.4 Å²	37.4	19%	0.189	21%	0.212	C	C	.	.			trans	-77.7	109.1	-176	-64	167.7	163.2	120.2	15.4	109.4	Q1034 D1035 D1037 H1043 H1044 E1070 E1072	Q1034-R1039 WeakPolarHBondContact CA-O 3.33Å; D1035-R1039 PolarHBondContact N-O 3.01Å; D1035-R1039 VanDerWaalsContact N-O 3.15Å; D1035-R1039 VanDerWaalsContact OD1-CB 3.31Å; D1035-R1039 WeakPolarHBondContact OD1-CB 3.46Å; D1035-R1039 PolarHBondContact OD1-N 3.5Å; D1037-R1039 HydrophobicContact CB-CG 4.02Å; D1037-R1039 PolarHBondContact O-N 2.96Å; D1037-R1039 IonicContact OD2-CZ 2.73Å; D1037-R1039 IonicContact OD2-NH1 3.85Å; D1037-R1039 PolarHBondContact OD2-NH1 3.23Å; R1039-H1043 HydrophobicContact CB-CB 4.08Å; R1039-H1044 WeakPolarHBondContact CB-NE2 3.49Å; R1039-E1070 HydrophobicContact CG-CB 3.88Å; R1039-E1070 WeakPolarHBondContact CG-OE2 3.48Å; R1039-E1070 IonicContact CZ-OE2 2.72Å; R1039-E1070 VanDerWaalsContact CZ-OE2 3.29Å; R1039-E1070 IonicContact NE-OE2 3.94Å; R1039-E1070 PolarHBondContact NE-OE2 3.15Å; R1039-E1070 VanDerWaalsContact NH2-CD 3.32Å; R1039-E1070 IonicContact NH2-OE1 3.76Å; R1039-E1070 PolarHBondContact NH2-OE1 2.73Å; R1039-E1070 IonicContact NH2-OE2 3.75Å; R1039-E1070 PolarHBondContact NH2-OE2 2.79Å; R1039-E1072 IonicContact CZ-OE2 3.6Å; R1039-E1072 IonicContact NH1-OE2 3.2Å; R1039-E1072 PolarHBondContact NH1-OE2 3.12Å; R1039-E1072 IonicContact NH2-OE2 3.76Å; R1039-E1072 PolarHBondContact NH2-OE2 2.92Å
1040	S	88.9	Confident	83.9	Confident	6 Å²	6	37.8 Å²	37.8	4%	0.042	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-64.1	160	171.4	71.8	0	0	0	0	111.7	L1033 G1038 L1042 H1043 H1044	L1033-S1040 VanDerWaalsContact O-CA 3.3Å; L1033-S1040 WeakPolarHBondContact O-CA 3.35Å; G1038-S1040 PolarHBondContact O-N 3.5Å; S1040-L1042 PolarHBondContact O-N 3.16Å; S1040-H1043 PolarHBondContact N-ND1 2.89Å; S1040-H1043 WeakPolarHBondContact O-CB 3.31Å; S1040-H1043 PolarHBondContact O-N 3.27Å; S1040-H1043 PolarHBondContact OG-ND1 3.34Å; S1040-H1044 PolarHBondContact O-N 3.47Å
1041	L	86.3	Confident	84.5	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-48.6	-32.4	175	-62.5	-172.1	0	0	0	113.5	I1010 I1013 L1031 L1033 H1044 A1045 L1057	I1010-L1041 HydrophobicContact CG1-CD2 3.63Å; I1013-L1041 HydrophobicContact CD1-CB 3.68Å; I1013-L1041 HydrophobicContact CD1-CD1 4.45Å; I1013-L1041 HydrophobicContact CD1-CD2 3.94Å; I1013-L1041 HydrophobicContact CD1-CG 4.22Å; L1031-L1041 HydrophobicContact CB-CD1 4.35Å; L1031-L1041 HydrophobicContact CD2-CD1 3.94Å; L1033-L1041 HydrophobicContact CB-CD2 4.4Å; L1033-L1041 HydrophobicContact CB-CG 4.36Å; L1033-L1041 PolarHBondContact O-N 3.18Å; L1041-H1044 PolarHBondContact O-N 3.34Å; L1041-A1045 PolarHBondContact O-N 3.43Å; L1041-L1057 HydrophobicContact CB-CD1 4.09Å; L1041-L1057 HydrophobicContact CB-CD2 4.27Å; L1041-L1057 HydrophobicContact CD1-CD2 4.35Å
1042	L	89.4	Confident	84.9	Confident	13 Å²	13	40.6 Å²	40.6	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-35.5	177.5	-168	64	0	0	0	112.8	S1040 A1045 V1046 V1054 L1057 I1058 L1066 A1077 L1093	S1040-L1042 PolarHBondContact O-N 3.16Å; L1042-A1045 PolarHBondContact O-N 2.95Å; L1042-V1046 VanDerWaalsContact O-CG2 3.29Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.42Å; L1042-V1046 PolarHBondContact O-N 3.33Å; L1042-V1054 HydrophobicContact CD1-CG1 4.3Å; L1042-L1057 HydrophobicContact CD1-CB 4.17Å; L1042-L1057 HydrophobicContact CD1-CD1 4.36Å; L1042-I1058 HydrophobicContact CD1-CG1 4.35Å; L1042-L1066 HydrophobicContact CD2-CD2 3.88Å; L1042-A1077 HydrophobicContact CB-CB 4.42Å; L1042-A1077 HydrophobicContact CD2-CB 3.85Å; L1042-A1077 HydrophobicContact CG-CB 3.82Å; L1042-L1093 HydrophobicContact CD1-CD2 4.31Å; L1042-L1093 HydrophobicContact CD2-CD2 3.82Å; L1042-L1093 HydrophobicContact CG-CD2 4.31Å
1043	H	89.8	Confident	85.4	Confident	3 Å²	3	38.8 Å²	38.8	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-42.5	174.2	-66.4	82.2	0	0	0	111	R1039 S1040 V1046 Q1047 L1068 E1075 T1076 A1077	R1039-H1043 HydrophobicContact CB-CB 4.08Å; S1040-H1043 PolarHBondContact N-ND1 2.89Å; S1040-H1043 WeakPolarHBondContact O-CB 3.31Å; S1040-H1043 PolarHBondContact O-N 3.27Å; S1040-H1043 PolarHBondContact OG-ND1 3.34Å; H1043-V1046 PolarHBondContact O-N 3.47Å; H1043-Q1047 VanDerWaalsContact O-CB 3.32Å; H1043-Q1047 WeakPolarHBondContact O-CB 3.31Å; H1043-Q1047 PolarHBondContact O-N 3.44Å; H1043-L1068 PolarHBondContact CE1-O 2.68Å; H1043-L1068 PolarHBondContact NE2-O 2.93Å; H1043-E1075 PolarHBondContact NE2-O 3.48Å; H1043-T1076 VanDerWaalsContact NE2-C 3.32Å; H1043-A1077 PolarHBondContact NE2-N 2.97Å
1044	H	87.3	Confident	85.9	Confident	13 Å²	13	37.1 Å²	37.1	6%	0.06	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-38.3	175.2	-68.5	-75.7	0	0	0	112.3	I1013 K1014 D1035 R1039 S1040 L1041 Q1047 T1048	I1013-H1044 HydrophobicContact CG2-CB 3.86Å; K1014-H1044 WeakPolarHBondContact CE-ND1 3.34Å; D1035-H1044 IonicContact OD2-CD2 2.76Å; D1035-H1044 IonicContact OD2-CE1 2.73Å; D1035-H1044 PolarHBondContact OD2-CE1 3.01Å; D1035-H1044 IonicContact OD2-NE2 2.69Å; D1035-H1044 PolarHBondContact OD2-NE2 2.86Å; R1039-H1044 WeakPolarHBondContact CB-NE2 3.49Å; S1040-H1044 PolarHBondContact O-N 3.47Å; L1041-H1044 PolarHBondContact O-N 3.34Å; H1044-Q1047 PolarHBondContact O-N 2.96Å; H1044-T1048 PolarHBondContact O-N 3.13Å; H1044-T1048 PolarHBondContact O-OG1 3.2Å
1045	A	89.3	Confident	86.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-71	-31.9	178.4	0	0	0	0	0	113.2	I1013 L1041 L1042 T1048 G1049 S1050 I1053 V1054 L1057	I1013-A1045 HydrophobicContact CG2-CB 3.89Å; L1041-A1045 PolarHBondContact O-N 3.43Å; L1042-A1045 PolarHBondContact O-N 2.95Å; A1045-T1048 PolarHBondContact O-OG1 3.18Å; A1045-G1049 PolarHBondContact O-N 3.49Å; A1045-S1050 PolarHBondContact O-N 3Å; A1045-I1053 HydrophobicContact CB-CB 4.45Å; A1045-I1053 HydrophobicContact CB-CG2 3.81Å; A1045-V1054 HydrophobicContact CB-CG2 3.71Å; A1045-V1054 WeakPolarHBondContact O-CG2 3.22Å; A1045-L1057 HydrophobicContact CB-CD1 3.76Å
1046	V	91.2	Very high	86.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70	-43.4	168.1	171.2	0	0	0	0	110.5	L1042 H1043 T1048 G1049 V1054 A1077 K1080 A1081 Q1086 I1089 L1093	L1042-V1046 VanDerWaalsContact O-CG2 3.29Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.42Å; L1042-V1046 PolarHBondContact O-N 3.33Å; H1043-V1046 PolarHBondContact O-N 3.47Å; V1046-T1048 VanDerWaalsContact C-N 3.28Å; V1046-T1048 PolarHBondContact O-N 3.21Å; V1046-G1049 WeakPolarHBondContact O-CA 3.33Å; V1046-G1049 PolarHBondContact O-N 3.41Å; V1046-V1054 HydrophobicContact CG2-CG2 4.29Å; V1046-A1077 HydrophobicContact CG2-CB 4.2Å; V1046-K1080 HydrophobicContact CG1-CB 3.84Å; V1046-A1081 HydrophobicContact CG1-CB 3.77Å; V1046-Q1086 PolarHBondContact O-NE2 2.96Å; V1046-Q1086 PolarHBondContact O-OE1 3.42Å; V1046-Q1086 VanDerWaalsContact O-OE1 3.12Å; V1046-I1089 HydrophobicContact CG2-CG2 3.81Å; V1046-L1093 HydrophobicContact CG2-CD1 4.24Å
1047	Q	88.4	Confident	87	Confident	112 Å²	112	32.7 Å²	32.7	52%	0.523	16%	0.164	S	C	.	.	H	α-helix	trans	-62.6	-32.8	-179.5	-169.3	62.5	38.9	0	0	112.8	H1043 H1044	H1043-Q1047 VanDerWaalsContact O-CB 3.32Å; H1043-Q1047 WeakPolarHBondContact O-CB 3.31Å; H1043-Q1047 PolarHBondContact O-N 3.44Å; H1044-Q1047 PolarHBondContact O-N 2.96Å
1048	T	85.6	Confident	87.4	Confident	46 Å²	46	31.7 Å²	31.7	28%	0.282	16%	0.158	S	C	.	.	H	α-helix	trans	-82.2	-16.8	170.5	57.1	0	0	0	0	113.8	H1044 A1045 V1046 S1050	H1044-T1048 PolarHBondContact O-N 3.13Å; H1044-T1048 PolarHBondContact O-OG1 3.2Å; A1045-T1048 PolarHBondContact O-OG1 3.18Å; V1046-T1048 VanDerWaalsContact C-N 3.28Å; V1046-T1048 PolarHBondContact O-N 3.21Å; T1048-S1050 PolarHBondContact O-N 3Å
1049	G	85.6	Confident	87.7	Confident	21 Å²	21	37.7 Å²	37.7	22%	0.216	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	13.4	-176.9	0	0	0	0	0	114.4	A1045 V1046 K1051 I1089	A1045-G1049 PolarHBondContact O-N 3.49Å; V1046-G1049 WeakPolarHBondContact O-CA 3.33Å; V1046-G1049 PolarHBondContact O-N 3.41Å; G1049-K1051 PolarHBondContact O-N 3.17Å; G1049-I1089 WeakPolarHBondContact O-CD1 3.4Å
1050	S	86.3	Confident	87.6	Confident	10 Å²	10	38.8 Å²	38.8	7%	0.07	20%	0.195	C	C	.	.			trans	-78	92.8	-171.8	-159	0	0	0	0	111.7	E1016 A1045 T1048 D1052 I1053 V1054	E1016-S1050 WeakPolarHBondContact OE2-CB 3.26Å; E1016-S1050 PolarHBondContact OE2-OG 2.93Å; A1045-S1050 PolarHBondContact O-N 3Å; T1048-S1050 PolarHBondContact O-N 3Å; S1050-D1052 VanDerWaalsContact C-N 3.3Å; S1050-D1052 PolarHBondContact O-N 2.77Å; S1050-I1053 PolarHBondContact O-N 3.34Å; S1050-I1053 VanDerWaalsContact O-N 3.13Å; S1050-V1054 PolarHBondContact O-N 2.71Å
