A0A077YXC4_TRITR Loading...

Kunitz:Bovine pancreatic trypsin inhibitor

AlphaFold DB , UniProt , Accession A0A077YXC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,686 aa.

						>A0A077YXC4_TRITR|A0A077YXC4
MKTALCVDECHRGSWLRTLIVILSFIYSVIACKKLSNTQADNPYDNSGEDSITSRSNSLYPEIRELEVAFNNENWEAEIKMPSRSNYWSTRELHNGNKNDSFSKVQDCYLPKEDGEGVVAMPRWFFNSETGNCEIFFYRGQGGNGNNFLTYEACDLVCQANPCIQPKDSGIGKLQVIRFYFNLYLRLCESFTWTGAGGNRNNFPTIHECRQRCPENPNPCNYGVPLMTDKDEPVSCGFSDWQQLQCPVNYFCHIGASEVTTVCCPKEGEVNRCQQAQLTGIGNELLLRWYFNQIDQTCRFFFYRGLKGNENNFFSKEECEHHCFGDPCTNNSHNTIKESRIKCTSDRDCPSQFYCHIGGSPSSTVCCTADVGDKCLLPVAEGHGDEQLTRWYYDPYVQSCRPFLYRGRRGNQNNFLNPLGCETTCSDNERVAPGKAICNLPLATGTGQVTTTRWYYDAGSGQCMPFQYGGMYGNQNNFITKEDCERNCLTFVNACPSGAPLLRGGRPQFCSSDAGSCPSGYWCHIGATMSTTMCCPGESRLACDLVHLPGFGTASITRYYFDRSSGHCKQFIYKGMYGNQNNFISKEQCERTCLTTPAYVNPCRTGMPLSLSGKVFLCSKTNLCPSGYYCHIGSTAQTTACCSAEVTDPCRQNVEAGEGNEELERWYYDNFYGHCDSFVYRGKKGNQNNFVSKLECEQACATANPCAPNEPVSDQTGRKIFCTAEGANCPVGYWCHVGANPQTTVCCPGDVAEACNLPMATGHGGSNLRRYYFNSRLKMCVLFTYGGLGGNQNNFISKDACESTCRDALKICANGLPAVGPAGERLQCSESESSACPAGYWCHFGASPKTTVCCPKDSPGSSACDATLSLGHGNAQLQRYYFDKSTRTCLPFVYTGLGGSENNFLTEKACNDICIGGIVENPCAEGFPATDIGGQRMTCTPDRPNCPPAYWCHFGYDDKTTVCCPGSNQNSHHFFSPSSTLDLKTACTMPMIQGEGKHNIERFAFDAQSGQCISFVYKGIKGNANNFLTQKRCQVFCIAEQLNPCSQGFPASDESGAVHHCGQYGISCRTGYWCHYGASRATTVCCPGASSSPCKLPLSFGSGNAQLQRFYFDVSSQKCLMFAYGGIKGNQNNFPSKEICEETCIGSVNPCPQGEPAISGFSGERLLCSPEKFDCPQGYWCHKGGIPKTSVCCPGAVSDPCMLPIEPGFGTESLLRYGYNGFSKQCQSFYFKGLKGNQNNFMTMQQCVAACQDSVSGNPCAQGNPEVDMQGKVIHCFATGSDSYCGQDHWCHIGAKIETSVCCPGRVDNPCQLPLAVGSGGHSLNRWYFNGQTNTCVAFFYGGTRGNQNNFLTQEECNQACIVGFKNPCPVGEPQKNLQGQVIRCSFDSGCDANHWCHLGATVSTTVCCPGTGAKSACNFFKADPGQGDQSLSRWFYDANSQQCLSFIYRGTKGNPNNFLTKDDCERICQPDKVSNPCPEGKPLTGPDGKAQPCNALTATSSCPSGYWCHVGATIGTTVCCQGSRDPCTLPMATGVGEDLLPRWYYEPNTERCVQFTYRGSKGNQNNFLSMEACRAACREFRNPCIGQPARTTVGQVVYCSATNKENCPVNFWCHIGDTAETTMCCPGATNPCSVPLSPGTGTSSLPRWYYNADTRICTPFTYNGIGGNQNNFLNKVSCEEACPGK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.2	Very low	23.9	Very low	240 Å²	240	153.2 Å²	153.2	100%	1.182	84%	0.844	S	S	*	*				0	150.1	0	-76	171.1	169.4	0	0	108.4	T3	M1-T3 PolarHBondContact O-N 3.49Å
2	K	27.3	Very low	23.9	Very low	212 Å²	212	162.1 Å²	162.1	92%	0.922	86%	0.855	S	S	*	*			trans	-64.4	127.9	174.9	-69.7	177.8	174.7	-179.7	0	109.6
3	T	26.5	Very low	24	Very low	140 Å²	140	155.3 Å²	155.3	86%	0.859	85%	0.848	S	S	*	*			trans	-81.3	117	168.7	21.7	0	0	0	0	110	M1	M1-T3 PolarHBondContact O-N 3.49Å
4	A	24.9	Very low	24.1	Very low	89 Å²	89	152 Å²	152	74%	0.736	84%	0.842	S	S	*	*			trans	22.2	105.2	159.4	0	0	0	0	0	118.8
5	L	22.1	Very low	24	Very low	167 Å²	167	156.7 Å²	156.7	87%	0.874	84%	0.842	S	S	*	*			trans	-71.9	129.4	139.9	-80.9	143	0	0	0	108.1
6	C	22.9	Very low	23.9	Very low	124 Å²	124	154.9 Å²	154.9	84%	0.838	83%	0.831	S	S	*	*			trans	-131	106.3	158.5	-80.3	0	0	0	0	108.4
7	V	21.3	Very low	24	Very low	122 Å²	122	159.3 Å²	159.3	74%	0.739	83%	0.834	S	S	*	*			trans	-114.4	124	160.2	174	0	0	0	0	104.5
8	D	21	Very low	24	Very low	143 Å²	143	157.4 Å²	157.4	77%	0.765	83%	0.83	S	S	*	*			trans	-173	111.5	160.4	-92.7	-22.6	0	0	0	105.4
9	E	20.7	Very low	23.9	Very low	150 Å²	150	157.5 Å²	157.5	70%	0.701	83%	0.83	S	S	*	*				66.5	106.4	82.1	-68.5	-153.9	159.7	0	0	113.9
10	C	24	Very low	24	Very low	136 Å²	136	157.3 Å²	157.3	92%	0.919	83%	0.828	S	S	*	*			trans	-131.5	102.2	165	-92.8	0	0	0	0	110.1
11	H	23.3	Very low	23.9	Very low	162 Å²	162	155.8 Å²	155.8	75%	0.75	83%	0.825	S	S	*	*			trans	-69.2	142.8	174.2	-68.2	-86.1	0	0	0	113.2
12	R	23.6	Very low	23.8	Very low	260 Å²	260	151.3 Å²	151.3	98%	0.981	80%	0.804	S	S	*	*			trans	163.2	128.5	143	-91.5	158.4	-175	-165.1	3.2	108.2
13	G	25	Very low	23.5	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	80%	0.795	S	S	*	*			cis	171.2	170.3	-5.4	0	0	0	0	0	110.8
14	S	25.1	Very low	23.2	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	79%	0.786	S	S	*	*			trans	68.1	96.8	175.3	-150.7	0	0	0	0	116.6
15	W	23	Very low	23.1	Very low	222 Å²	222	150.4 Å²	150.4	84%	0.841	79%	0.79	S	S	*	*				57	100.3	79.7	-64.6	100.8	0	0	0	113.3
16	L	22.7	Very low	23	Very low	128 Å²	128	148.5 Å²	148.5	67%	0.67	78%	0.779	S	S	*	*				90.4	128.8	75.9	-139.9	94.9	0	0	0	113.3
17	R	24.9	Very low	23	Very low	230 Å²	230	153 Å²	153	87%	0.868	78%	0.78	S	S	*	*			trans	67	145.6	165.5	-76.9	-179.7	-177.9	-166.2	0.6	116
18	T	24.3	Very low	23.1	Very low	126 Å²	126	152.4 Å²	152.4	77%	0.773	78%	0.782	S	S	*	*			cis	-152.1	159.9	1.9	-49.8	0	0	0	0	109.8
19	L	22.5	Very low	23.3	Very low	158 Å²	158	151.4 Å²	151.4	83%	0.827	78%	0.78	S	S	*	*			trans	-59	132	166.3	-74.6	81.3	0	0	0	113.1
20	I	25.5	Very low	23.8	Very low	154 Å²	154	151.6 Å²	151.6	79%	0.79	79%	0.785	S	S	*	*			trans	-144.3	134.1	140.2	-67.2	-168.3	0	0	0	108.8	I22	I20-I22 HydrophobicContact CG2-CG1 4.28Å
21	V	22.5	Very low	23.8	Very low	125 Å²	125	149.2 Å²	149.2	76%	0.758	78%	0.775	S	S	*	*			trans	-102.7	114.3	171.9	170.5	0	0	0	0	109.1
22	I	26	Very low	23.7	Very low	147 Å²	147	146.9 Å²	146.9	75%	0.754	78%	0.775	S	S	*	*			trans	-137.4	92.4	154.2	-57.4	-177	0	0	0	108.4	I20	I20-I22 HydrophobicContact CG2-CG1 4.28Å
23	L	21.7	Very low	23.6	Very low	137 Å²	137	142 Å²	142	72%	0.717	76%	0.761	S	S	*	*				34.4	102.7	125.3	-72.1	162.6	0	0	0	118.6
24	S	20.5	Very low	23.5	Very low	97 Å²	97	146.5 Å²	146.5	68%	0.678	76%	0.76	S	S	*	*				48.7	91.7	125.9	62.9	0	0	0	0	118.8
25	F	21.9	Very low	23.3	Very low	187 Å²	187	147.9 Å²	147.9	82%	0.82	76%	0.758	S	S	*	*			trans	-140.6	106.8	155	-108.3	-91.2	0	0	0	113.2
26	I	21.6	Very low	23.3	Very low	127 Å²	127	141.1 Å²	141.1	65%	0.651	75%	0.745	S	S	*	*			trans	66.8	109.3	136.6	-63.4	-170	0	0	0	119.9
27	Y	21.6	Very low	23.4	Very low	218 Å²	218	142.2 Å²	142.2	86%	0.855	75%	0.751	S	S	*	*				38.6	155	122.3	-79.3	-98.2	0	0	0	122.7
28	S	23.2	Very low	23.5	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	75%	0.753	S	S	*	*			trans	88.5	132.7	172.9	-37.1	0	0	0	0	111.9
29	V	26.6	Very low	23.5	Very low	122 Å²	122	141.1 Å²	141.1	74%	0.739	76%	0.757	S	S	*	*	S	Bend	cis	-151.8	147.1	47.1	160.1	0	0	0	0	110.6
30	I	29.4	Very low	23.7	Very low	155 Å²	155	138.5 Å²	138.5	80%	0.795	76%	0.758	S	S	*	*			trans	63.9	95.4	-179.9	-55.1	148.2	0	0	0	113.4
31	A	25	Very low	23.7	Very low	86 Å²	86	138.4 Å²	138.4	71%	0.711	76%	0.76	S	S	*	*			cis	76.5	124.6	18.9	0	0	0	0	0	117
32	C	20.5	Very low	23.9	Very low	112 Å²	112	139.8 Å²	139.8	76%	0.757	76%	0.762	S	S	*	*			trans	73.4	139.1	179.8	-65	0	0	0	0	116.3
33	K	21.5	Very low	24.2	Very low	159 Å²	159	137.6 Å²	137.6	69%	0.691	76%	0.758	S	S	*	*			cis	-162.8	136.8	-2.6	-116.9	174.1	-175	172.3	0	107.9
34	K	23.2	Very low	24.5	Very low	167 Å²	167	141.1 Å²	141.1	73%	0.726	76%	0.763	S	S	*	*				66.5	149.1	100.5	-79.7	-167.1	-167.7	-163.2	0	114.6
35	L	22.2	Very low	24.7	Very low	139 Å²	139	142.1 Å²	142.1	73%	0.728	76%	0.761	S	S	*	*			cis	-151.9	125.7	10.2	-102.7	138.9	0	0	0	105.2
36	S	22.1	Very low	25.1	Very low	80 Å²	80	139.8 Å²	139.8	56%	0.559	76%	0.757	S	S	*	*				72.8	128.1	92.1	81.6	0	0	0	0	117.3
37	N	23.9	Very low	25.3	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	76%	0.761	S	S	*	*			trans	46.1	121.3	136.6	-57.4	8.8	0	0	0	120.1
38	T	27.6	Very low	25.8	Very low	149 Å²	149	131.7 Å²	131.7	91%	0.914	76%	0.755	S	S	*	*				-154.9	121.6	126.3	-1.5	0	0	0	0	110.3
39	Q	25.5	Very low	25.9	Very low	185 Å²	185	135.5 Å²	135.5	86%	0.864	76%	0.76	S	S	*	*			trans	-90.5	152.7	160.4	-61.9	160.6	-68.7	0	0	107.7
40	A	26.1	Very low	26.1	Very low	102 Å²	102	136.8 Å²	136.8	84%	0.843	76%	0.763	S	S	*	*			trans	-172.8	127.4	145.6	0	0	0	0	0	111.2
41	D	24.4	Very low	26	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	75%	0.754	S	S	*	*			trans	-73.5	152.2	174.2	-45.5	-89.5	0	0	0	112.8
42	N	28.6	Very low	26.2	Very low	153 Å²	153	136 Å²	136	82%	0.818	75%	0.754	S	S	*	*			trans	-170.1	136.4	133	-126.3	-14.5	0	0	0	112.9
43	P	31.6	Very low	26.6	Very low	101 Å²	101	136.9 Å²	136.9	66%	0.656	76%	0.756	S	S	*	*			trans	-96.2	-156.5	168.5	39.6	-33.9	0	0	0	111.7
44	Y	26.9	Very low	26.9	Very low	211 Å²	211	133.6 Å²	133.6	83%	0.827	75%	0.753	S	S	*	*			trans	86.4	136	-172.6	-66.4	-88.7	0	0	0	115
45	D	26.3	Very low	27.2	Very low	118 Å²	118	137 Å²	137	63%	0.631	76%	0.761	S	S	*	*			cis	153.3	122.3	-10.4	166.6	26.9	0	0	0	104.7
46	N	30.6	Very low	27.5	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	76%	0.756	S	S	*	*			trans	179.3	125	135.5	-106.2	-70.3	0	0	0	115.4
47	S	25.6	Very low	27.9	Very low	106 Å²	106	138 Å²	138	74%	0.741	77%	0.768	S	S	*	*			trans	62.3	136	130.8	73	0	0	0	0	123.8
48	G	30.9	Very low	28.4	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	77%	0.769	S	S	*	*			trans	106.9	84.5	161.6	0	0	0	0	0	113.5
49	E	24.9	Very low	28.5	Very low	189 Å²	189	136.2 Å²	136.2	88%	0.883	76%	0.761	S	S	*	*				57.6	92.2	50.9	-77.7	-165.8	146.4	0	0	115.1
50	D	32.5	Very low	28.4	Very low	150 Å²	150	136.3 Å²	136.3	80%	0.802	76%	0.755	S	S	*	*				-176	115.5	120.5	-100.4	-35.3	0	0	0	108.4
51	S	27	Very low	28.4	Very low	86 Å²	86	136.9 Å²	136.9	60%	0.601	75%	0.75	S	S	*	*				72.8	123.5	73.1	91.6	0	0	0	0	111.7
52	I	27.9	Very low	28.6	Very low	139 Å²	139	136.2 Å²	136.2	71%	0.713	74%	0.742	S	S	*	*				-177.8	141.7	72.6	-98.6	155.8	0	0	0	111.6
53	T	29	Very low	28.6	Very low	129 Å²	129	136.7 Å²	136.7	79%	0.791	74%	0.743	S	S	*	*			trans	66.8	154	159.4	59.2	0	0	0	0	122.4
54	S	28.8	Very low	28.2	Very low	90 Å²	90	141.1 Å²	141.1	63%	0.629	75%	0.747	S	S	*	*			cis	-176.2	163.7	-24.8	62	0	0	0	0	111.7
55	R	29.1	Very low	28.1	Very low	238 Å²	238	138.3 Å²	138.3	90%	0.898	74%	0.741	S	S	*	*			trans	71.8	149.9	167.5	-62	175.2	172.4	-173.4	-3	116.5
56	S	29.2	Very low	27.9	Very low	89 Å²	89	137.6 Å²	137.6	62%	0.622	74%	0.737	S	S	*	*			cis	-174.6	154.7	-12.8	49.9	0	0	0	0	112.6
57	N	30.3	Very low	27.6	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	73%	0.73	S	S	*	*			trans	83	130.9	154.7	-58.2	-18.6	0	0	0	122.4
58	S	33.2	Very low	27.7	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	73%	0.725	S	S	*	*			trans	65.8	143.1	137.6	-175	0	0	0	0	119.6
59	L	31.2	Very low	27.2	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	71%	0.713	S	S	*	*			cis	-169.8	145.3	-20.3	-177.8	78.7	0	0	0	104.7
60	Y	22.4	Very low	27.2	Very low	187 Å²	187	134 Å²	134	73%	0.733	70%	0.7	S	S	*	*			trans	75.3	134.1	-164	-78.6	-100	0	0	0	115.1
61	P	26.7	Very low	26.8	Very low	114 Å²	114	132.6 Å²	132.6	74%	0.74	69%	0.692	S	S	*	*			trans	-117.5	37.1	-151.6	24.2	0.6	0	0	0	112.1
62	E	27.6	Very low	26.7	Very low	140 Å²	140	133.2 Å²	133.2	65%	0.654	69%	0.689	S	S	*	*			trans	-89.2	141.2	-160.1	-64.9	168	151	0	0	113.1	R64	E62-R64 VanDerWaalsContact C-N 3.28Å; E62-R64 PolarHBondContact O-N 2.89Å; E62-R64 VanDerWaalsContact O-N 3.13Å
63	I	29	Very low	26.7	Very low	163 Å²	163	134.1 Å²	134.1	84%	0.836	69%	0.69	S	S	*	*	S	Bend	trans	71.7	10	154.1	-58.5	157.9	0	0	0	115.8	E65	I63-E65 CarbonylContact C-O 3.52Å
64	R	22.3	Very low	26.7	Very low	193 Å²	193	134.5 Å²	134.5	73%	0.728	69%	0.687	S	S	*	*				-155.1	120.4	127.3	-154.8	178.6	-173.8	-167.1	3	110.7	E62 E67	E62-R64 VanDerWaalsContact C-N 3.28Å; E62-R64 PolarHBondContact O-N 2.89Å; E62-R64 VanDerWaalsContact O-N 3.13Å; R64-E67 PolarHBondContact NE-O 3.44Å; R64-E67 PolarHBondContact NH2-O 2.89Å
65	E	25.6	Very low	26.4	Very low	152 Å²	152	141.9 Å²	141.9	71%	0.71	70%	0.702	S	S	*	*	S	Bend	cis	-9.6	125.9	-11.6	-75.6	-172.3	-111.8	0	0	118.8	I63	I63-E65 CarbonylContact C-O 3.52Å
66	L	21.9	Very low	26.1	Very low	103 Å²	103	140.1 Å²	140.1	54%	0.539	70%	0.703	S	S	.	*			cis	-142	167.8	0	-61.8	111.7	0	0	0	106.7	A69	L66-A69 HydrophobicContact CD2-CB 3.89Å; L66-A69 WeakPolarHBondContact CD2-O 3.43Å
67	E	25	Very low	25.9	Very low	128 Å²	128	139 Å²	139	60%	0.598	70%	0.7	S	S	*	*	S	Bend	cis	-101.3	139.1	18.4	-61.8	140	-174.9	0	0	110.2	R64	R64-E67 PolarHBondContact NE-O 3.44Å; R64-E67 PolarHBondContact NH2-O 2.89Å
68	V	26.1	Very low	25.7	Very low	106 Å²	106	140.7 Å²	140.7	64%	0.642	70%	0.703	S	S	*	*	S	Bend		-126.6	75	61.5	-168	0	0	0	0	112.5	N71	V68-N71 HydrophobicContact CG1-CB 3.8Å
69	A	22.4	Very low	25.2	Very low	57 Å²	57	143.5 Å²	143.5	47%	0.471	71%	0.707	S	S	.	*	S	Bend		-143.1	89.4	128	0	0	0	0	0	104	L66	L66-A69 HydrophobicContact CD2-CB 3.89Å; L66-A69 WeakPolarHBondContact CD2-O 3.43Å
70	F	24.4	Very low	24.9	Very low	137 Å²	137	146.3 Å²	146.3	60%	0.601	71%	0.713	S	S	*	*			cis	-138.1	112.4	45.4	-99	-134.5	0	0	0	110.7	N72	F70-N72 VanDerWaalsContact C-N 3.25Å; F70-N72 VanDerWaalsContact CB-N 3.35Å; F70-N72 HydrophobicContact CD1-CB 3.64Å; F70-N72 WeakPolarHBondContact CD1-ND2 3.13Å; F70-N72 HydrophobicContact CE1-CB 3.98Å; F70-N72 WeakPolarHBondContact CE1-ND2 3.47Å
71	N	22.8	Very low	24.9	Very low	120 Å²	120	146.1 Å²	146.1	64%	0.642	72%	0.721	S	S	*	*				-60.9	84.2	99.8	-63.2	2.8	0	0	0	114.8	V68	V68-N71 HydrophobicContact CG1-CB 3.8Å
72	N	26.3	Very low	24.9	Very low	99 Å²	99	146.1 Å²	146.1	53%	0.529	72%	0.721	S	S	.	*				-122.6	117.7	107.1	-65.3	-74.8	0	0	0	103.7	F70	F70-N72 VanDerWaalsContact C-N 3.25Å; F70-N72 VanDerWaalsContact CB-N 3.35Å; F70-N72 HydrophobicContact CD1-CB 3.64Å; F70-N72 WeakPolarHBondContact CD1-ND2 3.13Å; F70-N72 HydrophobicContact CE1-CB 3.98Å; F70-N72 WeakPolarHBondContact CE1-ND2 3.47Å
73	E	26.8	Very low	24.8	Very low	158 Å²	158	144.6 Å²	144.6	74%	0.738	73%	0.726	S	S	*	*				55.9	124.6	79.8	-64.3	-165.9	179.9	0	0	113.2
74	N	29.6	Very low	24.5	Very low	138 Å²	138	148.9 Å²	148.9	74%	0.738	73%	0.731	S	S	*	*			trans	67	68.3	164.8	-66.6	-31.8	0	0	0	119.8
75	W	22.8	Very low	24.8	Very low	245 Å²	245	144 Å²	144	93%	0.928	73%	0.727	S	S	*	*			trans	-129.4	44.6	140.1	-67.5	82.1	0	0	0	112.3	A77	W75-A77 PolarHBondContact O-N 2.61Å
76	E	22	Very low	24.7	Very low	200 Å²	200	144 Å²	144	94%	0.935	73%	0.731	S	S	*	*			trans	-70.3	73.6	151.3	-83.8	-151.5	148	0	0	109.4
77	A	25	Very low	24.6	Very low	66 Å²	66	148.4 Å²	148.4	55%	0.545	74%	0.743	S	S	.	*			trans	-149.6	133.8	169	0	0	0	0	0	110.4	W75	W75-A77 PolarHBondContact O-N 2.61Å
78	E	26.5	Very low	24.5	Very low	188 Å²	188	154.5 Å²	154.5	88%	0.879	76%	0.76	S	S	*	*	S	Bend	trans	77.6	32.3	161.2	-49.3	-161.2	158.2	0	0	121.5
79	I	23.6	Very low	24.3	Very low	175 Å²	175	153.8 Å²	153.8	90%	0.897	76%	0.76	S	S	*	*			trans	-126.5	65.6	140.6	-47	-178.7	0	0	0	111.3
80	K	23.6	Very low	24.3	Very low	204 Å²	204	156.4 Å²	156.4	89%	0.887	77%	0.77	S	S	*	*			trans	-103.3	105.3	151.4	-84.3	-179	178.2	168.5	0	108.9
81	M	23.7	Very low	24.2	Very low	183 Å²	183	160.6 Å²	160.6	90%	0.901	78%	0.782	S	S	*	*			trans	-135.8	149.3	145	-81.2	-146.8	-177.2	0	0	110.6
82	P	26.2	Very low	24.2	Very low	113 Å²	113	162.7 Å²	162.7	73%	0.734	79%	0.788	S	S	*	*			trans	-95	172.5	-151.1	-6.2	27.4	0	0	0	114.3	R84	P82-R84 PolarHBondContact O-N 3.33Å
83	S	24.3	Very low	24	Very low	109 Å²	109	166.4 Å²	166.4	76%	0.762	81%	0.807	S	S	*	*			trans	-39.6	118.6	167.9	51	0	0	0	0	113.7	S85	S83-S85 PolarHBondContact O-N 3.22Å
84	R	24.1	Very low	23.9	Very low	252 Å²	252	167 Å²	167	95%	0.951	81%	0.809	S	S	*	*			trans	-70.6	86.5	169.6	-82.5	178.2	164.2	166.3	-4.6	111.4	P82	P82-R84 PolarHBondContact O-N 3.33Å
85	S	27.1	Very low	23.6	Very low	90 Å²	90	168.3 Å²	168.3	63%	0.629	82%	0.816	S	S	*	*			trans	-123	138.1	144.1	64.9	0	0	0	0	108.2	S83	S83-S85 PolarHBondContact O-N 3.22Å
86	N	24.5	Very low	23.7	Very low	152 Å²	152	159.9 Å²	159.9	81%	0.813	81%	0.806	S	S	*	*	S	Bend	trans	71.6	57.4	177.5	-48.1	-24.4	0	0	0	117.4
87	Y	20.1	Very low	23.9	Very low	197 Å²	197	157 Å²	157	77%	0.773	80%	0.797	S	S	*	*			trans	-142.6	47.9	137.8	-139.2	-93.8	0	0	0	112.8
88	W	22.4	Very low	23.9	Very low	256 Å²	256	163.1 Å²	163.1	97%	0.97	81%	0.811	S	S	*	*			trans	-121	64.9	161.3	-81.5	109.1	0	0	0	109.9
89	S	22.9	Very low	24	Very low	90 Å²	90	159.9 Å²	159.9	63%	0.629	80%	0.799	S	S	*	*	S	Bend	trans	-139.9	128.4	145.3	62.2	0	0	0	0	108.1
90	T	22.3	Very low	24.3	Very low	112 Å²	112	158 Å²	158	69%	0.687	79%	0.792	S	S	*	*			trans	51.4	83	165.7	59.1	0	0	0	0	117.2
91	R	22.1	Very low	24.7	Very low	225 Å²	225	152.8 Å²	152.8	85%	0.849	78%	0.78	S	S	*	*				-132.7	114.5	115.5	-118	-178.1	-176.1	-158.2	-0.9	110.5
92	E	22.1	Very low	25.1	Very low	165 Å²	165	151.4 Å²	151.4	77%	0.771	77%	0.77	S	S	*	*			trans	-63.5	164	-179.6	-63.8	159	152.1	0	0	111.3	H94	E92-H94 PolarHBondContact O-N 2.95Å
93	L	21.8	Very low	25.8	Very low	176 Å²	176	149.3 Å²	149.3	92%	0.921	76%	0.758	S	S	*	*			trans	-49.7	90.9	172.5	-76.8	106.3	0	0	0	112.9	N95	L93-N95 PolarHBondContact O-N 3.49Å; L93-N95 VanDerWaalsContact O-N 3.13Å
94	H	25.5	Very low	27	Very low	170 Å²	170	150 Å²	150	79%	0.787	75%	0.747	S	S	*	*			trans	-78.7	95.4	154.7	-89.8	-59.4	0	0	0	109	E92 G96	E92-H94 PolarHBondContact O-N 2.95Å; H94-G96 PolarHBondContact O-N 2.9Å
95	N	22.9	Very low	28.6	Very low	166 Å²	166	140.7 Å²	140.7	89%	0.888	72%	0.718	S	S	*	*			trans	-40.4	96.5	169.1	-170.7	17.6	0	0	0	112	L93	L93-N95 PolarHBondContact O-N 3.49Å; L93-N95 VanDerWaalsContact O-N 3.13Å
96	G	24.1	Very low	30.2	Very low	69 Å²	69	142.9 Å²	142.9	71%	0.711	72%	0.718	S	S	*	*			trans	-127.6	93.8	-175.9	0	0	0	0	0	111.2	H94	H94-G96 PolarHBondContact O-N 2.9Å
97	N	27.2	Very low	32.6	Very low	139 Å²	139	137.8 Å²	137.8	74%	0.743	69%	0.691	S	S	*	*			trans	15.5	112.9	170.4	-90.3	-18.4	0	0	0	118.9	N99	N97-N99 PolarHBondContact O-N 3.5Å
98	K	25.6	Very low	35.3	Very low	195 Å²	195	128.5 Å²	128.5	85%	0.848	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	9.8	169.5	-80.9	-175.8	171.2	179.8	0	116.3
99	N	27.6	Very low	37.7	Very low	119 Å²	119	124.1 Å²	124.1	64%	0.636	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-11.9	-165.3	-78.1	16.2	0	0	0	116.1	N97 F102	N97-N99 PolarHBondContact O-N 3.5Å; N99-F102 PolarHBondContact O-N 3.36Å
100	D	30.7	Very low	40.4	Very low	137 Å²	137	123 Å²	123	73%	0.733	63%	0.626	S	S	*	*	H	α-helix	trans	-77.6	-30.6	-175	-158.7	38.8	0	0	0	113.3	F102	D100-F102 VanDerWaalsContact C-N 3.29Å; D100-F102 PolarHBondContact O-N 2.03Å
101	S	31.6	Very low	43	Very low	93 Å²	93	122.3 Å²	122.3	65%	0.65	62%	0.623	S	S	*	*	H	α-helix	trans	-70.8	-24.1	173.8	63.8	0	0	0	0	113.4	S103	S101-S103 VanDerWaalsContact C-N 3.35Å
102	F	32.1	Very low	45.7	Very low	155 Å²	155	115.7 Å²	115.7	68%	0.68	60%	0.6	S	S	*	*	H	α-helix	trans	-74.6	-27.6	-178.4	-136.2	-87.2	0	0	0	112.4	N99 D100	N99-F102 PolarHBondContact O-N 3.36Å; D100-F102 VanDerWaalsContact C-N 3.29Å; D100-F102 PolarHBondContact O-N 2.03Å
103	S	40.9	Very low	48.7	Very low	68 Å²	68	112 Å²	112	48%	0.476	58%	0.583	S	S	.	*	H	α-helix	trans	-63.3	-50	177.6	-169.5	0	0	0	0	111.6	S101 V105 Q106	S101-S103 VanDerWaalsContact C-N 3.35Å; S103-V105 VanDerWaalsContact C-N 3.25Å; S103-V105 PolarHBondContact O-N 2.89Å; S103-Q106 WeakPolarHBondContact O-CB 3.42Å; S103-Q106 PolarHBondContact O-N 3.47Å
104	K	48.6	Very low	51.2	Low	124 Å²	124	106.5 Å²	106.5	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-67.6	-17.9	-178	-75.5	-167	172.4	-174.3	0	115.3	Q106 D107 V157	K104-Q106 VanDerWaalsContact C-N 3.28Å; K104-D107 WeakPolarHBondContact O-CB 3.32Å; K104-D107 PolarHBondContact O-N 3.43Å; K104-V157 HydrophobicContact CB-CG1 3.8Å; K104-V157 VanDerWaalsContact O-CG1 3.3Å; K104-V157 WeakPolarHBondContact O-CG1 3.03Å
105	V	57.5	Low	53.6	Low	56 Å²	56	99.4 Å²	99.4	34%	0.339	53%	0.527	S	S	.	.	H	α-helix	trans	-74.3	-23.6	174	-178.2	0	0	0	0	110.9	S103 C108 Y109	S103-V105 VanDerWaalsContact C-N 3.25Å; S103-V105 PolarHBondContact O-N 2.89Å; V105-C108 WeakPolarHBondContact O-CB 3.21Å; V105-Y109 HydrophobicContact CG1-CE2 4.32Å; V105-Y109 WeakPolarHBondContact O-CD2 2.99Å; V105-Y109 VanDerWaalsContact O-CE2 3.25Å; V105-Y109 WeakPolarHBondContact O-CE2 2.98Å
106	Q	62.2	Low	56	Low	137 Å²	137	100.2 Å²	100.2	64%	0.64	53%	0.526	S	S	*	.	H	α-helix	trans	-71.8	-30.3	174.9	-70.5	-178.1	-78	0	0	112.6	S103 K104 C108 Y109	S103-Q106 WeakPolarHBondContact O-CB 3.42Å; S103-Q106 PolarHBondContact O-N 3.47Å; K104-Q106 VanDerWaalsContact C-N 3.28Å; Q106-C108 PolarHBondContact O-N 2.84Å; Q106-Y109 PolarHBondContact O-N 2.8Å; Q106-Y109 VanDerWaalsContact O-N 3.13Å
107	D	74.7	Confident	58.2	Low	44 Å²	44	97.5 Å²	97.5	24%	0.235	50%	0.498	C	S	.	.	H	α-helix	trans	-54.4	-37	175.3	-68.9	-33.1	0	0	0	112	K104 Y109 L110 N146	K104-D107 WeakPolarHBondContact O-CB 3.32Å; K104-D107 PolarHBondContact O-N 3.43Å; D107-Y109 PolarHBondContact O-N 3.48Å; D107-Y109 VanDerWaalsContact O-N 3.14Å; D107-L110 WeakPolarHBondContact O-CB 3.34Å; D107-L110 WeakPolarHBondContact O-CG 3.24Å; D107-L110 PolarHBondContact O-N 3Å; D107-L110 VanDerWaalsContact O-N 3.08Å; D107-N146 VanDerWaalsContact O-CB 3.29Å; D107-N146 WeakPolarHBondContact O-CB 3.35Å
108	C	75.7	Confident	60.3	Low	2 Å²	2	98 Å²	98	1%	0.014	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.7	-179.1	-52.1	0	0	0	0	114.7	V105 Q106 F126 N146 C158	V105-C108 WeakPolarHBondContact O-CB 3.21Å; Q106-C108 PolarHBondContact O-N 2.84Å; C108-F126 HydrophobicContact CB-CB 4.22Å; C108-F126 HydrophobicContact CB-CD1 4.14Å; C108-F126 HydrophobicContact CB-CG 4.36Å; C108-F126 WeakPolarHBondContact O-CD1 3.48Å; C108-N146 PolarHBondContact O-ND2 2.04Å; C108-C158 HydrophobicContact CB-CB 3.64Å; C108-C158 WeakPolarHBondContact CB-SG 3.45Å; C108-C158 WeakPolarHBondContact SG-CA 3.35Å; C108-C158 WeakPolarHBondContact SG-CB 3.5Å; C108-C158 CovalentContact SG-SG 2.03Å; C108-C158 PolarHBondContact SG-SG 3.44Å
109	Y	73.7	Confident	61.8	Low	164 Å²	164	93 Å²	93	64%	0.643	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.1	179.3	-56.9	-84.6	0	0	0	113	V105 Q106 D107	V105-Y109 HydrophobicContact CG1-CE2 4.32Å; V105-Y109 WeakPolarHBondContact O-CD2 2.99Å; V105-Y109 VanDerWaalsContact O-CE2 3.25Å; V105-Y109 WeakPolarHBondContact O-CE2 2.98Å; Q106-Y109 PolarHBondContact O-N 2.8Å; Q106-Y109 VanDerWaalsContact O-N 3.13Å; D107-Y109 PolarHBondContact O-N 3.48Å; D107-Y109 VanDerWaalsContact O-N 3.14Å
110	L	79.1	Confident	63.6	Low	68 Å²	68	90.4 Å²	90.4	36%	0.356	49%	0.486	S	S	.	.	S	Bend	trans	-77.3	143.5	175.2	-55.1	174.8	0	0	0	109.7	D107 N144 N146	D107-L110 WeakPolarHBondContact O-CB 3.34Å; D107-L110 WeakPolarHBondContact O-CG 3.24Å; D107-L110 PolarHBondContact O-N 3Å; D107-L110 VanDerWaalsContact O-N 3.08Å; L110-N144 HydrophobicContact CD1-CB 3.97Å; L110-N146 HydrophobicContact CB-CB 4.24Å; L110-N146 WeakPolarHBondContact O-CB 3.22Å; L110-N146 PolarHBondContact O-ND2 2.89Å
111	P	76.6	Confident	65.4	Low	96 Å²	96	87.6 Å²	87.6	62%	0.623	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-65.6	152.2	175.4	29	-35.2	0	0	0	110.7	E113 N144	P111-E113 PolarHBondContact O-N 2.81Å; P111-N144 PolarHBondContact O-ND2 3.26Å; P111-N144 PolarHBondContact O-OD1 3.45Å
112	K	80.6	Confident	67.7	Low	86 Å²	86	86.6 Å²	86.6	37%	0.374	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-61.5	134.6	174.5	79.3	175.1	-167.5	59.6	0	110.6	D114 F125 F136	K112-D114 IonicContact NZ-OD1 2.67Å; K112-D114 PolarHBondContact NZ-OD1 3.48Å; K112-D114 IonicContact NZ-OD2 3.08Å; K112-D114 PolarHBondContact NZ-OD2 3.07Å; K112-F125 HydrophobicContact CB-CB 4.34Å; K112-F125 HydrophobicContact CB-CD1 4.15Å; K112-F125 HydrophobicContact CB-CD2 3.65Å; K112-F125 HydrophobicContact CB-CE1 4.4Å; K112-F125 HydrophobicContact CB-CE2 3.9Å; K112-F125 HydrophobicContact CB-CG 3.77Å; K112-F125 HydrophobicContact CB-CZ 4.29Å; K112-F125 HydrophobicContact CD-CD1 4.19Å; K112-F125 HydrophobicContact CD-CE1 3.73Å; K112-F125 HydrophobicContact CD-CE2 4.16Å; K112-F125 HydrophobicContact CD-CZ 3.72Å; K112-F125 HydrophobicContact CG-CE2 4.35Å; K112-F125 HydrophobicContact CG-CZ 4.41Å; K112-F136 HydrophobicContact CD-CB 4.2Å
113	E	83.7	Confident	70.5	Confident	88 Å²	88	81.7 Å²	81.7	41%	0.411	44%	0.438	S	S	.	.			trans	-121.1	110.4	172.9	-86.1	177.3	-145.2	0	0	110.1	P111 G115 F136 G143 N144	P111-E113 PolarHBondContact O-N 2.81Å; E113-G115 PolarHBondContact O-N 2.91Å; E113-F136 WeakPolarHBondContact O-CE2 3.47Å; E113-G143 VanDerWaalsContact OE2-CA 3.27Å; E113-G143 WeakPolarHBondContact OE2-CA 3.32Å; E113-G143 PolarHBondContact OE2-N 3.38Å; E113-N144 VanDerWaalsContact CD-ND2 3.28Å; E113-N144 WeakPolarHBondContact CG-ND2 3.23Å; E113-N144 PolarHBondContact OE1-ND2 3.22Å
114	D	75	Confident	72.6	Confident	61 Å²	61	81.9 Å²	81.9	33%	0.326	43%	0.428	S	S	.	.			trans	-67.2	-17.6	-179	-59.7	-23.4	0	0	0	112.2	K112 F136 Y138 R139	K112-D114 IonicContact NZ-OD1 2.67Å; K112-D114 PolarHBondContact NZ-OD1 3.48Å; K112-D114 IonicContact NZ-OD2 3.08Å; K112-D114 PolarHBondContact NZ-OD2 3.07Å; D114-F136 WeakPolarHBondContact OD1-CD2 3.41Å; D114-Y138 CarbonylContact O-C 3.53Å; D114-Y138 WeakPolarHBondContact O-CA 3.38Å; D114-R139 VanDerWaalsContact O-CB 3.3Å; D114-R139 WeakPolarHBondContact O-CB 3.25Å; D114-R139 WeakPolarHBondContact O-CG 3.09Å; D114-R139 PolarHBondContact O-N 2.77Å
115	G	76	Confident	74.4	Confident	20 Å²	20	76.9 Å²	76.9	21%	0.206	41%	0.407	C	S	.	.			trans	75.1	173.3	-178.7	0	0	0	0	0	114.3	E113 R139 Q141	E113-G115 PolarHBondContact O-N 2.91Å; G115-R139 WeakPolarHBondContact O-CD 3.29Å; G115-Q141 CarbonylContact C-O 3.5Å; G115-Q141 WeakPolarHBondContact CA-O 3.34Å
116	E	72.8	Confident	75.5	Confident	183 Å²	183	75.4 Å²	75.4	86%	0.855	40%	0.396	S	S	*	.	S	Bend	trans	-107.4	-6.3	-171.8	-69.8	-165.3	148.6	0	0	115.1	Q141	E116-Q141 PolarHBondContact N-O 3.28Å
117	G	70.3	Confident	76.5	Confident	12 Å²	12	70.1 Å²	70.1	12%	0.124	37%	0.372	C	S	.	.	S	Bend	trans	-67.1	-179.1	-177.1	0	0	0	0	0	114.7	R139	G117-R139 CarbonylContact C-O 3.51Å; G117-R139 VanDerWaalsContact C-O 3.3Å; G117-R139 WeakPolarHBondContact CA-O 3.44Å; G117-R139 WeakPolarHBondContact O-CB 3.27Å; G117-R139 WeakPolarHBondContact O-CD 3.3Å
118	V	71	Confident	76.2	Confident	150 Å²	150	71.6 Å²	71.6	91%	0.909	39%	0.386	S	S	*	.	S	Bend	trans	-97.8	-5.2	-179.2	-66.5	0	0	0	0	114.1
119	V	57.1	Low	75.7	Confident	90 Å²	90	80.3 Å²	80.3	55%	0.545	43%	0.426	S	S	.	.			trans	-113	97.7	-172.1	-175.3	0	0	0	0	110.5	M121 R139	V119-M121 HydrophobicContact CG1-CG 4.06Å; V119-M121 PolarHBondContact O-N 3.33Å; V119-R139 PolarHBondContact N-O 3.37Å; V119-R139 CarbonylContact O-C 3.52Å; V119-R139 WeakPolarHBondContact O-CA 3.49Å; V119-R139 VanDerWaalsContact O-O 3.13Å