1051	K	89.1	Confident	87.3	Confident	99 Å²	99	39.7 Å²	39.7	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-55.9	-39.5	-169.6	-61.5	-172.6	-172.8	-175.4	0	113.8	G1049 K1055 S1088 I1089 F1092	G1049-K1051 PolarHBondContact O-N 3.17Å; K1051-K1055 WeakPolarHBondContact O-CB 3.27Å; K1051-K1055 PolarHBondContact O-N 3.49Å; K1051-S1088 PolarHBondContact NZ-OG 3.09Å; K1051-I1089 HydrophobicContact CG-CD1 4.04Å; K1051-I1089 HydrophobicContact CG-CG1 4.11Å; K1051-F1092 HydrophobicContact CB-CE2 4.31Å
1052	D	86.8	Confident	86.8	Confident	111 Å²	111	43.2 Å²	43.2	59%	0.594	22%	0.223	S	C	*	.	H	α-helix	trans	-75.5	-31.2	-177.5	-60.5	-60.6	0	0	0	112.1	L1018 S1050 Y1056	L1018-D1052 HydrophobicContact CD2-CB 3.9Å; S1050-D1052 VanDerWaalsContact C-N 3.3Å; S1050-D1052 PolarHBondContact O-N 2.77Å; D1052-Y1056 WeakPolarHBondContact O-CB 3.35Å; D1052-Y1056 PolarHBondContact O-N 3.44Å
1053	I	87.4	Confident	86.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-70.8	-46.6	171.3	-61.5	-177.7	0	0	0	110.5	I1013 L1018 L1021 A1045 S1050 K1055 Y1056 L1057	I1013-I1053 HydrophobicContact CG1-CG2 4.08Å; I1013-I1053 HydrophobicContact CG2-CG2 4.39Å; L1018-I1053 HydrophobicContact CB-CG1 4.03Å; L1018-I1053 HydrophobicContact CD1-CG1 4.13Å; L1021-I1053 HydrophobicContact CD1-CG2 4.17Å; A1045-I1053 HydrophobicContact CB-CB 4.45Å; A1045-I1053 HydrophobicContact CB-CG2 3.81Å; S1050-I1053 PolarHBondContact O-N 3.34Å; S1050-I1053 VanDerWaalsContact O-N 3.13Å; I1053-K1055 VanDerWaalsContact C-N 3.26Å; I1053-K1055 PolarHBondContact O-N 2.99Å; I1053-Y1056 PolarHBondContact O-N 3.08Å; I1053-Y1056 VanDerWaalsContact O-N 3.15Å; I1053-L1057 HydrophobicContact CG2-CD1 4.08Å; I1053-L1057 HydrophobicContact CG2-CG 4.35Å; I1053-L1057 WeakPolarHBondContact O-CG 3.29Å; I1053-L1057 PolarHBondContact O-N 3.08Å
1054	V	89.9	Confident	85.5	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-53.4	-47	173.9	168	0	0	0	0	110.5	L1042 A1045 V1046 S1050 L1057 I1058 I1089	L1042-V1054 HydrophobicContact CD1-CG1 4.3Å; A1045-V1054 HydrophobicContact CB-CG2 3.71Å; A1045-V1054 WeakPolarHBondContact O-CG2 3.22Å; V1046-V1054 HydrophobicContact CG2-CG2 4.29Å; S1050-V1054 PolarHBondContact O-N 2.71Å; V1054-L1057 PolarHBondContact O-N 3.42Å; V1054-I1058 HydrophobicContact CG1-CD1 3.72Å; V1054-I1058 WeakPolarHBondContact O-CB 3.45Å; V1054-I1058 VanDerWaalsContact O-CG1 3.28Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.39Å; V1054-I1058 PolarHBondContact O-N 3.4Å; V1054-I1089 HydrophobicContact CG1-CG1 4.42Å; V1054-I1089 HydrophobicContact CG1-CG2 4.24Å; V1054-I1089 HydrophobicContact CG2-CD1 4.11Å; V1054-I1089 HydrophobicContact CG2-CG1 4.32Å; V1054-I1089 HydrophobicContact CG2-CG2 4.44Å
1055	K	88.8	Confident	85.1	Confident	95 Å²	95	51.7 Å²	51.7	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-44.8	177.7	-176.2	179.1	171.1	-174.7	0	112.4	K1051 I1053 L1057 I1058 E1059	K1051-K1055 WeakPolarHBondContact O-CB 3.27Å; K1051-K1055 PolarHBondContact O-N 3.49Å; I1053-K1055 VanDerWaalsContact C-N 3.26Å; I1053-K1055 PolarHBondContact O-N 2.99Å; K1055-L1057 VanDerWaalsContact C-N 3.33Å; K1055-L1057 PolarHBondContact O-N 3.49Å; K1055-I1058 PolarHBondContact O-N 3.44Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.31Å; K1055-E1059 IonicContact NZ-OE1 2.83Å; K1055-E1059 PolarHBondContact NZ-OE1 3.35Å; K1055-E1059 PolarHBondContact O-N 2.88Å
1056	Y	85.8	Confident	84.8	Confident	42 Å²	42	52 Å²	52	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-40.7	178.2	-176.3	-95.7	0	0	0	112.2	L1018 L1021 T1022 H1025 L1031 D1052 I1053 E1059 N1060	L1018-Y1056 HydrophobicContact CD1-CD1 4.4Å; L1018-Y1056 HydrophobicContact CD1-CD2 4.41Å; L1018-Y1056 HydrophobicContact CD1-CG 3.95Å; L1021-Y1056 HydrophobicContact CD2-CD1 3.42Å; L1021-Y1056 VanDerWaalsContact CD2-CD1 3.42Å; L1021-Y1056 HydrophobicContact CD2-CE1 3.48Å; L1021-Y1056 VanDerWaalsContact CD2-CE1 3.48Å; T1022-Y1056 HydrophobicContact CG2-CD1 4.45Å; T1022-Y1056 HydrophobicContact CG2-CD2 3.97Å; T1022-Y1056 HydrophobicContact CG2-CE1 4.05Å; T1022-Y1056 HydrophobicContact CG2-CE2 3.51Å; T1022-Y1056 HydrophobicContact CG2-CG 4.41Å; H1025-Y1056 AromaticContact ND1-CE1 3.88Å; H1025-Y1056 AromaticContact ND1-CZ 3.73Å; H1025-Y1056 PolarHBondContact ND1-OH 3.43Å; L1031-Y1056 HydrophobicContact CD1-CE1 4.17Å; D1052-Y1056 WeakPolarHBondContact O-CB 3.35Å; D1052-Y1056 PolarHBondContact O-N 3.44Å; I1053-Y1056 PolarHBondContact O-N 3.08Å; I1053-Y1056 VanDerWaalsContact O-N 3.15Å; Y1056-E1059 PolarHBondContact O-N 2.97Å; Y1056-N1060 PolarHBondContact O-N 2.63Å; Y1056-N1060 PolarHBondContact O-ND2 3.15Å
1057	L	86.8	Confident	84.6	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-46.8	174.6	-67.1	173.7	0	0	0	111.1	I1013 L1031 L1041 L1042 A1045 I1053 V1054 K1055 E1059 N1060 V1061	I1013-L1057 HydrophobicContact CD1-CD1 4.24Å; L1031-L1057 HydrophobicContact CB-CD2 4.42Å; L1031-L1057 HydrophobicContact CD1-CD2 4.26Å; L1031-L1057 HydrophobicContact CD2-CD2 4.06Å; L1031-L1057 HydrophobicContact CG-CD2 4.49Å; L1041-L1057 HydrophobicContact CB-CD1 4.09Å; L1041-L1057 HydrophobicContact CB-CD2 4.27Å; L1041-L1057 HydrophobicContact CD1-CD2 4.35Å; L1042-L1057 HydrophobicContact CD1-CB 4.17Å; L1042-L1057 HydrophobicContact CD1-CD1 4.36Å; A1045-L1057 HydrophobicContact CB-CD1 3.76Å; I1053-L1057 HydrophobicContact CG2-CD1 4.08Å; I1053-L1057 HydrophobicContact CG2-CG 4.35Å; I1053-L1057 WeakPolarHBondContact O-CG 3.29Å; I1053-L1057 PolarHBondContact O-N 3.08Å; V1054-L1057 PolarHBondContact O-N 3.42Å; K1055-L1057 VanDerWaalsContact C-N 3.33Å; K1055-L1057 PolarHBondContact O-N 3.49Å; L1057-E1059 VanDerWaalsContact C-N 3.27Å; L1057-E1059 PolarHBondContact O-N 3.49Å; L1057-N1060 PolarHBondContact O-N 2.78Å; L1057-N1060 VanDerWaalsContact O-N 3.12Å; L1057-V1061 HydrophobicContact CB-CG2 4.4Å; L1057-V1061 HydrophobicContact CD2-CG2 4.35Å; L1057-V1061 VanDerWaalsContact O-CB 3.27Å; L1057-V1061 WeakPolarHBondContact O-CB 3.29Å; L1057-V1061 VanDerWaalsContact O-CG2 3.27Å; L1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; L1057-V1061 PolarHBondContact O-N 3.01Å
1058	I	88.4	Confident	84.6	Confident	36 Å²	36	50.3 Å²	50.3	19%	0.185	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-37.7	176.1	-74.3	169	0	0	0	112.5	L1042 V1054 K1055 N1060 L1066 F1092 L1093 A1096	L1042-I1058 HydrophobicContact CD1-CG1 4.35Å; V1054-I1058 HydrophobicContact CG1-CD1 3.72Å; V1054-I1058 WeakPolarHBondContact O-CB 3.45Å; V1054-I1058 VanDerWaalsContact O-CG1 3.28Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.39Å; V1054-I1058 PolarHBondContact O-N 3.4Å; K1055-I1058 PolarHBondContact O-N 3.44Å; I1058-N1060 VanDerWaalsContact C-N 3.34Å; I1058-N1060 PolarHBondContact O-N 3.48Å; I1058-L1066 HydrophobicContact CG1-CD2 4.05Å; I1058-F1092 HydrophobicContact CD1-CB 3.98Å; I1058-L1093 HydrophobicContact CD1-CD2 3.97Å; I1058-L1093 HydrophobicContact CD1-CG 4.43Å; I1058-L1093 HydrophobicContact CG1-CD2 4.46Å; I1058-A1096 HydrophobicContact CD1-CB 4.36Å; I1058-A1096 HydrophobicContact CG1-CB 4.4Å; I1058-A1096 HydrophobicContact CG2-CB 3.57Å
1059	E	85.9	Confident	84.7	Confident	130 Å²	130	50.3 Å²	50.3	61%	0.607	29%	0.285	S	S	*	.	H	α-helix	trans	-77.5	-13.3	-179.8	-72.7	-177.5	172.2	0	0	114.1	K1055 Y1056 L1057	K1055-E1059 WeakPolarHBondContact CE-OE1 3.31Å; K1055-E1059 IonicContact NZ-OE1 2.83Å; K1055-E1059 PolarHBondContact NZ-OE1 3.35Å; K1055-E1059 PolarHBondContact O-N 2.88Å; Y1056-E1059 PolarHBondContact O-N 2.97Å; L1057-E1059 VanDerWaalsContact C-N 3.27Å; L1057-E1059 PolarHBondContact O-N 3.49Å
1060	N	82.4	Confident	84.8	Confident	73 Å²	73	49.5 Å²	49.5	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-124.2	-18.3	-173.7	-68.3	-90.1	0	0	0	115.2	L1031 Y1056 L1057 I1058	L1031-N1060 HydrophobicContact CD1-CB 3.81Å; Y1056-N1060 PolarHBondContact O-N 2.63Å; Y1056-N1060 PolarHBondContact O-ND2 3.15Å; L1057-N1060 PolarHBondContact O-N 2.78Å; L1057-N1060 VanDerWaalsContact O-N 3.12Å; I1058-N1060 VanDerWaalsContact C-N 3.34Å; I1058-N1060 PolarHBondContact O-N 3.48Å
1061	V	82.1	Confident	84.8	Confident	25 Å²	25	53.7 Å²	53.7	15%	0.152	30%	0.3	C	S	.	.	S	Bend	trans	-96.5	137.3	-178.7	179.8	0	0	0	0	110.1	L1031 L1057 H1065	L1031-V1061 HydrophobicContact CB-CG2 3.64Å; L1031-V1061 HydrophobicContact CD1-CG2 4.39Å; L1057-V1061 HydrophobicContact CB-CG2 4.4Å; L1057-V1061 HydrophobicContact CD2-CG2 4.35Å; L1057-V1061 VanDerWaalsContact O-CB 3.27Å; L1057-V1061 WeakPolarHBondContact O-CB 3.29Å; L1057-V1061 VanDerWaalsContact O-CG2 3.27Å; L1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; L1057-V1061 PolarHBondContact O-N 3.01Å; V1061-H1065 HydrophobicContact CG1-CB 3.52Å
1062	P	77.2	Confident	84.5	Confident	76 Å²	76	54.6 Å²	54.6	49%	0.494	31%	0.306	S	S	.	.			trans	-63.2	142.2	179.5	24.7	-34.4	0	0	0	112.9	S1064 H1065	P1062-S1064 PolarHBondContact O-N 3.42Å; P1062-H1065 WeakPolarHBondContact O-CB 3.36Å; P1062-H1065 PolarHBondContact O-N 3.19Å
1063	A	76.1	Confident	84.4	Confident	73 Å²	73	50.8 Å²	50.8	60%	0.603	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-55.3	-25.5	-170.3	0	0	0	0	0	115.5	H1065 L1066	A1063-H1065 PolarHBondContact O-N 3.29Å; A1063-H1065 VanDerWaalsContact O-N 3.16Å; A1063-L1066 HydrophobicContact CB-CD1 4.39Å; A1063-L1066 WeakPolarHBondContact O-CB 3.43Å; A1063-L1066 WeakPolarHBondContact O-CG 3.45Å; A1063-L1066 PolarHBondContact O-N 3.33Å
1064	S	75.9	Confident	84.3	Confident	86 Å²	86	51.2 Å²	51.2	60%	0.601	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-59.2	-22.3	173.8	54.2	0	0	0	0	114	P1062	P1062-S1064 PolarHBondContact O-N 3.42Å
1065	H	78.9	Confident	84.3	Confident	47 Å²	47	52.1 Å²	52.1	22%	0.218	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-89.8	-12.7	-176.7	-67.4	47	0	0	0	113.9	V1061 P1062 A1063 D1067 L1068	V1061-H1065 HydrophobicContact CG1-CB 3.52Å; P1062-H1065 WeakPolarHBondContact O-CB 3.36Å; P1062-H1065 PolarHBondContact O-N 3.19Å; A1063-H1065 PolarHBondContact O-N 3.29Å; A1063-H1065 VanDerWaalsContact O-N 3.16Å; H1065-D1067 PolarHBondContact O-N 3.14Å; H1065-L1068 HydrophobicContact CB-CD1 3.8Å; H1065-L1068 HydrophobicContact CB-CG 4.46Å; H1065-L1068 PolarHBondContact O-N 3.14Å
1066	L	83.1	Confident	84.5	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.5	171.4	-59.3	174.5	0	0	0	111.6	L1042 I1058 A1063 A1096 A1098	L1042-L1066 HydrophobicContact CD2-CD2 3.88Å; I1058-L1066 HydrophobicContact CG1-CD2 4.05Å; A1063-L1066 HydrophobicContact CB-CD1 4.39Å; A1063-L1066 WeakPolarHBondContact O-CB 3.43Å; A1063-L1066 WeakPolarHBondContact O-CG 3.45Å; A1063-L1066 PolarHBondContact O-N 3.33Å; L1066-A1096 HydrophobicContact CD1-CB 3.75Å; L1066-A1096 WeakPolarHBondContact CD1-O 3.45Å; L1066-A1096 HydrophobicContact CD2-CB 4.37Å; L1066-A1098 HydrophobicContact CB-CB 4.23Å
1067	D	86.7	Confident	84.8	Confident	33 Å²	33	45.7 Å²	45.7	18%	0.176	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	9.3	-171.9	-103.7	32.6	0	0	0	113.1	H1065 S1099 K1102	H1065-D1067 PolarHBondContact O-N 3.14Å; D1067-S1099 WeakPolarHBondContact OD1-CB 3.38Å; D1067-S1099 PolarHBondContact OD1-N 3.19Å; D1067-S1099 WeakPolarHBondContact OD2-CB 3.35Å; D1067-K1102 HydrophobicContact CB-CD 4.24Å; D1067-K1102 PolarHBondContact O-NZ 2.9Å; D1067-K1102 WeakPolarHBondContact OD2-CE 3.29Å; D1067-K1102 IonicContact OD2-NZ 2.85Å
1068	L	87.4	Confident	85.1	Confident	42 Å²	42	45.6 Å²	45.6	22%	0.22	27%	0.269	C	S	.	.			trans	-65.1	146.9	170.3	-73.4	167	0	0	0	110.4	H1043 H1065 T1076	H1043-L1068 PolarHBondContact CE1-O 2.68Å; H1043-L1068 PolarHBondContact NE2-O 2.93Å; H1065-L1068 HydrophobicContact CB-CD1 3.8Å; H1065-L1068 HydrophobicContact CB-CG 4.46Å; H1065-L1068 PolarHBondContact O-N 3.14Å; L1068-T1076 VanDerWaalsContact O-CA 3.31Å; L1068-T1076 WeakPolarHBondContact O-CA 3.27Å; L1068-T1076 VanDerWaalsContact O-CB 3.31Å; L1068-T1076 WeakPolarHBondContact O-CB 3.27Å; L1068-T1076 WeakPolarHBondContact O-CG2 3.39Å
1069	A	88.2	Confident	85.3	Confident	47 Å²	47	43.9 Å²	43.9	39%	0.388	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-121.2	138.9	179.3	0	0	0	0	0	109.5	G1074 E1075 T1076	A1069-G1074 WeakPolarHBondContact CB-O 2.81Å; A1069-E1075 WeakPolarHBondContact CA-O 3.35Å; A1069-T1076 HydrophobicContact CB-CG2 4.26Å
1070	E	88.6	Confident	85.5	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.019	24%	0.235	C	C	.	.			trans	-72	153.6	175.7	72.8	177.7	-165.2	0	0	112.1	R1039 T1073 G1074 E1075 K1080	R1039-E1070 HydrophobicContact CG-CB 3.88Å; R1039-E1070 WeakPolarHBondContact CG-OE2 3.48Å; R1039-E1070 IonicContact CZ-OE2 2.72Å; R1039-E1070 VanDerWaalsContact CZ-OE2 3.29Å; R1039-E1070 IonicContact NE-OE2 3.94Å; R1039-E1070 PolarHBondContact NE-OE2 3.15Å; R1039-E1070 VanDerWaalsContact NH2-CD 3.32Å; R1039-E1070 IonicContact NH2-OE1 3.76Å; R1039-E1070 PolarHBondContact NH2-OE1 2.73Å; R1039-E1070 IonicContact NH2-OE2 3.75Å; R1039-E1070 PolarHBondContact NH2-OE2 2.79Å; E1070-T1073 VanDerWaalsContact CD-OG1 3.28Å; E1070-T1073 WeakPolarHBondContact CG-OG1 3.47Å; E1070-T1073 WeakPolarHBondContact OE1-CG2 3.37Å; E1070-T1073 PolarHBondContact OE1-OG1 3.41Å; E1070-G1074 WeakPolarHBondContact O-CA 3.28Å; E1070-G1074 PolarHBondContact O-N 3.35Å; E1070-E1075 PolarHBondContact N-O 3.39Å; E1070-K1080 WeakPolarHBondContact OE1-CE 3.23Å; E1070-K1080 IonicContact OE1-NZ 3.48Å; E1070-K1080 PolarHBondContact OE1-NZ 3.43Å; E1070-K1080 WeakPolarHBondContact OE2-CE 3.41Å; E1070-K1080 IonicContact OE2-NZ 2.63Å; E1070-K1080 PolarHBondContact OE2-NZ 3.06Å
1071	T	84.9	Confident	86.1	Confident	97 Å²	97	35.1 Å²	35.1	60%	0.595	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-29.2	-171.9	56.4	0	0	0	0	113.5	D1037	D1037-T1071 PolarHBondContact O-N 3.33Å; D1037-T1071 PolarHBondContact O-OG1 2.91Å
1072	E	83.8	Confident	86.6	Confident	119 Å²	119	34 Å²	34	56%	0.556	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.3	-177	-62.6	-167.7	111.5	0	0	113.6	R1039	R1039-E1072 IonicContact CZ-OE2 3.6Å; R1039-E1072 IonicContact NH1-OE2 3.2Å; R1039-E1072 PolarHBondContact NH1-OE2 3.12Å; R1039-E1072 IonicContact NH2-OE2 3.76Å; R1039-E1072 PolarHBondContact NH2-OE2 2.92Å
1073	T	83.4	Confident	87.3	Confident	30 Å²	30	32 Å²	32	18%	0.184	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-18.6	-169.6	63.9	0	0	0	0	114.4	E1070 E1075 L1105	E1070-T1073 VanDerWaalsContact CD-OG1 3.28Å; E1070-T1073 WeakPolarHBondContact CG-OG1 3.47Å; E1070-T1073 WeakPolarHBondContact OE1-CG2 3.37Å; E1070-T1073 PolarHBondContact OE1-OG1 3.41Å; T1073-E1075 PolarHBondContact O-N 2.85Å; T1073-E1075 VanDerWaalsContact OG1-CB 3.28Å; T1073-E1075 WeakPolarHBondContact OG1-CB 3.28Å; T1073-E1075 VanDerWaalsContact OG1-CG 3.28Å; T1073-E1075 WeakPolarHBondContact OG1-CG 3.47Å; T1073-E1075 PolarHBondContact OG1-N 3.29Å; T1073-E1075 VanDerWaalsContact OG1-N 3.1Å; T1073-L1105 VanDerWaalsContact O-CB 3.27Å; T1073-L1105 WeakPolarHBondContact O-CB 3.49Å; T1073-L1105 WeakPolarHBondContact O-CG 3.49Å; T1073-L1105 PolarHBondContact O-N 2.86Å
1074	G	87	Confident	88	Confident	11 Å²	11	32.1 Å²	32.1	11%	0.113	19%	0.19	C	C	.	.			trans	72	3.9	-167.7	0	0	0	0	0	114.4	A1069 E1070 T1076	A1069-G1074 WeakPolarHBondContact CB-O 2.81Å; E1070-G1074 WeakPolarHBondContact O-CA 3.28Å; E1070-G1074 PolarHBondContact O-N 3.35Å; G1074-T1076 PolarHBondContact O-N 2.89Å
1075	E	90.1	Very high	88.7	Confident	19 Å²	19	30.3 Å²	30.3	9%	0.089	18%	0.176	C	C	.	.			trans	-65.5	133	175.7	-71.7	172.7	-162.5	0	0	110.8	H1043 A1069 E1070 T1073 H1079 K1080 D1104 R1113	H1043-E1075 PolarHBondContact NE2-O 3.48Å; A1069-E1075 WeakPolarHBondContact CA-O 3.35Å; E1070-E1075 PolarHBondContact N-O 3.39Å; T1073-E1075 PolarHBondContact O-N 2.85Å; T1073-E1075 VanDerWaalsContact OG1-CB 3.28Å; T1073-E1075 WeakPolarHBondContact OG1-CB 3.28Å; T1073-E1075 VanDerWaalsContact OG1-CG 3.28Å; T1073-E1075 WeakPolarHBondContact OG1-CG 3.47Å; T1073-E1075 PolarHBondContact OG1-N 3.29Å; T1073-E1075 VanDerWaalsContact OG1-N 3.1Å; E1075-H1079 HydrophobicContact CB-CB 3.87Å; E1075-H1079 HydrophobicContact CG-CB 4.02Å; E1075-K1080 HydrophobicContact CB-CG 4.32Å; E1075-K1080 VanDerWaalsContact OE2-CG 3.23Å; E1075-K1080 WeakPolarHBondContact OE2-CG 3.4Å; E1075-K1080 IonicContact OE2-NZ 3.49Å; E1075-K1080 PolarHBondContact OE2-NZ 2.89Å; E1075-D1104 HydrophobicContact CG-CB 4.24Å; E1075-R1113 IonicContact OE1-CZ 3.33Å; E1075-R1113 IonicContact OE1-NH1 3.97Å; E1075-R1113 PolarHBondContact OE1-NH1 3.36Å; E1075-R1113 IonicContact OE1-NH2 2.67Å; E1075-R1113 PolarHBondContact OE1-NH2 3.03Å
1076	T	92.7	Very high	89.2	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.012	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-85.9	168.4	165.6	74.2	0	0	0	0	111.3	H1043 L1068 A1069 G1074 L1078 H1079 K1080 K1102	H1043-T1076 VanDerWaalsContact NE2-C 3.32Å; L1068-T1076 VanDerWaalsContact O-CA 3.31Å; L1068-T1076 WeakPolarHBondContact O-CA 3.27Å; L1068-T1076 VanDerWaalsContact O-CB 3.31Å; L1068-T1076 WeakPolarHBondContact O-CB 3.27Å; L1068-T1076 WeakPolarHBondContact O-CG2 3.39Å; A1069-T1076 HydrophobicContact CB-CG2 4.26Å; G1074-T1076 PolarHBondContact O-N 2.89Å; T1076-L1078 PolarHBondContact O-N 3.35Å; T1076-L1078 PolarHBondContact OG1-N 2.96Å; T1076-H1079 PolarHBondContact N-ND1 3.33Å; T1076-H1079 WeakPolarHBondContact O-CA 3.18Å; T1076-H1079 WeakPolarHBondContact O-CB 3.28Å; T1076-H1079 PolarHBondContact O-N 3.05Å; T1076-H1079 PolarHBondContact OG1-ND1 3.47Å; T1076-K1080 PolarHBondContact O-N 2.95Å; T1076-K1080 VanDerWaalsContact O-N 3.13Å; T1076-K1102 HydrophobicContact CG2-CD 4.17Å
1077	A	91.1	Very high	89.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-53.3	-31.5	175.3	0	0	0	0	0	113.2	L1042 H1043 V1046 A1081 L1093	L1042-A1077 HydrophobicContact CB-CB 4.42Å; L1042-A1077 HydrophobicContact CD2-CB 3.85Å; L1042-A1077 HydrophobicContact CG-CB 3.82Å; H1043-A1077 PolarHBondContact NE2-N 2.97Å; V1046-A1077 HydrophobicContact CG2-CB 4.2Å; A1077-A1081 WeakPolarHBondContact O-CB 3.47Å; A1077-A1081 PolarHBondContact O-N 3.06Å; A1077-L1093 HydrophobicContact CB-CD1 4.49Å