120	A	66.1	Low	75.5	Confident	65 Å²	65	75.8 Å²	75.8	54%	0.537	42%	0.416	S	S	.	.			trans	-68.6	97.2	175.7	0	0	0	0	0	111.6	F137	A120-F137 HydrophobicContact CB-CB 4.22Å
121	M	68	Low	74.7	Confident	77 Å²	77	74.1 Å²	74.1	38%	0.379	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127	175	-55	-177.3	76.8	0	0	110.1	V119 R123 F137 Y138	V119-M121 HydrophobicContact CG1-CG 4.06Å; V119-M121 PolarHBondContact O-N 3.33Å; M121-R123 PolarHBondContact O-N 2.98Å; M121-F137 CarbonylContact O-C 3.51Å; M121-F137 WeakPolarHBondContact O-CA 3.49Å; M121-Y138 WeakPolarHBondContact CA-O 3.36Å; M121-Y138 WeakPolarHBondContact CB-O 3.39Å; M121-Y138 PolarHBondContact N-O 3.11Å; M121-Y138 PolarHBondContact O-N 2.92Å
122	P	80.1	Confident	74.3	Confident	73 Å²	73	73.6 Å²	73.6	47%	0.474	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	131	170.9	24.8	-31.7	0	0	0	110.5	I135 F137	P122-I135 HydrophobicContact CB-CD1 4.01Å; P122-I135 HydrophobicContact CB-CG1 4.41Å; P122-F137 HydrophobicContact CB-CD1 4.24Å; P122-F137 HydrophobicContact CB-CE1 4.02Å
123	R	90	Very high	74.3	Confident	51 Å²	51	69.9 Å²	69.9	19%	0.192	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	166.1	-180	-69.4	-63.5	-176.4	127.1	-3.2	109.1	M121 I135 F136 Y138 N147 F148	M121-R123 PolarHBondContact O-N 2.98Å; R123-I135 CarbonylContact O-C 3.54Å; R123-I135 WeakPolarHBondContact O-CA 3.41Å; R123-I135 WeakPolarHBondContact O-CG1 3.46Å; R123-F136 HydrophobicContact CB-CD1 3.96Å; R123-F136 HydrophobicContact CB-CE1 3.49Å; R123-F136 VanDerWaalsContact CB-CE1 3.49Å; R123-F136 HydrophobicContact CB-CZ 3.92Å; R123-F136 PolarHBondContact N-O 2.85Å; R123-F136 WeakPolarHBondContact O-CD1 3.38Å; R123-F136 PolarHBondContact O-N 3.07Å; R123-Y138 HydrophobicContact CG-CD1 4.33Å; R123-Y138 HydrophobicContact CG-CG 4.39Å; R123-N147 WeakPolarHBondContact CB-OD1 3.38Å; R123-N147 WeakPolarHBondContact CD-OD1 3.1Å; R123-N147 WeakPolarHBondContact CG-OD1 3.47Å; R123-F148 WeakPolarHBondContact CA-O 3.38Å; R123-F148 WeakPolarHBondContact CD-O 3.37Å
124	W	85.5	Confident	74.2	Confident	72 Å²	72	68.7 Å²	68.7	27%	0.273	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140	-179.5	-63.4	81.2	0	0	0	110	E134 I135 F148 Y151 C154	W124-E134 CarbonylContact C-O 3.47Å; W124-E134 VanDerWaalsContact CA-O 3.29Å; W124-E134 WeakPolarHBondContact CA-O 3.49Å; W124-I135 HydrophobicContact CD2-CB 4.18Å; W124-I135 HydrophobicContact CD2-CG1 4.41Å; W124-I135 HydrophobicContact CE3-CB 4.06Å; W124-I135 HydrophobicContact CH2-CB 4.09Å; W124-I135 HydrophobicContact CZ2-CB 4.18Å; W124-I135 HydrophobicContact CZ2-CD1 4.06Å; W124-I135 HydrophobicContact CZ2-CG1 4.3Å; W124-I135 HydrophobicContact CZ3-CB 4.03Å; W124-F148 HydrophobicContact CB-CB 4.36Å; W124-F148 PolarHBondContact N-O 3.33Å; W124-F148 WeakPolarHBondContact O-CB 3.47Å; W124-F148 WeakPolarHBondContact O-CD2 3.24Å; W124-F148 PolarHBondContact O-N 2.82Å; W124-Y151 VanDerWaalsContact CD1-N 3.35Å; W124-Y151 HydrophobicContact CD2-CD2 4.4Å; W124-Y151 AromaticContact CE3-CD2 3.76Å; W124-Y151 HydrophobicContact CE3-CD2 3.76Å; W124-Y151 HydrophobicContact CE3-CG 4.42Å; W124-Y151 HydrophobicContact CH2-CD2 4.3Å; W124-Y151 AromaticContact CZ3-CD2 3.7Å; W124-Y151 HydrophobicContact CZ3-CD2 3.7Å; W124-Y151 HydrophobicContact CZ3-CG 4.39Å; W124-C154 HydrophobicContact CB-CB 4.04Å
125	F	87.6	Confident	74.7	Confident	19 Å²	19	69.9 Å²	69.9	8%	0.083	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.1	174.5	80.9	-76.7	0	0	0	109.7	K112 N127 C133 E134 F136 N146	K112-F125 HydrophobicContact CB-CB 4.34Å; K112-F125 HydrophobicContact CB-CD1 4.15Å; K112-F125 HydrophobicContact CB-CD2 3.65Å; K112-F125 HydrophobicContact CB-CE1 4.4Å; K112-F125 HydrophobicContact CB-CE2 3.9Å; K112-F125 HydrophobicContact CB-CG 3.77Å; K112-F125 HydrophobicContact CB-CZ 4.29Å; K112-F125 HydrophobicContact CD-CD1 4.19Å; K112-F125 HydrophobicContact CD-CE1 3.73Å; K112-F125 HydrophobicContact CD-CE2 4.16Å; K112-F125 HydrophobicContact CD-CZ 3.72Å; K112-F125 HydrophobicContact CG-CE2 4.35Å; K112-F125 HydrophobicContact CG-CZ 4.41Å; F125-N127 HydrophobicContact CD2-CB 4.32Å; F125-N127 HydrophobicContact CE2-CB 3.53Å; F125-N127 HydrophobicContact CZ-CB 3.8Å; F125-N127 PolarHBondContact O-N 3.39Å; F125-C133 CarbonylContact O-C 3.5Å; F125-C133 WeakPolarHBondContact O-CA 3.48Å; F125-E134 HydrophobicContact CD1-CB 4.25Å; F125-E134 VanDerWaalsContact CD1-O 3.3Å; F125-E134 WeakPolarHBondContact CD1-O 2.96Å; F125-E134 HydrophobicContact CE1-CB 3.7Å; F125-E134 HydrophobicContact CZ-CB 4.15Å; F125-E134 PolarHBondContact N-O 2.74Å; F125-E134 PolarHBondContact O-N 3.32Å; F125-F136 HydrophobicContact CB-CD1 3.86Å; F125-F136 HydrophobicContact CB-CE1 3.79Å; F125-F136 HydrophobicContact CD1-CB 3.92Å; F125-F136 AromaticContact CD1-CD1 3.66Å; F125-F136 HydrophobicContact CD1-CD1 3.66Å; F125-F136 HydrophobicContact CD1-CE1 4.44Å; F125-F136 AromaticContact CD1-CG 4Å; F125-F136 HydrophobicContact CD1-CG 4Å; F125-F136 HydrophobicContact CE1-CB 4.18Å; F125-F136 HydrophobicContact CG-CD1 4.16Å; F125-N146 WeakPolarHBondContact CA-OD1 3.49Å; F125-N146 HydrophobicContact CB-CB 4.45Å; F125-N146 WeakPolarHBondContact CB-O 3.3Å
126	F	80	Confident	75.2	Confident	25 Å²	25	69.3 Å²	69.3	11%	0.11	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	108.3	171	-174.2	-101.6	0	0	0	109.4	C108 S128 G131 N146 C158 Q159	C108-F126 HydrophobicContact CB-CB 4.22Å; C108-F126 HydrophobicContact CB-CD1 4.14Å; C108-F126 HydrophobicContact CB-CG 4.36Å; C108-F126 WeakPolarHBondContact O-CD1 3.48Å; F126-S128 PolarHBondContact O-N 3.04Å; F126-G131 VanDerWaalsContact CE2-O 3.31Å; F126-G131 WeakPolarHBondContact CE2-O 3.46Å; F126-N146 PolarHBondContact N-OD1 3.23Å; F126-N146 PolarHBondContact O-ND2 3.44Å; F126-C158 HydrophobicContact CB-CB 3.72Å; F126-C158 HydrophobicContact CD1-CB 4.39Å; F126-C158 HydrophobicContact CD2-CB 3.62Å; F126-C158 HydrophobicContact CE2-CB 4.34Å; F126-C158 HydrophobicContact CG-CB 3.64Å; F126-Q159 HydrophobicContact CD2-CG 4.48Å; F126-Q159 HydrophobicContact CE2-CG 4.13Å
127	N	83.1	Confident	75.7	Confident	27 Å²	27	66.3 Å²	66.3	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	104	172.9	-173.9	-17.6	0	0	0	109	F125 E129 T130 G131 N132 E134	F125-N127 HydrophobicContact CD2-CB 4.32Å; F125-N127 HydrophobicContact CE2-CB 3.53Å; F125-N127 HydrophobicContact CZ-CB 3.8Å; F125-N127 PolarHBondContact O-N 3.39Å; N127-E129 PolarHBondContact O-N 3.25Å; N127-E129 WeakPolarHBondContact OD1-CB 3.4Å; N127-E129 PolarHBondContact OD1-N 3Å; N127-T130 WeakPolarHBondContact CB-OG1 3.4Å; N127-T130 PolarHBondContact O-N 2.91Å; N127-T130 PolarHBondContact OD1-N 3.26Å; N127-G131 WeakPolarHBondContact O-CA 3.5Å; N127-G131 PolarHBondContact O-N 3.07Å; N127-N132 PolarHBondContact N-O 2.9Å; N127-N132 PolarHBondContact O-N 3.43Å; N127-E134 HydrophobicContact CB-CG 4.26Å; N127-E134 PolarHBondContact ND2-OE1 2.88Å; N127-E134 PolarHBondContact ND2-OE2 2.8Å
128	S	67.8	Low	76.3	Confident	75 Å²	75	67.1 Å²	67.1	52%	0.524	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.5	-178.7	57.4	0	0	0	0	114.1	F126	F126-S128 PolarHBondContact O-N 3.04Å
129	E	66.1	Low	76.6	Confident	184 Å²	184	66.1 Å²	66.1	86%	0.86	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-35.9	173.8	-59.3	-172.5	162.7	0	0	112.2	N127	N127-E129 PolarHBondContact O-N 3.25Å; N127-E129 WeakPolarHBondContact OD1-CB 3.4Å; N127-E129 PolarHBondContact OD1-N 3Å
130	T	68.9	Low	77	Confident	69 Å²	69	63.7 Å²	63.7	42%	0.423	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-17.3	178.3	70.5	0	0	0	0	113.1	N127 N132 E134	N127-T130 WeakPolarHBondContact CB-OG1 3.4Å; N127-T130 PolarHBondContact O-N 2.91Å; N127-T130 PolarHBondContact OD1-N 3.26Å; T130-N132 VanDerWaalsContact C-N 3.31Å; T130-N132 PolarHBondContact O-ND2 2.61Å; T130-N132 PolarHBondContact OG1-N 3.08Å; T130-E134 WeakPolarHBondContact CB-OE1 3.04Å; T130-E134 VanDerWaalsContact CG2-OE1 3.29Å; T130-E134 WeakPolarHBondContact CG2-OE1 3.41Å; T130-E134 PolarHBondContact OG1-OE1 3.07Å
131	G	63.2	Low	77.4	Confident	34 Å²	34	67.1 Å²	67.1	35%	0.351	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	13.7	-174.8	0	0	0	0	0	114.4	F126 N127	F126-G131 VanDerWaalsContact CE2-O 3.31Å; F126-G131 WeakPolarHBondContact CE2-O 3.46Å; N127-G131 WeakPolarHBondContact O-CA 3.5Å; N127-G131 PolarHBondContact O-N 3.07Å
132	N	67.3	Low	77.8	Confident	85 Å²	85	66.1 Å²	66.1	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156	-172.1	-62.9	-62.5	0	0	0	113	N127 T130 E134	N127-N132 PolarHBondContact N-O 2.9Å; N127-N132 PolarHBondContact O-N 3.43Å; T130-N132 VanDerWaalsContact C-N 3.31Å; T130-N132 PolarHBondContact O-ND2 2.61Å; T130-N132 PolarHBondContact OG1-N 3.08Å; N132-E134 HydrophobicContact CB-CG 4.38Å
133	C	80.5	Confident	77.4	Confident	8 Å²	8	64 Å²	64	5%	0.054	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.3	165.2	-75.8	0	0	0	0	109.6	F125 Y151 C154 D155	F125-C133 CarbonylContact O-C 3.5Å; F125-C133 WeakPolarHBondContact O-CA 3.48Å; C133-Y151 HydrophobicContact CB-CD2 3.97Å; C133-Y151 HydrophobicContact CB-CE2 3.92Å; C133-C154 HydrophobicContact CB-CB 3.75Å; C133-C154 WeakPolarHBondContact CB-SG 3Å; C133-C154 WeakPolarHBondContact SG-CB 3.03Å; C133-C154 CovalentContact SG-SG 2.04Å; C133-C154 PolarHBondContact SG-SG 2.84Å; C133-D155 PolarHBondContact SG-N 3.38Å
134	E	81.6	Confident	77	Confident	62 Å²	62	63.2 Å²	63.2	29%	0.29	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.1	-174.7	-71.7	173.1	-166.2	0	0	111.1	W124 F125 N127 T130 N132	W124-E134 CarbonylContact C-O 3.47Å; W124-E134 VanDerWaalsContact CA-O 3.29Å; W124-E134 WeakPolarHBondContact CA-O 3.49Å; F125-E134 HydrophobicContact CD1-CB 4.25Å; F125-E134 VanDerWaalsContact CD1-O 3.3Å; F125-E134 WeakPolarHBondContact CD1-O 2.96Å; F125-E134 HydrophobicContact CE1-CB 3.7Å; F125-E134 HydrophobicContact CZ-CB 4.15Å; F125-E134 PolarHBondContact N-O 2.74Å; F125-E134 PolarHBondContact O-N 3.32Å; N127-E134 HydrophobicContact CB-CG 4.26Å; N127-E134 PolarHBondContact ND2-OE1 2.88Å; N127-E134 PolarHBondContact ND2-OE2 2.8Å; T130-E134 WeakPolarHBondContact CB-OE1 3.04Å; T130-E134 VanDerWaalsContact CG2-OE1 3.29Å; T130-E134 WeakPolarHBondContact CG2-OE1 3.41Å; T130-E134 PolarHBondContact OG1-OE1 3.07Å; N132-E134 HydrophobicContact CB-CG 4.38Å
135	I	86.3	Confident	76.8	Confident	87 Å²	87	61 Å²	61	45%	0.446	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.1	179.6	-162.3	173.7	0	0	0	111.1	P122 R123 W124	P122-I135 HydrophobicContact CB-CD1 4.01Å; P122-I135 HydrophobicContact CB-CG1 4.41Å; R123-I135 CarbonylContact O-C 3.54Å; R123-I135 WeakPolarHBondContact O-CA 3.41Å; R123-I135 WeakPolarHBondContact O-CG1 3.46Å; W124-I135 HydrophobicContact CD2-CB 4.18Å; W124-I135 HydrophobicContact CD2-CG1 4.41Å; W124-I135 HydrophobicContact CE3-CB 4.06Å; W124-I135 HydrophobicContact CH2-CB 4.09Å; W124-I135 HydrophobicContact CZ2-CB 4.18Å; W124-I135 HydrophobicContact CZ2-CD1 4.06Å; W124-I135 HydrophobicContact CZ2-CG1 4.3Å; W124-I135 HydrophobicContact CZ3-CB 4.03Å
136	F	86.9	Confident	76.7	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	168.2	172.1	80.6	-69.9	0	0	0	110.5	K112 E113 D114 R123 F125 N147	K112-F136 HydrophobicContact CD-CB 4.2Å; E113-F136 WeakPolarHBondContact O-CE2 3.47Å; D114-F136 WeakPolarHBondContact OD1-CD2 3.41Å; R123-F136 HydrophobicContact CB-CD1 3.96Å; R123-F136 HydrophobicContact CB-CE1 3.49Å; R123-F136 VanDerWaalsContact CB-CE1 3.49Å; R123-F136 HydrophobicContact CB-CZ 3.92Å; R123-F136 PolarHBondContact N-O 2.85Å; R123-F136 WeakPolarHBondContact O-CD1 3.38Å; R123-F136 PolarHBondContact O-N 3.07Å; F125-F136 HydrophobicContact CB-CD1 3.86Å; F125-F136 HydrophobicContact CB-CE1 3.79Å; F125-F136 HydrophobicContact CD1-CB 3.92Å; F125-F136 AromaticContact CD1-CD1 3.66Å; F125-F136 HydrophobicContact CD1-CD1 3.66Å; F125-F136 HydrophobicContact CD1-CE1 4.44Å; F125-F136 AromaticContact CD1-CG 4Å; F125-F136 HydrophobicContact CD1-CG 4Å; F125-F136 HydrophobicContact CE1-CB 4.18Å; F125-F136 HydrophobicContact CG-CD1 4.16Å; F136-N147 HydrophobicContact CZ-CB 3.98Å
137	F	83	Confident	77.1	Confident	119 Å²	119	60.5 Å²	60.5	52%	0.522	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	90.7	-175.9	-66.2	-81.3	0	0	0	111	A120 M121 P122 R139	A120-F137 HydrophobicContact CB-CB 4.22Å; M121-F137 CarbonylContact O-C 3.51Å; M121-F137 WeakPolarHBondContact O-CA 3.49Å; P122-F137 HydrophobicContact CB-CD1 4.24Å; P122-F137 HydrophobicContact CB-CE1 4.02Å; F137-R139 PolarHBondContact O-N 2.9Å
138	Y	81.4	Confident	77.2	Confident	29 Å²	29	60.1 Å²	60.1	11%	0.114	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.6	176.1	172.3	-115.4	0	0	0	110.9	D114 M121 R123 G140 Q141 G142 N147	D114-Y138 CarbonylContact O-C 3.53Å; D114-Y138 WeakPolarHBondContact O-CA 3.38Å; M121-Y138 WeakPolarHBondContact CA-O 3.36Å; M121-Y138 WeakPolarHBondContact CB-O 3.39Å; M121-Y138 PolarHBondContact N-O 3.11Å; M121-Y138 PolarHBondContact O-N 2.92Å; R123-Y138 HydrophobicContact CG-CD1 4.33Å; R123-Y138 HydrophobicContact CG-CG 4.39Å; Y138-G140 VanDerWaalsContact CE1-CA 3.41Å; Y138-G140 PolarHBondContact O-N 3.19Å; Y138-G140 VanDerWaalsContact O-N 3.09Å; Y138-G140 VanDerWaalsContact OH-C 3.26Å; Y138-G140 PolarHBondContact OH-O 2.81Å; Y138-Q141 WeakPolarHBondContact OH-CA 3.5Å; Y138-Q141 PolarHBondContact OH-N 3.39Å; Y138-G142 WeakPolarHBondContact CE2-O 3.15Å; Y138-G142 PolarHBondContact OH-N 3.04Å; Y138-G142 PolarHBondContact OH-O 3.03Å; Y138-N147 WeakPolarHBondContact CD2-ND2 3.36Å
139	R	77.9	Confident	77.7	Confident	129 Å²	129	62 Å²	62	49%	0.487	35%	0.346	S	S	.	.			trans	-77.3	8.1	-170.5	-65.5	-168.7	-176.7	-177.2	0.8	115.5	D114 G115 G117 V119 F137 Q141	D114-R139 VanDerWaalsContact O-CB 3.3Å; D114-R139 WeakPolarHBondContact O-CB 3.25Å; D114-R139 WeakPolarHBondContact O-CG 3.09Å; D114-R139 PolarHBondContact O-N 2.77Å; G115-R139 WeakPolarHBondContact O-CD 3.29Å; G117-R139 CarbonylContact C-O 3.51Å; G117-R139 VanDerWaalsContact C-O 3.3Å; G117-R139 WeakPolarHBondContact CA-O 3.44Å; G117-R139 WeakPolarHBondContact O-CB 3.27Å; G117-R139 WeakPolarHBondContact O-CD 3.3Å; V119-R139 PolarHBondContact N-O 3.37Å; V119-R139 CarbonylContact O-C 3.52Å; V119-R139 WeakPolarHBondContact O-CA 3.49Å; V119-R139 VanDerWaalsContact O-O 3.13Å; F137-R139 PolarHBondContact O-N 2.9Å; R139-Q141 PolarHBondContact O-N 3.03Å
140	G	66.3	Low	78.5	Confident	39 Å²	39	55.7 Å²	55.7	40%	0.402	32%	0.32	S	S	.	.	S	Bend	trans	88.4	-8.1	172.5	0	0	0	0	0	115.8	Y138	Y138-G140 VanDerWaalsContact CE1-CA 3.41Å; Y138-G140 PolarHBondContact O-N 3.19Å; Y138-G140 VanDerWaalsContact O-N 3.09Å; Y138-G140 VanDerWaalsContact OH-C 3.26Å; Y138-G140 PolarHBondContact OH-O 2.81Å
141	Q	74.6	Confident	78.7	Confident	138 Å²	138	56.5 Å²	56.5	65%	0.645	32%	0.316	S	S	*	.	S	Bend	trans	-144.4	133.8	179.7	-155.4	171.5	36.4	0	0	111.4	G115 E116 Y138 R139	G115-Q141 CarbonylContact C-O 3.5Å; G115-Q141 WeakPolarHBondContact CA-O 3.34Å; E116-Q141 PolarHBondContact N-O 3.28Å; Y138-Q141 WeakPolarHBondContact OH-CA 3.5Å; Y138-Q141 PolarHBondContact OH-N 3.39Å; R139-Q141 PolarHBondContact O-N 3.03Å
142	G	76.3	Confident	78.7	Confident	55 Å²	55	60.6 Å²	60.6	57%	0.567	33%	0.326	S	S	*	.	S	Bend	trans	91.3	-146.8	-172	0	0	0	0	0	112	Y138	Y138-G142 WeakPolarHBondContact CE2-O 3.15Å; Y138-G142 PolarHBondContact OH-N 3.04Å; Y138-G142 PolarHBondContact OH-O 3.03Å
143	G	70.7	Confident	78.9	Confident	30 Å²	30	58.2 Å²	58.2	31%	0.309	32%	0.318	S	S	.	.			trans	80	163.7	175.4	0	0	0	0	0	114.7	E113	E113-G143 VanDerWaalsContact OE2-CA 3.27Å; E113-G143 WeakPolarHBondContact OE2-CA 3.32Å; E113-G143 PolarHBondContact OE2-N 3.38Å
144	N	82.7	Confident	78.8	Confident	34 Å²	34	57.9 Å²	57.9	18%	0.182	32%	0.316	C	S	.	.			trans	-119.6	-173.9	-179.4	67.6	47.2	0	0	0	111.7	L110 P111 E113 N146 N147	L110-N144 HydrophobicContact CD1-CB 3.97Å; P111-N144 PolarHBondContact O-ND2 3.26Å; P111-N144 PolarHBondContact O-OD1 3.45Å; E113-N144 VanDerWaalsContact CD-ND2 3.28Å; E113-N144 WeakPolarHBondContact CG-ND2 3.23Å; E113-N144 PolarHBondContact OE1-ND2 3.22Å; N144-N146 PolarHBondContact O-N 3.46Å; N144-N146 PolarHBondContact OD1-N 2.96Å; N144-N147 VanDerWaalsContact O-CB 3.25Å; N144-N147 WeakPolarHBondContact O-CB 3.46Å
145	G	80.4	Confident	78.1	Confident	26 Å²	26	55.9 Å²	55.9	27%	0.268	31%	0.307	S	S	.	.	S	Bend	trans	-65.4	-17.9	-174	0	0	0	0	0	115.6	N147	G145-N147 PolarHBondContact O-N 2.74Å
146	N	86.7	Confident	76.8	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.011	32%	0.323	C	S	.	.			trans	-78	54	177.3	-152.5	0.2	0	0	0	111.4	D107 C108 L110 F125 F126 N144	D107-N146 VanDerWaalsContact O-CB 3.29Å; D107-N146 WeakPolarHBondContact O-CB 3.35Å; C108-N146 PolarHBondContact O-ND2 2.04Å; L110-N146 HydrophobicContact CB-CB 4.24Å; L110-N146 WeakPolarHBondContact O-CB 3.22Å; L110-N146 PolarHBondContact O-ND2 2.89Å; F125-N146 WeakPolarHBondContact CA-OD1 3.49Å; F125-N146 HydrophobicContact CB-CB 4.45Å; F125-N146 WeakPolarHBondContact CB-O 3.3Å; F126-N146 PolarHBondContact N-OD1 3.23Å; F126-N146 PolarHBondContact O-ND2 3.44Å; N144-N146 PolarHBondContact O-N 3.46Å; N144-N146 PolarHBondContact OD1-N 2.96Å
147	N	87.1	Confident	75.9	Confident	30 Å²	30	60.3 Å²	60.3	16%	0.16	33%	0.333	C	S	.	.			trans	-149.1	81.4	-167	-175.5	-15.8	0	0	0	110.2	R123 F136 Y138 N144 G145	R123-N147 WeakPolarHBondContact CB-OD1 3.38Å; R123-N147 WeakPolarHBondContact CD-OD1 3.1Å; R123-N147 WeakPolarHBondContact CG-OD1 3.47Å; F136-N147 HydrophobicContact CZ-CB 3.98Å; Y138-N147 WeakPolarHBondContact CD2-ND2 3.36Å; N144-N147 VanDerWaalsContact O-CB 3.25Å; N144-N147 WeakPolarHBondContact O-CB 3.46Å; G145-N147 PolarHBondContact O-N 2.74Å
148	F	85.4	Confident	75.3	Confident	19 Å²	19	55.4 Å²	55.4	8%	0.083	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-95.6	144.6	-176.1	-57.5	-84.1	0	0	0	111.2	R123 W124 A153 C154 V157 C158	R123-F148 WeakPolarHBondContact CA-O 3.38Å; R123-F148 WeakPolarHBondContact CD-O 3.37Å; W124-F148 HydrophobicContact CB-CB 4.36Å; W124-F148 PolarHBondContact N-O 3.33Å; W124-F148 WeakPolarHBondContact O-CB 3.47Å; W124-F148 WeakPolarHBondContact O-CD2 3.24Å; W124-F148 PolarHBondContact O-N 2.82Å; F148-A153 HydrophobicContact CB-CB 4.31Å; F148-C154 HydrophobicContact CB-CB 3.67Å; F148-C154 HydrophobicContact CD1-CB 4.4Å; F148-C154 HydrophobicContact CD2-CB 3.46Å; F148-C154 VanDerWaalsContact CD2-CB 3.46Å; F148-C154 HydrophobicContact CE2-CB 4.22Å; F148-C154 HydrophobicContact CG-CB 3.58Å; F148-V157 HydrophobicContact CE1-CB 3.91Å; F148-V157 HydrophobicContact CE1-CG1 3.96Å; F148-V157 HydrophobicContact CE1-CG2 4.19Å; F148-V157 HydrophobicContact CZ-CB 4.34Å; F148-V157 HydrophobicContact CZ-CG1 4.14Å; F148-C158 VanDerWaalsContact CE2-SG 3.53Å; F148-C158 WeakPolarHBondContact CZ-SG 3.1Å
149	L	79.2	Confident	74.4	Confident	115 Å²	115	55.8 Å²	55.8	60%	0.602	32%	0.316	S	S	*	.	S	Bend	trans	-70.9	-36.5	-178.2	-176.8	63.5	0	0	0	112.6
150	T	81.5	Confident	73.3	Confident	52 Å²	52	52.3 Å²	52.3	32%	0.319	32%	0.315	S	S	.	.	S	Bend	trans	-131.4	162.2	-179.2	83	0	0	0	0	110.7	E152 A153 C154	T150-E152 VanDerWaalsContact C-N 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.44Å; T150-E152 PolarHBondContact O-N 2.78Å; T150-E152 PolarHBondContact OG1-N 3.42Å; T150-E152 PolarHBondContact OG1-OE2 3.16Å; T150-A153 PolarHBondContact O-N 2.92Å; T150-A153 PolarHBondContact OG1-N 2.85Å; T150-A153 VanDerWaalsContact OG1-N 3.17Å; T150-C154 PolarHBondContact O-N 3.48Å
151	Y	73.9	Confident	73	Confident	86 Å²	86	54.7 Å²	54.7	34%	0.337	32%	0.318	S	S	.	.	H	α-helix	trans	-57	-46.8	173.8	172.1	-99.2	0	0	0	110.4	W124 C133 A153 C154 D155	W124-Y151 VanDerWaalsContact CD1-N 3.35Å; W124-Y151 HydrophobicContact CD2-CD2 4.4Å; W124-Y151 AromaticContact CE3-CD2 3.76Å; W124-Y151 HydrophobicContact CE3-CD2 3.76Å; W124-Y151 HydrophobicContact CE3-CG 4.42Å; W124-Y151 HydrophobicContact CH2-CD2 4.3Å; W124-Y151 AromaticContact CZ3-CD2 3.7Å; W124-Y151 HydrophobicContact CZ3-CD2 3.7Å; W124-Y151 HydrophobicContact CZ3-CG 4.39Å; C133-Y151 HydrophobicContact CB-CD2 3.97Å; C133-Y151 HydrophobicContact CB-CE2 3.92Å; Y151-A153 VanDerWaalsContact C-N 3.25Å; Y151-A153 PolarHBondContact O-N 3Å; Y151-C154 PolarHBondContact O-N 2.92Å; Y151-D155 HydrophobicContact CE1-CB 4.3Å; Y151-D155 WeakPolarHBondContact O-CB 3.38Å; Y151-D155 PolarHBondContact O-N 3.46Å
152	E	62.5	Low	72.9	Confident	120 Å²	120	49.6 Å²	49.6	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-61.2	-33.5	-179.8	-51.8	71.9	-154	0	0	112.1	T150 L156	T150-E152 VanDerWaalsContact C-N 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.44Å; T150-E152 PolarHBondContact O-N 2.78Å; T150-E152 PolarHBondContact OG1-N 3.42Å; T150-E152 PolarHBondContact OG1-OE2 3.16Å; E152-L156 WeakPolarHBondContact O-CB 3.23Å; E152-L156 PolarHBondContact O-N 2.81Å
153	A	72.5	Confident	73.1	Confident	35 Å²	35	47.7 Å²	47.7	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-72	-40.9	178	0	0	0	0	0	112.6	F148 T150 Y151 D155 V157	F148-A153 HydrophobicContact CB-CB 4.31Å; T150-A153 PolarHBondContact O-N 2.92Å; T150-A153 PolarHBondContact OG1-N 2.85Å; T150-A153 VanDerWaalsContact OG1-N 3.17Å; Y151-A153 VanDerWaalsContact C-N 3.25Å; Y151-A153 PolarHBondContact O-N 3Å; A153-D155 VanDerWaalsContact C-N 3.34Å; A153-V157 VanDerWaalsContact O-CG2 3.28Å; A153-V157 WeakPolarHBondContact O-CG2 3.38Å
154	C	78.7	Confident	73.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-46.7	170.2	178.6	0	0	0	0	110.5	W124 C133 F148 T150 Y151 V157 C158	W124-C154 HydrophobicContact CB-CB 4.04Å; C133-C154 HydrophobicContact CB-CB 3.75Å; C133-C154 WeakPolarHBondContact CB-SG 3Å; C133-C154 WeakPolarHBondContact SG-CB 3.03Å; C133-C154 CovalentContact SG-SG 2.04Å; C133-C154 PolarHBondContact SG-SG 2.84Å; F148-C154 HydrophobicContact CB-CB 3.67Å; F148-C154 HydrophobicContact CD1-CB 4.4Å; F148-C154 HydrophobicContact CD2-CB 3.46Å; F148-C154 VanDerWaalsContact CD2-CB 3.46Å; F148-C154 HydrophobicContact CE2-CB 4.22Å; F148-C154 HydrophobicContact CG-CB 3.58Å; T150-C154 PolarHBondContact O-N 3.48Å; Y151-C154 PolarHBondContact O-N 2.92Å; C154-V157 PolarHBondContact O-N 3.39Å; C154-C158 VanDerWaalsContact O-CB 3.29Å; C154-C158 WeakPolarHBondContact O-CB 3.46Å; C154-C158 PolarHBondContact O-N 3.14Å
155	D	66.8	Low	73.2	Confident	20 Å²	20	51.6 Å²	51.6	11%	0.107	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-45.6	-172.2	-174.2	49.5	0	0	0	112.9	C133 Y151 A153 V157 Q159 R200	C133-D155 PolarHBondContact SG-N 3.38Å; Y151-D155 HydrophobicContact CE1-CB 4.3Å; Y151-D155 WeakPolarHBondContact O-CB 3.38Å; Y151-D155 PolarHBondContact O-N 3.46Å; A153-D155 VanDerWaalsContact C-N 3.34Å; D155-V157 VanDerWaalsContact C-N 3.29Å; D155-V157 PolarHBondContact O-N 3.5Å; D155-Q159 WeakPolarHBondContact O-CB 3.2Å; D155-Q159 PolarHBondContact O-N 2.98Å; D155-Q159 VanDerWaalsContact O-N 3.09Å; D155-Q159 WeakPolarHBondContact OD1-CG 3.35Å; D155-Q159 PolarHBondContact OD1-NE2 3.45Å; D155-Q159 PolarHBondContact OD1-OE1 3.4Å; D155-R200 IonicContact OD1-CZ 3.29Å; D155-R200 IonicContact OD1-NE 2.72Å; D155-R200 IonicContact OD1-NH1 3.39Å; D155-R200 PolarHBondContact OD1-NH1 2.8Å; D155-R200 IonicContact OD1-NH2 3.11Å; D155-R200 PolarHBondContact OD1-NH2 3.23Å; D155-R200 IonicContact OD2-CZ 2.73Å; D155-R200 IonicContact OD2-NH1 2.8Å; D155-R200 PolarHBondContact OD2-NH1 3.3Å; D155-R200 IonicContact OD2-NH2 3.54Å; D155-R200 PolarHBondContact OD2-NH2 2.81Å
156	L	59.5	Low	73	Confident	150 Å²	150	55.1 Å²	55.1	79%	0.785	30%	0.304	S	S	*	.	H	α-helix	trans	-63.8	-33	177.3	-171.5	80.1	0	0	0	112.8	E152	E152-L156 WeakPolarHBondContact O-CB 3.23Å; E152-L156 PolarHBondContact O-N 2.81Å
157	V	67.8	Low	72.9	Confident	39 Å²	39	60.3 Å²	60.3	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-88.3	-43.9	-175.7	175	0	0	0	0	111.6	K104 F148 A153 C154 D155	K104-V157 HydrophobicContact CB-CG1 3.8Å; K104-V157 VanDerWaalsContact O-CG1 3.3Å; K104-V157 WeakPolarHBondContact O-CG1 3.03Å; F148-V157 HydrophobicContact CE1-CB 3.91Å; F148-V157 HydrophobicContact CE1-CG1 3.96Å; F148-V157 HydrophobicContact CE1-CG2 4.19Å; F148-V157 HydrophobicContact CZ-CB 4.34Å; F148-V157 HydrophobicContact CZ-CG1 4.14Å; A153-V157 VanDerWaalsContact O-CG2 3.28Å; A153-V157 WeakPolarHBondContact O-CG2 3.38Å; C154-V157 PolarHBondContact O-N 3.39Å; D155-V157 VanDerWaalsContact C-N 3.29Å; D155-V157 PolarHBondContact O-N 3.5Å
158	C	69.9	Low	72.7	Confident	16 Å²	16	62 Å²	62	11%	0.108	34%	0.336	C	S	.	.	H	α-helix	trans	-97.2	-23.6	-169.4	-61.1	0	0	0	0	114.8	C108 F126 F148 C154	C108-C158 HydrophobicContact CB-CB 3.64Å; C108-C158 WeakPolarHBondContact CB-SG 3.45Å; C108-C158 WeakPolarHBondContact SG-CA 3.35Å; C108-C158 WeakPolarHBondContact SG-CB 3.5Å; C108-C158 CovalentContact SG-SG 2.03Å; C108-C158 PolarHBondContact SG-SG 3.44Å; F126-C158 HydrophobicContact CB-CB 3.72Å; F126-C158 HydrophobicContact CD1-CB 4.39Å; F126-C158 HydrophobicContact CD2-CB 3.62Å; F126-C158 HydrophobicContact CE2-CB 4.34Å; F126-C158 HydrophobicContact CG-CB 3.64Å; F148-C158 VanDerWaalsContact CE2-SG 3.53Å; F148-C158 WeakPolarHBondContact CZ-SG 3.1Å; C154-C158 VanDerWaalsContact O-CB 3.29Å; C154-C158 WeakPolarHBondContact O-CB 3.46Å; C154-C158 PolarHBondContact O-N 3.14Å
159	Q	61.5	Low	72.6	Confident	36 Å²	36	63.4 Å²	63.4	17%	0.168	35%	0.348	C	S	.	.	S	Bend	trans	-93.6	118.2	-178.9	-54.5	-157.4	14.9	0	0	111.4	F126 D155	F126-Q159 HydrophobicContact CD2-CG 4.48Å; F126-Q159 HydrophobicContact CE2-CG 4.13Å; D155-Q159 WeakPolarHBondContact O-CB 3.2Å; D155-Q159 PolarHBondContact O-N 2.98Å; D155-Q159 VanDerWaalsContact O-N 3.09Å; D155-Q159 WeakPolarHBondContact OD1-CG 3.35Å; D155-Q159 PolarHBondContact OD1-NE2 3.45Å; D155-Q159 PolarHBondContact OD1-OE1 3.4Å
160	A	55.5	Low	72.8	Confident	57 Å²	57	58.8 Å²	58.8	47%	0.471	33%	0.328	S	S	.	.			trans	-59.5	151.1	-174.5	0	0	0	0	0	113.6	P162 Q165	A160-P162 WeakPolarHBondContact O-CD 3.39Å; A160-P162 VanDerWaalsContact O-N 3.16Å; A160-Q165 PolarHBondContact O-NE2 3.29Å
161	N	60.6	Low	72.6	Confident	89 Å²	89	63.8 Å²	63.8	48%	0.476	35%	0.351	S	S	.	.			trans	-44.9	118	-178.3	175.7	-10.3	0	0	0	112	C163 I164	N161-C163 PolarHBondContact O-N 3.1Å; N161-C163 VanDerWaalsContact O-N 3.13Å; N161-C163 WeakPolarHBondContact OD1-CB 3.44Å; N161-C163 PolarHBondContact OD1-N 3.19Å; N161-C163 PolarHBondContact OD1-SG 3.13Å; N161-C163 VanDerWaalsContact OD1-SG 3.38Å; N161-I164 HydrophobicContact CB-CD1 4.37Å; N161-I164 HydrophobicContact CB-CG1 4.08Å; N161-I164 WeakPolarHBondContact O-CG1 3.37Å; N161-I164 PolarHBondContact O-N 3.46Å
162	P	71.7	Confident	72.6	Confident	31 Å²	31	60.8 Å²	60.8	20%	0.201	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-48.8	-41	179.7	-34	38.9	0	0	0	114.7	A160 I164 Q165 R200 N201 F203	A160-P162 WeakPolarHBondContact O-CD 3.39Å; A160-P162 VanDerWaalsContact O-N 3.16Å; P162-I164 PolarHBondContact O-N 2.62Å; P162-Q165 PolarHBondContact O-N 3.33Å; P162-R200 HydrophobicContact CB-CB 4.03Å; P162-R200 WeakPolarHBondContact CB-O 3.27Å; P162-R200 HydrophobicContact CG-CB 3.87Å; P162-N201 VanDerWaalsContact O-CB 3.24Å; P162-N201 WeakPolarHBondContact O-CB 3.27Å; P162-F203 HydrophobicContact CB-CE1 4.26Å; P162-F203 HydrophobicContact CB-CZ 3.77Å
163	C	81.2	Confident	72.9	Confident	15 Å²	15	65.1 Å²	65.1	10%	0.101	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-69.2	-16.7	-170.8	-43.8	0	0	0	0	113.9	N161 F181 C213	N161-C163 PolarHBondContact O-N 3.1Å; N161-C163 VanDerWaalsContact O-N 3.13Å; N161-C163 WeakPolarHBondContact OD1-CB 3.44Å; N161-C163 PolarHBondContact OD1-N 3.19Å; N161-C163 PolarHBondContact OD1-SG 3.13Å; N161-C163 VanDerWaalsContact OD1-SG 3.38Å; C163-F181 HydrophobicContact CB-CB 4.29Å; C163-F181 HydrophobicContact CB-CD1 3.89Å; C163-F181 HydrophobicContact CB-CG 4.27Å; C163-C213 HydrophobicContact CB-CB 3.88Å; C163-C213 WeakPolarHBondContact CB-SG 3.28Å; C163-C213 VanDerWaalsContact SG-CA 3.57Å; C163-C213 WeakPolarHBondContact SG-CB 3.04Å; C163-C213 CovalentContact SG-SG 2.03Å; C163-C213 PolarHBondContact SG-SG 3.31Å
164	I	77.8	Confident	72.3	Confident	104 Å²	104	69 Å²	69	53%	0.533	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-100.4	-7.3	178.4	62	165.6	0	0	0	113.5	N161 P162 L183	N161-I164 HydrophobicContact CB-CD1 4.37Å; N161-I164 HydrophobicContact CB-CG1 4.08Å; N161-I164 WeakPolarHBondContact O-CG1 3.37Å; N161-I164 PolarHBondContact O-N 3.46Å; P162-I164 PolarHBondContact O-N 2.62Å; I164-L183 HydrophobicContact CG2-CD1 3.98Å
165	Q	77.5	Confident	72.2	Confident	42 Å²	42	76.9 Å²	76.9	20%	0.196	42%	0.416	C	S	.	.	S	Bend	trans	-75.3	146.5	179.1	-65.5	179.6	-16.3	0	0	110.6	A160 P162 N201	A160-Q165 PolarHBondContact O-NE2 3.29Å; P162-Q165 PolarHBondContact O-N 3.33Å; Q165-N201 HydrophobicContact CB-CB 4.19Å; Q165-N201 PolarHBondContact O-ND2 3.21Å
166	P	76.7	Confident	72.8	Confident	99 Å²	99	78.3 Å²	78.3	64%	0.643	43%	0.425	S	S	*	.			trans	-64.9	161.4	176	29.2	-35.7	0	0	0	110.9	D168 N199	P166-D168 PolarHBondContact O-N 3.42Å; P166-D168 VanDerWaalsContact O-N 3.11Å; P166-N199 PolarHBondContact O-ND2 2.97Å; P166-N199 PolarHBondContact O-OD1 2.81Å
167	K	83.1	Confident	73.6	Confident	111 Å²	111	76.1 Å²	76.1	48%	0.483	41%	0.413	S	S	.	.			trans	-68.1	108.8	172.1	-178.1	-163.6	74.2	-161.1	0	110.4	Y180 F191	K167-Y180 HydrophobicContact CB-CD1 4.46Å; K167-Y180 HydrophobicContact CB-CD2 3.78Å; K167-Y180 HydrophobicContact CB-CE1 4.43Å; K167-Y180 HydrophobicContact CB-CE2 3.74Å; K167-Y180 HydrophobicContact CB-CG 4.16Å; K167-Y180 HydrophobicContact CD-CD1 4.13Å; K167-Y180 HydrophobicContact CD-CE1 3.72Å; K167-Y180 HydrophobicContact CD-CE2 4.4Å; K167-Y180 HydrophobicContact CG-CD1 3.98Å; K167-Y180 HydrophobicContact CG-CD2 4.19Å; K167-Y180 HydrophobicContact CG-CE1 4.04Å; K167-Y180 HydrophobicContact CG-CE2 4.25Å; K167-Y180 HydrophobicContact CG-CG 4.07Å; K167-F191 HydrophobicContact CD-CB 3.88Å; K167-F191 HydrophobicContact CD-CG 4.36Å; K167-F191 HydrophobicContact CG-CB 4.1Å; K167-F191 HydrophobicContact CG-CD2 4.06Å; K167-F191 HydrophobicContact CG-CG 4.02Å
168	D	84.2	Confident	74.7	Confident	67 Å²	67	77 Å²	77	36%	0.358	41%	0.412	S	S	.	.			trans	-112	122	176.2	-177.7	3	0	0	0	111.3	P166 G170 F191 G198 N199	P166-D168 PolarHBondContact O-N 3.42Å; P166-D168 VanDerWaalsContact O-N 3.11Å; D168-G170 VanDerWaalsContact C-N 3.34Å; D168-G170 PolarHBondContact OD1-N 3.38Å; D168-F191 WeakPolarHBondContact O-CE2 3.47Å; D168-G198 VanDerWaalsContact OD2-CA 3.26Å; D168-G198 WeakPolarHBondContact OD2-CA 3.45Å; D168-N199 HydrophobicContact CB-CB 4.28Å; D168-N199 VanDerWaalsContact CB-ND2 3.32Å; D168-N199 WeakPolarHBondContact CB-ND2 3.38Å
169	S	83.6	Confident	75.6	Confident	48 Å²	48	78.2 Å²	78.2	34%	0.336	42%	0.416	S	S	.	.			trans	-82.6	-10.3	-178	-52.1	0	0	0	0	113.1	T192 T194	S169-T192 WeakPolarHBondContact CB-O 3.38Å; S169-T194 WeakPolarHBondContact O-CB 3.12Å; S169-T194 VanDerWaalsContact O-CG2 3.31Å; S169-T194 WeakPolarHBondContact O-CG2 3.46Å; S169-T194 PolarHBondContact O-N 3.46Å; S169-T194 PolarHBondContact O-OG1 2.75Å
170	G	82.7	Confident	77	Confident	18 Å²	18	78 Å²	78	19%	0.186	41%	0.413	C	S	.	.			trans	74.1	-173.1	-174.6	0	0	0	0	0	114.2	D168 T194 A196 G198	D168-G170 VanDerWaalsContact C-N 3.34Å; D168-G170 PolarHBondContact OD1-N 3.38Å; G170-T194 WeakPolarHBondContact CA-OG1 3.4Å; G170-T194 PolarHBondContact O-OG1 2.87Å; G170-A196 CarbonylContact C-O 3.6Å; G170-A196 WeakPolarHBondContact CA-O 3.43Å; G170-G198 VanDerWaalsContact CA-N 3.33Å
171	I	77	Confident	78.4	Confident	156 Å²	156	75.6 Å²	75.6	80%	0.8	39%	0.392	S	S	*	.	S	Bend	trans	-120	5.5	-170.2	59.7	166.6	0	0	0	114.5	T194 A196	I171-T194 PolarHBondContact N-OG1 3.44Å; I171-T194 VanDerWaalsContact N-OG1 3.11Å; I171-A196 PolarHBondContact N-O 3.41Å
172	G	73.7	Confident	79.4	Confident	23 Å²	23	72.8 Å²	72.8	24%	0.237	38%	0.377	C	S	.	.			trans	-76.3	-168.8	-179	0	0	0	0	0	114.3	T194 A196	G172-T194 CarbonylContact C-O 3.55Å; G172-T194 VanDerWaalsContact C-O 3.28Å; G172-T194 VanDerWaalsContact CA-O 3.26Å; G172-T194 WeakPolarHBondContact CA-O 3.46Å; G172-T194 PolarHBondContact N-OG1 3.12Å; G172-T194 WeakPolarHBondContact O-CB 3.22Å; G172-A196 PolarHBondContact N-O 3.36Å
173	K	68.3	Low	79.6	Confident	212 Å²	212	75.2 Å²	75.2	92%	0.922	39%	0.388	S	S	*	.	S	Bend	trans	-121.3	-6.2	177.7	-63.2	-174.6	-178.3	179.7	0	114.6	T194	K173-T194 PolarHBondContact N-O 2.03Å
174	L	61	Low	79	Confident	117 Å²	117	84.5 Å²	84.5	61%	0.613	42%	0.423	S	S	*	.			trans	-72.9	169.8	172.1	-64.5	165.8	0	0	0	109.2	V176 T194	L174-V176 HydrophobicContact CB-CG2 4.4Å; L174-T194 WeakPolarHBondContact CB-O 3.39Å; L174-T194 PolarHBondContact N-O 2.04Å; L174-T194 CarbonylContact O-C 3.5Å; L174-T194 WeakPolarHBondContact O-CA 3.26Å
175	Q	76.7	Confident	78.8	Confident	165 Å²	165	81.9 Å²	81.9	77%	0.771	41%	0.409	S	S	*	.			trans	-133.7	90.2	170.3	-69.8	-166.1	-7.5	0	0	109.4	T192	Q175-T192 HydrophobicContact CB-CG2 3.73Å; Q175-T192 HydrophobicContact CG-CG2 3.88Å
176	V	77.9	Confident	78.7	Confident	49 Å²	49	86.1 Å²	86.1	30%	0.297	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.2	178.9	-173.7	0	0	0	0	108.2	L174 R178 W193	L174-V176 HydrophobicContact CB-CG2 4.4Å; V176-R178 HydrophobicContact CG1-CG 4.19Å; V176-W193 HydrophobicContact CB-CE3 4.09Å; V176-W193 HydrophobicContact CG2-CE3 4.26Å; V176-W193 PolarHBondContact N-O 3.47Å; V176-W193 PolarHBondContact O-N 2.93Å
177	I	77.5	Confident	78.7	Confident	104 Å²	104	82 Å²	82	53%	0.533	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.8	174.1	-59.8	177.9	0	0	0	108.5
178	R	90.5	Very high	78.8	Confident	57 Å²	57	76.7 Å²	76.7	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	170.8	-178.9	-66.4	-74.8	-177.1	76.3	-1.9	108.8	V176 S190 F191 W193 N202 F203	V176-R178 HydrophobicContact CG1-CG 4.19Å; R178-S190 CarbonylContact O-C 3.59Å; R178-S190 VanDerWaalsContact O-CA 3.31Å; R178-S190 WeakPolarHBondContact O-CA 3.48Å; R178-F191 HydrophobicContact CB-CD1 4.26Å; R178-F191 HydrophobicContact CB-CE1 3.71Å; R178-F191 HydrophobicContact CB-CZ 4.02Å; R178-F191 PolarHBondContact N-O 2.98Å; R178-F191 PolarHBondContact O-N 3.18Å; R178-F191 VanDerWaalsContact O-O 3.1Å; R178-W193 HydrophobicContact CB-CB 4.29Å; R178-W193 HydrophobicContact CG-CB 3.79Å; R178-W193 VanDerWaalsContact CZ-CE3 3.45Å; R178-N202 VanDerWaalsContact CB-OD1 3.24Å; R178-N202 WeakPolarHBondContact CB-OD1 3.3Å; R178-N202 VanDerWaalsContact CD-OD1 3.32Å; R178-N202 WeakPolarHBondContact CD-OD1 3.48Å; R178-N202 WeakPolarHBondContact CG-OD1 3.17Å; R178-N202 PolarHBondContact NH1-OD1 2.79Å; R178-F203 CarbonylContact C-O 3.59Å; R178-F203 WeakPolarHBondContact CA-O 3.44Å
179	F	88.5	Confident	78.7	Confident	43 Å²	43	76.4 Å²	76.4	19%	0.189	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.7	178.8	-63	-94.7	0	0	0	110.9	E189 N202 F203 I206 C209	F179-E189 CarbonylContact C-O 3.5Å; F179-E189 VanDerWaalsContact CA-O 3.24Å; F179-E189 WeakPolarHBondContact CA-O 3.14Å; F179-N202 CarbonylContact O-C 3.56Å; F179-N202 WeakPolarHBondContact O-CA 3.33Å; F179-N202 PolarHBondContact O-N 3.05Å; F179-F203 HydrophobicContact CB-CB 4.36Å; F179-F203 PolarHBondContact N-O 3Å; F179-F203 VanDerWaalsContact O-CD2 3.26Å; F179-F203 WeakPolarHBondContact O-CD2 3.12Å; F179-F203 PolarHBondContact O-N 2.94Å; F179-I206 HydrophobicContact CD1-CB 3.86Å; F179-I206 HydrophobicContact CD1-CG1 4.23Å; F179-I206 VanDerWaalsContact CD2-N 3.35Å; F179-I206 HydrophobicContact CE1-CB 3.74Å; F179-I206 HydrophobicContact CE1-CD1 4.44Å; F179-I206 HydrophobicContact CE1-CG1 4.33Å; F179-I206 HydrophobicContact CE2-CB 4.44Å; F179-I206 HydrophobicContact CG-CB 4.26Å; F179-I206 HydrophobicContact CZ-CB 4.05Å; F179-C209 HydrophobicContact CB-CB 4.07Å
180	Y	90.6	Very high	78.8	Confident	30 Å²	30	76.7 Å²	76.7	12%	0.118	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.5	174.3	83.8	-76.8	0	0	0	109.5	K167 N182 C188 E189 F191 N201	K167-Y180 HydrophobicContact CB-CD1 4.46Å; K167-Y180 HydrophobicContact CB-CD2 3.78Å; K167-Y180 HydrophobicContact CB-CE1 4.43Å; K167-Y180 HydrophobicContact CB-CE2 3.74Å; K167-Y180 HydrophobicContact CB-CG 4.16Å; K167-Y180 HydrophobicContact CD-CD1 4.13Å; K167-Y180 HydrophobicContact CD-CE1 3.72Å; K167-Y180 HydrophobicContact CD-CE2 4.4Å; K167-Y180 HydrophobicContact CG-CD1 3.98Å; K167-Y180 HydrophobicContact CG-CD2 4.19Å; K167-Y180 HydrophobicContact CG-CE1 4.04Å; K167-Y180 HydrophobicContact CG-CE2 4.25Å; K167-Y180 HydrophobicContact CG-CG 4.07Å; Y180-N182 HydrophobicContact CE2-CB 3.95Å; Y180-C188 WeakPolarHBondContact O-CA 3.26Å; Y180-E189 HydrophobicContact CD1-CB 4.06Å; Y180-E189 WeakPolarHBondContact CD1-O 3.16Å; Y180-E189 HydrophobicContact CE1-CB 3.53Å; Y180-E189 PolarHBondContact N-O 3.06Å; Y180-E189 PolarHBondContact O-N 3.01Å; Y180-E189 PolarHBondContact OH-OE2 3.28Å; Y180-F191 HydrophobicContact CD1-CB 4.07Å; Y180-F191 AromaticContact CD1-CD1 3.78Å; Y180-F191 HydrophobicContact CD1-CD1 3.78Å; Y180-F191 HydrophobicContact CD1-CG 4.19Å; Y180-F191 HydrophobicContact CE1-CB 4.42Å; Y180-F191 HydrophobicContact CG-CD1 4.2Å; Y180-N201 WeakPolarHBondContact CA-OD1 3.49Å; Y180-N201 WeakPolarHBondContact CB-O 3.44Å
181	F	85.8	Confident	78.8	Confident	7 Å²	7	76.2 Å²	76.2	3%	0.031	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.7	172.2	-170.5	-103.2	0	0	0	110	C163 L183 R186 N201 C213	C163-F181 HydrophobicContact CB-CB 4.29Å; C163-F181 HydrophobicContact CB-CD1 3.89Å; C163-F181 HydrophobicContact CB-CG 4.27Å; F181-L183 HydrophobicContact CD1-CD1 4.36Å; F181-L183 HydrophobicContact CE1-CD1 4.14Å; F181-L183 PolarHBondContact O-N 2.99Å; F181-R186 HydrophobicContact CZ-CB 4.19Å; F181-N201 PolarHBondContact N-OD1 2.74Å; F181-N201 PolarHBondContact O-ND2 3.23Å; F181-C213 HydrophobicContact CB-CB 3.71Å; F181-C213 HydrophobicContact CD1-CB 4.21Å; F181-C213 HydrophobicContact CD2-CB 3.32Å; F181-C213 HydrophobicContact CE2-CB 3.87Å; F181-C213 WeakPolarHBondContact CE2-O 3.38Å; F181-C213 HydrophobicContact CG-CB 3.49Å; F181-C213 VanDerWaalsContact CG-CB 3.49Å; F181-C213 HydrophobicContact CZ-CB 4.49Å
182	N	81.7	Confident	79.1	Confident	30 Å²	30	70.1 Å²	70.1	16%	0.16	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	103.7	172.4	-177.6	-30	0	0	0	109.1	Y180 Y184 L185 R186 L187 E189	Y180-N182 HydrophobicContact CE2-CB 3.95Å; N182-Y184 PolarHBondContact O-N 3.47Å; N182-Y184 WeakPolarHBondContact OD1-CB 3.22Å; N182-Y184 PolarHBondContact OD1-N 3.22Å; N182-L185 HydrophobicContact CB-CB 4.35Å; N182-L185 PolarHBondContact O-N 3.22Å; N182-L185 PolarHBondContact OD1-N 3.08Å; N182-L185 VanDerWaalsContact OD1-N 3.12Å; N182-R186 WeakPolarHBondContact O-CA 3.33Å; N182-R186 PolarHBondContact O-N 3.24Å; N182-L187 PolarHBondContact N-O 2.88Å; N182-L187 PolarHBondContact O-N 2.77Å; N182-E189 HydrophobicContact CB-CG 4.3Å; N182-E189 WeakPolarHBondContact CB-OE2 3.43Å; N182-E189 PolarHBondContact ND2-OE2 3.46Å
183	L	75.6	Confident	79.4	Confident	82 Å²	82	71 Å²	71	43%	0.429	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.4	-177.6	-161.4	79.4	0	0	0	113.6	I164 F181 R186	I164-L183 HydrophobicContact CG2-CD1 3.98Å; F181-L183 HydrophobicContact CD1-CD1 4.36Å; F181-L183 HydrophobicContact CE1-CD1 4.14Å; F181-L183 PolarHBondContact O-N 2.99Å; L183-R186 WeakPolarHBondContact O-CD 3.24Å; L183-R186 PolarHBondContact O-NE 2.76Å
184	Y	68.8	Low	80	Confident	210 Å²	210	62.2 Å²	62.2	82%	0.824	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-42	179.7	-179.1	-97.5	0	0	0	112.1	N182	N182-Y184 PolarHBondContact O-N 3.47Å; N182-Y184 WeakPolarHBondContact OD1-CB 3.22Å; N182-Y184 PolarHBondContact OD1-N 3.22Å
185	L	73	Confident	80.5	Confident	49 Å²	49	57.7 Å²	57.7	26%	0.257	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.2	177.5	-63.5	-178.4	0	0	0	113.9	N182 L187 I281	N182-L185 HydrophobicContact CB-CB 4.35Å; N182-L185 PolarHBondContact O-N 3.22Å; N182-L185 PolarHBondContact OD1-N 3.08Å; N182-L185 VanDerWaalsContact OD1-N 3.12Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 HydrophobicContact CB-CB 4.26Å; L185-L187 HydrophobicContact CB-CD1 4.27Å; L185-L187 HydrophobicContact CB-CG 4.42Å; L185-L187 PolarHBondContact O-N 3.01Å; L185-I281 HydrophobicContact CD2-CD1 4.21Å
186	R	75.2	Confident	80.6	Confident	132 Å²	132	52 Å²	52	50%	0.498	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	43	-170.8	-60.4	-65.5	-174.3	137.2	4.5	112.6	F181 N182 L183 E215 N216	F181-R186 HydrophobicContact CZ-CB 4.19Å; N182-R186 WeakPolarHBondContact O-CA 3.33Å; N182-R186 PolarHBondContact O-N 3.24Å; L183-R186 WeakPolarHBondContact O-CD 3.24Å; L183-R186 PolarHBondContact O-NE 2.76Å; R186-E215 VanDerWaalsContact O-CA 3.28Å; R186-E215 WeakPolarHBondContact O-CA 3.21Å; R186-N216 VanDerWaalsContact CB-O 3.31Å; R186-N216 WeakPolarHBondContact CB-O 3.06Å; R186-N216 PolarHBondContact O-N 3.36Å; R186-N216 VanDerWaalsContact O-N 3.12Å
187	L	78	Confident	80.5	Confident	12 Å²	12	52 Å²	52	6%	0.063	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.7	-176.4	-75.7	174.6	0	0	0	111.7	N182 L185 E215 P217 L306	N182-L187 PolarHBondContact N-O 2.88Å; N182-L187 PolarHBondContact O-N 2.77Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 HydrophobicContact CB-CB 4.26Å; L185-L187 HydrophobicContact CB-CD1 4.27Å; L185-L187 HydrophobicContact CB-CG 4.42Å; L185-L187 PolarHBondContact O-N 3.01Å; L187-E215 HydrophobicContact CD2-CB 4.27Å; L187-E215 HydrophobicContact CD2-CG 4.21Å; L187-P217 HydrophobicContact CD1-CB 4.25Å; L187-P217 HydrophobicContact CD2-CB 3.78Å; L187-P217 HydrophobicContact CD2-CG 3.91Å; L187-P217 HydrophobicContact CG-CB 3.96Å; L187-L306 HydrophobicContact CD1-CD1 3.77Å; L187-L306 HydrophobicContact CD2-CD1 4.3Å
188	C	84	Confident	80.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.2	165.7	-69.5	0	0	0	0	110.8	Y180 I206 C209 R210 E215 N283	Y180-C188 WeakPolarHBondContact O-CA 3.26Å; C188-I206 HydrophobicContact CB-CG1 4.19Å; C188-C209 HydrophobicContact CB-CB 3.78Å; C188-C209 WeakPolarHBondContact CB-SG 3.01Å; C188-C209 WeakPolarHBondContact SG-CB 3.35Å; C188-C209 CovalentContact SG-SG 2.03Å; C188-C209 PolarHBondContact SG-SG 3.42Å; C188-R210 HydrophobicContact CB-CG 4.49Å; C188-E215 VanDerWaalsContact CB-OE1 3.23Å; C188-E215 WeakPolarHBondContact CB-OE1 3.44Å; C188-E215 PolarHBondContact N-OE1 3.1Å; C188-N283 PolarHBondContact O-ND2 3.04Å
189	E	81.6	Confident	79.7	Confident	61 Å²	61	47.3 Å²	47.3	29%	0.285	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.7	178.9	-65.3	-169.7	113.2	0	0	110.6	F179 Y180 N182	F179-E189 CarbonylContact C-O 3.5Å; F179-E189 VanDerWaalsContact CA-O 3.24Å; F179-E189 WeakPolarHBondContact CA-O 3.14Å; Y180-E189 HydrophobicContact CD1-CB 4.06Å; Y180-E189 WeakPolarHBondContact CD1-O 3.16Å; Y180-E189 HydrophobicContact CE1-CB 3.53Å; Y180-E189 PolarHBondContact N-O 3.06Å; Y180-E189 PolarHBondContact O-N 3.01Å; Y180-E189 PolarHBondContact OH-OE2 3.28Å; N182-E189 HydrophobicContact CB-CG 4.3Å; N182-E189 WeakPolarHBondContact CB-OE2 3.43Å; N182-E189 PolarHBondContact ND2-OE2 3.46Å
190	S	85.9	Confident	79.2	Confident	54 Å²	54	49.1 Å²	49.1	38%	0.378	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.7	175.2	57.2	0	0	0	0	112.4	R178	R178-S190 CarbonylContact O-C 3.59Å; R178-S190 VanDerWaalsContact O-CA 3.31Å; R178-S190 WeakPolarHBondContact O-CA 3.48Å
191	F	84.2	Confident	79	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.035	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	168.9	170.5	78.6	-72.4	0	0	0	111.3	K167 D168 R178 Y180 W193 N201 N202	K167-F191 HydrophobicContact CD-CB 3.88Å; K167-F191 HydrophobicContact CD-CG 4.36Å; K167-F191 HydrophobicContact CG-CB 4.1Å; K167-F191 HydrophobicContact CG-CD2 4.06Å; K167-F191 HydrophobicContact CG-CG 4.02Å; D168-F191 WeakPolarHBondContact O-CE2 3.47Å; R178-F191 HydrophobicContact CB-CD1 4.26Å; R178-F191 HydrophobicContact CB-CE1 3.71Å; R178-F191 HydrophobicContact CB-CZ 4.02Å; R178-F191 PolarHBondContact N-O 2.98Å; R178-F191 PolarHBondContact O-N 3.18Å; R178-F191 VanDerWaalsContact O-O 3.1Å; Y180-F191 HydrophobicContact CD1-CB 4.07Å; Y180-F191 AromaticContact CD1-CD1 3.78Å; Y180-F191 HydrophobicContact CD1-CD1 3.78Å; Y180-F191 HydrophobicContact CD1-CG 4.19Å; Y180-F191 HydrophobicContact CE1-CB 4.42Å; Y180-F191 HydrophobicContact CG-CD1 4.2Å; F191-W193 HydrophobicContact CE2-CB 3.97Å; F191-W193 HydrophobicContact CZ-CB 4.28Å; F191-N201 VanDerWaalsContact CE1-O 3.29Å; F191-N201 WeakPolarHBondContact CE1-O 3.47Å; F191-N201 WeakPolarHBondContact CZ-O 3.12Å; F191-N202 HydrophobicContact CE1-CB 4.35Å; F191-N202 HydrophobicContact CZ-CB 3.88Å
192	T	82.4	Confident	79.1	Confident	27 Å²	27	48.5 Å²	48.5	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.3	176.8	-54.2	0	0	0	0	109.1	S169 Q175 R776	S169-T192 WeakPolarHBondContact CB-O 3.38Å; Q175-T192 HydrophobicContact CB-CG2 3.73Å; Q175-T192 HydrophobicContact CG-CG2 3.88Å; T192-R776 WeakPolarHBondContact OG1-CD 3.19Å
193	W	79.7	Confident	79.4	Confident	42 Å²	42	47.3 Å²	47.3	16%	0.159	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.5	168.2	-179.3	62.3	0	0	0	109.6	V176 R178 F191 G195 G197 N202	V176-W193 HydrophobicContact CB-CE3 4.09Å; V176-W193 HydrophobicContact CG2-CE3 4.26Å; V176-W193 PolarHBondContact N-O 3.47Å; V176-W193 PolarHBondContact O-N 2.93Å; R178-W193 HydrophobicContact CB-CB 4.29Å; R178-W193 HydrophobicContact CG-CB 3.79Å; R178-W193 VanDerWaalsContact CZ-CE3 3.45Å; F191-W193 HydrophobicContact CE2-CB 3.97Å; F191-W193 HydrophobicContact CZ-CB 4.28Å; W193-G195 VanDerWaalsContact CH2-O 3.25Å; W193-G195 WeakPolarHBondContact CH2-O 3.43Å; W193-G195 VanDerWaalsContact CZ2-C 3.48Å; W193-G195 VanDerWaalsContact CZ3-CA 3.46Å; W193-G195 PolarHBondContact O-N 3.1Å; W193-G197 PolarHBondContact NE1-O 3.08Å; W193-N202 PolarHBondContact NE1-ND2 3.19Å
194	T	80.8	Confident	79.8	Confident	27 Å²	27	46.8 Å²	46.8	17%	0.166	26%	0.255	C	S	.	.			trans	-81	7.4	-170.6	53	0	0	0	0	114.6	S169 G170 I171 G172 K173 L174 A196	S169-T194 WeakPolarHBondContact O-CB 3.12Å; S169-T194 VanDerWaalsContact O-CG2 3.31Å; S169-T194 WeakPolarHBondContact O-CG2 3.46Å; S169-T194 PolarHBondContact O-N 3.46Å; S169-T194 PolarHBondContact O-OG1 2.75Å; G170-T194 WeakPolarHBondContact CA-OG1 3.4Å; G170-T194 PolarHBondContact O-OG1 2.87Å; I171-T194 PolarHBondContact N-OG1 3.44Å; I171-T194 VanDerWaalsContact N-OG1 3.11Å; G172-T194 CarbonylContact C-O 3.55Å; G172-T194 VanDerWaalsContact C-O 3.28Å; G172-T194 VanDerWaalsContact CA-O 3.26Å; G172-T194 WeakPolarHBondContact CA-O 3.46Å; G172-T194 PolarHBondContact N-OG1 3.12Å; G172-T194 WeakPolarHBondContact O-CB 3.22Å; K173-T194 PolarHBondContact N-O 2.03Å; L174-T194 WeakPolarHBondContact CB-O 3.39Å; L174-T194 PolarHBondContact N-O 2.04Å; L174-T194 CarbonylContact O-C 3.5Å; L174-T194 WeakPolarHBondContact O-CA 3.26Å; T194-A196 VanDerWaalsContact C-N 3.31Å; T194-A196 PolarHBondContact O-N 3.24Å; T194-A196 PolarHBondContact OG1-O 2.86Å
195	G	73.1	Confident	80.5	Confident	22 Å²	22	40 Å²	40	23%	0.227	24%	0.235	C	C	.	.	S	Bend	trans	84.1	-7.9	179.9	0	0	0	0	0	115.7	W193	W193-G195 VanDerWaalsContact CH2-O 3.25Å; W193-G195 WeakPolarHBondContact CH2-O 3.43Å; W193-G195 VanDerWaalsContact CZ2-C 3.48Å; W193-G195 VanDerWaalsContact CZ3-CA 3.46Å; W193-G195 PolarHBondContact O-N 3.1Å
196	A	77.5	Confident	80.8	Confident	45 Å²	45	40 Å²	40	37%	0.372	24%	0.235	S	C	.	.	S	Bend	trans	-150.8	147.1	177.2	0	0	0	0	0	111.3	G170 I171 G172 T194	G170-A196 CarbonylContact C-O 3.6Å; G170-A196 WeakPolarHBondContact CA-O 3.43Å; I171-A196 PolarHBondContact N-O 3.41Å; G172-A196 PolarHBondContact N-O 3.36Å; T194-A196 VanDerWaalsContact C-N 3.31Å; T194-A196 PolarHBondContact O-N 3.24Å; T194-A196 PolarHBondContact OG1-O 2.86Å
197	G	75.3	Confident	80.8	Confident	49 Å²	49	39.6 Å²	39.6	51%	0.505	24%	0.238	S	C	.	.	S	Bend	trans	65.5	-146.8	-171.2	0	0	0	0	0	111.6	W193	W193-G197 PolarHBondContact NE1-O 3.08Å
198	G	74.1	Confident	81	Confident	31 Å²	31	41.4 Å²	41.4	32%	0.32	25%	0.247	S	C	.	.			trans	81.8	173.7	-174.7	0	0	0	0	0	111.8	D168 G170	D168-G198 VanDerWaalsContact OD2-CA 3.26Å; D168-G198 WeakPolarHBondContact OD2-CA 3.45Å; G170-G198 VanDerWaalsContact CA-N 3.33Å
199	N	78.4	Confident	81.1	Confident	33 Å²	33	41.4 Å²	41.4	18%	0.176	25%	0.247	C	C	.	.			trans	-112.3	-172.5	174.1	72.1	34.4	0	0	0	111.5	P166 D168 N201 N202	P166-N199 PolarHBondContact O-ND2 2.97Å; P166-N199 PolarHBondContact O-OD1 2.81Å; D168-N199 HydrophobicContact CB-CB 4.28Å; D168-N199 VanDerWaalsContact CB-ND2 3.32Å; D168-N199 WeakPolarHBondContact CB-ND2 3.38Å; N199-N201 WeakPolarHBondContact OD1-CB 3.37Å; N199-N201 PolarHBondContact OD1-N 2.9Å; N199-N202 WeakPolarHBondContact O-CB 3.3Å; N199-N202 PolarHBondContact O-ND2 2.86Å
200	R	77.6	Confident	81	Confident	81 Å²	81	42.5 Å²	42.5	31%	0.306	25%	0.248	S	C	.	.	S	Bend	trans	-85.4	-5.6	-171.4	-67.3	-174.1	153.6	-130.7	-23.2	114.7	D155 P162 N202	D155-R200 IonicContact OD1-CZ 3.29Å; D155-R200 IonicContact OD1-NE 2.72Å; D155-R200 IonicContact OD1-NH1 3.39Å; D155-R200 PolarHBondContact OD1-NH1 2.8Å; D155-R200 IonicContact OD1-NH2 3.11Å; D155-R200 PolarHBondContact OD1-NH2 3.23Å; D155-R200 IonicContact OD2-CZ 2.73Å; D155-R200 IonicContact OD2-NH1 2.8Å; D155-R200 PolarHBondContact OD2-NH1 3.3Å; D155-R200 IonicContact OD2-NH2 3.54Å; D155-R200 PolarHBondContact OD2-NH2 2.81Å; P162-R200 HydrophobicContact CB-CB 4.03Å; P162-R200 WeakPolarHBondContact CB-O 3.27Å; P162-R200 HydrophobicContact CG-CB 3.87Å; R200-N202 PolarHBondContact O-N 2.88Å
201	N	86.7	Confident	80.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.26	C	S	.	.			trans	-74.2	62.5	170	-151	-0.7	0	0	0	109.5	P162 Q165 Y180 F181 F191 N199	P162-N201 VanDerWaalsContact O-CB 3.24Å; P162-N201 WeakPolarHBondContact O-CB 3.27Å; Q165-N201 HydrophobicContact CB-CB 4.19Å; Q165-N201 PolarHBondContact O-ND2 3.21Å; Y180-N201 WeakPolarHBondContact CA-OD1 3.49Å; Y180-N201 WeakPolarHBondContact CB-O 3.44Å; F181-N201 PolarHBondContact N-OD1 2.74Å; F181-N201 PolarHBondContact O-ND2 3.23Å; F191-N201 VanDerWaalsContact CE1-O 3.29Å; F191-N201 WeakPolarHBondContact CE1-O 3.47Å; F191-N201 WeakPolarHBondContact CZ-O 3.12Å; N199-N201 WeakPolarHBondContact OD1-CB 3.37Å; N199-N201 PolarHBondContact OD1-N 2.9Å
202	N	87.7	Confident	80.2	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.123	28%	0.284	C	S	.	.			trans	-161.7	71.9	-153	-172	-14.2	0	0	0	110.2	R178 F179 F191 W193 N199 R200	R178-N202 VanDerWaalsContact CB-OD1 3.24Å; R178-N202 WeakPolarHBondContact CB-OD1 3.3Å; R178-N202 VanDerWaalsContact CD-OD1 3.32Å; R178-N202 WeakPolarHBondContact CD-OD1 3.48Å; R178-N202 WeakPolarHBondContact CG-OD1 3.17Å; R178-N202 PolarHBondContact NH1-OD1 2.79Å; F179-N202 CarbonylContact O-C 3.56Å; F179-N202 WeakPolarHBondContact O-CA 3.33Å; F179-N202 PolarHBondContact O-N 3.05Å; F191-N202 HydrophobicContact CE1-CB 4.35Å; F191-N202 HydrophobicContact CZ-CB 3.88Å; W193-N202 PolarHBondContact NE1-ND2 3.19Å; N199-N202 WeakPolarHBondContact O-CB 3.3Å; N199-N202 PolarHBondContact O-ND2 2.86Å; R200-N202 PolarHBondContact O-N 2.88Å
203	F	88.5	Confident	80.1	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.018	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-93.7	140.3	-175.8	-52.8	-75.4	0	0	0	111.1	P162 R178 F179 T205 C209 R212 C213	P162-F203 HydrophobicContact CB-CE1 4.26Å; P162-F203 HydrophobicContact CB-CZ 3.77Å; R178-F203 CarbonylContact C-O 3.59Å; R178-F203 WeakPolarHBondContact CA-O 3.44Å; F179-F203 HydrophobicContact CB-CB 4.36Å; F179-F203 PolarHBondContact N-O 3Å; F179-F203 VanDerWaalsContact O-CD2 3.26Å; F179-F203 WeakPolarHBondContact O-CD2 3.12Å; F179-F203 PolarHBondContact O-N 2.94Å; F203-T205 VanDerWaalsContact C-N 3.32Å; F203-T205 PolarHBondContact O-N 3.16Å; F203-C209 HydrophobicContact CB-CB 3.78Å; F203-C209 HydrophobicContact CD2-CB 3.42Å; F203-C209 VanDerWaalsContact CD2-CB 3.42Å; F203-C209 WeakPolarHBondContact CD2-SG 2.98Å; F203-C209 HydrophobicContact CE2-CB 4.19Å; F203-C209 HydrophobicContact CG-CB 3.68Å; F203-R212 HydrophobicContact CE1-CB 4.08Å; F203-R212 HydrophobicContact CE1-CG 4.49Å; F203-C213 VanDerWaalsContact CZ-SG 3.5Å