1078	L	93.8	Very high	89.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-75.6	-30.8	175.4	-175.1	57.2	0	0	0	113.2	T1076 A1082 C1090 L1093 V1094 A1098 L1100 P1110 L1126	T1076-L1078 PolarHBondContact O-N 3.35Å; T1076-L1078 PolarHBondContact OG1-N 2.96Å; L1078-A1082 VanDerWaalsContact O-CB 3.29Å; L1078-A1082 WeakPolarHBondContact O-CB 3.36Å; L1078-A1082 PolarHBondContact O-N 3.44Å; L1078-C1090 HydrophobicContact CD1-CB 4.05Å; L1078-L1093 HydrophobicContact CB-CD1 4.21Å; L1078-L1093 HydrophobicContact CD1-CB 4.03Å; L1078-L1093 HydrophobicContact CD1-CD1 4.11Å; L1078-V1094 HydrophobicContact CD1-CG2 4.24Å; L1078-V1094 HydrophobicContact CD2-CG2 3.95Å; L1078-A1098 HydrophobicContact CD2-CB 4.15Å; L1078-L1100 HydrophobicContact CD2-CD2 3.92Å; L1078-P1110 HydrophobicContact CB-CG 4.45Å; L1078-P1110 HydrophobicContact CD2-CB 4.32Å; L1078-P1110 HydrophobicContact CD2-CG 4.13Å; L1078-P1110 HydrophobicContact CG-CB 3.92Å; L1078-P1110 HydrophobicContact CG-CG 4.01Å; L1078-L1126 HydrophobicContact CD1-CD2 4.48Å
1079	H	92.6	Very high	89.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-44.1	171.4	-68.7	78.7	0	0	0	110.8	E1075 T1076 A1082 A1083 K1102 D1108 P1110	E1075-H1079 HydrophobicContact CB-CB 3.87Å; E1075-H1079 HydrophobicContact CG-CB 4.02Å; T1076-H1079 PolarHBondContact N-ND1 3.33Å; T1076-H1079 WeakPolarHBondContact O-CA 3.18Å; T1076-H1079 WeakPolarHBondContact O-CB 3.28Å; T1076-H1079 PolarHBondContact O-N 3.05Å; T1076-H1079 PolarHBondContact OG1-ND1 3.47Å; H1079-A1082 PolarHBondContact O-N 3.28Å; H1079-A1083 WeakPolarHBondContact O-CB 3.39Å; H1079-A1083 PolarHBondContact O-N 2.98Å; H1079-K1102 PolarHBondContact CE1-O 2.94Å; H1079-K1102 VanDerWaalsContact CE1-O 3.32Å; H1079-K1102 PolarHBondContact NE2-O 3.15Å; H1079-D1108 PolarHBondContact NE2-O 2.7Å; H1079-P1110 WeakPolarHBondContact NE2-CD 3.5Å
1080	K	90.6	Very high	90	Very high	19 Å²	19	30.7 Å²	30.7	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-43.3	175.5	-68.7	-166.3	-172.5	-61.2	0	112.5	V1046 E1070 E1075 T1076 A1082 A1083 L1084	V1046-K1080 HydrophobicContact CG1-CB 3.84Å; E1070-K1080 WeakPolarHBondContact OE1-CE 3.23Å; E1070-K1080 IonicContact OE1-NZ 3.48Å; E1070-K1080 PolarHBondContact OE1-NZ 3.43Å; E1070-K1080 WeakPolarHBondContact OE2-CE 3.41Å; E1070-K1080 IonicContact OE2-NZ 2.63Å; E1070-K1080 PolarHBondContact OE2-NZ 3.06Å; E1075-K1080 HydrophobicContact CB-CG 4.32Å; E1075-K1080 VanDerWaalsContact OE2-CG 3.23Å; E1075-K1080 WeakPolarHBondContact OE2-CG 3.4Å; E1075-K1080 IonicContact OE2-NZ 3.49Å; E1075-K1080 PolarHBondContact OE2-NZ 2.89Å; T1076-K1080 PolarHBondContact O-N 2.95Å; T1076-K1080 VanDerWaalsContact O-N 3.13Å; K1080-A1082 VanDerWaalsContact C-N 3.27Å; K1080-A1082 PolarHBondContact O-N 3.13Å; K1080-A1083 PolarHBondContact O-N 2.98Å; K1080-L1084 WeakPolarHBondContact O-CB 3.35Å; K1080-L1084 VanDerWaalsContact O-CG 3.29Å; K1080-L1084 WeakPolarHBondContact O-CG 3.35Å; K1080-L1084 PolarHBondContact O-N 3.29Å
1081	A	93.3	Very high	90.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-37.4	176.8	0	0	0	0	0	111.9	V1046 A1077 C1085 Q1086 I1089 C1090 L1093	V1046-A1081 HydrophobicContact CG1-CB 3.77Å; A1077-A1081 WeakPolarHBondContact O-CB 3.47Å; A1077-A1081 PolarHBondContact O-N 3.06Å; A1081-C1085 PolarHBondContact O-N 3.37Å; A1081-Q1086 PolarHBondContact O-N 2.89Å; A1081-I1089 HydrophobicContact CB-CG2 3.71Å; A1081-C1090 VanDerWaalsContact CB-SG 3.51Å; A1081-L1093 HydrophobicContact CB-CD1 3.97Å
1082	A	92.8	Very high	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69	-45.7	174.9	0	0	0	0	0	112.8	L1078 H1079 K1080 L1084 C1085 P1110 R1113 A1114 L1126	L1078-A1082 VanDerWaalsContact O-CB 3.29Å; L1078-A1082 WeakPolarHBondContact O-CB 3.36Å; L1078-A1082 PolarHBondContact O-N 3.44Å; H1079-A1082 PolarHBondContact O-N 3.28Å; K1080-A1082 VanDerWaalsContact C-N 3.27Å; K1080-A1082 PolarHBondContact O-N 3.13Å; A1082-L1084 VanDerWaalsContact C-N 3.28Å; A1082-L1084 PolarHBondContact O-N 3.1Å; A1082-C1085 PolarHBondContact O-N 2.65Å; A1082-C1085 VanDerWaalsContact O-N 3.11Å; A1082-P1110 HydrophobicContact CB-CB 4.35Å; A1082-P1110 VanDerWaalsContact CB-O 3.29Å; A1082-P1110 WeakPolarHBondContact CB-O 3.29Å; A1082-R1113 HydrophobicContact CB-CB 4.32Å; A1082-A1114 HydrophobicContact CB-CB 4.09Å; A1082-L1126 HydrophobicContact CB-CD1 4.31Å
1083	A	91.7	Very high	90.6	Very high	36 Å²	36	27.3 Å²	27.3	30%	0.298	15%	0.145	S	C	.	.	H	α-helix	trans	-66.4	-27.8	178.2	0	0	0	0	0	113.5	H1079 K1080 C1085 R1113	H1079-A1083 WeakPolarHBondContact O-CB 3.39Å; H1079-A1083 PolarHBondContact O-N 2.98Å; K1080-A1083 PolarHBondContact O-N 2.98Å; A1083-C1085 VanDerWaalsContact C-N 3.34Å; A1083-R1113 HydrophobicContact CB-CB 4.41Å
1084	L	90.9	Very high	90.9	Very high	75 Å²	75	26.7 Å²	26.7	39%	0.393	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	9.1	174.4	-62.6	173.3	0	0	0	113	K1080 A1082 Q1086	K1080-L1084 WeakPolarHBondContact O-CB 3.35Å; K1080-L1084 VanDerWaalsContact O-CG 3.29Å; K1080-L1084 WeakPolarHBondContact O-CG 3.35Å; K1080-L1084 PolarHBondContact O-N 3.29Å; A1082-L1084 VanDerWaalsContact C-N 3.28Å; A1082-L1084 PolarHBondContact O-N 3.1Å; L1084-Q1086 HydrophobicContact CB-CG 3.76Å; L1084-Q1086 WeakPolarHBondContact O-CG 3.36Å; L1084-Q1086 PolarHBondContact O-N 3.32Å; L1084-Q1086 VanDerWaalsContact O-N 3.09Å
1085	C	91.4	Very high	90.9	Very high	47 Å²	47	34.2 Å²	34.2	32%	0.318	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	29.6	-178.4	-55.5	0	0	0	0	114.5	A1081 A1082 A1083 R1087 A1117 D1119	A1081-C1085 PolarHBondContact O-N 3.37Å; A1082-C1085 PolarHBondContact O-N 2.65Å; A1082-C1085 VanDerWaalsContact O-N 3.11Å; A1083-C1085 VanDerWaalsContact C-N 3.34Å; C1085-R1087 PolarHBondContact O-N 2.78Å; C1085-A1117 VanDerWaalsContact SG-CB 3.53Å; C1085-A1117 PolarHBondContact SG-O 3.01Å; C1085-D1119 HydrophobicContact CB-CB 4.24Å
1086	Q	89.8	Confident	90.6	Very high	38 Å²	38	35 Å²	35	18%	0.178	18%	0.182	C	C	.	.			trans	-82.3	62.2	-173	-63.3	-177.9	0.9	0	0	112.3	V1046 A1081 L1084 S1088 I1089 C1090	V1046-Q1086 PolarHBondContact O-NE2 2.96Å; V1046-Q1086 PolarHBondContact O-OE1 3.42Å; V1046-Q1086 VanDerWaalsContact O-OE1 3.12Å; A1081-Q1086 PolarHBondContact O-N 2.89Å; L1084-Q1086 HydrophobicContact CB-CG 3.76Å; L1084-Q1086 WeakPolarHBondContact O-CG 3.36Å; L1084-Q1086 PolarHBondContact O-N 3.32Å; L1084-Q1086 VanDerWaalsContact O-N 3.09Å; Q1086-S1088 VanDerWaalsContact C-N 3.27Å; Q1086-S1088 PolarHBondContact O-N 2.86Å; Q1086-I1089 HydrophobicContact CB-CB 4.07Å; Q1086-I1089 HydrophobicContact CB-CD1 4.46Å; Q1086-I1089 WeakPolarHBondContact O-CA 3.33Å; Q1086-I1089 PolarHBondContact O-N 3.11Å; Q1086-C1090 PolarHBondContact O-N 3.4Å
1087	R	90.9	Very high	90.2	Very high	103 Å²	103	37.3 Å²	37.3	39%	0.389	21%	0.207	S	C	.	.	H	α-helix	trans	-39.8	-46.8	-175.1	-61.8	175.8	177.2	-162.4	-5.9	115	C1085 I1089 C1090 H1091 D1119 E1121 L1122	C1085-R1087 PolarHBondContact O-N 2.78Å; R1087-I1089 PolarHBondContact O-N 2.7Å; R1087-C1090 PolarHBondContact O-N 3.04Å; R1087-H1091 PolarHBondContact O-CD2 2.81Å; R1087-H1091 PolarHBondContact O-N 2.94Å; R1087-D1119 WeakPolarHBondContact CG-OD2 3.46Å; R1087-D1119 IonicContact CZ-OD1 3.94Å; R1087-D1119 IonicContact CZ-OD2 3.15Å; R1087-D1119 IonicContact NE-OD1 3.85Å; R1087-D1119 PolarHBondContact NE-OD1 2.99Å; R1087-D1119 IonicContact NE-OD2 3.97Å; R1087-D1119 PolarHBondContact NE-OD2 3.1Å; R1087-D1119 IonicContact NH2-OD1 2.67Å; R1087-D1119 PolarHBondContact NH2-OD1 2.79Å; R1087-D1119 IonicContact NH2-OD2 2.7Å; R1087-D1119 PolarHBondContact NH2-OD2 3.08Å; R1087-E1121 IonicContact CZ-OE2 2.72Å; R1087-E1121 IonicContact NH1-OE2 3.18Å; R1087-E1121 PolarHBondContact NH1-OE2 2.91Å; R1087-E1121 IonicContact NH2-OE2 3.15Å; R1087-E1121 PolarHBondContact NH2-OE2 3.09Å; R1087-L1122 HydrophobicContact CG-CB 4.32Å; R1087-L1122 HydrophobicContact CG-CD1 4.36Å; R1087-L1122 HydrophobicContact CG-CD2 4.26Å
1088	S	88.6	Confident	90	Very high	44 Å²	44	37.3 Å²	37.3	31%	0.308	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-37.7	178.7	-50.6	0	0	0	0	113.9	K1051 Q1086 H1091 F1092	K1051-S1088 PolarHBondContact NZ-OG 3.09Å; Q1086-S1088 VanDerWaalsContact C-N 3.27Å; Q1086-S1088 PolarHBondContact O-N 2.86Å; S1088-H1091 PolarHBondContact O-N 3.36Å; S1088-F1092 WeakPolarHBondContact O-CD2 3.47Å; S1088-F1092 WeakPolarHBondContact O-CG 3.3Å; S1088-F1092 PolarHBondContact O-N 2.93Å