204	P	83.6	Confident	79.9	Confident	72 Å²	72	54.3 Å²	54.3	47%	0.468	30%	0.3	S	S	.	.	S	Bend	trans	-58.1	-38.6	175.1	-25.6	32.8	0	0	0	114.1	E208	P204-E208 VanDerWaalsContact CD-OE2 3.25Å; P204-E208 WeakPolarHBondContact CD-OE2 3.45Å; P204-E208 WeakPolarHBondContact CG-OE2 3.28Å
205	T	82.9	Confident	79.6	Confident	66 Å²	66	55.4 Å²	55.4	41%	0.405	30%	0.303	S	S	.	.	S	Bend	trans	-133.6	156.2	-176.7	69.4	0	0	0	0	111.8	F203 H207 E208 C209	F203-T205 VanDerWaalsContact C-N 3.32Å; F203-T205 PolarHBondContact O-N 3.16Å; T205-H207 PolarHBondContact O-N 2.91Å; T205-E208 PolarHBondContact O-N 3.45Å; T205-E208 WeakPolarHBondContact OG1-CB 3.5Å; T205-E208 PolarHBondContact OG1-N 2.91Å; T205-E208 VanDerWaalsContact OG1-N 3.08Å; T205-C209 PolarHBondContact O-N 2.73Å
206	I	80.6	Confident	79.5	Confident	51 Å²	51	60.3 Å²	60.3	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-32.3	172.1	-168.1	170.5	0	0	0	111.9	F179 C188 C209 R210	F179-I206 HydrophobicContact CD1-CB 3.86Å; F179-I206 HydrophobicContact CD1-CG1 4.23Å; F179-I206 VanDerWaalsContact CD2-N 3.35Å; F179-I206 HydrophobicContact CE1-CB 3.74Å; F179-I206 HydrophobicContact CE1-CD1 4.44Å; F179-I206 HydrophobicContact CE1-CG1 4.33Å; F179-I206 HydrophobicContact CE2-CB 4.44Å; F179-I206 HydrophobicContact CG-CB 4.26Å; F179-I206 HydrophobicContact CZ-CB 4.05Å; C188-I206 HydrophobicContact CB-CG1 4.19Å; I206-C209 PolarHBondContact O-N 2.7Å; I206-R210 HydrophobicContact CG1-CG 4.37Å; I206-R210 WeakPolarHBondContact O-CB 3.03Å; I206-R210 VanDerWaalsContact O-CG 3.23Å; I206-R210 WeakPolarHBondContact O-CG 3.37Å; I206-R210 PolarHBondContact O-N 2.8Å
207	H	75.1	Confident	79.4	Confident	122 Å²	122	59.2 Å²	59.2	57%	0.565	31%	0.313	S	S	*	.	H	α-helix	trans	-68.4	-43.2	179.2	-161.9	83.8	0	0	0	111.4	T205 R210 Q211	T205-H207 PolarHBondContact O-N 2.91Å; H207-R210 PolarHBondContact O-N 2.88Å; H207-Q211 PolarHBondContact CD2-NE2 2.83Å; H207-Q211 PolarHBondContact NE2-NE2 3.34Å; H207-Q211 WeakPolarHBondContact O-CB 3.32Å; H207-Q211 WeakPolarHBondContact O-CG 3.08Å; H207-Q211 PolarHBondContact O-N 2.75Å
208	E	81.5	Confident	79.7	Confident	51 Å²	51	59.3 Å²	59.3	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-36.1	176.5	-163.7	-179.8	167.4	0	0	112.1	P204 T205 Q211 R212	P204-E208 VanDerWaalsContact CD-OE2 3.25Å; P204-E208 WeakPolarHBondContact CD-OE2 3.45Å; P204-E208 WeakPolarHBondContact CG-OE2 3.28Å; T205-E208 PolarHBondContact O-N 3.45Å; T205-E208 WeakPolarHBondContact OG1-CB 3.5Å; T205-E208 PolarHBondContact OG1-N 2.91Å; T205-E208 VanDerWaalsContact OG1-N 3.08Å; E208-Q211 PolarHBondContact O-N 2.91Å; E208-R212 PolarHBondContact O-N 2.98Å; E208-R212 IonicContact OE1-CZ 3.58Å; E208-R212 VanDerWaalsContact OE1-CZ 3.23Å; E208-R212 IonicContact OE1-NH1 2.7Å; E208-R212 PolarHBondContact OE1-NH1 3.3Å; E208-R212 IonicContact OE1-NH2 3.44Å; E208-R212 PolarHBondContact OE1-NH2 2.9Å
209	C	85.2	Confident	80.2	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-50	169.3	-176.7	0	0	0	0	111.3	F179 C188 F203 T205 I206 Q211 R212 C213	F179-C209 HydrophobicContact CB-CB 4.07Å; C188-C209 HydrophobicContact CB-CB 3.78Å; C188-C209 WeakPolarHBondContact CB-SG 3.01Å; C188-C209 WeakPolarHBondContact SG-CB 3.35Å; C188-C209 CovalentContact SG-SG 2.03Å; C188-C209 PolarHBondContact SG-SG 3.42Å; F203-C209 HydrophobicContact CB-CB 3.78Å; F203-C209 HydrophobicContact CD2-CB 3.42Å; F203-C209 VanDerWaalsContact CD2-CB 3.42Å; F203-C209 WeakPolarHBondContact CD2-SG 2.98Å; F203-C209 HydrophobicContact CE2-CB 4.19Å; F203-C209 HydrophobicContact CG-CB 3.68Å; T205-C209 PolarHBondContact O-N 2.73Å; I206-C209 PolarHBondContact O-N 2.7Å; C209-Q211 VanDerWaalsContact C-N 3.34Å; C209-Q211 PolarHBondContact O-N 2.84Å; C209-R212 PolarHBondContact O-N 3.21Å; C209-C213 WeakPolarHBondContact O-CA 3.42Å; C209-C213 WeakPolarHBondContact O-CB 3.49Å; C209-C213 PolarHBondContact O-N 2.83Å
210	R	81	Confident	80.6	Confident	83 Å²	83	56.4 Å²	56.4	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-35.8	179.2	-76.3	171.2	167.8	-168.5	-18.1	113.2	C188 I206 H207 C213 E215	C188-R210 HydrophobicContact CB-CG 4.49Å; I206-R210 HydrophobicContact CG1-CG 4.37Å; I206-R210 WeakPolarHBondContact O-CB 3.03Å; I206-R210 VanDerWaalsContact O-CG 3.23Å; I206-R210 WeakPolarHBondContact O-CG 3.37Å; I206-R210 PolarHBondContact O-N 2.8Å; H207-R210 PolarHBondContact O-N 2.88Å; R210-C213 CarbonylContact O-C 3.52Å; R210-E215 HydrophobicContact CG-CG 3.94Å; R210-E215 WeakPolarHBondContact CG-OE1 3.31Å; R210-E215 IonicContact CZ-OE1 2.97Å; R210-E215 IonicContact CZ-OE2 2.77Å; R210-E215 VanDerWaalsContact CZ-OE2 3.25Å; R210-E215 IonicContact NE-OE1 2.96Å; R210-E215 PolarHBondContact NE-OE1 3.45Å; R210-E215 IonicContact NE-OE2 2.94Å; R210-E215 PolarHBondContact NE-OE2 3.22Å; R210-E215 IonicContact NH2-OE1 2.63Å; R210-E215 IonicContact NH2-OE2 2.74Å; R210-E215 PolarHBondContact NH2-OE2 2.03Å
211	Q	74.9	Confident	80.9	Confident	135 Å²	135	55.1 Å²	55.1	63%	0.631	28%	0.278	S	S	*	.	H	α-helix	trans	-69.1	-40.7	175.9	-77.5	-176.4	-6	0	0	112.6	H207 E208 C209	H207-Q211 PolarHBondContact CD2-NE2 2.83Å; H207-Q211 PolarHBondContact NE2-NE2 3.34Å; H207-Q211 WeakPolarHBondContact O-CB 3.32Å; H207-Q211 WeakPolarHBondContact O-CG 3.08Å; H207-Q211 PolarHBondContact O-N 2.75Å; E208-Q211 PolarHBondContact O-N 2.91Å; C209-Q211 VanDerWaalsContact C-N 3.34Å; C209-Q211 PolarHBondContact O-N 2.84Å
212	R	77	Confident	80.5	Confident	146 Å²	146	60 Å²	60	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-84.3	-31.3	178.7	-67.5	-151.9	-173.9	93.2	6.9	113.8	F203 E208 C209	F203-R212 HydrophobicContact CE1-CB 4.08Å; F203-R212 HydrophobicContact CE1-CG 4.49Å; E208-R212 PolarHBondContact O-N 2.98Å; E208-R212 IonicContact OE1-CZ 3.58Å; E208-R212 VanDerWaalsContact OE1-CZ 3.23Å; E208-R212 IonicContact OE1-NH1 2.7Å; E208-R212 PolarHBondContact OE1-NH1 3.3Å; E208-R212 IonicContact OE1-NH2 3.44Å; E208-R212 PolarHBondContact OE1-NH2 2.9Å; C209-R212 PolarHBondContact O-N 3.21Å
213	C	81.8	Confident	80.3	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.014	31%	0.312	C	S	.	.	S	Bend	trans	-127.3	88	-178.2	-52.5	0	0	0	0	109.4	C163 F181 F203 C209 R210 E215	C163-C213 HydrophobicContact CB-CB 3.88Å; C163-C213 WeakPolarHBondContact CB-SG 3.28Å; C163-C213 VanDerWaalsContact SG-CA 3.57Å; C163-C213 WeakPolarHBondContact SG-CB 3.04Å; C163-C213 CovalentContact SG-SG 2.03Å; C163-C213 PolarHBondContact SG-SG 3.31Å; F181-C213 HydrophobicContact CB-CB 3.71Å; F181-C213 HydrophobicContact CD1-CB 4.21Å; F181-C213 HydrophobicContact CD2-CB 3.32Å; F181-C213 HydrophobicContact CE2-CB 3.87Å; F181-C213 WeakPolarHBondContact CE2-O 3.38Å; F181-C213 HydrophobicContact CG-CB 3.49Å; F181-C213 VanDerWaalsContact CG-CB 3.49Å; F181-C213 HydrophobicContact CZ-CB 4.49Å; F203-C213 VanDerWaalsContact CZ-SG 3.5Å; C209-C213 WeakPolarHBondContact O-CA 3.42Å; C209-C213 WeakPolarHBondContact O-CB 3.49Å; C209-C213 PolarHBondContact O-N 2.83Å; R210-C213 CarbonylContact O-C 3.52Å; C213-E215 PolarHBondContact O-N 2.72Å
214	P	73.9	Confident	80.1	Confident	97 Å²	97	64.9 Å²	64.9	63%	0.63	34%	0.337	S	S	*	.			trans	-57.4	127	-176.6	-26.9	35.6	0	0	0	112.6
215	E	75.7	Confident	80.3	Confident	49 Å²	49	61.9 Å²	61.9	23%	0.229	32%	0.317	C	S	.	.			trans	-73.6	131.5	175.6	-65.2	-174.9	172.6	0	0	110.4	R186 L187 C188 R210 C213	R186-E215 VanDerWaalsContact O-CA 3.28Å; R186-E215 WeakPolarHBondContact O-CA 3.21Å; L187-E215 HydrophobicContact CD2-CB 4.27Å; L187-E215 HydrophobicContact CD2-CG 4.21Å; C188-E215 VanDerWaalsContact CB-OE1 3.23Å; C188-E215 WeakPolarHBondContact CB-OE1 3.44Å; C188-E215 PolarHBondContact N-OE1 3.1Å; R210-E215 HydrophobicContact CG-CG 3.94Å; R210-E215 WeakPolarHBondContact CG-OE1 3.31Å; R210-E215 IonicContact CZ-OE1 2.97Å; R210-E215 IonicContact CZ-OE2 2.77Å; R210-E215 VanDerWaalsContact CZ-OE2 3.25Å; R210-E215 IonicContact NE-OE1 2.96Å; R210-E215 PolarHBondContact NE-OE1 3.45Å; R210-E215 IonicContact NE-OE2 2.94Å; R210-E215 PolarHBondContact NE-OE2 3.22Å; R210-E215 IonicContact NH2-OE1 2.63Å; R210-E215 IonicContact NH2-OE2 2.74Å; R210-E215 PolarHBondContact NH2-OE2 2.03Å; C213-E215 PolarHBondContact O-N 2.72Å
216	N	71.1	Confident	80.6	Confident	126 Å²	126	60.7 Å²	60.7	67%	0.674	31%	0.308	S	S	*	.			trans	-141.4	71.3	169.1	-172.1	8.1	0	0	0	109.1	R186	R186-N216 VanDerWaalsContact CB-O 3.31Å; R186-N216 WeakPolarHBondContact CB-O 3.06Å; R186-N216 PolarHBondContact O-N 3.36Å; R186-N216 VanDerWaalsContact O-N 3.12Å
217	P	74.1	Confident	80.8	Confident	22 Å²	22	62 Å²	62	14%	0.143	31%	0.314	C	S	.	.			trans	-70.7	144.5	-176.2	28.3	-34.4	0	0	0	111.8	L187 P219 T260 L306	L187-P217 HydrophobicContact CD1-CB 4.25Å; L187-P217 HydrophobicContact CD2-CB 3.78Å; L187-P217 HydrophobicContact CD2-CG 3.91Å; L187-P217 HydrophobicContact CG-CB 3.96Å; P217-P219 WeakPolarHBondContact O-CD 3.4Å; P217-T260 HydrophobicContact CG-CG2 4.35Å; P217-L306 HydrophobicContact CB-CD1 3.49Å; P217-L306 VanDerWaalsContact CB-CD1 3.49Å; P217-L306 HydrophobicContact CB-CD2 3.91Å; P217-L306 HydrophobicContact CB-CG 4.35Å; P217-L306 HydrophobicContact CG-CD1 3.84Å; P217-L306 HydrophobicContact CG-CD2 3.77Å; P217-L306 HydrophobicContact CG-CG 4.46Å
218	N	82.3	Confident	81	Confident	50 Å²	50	58.9 Å²	58.9	27%	0.267	30%	0.304	S	S	.	.			trans	-78.1	112.6	165.4	171.1	3	0	0	0	109.8	C220 G223 K307	N218-C220 PolarHBondContact OD1-N 2.82Å; N218-G223 PolarHBondContact ND2-O 2.84Å; N218-K307 PolarHBondContact ND2-NZ 3.14Å; N218-K307 WeakPolarHBondContact O-CE 3.41Å; N218-K307 PolarHBondContact O-NZ 3.38Å
219	P	83.7	Confident	80.8	Confident	3 Å²	3	65 Å²	65	2%	0.019	34%	0.338	C	S	.	.			trans	-73.9	-23.1	-179.3	27.7	-32.9	0	0	0	114.5	P217 P225 H253 V262 L306 K307	P217-P219 WeakPolarHBondContact O-CD 3.4Å; P219-P225 HydrophobicContact CG-CG 3.93Å; P219-H253 WeakPolarHBondContact CB-CE1 3.37Å; P219-H253 PolarHBondContact O-CD2 3.05Å; P219-H253 VanDerWaalsContact O-CD2 3.27Å; P219-H253 PolarHBondContact O-NE2 3.14Å; P219-H253 VanDerWaalsContact O-NE2 3.12Å; P219-V262 HydrophobicContact CB-CG2 4.36Å; P219-V262 HydrophobicContact CG-CG2 3.34Å; P219-L306 HydrophobicContact CB-CD2 3.95Å; P219-K307 WeakPolarHBondContact O-CA 3.41Å; P219-K307 PolarHBondContact O-N 3.13Å
220	C	87.6	Confident	80.3	Confident	0 Å²	0	73 Å²	73	0%	0	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-76.8	129	-169.2	-54.4	0	0	0	0	112.4	N218 Y222 P225 C264 K307	N218-C220 PolarHBondContact OD1-N 2.82Å; C220-Y222 VanDerWaalsContact C-N 3.3Å; C220-Y222 VanDerWaalsContact CB-O 3.26Å; C220-Y222 WeakPolarHBondContact CB-O 3.4Å; C220-Y222 PolarHBondContact O-N 3.43Å; C220-P225 VanDerWaalsContact SG-CA 3.5Å; C220-P225 VanDerWaalsContact SG-N 3.37Å; C220-C264 WeakPolarHBondContact CA-SG 3.43Å; C220-C264 HydrophobicContact CB-CB 3.61Å; C220-C264 WeakPolarHBondContact CB-SG 3.36Å; C220-C264 WeakPolarHBondContact SG-CA 3.01Å; C220-C264 WeakPolarHBondContact SG-CB 3.48Å; C220-C264 CovalentContact SG-SG 2.03Å; C220-C264 PolarHBondContact SG-SG 3.25Å; C220-K307 WeakPolarHBondContact O-CD 3.26Å; C220-K307 WeakPolarHBondContact O-CE 3.48Å; C220-K307 PolarHBondContact O-NZ 2.86Å
221	N	83.4	Confident	79.6	Confident	54 Å²	54	75.8 Å²	75.8	29%	0.289	39%	0.394	S	S	.	.	S	Bend	trans	-51.3	-49.2	-178.4	-174.2	42.6	0	0	0	111.9	L278	N221-L278 WeakPolarHBondContact OD1-CD2 3.48Å
222	Y	78.6	Confident	79.6	Confident	103 Å²	103	75 Å²	75	40%	0.404	39%	0.391	S	S	.	.	S	Bend	trans	-119.5	160.7	166	96.5	-80.5	0	0	0	110.8	C220 P265 K266 E267	C220-Y222 VanDerWaalsContact C-N 3.3Å; C220-Y222 VanDerWaalsContact CB-O 3.26Å; C220-Y222 WeakPolarHBondContact CB-O 3.4Å; C220-Y222 PolarHBondContact O-N 3.43Å; Y222-P265 HydrophobicContact CD1-CB 4.49Å; Y222-P265 VanDerWaalsContact CE1-C 3.48Å; Y222-P265 HydrophobicContact CE1-CB 3.61Å; Y222-P265 VanDerWaalsContact CE1-O 3.24Å; Y222-P265 WeakPolarHBondContact CE1-O 3.43Å; Y222-P265 HydrophobicContact CE2-CB 4.1Å; Y222-P265 WeakPolarHBondContact OH-CB 3.38Å; Y222-K266 VanDerWaalsContact CE1-C 3.4Å; Y222-K266 PolarHBondContact OH-O 2.68Å; Y222-E267 HydrophobicContact CD1-CB 4.18Å; Y222-E267 HydrophobicContact CD1-CG 4.41Å; Y222-E267 HydrophobicContact CE1-CB 4.14Å
223	G	83.5	Confident	79.8	Confident	42 Å²	42	70.6 Å²	70.6	43%	0.433	38%	0.38	S	S	.	.	S	Bend	trans	66.9	-157	-179.7	0	0	0	0	0	113.5	N218	N218-G223 PolarHBondContact ND2-O 2.84Å
224	V	84.9	Confident	80	Confident	89 Å²	89	72.2 Å²	72.2	54%	0.539	39%	0.39	S	S	.	.			trans	-124.4	161.3	174	-67.6	0	0	0	0	108.9	M227 P265	V224-M227 HydrophobicContact CB-CE 4.46Å; V224-P265 VanDerWaalsContact O-CD 3.23Å; V224-P265 WeakPolarHBondContact O-CD 3.47Å; V224-P265 WeakPolarHBondContact O-CG 3.5Å
225	P	87.3	Confident	80.3	Confident	9 Å²	9	70.3 Å²	70.3	6%	0.058	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-55.5	152.2	173.7	-24.4	34.4	0	0	0	112	P219 C220 M227 P233 V262 C263	P219-P225 HydrophobicContact CG-CG 3.93Å; C220-P225 VanDerWaalsContact SG-CA 3.5Å; C220-P225 VanDerWaalsContact SG-N 3.37Å; P225-M227 HydrophobicContact CB-CE 4.22Å; P225-M227 HydrophobicContact CB-SD 4.45Å; P225-M227 HydrophobicContact CG-CE 4.34Å; P225-M227 PolarHBondContact O-N 2.92Å; P225-P233 HydrophobicContact CB-CB 3.97Å; P225-P233 HydrophobicContact CG-CB 4.48Å; P225-V262 HydrophobicContact CB-CB 4.44Å; P225-V262 HydrophobicContact CB-CG2 3.92Å; P225-V262 HydrophobicContact CG-CG2 3.98Å; P225-C263 WeakPolarHBondContact CA-O 3.37Å
226	L	89	Confident	80.5	Confident	41 Å²	41	68.3 Å²	68.3	22%	0.215	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-58.5	123.6	164.4	-177.3	63	0	0	0	108.2	V234 P247 Y250 C263	L226-V234 HydrophobicContact CB-CB 4.29Å; L226-V234 HydrophobicContact CB-CG2 4.27Å; L226-V234 HydrophobicContact CD2-CB 4.27Å; L226-V234 HydrophobicContact CD2-CG1 4.48Å; L226-V234 HydrophobicContact CD2-CG2 3.99Å; L226-V234 HydrophobicContact CG-CB 4.31Å; L226-V234 HydrophobicContact CG-CG2 3.85Å; L226-V234 WeakPolarHBondContact O-CG2 3.42Å; L226-V234 PolarHBondContact O-N 3.38Å; L226-P247 HydrophobicContact CD2-CG 3.71Å; L226-Y250 HydrophobicContact CB-CD1 3.84Å; L226-Y250 HydrophobicContact CB-CE1 3.61Å; L226-Y250 HydrophobicContact CD1-CE1 4.15Å; L226-Y250 HydrophobicContact CD1-CE2 4.22Å; L226-Y250 HydrophobicContact CG-CE1 4.37Å; L226-C263 HydrophobicContact CB-CB 4Å; L226-C263 HydrophobicContact CD2-CB 4.32Å; L226-C263 PolarHBondContact N-O 2.95Å
227	M	85	Confident	80.1	Confident	79 Å²	79	64 Å²	64	39%	0.389	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-97.4	148.8	177.9	-56.7	-56.1	179	0	0	110.7	V224 P225 P233	V224-M227 HydrophobicContact CB-CE 4.46Å; P225-M227 HydrophobicContact CB-CE 4.22Å; P225-M227 HydrophobicContact CB-SD 4.45Å; P225-M227 HydrophobicContact CG-CE 4.34Å; P225-M227 PolarHBondContact O-N 2.92Å; M227-P233 HydrophobicContact CE-CG 4.34Å; M227-P233 HydrophobicContact SD-CB 4.2Å; M227-P233 HydrophobicContact SD-CG 3.83Å
228	T	80.5	Confident	79.5	Confident	55 Å²	55	70.3 Å²	70.3	34%	0.337	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-77.8	169.9	165.3	59.9	0	0	0	0	110.9	K230 D231 E232 V234	T228-K230 PolarHBondContact O-N 3.34Å; T228-D231 PolarHBondContact O-N 2.91Å; T228-E232 WeakPolarHBondContact CB-O 3.24Å; T228-E232 WeakPolarHBondContact CG2-O 3.26Å; T228-E232 PolarHBondContact N-O 3.09Å; T228-E232 PolarHBondContact OG1-N 2.67Å; T228-E232 PolarHBondContact OG1-O 3.03Å; T228-V234 HydrophobicContact CG2-CG2 3.72Å
229	D	76.8	Confident	77.6	Confident	181 Å²	181	71.5 Å²	71.5	97%	0.968	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-4.3	174.3	-56.6	-38.8	0	0	0	114.6
230	K	74.4	Confident	75.8	Confident	166 Å²	166	78.5 Å²	78.5	72%	0.722	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	10.6	175.5	-66	-175.1	179.1	177.7	0	113.8	T228 E232	T228-K230 PolarHBondContact O-N 3.34Å; K230-E232 HydrophobicContact CB-CG 4.37Å; K230-E232 PolarHBondContact O-N 2.73Å
231	D	66.5	Low	73.4	Confident	142 Å²	142	89.8 Å²	89.8	76%	0.759	47%	0.473	S	S	*	.	S	Bend	trans	60.2	19.9	-171.3	-66.9	-44.2	0	0	0	114.5	T228	T228-D231 PolarHBondContact O-N 2.91Å
232	E	74.3	Confident	71.3	Confident	120 Å²	120	95.2 Å²	95.2	56%	0.561	50%	0.497	S	S	*	.			trans	-94.4	134.8	173.6	-64.6	178	155.2	0	0	110.6	T228 K230	T228-E232 WeakPolarHBondContact CB-O 3.24Å; T228-E232 WeakPolarHBondContact CG2-O 3.26Å; T228-E232 PolarHBondContact N-O 3.09Å; T228-E232 PolarHBondContact OG1-N 2.67Å; T228-E232 PolarHBondContact OG1-O 3.03Å; K230-E232 HydrophobicContact CB-CG 4.37Å; K230-E232 PolarHBondContact O-N 2.73Å
233	P	80.6	Confident	69.6	Low	52 Å²	52	97.1 Å²	97.1	34%	0.338	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-58.5	134.8	177.3	-26.5	35	0	0	0	113.8	P225 M227 S235 V262	P225-P233 HydrophobicContact CB-CB 3.97Å; P225-P233 HydrophobicContact CG-CB 4.48Å; M227-P233 HydrophobicContact CE-CG 4.34Å; M227-P233 HydrophobicContact SD-CB 4.2Å; M227-P233 HydrophobicContact SD-CG 3.83Å; P233-S235 PolarHBondContact O-N 3.22Å; P233-S235 VanDerWaalsContact O-N 3.07Å; P233-V262 HydrophobicContact CB-CB 4.37Å; P233-V262 HydrophobicContact CB-CG1 3.82Å
234	V	86.5	Confident	68	Low	36 Å²	36	100.8 Å²	100.8	22%	0.218	52%	0.518	C	S	.	.			trans	-68.8	104.5	173.8	176.8	0	0	0	0	109.3	L226 T228 V262 C263	L226-V234 HydrophobicContact CB-CB 4.29Å; L226-V234 HydrophobicContact CB-CG2 4.27Å; L226-V234 HydrophobicContact CD2-CB 4.27Å; L226-V234 HydrophobicContact CD2-CG1 4.48Å; L226-V234 HydrophobicContact CD2-CG2 3.99Å; L226-V234 HydrophobicContact CG-CB 4.31Å; L226-V234 HydrophobicContact CG-CG2 3.85Å; L226-V234 WeakPolarHBondContact O-CG2 3.42Å; L226-V234 PolarHBondContact O-N 3.38Å; T228-V234 HydrophobicContact CG2-CG2 3.72Å; V234-V262 CarbonylContact O-C 3.47Å; V234-V262 VanDerWaalsContact O-CA 3.23Å; V234-V262 WeakPolarHBondContact O-CA 3.23Å; V234-V262 WeakPolarHBondContact O-CB 3.49Å; V234-C263 HydrophobicContact CB-CB 4.44Å; V234-C263 HydrophobicContact CG1-CB 4.42Å; V234-C263 PolarHBondContact O-N 3.25Å
235	S	80.4	Confident	67.1	Low	58 Å²	58	103.4 Å²	103.4	41%	0.406	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-71.2	151.8	172.9	-166.9	0	0	0	0	112.3	P233 E258 T261	P233-S235 PolarHBondContact O-N 3.22Å; P233-S235 VanDerWaalsContact O-N 3.07Å; S235-E258 PolarHBondContact OG-O 3.44Å; S235-T261 VanDerWaalsContact CA-O 3.31Å; S235-T261 WeakPolarHBondContact CA-O 3.39Å; S235-T261 PolarHBondContact OG-O 3.13Å
236	C	79.2	Confident	66.8	Low	7 Å²	7	104 Å²	104	5%	0.047	53%	0.529	C	S	.	.			trans	-145.8	153.5	179.9	63	0	0	0	0	109.9	C252 T261 V262	C236-C252 VanDerWaalsContact C-SG 3.57Å; C236-C252 HydrophobicContact CB-CB 3.9Å; C236-C252 WeakPolarHBondContact CB-SG 3.18Å; C236-C252 WeakPolarHBondContact SG-CA 3.36Å; C236-C252 WeakPolarHBondContact SG-CB 3.31Å; C236-C252 CovalentContact SG-SG 2.03Å; C236-C252 PolarHBondContact SG-SG 2.85Å; C236-T261 PolarHBondContact N-O 2.92Å; C236-T261 VanDerWaalsContact N-O 3.07Å; C236-T261 WeakPolarHBondContact O-CG2 3.28Å; C236-V262 PolarHBondContact SG-O 2.84Å
237	G	64.2	Low	66.5	Low	34 Å²	34	105.3 Å²	105.3	35%	0.351	54%	0.54	S	S	.	.			trans	164.9	-174.3	-178.4	0	0	0	0	0	114.6	S239	G237-S239 PolarHBondContact O-N 2.86Å
238	F	59.8	Low	66.1	Low	156 Å²	156	107.7 Å²	107.7	68%	0.684	56%	0.558	S	S	*	*			trans	-82.6	90.3	178.2	-72.7	-87.9	0	0	0	111.4	F314	F238-F314 HydrophobicContact CD2-CE2 4.25Å; F238-F314 HydrophobicContact CD2-CZ 4.27Å; F238-F314 AromaticContact CE2-CD2 3.92Å; F238-F314 HydrophobicContact CE2-CD2 3.92Å; F238-F314 AromaticContact CE2-CE2 3.55Å; F238-F314 HydrophobicContact CE2-CE2 3.55Å; F238-F314 AromaticContact CE2-CZ 4Å; F238-F314 HydrophobicContact CE2-CZ 4Å
239	S	43.8	Very low	66.1	Low	74 Å²	74	110.2 Å²	110.2	52%	0.517	57%	0.57	S	S	.	*			trans	-96.5	120.7	157.1	50.1	0	0	0	0	109.2	G237 W241 Q242	G237-S239 PolarHBondContact O-N 2.86Å; S239-W241 PolarHBondContact O-N 3.45Å; S239-Q242 PolarHBondContact O-N 3.42Å; S239-Q242 PolarHBondContact OG-O 3.2Å
240	D	44.6	Very low	66.7	Low	151 Å²	151	105 Å²	105	81%	0.807	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-8	-158.6	-81.2	-41.1	0	0	0	118.5
241	W	37.6	Very low	67.4	Low	237 Å²	237	98 Å²	98	90%	0.898	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	3.5	-174.1	-73.8	92.3	0	0	0	116.6	S239	S239-W241 PolarHBondContact O-N 3.45Å
242	Q	40.3	Very low	68.3	Low	167 Å²	167	93.3 Å²	93.3	78%	0.78	49%	0.485	S	S	*	.			trans	-162.2	117.3	168.4	-106.4	146.8	49.8	0	0	109.6	S239 L244	S239-Q242 PolarHBondContact O-N 3.42Å; S239-Q242 PolarHBondContact OG-O 3.2Å; Q242-L244 PolarHBondContact O-N 2.88Å
243	Q	42.7	Very low	69	Low	144 Å²	144	87.7 Å²	87.7	67%	0.673	46%	0.459	S	S	*	.			trans	-65	105.5	170.7	-81.9	-173.9	-16.2	0	0	109.4	Q245	Q243-Q245 HydrophobicContact CB-CG 4.03Å; Q243-Q245 PolarHBondContact O-N 3.4Å
244	L	49.9	Very low	69	Low	118 Å²	118	86.5 Å²	86.5	62%	0.618	45%	0.449	S	S	*	.			trans	-75.6	77	166.6	-162.8	73.5	0	0	0	108.7	Q242	Q242-L244 PolarHBondContact O-N 2.88Å
245	Q	66.2	Low	68.6	Low	145 Å²	145	84.9 Å²	84.9	68%	0.678	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-67.2	142.1	177.1	-68.1	-172.8	-6.2	0	0	110.6	Q243	Q243-Q245 HydrophobicContact CB-CG 4.03Å; Q243-Q245 PolarHBondContact O-N 3.4Å
246	C	81.3	Confident	68.2	Low	21 Å²	21	84.1 Å²	84.1	14%	0.142	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-64.2	151	171.1	-62.6	0	0	0	0	111.4	C252 C263	C246-C252 VanDerWaalsContact SG-CA 3.56Å; C246-C263 WeakPolarHBondContact CA-SG 3Å; C246-C263 HydrophobicContact CB-CB 3.74Å; C246-C263 WeakPolarHBondContact CB-SG 3.34Å; C246-C263 WeakPolarHBondContact SG-CA 3.01Å; C246-C263 WeakPolarHBondContact SG-CB 3.19Å; C246-C263 CovalentContact SG-SG 2.04Å; C246-C263 PolarHBondContact SG-SG 3.16Å
247	P	82.8	Confident	68	Low	68 Å²	68	86.4 Å²	86.4	44%	0.442	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-59.3	165.3	177.1	-25	35.5	0	0	0	113.6	L226 N249 Y250	L226-P247 HydrophobicContact CD2-CG 3.71Å; P247-N249 PolarHBondContact O-N 2.87Å; P247-Y250 WeakPolarHBondContact O-CA 3.48Å; P247-Y250 WeakPolarHBondContact O-CB 3.48Å; P247-Y250 PolarHBondContact O-N 3.47Å
248	V	75	Confident	68.4	Low	129 Å²	129	92.4 Å²	92.4	78%	0.782	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	139.5	171.3	-175.6	0	0	0	0	110	Y250	V248-Y250 VanDerWaalsContact C-N 3.25Å; V248-Y250 PolarHBondContact O-N 2.99Å
249	N	81.4	Confident	69.2	Low	109 Å²	109	90.6 Å²	90.6	58%	0.583	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	3.9	-170.7	-51.5	-32.9	0	0	0	116.4	P247 K266	P247-N249 PolarHBondContact O-N 2.87Å; N249-K266 WeakPolarHBondContact O-CB 3.38Å; N249-K266 PolarHBondContact O-N 3.39Å
250	Y	90.1	Very high	71	Confident	70 Å²	70	87.6 Å²	87.6	28%	0.275	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.7	170	-70	-102.5	0	0	0	111.1	L226 P247 V248 C263 C264 P265 K266	L226-Y250 HydrophobicContact CB-CD1 3.84Å; L226-Y250 HydrophobicContact CB-CE1 3.61Å; L226-Y250 HydrophobicContact CD1-CE1 4.15Å; L226-Y250 HydrophobicContact CD1-CE2 4.22Å; L226-Y250 HydrophobicContact CG-CE1 4.37Å; P247-Y250 WeakPolarHBondContact O-CA 3.48Å; P247-Y250 WeakPolarHBondContact O-CB 3.48Å; P247-Y250 PolarHBondContact O-N 3.47Å; V248-Y250 VanDerWaalsContact C-N 3.25Å; V248-Y250 PolarHBondContact O-N 2.99Å; Y250-C263 HydrophobicContact CD1-CB 4.39Å; Y250-C264 CarbonylContact C-O 3.49Å; Y250-C264 VanDerWaalsContact CA-O 3.23Å; Y250-C264 WeakPolarHBondContact CA-O 3.24Å; Y250-P265 HydrophobicContact CD1-CG 4.2Å; Y250-P265 HydrophobicContact CE1-CB 4.22Å; Y250-P265 HydrophobicContact CE1-CG 3.63Å; Y250-K266 WeakPolarHBondContact O-CE 3.49Å
251	F	87.5	Confident	73	Confident	20 Å²	20	81.4 Å²	81.4	9%	0.088	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.1	169.7	77	-84.1	0	0	0	109.8	H253 C263 C264 P265 K266 G308 E310	F251-H253 HydrophobicContact CE2-CB 3.86Å; F251-H253 HydrophobicContact CZ-CB 4.2Å; F251-H253 PolarHBondContact O-N 3.01Å; F251-C263 WeakPolarHBondContact O-CA 3.49Å; F251-C264 HydrophobicContact CD1-CB 4.14Å; F251-C264 VanDerWaalsContact CD1-O 3.25Å; F251-C264 WeakPolarHBondContact CD1-O 3.28Å; F251-C264 HydrophobicContact CE1-CB 3.65Å; F251-C264 HydrophobicContact CZ-CB 3.87Å; F251-C264 PolarHBondContact N-O 2.81Å; F251-C264 PolarHBondContact O-N 3.43Å; F251-P265 WeakPolarHBondContact CD1-O 3.05Å; F251-P265 VanDerWaalsContact CE1-O 3.27Å; F251-P265 WeakPolarHBondContact CE1-O 3.4Å; F251-K266 HydrophobicContact CB-CG 4.08Å; F251-K266 HydrophobicContact CD1-CG 4.07Å; F251-G308 WeakPolarHBondContact CZ-O 3.44Å; F251-E310 HydrophobicContact CB-CG 3.52Å; F251-E310 WeakPolarHBondContact CB-OE1 3.44Å; F251-E310 HydrophobicContact CD1-CG 3.92Å; F251-E310 HydrophobicContact CD2-CG 3.51Å; F251-E310 HydrophobicContact CE2-CG 4.14Å; F251-E310 HydrophobicContact CG-CG 3.38Å
252	C	87.4	Confident	75.4	Confident	44 Å²	44	70.2 Å²	70.2	30%	0.297	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	105.9	173.1	-173.4	0	0	0	0	109.2	C236 C246 I254	C236-C252 VanDerWaalsContact C-SG 3.57Å; C236-C252 HydrophobicContact CB-CB 3.9Å; C236-C252 WeakPolarHBondContact CB-SG 3.18Å; C236-C252 WeakPolarHBondContact SG-CA 3.36Å; C236-C252 WeakPolarHBondContact SG-CB 3.31Å; C236-C252 CovalentContact SG-SG 2.03Å; C236-C252 PolarHBondContact SG-SG 2.85Å; C246-C252 VanDerWaalsContact SG-CA 3.56Å; C252-I254 HydrophobicContact CB-CD1 4.34Å; C252-I254 PolarHBondContact O-N 3.42Å; C252-I254 WeakPolarHBondContact SG-CD1 3.37Å
253	H	89	Confident	77.9	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.009	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.3	170.9	165.2	-72.7	0	0	0	108.4	P219 F251 G255 T260 T261 V262 C264 Y303 G305	P219-H253 WeakPolarHBondContact CB-CE1 3.37Å; P219-H253 PolarHBondContact O-CD2 3.05Å; P219-H253 VanDerWaalsContact O-CD2 3.27Å; P219-H253 PolarHBondContact O-NE2 3.14Å; P219-H253 VanDerWaalsContact O-NE2 3.12Å; F251-H253 HydrophobicContact CE2-CB 3.86Å; F251-H253 HydrophobicContact CZ-CB 4.2Å; F251-H253 PolarHBondContact O-N 3.01Å; H253-G255 PolarHBondContact ND1-N 2.98Å; H253-G255 PolarHBondContact O-N 2.82Å; H253-T260 PolarHBondContact CE1-O 3.12Å; H253-T260 VanDerWaalsContact CE1-O 3.26Å; H253-T260 PolarHBondContact ND1-O 2.78Å; H253-T261 CarbonylContact O-C 3.57Å; H253-T261 VanDerWaalsContact O-CA 3.23Å; H253-T261 WeakPolarHBondContact O-CA 3.35Å; H253-V262 WeakPolarHBondContact CB-O 3.29Å; H253-V262 PolarHBondContact N-O 2.7Å; H253-V262 PolarHBondContact O-N 2.74Å; H253-C264 HydrophobicContact CB-CB 3.87Å; H253-C264 WeakPolarHBondContact CB-SG 3.11Å; H253-Y303 PolarHBondContact CE1-OH 3.33Å; H253-Y303 AromaticContact NE2-CZ 3.85Å; H253-Y303 PolarHBondContact NE2-OH 3.06Å; H253-G305 PolarHBondContact CE1-O 2.96Å
254	I	79.2	Confident	80.2	Confident	26 Å²	26	55.5 Å²	55.5	13%	0.133	31%	0.309	C	S	.	.			trans	-95.5	98.2	179.1	-48.5	-60.4	0	0	0	110.5	C252 T261 R288 Y303 F314	C252-I254 HydrophobicContact CB-CD1 4.34Å; C252-I254 PolarHBondContact O-N 3.42Å; C252-I254 WeakPolarHBondContact SG-CD1 3.37Å; I254-T261 HydrophobicContact CD1-CG2 3.88Å; I254-T261 HydrophobicContact CG2-CG2 4.32Å; I254-R288 PolarHBondContact O-NH1 3.29Å; I254-R288 PolarHBondContact O-NH2 2.03Å; I254-Y303 VanDerWaalsContact O-CE1 3.26Å; I254-Y303 WeakPolarHBondContact O-CE1 3.49Å; I254-F314 HydrophobicContact CB-CE2 4.32Å; I254-F314 HydrophobicContact CB-CZ 4.01Å; I254-F314 HydrophobicContact CD1-CE2 3.91Å; I254-F314 HydrophobicContact CD1-CZ 3.87Å; I254-F314 HydrophobicContact CG1-CE2 3.6Å; I254-F314 HydrophobicContact CG1-CZ 3.69Å; I254-F314 HydrophobicContact CG2-CE1 3.65Å; I254-F314 HydrophobicContact CG2-CE2 4.01Å; I254-F314 HydrophobicContact CG2-CZ 3.23Å
255	G	78.2	Confident	82.1	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.031	28%	0.284	C	S	.	.			trans	-80.2	-154.4	175.9	0	0	0	0	0	113.7	H253 T260 T261 L286 R288 G305	H253-G255 PolarHBondContact ND1-N 2.98Å; H253-G255 PolarHBondContact O-N 2.82Å; G255-T260 WeakPolarHBondContact CA-O 3.37Å; G255-T260 WeakPolarHBondContact CA-OG1 3.36Å; G255-T260 PolarHBondContact N-O 3.43Å; G255-T261 PolarHBondContact N-OG1 3.03Å; G255-L286 WeakPolarHBondContact O-CD1 3.4Å; G255-R288 PolarHBondContact O-NH2 3.36Å; G255-G305 WeakPolarHBondContact CA-O 3.22Å
256	A	72.4	Confident	82.9	Confident	42 Å²	42	46.7 Å²	46.7	35%	0.347	27%	0.265	S	S	.	.	S	Bend	trans	-101.3	-20.2	-179.4	0	0	0	0	0	114.2	T260 E284 L286	A256-T260 PolarHBondContact N-OG1 2.85Å; A256-E284 HydrophobicContact CB-CB 3.67Å; A256-E284 HydrophobicContact CB-CG 3.44Å; A256-E284 VanDerWaalsContact CB-CG 3.44Å; A256-L286 HydrophobicContact CB-CD1 3.82Å; A256-L286 HydrophobicContact CB-CD2 4.26Å; A256-L286 HydrophobicContact CB-CG 4.42Å
257	S	75.4	Confident	82.4	Confident	54 Å²	54	51.5 Å²	51.5	38%	0.378	29%	0.285	S	S	.	.	S	Bend	trans	-135	163	177.7	60.8	0	0	0	0	109.4	V259 T260 T261	S257-V259 VanDerWaalsContact C-N 3.28Å; S257-V259 PolarHBondContact O-N 3.23Å; S257-V259 VanDerWaalsContact OG-CG2 3.31Å; S257-V259 WeakPolarHBondContact OG-CG2 3.42Å; S257-T260 PolarHBondContact N-OG1 3.01Å; S257-T260 CarbonylContact O-C 3.52Å; S257-T260 WeakPolarHBondContact O-CA 3.45Å; S257-T260 PolarHBondContact O-N 3.42Å; S257-T260 PolarHBondContact O-OG1 3.08Å; S257-T260 PolarHBondContact OG-OG1 2.83Å; S257-T260 VanDerWaalsContact OG-OG1 3.14Å; S257-T261 PolarHBondContact O-N 2.9Å; S257-T261 PolarHBondContact O-OG1 3.36Å
258	E	71.7	Confident	81.9	Confident	161 Å²	161	50.6 Å²	50.6	75%	0.752	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-54.1	-43	178.4	-61.5	-178.3	163.6	0	0	112	S235 T260 T261	S235-E258 PolarHBondContact OG-O 3.44Å; E258-T260 PolarHBondContact O-N 2.03Å; E258-T261 PolarHBondContact O-N 2.83Å
259	V	76.4	Confident	81.5	Confident	117 Å²	117	54 Å²	54	71%	0.709	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.1	-17.2	177.3	-60.5	0	0	0	0	114.6	S257	S257-V259 VanDerWaalsContact C-N 3.28Å; S257-V259 PolarHBondContact O-N 3.23Å; S257-V259 VanDerWaalsContact OG-CG2 3.31Å; S257-V259 WeakPolarHBondContact OG-CG2 3.42Å
260	T	81.9	Confident	80.9	Confident	11 Å²	11	52 Å²	52	7%	0.067	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-101.9	-1.9	172.3	58.6	0	0	0	0	112.8	P217 H253 G255 A256 S257 E258 L306	P217-T260 HydrophobicContact CG-CG2 4.35Å; H253-T260 PolarHBondContact CE1-O 3.12Å; H253-T260 VanDerWaalsContact CE1-O 3.26Å; H253-T260 PolarHBondContact ND1-O 2.78Å; G255-T260 WeakPolarHBondContact CA-O 3.37Å; G255-T260 WeakPolarHBondContact CA-OG1 3.36Å; G255-T260 PolarHBondContact N-O 3.43Å; A256-T260 PolarHBondContact N-OG1 2.85Å; S257-T260 PolarHBondContact N-OG1 3.01Å; S257-T260 CarbonylContact O-C 3.52Å; S257-T260 WeakPolarHBondContact O-CA 3.45Å; S257-T260 PolarHBondContact O-N 3.42Å; S257-T260 PolarHBondContact O-OG1 3.08Å; S257-T260 PolarHBondContact OG-OG1 2.83Å; S257-T260 VanDerWaalsContact OG-OG1 3.14Å; E258-T260 PolarHBondContact O-N 2.03Å; T260-L306 HydrophobicContact CG2-CD2 3.65Å
261	T	87.1	Confident	80.1	Confident	22 Å²	22	52.7 Å²	52.7	14%	0.135	30%	0.296	C	S	.	.	S	Bend	trans	-104	86.9	-179.1	-52.1	0	0	0	0	108	S235 C236 H253 I254 G255 S257 E258	S235-T261 VanDerWaalsContact CA-O 3.31Å; S235-T261 WeakPolarHBondContact CA-O 3.39Å; S235-T261 PolarHBondContact OG-O 3.13Å; C236-T261 PolarHBondContact N-O 2.92Å; C236-T261 VanDerWaalsContact N-O 3.07Å; C236-T261 WeakPolarHBondContact O-CG2 3.28Å; H253-T261 CarbonylContact O-C 3.57Å; H253-T261 VanDerWaalsContact O-CA 3.23Å; H253-T261 WeakPolarHBondContact O-CA 3.35Å; I254-T261 HydrophobicContact CD1-CG2 3.88Å; I254-T261 HydrophobicContact CG2-CG2 4.32Å; G255-T261 PolarHBondContact N-OG1 3.03Å; S257-T261 PolarHBondContact O-N 2.9Å; S257-T261 PolarHBondContact O-OG1 3.36Å; E258-T261 PolarHBondContact O-N 2.83Å
262	V	88.7	Confident	79.9	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.2	-160.8	-60.1	0	0	0	0	112	P219 P225 P233 V234 C236 H253 C264	P219-V262 HydrophobicContact CB-CG2 4.36Å; P219-V262 HydrophobicContact CG-CG2 3.34Å; P225-V262 HydrophobicContact CB-CB 4.44Å; P225-V262 HydrophobicContact CB-CG2 3.92Å; P225-V262 HydrophobicContact CG-CG2 3.98Å; P233-V262 HydrophobicContact CB-CB 4.37Å; P233-V262 HydrophobicContact CB-CG1 3.82Å; V234-V262 CarbonylContact O-C 3.47Å; V234-V262 VanDerWaalsContact O-CA 3.23Å; V234-V262 WeakPolarHBondContact O-CA 3.23Å; V234-V262 WeakPolarHBondContact O-CB 3.49Å; C236-V262 PolarHBondContact SG-O 2.84Å; H253-V262 WeakPolarHBondContact CB-O 3.29Å; H253-V262 PolarHBondContact N-O 2.7Å; H253-V262 PolarHBondContact O-N 2.74Å; V262-C264 PolarHBondContact O-N 3.35Å
263	C	91.5	Very high	79.7	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.4	177	-67.1	0	0	0	0	111.7	P225 L226 V234 C246 Y250 F251	P225-C263 WeakPolarHBondContact CA-O 3.37Å; L226-C263 HydrophobicContact CB-CB 4Å; L226-C263 HydrophobicContact CD2-CB 4.32Å; L226-C263 PolarHBondContact N-O 2.95Å; V234-C263 HydrophobicContact CB-CB 4.44Å; V234-C263 HydrophobicContact CG1-CB 4.42Å; V234-C263 PolarHBondContact O-N 3.25Å; C246-C263 WeakPolarHBondContact CA-SG 3Å; C246-C263 HydrophobicContact CB-CB 3.74Å; C246-C263 WeakPolarHBondContact CB-SG 3.34Å; C246-C263 WeakPolarHBondContact SG-CA 3.01Å; C246-C263 WeakPolarHBondContact SG-CB 3.19Å; C246-C263 CovalentContact SG-SG 2.04Å; C246-C263 PolarHBondContact SG-SG 3.16Å; Y250-C263 HydrophobicContact CD1-CB 4.39Å; F251-C263 WeakPolarHBondContact O-CA 3.49Å
264	C	90.8	Very high	79.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.7	179.2	-75.9	0	0	0	0	112.2	C220 Y250 F251 H253 V262	C220-C264 WeakPolarHBondContact CA-SG 3.43Å; C220-C264 HydrophobicContact CB-CB 3.61Å; C220-C264 WeakPolarHBondContact CB-SG 3.36Å; C220-C264 WeakPolarHBondContact SG-CA 3.01Å; C220-C264 WeakPolarHBondContact SG-CB 3.48Å; C220-C264 CovalentContact SG-SG 2.03Å; C220-C264 PolarHBondContact SG-SG 3.25Å; Y250-C264 CarbonylContact C-O 3.49Å; Y250-C264 VanDerWaalsContact CA-O 3.23Å; Y250-C264 WeakPolarHBondContact CA-O 3.24Å; F251-C264 HydrophobicContact CD1-CB 4.14Å; F251-C264 VanDerWaalsContact CD1-O 3.25Å; F251-C264 WeakPolarHBondContact CD1-O 3.28Å; F251-C264 HydrophobicContact CE1-CB 3.65Å; F251-C264 HydrophobicContact CZ-CB 3.87Å; F251-C264 PolarHBondContact N-O 2.81Å; F251-C264 PolarHBondContact O-N 3.43Å; H253-C264 HydrophobicContact CB-CB 3.87Å; H253-C264 WeakPolarHBondContact CB-SG 3.11Å; V262-C264 PolarHBondContact O-N 3.35Å
265	P	90.1	Very high	79.6	Confident	14 Å²	14	57.6 Å²	57.6	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	148.1	177.5	-24.1	34.1	0	0	0	113	Y222 V224 Y250 F251	Y222-P265 HydrophobicContact CD1-CB 4.49Å; Y222-P265 VanDerWaalsContact CE1-C 3.48Å; Y222-P265 HydrophobicContact CE1-CB 3.61Å; Y222-P265 VanDerWaalsContact CE1-O 3.24Å; Y222-P265 WeakPolarHBondContact CE1-O 3.43Å; Y222-P265 HydrophobicContact CE2-CB 4.1Å; Y222-P265 WeakPolarHBondContact OH-CB 3.38Å; V224-P265 VanDerWaalsContact O-CD 3.23Å; V224-P265 WeakPolarHBondContact O-CD 3.47Å; V224-P265 WeakPolarHBondContact O-CG 3.5Å; Y250-P265 HydrophobicContact CD1-CG 4.2Å; Y250-P265 HydrophobicContact CE1-CB 4.22Å; Y250-P265 HydrophobicContact CE1-CG 3.63Å; F251-P265 WeakPolarHBondContact CD1-O 3.05Å; F251-P265 VanDerWaalsContact CE1-O 3.27Å; F251-P265 WeakPolarHBondContact CE1-O 3.4Å
266	K	83.7	Confident	79.9	Confident	65 Å²	65	60.8 Å²	60.8	28%	0.283	34%	0.339	S	S	.	.			trans	-92.8	135.2	176.2	-70	-179.9	178	-107.9	0	112.8	Y222 N249 Y250 F251 G268 E310	Y222-K266 VanDerWaalsContact CE1-C 3.4Å; Y222-K266 PolarHBondContact OH-O 2.68Å; N249-K266 WeakPolarHBondContact O-CB 3.38Å; N249-K266 PolarHBondContact O-N 3.39Å; Y250-K266 WeakPolarHBondContact O-CE 3.49Å; F251-K266 HydrophobicContact CB-CG 4.08Å; F251-K266 HydrophobicContact CD1-CG 4.07Å; K266-G268 PolarHBondContact O-N 3.1Å; K266-E310 IonicContact NZ-OE1 3.83Å; K266-E310 PolarHBondContact NZ-OE1 3.03Å; K266-E310 IonicContact NZ-OE2 3.69Å; K266-E310 PolarHBondContact NZ-OE2 3.1Å
267	E	70.9	Confident	80.6	Confident	121 Å²	121	59.8 Å²	59.8	57%	0.565	33%	0.327	S	S	*	.	S	Bend	trans	-77.5	59	-175.6	-159.4	169	-179.1	0	0	111.9	Y222	Y222-E267 HydrophobicContact CD1-CB 4.18Å; Y222-E267 HydrophobicContact CD1-CG 4.41Å; Y222-E267 HydrophobicContact CE1-CB 4.14Å
268	G	71.4	Confident	81.1	Confident	49 Å²	49	59.6 Å²	59.6	51%	0.505	32%	0.321	S	S	.	.	S	Bend	trans	79.7	-171.2	-170.1	0	0	0	0	0	113.7	K266 V270	K266-G268 PolarHBondContact O-N 3.1Å; G268-V270 PolarHBondContact O-N 2.86Å; G268-V270 VanDerWaalsContact O-N 3.07Å
269	E	67.8	Low	81.6	Confident	200 Å²	200	54.3 Å²	54.3	94%	0.935	30%	0.3	S	S	*	.	S	Bend	trans	-80.3	31.6	177.7	-62.4	-170.5	148.4	0	0	113.1	N271	E269-N271 PolarHBondContact O-N 3.12Å
270	V	66.9	Low	81.9	Confident	69 Å²	69	49.6 Å²	49.6	42%	0.418	28%	0.275	S	S	.	.			trans	-76.7	116.4	179.4	-175.8	0	0	0	0	109.7	G268 R272 Q274 Q275	G268-V270 PolarHBondContact O-N 2.86Å; G268-V270 VanDerWaalsContact O-N 3.07Å; V270-R272 PolarHBondContact O-N 2.99Å; V270-Q274 HydrophobicContact CG1-CB 4.36Å; V270-Q275 HydrophobicContact CB-CG 4.4Å; V270-Q275 HydrophobicContact CG1-CG 3.92Å; V270-Q275 PolarHBondContact O-NE2 2.98Å
271	N	74	Confident	81.7	Confident	84 Å²	84	52 Å²	52	45%	0.449	29%	0.287	S	S	.	.			trans	-50.1	130.8	177.3	176.2	-36.4	0	0	0	111.2	E269 C273 Q274 Q275	E269-N271 PolarHBondContact O-N 3.12Å; N271-C273 PolarHBondContact O-N 3.46Å; N271-C273 VanDerWaalsContact O-N 3.1Å; N271-C273 WeakPolarHBondContact OD1-CB 3.37Å; N271-C273 PolarHBondContact OD1-N 3.05Å; N271-Q274 HydrophobicContact CB-CB 4.45Å; N271-Q274 HydrophobicContact CB-CG 3.94Å; N271-Q274 WeakPolarHBondContact O-CA 3.38Å; N271-Q274 WeakPolarHBondContact O-CB 3.46Å; N271-Q274 PolarHBondContact O-N 3.33Å; N271-Q275 PolarHBondContact O-N 3.14Å
272	R	82.5	Confident	81.1	Confident	58 Å²	58	51.2 Å²	51.2	22%	0.219	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-53.4	-34.1	-175.9	68.2	-176.3	-62.3	-157.3	1.6	114.7	V270 Q274 Q275 E310 N311 N312 F313 E318	V270-R272 PolarHBondContact O-N 2.99Å; R272-Q274 PolarHBondContact O-N 3.09Å; R272-Q275 PolarHBondContact O-N 3.33Å; R272-E310 HydrophobicContact CB-CB 3.3Å; R272-E310 HydrophobicContact CB-CG 4.37Å; R272-E310 HydrophobicContact CG-CB 4.46Å; R272-E310 PolarHBondContact NE-O 3.49Å; R272-E310 PolarHBondContact NH2-O 3.19Å; R272-N311 VanDerWaalsContact O-CB 3.26Å; R272-N311 WeakPolarHBondContact O-CB 3.27Å; R272-N312 PolarHBondContact NH2-O 3.45Å; R272-F313 HydrophobicContact CG-CZ 4.31Å; R272-F313 VanDerWaalsContact NH2-CD1 3.34Å; R272-F313 VanDerWaalsContact NH2-CE1 3.31Å; R272-E318 IonicContact NH1-OE1 3.31Å; R272-E318 IonicContact NH2-OE1 2.87Å
273	C	84.5	Confident	80	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.068	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-76.1	-7.9	177.8	-52.5	0	0	0	0	113.5	N271 F291 C323	N271-C273 PolarHBondContact O-N 3.46Å; N271-C273 VanDerWaalsContact O-N 3.1Å; N271-C273 WeakPolarHBondContact OD1-CB 3.37Å; N271-C273 PolarHBondContact OD1-N 3.05Å; C273-F291 HydrophobicContact CB-CB 4.3Å; C273-F291 HydrophobicContact CB-CD1 4.16Å; C273-F291 HydrophobicContact CB-CG 4.24Å; C273-F291 VanDerWaalsContact O-CD1 3.28Å; C273-F291 WeakPolarHBondContact O-CD1 3.25Å; C273-C323 HydrophobicContact CB-CB 3.76Å; C273-C323 WeakPolarHBondContact CB-SG 3.41Å; C273-C323 WeakPolarHBondContact SG-CA 3.18Å; C273-C323 WeakPolarHBondContact SG-CB 3.17Å; C273-C323 CovalentContact SG-SG 2.03Å; C273-C323 PolarHBondContact SG-SG 2.81Å
274	Q	81.1	Confident	79	Confident	106 Å²	106	58.4 Å²	58.4	50%	0.495	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-104.3	-8.7	176.8	-52.9	-175.9	-24.5	0	0	112.9	V270 N271 R272	V270-Q274 HydrophobicContact CG1-CB 4.36Å; N271-Q274 HydrophobicContact CB-CB 4.45Å; N271-Q274 HydrophobicContact CB-CG 3.94Å; N271-Q274 WeakPolarHBondContact O-CA 3.38Å; N271-Q274 WeakPolarHBondContact O-CB 3.46Å; N271-Q274 PolarHBondContact O-N 3.33Å; R272-Q274 PolarHBondContact O-N 3.09Å
275	Q	85.2	Confident	78.2	Confident	20 Å²	20	62.3 Å²	62.3	9%	0.093	34%	0.34	C	S	.	.	S	Bend	trans	-73.5	144.5	175.2	-60.1	172.7	13.1	0	0	110	V270 N271 R272 E310 N311	V270-Q275 HydrophobicContact CB-CG 4.4Å; V270-Q275 HydrophobicContact CG1-CG 3.92Å; V270-Q275 PolarHBondContact O-NE2 2.98Å; N271-Q275 PolarHBondContact O-N 3.14Å; R272-Q275 PolarHBondContact O-N 3.33Å; Q275-E310 PolarHBondContact NE2-OE2 3.39Å; Q275-N311 HydrophobicContact CB-CB 4.26Å; Q275-N311 PolarHBondContact O-ND2 3.19Å
276	A	83.2	Confident	77.6	Confident	71 Å²	71	63.5 Å²	63.5	59%	0.587	35%	0.345	S	S	*	.			trans	-66.7	149.5	179.9	0	0	0	0	0	112.2	L278 N309	A276-L278 PolarHBondContact O-N 3.3Å; A276-L278 VanDerWaalsContact O-N 3.1Å; A276-N309 PolarHBondContact O-ND2 3.06Å
277	Q	87.9	Confident	77.5	Confident	21 Å²	21	65 Å²	65	10%	0.098	36%	0.356	C	S	.	.			trans	-68.1	108.9	176.1	-178.1	-88.3	-52.8	0	0	111.2	T279 Y290 F301 R769	Q277-T279 VanDerWaalsContact NE2-N 3.19Å; Q277-T279 PolarHBondContact NE2-OG1 3.16Å; Q277-T279 VanDerWaalsContact NE2-OG1 3.12Å; Q277-Y290 HydrophobicContact CB-CD1 4.38Å; Q277-Y290 HydrophobicContact CB-CD2 3.53Å; Q277-Y290 HydrophobicContact CB-CE2 3.73Å; Q277-Y290 HydrophobicContact CB-CG 3.87Å; Q277-Y290 HydrophobicContact CG-CD1 3.64Å; Q277-Y290 HydrophobicContact CG-CD2 3.74Å; Q277-Y290 HydrophobicContact CG-CE1 3.91Å; Q277-Y290 HydrophobicContact CG-CE2 4.02Å; Q277-Y290 HydrophobicContact CG-CG 3.53Å; Q277-F301 HydrophobicContact CG-CD1 4.33Å; Q277-F301 HydrophobicContact CG-CD2 4.33Å; Q277-F301 HydrophobicContact CG-CG 4.22Å; Q277-R769 PolarHBondContact O-NH2 2.9Å
278	L	85.5	Confident	78.4	Confident	49 Å²	49	59.9 Å²	59.9	26%	0.257	33%	0.331	S	S	.	.			trans	-96.9	118.4	173.8	-105.9	80.4	0	0	0	111.8	N221 A276 G280 F301 K307	N221-L278 WeakPolarHBondContact OD1-CD2 3.48Å; A276-L278 PolarHBondContact O-N 3.3Å; A276-L278 VanDerWaalsContact O-N 3.1Å; L278-G280 PolarHBondContact O-N 3.04Å; L278-F301 VanDerWaalsContact O-CE2 3.28Å; L278-F301 WeakPolarHBondContact O-CE2 3.3Å; L278-K307 WeakPolarHBondContact CD2-O 3.29Å
279	T	82.3	Confident	79.2	Confident	51 Å²	51	60.2 Å²	60.2	31%	0.313	32%	0.317	S	S	.	.			trans	-68.3	-23.5	172.8	-52.3	0	0	0	0	112.2	Q277 F302 Y303 R304	Q277-T279 VanDerWaalsContact NE2-N 3.19Å; Q277-T279 PolarHBondContact NE2-OG1 3.16Å; Q277-T279 VanDerWaalsContact NE2-OG1 3.12Å; T279-F302 WeakPolarHBondContact CG2-O 3.02Å; T279-Y303 VanDerWaalsContact O-CD2 3.32Å; T279-Y303 WeakPolarHBondContact O-CD2 3.24Å; T279-R304 HydrophobicContact CG2-CG 4.34Å; T279-R304 PolarHBondContact O-N 3.31Å
280	G	82.5	Confident	80.3	Confident	18 Å²	18	52 Å²	52	19%	0.186	28%	0.278	C	S	.	.			trans	76.1	-174.5	-178.8	0	0	0	0	0	114.5	L278 L306	L278-G280 PolarHBondContact O-N 3.04Å; G280-L306 CarbonylContact C-O 3.56Å; G280-L306 WeakPolarHBondContact CA-O 3.4Å
281	I	77.8	Confident	81.2	Confident	60 Å²	60	49.2 Å²	49.2	31%	0.308	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-119.7	179.6	170.7	73	179	0	0	0	109.7	L185 R304 L306 K307	L185-I281 HydrophobicContact CD2-CD1 4.21Å; I281-R304 VanDerWaalsContact C-CB 3.43Å; I281-R304 CarbonylContact O-C 3.6Å; I281-R304 WeakPolarHBondContact O-CB 3.48Å; I281-L306 HydrophobicContact CG1-CB 3.85Å; I281-L306 HydrophobicContact CG1-CD1 4.36Å; I281-L306 PolarHBondContact N-O 3.04Å; I281-L306 WeakPolarHBondContact O-CB 3.06Å; I281-L306 PolarHBondContact O-N 2.92Å; I281-K307 HydrophobicContact CD1-CG 3.55Å; I281-K307 HydrophobicContact CG1-CB 4.14Å; I281-K307 HydrophobicContact CG1-CG 3.57Å
282	G	73.9	Confident	81.6	Confident	6 Å²	6	46.2 Å²	46.2	6%	0.062	24%	0.244	C	C	.	.	S	Bend	trans	106.7	174	-175	0	0	0	0	0	112.2	R304	G282-R304 CarbonylContact C-O 3.55Å; G282-R304 WeakPolarHBondContact CA-O 3.35Å; G282-R304 PolarHBondContact O-NE 3.37Å; G282-R304 PolarHBondContact O-NH2 3.4Å
283	N	66.3	Low	81.3	Confident	71 Å²	71	48 Å²	48	38%	0.38	26%	0.255	S	S	.	.	S	Bend	trans	-103.8	6.2	-173.5	-67	-30.7	0	0	0	113.6	C188	C188-N283 PolarHBondContact O-ND2 3.04Å
284	E	71.1	Confident	80.5	Confident	83 Å²	83	55.2 Å²	55.2	39%	0.388	29%	0.291	S	S	.	.			trans	-96.4	163.5	-174.1	-54.5	-63.5	152.2	0	0	110.1	A256 R304	A256-E284 HydrophobicContact CB-CB 3.67Å; A256-E284 HydrophobicContact CB-CG 3.44Å; A256-E284 VanDerWaalsContact CB-CG 3.44Å; E284-R304 PolarHBondContact N-O 2.86Å; E284-R304 VanDerWaalsContact O-CA 3.26Å; E284-R304 WeakPolarHBondContact O-CA 3.44Å
285	L	73.2	Confident	80	Confident	83 Å²	83	53 Å²	53	44%	0.435	28%	0.282	S	S	.	.			trans	-138.4	84.3	179.9	-72.2	176.4	0	0	0	110.9	F302 N874	L285-F302 HydrophobicContact CD2-CB 4.19Å; L285-N874 HydrophobicContact CD1-CB 3.88Å; L285-N874 WeakPolarHBondContact CD1-ND2 3.3Å
286	L	77.9	Confident	79.1	Confident	39 Å²	39	55.3 Å²	55.3	20%	0.204	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.3	-174.5	-49.9	174.8	0	0	0	109.6	G255 A256 R288 F302 Y303	G255-L286 WeakPolarHBondContact O-CD1 3.4Å; A256-L286 HydrophobicContact CB-CD1 3.82Å; A256-L286 HydrophobicContact CB-CD2 4.26Å; A256-L286 HydrophobicContact CB-CG 4.42Å; L286-R288 HydrophobicContact CB-CG 4.5Å; L286-R288 VanDerWaalsContact CD1-NH2 3.26Å; L286-R288 PolarHBondContact O-N 3.02Å; L286-F302 WeakPolarHBondContact O-CA 3.41Å; L286-Y303 HydrophobicContact CD1-CD1 4.16Å; L286-Y303 PolarHBondContact N-O 2.04Å; L286-Y303 PolarHBondContact O-N 3.27Å
287	L	81.6	Confident	78.6	Confident	97 Å²	97	54.3 Å²	54.3	51%	0.508	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.9	173.6	-178.2	63.7	0	0	0	109.8	F300 F302	L287-F300 HydrophobicContact CD1-CB 4.02Å; L287-F300 HydrophobicContact CD1-CD2 3.54Å; L287-F300 HydrophobicContact CD1-CE2 4.37Å; L287-F300 HydrophobicContact CD1-CG 4.08Å; L287-F302 HydrophobicContact CD1-CE1 4.26Å
288	R	89.2	Confident	78.3	Confident	13 Å²	13	53.9 Å²	53.9	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	166.5	-177.5	-63.3	-66.2	172.9	73.6	2.8	110.8	I254 G255 L286 F300 F301 N312 F313	I254-R288 PolarHBondContact O-NH1 3.29Å; I254-R288 PolarHBondContact O-NH2 2.03Å; G255-R288 PolarHBondContact O-NH2 3.36Å; L286-R288 HydrophobicContact CB-CG 4.5Å; L286-R288 VanDerWaalsContact CD1-NH2 3.26Å; L286-R288 PolarHBondContact O-N 3.02Å; R288-F300 CarbonylContact O-C 3.49Å; R288-F300 WeakPolarHBondContact O-CA 3.39Å; R288-F301 HydrophobicContact CB-CD1 4.07Å; R288-F301 HydrophobicContact CB-CE1 3.62Å; R288-F301 HydrophobicContact CB-CZ 4.01Å; R288-F301 PolarHBondContact N-O 2.8Å; R288-F301 PolarHBondContact O-N 3.18Å; R288-F301 VanDerWaalsContact O-O 3.14Å; R288-N312 WeakPolarHBondContact CB-OD1 3.03Å; R288-N312 VanDerWaalsContact CD-OD1 3.26Å; R288-N312 WeakPolarHBondContact CD-OD1 3.37Å; R288-N312 WeakPolarHBondContact CG-OD1 3.49Å; R288-N312 PolarHBondContact NH1-OD1 2.86Å; R288-F313 CarbonylContact C-O 3.6Å; R288-F313 WeakPolarHBondContact CA-O 3.43Å; R288-F313 WeakPolarHBondContact CB-O 3.36Å; R288-F313 WeakPolarHBondContact CD-O 3.27Å
289	W	88.1	Confident	78	Confident	56 Å²	56	57.1 Å²	57.1	21%	0.212	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.3	176.8	-66.1	78.7	0	0	0	111	R299 F300 N312 F313 S315 K316 C319	W289-R299 CarbonylContact C-O 3.5Å; W289-R299 VanDerWaalsContact CA-O 3.32Å; W289-R299 WeakPolarHBondContact CA-O 3.32Å; W289-F300 HydrophobicContact CD2-CB 3.93Å; W289-F300 HydrophobicContact CE3-CB 4.12Å; W289-F300 HydrophobicContact CH2-CB 4.17Å; W289-F300 HydrophobicContact CH2-CD1 4.45Å; W289-F300 HydrophobicContact CZ2-CB 3.99Å; W289-F300 HydrophobicContact CZ3-CB 4.23Å; W289-N312 WeakPolarHBondContact O-CA 3.39Å; W289-F313 HydrophobicContact CB-CB 4.25Å; W289-F313 PolarHBondContact N-O 3.02Å; W289-F313 WeakPolarHBondContact O-CD2 3.47Å; W289-F313 PolarHBondContact O-N 2.04Å; W289-S315 VanDerWaalsContact CD1-CA 3.5Å; W289-K316 HydrophobicContact CD2-CB 3.72Å; W289-K316 HydrophobicContact CD2-CG 4.41Å; W289-K316 HydrophobicContact CE3-CB 3.72Å; W289-K316 HydrophobicContact CE3-CD 4.49Å; W289-K316 HydrophobicContact CE3-CG 3.89Å; W289-K316 HydrophobicContact CG-CB 4.43Å; W289-K316 HydrophobicContact CH2-CB 3.88Å; W289-K316 HydrophobicContact CH2-CD 3.87Å; W289-K316 HydrophobicContact CH2-CG 4.1Å; W289-K316 HydrophobicContact CZ2-CB 3.86Å; W289-K316 HydrophobicContact CZ3-CB 3.81Å; W289-K316 HydrophobicContact CZ3-CD 3.81Å; W289-K316 HydrophobicContact CZ3-CG 3.73Å; W289-C319 HydrophobicContact CB-CB 4.17Å
290	Y	91.4	Very high	78.3	Confident	28 Å²	28	60.5 Å²	60.5	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.9	176	81.8	-82.8	0	0	0	110.6	Q277 N292 C298 R299 F301 N311 C319	Q277-Y290 HydrophobicContact CB-CD1 4.38Å; Q277-Y290 HydrophobicContact CB-CD2 3.53Å; Q277-Y290 HydrophobicContact CB-CE2 3.73Å; Q277-Y290 HydrophobicContact CB-CG 3.87Å; Q277-Y290 HydrophobicContact CG-CD1 3.64Å; Q277-Y290 HydrophobicContact CG-CD2 3.74Å; Q277-Y290 HydrophobicContact CG-CE1 3.91Å; Q277-Y290 HydrophobicContact CG-CE2 4.02Å; Q277-Y290 HydrophobicContact CG-CG 3.53Å; Y290-N292 HydrophobicContact CE2-CB 3.77Å; Y290-C298 CarbonylContact O-C 3.48Å; Y290-C298 WeakPolarHBondContact O-CA 3.41Å; Y290-R299 HydrophobicContact CD1-CB 4.23Å; Y290-R299 WeakPolarHBondContact CD1-O 3.46Å; Y290-R299 HydrophobicContact CE1-CB 3.67Å; Y290-R299 PolarHBondContact N-O 2.03Å; Y290-R299 PolarHBondContact O-N 3.11Å; Y290-F301 HydrophobicContact CD1-CB 4.33Å; Y290-F301 AromaticContact CD1-CD1 3.77Å; Y290-F301 HydrophobicContact CD1-CD1 3.77Å; Y290-F301 HydrophobicContact CD1-CE1 4.47Å; Y290-F301 HydrophobicContact CD1-CG 4.34Å; Y290-F301 HydrophobicContact CG-CD1 4.35Å; Y290-N311 WeakPolarHBondContact CA-OD1 3.41Å; Y290-N311 VanDerWaalsContact CB-O 3.24Å; Y290-N311 WeakPolarHBondContact CB-O 3.43Å; Y290-C319 VanDerWaalsContact C-SG 3.54Å
291	F	86.4	Confident	78.5	Confident	9 Å²	9	60.3 Å²	60.3	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.5	173.3	-172.6	-94	0	0	0	110.7	C273 Q293 Q296 N311 C323 F324	C273-F291 HydrophobicContact CB-CB 4.3Å; C273-F291 HydrophobicContact CB-CD1 4.16Å; C273-F291 HydrophobicContact CB-CG 4.24Å; C273-F291 VanDerWaalsContact O-CD1 3.28Å; C273-F291 WeakPolarHBondContact O-CD1 3.25Å; F291-Q293 HydrophobicContact CD1-CG 4.14Å; F291-Q293 HydrophobicContact CE1-CG 4.25Å; F291-Q296 HydrophobicContact CZ-CB 4.34Å; F291-N311 PolarHBondContact N-OD1 3.38Å; F291-N311 PolarHBondContact O-ND2 2.85Å; F291-C323 HydrophobicContact CB-CB 4.12Å; F291-C323 HydrophobicContact CD2-CB 3.22Å; F291-C323 HydrophobicContact CE2-CB 3.63Å; F291-C323 HydrophobicContact CG-CB 3.73Å; F291-C323 HydrophobicContact CZ-CB 4.45Å; F291-F324 HydrophobicContact CD2-CE2 4.22Å; F291-F324 HydrophobicContact CD2-CZ 4.13Å; F291-F324 HydrophobicContact CE2-CD1 4.19Å; F291-F324 HydrophobicContact CE2-CD2 4.44Å; F291-F324 AromaticContact CE2-CE1 3.65Å; F291-F324 HydrophobicContact CE2-CE1 3.65Å; F291-F324 AromaticContact CE2-CE2 3.88Å; F291-F324 HydrophobicContact CE2-CE2 3.88Å; F291-F324 AromaticContact CE2-CZ 3.46Å; F291-F324 HydrophobicContact CE2-CZ 3.46Å; F291-F324 VanDerWaalsContact CE2-CZ 3.46Å; F291-F324 HydrophobicContact CZ-CE1 4.27Å; F291-F324 HydrophobicContact CZ-CZ 4.42Å
292	N	82.7	Confident	78.7	Confident	22 Å²	22	62.7 Å²	62.7	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.2	174.4	-177.7	18.1	0	0	0	110.2	Y290 I294 D295 Q296 T297	Y290-N292 HydrophobicContact CE2-CB 3.77Å; N292-I294 VanDerWaalsContact C-N 3.3Å; N292-I294 PolarHBondContact O-N 3.04Å; N292-I294 PolarHBondContact OD1-N 3.41Å; N292-D295 WeakPolarHBondContact CB-OD1 3.13Å; N292-D295 VanDerWaalsContact CG-OD1 3.23Å; N292-D295 PolarHBondContact ND2-OD1 2.57Å; N292-D295 PolarHBondContact ND2-OD2 2.73Å; N292-D295 VanDerWaalsContact ND2-OD2 3.17Å; N292-Q296 WeakPolarHBondContact O-CA 3.29Å; N292-Q296 PolarHBondContact O-N 3.16Å; N292-T297 WeakPolarHBondContact CB-O 3.48Å; N292-T297 PolarHBondContact N-O 2.86Å; N292-T297 PolarHBondContact O-N 3.42Å