1089	I	91.3	Very high	89.7	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-77.9	-37.7	-179	-77.8	168	0	0	0	109.9	V1046 G1049 K1051 V1054 A1081 Q1086 R1087 H1091 F1092 L1093	V1046-I1089 HydrophobicContact CG2-CG2 3.81Å; G1049-I1089 WeakPolarHBondContact O-CD1 3.4Å; K1051-I1089 HydrophobicContact CG-CD1 4.04Å; K1051-I1089 HydrophobicContact CG-CG1 4.11Å; V1054-I1089 HydrophobicContact CG1-CG1 4.42Å; V1054-I1089 HydrophobicContact CG1-CG2 4.24Å; V1054-I1089 HydrophobicContact CG2-CD1 4.11Å; V1054-I1089 HydrophobicContact CG2-CG1 4.32Å; V1054-I1089 HydrophobicContact CG2-CG2 4.44Å; A1081-I1089 HydrophobicContact CB-CG2 3.71Å; Q1086-I1089 HydrophobicContact CB-CB 4.07Å; Q1086-I1089 HydrophobicContact CB-CD1 4.46Å; Q1086-I1089 WeakPolarHBondContact O-CA 3.33Å; Q1086-I1089 PolarHBondContact O-N 3.11Å; R1087-I1089 PolarHBondContact O-N 2.7Å; I1089-H1091 VanDerWaalsContact C-N 3.31Å; I1089-H1091 PolarHBondContact O-N 3.34Å; I1089-F1092 PolarHBondContact O-N 2.88Å; I1089-L1093 HydrophobicContact CG2-CD1 3.94Å; I1089-L1093 WeakPolarHBondContact O-CG 3.38Å; I1089-L1093 PolarHBondContact O-N 2.75Å
1090	C	91.7	Very high	89.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-43.9	167.9	-61	0	0	0	0	111.8	L1078 A1081 Q1086 R1087 F1092 L1093 V1094 L1122	L1078-C1090 HydrophobicContact CD1-CB 4.05Å; A1081-C1090 VanDerWaalsContact CB-SG 3.51Å; Q1086-C1090 PolarHBondContact O-N 3.4Å; R1087-C1090 PolarHBondContact O-N 3.04Å; C1090-F1092 PolarHBondContact O-N 3.48Å; C1090-L1093 PolarHBondContact O-N 3.45Å; C1090-V1094 WeakPolarHBondContact O-CB 3.38Å; C1090-V1094 VanDerWaalsContact O-CG2 3.26Å; C1090-V1094 WeakPolarHBondContact O-CG2 3.34Å; C1090-V1094 PolarHBondContact O-N 3.14Å; C1090-L1122 HydrophobicContact CB-CD1 3.82Å
1091	H	89.6	Confident	89.4	Confident	77 Å²	77	41.6 Å²	41.6	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-46.3	174.6	-73.1	-52.2	0	0	0	112.4	R1087 S1088 I1089 V1094 E1095 Y1125	R1087-H1091 PolarHBondContact O-CD2 2.81Å; R1087-H1091 PolarHBondContact O-N 2.94Å; S1088-H1091 PolarHBondContact O-N 3.36Å; I1089-H1091 VanDerWaalsContact C-N 3.31Å; I1089-H1091 PolarHBondContact O-N 3.34Å; H1091-V1094 PolarHBondContact O-N 3.3Å; H1091-E1095 WeakPolarHBondContact O-CB 3.31Å; H1091-E1095 PolarHBondContact O-N 2.91Å; H1091-Y1125 AromaticContact CE1-CD1 3.84Å; H1091-Y1125 AromaticContact CE1-CD2 3.76Å; H1091-Y1125 AromaticContact CE1-CE1 3.59Å; H1091-Y1125 AromaticContact CE1-CE2 3.52Å; H1091-Y1125 AromaticContact CE1-CG 3.92Å; H1091-Y1125 AromaticContact CE1-CZ 3.44Å; H1091-Y1125 VanDerWaalsContact CE1-CZ 3.44Å; H1091-Y1125 AromaticContact ND1-CD1 3.99Å; H1091-Y1125 AromaticContact ND1-CE1 3.28Å; H1091-Y1125 VanDerWaalsContact ND1-CE1 3.28Å; H1091-Y1125 WeakPolarHBondContact ND1-CE1 3.49Å; H1091-Y1125 AromaticContact ND1-CE2 3.56Å; H1091-Y1125 AromaticContact ND1-CZ 3.03Å; H1091-Y1125 PolarHBondContact ND1-OH 3.16Å; H1091-Y1125 VanDerWaalsContact ND1-OH 3.08Å
1092	F	89.9	Confident	89	Confident	71 Å²	71	45.7 Å²	45.7	31%	0.311	25%	0.249	S	C	.	.	H	α-helix	trans	-64.7	-41.8	179.1	-61.3	-32.3	0	0	0	112.8	K1051 I1058 S1088 I1089 C1090 E1095 A1096	K1051-F1092 HydrophobicContact CB-CE2 4.31Å; I1058-F1092 HydrophobicContact CD1-CB 3.98Å; S1088-F1092 WeakPolarHBondContact O-CD2 3.47Å; S1088-F1092 WeakPolarHBondContact O-CG 3.3Å; S1088-F1092 PolarHBondContact O-N 2.93Å; I1089-F1092 PolarHBondContact O-N 2.88Å; C1090-F1092 PolarHBondContact O-N 3.48Å; F1092-E1095 PolarHBondContact O-N 3.3Å; F1092-A1096 VanDerWaalsContact O-CB 3.26Å; F1092-A1096 WeakPolarHBondContact O-CB 3.49Å; F1092-A1096 PolarHBondContact O-N 3.15Å
1093	L	89.1	Confident	88.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-38.9	177.4	-70.1	168.2	0	0	0	112	L1042 V1046 I1058 A1077 L1078 A1081 I1089 C1090 A1096 G1097 A1098	L1042-L1093 HydrophobicContact CD1-CD2 4.31Å; L1042-L1093 HydrophobicContact CD2-CD2 3.82Å; L1042-L1093 HydrophobicContact CG-CD2 4.31Å; V1046-L1093 HydrophobicContact CG2-CD1 4.24Å; I1058-L1093 HydrophobicContact CD1-CD2 3.97Å; I1058-L1093 HydrophobicContact CD1-CG 4.43Å; I1058-L1093 HydrophobicContact CG1-CD2 4.46Å; A1077-L1093 HydrophobicContact CB-CD1 4.49Å; L1078-L1093 HydrophobicContact CB-CD1 4.21Å; L1078-L1093 HydrophobicContact CD1-CB 4.03Å; L1078-L1093 HydrophobicContact CD1-CD1 4.11Å; A1081-L1093 HydrophobicContact CB-CD1 3.97Å; I1089-L1093 HydrophobicContact CG2-CD1 3.94Å; I1089-L1093 WeakPolarHBondContact O-CG 3.38Å; I1089-L1093 PolarHBondContact O-N 2.75Å; C1090-L1093 PolarHBondContact O-N 3.45Å; L1093-A1096 PolarHBondContact O-N 3.02Å; L1093-G1097 PolarHBondContact O-N 3.4Å; L1093-A1098 HydrophobicContact CB-CB 4.29Å; L1093-A1098 WeakPolarHBondContact O-CB 3.47Å; L1093-A1098 PolarHBondContact O-N 3.46Å
1094	V	90.9	Very high	88.8	Confident	17 Å²	17	48.1 Å²	48.1	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-72.6	-37.3	176.7	173.1	0	0	0	0	111.9	L1078 C1090 H1091 A1096 G1097 L1100 L1126 C1129	L1078-V1094 HydrophobicContact CD1-CG2 4.24Å; L1078-V1094 HydrophobicContact CD2-CG2 3.95Å; C1090-V1094 WeakPolarHBondContact O-CB 3.38Å; C1090-V1094 VanDerWaalsContact O-CG2 3.26Å; C1090-V1094 WeakPolarHBondContact O-CG2 3.34Å; C1090-V1094 PolarHBondContact O-N 3.14Å; H1091-V1094 PolarHBondContact O-N 3.3Å; V1094-A1096 VanDerWaalsContact C-N 3.31Å; V1094-G1097 PolarHBondContact O-N 3.18Å; V1094-G1097 VanDerWaalsContact O-N 3.17Å; V1094-L1100 HydrophobicContact CG1-CD1 4.45Å; V1094-L1100 HydrophobicContact CG2-CD2 3.85Å; V1094-L1126 HydrophobicContact CG2-CD2 3.99Å; V1094-C1129 HydrophobicContact CG1-CB 4.12Å
1095	E	85.9	Confident	88.8	Confident	170 Å²	170	50.4 Å²	50.4	79%	0.794	27%	0.271	S	S	*	.	H	α-helix	trans	-68	-30.5	172.8	-172.2	169	-159.5	0	0	112.1	H1091 F1092 G1097	H1091-E1095 WeakPolarHBondContact O-CB 3.31Å; H1091-E1095 PolarHBondContact O-N 2.91Å; F1092-E1095 PolarHBondContact O-N 3.3Å; E1095-G1097 VanDerWaalsContact C-N 3.25Å; E1095-G1097 PolarHBondContact O-N 2.98Å
1096	A	83.2	Confident	88.5	Confident	34 Å²	34	53.5 Å²	53.5	28%	0.281	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.6	171.6	0	0	0	0	0	114.2	I1058 L1066 F1092 L1093 V1094	I1058-A1096 HydrophobicContact CD1-CB 4.36Å; I1058-A1096 HydrophobicContact CG1-CB 4.4Å; I1058-A1096 HydrophobicContact CG2-CB 3.57Å; L1066-A1096 HydrophobicContact CD1-CB 3.75Å; L1066-A1096 WeakPolarHBondContact CD1-O 3.45Å; L1066-A1096 HydrophobicContact CD2-CB 4.37Å; F1092-A1096 VanDerWaalsContact O-CB 3.26Å; F1092-A1096 WeakPolarHBondContact O-CB 3.49Å; F1092-A1096 PolarHBondContact O-N 3.15Å; L1093-A1096 PolarHBondContact O-N 3.02Å; V1094-A1096 VanDerWaalsContact C-N 3.31Å
1097	G	84.3	Confident	88.4	Confident	51 Å²	51	53.7 Å²	53.7	53%	0.526	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	20.1	177.6	0	0	0	0	0	115.8	L1093 V1094 E1095	L1093-G1097 PolarHBondContact O-N 3.4Å; V1094-G1097 PolarHBondContact O-N 3.18Å; V1094-G1097 VanDerWaalsContact O-N 3.17Å; E1095-G1097 VanDerWaalsContact C-N 3.25Å; E1095-G1097 PolarHBondContact O-N 2.98Å
1098	A	88	Confident	88.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.279	C	S	.	.			trans	-58.4	145.6	171.5	0	0	0	0	0	111.8	L1066 L1078 L1093 L1100	L1066-A1098 HydrophobicContact CB-CB 4.23Å; L1078-A1098 HydrophobicContact CD2-CB 4.15Å; L1093-A1098 HydrophobicContact CB-CB 4.29Å; L1093-A1098 WeakPolarHBondContact O-CB 3.47Å; L1093-A1098 PolarHBondContact O-N 3.46Å; A1098-L1100 PolarHBondContact O-N 2.86Å
1099	S	87.5	Confident	88.5	Confident	22 Å²	22	48 Å²	48	15%	0.154	27%	0.268	C	S	.	.			trans	-74.6	122.7	-174.7	-179.3	0	0	0	0	112.5	D1067 M1101 K1102	D1067-S1099 WeakPolarHBondContact OD1-CB 3.38Å; D1067-S1099 PolarHBondContact OD1-N 3.19Å; D1067-S1099 WeakPolarHBondContact OD2-CB 3.35Å; S1099-M1101 PolarHBondContact O-N 2.94Å; S1099-M1101 PolarHBondContact OG-N 3Å; S1099-K1102 PolarHBondContact OG-N 3.29Å
1100	L	88.8	Confident	88.6	Confident	3 Å²	3	48 Å²	48	2%	0.016	27%	0.268	C	S	.	.	S	Bend	trans	-79.3	-5.9	172.5	-66.9	170.1	0	0	0	113.4	L1078 V1094 A1098 L1126 C1129 Q1130 Q1133	L1078-L1100 HydrophobicContact CD2-CD2 3.92Å; V1094-L1100 HydrophobicContact CG1-CD1 4.45Å; V1094-L1100 HydrophobicContact CG2-CD2 3.85Å; A1098-L1100 PolarHBondContact O-N 2.86Å; L1100-L1126 HydrophobicContact CD2-CB 4.4Å; L1100-L1126 HydrophobicContact CD2-CD2 3.62Å; L1100-C1129 VanDerWaalsContact CD1-C 3.42Å; L1100-C1129 HydrophobicContact CD1-CB 3.53Å; L1100-Q1130 HydrophobicContact CB-CB 4.14Å; L1100-Q1130 HydrophobicContact CB-CG 4.33Å; L1100-Q1130 HydrophobicContact CD1-CB 4.2Å; L1100-Q1130 VanDerWaalsContact CD1-N 3.34Å; L1100-Q1133 HydrophobicContact CD1-CG 4.32Å
1101	M	87	Confident	88.6	Confident	84 Å²	84	50.3 Å²	50.3	41%	0.414	28%	0.278	S	S	.	.	S	Bend	trans	-115	-2.7	-172.7	-61.6	-176.4	73	0	0	114.1	S1099 Q1130 M1134	S1099-M1101 PolarHBondContact O-N 2.94Å; S1099-M1101 PolarHBondContact OG-N 3Å; M1101-Q1130 HydrophobicContact CG-CG 4.29Å; M1101-M1134 HydrophobicContact SD-CG 4.35Å