293	Q	75.4	Confident	79.2	Confident	94 Å²	94	62.4 Å²	62.4	44%	0.439	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.1	-179.4	-62.3	-159.6	-67.7	0	0	114.2	F291 Q296	F291-Q293 HydrophobicContact CD1-CG 4.14Å; F291-Q293 HydrophobicContact CE1-CG 4.25Å; Q293-Q296 PolarHBondContact O-NE2 2.97Å
294	I	66.8	Low	80.1	Confident	162 Å²	162	64 Å²	64	83%	0.831	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-37	-172.2	-61.1	172.3	0	0	0	111.3	N292	N292-I294 VanDerWaalsContact C-N 3.3Å; N292-I294 PolarHBondContact O-N 3.04Å; N292-I294 PolarHBondContact OD1-N 3.41Å
295	D	71.5	Confident	80.6	Confident	59 Å²	59	60.1 Å²	60.1	32%	0.316	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	2.1	178	66	3	0	0	0	113.7	N292 T297 R299	N292-D295 WeakPolarHBondContact CB-OD1 3.13Å; N292-D295 VanDerWaalsContact CG-OD1 3.23Å; N292-D295 PolarHBondContact ND2-OD1 2.57Å; N292-D295 PolarHBondContact ND2-OD2 2.73Å; N292-D295 VanDerWaalsContact ND2-OD2 3.17Å; D295-T297 HydrophobicContact CB-CG2 4.44Å; D295-T297 WeakPolarHBondContact OD1-CB 3.47Å; D295-T297 PolarHBondContact OD1-N 2.87Å; D295-T297 VanDerWaalsContact OD1-N 3.14Å; D295-T297 PolarHBondContact OD1-OG1 2.96Å; D295-T297 PolarHBondContact OD2-OG1 2.95Å; D295-T297 VanDerWaalsContact OD2-OG1 3.09Å; D295-R299 IonicContact OD2-CZ 2.63Å; D295-R299 IonicContact OD2-NE 2.86Å; D295-R299 PolarHBondContact OD2-NE 3.3Å; D295-R299 VanDerWaalsContact OD2-NE 3.08Å; D295-R299 IonicContact OD2-NH2 3.64Å; D295-R299 PolarHBondContact OD2-NH2 2.66Å
296	Q	67.4	Low	81.2	Confident	69 Å²	69	56.6 Å²	56.6	32%	0.322	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	51.3	-177.3	-56.3	-75.4	-58.9	0	0	112	F291 N292 Q293 F324	F291-Q296 HydrophobicContact CZ-CB 4.34Å; N292-Q296 WeakPolarHBondContact O-CA 3.29Å; N292-Q296 PolarHBondContact O-N 3.16Å; Q293-Q296 PolarHBondContact O-NE2 2.97Å; Q296-F324 WeakPolarHBondContact O-CE1 3.03Å; Q296-F324 WeakPolarHBondContact O-CZ 3.02Å
297	T	72.4	Confident	81.6	Confident	51 Å²	51	56.8 Å²	56.8	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.9	177.5	65.4	0	0	0	0	113.2	N292 D295 R299	N292-T297 WeakPolarHBondContact CB-O 3.48Å; N292-T297 PolarHBondContact N-O 2.86Å; N292-T297 PolarHBondContact O-N 3.42Å; D295-T297 HydrophobicContact CB-CG2 4.44Å; D295-T297 WeakPolarHBondContact OD1-CB 3.47Å; D295-T297 PolarHBondContact OD1-N 2.87Å; D295-T297 VanDerWaalsContact OD1-N 3.14Å; D295-T297 PolarHBondContact OD1-OG1 2.96Å; D295-T297 PolarHBondContact OD2-OG1 2.95Å; D295-T297 VanDerWaalsContact OD2-OG1 3.09Å; T297-R299 WeakPolarHBondContact OG1-CG 3.27Å; T297-R299 PolarHBondContact OG1-NE 3.03Å
298	C	81.5	Confident	81.8	Confident	11 Å²	11	52.2 Å²	52.2	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.5	166.8	-78	0	0	0	0	110.2	Y290 C319 E320	Y290-C298 CarbonylContact O-C 3.48Å; Y290-C298 WeakPolarHBondContact O-CA 3.41Å; C298-C319 HydrophobicContact CB-CB 3.83Å; C298-C319 WeakPolarHBondContact CB-SG 3.28Å; C298-C319 WeakPolarHBondContact SG-CB 3.14Å; C298-C319 CovalentContact SG-SG 2.04Å; C298-C319 PolarHBondContact SG-SG 2.77Å; C298-E320 HydrophobicContact CB-CG 3.9Å; C298-E320 PolarHBondContact SG-N 2.84Å
299	R	79.3	Confident	81.7	Confident	118 Å²	118	52.2 Å²	52.2	45%	0.445	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.8	-176	-65.9	179.3	171.4	-141.9	-2.7	110.9	W289 Y290 D295 T297	W289-R299 CarbonylContact C-O 3.5Å; W289-R299 VanDerWaalsContact CA-O 3.32Å; W289-R299 WeakPolarHBondContact CA-O 3.32Å; Y290-R299 HydrophobicContact CD1-CB 4.23Å; Y290-R299 WeakPolarHBondContact CD1-O 3.46Å; Y290-R299 HydrophobicContact CE1-CB 3.67Å; Y290-R299 PolarHBondContact N-O 2.03Å; Y290-R299 PolarHBondContact O-N 3.11Å; D295-R299 IonicContact OD2-CZ 2.63Å; D295-R299 IonicContact OD2-NE 2.86Å; D295-R299 PolarHBondContact OD2-NE 3.3Å; D295-R299 VanDerWaalsContact OD2-NE 3.08Å; D295-R299 IonicContact OD2-NH2 3.64Å; D295-R299 PolarHBondContact OD2-NH2 2.66Å; T297-R299 WeakPolarHBondContact OG1-CG 3.27Å; T297-R299 PolarHBondContact OG1-NE 3.03Å
300	F	87.9	Confident	81.7	Confident	121 Å²	121	50.5 Å²	50.5	53%	0.531	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	155.9	176.8	79.4	-93.3	0	0	0	112.8	L287 R288 W289 F302	L287-F300 HydrophobicContact CD1-CB 4.02Å; L287-F300 HydrophobicContact CD1-CD2 3.54Å; L287-F300 HydrophobicContact CD1-CE2 4.37Å; L287-F300 HydrophobicContact CD1-CG 4.08Å; R288-F300 CarbonylContact O-C 3.49Å; R288-F300 WeakPolarHBondContact O-CA 3.39Å; W289-F300 HydrophobicContact CD2-CB 3.93Å; W289-F300 HydrophobicContact CE3-CB 4.12Å; W289-F300 HydrophobicContact CH2-CB 4.17Å; W289-F300 HydrophobicContact CH2-CD1 4.45Å; W289-F300 HydrophobicContact CZ2-CB 3.99Å; W289-F300 HydrophobicContact CZ3-CB 4.23Å; F300-F302 HydrophobicContact CE2-CE2 4.44Å
301	F	86.1	Confident	81.6	Confident	15 Å²	15	49.2 Å²	49.2	7%	0.066	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	166.1	171.5	77.5	-73.8	0	0	0	111.2	Q277 L278 R288 Y290 Y303 N312	Q277-F301 HydrophobicContact CG-CD1 4.33Å; Q277-F301 HydrophobicContact CG-CD2 4.33Å; Q277-F301 HydrophobicContact CG-CG 4.22Å; L278-F301 VanDerWaalsContact O-CE2 3.28Å; L278-F301 WeakPolarHBondContact O-CE2 3.3Å; R288-F301 HydrophobicContact CB-CD1 4.07Å; R288-F301 HydrophobicContact CB-CE1 3.62Å; R288-F301 HydrophobicContact CB-CZ 4.01Å; R288-F301 PolarHBondContact N-O 2.8Å; R288-F301 PolarHBondContact O-N 3.18Å; R288-F301 VanDerWaalsContact O-O 3.14Å; Y290-F301 HydrophobicContact CD1-CB 4.33Å; Y290-F301 AromaticContact CD1-CD1 3.77Å; Y290-F301 HydrophobicContact CD1-CD1 3.77Å; Y290-F301 HydrophobicContact CD1-CE1 4.47Å; Y290-F301 HydrophobicContact CD1-CG 4.34Å; Y290-F301 HydrophobicContact CG-CD1 4.35Å; F301-Y303 HydrophobicContact CE2-CD2 4.06Å; F301-Y303 HydrophobicContact CE2-CG 4.3Å; F301-Y303 HydrophobicContact CZ-CD2 4.45Å; F301-N312 HydrophobicContact CZ-CB 4.27Å
302	F	83.1	Confident	81.7	Confident	110 Å²	110	49.5 Å²	49.5	48%	0.482	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.4	171.4	-66.9	-76.2	0	0	0	110.1	T279 L285 L286 L287 F300	T279-F302 WeakPolarHBondContact CG2-O 3.02Å; L285-F302 HydrophobicContact CD2-CB 4.19Å; L286-F302 WeakPolarHBondContact O-CA 3.41Å; L287-F302 HydrophobicContact CD1-CE1 4.26Å; F300-F302 HydrophobicContact CE2-CE2 4.44Å
303	Y	84.6	Confident	81.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.9	178.8	177.6	-118.9	0	0	0	110.9	H253 I254 T279 L286 F301 G305 L306 K307 G308 N312	H253-Y303 PolarHBondContact CE1-OH 3.33Å; H253-Y303 AromaticContact NE2-CZ 3.85Å; H253-Y303 PolarHBondContact NE2-OH 3.06Å; I254-Y303 VanDerWaalsContact O-CE1 3.26Å; I254-Y303 WeakPolarHBondContact O-CE1 3.49Å; T279-Y303 VanDerWaalsContact O-CD2 3.32Å; T279-Y303 WeakPolarHBondContact O-CD2 3.24Å; L286-Y303 HydrophobicContact CD1-CD1 4.16Å; L286-Y303 PolarHBondContact N-O 2.04Å; L286-Y303 PolarHBondContact O-N 3.27Å; F301-Y303 HydrophobicContact CE2-CD2 4.06Å; F301-Y303 HydrophobicContact CE2-CG 4.3Å; F301-Y303 HydrophobicContact CZ-CD2 4.45Å; Y303-G305 VanDerWaalsContact C-N 3.28Å; Y303-G305 VanDerWaalsContact CE1-CA 3.44Å; Y303-G305 PolarHBondContact O-N 2.89Å; Y303-L306 VanDerWaalsContact OH-CA 3.26Å; Y303-L306 WeakPolarHBondContact OH-CA 3.44Å; Y303-L306 PolarHBondContact OH-N 3.05Å; Y303-L306 PolarHBondContact OH-O 3.06Å; Y303-K307 PolarHBondContact OH-N 2.87Å; Y303-G308 VanDerWaalsContact CE2-CA 3.5Å; Y303-G308 VanDerWaalsContact OH-CA 3.27Å; Y303-G308 WeakPolarHBondContact OH-CA 3.3Å; Y303-G308 PolarHBondContact OH-N 2.96Å; Y303-N312 WeakPolarHBondContact CD1-ND2 3.39Å; Y303-N312 WeakPolarHBondContact CD2-ND2 3.43Å; Y303-N312 VanDerWaalsContact CG-ND2 3.31Å
304	R	83.7	Confident	82	Confident	104 Å²	104	48.1 Å²	48.1	39%	0.392	22%	0.222	S	C	.	.			trans	-81.3	0.6	-171.4	-68.1	-172.7	69.2	168.5	1.3	116.1	T279 I281 G282 E284	T279-R304 HydrophobicContact CG2-CG 4.34Å; T279-R304 PolarHBondContact O-N 3.31Å; I281-R304 VanDerWaalsContact C-CB 3.43Å; I281-R304 CarbonylContact O-C 3.6Å; I281-R304 WeakPolarHBondContact O-CB 3.48Å; G282-R304 CarbonylContact C-O 3.55Å; G282-R304 WeakPolarHBondContact CA-O 3.35Å; G282-R304 PolarHBondContact O-NE 3.37Å; G282-R304 PolarHBondContact O-NH2 3.4Å; E284-R304 PolarHBondContact N-O 2.86Å; E284-R304 VanDerWaalsContact O-CA 3.26Å; E284-R304 WeakPolarHBondContact O-CA 3.44Å
305	G	82.3	Confident	82.6	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	94.9	-14.8	174.6	0	0	0	0	0	115.3	H253 G255 Y303	H253-G305 PolarHBondContact CE1-O 2.96Å; G255-G305 WeakPolarHBondContact CA-O 3.22Å; Y303-G305 VanDerWaalsContact C-N 3.28Å; Y303-G305 VanDerWaalsContact CE1-CA 3.44Å; Y303-G305 PolarHBondContact O-N 2.89Å
306	L	86	Confident	82.9	Confident	9 Å²	9	42.9 Å²	42.9	5%	0.047	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-137.8	157.7	178.5	-52.7	165.3	0	0	0	111.5	L187 P217 P219 T260 G280 I281 Y303 G308	L187-L306 HydrophobicContact CD1-CD1 3.77Å; L187-L306 HydrophobicContact CD2-CD1 4.3Å; P217-L306 HydrophobicContact CB-CD1 3.49Å; P217-L306 VanDerWaalsContact CB-CD1 3.49Å; P217-L306 HydrophobicContact CB-CD2 3.91Å; P217-L306 HydrophobicContact CB-CG 4.35Å; P217-L306 HydrophobicContact CG-CD1 3.84Å; P217-L306 HydrophobicContact CG-CD2 3.77Å; P217-L306 HydrophobicContact CG-CG 4.46Å; P219-L306 HydrophobicContact CB-CD2 3.95Å; T260-L306 HydrophobicContact CG2-CD2 3.65Å; G280-L306 CarbonylContact C-O 3.56Å; G280-L306 WeakPolarHBondContact CA-O 3.4Å; I281-L306 HydrophobicContact CG1-CB 3.85Å; I281-L306 HydrophobicContact CG1-CD1 4.36Å; I281-L306 PolarHBondContact N-O 3.04Å; I281-L306 WeakPolarHBondContact O-CB 3.06Å; I281-L306 PolarHBondContact O-N 2.92Å; Y303-L306 VanDerWaalsContact OH-CA 3.26Å; Y303-L306 WeakPolarHBondContact OH-CA 3.44Å; Y303-L306 PolarHBondContact OH-N 3.05Å; Y303-L306 PolarHBondContact OH-O 3.06Å; L306-G308 VanDerWaalsContact C-N 3.35Å; L306-G308 PolarHBondContact O-N 2.98Å
307	K	87.1	Confident	83	Confident	42 Å²	42	45.3 Å²	45.3	18%	0.183	21%	0.207	C	C	.	.	S	Bend	trans	59.7	39.1	177.3	-55.9	-64	-176	177.7	0	113.6	N218 P219 C220 L278 I281 Y303	N218-K307 PolarHBondContact ND2-NZ 3.14Å; N218-K307 WeakPolarHBondContact O-CE 3.41Å; N218-K307 PolarHBondContact O-NZ 3.38Å; P219-K307 WeakPolarHBondContact O-CA 3.41Å; P219-K307 PolarHBondContact O-N 3.13Å; C220-K307 WeakPolarHBondContact O-CD 3.26Å; C220-K307 WeakPolarHBondContact O-CE 3.48Å; C220-K307 PolarHBondContact O-NZ 2.86Å; L278-K307 WeakPolarHBondContact CD2-O 3.29Å; I281-K307 HydrophobicContact CD1-CG 3.55Å; I281-K307 HydrophobicContact CG1-CB 4.14Å; I281-K307 HydrophobicContact CG1-CG 3.57Å; Y303-K307 PolarHBondContact OH-N 2.87Å
308	G	84.9	Confident	83.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.01	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-89.2	164.4	172.6	0	0	0	0	0	112.6	F251 Y303 L306	F251-G308 WeakPolarHBondContact CZ-O 3.44Å; Y303-G308 VanDerWaalsContact CE2-CA 3.5Å; Y303-G308 VanDerWaalsContact OH-CA 3.27Å; Y303-G308 WeakPolarHBondContact OH-CA 3.3Å; Y303-G308 PolarHBondContact OH-N 2.96Å; L306-G308 VanDerWaalsContact C-N 3.35Å; L306-G308 PolarHBondContact O-N 2.98Å
309	N	87.9	Confident	83.2	Confident	13 Å²	13	44.3 Å²	44.3	7%	0.07	20%	0.198	C	C	.	.			trans	-118.9	-169.5	171.7	66.2	4.1	0	0	0	110.5	A276 N311 N312	A276-N309 PolarHBondContact O-ND2 3.06Å; N309-N311 VanDerWaalsContact C-N 3.34Å; N309-N311 PolarHBondContact O-N 2.94Å; N309-N311 PolarHBondContact OD1-N 2.92Å; N309-N312 WeakPolarHBondContact O-CB 3.41Å
310	E	87.1	Confident	82.9	Confident	21 Å²	21	41.7 Å²	41.7	10%	0.098	19%	0.19	C	C	.	.	S	Bend	trans	-79.2	-11.8	-172.9	-60.1	-174.7	80.6	0	0	114.3	F251 K266 R272 Q275 N312	F251-E310 HydrophobicContact CB-CG 3.52Å; F251-E310 WeakPolarHBondContact CB-OE1 3.44Å; F251-E310 HydrophobicContact CD1-CG 3.92Å; F251-E310 HydrophobicContact CD2-CG 3.51Å; F251-E310 HydrophobicContact CE2-CG 4.14Å; F251-E310 HydrophobicContact CG-CG 3.38Å; K266-E310 IonicContact NZ-OE1 3.83Å; K266-E310 PolarHBondContact NZ-OE1 3.03Å; K266-E310 IonicContact NZ-OE2 3.69Å; K266-E310 PolarHBondContact NZ-OE2 3.1Å; R272-E310 HydrophobicContact CB-CB 3.3Å; R272-E310 HydrophobicContact CB-CG 4.37Å; R272-E310 HydrophobicContact CG-CB 4.46Å; R272-E310 PolarHBondContact NE-O 3.49Å; R272-E310 PolarHBondContact NH2-O 3.19Å; Q275-E310 PolarHBondContact NE2-OE2 3.39Å; E310-N312 PolarHBondContact O-N 3.39Å
311	N	89.8	Confident	81.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.198	C	C	.	.	S	Bend	trans	-80.3	50.8	173.7	-157.9	-1.1	0	0	0	111.2	R272 Q275 Y290 F291 N309 F313	R272-N311 VanDerWaalsContact O-CB 3.26Å; R272-N311 WeakPolarHBondContact O-CB 3.27Å; Q275-N311 HydrophobicContact CB-CB 4.26Å; Q275-N311 PolarHBondContact O-ND2 3.19Å; Y290-N311 WeakPolarHBondContact CA-OD1 3.41Å; Y290-N311 VanDerWaalsContact CB-O 3.24Å; Y290-N311 WeakPolarHBondContact CB-O 3.43Å; F291-N311 PolarHBondContact N-OD1 3.38Å; F291-N311 PolarHBondContact O-ND2 2.85Å; N309-N311 VanDerWaalsContact C-N 3.34Å; N309-N311 PolarHBondContact O-N 2.94Å; N309-N311 PolarHBondContact OD1-N 2.92Å; N311-F313 WeakPolarHBondContact OD1-CE2 3.27Å
312	N	89	Confident	81.2	Confident	14 Å²	14	47.3 Å²	47.3	8%	0.075	22%	0.218	C	C	.	.			trans	-146.8	100.4	-171.9	-175.3	-24.1	0	0	0	107	R272 R288 W289 F301 Y303 N309 E310	R272-N312 PolarHBondContact NH2-O 3.45Å; R288-N312 WeakPolarHBondContact CB-OD1 3.03Å; R288-N312 VanDerWaalsContact CD-OD1 3.26Å; R288-N312 WeakPolarHBondContact CD-OD1 3.37Å; R288-N312 WeakPolarHBondContact CG-OD1 3.49Å; R288-N312 PolarHBondContact NH1-OD1 2.86Å; W289-N312 WeakPolarHBondContact O-CA 3.39Å; F301-N312 HydrophobicContact CZ-CB 4.27Å; Y303-N312 WeakPolarHBondContact CD1-ND2 3.39Å; Y303-N312 WeakPolarHBondContact CD2-ND2 3.43Å; Y303-N312 VanDerWaalsContact CG-ND2 3.31Å; N309-N312 WeakPolarHBondContact O-CB 3.41Å; E310-N312 PolarHBondContact O-N 3.39Å
313	F	86.4	Confident	80.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-112.2	152.5	-176.2	-55.2	-91.2	0	0	0	109.4	R272 R288 W289 N311 E318 C319 H322 C323	R272-F313 HydrophobicContact CG-CZ 4.31Å; R272-F313 VanDerWaalsContact NH2-CD1 3.34Å; R272-F313 VanDerWaalsContact NH2-CE1 3.31Å; R288-F313 CarbonylContact C-O 3.6Å; R288-F313 WeakPolarHBondContact CA-O 3.43Å; R288-F313 WeakPolarHBondContact CB-O 3.36Å; R288-F313 WeakPolarHBondContact CD-O 3.27Å; W289-F313 HydrophobicContact CB-CB 4.25Å; W289-F313 PolarHBondContact N-O 3.02Å; W289-F313 WeakPolarHBondContact O-CD2 3.47Å; W289-F313 PolarHBondContact O-N 2.04Å; N311-F313 WeakPolarHBondContact OD1-CE2 3.27Å; F313-E318 HydrophobicContact CB-CB 4.33Å; F313-E318 HydrophobicContact CB-CG 4.36Å; F313-E318 HydrophobicContact CD1-CG 3.94Å; F313-E318 WeakPolarHBondContact CD1-OE1 3.34Å; F313-C319 HydrophobicContact CB-CB 3.93Å; F313-C319 HydrophobicContact CD1-CB 4.27Å; F313-C319 HydrophobicContact CD2-CB 3.56Å; F313-C319 HydrophobicContact CE2-CB 4.09Å; F313-C319 HydrophobicContact CG-CB 3.68Å; F313-H322 HydrophobicContact CE1-CB 3.83Å; F313-H322 HydrophobicContact CZ-CB 4.43Å; F313-C323 VanDerWaalsContact CZ-SG 3.51Å
314	F	78	Confident	80	Confident	87 Å²	87	44.2 Å²	44.2	38%	0.382	21%	0.206	S	C	.	.	S	Bend	trans	-74.4	-38.5	177.6	-71.3	-95.2	0	0	0	112.5	F238 I254 E318	F238-F314 HydrophobicContact CD2-CE2 4.25Å; F238-F314 HydrophobicContact CD2-CZ 4.27Å; F238-F314 AromaticContact CE2-CD2 3.92Å; F238-F314 HydrophobicContact CE2-CD2 3.92Å; F238-F314 AromaticContact CE2-CE2 3.55Å; F238-F314 HydrophobicContact CE2-CE2 3.55Å; F238-F314 AromaticContact CE2-CZ 4Å; F238-F314 HydrophobicContact CE2-CZ 4Å; I254-F314 HydrophobicContact CB-CE2 4.32Å; I254-F314 HydrophobicContact CB-CZ 4.01Å; I254-F314 HydrophobicContact CD1-CE2 3.91Å; I254-F314 HydrophobicContact CD1-CZ 3.87Å; I254-F314 HydrophobicContact CG1-CE2 3.6Å; I254-F314 HydrophobicContact CG1-CZ 3.69Å; I254-F314 HydrophobicContact CG2-CE1 3.65Å; I254-F314 HydrophobicContact CG2-CE2 4.01Å; I254-F314 HydrophobicContact CG2-CZ 3.23Å; F314-E318 WeakPolarHBondContact CB-OE2 2.97Å; F314-E318 PolarHBondContact N-OE2 3.17Å
315	S	79.7	Confident	78.6	Confident	39 Å²	39	40.5 Å²	40.5	27%	0.273	20%	0.2	S	C	.	.	S	Bend	trans	-129.9	164.7	-177.5	97.6	0	0	0	0	112.9	W289 E317 E318 C319	W289-S315 VanDerWaalsContact CD1-CA 3.5Å; S315-E317 VanDerWaalsContact C-N 3.29Å; S315-E317 WeakPolarHBondContact CB-OE2 3.48Å; S315-E317 PolarHBondContact OG-N 3.12Å; S315-E317 PolarHBondContact OG-OE2 3.03Å; S315-E318 PolarHBondContact O-N 3.24Å; S315-E318 PolarHBondContact OG-N 3.28Å; S315-E318 VanDerWaalsContact OG-N 3.11Å; S315-C319 PolarHBondContact O-N 2.97Å
316	K	77.8	Confident	77.7	Confident	73 Å²	73	41.3 Å²	41.3	32%	0.317	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-42.6	174.5	-177.6	178.9	168.3	-74.8	0	110.2	W289 C319 E320	W289-K316 HydrophobicContact CD2-CB 3.72Å; W289-K316 HydrophobicContact CD2-CG 4.41Å; W289-K316 HydrophobicContact CE3-CB 3.72Å; W289-K316 HydrophobicContact CE3-CD 4.49Å; W289-K316 HydrophobicContact CE3-CG 3.89Å; W289-K316 HydrophobicContact CG-CB 4.43Å; W289-K316 HydrophobicContact CH2-CB 3.88Å; W289-K316 HydrophobicContact CH2-CD 3.87Å; W289-K316 HydrophobicContact CH2-CG 4.1Å; W289-K316 HydrophobicContact CZ2-CB 3.86Å; W289-K316 HydrophobicContact CZ3-CB 3.81Å; W289-K316 HydrophobicContact CZ3-CD 3.81Å; W289-K316 HydrophobicContact CZ3-CG 3.73Å; K316-C319 WeakPolarHBondContact O-CB 3.47Å; K316-C319 PolarHBondContact O-N 3.4Å; K316-E320 WeakPolarHBondContact CE-OE1 3.24Å; K316-E320 HydrophobicContact CG-CG 4.38Å; K316-E320 IonicContact NZ-OE1 3.52Å; K316-E320 PolarHBondContact NZ-OE1 3.14Å; K316-E320 IonicContact NZ-OE2 2.61Å; K316-E320 PolarHBondContact NZ-OE2 3.21Å; K316-E320 WeakPolarHBondContact O-CB 3.39Å; K316-E320 VanDerWaalsContact O-CG 3.29Å; K316-E320 WeakPolarHBondContact O-CG 3.39Å; K316-E320 PolarHBondContact O-N 3.45Å
317	E	68.9	Low	76.8	Confident	120 Å²	120	40.9 Å²	40.9	56%	0.561	20%	0.202	S	C	*	.	H	α-helix	trans	-65.7	-39.1	-178.7	-54.7	68.9	-147.9	0	0	111.4	S315 E320 H321	S315-E317 VanDerWaalsContact C-N 3.29Å; S315-E317 WeakPolarHBondContact CB-OE2 3.48Å; S315-E317 PolarHBondContact OG-N 3.12Å; S315-E317 PolarHBondContact OG-OE2 3.03Å; E317-E320 PolarHBondContact O-N 3.49Å; E317-H321 WeakPolarHBondContact O-CB 2.99Å; E317-H321 PolarHBondContact O-N 2.78Å
318	E	77.1	Confident	76.3	Confident	41 Å²	41	38.9 Å²	38.9	19%	0.192	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-49.9	173.5	-171.6	-158	154.5	0	0	111	R272 F313 F314 S315 E320 H321 H322	R272-E318 IonicContact NH1-OE1 3.31Å; R272-E318 IonicContact NH2-OE1 2.87Å; F313-E318 HydrophobicContact CB-CB 4.33Å; F313-E318 HydrophobicContact CB-CG 4.36Å; F313-E318 HydrophobicContact CD1-CG 3.94Å; F313-E318 WeakPolarHBondContact CD1-OE1 3.34Å; F314-E318 WeakPolarHBondContact CB-OE2 2.97Å; F314-E318 PolarHBondContact N-OE2 3.17Å; S315-E318 PolarHBondContact O-N 3.24Å; S315-E318 PolarHBondContact OG-N 3.28Å; S315-E318 VanDerWaalsContact OG-N 3.11Å; E318-E320 VanDerWaalsContact C-N 3.31Å; E318-E320 PolarHBondContact O-N 2.83Å; E318-H321 PolarHBondContact O-N 3.09Å; E318-H322 PolarHBondContact O-CD2 2.83Å; E318-H322 VanDerWaalsContact O-CD2 3.29Å; E318-H322 PolarHBondContact O-N 2.03Å; E318-H322 VanDerWaalsContact O-N 3.09Å
319	C	81.6	Confident	75.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.1	-45.9	175.3	177.8	0	0	0	0	111.3	W289 Y290 C298 F313 S315 K316 H322 C323	W289-C319 HydrophobicContact CB-CB 4.17Å; Y290-C319 VanDerWaalsContact C-SG 3.54Å; C298-C319 HydrophobicContact CB-CB 3.83Å; C298-C319 WeakPolarHBondContact CB-SG 3.28Å; C298-C319 WeakPolarHBondContact SG-CB 3.14Å; C298-C319 CovalentContact SG-SG 2.04Å; C298-C319 PolarHBondContact SG-SG 2.77Å; F313-C319 HydrophobicContact CB-CB 3.93Å; F313-C319 HydrophobicContact CD1-CB 4.27Å; F313-C319 HydrophobicContact CD2-CB 3.56Å; F313-C319 HydrophobicContact CE2-CB 4.09Å; F313-C319 HydrophobicContact CG-CB 3.68Å; S315-C319 PolarHBondContact O-N 2.97Å; K316-C319 WeakPolarHBondContact O-CB 3.47Å; K316-C319 PolarHBondContact O-N 3.4Å; C319-H322 PolarHBondContact O-N 3.31Å; C319-C323 VanDerWaalsContact O-CB 3.31Å; C319-C323 WeakPolarHBondContact O-CB 3.31Å; C319-C323 PolarHBondContact O-N 2.86Å; C319-C323 PolarHBondContact O-SG 2.81Å
320	E	71.3	Confident	74.1	Confident	63 Å²	63	44.9 Å²	44.9	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-67.9	-42.3	-176.9	-76.3	177	151.2	0	0	112	C298 K316 E317 E318 H322 F324	C298-E320 HydrophobicContact CB-CG 3.9Å; C298-E320 PolarHBondContact SG-N 2.84Å; K316-E320 WeakPolarHBondContact CE-OE1 3.24Å; K316-E320 HydrophobicContact CG-CG 4.38Å; K316-E320 IonicContact NZ-OE1 3.52Å; K316-E320 PolarHBondContact NZ-OE1 3.14Å; K316-E320 IonicContact NZ-OE2 2.61Å; K316-E320 PolarHBondContact NZ-OE2 3.21Å; K316-E320 WeakPolarHBondContact O-CB 3.39Å; K316-E320 VanDerWaalsContact O-CG 3.29Å; K316-E320 WeakPolarHBondContact O-CG 3.39Å; K316-E320 PolarHBondContact O-N 3.45Å; E317-E320 PolarHBondContact O-N 3.49Å; E318-E320 VanDerWaalsContact C-N 3.31Å; E318-E320 PolarHBondContact O-N 2.83Å; E320-H322 PolarHBondContact O-N 3.41Å; E320-F324 HydrophobicContact CB-CD2 3.98Å; E320-F324 HydrophobicContact CB-CE2 4.39Å; E320-F324 HydrophobicContact CG-CD2 3.89Å; E320-F324 HydrophobicContact CG-CE2 3.81Å; E320-F324 WeakPolarHBondContact O-CB 3.31Å; E320-F324 PolarHBondContact O-N 3.22Å
321	H	67.9	Low	72.6	Confident	151 Å²	151	48.3 Å²	48.3	70%	0.699	25%	0.246	S	C	*	.	H	α-helix	trans	-62.1	-43.1	177.8	-171.2	84	0	0	0	112.3	E317 E318	E317-H321 WeakPolarHBondContact O-CB 2.99Å; E317-H321 PolarHBondContact O-N 2.78Å; E318-H321 PolarHBondContact O-N 3.09Å
322	H	70.1	Confident	71.1	Confident	103 Å²	103	50.3 Å²	50.3	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-77.2	-33.5	-179.8	-77.8	-65.1	0	0	0	113.8	F313 E318 C319 E320	F313-H322 HydrophobicContact CE1-CB 3.83Å; F313-H322 HydrophobicContact CZ-CB 4.43Å; E318-H322 PolarHBondContact O-CD2 2.83Å; E318-H322 VanDerWaalsContact O-CD2 3.29Å; E318-H322 PolarHBondContact O-N 2.03Å; E318-H322 VanDerWaalsContact O-N 3.09Å; C319-H322 PolarHBondContact O-N 3.31Å; E320-H322 PolarHBondContact O-N 3.41Å
323	C	76.8	Confident	69.6	Low	15 Å²	15	51.6 Å²	51.6	10%	0.101	27%	0.265	C	S	.	.	H	α-helix	trans	-102	-23.9	-170.9	-59	0	0	0	0	115.6	C273 F291 F313 C319	C273-C323 HydrophobicContact CB-CB 3.76Å; C273-C323 WeakPolarHBondContact CB-SG 3.41Å; C273-C323 WeakPolarHBondContact SG-CA 3.18Å; C273-C323 WeakPolarHBondContact SG-CB 3.17Å; C273-C323 CovalentContact SG-SG 2.03Å; C273-C323 PolarHBondContact SG-SG 2.81Å; F291-C323 HydrophobicContact CB-CB 4.12Å; F291-C323 HydrophobicContact CD2-CB 3.22Å; F291-C323 HydrophobicContact CE2-CB 3.63Å; F291-C323 HydrophobicContact CG-CB 3.73Å; F291-C323 HydrophobicContact CZ-CB 4.45Å; F313-C323 VanDerWaalsContact CZ-SG 3.51Å; C319-C323 VanDerWaalsContact O-CB 3.31Å; C319-C323 WeakPolarHBondContact O-CB 3.31Å; C319-C323 PolarHBondContact O-N 2.86Å; C319-C323 PolarHBondContact O-SG 2.81Å
324	F	66.4	Low	67.8	Low	29 Å²	29	53.1 Å²	53.1	13%	0.127	27%	0.273	C	S	.	.	S	Bend	trans	-98.2	23.6	174.7	-61.6	-76.5	0	0	0	113.4	F291 Q296 E320 D326	F291-F324 HydrophobicContact CD2-CE2 4.22Å; F291-F324 HydrophobicContact CD2-CZ 4.13Å; F291-F324 HydrophobicContact CE2-CD1 4.19Å; F291-F324 HydrophobicContact CE2-CD2 4.44Å; F291-F324 AromaticContact CE2-CE1 3.65Å; F291-F324 HydrophobicContact CE2-CE1 3.65Å; F291-F324 AromaticContact CE2-CE2 3.88Å; F291-F324 HydrophobicContact CE2-CE2 3.88Å; F291-F324 AromaticContact CE2-CZ 3.46Å; F291-F324 HydrophobicContact CE2-CZ 3.46Å; F291-F324 VanDerWaalsContact CE2-CZ 3.46Å; F291-F324 HydrophobicContact CZ-CE1 4.27Å; F291-F324 HydrophobicContact CZ-CZ 4.42Å; Q296-F324 WeakPolarHBondContact O-CE1 3.03Å; Q296-F324 WeakPolarHBondContact O-CZ 3.02Å; E320-F324 HydrophobicContact CB-CD2 3.98Å; E320-F324 HydrophobicContact CB-CE2 4.39Å; E320-F324 HydrophobicContact CG-CD2 3.89Å; E320-F324 HydrophobicContact CG-CE2 3.81Å; E320-F324 WeakPolarHBondContact O-CB 3.31Å; E320-F324 PolarHBondContact O-N 3.22Å; F324-D326 PolarHBondContact O-N 3.49Å; F324-D326 VanDerWaalsContact O-N 3.13Å
325	G	55	Low	66.3	Low	26 Å²	26	55 Å²	55	27%	0.268	29%	0.292	S	S	.	.			trans	-66	-13.7	-170.7	0	0	0	0	0	116.5	R340	G325-R340 PolarHBondContact O-NH1 2.96Å; G325-R340 PolarHBondContact O-NH2 2.87Å
326	D	62.2	Low	64.8	Low	19 Å²	19	59.7 Å²	59.7	10%	0.102	31%	0.313	C	S	.	.			trans	-102.4	123.1	-176.1	-160.5	-31.4	0	0	0	112.9	F324 C328 N331 H333	F324-D326 PolarHBondContact O-N 3.49Å; F324-D326 VanDerWaalsContact O-N 3.13Å; D326-C328 VanDerWaalsContact C-N 3.34Å; D326-C328 WeakPolarHBondContact OD1-CB 3.26Å; D326-C328 PolarHBondContact OD1-N 3.27Å; D326-N331 WeakPolarHBondContact OD2-CA 3.35Å; D326-H333 IonicContact OD1-CE1 3.76Å; D326-H333 IonicContact OD1-NE2 2.75Å; D326-H333 PolarHBondContact OD1-NE2 3.03Å; D326-H333 IonicContact OD2-CD2 3.12Å; D326-H333 IonicContact OD2-NE2 3.53Å
327	P	68.1	Low	63	Low	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.334	C	S	.	.			trans	-69.3	-21.5	172.1	-17.3	32	0	0	0	115	H356 S363 V365 R409	P327-H356 PolarHBondContact O-CE1 2.03Å; P327-H356 PolarHBondContact O-NE2 3.46Å; P327-H356 VanDerWaalsContact O-NE2 3.14Å; P327-S363 WeakPolarHBondContact CB-O 3.22Å; P327-V365 HydrophobicContact CB-CG2 4.06Å; P327-V365 HydrophobicContact CG-CG2 3.92Å; P327-R409 VanDerWaalsContact O-CA 3.25Å; P327-R409 WeakPolarHBondContact O-CA 2.98Å; P327-R409 PolarHBondContact O-N 2.99Å
328	C	75.6	Confident	61.8	Low	1 Å²	1	69 Å²	69	1%	0.007	35%	0.354	C	S	.	.	S	Bend	trans	-82.1	148.8	-175.5	-57.3	0	0	0	0	112.7	D326 H333 C367 R409	D326-C328 VanDerWaalsContact C-N 3.34Å; D326-C328 WeakPolarHBondContact OD1-CB 3.26Å; D326-C328 PolarHBondContact OD1-N 3.27Å; C328-H333 PolarHBondContact SG-CE1 3.04Å; C328-H333 PolarHBondContact SG-ND1 2.94Å; C328-H333 VanDerWaalsContact SG-ND1 3.4Å; C328-C367 VanDerWaalsContact CA-SG 3.51Å; C328-C367 HydrophobicContact CB-CB 3.9Å; C328-C367 WeakPolarHBondContact CB-SG 3.23Å; C328-C367 VanDerWaalsContact SG-CA 3.56Å; C328-C367 WeakPolarHBondContact SG-CB 3.45Å; C328-C367 CovalentContact SG-SG 2.03Å; C328-C367 PolarHBondContact SG-SG 2.86Å; C328-R409 PolarHBondContact O-NE 3.39Å
329	T	66.4	Low	60.6	Low	39 Å²	39	71.1 Å²	71.1	24%	0.239	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-46.1	177.5	43.3	0	0	0	0	113.4	D370 R409 G410 N411	T329-D370 PolarHBondContact OG1-OD1 2.91Å; T329-R409 HydrophobicContact CG2-CB 4.5Å; T329-R409 WeakPolarHBondContact CG2-O 3.03Å; T329-G410 WeakPolarHBondContact CG2-O 3.01Å; T329-N411 HydrophobicContact CG2-CB 4.15Å
330	N	60.7	Low	59.7	Low	100 Å²	100	76.5 Å²	76.5	54%	0.535	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	13.1	-171.4	-63.5	-33.9	0	0	0	114.2	S332	N330-S332 WeakPolarHBondContact CB-OG 3.29Å; N330-S332 PolarHBondContact O-N 3.5Å; N330-S332 VanDerWaalsContact O-N 3.11Å; N330-S332 PolarHBondContact O-OG 3.05Å
331	N	56.6	Low	59.9	Low	94 Å²	94	77 Å²	77	50%	0.503	40%	0.398	S	S	.	.	S	Bend	trans	53.2	21.9	-174.2	-60.7	-28	0	0	0	115.2	D326 R409	D326-N331 WeakPolarHBondContact OD2-CA 3.35Å; N331-R409 PolarHBondContact OD1-NH2 2.76Å
332	S	57.9	Low	60.4	Low	42 Å²	42	76.7 Å²	76.7	29%	0.294	40%	0.395	S	S	.	.			trans	-111.5	88.8	-171.5	38.5	0	0	0	0	112.5	N330 T368	N330-S332 WeakPolarHBondContact CB-OG 3.29Å; N330-S332 PolarHBondContact O-N 3.5Å; N330-S332 VanDerWaalsContact O-N 3.11Å; N330-S332 PolarHBondContact O-OG 3.05Å; S332-T368 VanDerWaalsContact CB-OG1 3.24Å; S332-T368 WeakPolarHBondContact CB-OG1 3.38Å; S332-T368 WeakPolarHBondContact O-CG2 3.27Å; S332-T368 PolarHBondContact O-N 3.08Å; S332-T368 PolarHBondContact O-OG1 3.35Å; S332-T368 PolarHBondContact OG-OG1 2.82Å
333	H	57.9	Low	61.1	Low	42 Å²	42	72.2 Å²	72.2	19%	0.194	38%	0.375	C	S	.	.			trans	-84	166.8	169.7	-70.8	-55.3	0	0	0	112.8	D326 C328 T335 R340 C366	D326-H333 IonicContact OD1-CE1 3.76Å; D326-H333 IonicContact OD1-NE2 2.75Å; D326-H333 PolarHBondContact OD1-NE2 3.03Å; D326-H333 IonicContact OD2-CD2 3.12Å; D326-H333 IonicContact OD2-NE2 3.53Å; C328-H333 PolarHBondContact SG-CE1 3.04Å; C328-H333 PolarHBondContact SG-ND1 2.94Å; C328-H333 VanDerWaalsContact SG-ND1 3.4Å; H333-T335 PolarHBondContact O-N 3.39Å; H333-R340 PolarHBondContact NE2-NE 3.19Å; H333-C366 PolarHBondContact ND1-O 3.24Å
334	N	47.5	Very low	61.3	Low	31 Å²	31	77 Å²	77	17%	0.166	40%	0.404	C	S	.	.			trans	-76.1	102.3	169.2	-162.5	-31.7	0	0	0	109.9	I336 F353	N334-I336 PolarHBondContact O-N 3.43Å; N334-I336 VanDerWaalsContact O-N 3.1Å; N334-I336 VanDerWaalsContact OD1-CD1 3.25Å; N334-I336 WeakPolarHBondContact OD1-CD1 3.17Å; N334-I336 VanDerWaalsContact OD1-CG1 3.23Å; N334-I336 WeakPolarHBondContact OD1-CG1 3.33Å; N334-F353 HydrophobicContact CB-CD1 4.03Å; N334-F353 HydrophobicContact CB-CD2 4.34Å; N334-F353 HydrophobicContact CB-CE1 3.53Å; N334-F353 HydrophobicContact CB-CE2 3.88Å; N334-F353 HydrophobicContact CB-CG 4.44Å; N334-F353 HydrophobicContact CB-CZ 3.46Å; N334-F353 VanDerWaalsContact CB-CZ 3.46Å; N334-F353 VanDerWaalsContact ND2-CE2 3.27Å; N334-F353 WeakPolarHBondContact ND2-CE2 3.42Å
335	T	47.3	Very low	62	Low	128 Å²	128	77.8 Å²	77.8	79%	0.785	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	17.5	-170.3	43.3	0	0	0	0	115.2	H333 K337	H333-T335 PolarHBondContact O-N 3.39Å; T335-K337 VanDerWaalsContact C-N 3.35Å; T335-K337 PolarHBondContact O-N 3.46Å
336	I	47.3	Very low	63	Low	137 Å²	137	80.7 Å²	80.7	70%	0.703	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-32.3	-172.4	-73.9	170.8	0	0	0	113.5	N334	N334-I336 PolarHBondContact O-N 3.43Å; N334-I336 VanDerWaalsContact O-N 3.1Å; N334-I336 VanDerWaalsContact OD1-CD1 3.25Å; N334-I336 WeakPolarHBondContact OD1-CD1 3.17Å; N334-I336 VanDerWaalsContact OD1-CG1 3.23Å; N334-I336 WeakPolarHBondContact OD1-CG1 3.33Å
337	K	40.6	Very low	63.9	Low	176 Å²	176	91 Å²	91	77%	0.765	46%	0.46	S	S	*	.	S	Bend	trans	-157.5	79.7	171.5	-67.9	-167.8	-179.1	179.1	0	114.1	T335 S339	T335-K337 VanDerWaalsContact C-N 3.35Å; T335-K337 PolarHBondContact O-N 3.46Å; K337-S339 WeakPolarHBondContact O-CB 3.35Å; K337-S339 PolarHBondContact O-N 3.43Å; K337-S339 PolarHBondContact O-OG 3.17Å
338	E	44.2	Very low	64.6	Low	211 Å²	211	94.5 Å²	94.5	99%	0.986	48%	0.479	S	S	*	.	S	Bend	trans	37.8	13.5	161.1	-67.5	-170	152.5	0	0	120.8
339	S	51.4	Low	64.8	Low	87 Å²	87	95.1 Å²	95.1	61%	0.608	48%	0.483	S	S	*	.	S	Bend	trans	-142.5	131.9	-170.7	57.1	0	0	0	0	109.5	K337 I341	K337-S339 WeakPolarHBondContact O-CB 3.35Å; K337-S339 PolarHBondContact O-N 3.43Å; K337-S339 PolarHBondContact O-OG 3.17Å; S339-I341 PolarHBondContact O-N 2.82Å
340	R	61.7	Low	65.4	Low	112 Å²	112	95.6 Å²	95.6	42%	0.423	49%	0.487	S	S	.	.			trans	-70.7	114.4	-177.4	-66.1	176.9	172.2	154	0.2	109.5	G325 H333 K342 V365	G325-R340 PolarHBondContact O-NH1 2.96Å; G325-R340 PolarHBondContact O-NH2 2.87Å; H333-R340 PolarHBondContact NE2-NE 3.19Å; R340-K342 PolarHBondContact O-N 3.38Å; R340-V365 HydrophobicContact CB-CB 4.37Å; R340-V365 HydrophobicContact CB-CG1 3.84Å
341	I	76.1	Confident	65.9	Low	74 Å²	74	96.1 Å²	96.1	38%	0.379	50%	0.498	S	S	.	.			trans	-63.7	109.9	174.4	-57.6	174.3	0	0	0	107.8	S339 P350 V365 C366	S339-I341 PolarHBondContact O-N 2.82Å; I341-P350 HydrophobicContact CD1-CG 4.4Å; I341-V365 CarbonylContact O-C 3.48Å; I341-V365 VanDerWaalsContact O-CA 3.28Å; I341-V365 WeakPolarHBondContact O-CA 3.01Å; I341-C366 HydrophobicContact CB-CB 4.4Å; I341-C366 PolarHBondContact O-N 3.23Å
342	K	79.1	Confident	66.6	Low	145 Å²	145	99.7 Å²	99.7	63%	0.63	51%	0.512	S	S	*	.	B	Isolated β-bridge	trans	-71	142.5	170.4	-66.7	-176.6	179.2	-179.3	0	109.3	R340	R340-K342 PolarHBondContact O-N 3.38Å
343	C	84.8	Confident	67.7	Low	9 Å²	9	99.3 Å²	99.3	6%	0.061	51%	0.505	C	S	.	.			trans	-137.3	170	-178.1	60.7	0	0	0	0	110.8	D348 C355 T364	C343-D348 HydrophobicContact CB-CB 3.82Å; C343-C355 VanDerWaalsContact C-SG 3.57Å; C343-C355 HydrophobicContact CB-CB 3.79Å; C343-C355 WeakPolarHBondContact CB-SG 3.42Å; C343-C355 WeakPolarHBondContact SG-CA 3.33Å; C343-C355 WeakPolarHBondContact SG-CB 3.41Å; C343-C355 CovalentContact SG-SG 2.03Å; C343-C355 PolarHBondContact SG-SG 2.76Å; C343-T364 WeakPolarHBondContact O-CG2 3.22Å
344	T	80.4	Confident	69	Low	115 Å²	115	98.1 Å²	98.1	71%	0.706	50%	0.499	S	S	*	.	S	Bend	trans	-128.4	-24.5	170.9	62.3	0	0	0	0	111.8	D348	T344-D348 WeakPolarHBondContact CA-OD2 3.43Å; T344-D348 PolarHBondContact N-OD2 3.33Å; T344-D348 PolarHBondContact OG1-OD2 3.44Å
345	S	80.5	Confident	70.8	Confident	46 Å²	46	97 Å²	97	32%	0.322	49%	0.494	S	S	.	.	S	Bend	trans	-147.2	165.8	173.3	73.4	0	0	0	0	111	R347 D348 C355	S345-R347 PolarHBondContact O-N 3.26Å; S345-R347 PolarHBondContact OG-N 3.41Å; S345-D348 PolarHBondContact N-OD2 3.38Å; S345-D348 WeakPolarHBondContact O-CB 3.23Å; S345-D348 PolarHBondContact O-N 2.74Å; S345-C355 WeakPolarHBondContact O-CB 3.26Å
346	D	76.1	Confident	72.6	Confident	87 Å²	87	91.1 Å²	91.1	47%	0.465	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-55.1	-22.7	175.3	-68.9	-15.7	0	0	0	113.6	D348 C349 C355	D346-D348 VanDerWaalsContact C-N 3.25Å; D346-D348 PolarHBondContact O-N 3.32Å; D346-C349 PolarHBondContact O-N 2.92Å; D346-C355 PolarHBondContact OD1-N 3.08Å
347	R	81.7	Confident	74.4	Confident	234 Å²	234	87.7 Å²	87.7	88%	0.883	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.6	178.2	-60	-175.5	-179	-168.6	1	113.7	S345 C349	S345-R347 PolarHBondContact O-N 3.26Å; S345-R347 PolarHBondContact OG-N 3.41Å; R347-C349 VanDerWaalsContact C-N 3.25Å
348	D	82.1	Confident	76.3	Confident	74 Å²	74	79.6 Å²	79.6	40%	0.396	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-80.8	-12.4	176.8	-51	-41.4	0	0	0	111.5	C343 T344 S345 D346	C343-D348 HydrophobicContact CB-CB 3.82Å; T344-D348 WeakPolarHBondContact CA-OD2 3.43Å; T344-D348 PolarHBondContact N-OD2 3.33Å; T344-D348 PolarHBondContact OG1-OD2 3.44Å; S345-D348 PolarHBondContact N-OD2 3.38Å; S345-D348 WeakPolarHBondContact O-CB 3.23Å; S345-D348 PolarHBondContact O-N 2.74Å; D346-D348 VanDerWaalsContact C-N 3.25Å; D346-D348 PolarHBondContact O-N 3.32Å
349	C	80.5	Confident	77.8	Confident	15 Å²	15	71.2 Å²	71.2	10%	0.101	38%	0.376	C	S	.	.	S	Bend	trans	-98.5	144	-176.8	-63.2	0	0	0	0	112.1	D346 R347 F353 C366	D346-C349 PolarHBondContact O-N 2.92Å; R347-C349 VanDerWaalsContact C-N 3.25Å; C349-F353 HydrophobicContact CB-CB 3.98Å; C349-C366 WeakPolarHBondContact CA-SG 3.41Å; C349-C366 HydrophobicContact CB-CB 3.87Å; C349-C366 WeakPolarHBondContact CB-SG 3.45Å; C349-C366 VanDerWaalsContact SG-CA 3.56Å; C349-C366 WeakPolarHBondContact SG-CB 3.32Å; C349-C366 CovalentContact SG-SG 2.05Å; C349-C366 PolarHBondContact SG-SG 2.83Å
350	P	79.6	Confident	79	Confident	49 Å²	49	68.3 Å²	68.3	32%	0.318	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.5	157.9	172.8	-25.9	37	0	0	0	112.6	I341 Q352 F353	I341-P350 HydrophobicContact CD1-CG 4.4Å; P350-Q352 PolarHBondContact O-N 2.81Å; P350-F353 HydrophobicContact CB-CD2 4.32Å; P350-F353 WeakPolarHBondContact O-CB 3.24Å; P350-F353 PolarHBondContact O-N 3.14Å
351	S	70.8	Confident	79.8	Confident	111 Å²	111	68 Å²	68	78%	0.776	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	141.4	173.1	44.2	0	0	0	0	111.5	F353	S351-F353 VanDerWaalsContact C-N 3.3Å
352	Q	70.3	Confident	79.8	Confident	169 Å²	169	67.9 Å²	67.9	79%	0.79	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-4.5	-168.3	-48.4	178.8	-2.6	0	0	116.2	P350 A369	P350-Q352 PolarHBondContact O-N 2.81Å; Q352-A369 PolarHBondContact O-N 3.42Å
353	F	82.1	Confident	79.7	Confident	34 Å²	34	61 Å²	61	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.8	174.7	-65	-99.3	0	0	0	111.5	N334 C349 P350 S351 C366 C367 T368	N334-F353 HydrophobicContact CB-CD1 4.03Å; N334-F353 HydrophobicContact CB-CD2 4.34Å; N334-F353 HydrophobicContact CB-CE1 3.53Å; N334-F353 HydrophobicContact CB-CE2 3.88Å; N334-F353 HydrophobicContact CB-CG 4.44Å; N334-F353 HydrophobicContact CB-CZ 3.46Å; N334-F353 VanDerWaalsContact CB-CZ 3.46Å; N334-F353 VanDerWaalsContact ND2-CE2 3.27Å; N334-F353 WeakPolarHBondContact ND2-CE2 3.42Å; C349-F353 HydrophobicContact CB-CB 3.98Å; P350-F353 HydrophobicContact CB-CD2 4.32Å; P350-F353 WeakPolarHBondContact O-CB 3.24Å; P350-F353 PolarHBondContact O-N 3.14Å; S351-F353 VanDerWaalsContact C-N 3.3Å; F353-C366 HydrophobicContact CB-CB 4.4Å; F353-C367 CarbonylContact C-O 3.56Å; F353-C367 VanDerWaalsContact CA-O 3.23Å; F353-C367 WeakPolarHBondContact CA-O 3.31Å; F353-C367 WeakPolarHBondContact CB-O 3.46Å; F353-C367 VanDerWaalsContact CD1-C 3.45Å; F353-C367 WeakPolarHBondContact CD1-O 3.48Å; F353-T368 HydrophobicContact CD1-CG2 4.07Å; F353-T368 HydrophobicContact CE1-CG2 3.4Å; F353-T368 HydrophobicContact CZ-CG2 3.67Å
354	Y	84.1	Confident	79.8	Confident	17 Å²	17	61.6 Å²	61.6	7%	0.067	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	161.5	171.5	81.3	-83.2	0	0	0	110.1	H356 C366 C367 T368 G410 Q412	Y354-H356 HydrophobicContact CE2-CB 4.11Å; Y354-H356 PolarHBondContact O-N 2.86Å; Y354-C366 WeakPolarHBondContact O-CA 3.27Å; Y354-C367 HydrophobicContact CD1-CB 4.24Å; Y354-C367 WeakPolarHBondContact CD1-O 2.98Å; Y354-C367 HydrophobicContact CE1-CB 3.74Å; Y354-C367 PolarHBondContact N-O 2.67Å; Y354-C367 PolarHBondContact O-N 2.79Å; Y354-T368 VanDerWaalsContact CE1-O 3.24Å; Y354-T368 WeakPolarHBondContact CE1-O 3.46Å; Y354-G410 PolarHBondContact OH-O 3.32Å; Y354-Q412 HydrophobicContact CD1-CG 3.9Å; Y354-Q412 HydrophobicContact CD2-CG 3.99Å; Y354-Q412 HydrophobicContact CE1-CG 3.67Å; Y354-Q412 HydrophobicContact CE2-CG 3.81Å; Y354-Q412 HydrophobicContact CG-CG 4.03Å; Y354-Q412 VanDerWaalsContact CG-NE2 3.26Å
355	C	86.2	Confident	80	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.054	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	106.6	177.9	-175.2	0	0	0	0	110.7	C343 S345 D346 I357	C343-C355 VanDerWaalsContact C-SG 3.57Å; C343-C355 HydrophobicContact CB-CB 3.79Å; C343-C355 WeakPolarHBondContact CB-SG 3.42Å; C343-C355 WeakPolarHBondContact SG-CA 3.33Å; C343-C355 WeakPolarHBondContact SG-CB 3.41Å; C343-C355 CovalentContact SG-SG 2.03Å; C343-C355 PolarHBondContact SG-SG 2.76Å; S345-C355 WeakPolarHBondContact O-CB 3.26Å; D346-C355 PolarHBondContact OD1-N 3.08Å; C355-I357 HydrophobicContact CB-CD1 4.39Å; C355-I357 PolarHBondContact O-N 3.37Å; C355-I357 WeakPolarHBondContact SG-CD1 3.41Å
356	H	84.4	Confident	80.2	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.019	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	116.6	172.5	166	-81.2	0	0	0	109.5	P327 Y354 G358 S363 T364 V365 C367 Y405	P327-H356 PolarHBondContact O-CE1 2.03Å; P327-H356 PolarHBondContact O-NE2 3.46Å; P327-H356 VanDerWaalsContact O-NE2 3.14Å; Y354-H356 HydrophobicContact CE2-CB 4.11Å; Y354-H356 PolarHBondContact O-N 2.86Å; H356-G358 PolarHBondContact O-N 3.32Å; H356-S363 PolarHBondContact CE1-O 3.36Å; H356-S363 PolarHBondContact ND1-O 3.21Å; H356-T364 VanDerWaalsContact O-CA 3.24Å; H356-T364 WeakPolarHBondContact O-CA 3.39Å; H356-V365 WeakPolarHBondContact CB-O 3.48Å; H356-V365 PolarHBondContact N-O 3.11Å; H356-V365 PolarHBondContact O-N 2.91Å; H356-V365 VanDerWaalsContact O-N 3.17Å; H356-C367 HydrophobicContact CB-CB 4.2Å; H356-C367 WeakPolarHBondContact CB-SG 3.31Å; H356-Y405 PolarHBondContact CE1-OH 3.1Å; H356-Y405 AromaticContact NE2-CZ 3.99Å; H356-Y405 PolarHBondContact NE2-OH 2.03Å
357	I	84.9	Confident	80.4	Confident	64 Å²	64	50 Å²	50	33%	0.328	28%	0.278	S	S	.	.			trans	-92.7	93.3	179	-48.5	-59.1	0	0	0	110.5	C355 T364 R390	C355-I357 HydrophobicContact CB-CD1 4.39Å; C355-I357 PolarHBondContact O-N 3.37Å; C355-I357 WeakPolarHBondContact SG-CD1 3.41Å; I357-T364 HydrophobicContact CD1-CG2 3.87Å; I357-R390 PolarHBondContact O-NH1 2.99Å; I357-R390 PolarHBondContact O-NH2 3.4Å
358	G	80.6	Confident	80.4	Confident	6 Å²	6	40.6 Å²	40.6	6%	0.062	25%	0.247	C	C	.	.			trans	-76.4	-169.5	172.3	0	0	0	0	0	113.7	H356 S363 T364 R390 G407	H356-G358 PolarHBondContact O-N 3.32Å; G358-S363 WeakPolarHBondContact CA-OG 3.49Å; G358-T364 PolarHBondContact N-OG1 3.08Å; G358-R390 PolarHBondContact O-NH2 2.93Å; G358-G407 WeakPolarHBondContact CA-O 3.23Å
359	G	76.5	Confident	80	Confident	35 Å²	35	39.3 Å²	39.3	36%	0.361	25%	0.246	S	C	.	.	S	Bend	trans	-93.3	-13.2	177.9	0	0	0	0	0	115.5	S363 E386 G407	G359-S363 PolarHBondContact N-OG 3.24Å; G359-E386 WeakPolarHBondContact CA-OE2 3.22Å; G359-E386 PolarHBondContact N-OE2 3.39Å; G359-G407 PolarHBondContact N-O 3.41Å
360	S	77.5	Confident	79.5	Confident	26 Å²	26	39.7 Å²	39.7	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	-128	150.6	176.4	46.3	0	0	0	0	112	S362 S363 T364 E386	S360-S362 PolarHBondContact O-N 3.13Å; S360-S363 PolarHBondContact N-OG 3.06Å; S360-S363 WeakPolarHBondContact O-CA 3.5Å; S360-S363 PolarHBondContact O-N 3.27Å; S360-S363 PolarHBondContact O-OG 3.16Å; S360-S363 PolarHBondContact OG-OG 3.08Å; S360-T364 PolarHBondContact O-N 2.84Å; S360-T364 PolarHBondContact O-OG1 3.15Å; S360-E386 VanDerWaalsContact CB-OE1 3.29Å; S360-E386 WeakPolarHBondContact CB-OE1 3.46Å; S360-E386 PolarHBondContact N-OE1 3.45Å; S360-E386 PolarHBondContact OG-OE1 3.47Å
361	P	77.8	Confident	78.8	Confident	107 Å²	107	44.6 Å²	44.6	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-6.5	-179.2	-25	34.9	0	0	0	116.4
362	S	75.1	Confident	78.7	Confident	70 Å²	70	42 Å²	42	49%	0.49	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-16.6	171.1	53.3	0	0	0	0	113.4	S360	S360-S362 PolarHBondContact O-N 3.13Å
363	S	78.6	Confident	78.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.9	174.6	64.1	0	0	0	0	113.8	P327 H356 G358 G359 S360 V365	P327-S363 WeakPolarHBondContact CB-O 3.22Å; H356-S363 PolarHBondContact CE1-O 3.36Å; H356-S363 PolarHBondContact ND1-O 3.21Å; G358-S363 WeakPolarHBondContact CA-OG 3.49Å; G359-S363 PolarHBondContact N-OG 3.24Å; S360-S363 PolarHBondContact N-OG 3.06Å; S360-S363 WeakPolarHBondContact O-CA 3.5Å; S360-S363 PolarHBondContact O-N 3.27Å; S360-S363 PolarHBondContact O-OG 3.16Å; S360-S363 PolarHBondContact OG-OG 3.08Å; S363-V365 PolarHBondContact O-N 3.19Å
364	T	86.2	Confident	78.9	Confident	23 Å²	23	39 Å²	39	14%	0.141	26%	0.255	C	S	.	.			trans	-88.5	99.3	175.5	-56	0	0	0	0	111.1	C343 H356 I357 G358 S360	C343-T364 WeakPolarHBondContact O-CG2 3.22Å; H356-T364 VanDerWaalsContact O-CA 3.24Å; H356-T364 WeakPolarHBondContact O-CA 3.39Å; I357-T364 HydrophobicContact CD1-CG2 3.87Å; G358-T364 PolarHBondContact N-OG1 3.08Å; S360-T364 PolarHBondContact O-N 2.84Å; S360-T364 PolarHBondContact O-OG1 3.15Å
365	V	84.8	Confident	79	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.9	-167.1	-62.1	0	0	0	0	112.1	P327 R340 I341 H356 S363	P327-V365 HydrophobicContact CB-CG2 4.06Å; P327-V365 HydrophobicContact CG-CG2 3.92Å; R340-V365 HydrophobicContact CB-CB 4.37Å; R340-V365 HydrophobicContact CB-CG1 3.84Å; I341-V365 CarbonylContact O-C 3.48Å; I341-V365 VanDerWaalsContact O-CA 3.28Å; I341-V365 WeakPolarHBondContact O-CA 3.01Å; H356-V365 WeakPolarHBondContact CB-O 3.48Å; H356-V365 PolarHBondContact N-O 3.11Å; H356-V365 PolarHBondContact O-N 2.91Å; H356-V365 VanDerWaalsContact O-N 3.17Å; S363-V365 PolarHBondContact O-N 3.19Å
366	C	84.7	Confident	78.8	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.02	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126	174.7	-61.5	0	0	0	0	112.4	H333 I341 C349 F353 Y354	H333-C366 PolarHBondContact ND1-O 3.24Å; I341-C366 HydrophobicContact CB-CB 4.4Å; I341-C366 PolarHBondContact O-N 3.23Å; C349-C366 WeakPolarHBondContact CA-SG 3.41Å; C349-C366 HydrophobicContact CB-CB 3.87Å; C349-C366 WeakPolarHBondContact CB-SG 3.45Å; C349-C366 VanDerWaalsContact SG-CA 3.56Å; C349-C366 WeakPolarHBondContact SG-CB 3.32Å; C349-C366 CovalentContact SG-SG 2.05Å; C349-C366 PolarHBondContact SG-SG 2.83Å; F353-C366 HydrophobicContact CB-CB 4.4Å; Y354-C366 WeakPolarHBondContact O-CA 3.27Å
367	C	80.2	Confident	78.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.5	175.4	-64.9	0	0	0	0	110.6	C328 F353 Y354 H356	C328-C367 VanDerWaalsContact CA-SG 3.51Å; C328-C367 HydrophobicContact CB-CB 3.9Å; C328-C367 WeakPolarHBondContact CB-SG 3.23Å; C328-C367 VanDerWaalsContact SG-CA 3.56Å; C328-C367 WeakPolarHBondContact SG-CB 3.45Å; C328-C367 CovalentContact SG-SG 2.03Å; C328-C367 PolarHBondContact SG-SG 2.86Å; F353-C367 CarbonylContact C-O 3.56Å; F353-C367 VanDerWaalsContact CA-O 3.23Å; F353-C367 WeakPolarHBondContact CA-O 3.31Å; F353-C367 WeakPolarHBondContact CB-O 3.46Å; F353-C367 VanDerWaalsContact CD1-C 3.45Å; F353-C367 WeakPolarHBondContact CD1-O 3.48Å; Y354-C367 HydrophobicContact CD1-CB 4.24Å; Y354-C367 WeakPolarHBondContact CD1-O 2.98Å; Y354-C367 HydrophobicContact CE1-CB 3.74Å; Y354-C367 PolarHBondContact N-O 2.67Å; Y354-C367 PolarHBondContact O-N 2.79Å; H356-C367 HydrophobicContact CB-CB 4.2Å; H356-C367 WeakPolarHBondContact CB-SG 3.31Å
368	T	80.7	Confident	78.4	Confident	36 Å²	36	46.6 Å²	46.6	22%	0.221	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.4	171.4	29.7	0	0	0	0	110.6	S332 F353 Y354	S332-T368 VanDerWaalsContact CB-OG1 3.24Å; S332-T368 WeakPolarHBondContact CB-OG1 3.38Å; S332-T368 WeakPolarHBondContact O-CG2 3.27Å; S332-T368 PolarHBondContact O-N 3.08Å; S332-T368 PolarHBondContact O-OG1 3.35Å; S332-T368 PolarHBondContact OG-OG1 2.82Å; F353-T368 HydrophobicContact CD1-CG2 4.07Å; F353-T368 HydrophobicContact CE1-CG2 3.4Å; F353-T368 HydrophobicContact CZ-CG2 3.67Å; Y354-T368 VanDerWaalsContact CE1-O 3.24Å; Y354-T368 WeakPolarHBondContact CE1-O 3.46Å
369	A	73.6	Confident	78.6	Confident	47 Å²	47	49.7 Å²	49.7	39%	0.388	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-64.7	144.2	177.4	0	0	0	0	0	112.5	Q352	Q352-A369 PolarHBondContact O-N 3.42Å
370	D	70.8	Confident	78.8	Confident	23 Å²	23	49 Å²	49	12%	0.123	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-74.9	149.6	178.7	-66	-59.2	0	0	0	110.5	T329 G372 L377 N411 Q412	T329-D370 PolarHBondContact OG1-OD1 2.91Å; D370-G372 PolarHBondContact O-N 2.98Å; D370-L377 HydrophobicContact CB-CD1 3.68Å; D370-L377 HydrophobicContact CB-CD2 4.37Å; D370-N411 WeakPolarHBondContact OD2-CA 2.99Å; D370-N411 WeakPolarHBondContact OD2-CB 3.4Å; D370-Q412 VanDerWaalsContact N-OE1 3.15Å; D370-Q412 PolarHBondContact OD2-N 3.14Å; D370-Q412 VanDerWaalsContact OD2-N 3.09Å
371	V	65.9	Low	78.9	Confident	152 Å²	152	52.5 Å²	52.5	92%	0.921	32%	0.324	S	S	*	.	S	Bend	trans	-82.2	100.4	-179.8	-178.2	0	0	0	0	110.2
372	G	67.3	Low	78.9	Confident	56 Å²	56	48.4 Å²	48.4	58%	0.577	30%	0.301	S	S	*	.	S	Bend	trans	153.3	-173.5	173.5	0	0	0	0	0	112.9	D370	D370-G372 PolarHBondContact O-N 2.98Å
373	D	75.6	Confident	78.6	Confident	71 Å²	71	48.5 Å²	48.5	38%	0.38	29%	0.293	S	S	.	.			trans	-77.7	121.9	164.1	-169.1	-35.3	0	0	0	108.3	C375 L376 L377	D373-C375 PolarHBondContact O-N 3.4Å; D373-C375 PolarHBondContact OD1-N 2.92Å; D373-L376 HydrophobicContact CB-CB 4.32Å; D373-L376 HydrophobicContact CB-CD1 4.03Å; D373-L376 HydrophobicContact CB-CG 4.07Å; D373-L376 PolarHBondContact O-N 2.78Å; D373-L377 PolarHBondContact O-N 2.78Å
374	K	81	Confident	78.3	Confident	70 Å²	70	49.6 Å²	49.6	30%	0.304	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-60.1	-26.3	-177.6	57	176.7	165.8	177.9	0	113.6	L376 L377 Q412 N413	K374-L376 PolarHBondContact O-N 2.84Å; K374-L377 HydrophobicContact CB-CD1 4.35Å; K374-Q412 HydrophobicContact CB-CB 3.58Å; K374-Q412 HydrophobicContact CD-CB 4.34Å; K374-N413 WeakPolarHBondContact O-CB 3.45Å; K374-N413 VanDerWaalsContact O-CG 3.28Å
375	C	86.2	Confident	77.4	Confident	10 Å²	10	55.8 Å²	55.8	7%	0.068	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-73.8	-13.1	175	-55.7	0	0	0	0	112.7	D373 Y393 C425	D373-C375 PolarHBondContact O-N 3.4Å; D373-C375 PolarHBondContact OD1-N 2.92Å; C375-Y393 HydrophobicContact CB-CD1 3.99Å; C375-Y393 HydrophobicContact CB-CG 4.21Å; C375-Y393 WeakPolarHBondContact O-CD1 3.34Å; C375-C425 HydrophobicContact CB-CB 3.86Å; C375-C425 WeakPolarHBondContact CB-SG 3.22Å; C375-C425 VanDerWaalsContact SG-CA 3.57Å; C375-C425 WeakPolarHBondContact SG-CB 3.31Å; C375-C425 CovalentContact SG-SG 2.04Å; C375-C425 PolarHBondContact SG-SG 2.95Å
376	L	82.9	Confident	76.9	Confident	111 Å²	111	58 Å²	58	58%	0.581	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-109	-0.6	-179	-57.9	-178.7	0	0	0	113.8	D373 K374 P395	D373-L376 HydrophobicContact CB-CB 4.32Å; D373-L376 HydrophobicContact CB-CD1 4.03Å; D373-L376 HydrophobicContact CB-CG 4.07Å; D373-L376 PolarHBondContact O-N 2.78Å; K374-L376 PolarHBondContact O-N 2.84Å; L376-P395 HydrophobicContact CD2-CB 3.91Å; L376-P395 HydrophobicContact CD2-CG 4.3Å
377	L	79.9	Confident	76.7	Confident	27 Å²	27	63.4 Å²	63.4	14%	0.141	37%	0.372	C	S	.	.	S	Bend	trans	-70.4	143.6	174.8	-59.5	170.6	0	0	0	110.1	D370 D373 K374 N411 Q412 N413	D370-L377 HydrophobicContact CB-CD1 3.68Å; D370-L377 HydrophobicContact CB-CD2 4.37Å; D373-L377 PolarHBondContact O-N 2.78Å; K374-L377 HydrophobicContact CB-CD1 4.35Å; L377-N411 HydrophobicContact CD1-CB 4.42Å; L377-Q412 HydrophobicContact CD1-CB 4.02Å; L377-N413 HydrophobicContact CB-CB 4.17Å; L377-N413 PolarHBondContact O-ND2 2.85Å
378	P	80.9	Confident	76.8	Confident	104 Å²	104	65.7 Å²	65.7	68%	0.675	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-57.1	149.9	173.1	-22.8	33.2	0	0	0	111.9	A380 N411	P378-A380 PolarHBondContact O-N 2.9Å; P378-N411 PolarHBondContact O-ND2 3.36Å
379	V	83.5	Confident	77.1	Confident	70 Å²	70	68.6 Å²	68.6	42%	0.424	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-64.6	131.8	175.3	67.7	0	0	0	0	110.9	Y392 F403	V379-Y392 HydrophobicContact CB-CD1 4.4Å; V379-Y392 HydrophobicContact CB-CD2 4.08Å; V379-Y392 HydrophobicContact CB-CE2 4.28Å; V379-Y392 HydrophobicContact CB-CG 4.15Å; V379-Y392 HydrophobicContact CG2-CD1 3.89Å; V379-Y392 HydrophobicContact CG2-CD2 4.38Å; V379-Y392 HydrophobicContact CG2-CE1 4.3Å; V379-Y392 HydrophobicContact CG2-CG 3.93Å; V379-F403 HydrophobicContact CG2-CB 3.93Å; V379-F403 HydrophobicContact CG2-CD1 3.85Å; V379-F403 HydrophobicContact CG2-CD2 3.37Å; V379-F403 HydrophobicContact CG2-CE1 4.13Å; V379-F403 HydrophobicContact CG2-CE2 3.72Å; V379-F403 HydrophobicContact CG2-CG 3.44Å; V379-F403 VanDerWaalsContact CG2-CG 3.44Å; V379-F403 HydrophobicContact CG2-CZ 4.06Å
380	A	82.1	Confident	77.9	Confident	20 Å²	20	67 Å²	67	17%	0.165	39%	0.386	C	S	.	.			trans	-115.6	96.8	-178.2	0	0	0	0	0	110.8	P378 G382 F403 N411	P378-A380 PolarHBondContact O-N 2.9Å; A380-G382 PolarHBondContact O-N 3.38Å; A380-F403 WeakPolarHBondContact O-CE2 3.17Å; A380-N411 HydrophobicContact CB-CB 4.22Å
381	E	78.8	Confident	78.9	Confident	101 Å²	101	68.9 Å²	68.9	47%	0.472	39%	0.391	S	S	.	.			trans	-58.8	-30.5	179.3	-153.6	-167	138.9	0	0	112.4	L404 Y405 R406	E381-L404 WeakPolarHBondContact CG-O 3.29Å; E381-Y405 VanDerWaalsContact O-CD2 3.29Å; E381-Y405 WeakPolarHBondContact O-CD2 3.44Å; E381-R406 HydrophobicContact CG-CG 4.33Å; E381-R406 PolarHBondContact O-N 2.03Å
382	G	77.7	Confident	80.1	Confident	20 Å²	20	63.9 Å²	63.9	21%	0.206	36%	0.356	C	S	.	.			trans	79.6	-166.7	176.4	0	0	0	0	0	114.3	A380 R408	A380-G382 PolarHBondContact O-N 3.38Å; G382-R408 CarbonylContact C-O 3.6Å; G382-R408 WeakPolarHBondContact CA-O 3.32Å
383	H	68.6	Low	81.1	Confident	72 Å²	72	62.5 Å²	62.5	33%	0.333	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-128.1	157.6	177	-63.6	-95.2	0	0	0	111.2	R406 R408	H383-R406 CarbonylContact C-O 3.5Å; H383-R406 CarbonylContact O-C 3.2Å; H383-R408 PolarHBondContact N-O 2.82Å; H383-R408 VanDerWaalsContact O-CB 3.27Å; H383-R408 WeakPolarHBondContact O-CB 3.34Å; H383-R408 PolarHBondContact O-N 2.03Å
384	G	73.1	Confident	81.5	Confident	24 Å²	24	60 Å²	60	25%	0.247	32%	0.32	C	S	.	.	S	Bend	trans	123.8	177.6	-178.6	0	0	0	0	0	112.7	R406	G384-R406 CarbonylContact C-O 3.51Å; G384-R406 WeakPolarHBondContact CA-O 3.44Å; G384-R406 VanDerWaalsContact O-CZ 3.31Å; G384-R406 PolarHBondContact O-NE 2.77Å; G384-R406 PolarHBondContact O-NH2 2.88Å