1102	K	85.9	Confident	88.7	Confident	87 Å²	87	50.3 Å²	50.3	38%	0.378	28%	0.278	S	S	.	.			trans	-68.2	143.5	167.1	-78.8	-165.5	173.2	-163.3	0	109.6	D1067 T1076 H1079 S1099	D1067-K1102 HydrophobicContact CB-CD 4.24Å; D1067-K1102 PolarHBondContact O-NZ 2.9Å; D1067-K1102 WeakPolarHBondContact OD2-CE 3.29Å; D1067-K1102 IonicContact OD2-NZ 2.85Å; T1076-K1102 HydrophobicContact CG2-CD 4.17Å; H1079-K1102 PolarHBondContact CE1-O 2.94Å; H1079-K1102 VanDerWaalsContact CE1-O 3.32Å; H1079-K1102 PolarHBondContact NE2-O 3.15Å; S1099-K1102 PolarHBondContact OG-N 3.29Å
1103	T	90.5	Very high	88.8	Confident	79 Å²	79	48.7 Å²	48.7	49%	0.485	27%	0.27	S	S	.	.			trans	-111.7	153	171.7	55.4	0	0	0	0	110.7	D1108 T1109	T1103-D1108 CarbonylContact C-O 3.59Å; T1103-D1108 WeakPolarHBondContact CA-O 3.32Å; T1103-T1109 HydrophobicContact CG2-CG2 3.9Å
1104	D	90.4	Very high	88.9	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.043	27%	0.27	C	S	.	.			trans	-77.5	-174.9	167	65.1	19.6	0	0	0	112.7	E1075 Q1106 G1107 D1108 R1113	E1075-D1104 HydrophobicContact CG-CB 4.24Å; D1104-Q1106 PolarHBondContact O-N 3.36Å; D1104-Q1106 VanDerWaalsContact OD1-CA 3.31Å; D1104-Q1106 WeakPolarHBondContact OD1-CA 2.82Å; D1104-Q1106 WeakPolarHBondContact OD1-CB 3.47Å; D1104-Q1106 PolarHBondContact OD1-N 3.41Å; D1104-Q1106 PolarHBondContact OD2-OE1 2.96Å; D1104-G1107 PolarHBondContact O-N 3.01Å; D1104-G1107 VanDerWaalsContact O-N 3.13Å; D1104-G1107 PolarHBondContact OD1-N 3.06Å; D1104-D1108 PolarHBondContact N-O 2.97Å; D1104-D1108 PolarHBondContact OD1-N 2.77Å; D1104-D1108 WeakPolarHBondContact OD2-CB 3.44Å; D1104-R1113 IonicContact OD2-CZ 2.77Å; D1104-R1113 IonicContact OD2-NE 3.02Å; D1104-R1113 PolarHBondContact OD2-NE 3.14Å; D1104-R1113 IonicContact OD2-NH2 2.7Å; D1104-R1113 PolarHBondContact OD2-NH2 3.35Å
1105	L	89.8	Confident	88.8	Confident	122 Å²	122	50 Å²	50	64%	0.639	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-7.2	177.6	-65.4	175.9	0	0	0	113.8	T1073	T1073-L1105 VanDerWaalsContact O-CB 3.27Å; T1073-L1105 WeakPolarHBondContact O-CB 3.49Å; T1073-L1105 WeakPolarHBondContact O-CG 3.49Å; T1073-L1105 PolarHBondContact O-N 2.86Å
1106	Q	86.1	Confident	89	Confident	112 Å²	112	48.8 Å²	48.8	52%	0.523	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-3.6	174.2	-63.5	75.6	57.7	0	0	112.2	D1104 D1108	D1104-Q1106 PolarHBondContact O-N 3.36Å; D1104-Q1106 VanDerWaalsContact OD1-CA 3.31Å; D1104-Q1106 WeakPolarHBondContact OD1-CA 2.82Å; D1104-Q1106 WeakPolarHBondContact OD1-CB 3.47Å; D1104-Q1106 PolarHBondContact OD1-N 3.41Å; D1104-Q1106 PolarHBondContact OD2-OE1 2.96Å; Q1106-D1108 VanDerWaalsContact C-N 3.29Å
1107	G	86.6	Confident	89.2	Confident	42 Å²	42	48.8 Å²	48.8	43%	0.433	27%	0.274	S	S	.	.	S	Bend	trans	79.4	8.6	-175	0	0	0	0	0	113.9	D1104	D1104-G1107 PolarHBondContact O-N 3.01Å; D1104-G1107 VanDerWaalsContact O-N 3.13Å; D1104-G1107 PolarHBondContact OD1-N 3.06Å
1108	D	90.1	Very high	89.5	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.08	29%	0.288	C	S	.	.			trans	-77.4	139.7	173.8	-75.7	-39.5	0	0	0	110.5	H1079 T1103 D1104 Q1106 H1112 R1113 K1116	H1079-D1108 PolarHBondContact NE2-O 2.7Å; T1103-D1108 CarbonylContact C-O 3.59Å; T1103-D1108 WeakPolarHBondContact CA-O 3.32Å; D1104-D1108 PolarHBondContact N-O 2.97Å; D1104-D1108 PolarHBondContact OD1-N 2.77Å; D1104-D1108 WeakPolarHBondContact OD2-CB 3.44Å; Q1106-D1108 VanDerWaalsContact C-N 3.29Å; D1108-H1112 HydrophobicContact CB-CB 3.84Å; D1108-H1112 WeakPolarHBondContact OD1-CB 3.4Å; D1108-H1112 IonicContact OD1-CG 3.96Å; D1108-H1112 IonicContact OD1-ND1 2.63Å; D1108-R1113 HydrophobicContact CB-CG 4.09Å; D1108-R1113 IonicContact OD2-NE 3.45Å; D1108-R1113 PolarHBondContact OD2-NE 3.03Å; D1108-K1116 WeakPolarHBondContact OD1-CE 3.46Å; D1108-K1116 IonicContact OD1-NZ 3.02Å; D1108-K1116 PolarHBondContact OD1-NZ 3.02Å; D1108-K1116 IonicContact OD2-NZ 3.29Å; D1108-K1116 PolarHBondContact OD2-NZ 2.72Å
1109	T	92	Very high	89.5	Confident	14 Å²	14	54.2 Å²	54.2	9%	0.086	29%	0.291	C	S	.	.			trans	-89	171	165.2	60.6	0	0	0	0	110.2	T1103 K1111 H1112 R1113	T1103-T1109 HydrophobicContact CG2-CG2 3.9Å; T1109-K1111 PolarHBondContact O-N 2.67Å; T1109-K1111 VanDerWaalsContact O-N 3.17Å; T1109-H1112 PolarHBondContact N-ND1 3.18Å; T1109-H1112 PolarHBondContact O-N 2.83Å; T1109-H1112 PolarHBondContact OG1-CD2 3.02Å; T1109-H1112 VanDerWaalsContact OG1-CD2 3.32Å; T1109-H1112 PolarHBondContact OG1-N 3.24Å; T1109-R1113 PolarHBondContact O-N 3.13Å
1110	P	92.3	Very high	89.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-30.3	172.4	-24.2	34.9	0	0	0	113	L1078 H1079 A1082 R1113 A1114 L1126	L1078-P1110 HydrophobicContact CB-CG 4.45Å; L1078-P1110 HydrophobicContact CD2-CB 4.32Å; L1078-P1110 HydrophobicContact CD2-CG 4.13Å; L1078-P1110 HydrophobicContact CG-CB 3.92Å; L1078-P1110 HydrophobicContact CG-CG 4.01Å; H1079-P1110 WeakPolarHBondContact NE2-CD 3.5Å; A1082-P1110 HydrophobicContact CB-CB 4.35Å; A1082-P1110 VanDerWaalsContact CB-O 3.29Å; A1082-P1110 WeakPolarHBondContact CB-O 3.29Å; P1110-R1113 PolarHBondContact O-N 2.8Å; P1110-A1114 PolarHBondContact O-N 3.29Å; P1110-L1126 HydrophobicContact CB-CD1 4.23Å
1111	K	92.6	Very high	89.4	Confident	48 Å²	48	64.4 Å²	64.4	21%	0.209	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-46.8	171.1	-177.2	-162	174.5	-173	0	111	T1109 A1114 A1115 A1123 L1126 E1127	T1109-K1111 PolarHBondContact O-N 2.67Å; T1109-K1111 VanDerWaalsContact O-N 3.17Å; K1111-A1114 PolarHBondContact O-N 3.22Å; K1111-A1115 PolarHBondContact O-N 3.42Å; K1111-A1123 HydrophobicContact CG-CB 4.37Å; K1111-L1126 HydrophobicContact CB-CB 4.41Å; K1111-E1127 HydrophobicContact CD-CB 4Å; K1111-E1127 VanDerWaalsContact CE-CD 3.48Å; K1111-E1127 WeakPolarHBondContact CE-OE2 3.14Å; K1111-E1127 IonicContact NZ-OE1 3.06Å; K1111-E1127 PolarHBondContact NZ-OE1 2.96Å; K1111-E1127 IonicContact NZ-OE2 2.75Å; K1111-E1127 PolarHBondContact NZ-OE2 3.44Å
1112	H	91.8	Very high	89.5	Confident	78 Å²	78	60.6 Å²	60.6	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-37.9	-179.2	-57.6	169.8	0	0	0	111.3	D1108 T1109 A1115 K1116	D1108-H1112 HydrophobicContact CB-CB 3.84Å; D1108-H1112 WeakPolarHBondContact OD1-CB 3.4Å; D1108-H1112 IonicContact OD1-CG 3.96Å; D1108-H1112 IonicContact OD1-ND1 2.63Å; T1109-H1112 PolarHBondContact N-ND1 3.18Å; T1109-H1112 PolarHBondContact O-N 2.83Å; T1109-H1112 PolarHBondContact OG1-CD2 3.02Å; T1109-H1112 VanDerWaalsContact OG1-CD2 3.32Å; T1109-H1112 PolarHBondContact OG1-N 3.24Å; H1112-A1115 PolarHBondContact O-N 3.19Å; H1112-K1116 WeakPolarHBondContact O-CB 3.3Å; H1112-K1116 WeakPolarHBondContact O-CG 3.32Å; H1112-K1116 PolarHBondContact O-N 3.24Å
1113	R	91	Very high	89.6	Confident	36 Å²	36	56.5 Å²	56.5	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-39.8	173.5	-66.4	-50.8	-160.6	96.6	3	113.2	E1075 A1082 A1083 D1104 D1108 T1109 P1110 A1115 K1116 A1117	E1075-R1113 IonicContact OE1-CZ 3.33Å; E1075-R1113 IonicContact OE1-NH1 3.97Å; E1075-R1113 PolarHBondContact OE1-NH1 3.36Å; E1075-R1113 IonicContact OE1-NH2 2.67Å; E1075-R1113 PolarHBondContact OE1-NH2 3.03Å; A1082-R1113 HydrophobicContact CB-CB 4.32Å; A1083-R1113 HydrophobicContact CB-CB 4.41Å; D1104-R1113 IonicContact OD2-CZ 2.77Å; D1104-R1113 IonicContact OD2-NE 3.02Å; D1104-R1113 PolarHBondContact OD2-NE 3.14Å; D1104-R1113 IonicContact OD2-NH2 2.7Å; D1104-R1113 PolarHBondContact OD2-NH2 3.35Å; D1108-R1113 HydrophobicContact CB-CG 4.09Å; D1108-R1113 IonicContact OD2-NE 3.45Å; D1108-R1113 PolarHBondContact OD2-NE 3.03Å; T1109-R1113 PolarHBondContact O-N 3.13Å; P1110-R1113 PolarHBondContact O-N 2.8Å; R1113-A1115 VanDerWaalsContact C-N 3.35Å; R1113-A1115 PolarHBondContact O-N 2.92Å; R1113-K1116 PolarHBondContact O-N 3.3Å; R1113-A1117 WeakPolarHBondContact O-CB 3.43Å; R1113-A1117 PolarHBondContact O-N 3.12Å; R1113-A1117 VanDerWaalsContact O-N 3.08Å
1114	A	91.5	Very high	89.5	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-40.8	172.3	0	0	0	0	0	112.3	A1082 P1110 K1111 A1117 D1118 D1119 L1122 A1123 L1126	A1082-A1114 HydrophobicContact CB-CB 4.09Å; P1110-A1114 PolarHBondContact O-N 3.29Å; K1111-A1114 PolarHBondContact O-N 3.22Å; A1114-A1117 CarbonylContact O-C 3.34Å; A1114-A1117 PolarHBondContact O-N 3.09Å; A1114-D1118 PolarHBondContact O-N 3.48Å; A1114-D1119 PolarHBondContact O-N 3.29Å; A1114-D1119 VanDerWaalsContact O-N 3.14Å; A1114-L1122 HydrophobicContact CB-CB 4.34Å; A1114-L1122 HydrophobicContact CB-CD2 4.21Å; A1114-L1122 HydrophobicContact CB-CG 4.01Å; A1114-A1123 HydrophobicContact CB-CB 4.05Å; A1114-L1126 HydrophobicContact CB-CD1 4.06Å
1115	A	89.1	Confident	89.5	Confident	45 Å²	45	58.8 Å²	58.8	37%	0.372	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-39.4	176.9	0	0	0	0	0	112.6	K1111 H1112 R1113 A1117 D1118 A1123	K1111-A1115 PolarHBondContact O-N 3.42Å; H1112-A1115 PolarHBondContact O-N 3.19Å; R1113-A1115 VanDerWaalsContact C-N 3.35Å; R1113-A1115 PolarHBondContact O-N 2.92Å; A1115-A1117 PolarHBondContact O-N 3.17Å; A1115-D1118 PolarHBondContact O-N 3.09Å; A1115-D1118 VanDerWaalsContact O-N 3.14Å; A1115-A1123 HydrophobicContact CB-CB 4.19Å
1116	K	90	Very high	89.4	Confident	145 Å²	145	53 Å²	53	63%	0.63	27%	0.274	S	S	*	.	H	α-helix	trans	-67.4	-18.9	173.7	-74.6	175.6	176.2	177	0	113.3	D1108 H1112 R1113	D1108-K1116 WeakPolarHBondContact OD1-CE 3.46Å; D1108-K1116 IonicContact OD1-NZ 3.02Å; D1108-K1116 PolarHBondContact OD1-NZ 3.02Å; D1108-K1116 IonicContact OD2-NZ 3.29Å; D1108-K1116 PolarHBondContact OD2-NZ 2.72Å; H1112-K1116 WeakPolarHBondContact O-CB 3.3Å; H1112-K1116 WeakPolarHBondContact O-CG 3.32Å; H1112-K1116 PolarHBondContact O-N 3.24Å; R1113-K1116 PolarHBondContact O-N 3.3Å
1117	A	88.5	Confident	89.3	Confident	33 Å²	33	51.6 Å²	51.6	27%	0.273	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	12.9	173.3	0	0	0	0	0	113.7	C1085 R1113 A1114 A1115 D1119	C1085-A1117 VanDerWaalsContact SG-CB 3.53Å; C1085-A1117 PolarHBondContact SG-O 3.01Å; R1113-A1117 WeakPolarHBondContact O-CB 3.43Å; R1113-A1117 PolarHBondContact O-N 3.12Å; R1113-A1117 VanDerWaalsContact O-N 3.08Å; A1114-A1117 CarbonylContact O-C 3.34Å; A1114-A1117 PolarHBondContact O-N 3.09Å; A1115-A1117 PolarHBondContact O-N 3.17Å; A1117-D1119 PolarHBondContact O-N 2.99Å; A1117-D1119 VanDerWaalsContact O-N 3.14Å
1118	D	89.2	Confident	89.2	Confident	152 Å²	152	53.9 Å²	53.9	81%	0.813	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	10.5	178.1	-152	31.8	0	0	0	115.7	A1114 A1115 Q1120	A1114-D1118 PolarHBondContact O-N 3.48Å; A1115-D1118 PolarHBondContact O-N 3.09Å; A1115-D1118 VanDerWaalsContact O-N 3.14Å; D1118-Q1120 PolarHBondContact O-N 3.35Å; D1118-Q1120 VanDerWaalsContact O-N 3.15Å
1119	D	88.8	Confident	88.9	Confident	13 Å²	13	54.4 Å²	54.4	7%	0.07	28%	0.275	C	S	.	.			trans	-89.3	72.2	172.7	-165.2	-11.8	0	0	0	111.4	C1085 R1087 A1114 A1117 E1121 L1122 A1123	C1085-D1119 HydrophobicContact CB-CB 4.24Å; R1087-D1119 WeakPolarHBondContact CG-OD2 3.46Å; R1087-D1119 IonicContact CZ-OD1 3.94Å; R1087-D1119 IonicContact CZ-OD2 3.15Å; R1087-D1119 IonicContact NE-OD1 3.85Å; R1087-D1119 PolarHBondContact NE-OD1 2.99Å; R1087-D1119 IonicContact NE-OD2 3.97Å; R1087-D1119 PolarHBondContact NE-OD2 3.1Å; R1087-D1119 IonicContact NH2-OD1 2.67Å; R1087-D1119 PolarHBondContact NH2-OD1 2.79Å; R1087-D1119 IonicContact NH2-OD2 2.7Å; R1087-D1119 PolarHBondContact NH2-OD2 3.08Å; A1114-D1119 PolarHBondContact O-N 3.29Å; A1114-D1119 VanDerWaalsContact O-N 3.14Å; A1117-D1119 PolarHBondContact O-N 2.99Å; A1117-D1119 VanDerWaalsContact O-N 3.14Å; D1119-E1121 PolarHBondContact O-N 2.92Å; D1119-E1121 PolarHBondContact OD1-N 3.17Å; D1119-L1122 HydrophobicContact CB-CB 3.95Å; D1119-L1122 PolarHBondContact O-N 3.36Å; D1119-L1122 VanDerWaalsContact O-N 3.15Å; D1119-L1122 PolarHBondContact OD1-N 3.08Å; D1119-L1122 WeakPolarHBondContact OD2-CB 3.43Å; D1119-A1123 PolarHBondContact O-N 2.7Å
1120	Q	87.5	Confident	88.3	Confident	110 Å²	110	55.7 Å²	55.7	51%	0.514	28%	0.28	S	S	.	.	H	α-helix	trans	-58.1	-28	177.7	-171.8	63.3	65.2	0	0	113	D1118 N1124	D1118-Q1120 PolarHBondContact O-N 3.35Å; D1118-Q1120 VanDerWaalsContact O-N 3.15Å; Q1120-N1124 PolarHBondContact NE2-OD1 3.02Å; Q1120-N1124 VanDerWaalsContact O-CB 3.31Å; Q1120-N1124 WeakPolarHBondContact O-CB 3.49Å; Q1120-N1124 PolarHBondContact O-N 3.15Å; Q1120-N1124 PolarHBondContact O-ND2 3Å; Q1120-N1124 PolarHBondContact O-OD1 3.29Å
1121	E	86.9	Confident	87.4	Confident	129 Å²	129	61.2 Å²	61.2	60%	0.603	31%	0.305	S	S	*	.	H	α-helix	trans	-72.5	-39.9	178.4	-162.4	176.4	-168.2	0	0	111.1	R1087 D1119 Y1125	R1087-E1121 IonicContact CZ-OE2 2.72Å; R1087-E1121 IonicContact NH1-OE2 3.18Å; R1087-E1121 PolarHBondContact NH1-OE2 2.91Å; R1087-E1121 IonicContact NH2-OE2 3.15Å; R1087-E1121 PolarHBondContact NH2-OE2 3.09Å; D1119-E1121 PolarHBondContact O-N 2.92Å; D1119-E1121 PolarHBondContact OD1-N 3.17Å; E1121-Y1125 PolarHBondContact O-N 3.28Å
1122	L	88.4	Confident	86.2	Confident	5 Å²	5	66 Å²	66	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-68.5	-41.1	171.6	-179.3	57	0	0	0	112.1	R1087 C1090 A1114 D1119 N1124 Y1125 L1126	R1087-L1122 HydrophobicContact CG-CB 4.32Å; R1087-L1122 HydrophobicContact CG-CD1 4.36Å; R1087-L1122 HydrophobicContact CG-CD2 4.26Å; C1090-L1122 HydrophobicContact CB-CD1 3.82Å; A1114-L1122 HydrophobicContact CB-CB 4.34Å; A1114-L1122 HydrophobicContact CB-CD2 4.21Å; A1114-L1122 HydrophobicContact CB-CG 4.01Å; D1119-L1122 HydrophobicContact CB-CB 3.95Å; D1119-L1122 PolarHBondContact O-N 3.36Å; D1119-L1122 VanDerWaalsContact O-N 3.15Å; D1119-L1122 PolarHBondContact OD1-N 3.08Å; D1119-L1122 WeakPolarHBondContact OD2-CB 3.43Å; L1122-N1124 VanDerWaalsContact C-N 3.34Å; L1122-N1124 PolarHBondContact O-N 2.72Å; L1122-Y1125 HydrophobicContact CD1-CD1 4.17Å; L1122-Y1125 WeakPolarHBondContact O-CB 3.31Å; L1122-Y1125 PolarHBondContact O-N 3.25Å; L1122-L1126 HydrophobicContact CD1-CD1 4.31Å; L1122-L1126 HydrophobicContact CD1-CG 4.27Å; L1122-L1126 HydrophobicContact CG-CD1 4.19Å; L1122-L1126 WeakPolarHBondContact O-CG 3.5Å; L1122-L1126 PolarHBondContact O-N 3.24Å
1123	A	89.1	Confident	84.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-44.7	174.4	0	0	0	0	0	111.4	K1111 A1114 A1115 D1119 Y1125 L1126 E1127	K1111-A1123 HydrophobicContact CG-CB 4.37Å; A1114-A1123 HydrophobicContact CB-CB 4.05Å; A1115-A1123 HydrophobicContact CB-CB 4.19Å; D1119-A1123 PolarHBondContact O-N 2.7Å; A1123-Y1125 VanDerWaalsContact C-N 3.34Å; A1123-Y1125 PolarHBondContact O-N 3.08Å; A1123-L1126 PolarHBondContact O-N 3.27Å; A1123-E1127 WeakPolarHBondContact O-CB 3.46Å; A1123-E1127 PolarHBondContact O-N 3.4Å
1124	N	88	Confident	83.1	Confident	70 Å²	70	66.2 Å²	66.2	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-63	-37.8	174.7	-69	-8.6	0	0	0	112.2	Q1120 L1122 N1128	Q1120-N1124 PolarHBondContact NE2-OD1 3.02Å; Q1120-N1124 VanDerWaalsContact O-CB 3.31Å; Q1120-N1124 WeakPolarHBondContact O-CB 3.49Å; Q1120-N1124 PolarHBondContact O-N 3.15Å; Q1120-N1124 PolarHBondContact O-ND2 3Å; Q1120-N1124 PolarHBondContact O-OD1 3.29Å; L1122-N1124 VanDerWaalsContact C-N 3.34Å; L1122-N1124 PolarHBondContact O-N 2.72Å; N1124-N1128 PolarHBondContact O-N 3.12Å; N1124-N1128 PolarHBondContact O-ND2 3Å
1125	Y	89.7	Confident	81.3	Confident	65 Å²	65	69 Å²	69	26%	0.255	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-49.3	174.9	167.2	-103.9	0	0	0	111.8	H1091 E1121 L1122 A1123 E1127 N1128 C1129	H1091-Y1125 AromaticContact CE1-CD1 3.84Å; H1091-Y1125 AromaticContact CE1-CD2 3.76Å; H1091-Y1125 AromaticContact CE1-CE1 3.59Å; H1091-Y1125 AromaticContact CE1-CE2 3.52Å; H1091-Y1125 AromaticContact CE1-CG 3.92Å; H1091-Y1125 AromaticContact CE1-CZ 3.44Å; H1091-Y1125 VanDerWaalsContact CE1-CZ 3.44Å; H1091-Y1125 AromaticContact ND1-CD1 3.99Å; H1091-Y1125 AromaticContact ND1-CE1 3.28Å; H1091-Y1125 VanDerWaalsContact ND1-CE1 3.28Å; H1091-Y1125 WeakPolarHBondContact ND1-CE1 3.49Å; H1091-Y1125 AromaticContact ND1-CE2 3.56Å; H1091-Y1125 AromaticContact ND1-CZ 3.03Å; H1091-Y1125 PolarHBondContact ND1-OH 3.16Å; H1091-Y1125 VanDerWaalsContact ND1-OH 3.08Å; E1121-Y1125 PolarHBondContact O-N 3.28Å; L1122-Y1125 HydrophobicContact CD1-CD1 4.17Å; L1122-Y1125 WeakPolarHBondContact O-CB 3.31Å; L1122-Y1125 PolarHBondContact O-N 3.25Å; A1123-Y1125 VanDerWaalsContact C-N 3.34Å; A1123-Y1125 PolarHBondContact O-N 3.08Å; Y1125-E1127 VanDerWaalsContact C-N 3.32Å; Y1125-E1127 PolarHBondContact O-N 2.94Å; Y1125-N1128 PolarHBondContact O-N 2.65Å; Y1125-C1129 WeakPolarHBondContact CE2-SG 3.14Å; Y1125-C1129 PolarHBondContact O-N 3.47Å
1126	L	87.3	Confident	79.2	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-40.1	179.8	-67.1	170.2	0	0	0	111.4	L1078 A1082 V1094 L1100 P1110 K1111 A1114 L1122 A1123 C1129 Q1130	L1078-L1126 HydrophobicContact CD1-CD2 4.48Å; A1082-L1126 HydrophobicContact CB-CD1 4.31Å; V1094-L1126 HydrophobicContact CG2-CD2 3.99Å; L1100-L1126 HydrophobicContact CD2-CB 4.4Å; L1100-L1126 HydrophobicContact CD2-CD2 3.62Å; P1110-L1126 HydrophobicContact CB-CD1 4.23Å; K1111-L1126 HydrophobicContact CB-CB 4.41Å; A1114-L1126 HydrophobicContact CB-CD1 4.06Å; L1122-L1126 HydrophobicContact CD1-CD1 4.31Å; L1122-L1126 HydrophobicContact CD1-CG 4.27Å; L1122-L1126 HydrophobicContact CG-CD1 4.19Å; L1122-L1126 WeakPolarHBondContact O-CG 3.5Å; L1122-L1126 PolarHBondContact O-N 3.24Å; A1123-L1126 PolarHBondContact O-N 3.27Å; L1126-C1129 PolarHBondContact O-N 3.5Å; L1126-Q1130 WeakPolarHBondContact O-CB 3.3Å; L1126-Q1130 PolarHBondContact O-N 2.96Å
1127	E	85.3	Confident	77.1	Confident	82 Å²	82	71.6 Å²	71.6	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-46.2	173.2	173.1	153.7	-126	0	0	113.2	K1111 A1123 Y1125 C1129 Q1130 H1131	K1111-E1127 HydrophobicContact CD-CB 4Å; K1111-E1127 VanDerWaalsContact CE-CD 3.48Å; K1111-E1127 WeakPolarHBondContact CE-OE2 3.14Å; K1111-E1127 IonicContact NZ-OE1 3.06Å; K1111-E1127 PolarHBondContact NZ-OE1 2.96Å; K1111-E1127 IonicContact NZ-OE2 2.75Å; K1111-E1127 PolarHBondContact NZ-OE2 3.44Å; A1123-E1127 WeakPolarHBondContact O-CB 3.46Å; A1123-E1127 PolarHBondContact O-N 3.4Å; Y1125-E1127 VanDerWaalsContact C-N 3.32Å; Y1125-E1127 PolarHBondContact O-N 2.94Å; E1127-C1129 VanDerWaalsContact C-N 3.33Å; E1127-C1129 PolarHBondContact O-N 2.81Å; E1127-Q1130 PolarHBondContact O-N 3.47Å; E1127-H1131 PolarHBondContact O-N 3.47Å
1128	N	85.1	Confident	74.7	Confident	91 Å²	91	74.7 Å²	74.7	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-43.1	176.2	-83.5	-83.9	0	0	0	111.1	N1124 Y1125 H1131 Y1132	N1124-N1128 PolarHBondContact O-N 3.12Å; N1124-N1128 PolarHBondContact O-ND2 3Å; Y1125-N1128 PolarHBondContact O-N 2.65Å; N1128-H1131 PolarHBondContact O-N 3.08Å; N1128-Y1132 WeakPolarHBondContact O-CD2 3.34Å; N1128-Y1132 PolarHBondContact O-N 3.18Å
1129	C	82.5	Confident	72.1	Confident	26 Å²	26	72.5 Å²	72.5	18%	0.176	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-35.8	175.8	-76.1	0	0	0	0	112.8	V1094 L1100 Y1125 L1126 E1127 Y1132 Q1133	V1094-C1129 HydrophobicContact CG1-CB 4.12Å; L1100-C1129 VanDerWaalsContact CD1-C 3.42Å; L1100-C1129 HydrophobicContact CD1-CB 3.53Å; Y1125-C1129 WeakPolarHBondContact CE2-SG 3.14Å; Y1125-C1129 PolarHBondContact O-N 3.47Å; L1126-C1129 PolarHBondContact O-N 3.5Å; E1127-C1129 VanDerWaalsContact C-N 3.33Å; E1127-C1129 PolarHBondContact O-N 2.81Å; C1129-Y1132 PolarHBondContact O-N 3.21Å; C1129-Q1133 WeakPolarHBondContact O-CG 3.48Å; C1129-Q1133 PolarHBondContact O-N 3.04Å
1130	Q	79.6	Confident	69.6	Low	41 Å²	41	78.5 Å²	78.5	19%	0.192	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-44.8	175.3	-175.6	-178	-0.9	0	0	110.4	L1100 M1101 L1126 E1127 Y1132 Q1133 M1134	L1100-Q1130 HydrophobicContact CB-CB 4.14Å; L1100-Q1130 HydrophobicContact CB-CG 4.33Å; L1100-Q1130 HydrophobicContact CD1-CB 4.2Å; L1100-Q1130 VanDerWaalsContact CD1-N 3.34Å; M1101-Q1130 HydrophobicContact CG-CG 4.29Å; L1126-Q1130 WeakPolarHBondContact O-CB 3.3Å; L1126-Q1130 PolarHBondContact O-N 2.96Å; E1127-Q1130 PolarHBondContact O-N 3.47Å; Q1130-Y1132 PolarHBondContact O-N 3.26Å; Q1130-Q1133 PolarHBondContact O-N 3.33Å; Q1130-M1134 WeakPolarHBondContact O-CG 3.37Å; Q1130-M1134 PolarHBondContact O-N 3.39Å
1131	H	73.4	Confident	67	Low	116 Å²	116	79.7 Å²	79.7	54%	0.537	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-42.2	175.1	-171.1	53.4	0	0	0	112.1	E1127 N1128 M1134 I1135	E1127-H1131 PolarHBondContact O-N 3.47Å; N1128-H1131 PolarHBondContact O-N 3.08Å; H1131-M1134 PolarHBondContact O-N 3.11Å; H1131-I1135 VanDerWaalsContact O-CG1 3.29Å; H1131-I1135 WeakPolarHBondContact O-CG1 3.35Å; H1131-I1135 PolarHBondContact O-N 2.8Å
1132	Y	66.6	Low	64.4	Low	149 Å²	149	78.9 Å²	78.9	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-66.6	-36	173.8	-81.1	-66.9	0	0	0	113.7	N1128 C1129 Q1130 Q1136	N1128-Y1132 WeakPolarHBondContact O-CD2 3.34Å; N1128-Y1132 PolarHBondContact O-N 3.18Å; C1129-Y1132 PolarHBondContact O-N 3.21Å; Q1130-Y1132 PolarHBondContact O-N 3.26Å; Y1132-Q1136 WeakPolarHBondContact O-CG 3.28Å; Y1132-Q1136 PolarHBondContact O-N 3.35Å
1133	Q	61.5	Low	61.6	Low	46 Å²	46	82.3 Å²	82.3	22%	0.215	41%	0.406	C	S	.	.	H	α-helix	trans	-67.9	-39	174.1	-78	-172.6	-3	0	0	111.8	L1100 C1129 Q1130 Q1136 R1137	L1100-Q1133 HydrophobicContact CD1-CG 4.32Å; C1129-Q1133 WeakPolarHBondContact O-CG 3.48Å; C1129-Q1133 PolarHBondContact O-N 3.04Å; Q1130-Q1133 PolarHBondContact O-N 3.33Å; Q1133-Q1136 PolarHBondContact O-N 2.98Å; Q1133-R1137 PolarHBondContact O-N 3.35Å; Q1133-R1137 VanDerWaalsContact O-N 3.07Å
1134	M	57.7	Low	58.7	Low	71 Å²	71	89 Å²	89	35%	0.35	45%	0.446	S	S	.	.	H	α-helix	trans	-61.7	-49.9	172.9	-72.6	-179.8	67.7	0	0	111	M1101 Q1130 H1131 Q1136 R1137 E1138	M1101-M1134 HydrophobicContact SD-CG 4.35Å; Q1130-M1134 WeakPolarHBondContact O-CG 3.37Å; Q1130-M1134 PolarHBondContact O-N 3.39Å; H1131-M1134 PolarHBondContact O-N 3.11Å; M1134-Q1136 VanDerWaalsContact C-N 3.27Å; M1134-Q1136 PolarHBondContact O-N 3Å; M1134-R1137 PolarHBondContact O-N 2.87Å; M1134-E1138 WeakPolarHBondContact O-CB 3.36Å; M1134-E1138 WeakPolarHBondContact O-CG 3.42Å; M1134-E1138 PolarHBondContact O-N 3.14Å
1135	I	52.7	Low	57.3	Low	58 Å²	58	89.9 Å²	89.9	30%	0.297	45%	0.45	S	S	.	.	H	α-helix	trans	-55.4	-42.3	176.3	-68.9	163.1	0	0	0	111.3	H1131 R1137 D1139	H1131-I1135 VanDerWaalsContact O-CG1 3.29Å; H1131-I1135 WeakPolarHBondContact O-CG1 3.35Å; H1131-I1135 PolarHBondContact O-N 2.8Å; I1135-R1137 VanDerWaalsContact C-N 3.32Å; I1135-R1137 PolarHBondContact O-N 3.01Å; I1135-D1139 VanDerWaalsContact O-CB 3.23Å; I1135-D1139 WeakPolarHBondContact O-CB 3.41Å; I1135-D1139 PolarHBondContact O-N 2.96Å
1136	Q	45.1	Very low	55.5	Low	124 Å²	124	91.2 Å²	91.2	58%	0.579	46%	0.46	S	S	*	.	H	α-helix	trans	-72.4	-20.6	178.7	-74.3	-174.1	14.9	0	0	114.7	Y1132 Q1133 M1134 Q1140	Y1132-Q1136 WeakPolarHBondContact O-CG 3.28Å; Y1132-Q1136 PolarHBondContact O-N 3.35Å; Q1133-Q1136 PolarHBondContact O-N 2.98Å; M1134-Q1136 VanDerWaalsContact C-N 3.27Å; M1134-Q1136 PolarHBondContact O-N 3Å; Q1136-Q1140 WeakPolarHBondContact O-CG 3.5Å; Q1136-Q1140 PolarHBondContact O-NE2 3.4Å
1137	R	45.4	Very low	53.8	Low	121 Å²	121	96.2 Å²	96.2	46%	0.457	49%	0.485	S	S	.	.	H	α-helix	trans	-86	-41.8	174.5	-160.8	177.8	-64.7	169.4	2	110.7	Q1133 M1134 I1135 D1139 Q1140 E1141	Q1133-R1137 PolarHBondContact O-N 3.35Å; Q1133-R1137 VanDerWaalsContact O-N 3.07Å; M1134-R1137 PolarHBondContact O-N 2.87Å; I1135-R1137 VanDerWaalsContact C-N 3.32Å; I1135-R1137 PolarHBondContact O-N 3.01Å; R1137-D1139 PolarHBondContact O-N 3.28Å; R1137-Q1140 WeakPolarHBondContact O-CA 3.39Å; R1137-Q1140 WeakPolarHBondContact O-CB 3.44Å; R1137-Q1140 PolarHBondContact O-N 3.42Å; R1137-E1141 WeakPolarHBondContact O-CG 3.45Å; R1137-E1141 PolarHBondContact O-N 2.79Å
1138	E	39.3	Very low	51.9	Low	99 Å²	99	97.1 Å²	97.1	46%	0.463	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-39.7	169.9	-69.8	176.1	-172.6	0	0	112	M1134 Q1140 E1141 T1142	M1134-E1138 WeakPolarHBondContact O-CB 3.36Å; M1134-E1138 WeakPolarHBondContact O-CG 3.42Å; M1134-E1138 PolarHBondContact O-N 3.14Å; E1138-Q1140 PolarHBondContact O-N 3.49Å; E1138-E1141 PolarHBondContact O-N 2.81Å; E1138-T1142 WeakPolarHBondContact O-CB 3.26Å; E1138-T1142 WeakPolarHBondContact O-CG2 3.47Å; E1138-T1142 PolarHBondContact O-N 3.29Å; E1138-T1142 PolarHBondContact O-OG1 3.19Å
1139	D	33.7	Very low	49.9	Very low	106 Å²	106	97.4 Å²	97.4	57%	0.567	49%	0.491	S	S	*	.	H	α-helix	trans	-65.7	-11.9	172.3	-89.8	-21.6	0	0	0	113	I1135 R1137 A1143	I1135-D1139 VanDerWaalsContact O-CB 3.23Å; I1135-D1139 WeakPolarHBondContact O-CB 3.41Å; I1135-D1139 PolarHBondContact O-N 2.96Å; R1137-D1139 PolarHBondContact O-N 3.28Å; D1139-A1143 WeakPolarHBondContact O-CB 3.36Å
1140	Q	36.5	Very low	47.7	Very low	138 Å²	138	102.2 Å²	102.2	65%	0.645	51%	0.512	S	S	*	.	H	α-helix	trans	-98.8	-44.3	172.5	-72.7	172.1	50.6	0	0	111.4	Q1136 R1137 E1138 T1142 A1143	Q1136-Q1140 WeakPolarHBondContact O-CG 3.5Å; Q1136-Q1140 PolarHBondContact O-NE2 3.4Å; R1137-Q1140 WeakPolarHBondContact O-CA 3.39Å; R1137-Q1140 WeakPolarHBondContact O-CB 3.44Å; R1137-Q1140 PolarHBondContact O-N 3.42Å; E1138-Q1140 PolarHBondContact O-N 3.49Å; Q1140-T1142 PolarHBondContact O-N 2.8Å; Q1140-A1143 PolarHBondContact O-N 2.73Å; Q1140-A1143 VanDerWaalsContact O-N 3.16Å
1141	E	33.5	Very low	45.4	Very low	135 Å²	135	106.6 Å²	106.6	63%	0.631	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-25.4	175.4	-69.8	169.3	-171.8	0	0	112.6	R1137 E1138	R1137-E1141 WeakPolarHBondContact O-CG 3.45Å; R1137-E1141 PolarHBondContact O-N 2.79Å; E1138-E1141 PolarHBondContact O-N 2.81Å
1142	T	31.4	Very low	43.2	Very low	113 Å²	113	105.8 Å²	105.8	69%	0.693	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	9.8	174	66.6	0	0	0	0	114.4	E1138 Q1140	E1138-T1142 WeakPolarHBondContact O-CB 3.26Å; E1138-T1142 WeakPolarHBondContact O-CG2 3.47Å; E1138-T1142 PolarHBondContact O-N 3.29Å; E1138-T1142 PolarHBondContact O-OG1 3.19Å; Q1140-T1142 PolarHBondContact O-N 2.8Å
1143	A	30	Very low	41.3	Very low	76 Å²	76	102.3 Å²	102.3	63%	0.628	53%	0.531	S	S	*	.			trans	-94.6	6.5	172	0	0	0	0	0	114	D1139 Q1140	D1139-A1143 WeakPolarHBondContact O-CB 3.36Å; Q1140-A1143 PolarHBondContact O-N 2.73Å; Q1140-A1143 VanDerWaalsContact O-N 3.16Å
1144	V	28.7	Very low	39.5	Very low	140 Å²	140	107.4 Å²	107.4	85%	0.848	56%	0.56	S	S	*	*			trans	-86.3	0	174.4	-173.8	0	0	0	0	110.2	H928 L929	H928-V1144 VanDerWaalsContact NE2-CG1 3.32Å; H928-V1144 WeakPolarHBondContact NE2-CG1 3.44Å; L929-V1144 HydrophobicContact CD2-CG1 4.21Å

Retrieved 1,144 of 1,144 residues in 820.8 ms (Link to these results)

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