385	D	66.9	Low	81.1	Confident	152 Å²	152	59 Å²	59	81%	0.813	32%	0.321	S	S	*	.	S	Bend	trans	-101.5	-1.7	-179.9	-54.8	-48.7	0	0	0	112.7
386	E	73.4	Confident	80	Confident	47 Å²	47	68.9 Å²	68.9	22%	0.22	36%	0.359	C	S	.	.			trans	-71	148.7	176.4	-62.8	157.4	168.5	0	0	108.6	G359 S360 L388 R406 G407	G359-E386 WeakPolarHBondContact CA-OE2 3.22Å; G359-E386 PolarHBondContact N-OE2 3.39Å; S360-E386 VanDerWaalsContact CB-OE1 3.29Å; S360-E386 WeakPolarHBondContact CB-OE1 3.46Å; S360-E386 PolarHBondContact N-OE1 3.45Å; S360-E386 PolarHBondContact OG-OE1 3.47Å; E386-L388 HydrophobicContact CB-CD1 4.43Å; E386-L388 HydrophobicContact CB-CG 4.28Å; E386-R406 WeakPolarHBondContact O-CA 3.33Å; E386-G407 VanDerWaalsContact OE2-CA 3.24Å; E386-G407 WeakPolarHBondContact OE2-CA 3.48Å
387	Q	80.5	Confident	79.5	Confident	118 Å²	118	66.6 Å²	66.6	55%	0.551	35%	0.349	S	S	*	.			trans	-130.3	71.7	-175.3	-68.9	-70.5	-80.6	0	0	109.4	L404	Q387-L404 HydrophobicContact CB-CD1 4.1Å
388	L	82.9	Confident	78.9	Confident	49 Å²	49	69.3 Å²	69.3	26%	0.257	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.5	-169.5	-51.5	170.9	0	0	0	110	E386 R390 Y405	E386-L388 HydrophobicContact CB-CD1 4.43Å; E386-L388 HydrophobicContact CB-CG 4.28Å; L388-R390 PolarHBondContact O-N 3.21Å; L388-Y405 WeakPolarHBondContact CB-O 3.45Å; L388-Y405 HydrophobicContact CD1-CD1 4.16Å; L388-Y405 PolarHBondContact N-O 2.03Å; L388-Y405 PolarHBondContact O-N 2.86Å
389	T	86.8	Confident	78.7	Confident	97 Å²	97	66.8 Å²	66.8	60%	0.595	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.9	168.6	-47.6	0	0	0	0	109.3	P402	T389-P402 HydrophobicContact CG2-CB 4.15Å
390	R	91.9	Very high	78.8	Confident	13 Å²	13	63.8 Å²	63.8	5%	0.049	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	172	175.1	-64.8	-66.3	178.6	79.7	1.2	109.1	I357 G358 L388 P402 F403 Y405 N414 F415	I357-R390 PolarHBondContact O-NH1 2.99Å; I357-R390 PolarHBondContact O-NH2 3.4Å; G358-R390 PolarHBondContact O-NH2 2.93Å; L388-R390 PolarHBondContact O-N 3.21Å; R390-P402 CarbonylContact O-C 3.55Å; R390-P402 WeakPolarHBondContact O-CA 3.06Å; R390-F403 HydrophobicContact CB-CD1 4.05Å; R390-F403 HydrophobicContact CB-CE1 3.57Å; R390-F403 HydrophobicContact CB-CZ 3.92Å; R390-F403 PolarHBondContact N-O 3.49Å; R390-F403 PolarHBondContact O-N 3.06Å; R390-Y405 VanDerWaalsContact CG-CB 3.49Å; R390-Y405 HydrophobicContact CG-CD1 4.01Å; R390-Y405 HydrophobicContact CG-CG 4.08Å; R390-N414 WeakPolarHBondContact CB-OD1 3.02Å; R390-N414 WeakPolarHBondContact CD-OD1 3.47Å; R390-N414 WeakPolarHBondContact CG-OD1 3.47Å; R390-N414 PolarHBondContact NH1-OD1 2.79Å; R390-F415 CarbonylContact C-O 3.4Å; R390-F415 WeakPolarHBondContact CA-O 3.47Å
391	W	90.9	Very high	79	Confident	63 Å²	63	68.3 Å²	68.3	24%	0.239	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.1	-178.2	-66.1	73.8	0	0	0	110.1	C400 R401 P402 F415 P418 C421	W391-C400 HydrophobicContact CE3-CB 4.46Å; W391-C400 WeakPolarHBondContact CZ3-O 3.01Å; W391-R401 CarbonylContact C-O 3.53Å; W391-R401 VanDerWaalsContact CA-O 3.25Å; W391-R401 WeakPolarHBondContact CA-O 3.44Å; W391-R401 VanDerWaalsContact CE3-C 3.43Å; W391-P402 HydrophobicContact CD2-CB 4.03Å; W391-P402 HydrophobicContact CE3-CB 4.23Å; W391-P402 HydrophobicContact CH2-CB 4.17Å; W391-P402 HydrophobicContact CH2-CG 4.08Å; W391-P402 HydrophobicContact CZ2-CB 3.94Å; W391-P402 HydrophobicContact CZ2-CG 4.3Å; W391-P402 HydrophobicContact CZ3-CB 4.31Å; W391-P402 HydrophobicContact CZ3-CG 4.2Å; W391-F415 HydrophobicContact CB-CB 4.3Å; W391-F415 PolarHBondContact N-O 2.81Å; W391-F415 WeakPolarHBondContact O-CB 3.29Å; W391-F415 WeakPolarHBondContact O-CD2 3.39Å; W391-F415 PolarHBondContact O-N 2.81Å; W391-P418 HydrophobicContact CD2-CB 3.82Å; W391-P418 HydrophobicContact CD2-CG 4.23Å; W391-P418 HydrophobicContact CE3-CB 3.65Å; W391-P418 HydrophobicContact CE3-CG 4.39Å; W391-P418 HydrophobicContact CG-CB 4.48Å; W391-P418 HydrophobicContact CH2-CB 4.09Å; W391-P418 HydrophobicContact CH2-CG 4.14Å; W391-P418 HydrophobicContact CZ2-CB 4.26Å; W391-P418 HydrophobicContact CZ2-CG 3.97Å; W391-P418 HydrophobicContact CZ3-CB 3.78Å; W391-P418 HydrophobicContact CZ3-CG 4.34Å; W391-C421 HydrophobicContact CB-CB 4.41Å
392	Y	91.6	Very high	79.6	Confident	46 Å²	46	66.9 Å²	66.9	18%	0.18	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.3	176.6	79.2	-79.6	0	0	0	109.3	V379 D394 C400 R401 F403 N413	V379-Y392 HydrophobicContact CB-CD1 4.4Å; V379-Y392 HydrophobicContact CB-CD2 4.08Å; V379-Y392 HydrophobicContact CB-CE2 4.28Å; V379-Y392 HydrophobicContact CB-CG 4.15Å; V379-Y392 HydrophobicContact CG2-CD1 3.89Å; V379-Y392 HydrophobicContact CG2-CD2 4.38Å; V379-Y392 HydrophobicContact CG2-CE1 4.3Å; V379-Y392 HydrophobicContact CG2-CG 3.93Å; Y392-D394 HydrophobicContact CD2-CB 4.49Å; Y392-D394 HydrophobicContact CE2-CB 3.73Å; Y392-C400 CarbonylContact O-C 3.19Å; Y392-C400 VanDerWaalsContact O-CA 3.31Å; Y392-C400 WeakPolarHBondContact O-CA 3.37Å; Y392-R401 HydrophobicContact CD1-CB 4.31Å; Y392-R401 VanDerWaalsContact CD1-O 3.23Å; Y392-R401 WeakPolarHBondContact CD1-O 2.99Å; Y392-R401 HydrophobicContact CE1-CB 3.77Å; Y392-R401 PolarHBondContact N-O 3.34Å; Y392-R401 PolarHBondContact O-N 2.86Å; Y392-F403 HydrophobicContact CD1-CB 4Å; Y392-F403 AromaticContact CD1-CD1 3.74Å; Y392-F403 HydrophobicContact CD1-CD1 3.74Å; Y392-F403 HydrophobicContact CD1-CG 4.15Å; Y392-F403 HydrophobicContact CE1-CB 4.22Å; Y392-F403 HydrophobicContact CG-CD1 4.29Å; Y392-N413 WeakPolarHBondContact CA-OD1 3.48Å; Y392-N413 WeakPolarHBondContact CB-O 3.4Å
393	Y	88.9	Confident	80.1	Confident	27 Å²	27	67 Å²	67	11%	0.106	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.6	172.5	-173.8	-97.2	0	0	0	109.7	C375 P395 Q398 N413 C425	C375-Y393 HydrophobicContact CB-CD1 3.99Å; C375-Y393 HydrophobicContact CB-CG 4.21Å; C375-Y393 WeakPolarHBondContact O-CD1 3.34Å; Y393-P395 HydrophobicContact CD1-CB 4.44Å; Y393-P395 HydrophobicContact CE1-CB 4.16Å; Y393-P395 WeakPolarHBondContact O-CD 3.42Å; Y393-Q398 WeakPolarHBondContact OH-CA 3.41Å; Y393-N413 PolarHBondContact N-OD1 2.8Å; Y393-N413 PolarHBondContact O-ND2 3.07Å; Y393-N413 VanDerWaalsContact O-ND2 3.16Å; Y393-C425 HydrophobicContact CD1-CB 4.36Å; Y393-C425 HydrophobicContact CD2-CB 3.34Å; Y393-C425 HydrophobicContact CE2-CB 3.81Å; Y393-C425 HydrophobicContact CG-CB 3.65Å
394	D	83	Confident	81	Confident	18 Å²	18	66.7 Å²	66.7	10%	0.096	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	105.8	174.8	178.5	-11	0	0	0	108.8	Y392 Y396 V397 Q398 S399 R401	Y392-D394 HydrophobicContact CD2-CB 4.49Å; Y392-D394 HydrophobicContact CE2-CB 3.73Å; D394-Y396 PolarHBondContact O-N 3.46Å; D394-Y396 WeakPolarHBondContact OD1-CB 3.35Å; D394-Y396 WeakPolarHBondContact OD1-CD2 3Å; D394-Y396 PolarHBondContact OD1-N 2.82Å; D394-V397 HydrophobicContact CB-CG2 3.73Å; D394-V397 PolarHBondContact O-N 3.28Å; D394-Q398 WeakPolarHBondContact O-CA 3.08Å; D394-Q398 PolarHBondContact O-N 2.04Å; D394-S399 PolarHBondContact N-O 3.17Å; D394-S399 PolarHBondContact O-N 3.47Å; D394-R401 IonicContact OD2-NH1 3.59Å; D394-R401 PolarHBondContact OD2-NH1 3.37Å
395	P	72.6	Confident	81.7	Confident	51 Å²	51	65.5 Å²	65.5	33%	0.331	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.7	-175.3	28.9	-35.7	0	0	0	113.7	L376 Y393	L376-P395 HydrophobicContact CD2-CB 3.91Å; L376-P395 HydrophobicContact CD2-CG 4.3Å; Y393-P395 HydrophobicContact CD1-CB 4.44Å; Y393-P395 HydrophobicContact CE1-CB 4.16Å; Y393-P395 WeakPolarHBondContact O-CD 3.42Å
396	Y	63.2	Low	82.5	Confident	216 Å²	216	62.4 Å²	62.4	85%	0.847	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-30.3	177.8	-62.4	-81.5	0	0	0	112.4	D394	D394-Y396 PolarHBondContact O-N 3.46Å; D394-Y396 WeakPolarHBondContact OD1-CB 3.35Å; D394-Y396 WeakPolarHBondContact OD1-CD2 3Å; D394-Y396 PolarHBondContact OD1-N 2.82Å
397	V	71.8	Confident	82.9	Confident	63 Å²	63	60.1 Å²	60.1	38%	0.382	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-0.4	173.5	-57.9	0	0	0	0	113.4	D394 S399	D394-V397 HydrophobicContact CB-CG2 3.73Å; D394-V397 PolarHBondContact O-N 3.28Å; V397-S399 PolarHBondContact O-N 2.94Å
398	Q	67.1	Low	83	Confident	84 Å²	84	57.9 Å²	57.9	39%	0.393	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	37.3	-179.5	-58.1	-179.9	-7	0	0	113.2	Y393 D394 V431	Y393-Q398 WeakPolarHBondContact OH-CA 3.41Å; D394-Q398 WeakPolarHBondContact O-CA 3.08Å; D394-Q398 PolarHBondContact O-N 2.04Å; Q398-V431 VanDerWaalsContact NE2-CG1 3.26Å
399	S	76.4	Confident	82.8	Confident	51 Å²	51	57 Å²	57	36%	0.357	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.5	-170.6	-173	0	0	0	0	111.6	D394 V397	D394-S399 PolarHBondContact N-O 3.17Å; D394-S399 PolarHBondContact O-N 3.47Å; V397-S399 PolarHBondContact O-N 2.94Å
400	C	87	Confident	82.4	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.6	177.8	-69.9	0	0	0	0	111	W391 Y392 C421 E422	W391-C400 HydrophobicContact CE3-CB 4.46Å; W391-C400 WeakPolarHBondContact CZ3-O 3.01Å; Y392-C400 CarbonylContact O-C 3.19Å; Y392-C400 VanDerWaalsContact O-CA 3.31Å; Y392-C400 WeakPolarHBondContact O-CA 3.37Å; C400-C421 HydrophobicContact CB-CB 3.66Å; C400-C421 WeakPolarHBondContact CB-SG 3.17Å; C400-C421 WeakPolarHBondContact SG-CB 3.46Å; C400-C421 CovalentContact SG-SG 2.03Å; C400-C421 PolarHBondContact SG-SG 3.35Å; C400-E422 HydrophobicContact CB-CG 4.09Å; C400-E422 PolarHBondContact SG-N 3.31Å
401	R	86.3	Confident	82	Confident	115 Å²	115	52.8 Å²	52.8	43%	0.434	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.9	-178.5	-72.8	-162.8	159.3	158.7	-4.9	112.4	W391 Y392 D394	W391-R401 CarbonylContact C-O 3.53Å; W391-R401 VanDerWaalsContact CA-O 3.25Å; W391-R401 WeakPolarHBondContact CA-O 3.44Å; W391-R401 VanDerWaalsContact CE3-C 3.43Å; Y392-R401 HydrophobicContact CD1-CB 4.31Å; Y392-R401 VanDerWaalsContact CD1-O 3.23Å; Y392-R401 WeakPolarHBondContact CD1-O 2.99Å; Y392-R401 HydrophobicContact CE1-CB 3.77Å; Y392-R401 PolarHBondContact N-O 3.34Å; Y392-R401 PolarHBondContact O-N 2.86Å; D394-R401 IonicContact OD2-NH1 3.59Å; D394-R401 PolarHBondContact OD2-NH1 3.37Å
402	P	90.2	Very high	81.8	Confident	71 Å²	71	51.4 Å²	51.4	46%	0.461	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148	176.2	31.7	-31.7	0	0	0	110.6	T389 R390 W391	T389-P402 HydrophobicContact CG2-CB 4.15Å; R390-P402 CarbonylContact O-C 3.55Å; R390-P402 WeakPolarHBondContact O-CA 3.06Å; W391-P402 HydrophobicContact CD2-CB 4.03Å; W391-P402 HydrophobicContact CE3-CB 4.23Å; W391-P402 HydrophobicContact CH2-CB 4.17Å; W391-P402 HydrophobicContact CH2-CG 4.08Å; W391-P402 HydrophobicContact CZ2-CB 3.94Å; W391-P402 HydrophobicContact CZ2-CG 4.3Å; W391-P402 HydrophobicContact CZ3-CB 4.31Å; W391-P402 HydrophobicContact CZ3-CG 4.2Å
403	F	89.7	Confident	81.7	Confident	23 Å²	23	49.2 Å²	49.2	10%	0.101	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	164.7	169	78.8	-76.4	0	0	0	110.5	V379 A380 R390 Y392 Y405 N414	V379-F403 HydrophobicContact CG2-CB 3.93Å; V379-F403 HydrophobicContact CG2-CD1 3.85Å; V379-F403 HydrophobicContact CG2-CD2 3.37Å; V379-F403 HydrophobicContact CG2-CE1 4.13Å; V379-F403 HydrophobicContact CG2-CE2 3.72Å; V379-F403 HydrophobicContact CG2-CG 3.44Å; V379-F403 VanDerWaalsContact CG2-CG 3.44Å; V379-F403 HydrophobicContact CG2-CZ 4.06Å; A380-F403 WeakPolarHBondContact O-CE2 3.17Å; R390-F403 HydrophobicContact CB-CD1 4.05Å; R390-F403 HydrophobicContact CB-CE1 3.57Å; R390-F403 HydrophobicContact CB-CZ 3.92Å; R390-F403 PolarHBondContact N-O 3.49Å; R390-F403 PolarHBondContact O-N 3.06Å; Y392-F403 HydrophobicContact CD1-CB 4Å; Y392-F403 AromaticContact CD1-CD1 3.74Å; Y392-F403 HydrophobicContact CD1-CD1 3.74Å; Y392-F403 HydrophobicContact CD1-CG 4.15Å; Y392-F403 HydrophobicContact CE1-CB 4.22Å; Y392-F403 HydrophobicContact CG-CD1 4.29Å; F403-Y405 HydrophobicContact CE2-CD2 4.35Å; F403-N414 HydrophobicContact CE1-CB 4.48Å; F403-N414 HydrophobicContact CZ-CB 4.08Å
404	L	87.7	Confident	81.7	Confident	65 Å²	65	49.4 Å²	49.4	34%	0.34	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.7	175.5	-179.6	65	0	0	0	109.5	E381 Q387	E381-L404 WeakPolarHBondContact CG-O 3.29Å; Q387-L404 HydrophobicContact CB-CD1 4.1Å
405	Y	87.9	Confident	82	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.5	176.2	180	-124.5	0	0	0	111.1	H356 E381 L388 R390 F403 G407 R408 G410 N414	H356-Y405 PolarHBondContact CE1-OH 3.1Å; H356-Y405 AromaticContact NE2-CZ 3.99Å; H356-Y405 PolarHBondContact NE2-OH 2.03Å; E381-Y405 VanDerWaalsContact O-CD2 3.29Å; E381-Y405 WeakPolarHBondContact O-CD2 3.44Å; L388-Y405 WeakPolarHBondContact CB-O 3.45Å; L388-Y405 HydrophobicContact CD1-CD1 4.16Å; L388-Y405 PolarHBondContact N-O 2.03Å; L388-Y405 PolarHBondContact O-N 2.86Å; R390-Y405 VanDerWaalsContact CG-CB 3.49Å; R390-Y405 HydrophobicContact CG-CD1 4.01Å; R390-Y405 HydrophobicContact CG-CG 4.08Å; F403-Y405 HydrophobicContact CE2-CD2 4.35Å; Y405-G407 VanDerWaalsContact C-N 3.29Å; Y405-G407 VanDerWaalsContact CZ-C 3.46Å; Y405-G407 PolarHBondContact O-N 3.36Å; Y405-G407 PolarHBondContact OH-O 3.45Å; Y405-R408 VanDerWaalsContact OH-CA 3.24Å; Y405-R408 WeakPolarHBondContact OH-CA 3.05Å; Y405-R408 PolarHBondContact OH-N 2.83Å; Y405-R408 VanDerWaalsContact OH-N 3.14Å; Y405-G410 VanDerWaalsContact CE2-CA 3.43Å; Y405-G410 PolarHBondContact OH-N 3.35Å; Y405-N414 VanDerWaalsContact CD2-ND2 3.35Å; Y405-N414 WeakPolarHBondContact CD2-ND2 3.35Å
406	R	82.9	Confident	82.6	Confident	86 Å²	86	53.1 Å²	53.1	33%	0.325	25%	0.251	S	S	.	.			trans	-85	0.7	-173.5	-59.6	-171.3	67.8	138	1.7	114.9	E381 H383 G384 E386	E381-R406 HydrophobicContact CG-CG 4.33Å; E381-R406 PolarHBondContact O-N 2.03Å; H383-R406 CarbonylContact C-O 3.5Å; H383-R406 CarbonylContact O-C 3.2Å; G384-R406 CarbonylContact C-O 3.51Å; G384-R406 WeakPolarHBondContact CA-O 3.44Å; G384-R406 VanDerWaalsContact O-CZ 3.31Å; G384-R406 PolarHBondContact O-NE 2.77Å; G384-R406 PolarHBondContact O-NH2 2.88Å; E386-R406 WeakPolarHBondContact O-CA 3.33Å
407	G	81	Confident	83.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	96.9	-13.1	166.3	0	0	0	0	0	116.5	G358 G359 E386 Y405	G358-G407 WeakPolarHBondContact CA-O 3.23Å; G359-G407 PolarHBondContact N-O 3.41Å; E386-G407 VanDerWaalsContact OE2-CA 3.24Å; E386-G407 WeakPolarHBondContact OE2-CA 3.48Å; Y405-G407 VanDerWaalsContact C-N 3.29Å; Y405-G407 VanDerWaalsContact CZ-C 3.46Å; Y405-G407 PolarHBondContact O-N 3.36Å; Y405-G407 PolarHBondContact OH-O 3.45Å
408	R	83.1	Confident	84.2	Confident	71 Å²	71	45.2 Å²	45.2	27%	0.268	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-133.7	153.6	171.3	-54.1	174.7	-178.7	-130	-5.4	110.6	G382 H383 Y405 G410	G382-R408 CarbonylContact C-O 3.6Å; G382-R408 WeakPolarHBondContact CA-O 3.32Å; H383-R408 PolarHBondContact N-O 2.82Å; H383-R408 VanDerWaalsContact O-CB 3.27Å; H383-R408 WeakPolarHBondContact O-CB 3.34Å; H383-R408 PolarHBondContact O-N 2.03Å; Y405-R408 VanDerWaalsContact OH-CA 3.24Å; Y405-R408 WeakPolarHBondContact OH-CA 3.05Å; Y405-R408 PolarHBondContact OH-N 2.83Å; Y405-R408 VanDerWaalsContact OH-N 3.14Å; R408-G410 VanDerWaalsContact C-N 3.34Å; R408-G410 PolarHBondContact O-N 3.29Å
409	R	78.1	Confident	85	Confident	31 Å²	31	46.6 Å²	46.6	12%	0.117	23%	0.233	C	C	.	.	S	Bend	trans	59.7	37.4	179	-58.9	-164.4	165.1	139.7	-3.1	114.4	P327 C328 T329 N331	P327-R409 VanDerWaalsContact O-CA 3.25Å; P327-R409 WeakPolarHBondContact O-CA 2.98Å; P327-R409 PolarHBondContact O-N 2.99Å; C328-R409 PolarHBondContact O-NE 3.39Å; T329-R409 HydrophobicContact CG2-CB 4.5Å; T329-R409 WeakPolarHBondContact CG2-O 3.03Å; N331-R409 PolarHBondContact OD1-NH2 2.76Å
410	G	78.3	Confident	85.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.01	23%	0.227	C	C	.	.			trans	-77.6	141.5	163.9	0	0	0	0	0	110.5	T329 Y354 Y405 R408	T329-G410 WeakPolarHBondContact CG2-O 3.01Å; Y354-G410 PolarHBondContact OH-O 3.32Å; Y405-G410 VanDerWaalsContact CE2-CA 3.43Å; Y405-G410 PolarHBondContact OH-N 3.35Å; R408-G410 VanDerWaalsContact C-N 3.34Å; R408-G410 PolarHBondContact O-N 3.29Å
411	N	83.5	Confident	85.2	Confident	19 Å²	19	45 Å²	45	10%	0.102	23%	0.225	C	C	.	.			trans	-91.1	-176	169.5	68.5	13.5	0	0	0	110.8	T329 D370 L377 P378 A380 N413 N414	T329-N411 HydrophobicContact CG2-CB 4.15Å; D370-N411 WeakPolarHBondContact OD2-CA 2.99Å; D370-N411 WeakPolarHBondContact OD2-CB 3.4Å; L377-N411 HydrophobicContact CD1-CB 4.42Å; P378-N411 PolarHBondContact O-ND2 3.36Å; A380-N411 HydrophobicContact CB-CB 4.22Å; N411-N413 VanDerWaalsContact C-N 3.28Å; N411-N413 PolarHBondContact O-N 2.88Å; N411-N413 PolarHBondContact OD1-N 2.84Å; N411-N413 VanDerWaalsContact OD1-N 3.13Å; N411-N414 WeakPolarHBondContact O-CB 3.29Å
412	Q	87.8	Confident	85	Confident	34 Å²	34	43.3 Å²	43.3	16%	0.159	22%	0.222	C	C	.	.	S	Bend	trans	-72.2	-6.8	-176.5	-65.4	-179.7	-50.9	0	0	116.1	Y354 D370 K374 L377 N414	Y354-Q412 HydrophobicContact CD1-CG 3.9Å; Y354-Q412 HydrophobicContact CD2-CG 3.99Å; Y354-Q412 HydrophobicContact CE1-CG 3.67Å; Y354-Q412 HydrophobicContact CE2-CG 3.81Å; Y354-Q412 HydrophobicContact CG-CG 4.03Å; Y354-Q412 VanDerWaalsContact CG-NE2 3.26Å; D370-Q412 VanDerWaalsContact N-OE1 3.15Å; D370-Q412 PolarHBondContact OD2-N 3.14Å; D370-Q412 VanDerWaalsContact OD2-N 3.09Å; K374-Q412 HydrophobicContact CB-CB 3.58Å; K374-Q412 HydrophobicContact CD-CB 4.34Å; L377-Q412 HydrophobicContact CD1-CB 4.02Å; Q412-N414 PolarHBondContact O-N 3.48Å; Q412-N414 VanDerWaalsContact O-N 3.11Å
413	N	89.2	Confident	84.5	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.232	C	C	.	.	S	Bend	trans	-85.9	48.5	170.6	-154.7	-1.9	0	0	0	110.9	K374 L377 Y392 Y393 N411	K374-N413 WeakPolarHBondContact O-CB 3.45Å; K374-N413 VanDerWaalsContact O-CG 3.28Å; L377-N413 HydrophobicContact CB-CB 4.17Å; L377-N413 PolarHBondContact O-ND2 2.85Å; Y392-N413 WeakPolarHBondContact CA-OD1 3.48Å; Y392-N413 WeakPolarHBondContact CB-O 3.4Å; Y393-N413 PolarHBondContact N-OD1 2.8Å; Y393-N413 PolarHBondContact O-ND2 3.07Å; Y393-N413 VanDerWaalsContact O-ND2 3.16Å; N411-N413 VanDerWaalsContact C-N 3.28Å; N411-N413 PolarHBondContact O-N 2.88Å; N411-N413 PolarHBondContact OD1-N 2.84Å; N411-N413 VanDerWaalsContact OD1-N 3.13Å
414	N	89.9	Confident	84	Confident	30 Å²	30	47 Å²	47	16%	0.16	25%	0.245	C	C	.	.			trans	-139.7	91.6	-171.5	-174.5	-31.1	0	0	0	109.7	R390 F403 Y405 N411 Q412	R390-N414 WeakPolarHBondContact CB-OD1 3.02Å; R390-N414 WeakPolarHBondContact CD-OD1 3.47Å; R390-N414 WeakPolarHBondContact CG-OD1 3.47Å; R390-N414 PolarHBondContact NH1-OD1 2.79Å; F403-N414 HydrophobicContact CE1-CB 4.48Å; F403-N414 HydrophobicContact CZ-CB 4.08Å; Y405-N414 VanDerWaalsContact CD2-ND2 3.35Å; Y405-N414 WeakPolarHBondContact CD2-ND2 3.35Å; N411-N414 WeakPolarHBondContact O-CB 3.29Å; Q412-N414 PolarHBondContact O-N 3.48Å; Q412-N414 VanDerWaalsContact O-N 3.11Å
415	F	89.2	Confident	83.7	Confident	23 Å²	23	44.6 Å²	44.6	10%	0.101	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-101.7	146.3	-176.8	-59.1	-87.4	0	0	0	111.1	R390 W391 N417 C421 T424	R390-F415 CarbonylContact C-O 3.4Å; R390-F415 WeakPolarHBondContact CA-O 3.47Å; W391-F415 HydrophobicContact CB-CB 4.3Å; W391-F415 PolarHBondContact N-O 2.81Å; W391-F415 WeakPolarHBondContact O-CB 3.29Å; W391-F415 WeakPolarHBondContact O-CD2 3.39Å; W391-F415 PolarHBondContact O-N 2.81Å; F415-N417 VanDerWaalsContact C-N 3.35Å; F415-N417 PolarHBondContact O-N 2.82Å; F415-C421 HydrophobicContact CB-CB 3.76Å; F415-C421 HydrophobicContact CD1-CB 4.18Å; F415-C421 HydrophobicContact CD2-CB 3.58Å; F415-C421 HydrophobicContact CE2-CB 4.19Å; F415-C421 HydrophobicContact CG-CB 3.57Å; F415-T424 HydrophobicContact CE1-CG2 3.84Å; F415-T424 HydrophobicContact CZ-CG2 3.99Å
416	L	83.7	Confident	82.5	Confident	125 Å²	125	47.2 Å²	47.2	65%	0.654	25%	0.252	S	S	*	.	S	Bend	trans	-71.7	-27.9	-177.7	-173.8	61.8	0	0	0	113.3
417	N	85	Confident	80.9	Confident	69 Å²	69	50.7 Å²	50.7	37%	0.369	28%	0.277	S	S	.	.	S	Bend	trans	-153.5	160.3	-175	62.2	61.4	0	0	0	110.3	F415 L419 G420 C421	F415-N417 VanDerWaalsContact C-N 3.35Å; F415-N417 PolarHBondContact O-N 2.82Å; N417-L419 PolarHBondContact O-N 2.78Å; N417-L419 PolarHBondContact OD1-N 3.3Å; N417-G420 PolarHBondContact O-N 3.29Å; N417-G420 PolarHBondContact OD1-N 3.42Å; N417-C421 PolarHBondContact O-N 3.23Å
418	P	83.6	Confident	79	Confident	44 Å²	44	57.5 Å²	57.5	29%	0.286	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-40.8	-175.5	21	-28.7	0	0	0	112.1	W391 G420 C421 E422	W391-P418 HydrophobicContact CD2-CB 3.82Å; W391-P418 HydrophobicContact CD2-CG 4.23Å; W391-P418 HydrophobicContact CE3-CB 3.65Å; W391-P418 HydrophobicContact CE3-CG 4.39Å; W391-P418 HydrophobicContact CG-CB 4.48Å; W391-P418 HydrophobicContact CH2-CB 4.09Å; W391-P418 HydrophobicContact CH2-CG 4.14Å; W391-P418 HydrophobicContact CZ2-CB 4.26Å; W391-P418 HydrophobicContact CZ2-CG 3.97Å; W391-P418 HydrophobicContact CZ3-CB 3.78Å; W391-P418 HydrophobicContact CZ3-CG 4.34Å; P418-G420 VanDerWaalsContact C-N 3.31Å; P418-G420 PolarHBondContact O-N 3.33Å; P418-C421 CarbonylContact O-C 3.36Å; P418-C421 WeakPolarHBondContact O-CA 3.43Å; P418-C421 WeakPolarHBondContact O-CB 3.24Å; P418-C421 PolarHBondContact O-N 3.2Å; P418-E422 WeakPolarHBondContact O-CG 3.42Å; P418-E422 PolarHBondContact O-N 3.04Å
419	L	83.9	Confident	76.9	Confident	113 Å²	113	63.5 Å²	63.5	59%	0.592	35%	0.345	S	S	*	.	H	α-helix	trans	-58.5	-39.8	-179.9	-177.2	65.9	0	0	0	112.7	N417 T423	N417-L419 PolarHBondContact O-N 2.78Å; N417-L419 PolarHBondContact OD1-N 3.3Å; L419-T423 HydrophobicContact CD1-CG2 4.11Å; L419-T423 HydrophobicContact CG-CG2 4.43Å; L419-T423 WeakPolarHBondContact O-CB 3.44Å; L419-T423 VanDerWaalsContact O-CG2 3.3Å; L419-T423 WeakPolarHBondContact O-CG2 3.3Å; L419-T423 PolarHBondContact O-N 3.24Å; L419-T423 PolarHBondContact O-OG1 2.85Å
420	G	82.5	Confident	75.2	Confident	23 Å²	23	72 Å²	72	24%	0.237	38%	0.377	C	S	.	.	H	α-helix	trans	-69.5	-31.5	175.8	0	0	0	0	0	113.5	N417 P418 T423 T424	N417-G420 PolarHBondContact O-N 3.29Å; N417-G420 PolarHBondContact OD1-N 3.42Å; P418-G420 VanDerWaalsContact C-N 3.31Å; P418-G420 PolarHBondContact O-N 3.33Å; G420-T423 PolarHBondContact O-OG1 2.74Å; G420-T424 WeakPolarHBondContact O-CB 3.21Å; G420-T424 PolarHBondContact O-N 3.2Å; G420-T424 PolarHBondContact O-OG1 3.07Å
421	C	86.8	Confident	73.3	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-71.4	-49.8	171.5	176.7	0	0	0	0	111	W391 C400 F415 N417 P418 T424 C425	W391-C421 HydrophobicContact CB-CB 4.41Å; C400-C421 HydrophobicContact CB-CB 3.66Å; C400-C421 WeakPolarHBondContact CB-SG 3.17Å; C400-C421 WeakPolarHBondContact SG-CB 3.46Å; C400-C421 CovalentContact SG-SG 2.03Å; C400-C421 PolarHBondContact SG-SG 3.35Å; F415-C421 HydrophobicContact CB-CB 3.76Å; F415-C421 HydrophobicContact CD1-CB 4.18Å; F415-C421 HydrophobicContact CD2-CB 3.58Å; F415-C421 HydrophobicContact CE2-CB 4.19Å; F415-C421 HydrophobicContact CG-CB 3.57Å; N417-C421 PolarHBondContact O-N 3.23Å; P418-C421 CarbonylContact O-C 3.36Å; P418-C421 WeakPolarHBondContact O-CA 3.43Å; P418-C421 WeakPolarHBondContact O-CB 3.24Å; P418-C421 PolarHBondContact O-N 3.2Å; C421-T424 PolarHBondContact O-N 3.45Å; C421-T424 VanDerWaalsContact O-N 3.08Å; C421-C425 WeakPolarHBondContact O-CB 3.4Å; C421-C425 PolarHBondContact O-N 2.85Å
422	E	82.1	Confident	70.9	Confident	81 Å²	81	78.6 Å²	78.6	38%	0.379	43%	0.425	S	S	.	.	H	α-helix	trans	-61.5	-48.3	-179.7	-70.7	169.8	-175	0	0	111.2	C400 P418 T424 C425 S426	C400-E422 HydrophobicContact CB-CG 4.09Å; C400-E422 PolarHBondContact SG-N 3.31Å; P418-E422 WeakPolarHBondContact O-CG 3.42Å; P418-E422 PolarHBondContact O-N 3.04Å; E422-T424 PolarHBondContact O-N 3.11Å; E422-T424 VanDerWaalsContact O-N 3.15Å; E422-C425 PolarHBondContact O-N 2.81Å; E422-S426 WeakPolarHBondContact CA-OG 3.43Å; E422-S426 WeakPolarHBondContact O-CB 3.44Å; E422-S426 PolarHBondContact O-N 3.4Å; E422-S426 PolarHBondContact O-OG 2.85Å
423	T	78.3	Confident	68.4	Low	108 Å²	108	82.2 Å²	82.2	66%	0.663	45%	0.451	S	S	*	.	H	α-helix	trans	-64.9	-18	176.5	51.7	0	0	0	0	113.9	L419 G420	L419-T423 HydrophobicContact CD1-CG2 4.11Å; L419-T423 HydrophobicContact CG-CG2 4.43Å; L419-T423 WeakPolarHBondContact O-CB 3.44Å; L419-T423 VanDerWaalsContact O-CG2 3.3Å; L419-T423 WeakPolarHBondContact O-CG2 3.3Å; L419-T423 PolarHBondContact O-N 3.24Å; L419-T423 PolarHBondContact O-OG1 2.85Å; G420-T423 PolarHBondContact O-OG1 2.74Å
424	T	79.2	Confident	66.1	Low	63 Å²	63	84.4 Å²	84.4	39%	0.387	47%	0.474	S	S	.	.	H	α-helix	trans	-90.9	-33.3	175	-57.9	0	0	0	0	112.7	F415 G420 C421 E422	F415-T424 HydrophobicContact CE1-CG2 3.84Å; F415-T424 HydrophobicContact CZ-CG2 3.99Å; G420-T424 WeakPolarHBondContact O-CB 3.21Å; G420-T424 PolarHBondContact O-N 3.2Å; G420-T424 PolarHBondContact O-OG1 3.07Å; C421-T424 PolarHBondContact O-N 3.45Å; C421-T424 VanDerWaalsContact O-N 3.08Å; E422-T424 PolarHBondContact O-N 3.11Å; E422-T424 VanDerWaalsContact O-N 3.15Å
425	C	81.7	Confident	64.1	Low	15 Å²	15	88.7 Å²	88.7	10%	0.101	49%	0.491	C	S	.	.	H	α-helix	trans	-117	-10.4	-167.3	-58.7	0	0	0	0	115.4	C375 Y393 C421 E422 D427	C375-C425 HydrophobicContact CB-CB 3.86Å; C375-C425 WeakPolarHBondContact CB-SG 3.22Å; C375-C425 VanDerWaalsContact SG-CA 3.57Å; C375-C425 WeakPolarHBondContact SG-CB 3.31Å; C375-C425 CovalentContact SG-SG 2.04Å; C375-C425 PolarHBondContact SG-SG 2.95Å; Y393-C425 HydrophobicContact CD1-CB 4.36Å; Y393-C425 HydrophobicContact CD2-CB 3.34Å; Y393-C425 HydrophobicContact CE2-CB 3.81Å; Y393-C425 HydrophobicContact CG-CB 3.65Å; C421-C425 WeakPolarHBondContact O-CB 3.4Å; C421-C425 PolarHBondContact O-N 2.85Å; E422-C425 PolarHBondContact O-N 2.81Å; C425-D427 PolarHBondContact O-N 3.08Å
426	S	62	Low	62.4	Low	54 Å²	54	90.8 Å²	90.8	38%	0.378	51%	0.513	S	S	.	.			trans	-86.8	18.5	-171.5	-62.2	0	0	0	0	116.2	E422 N428	E422-S426 WeakPolarHBondContact CA-OG 3.43Å; E422-S426 WeakPolarHBondContact O-CB 3.44Å; E422-S426 PolarHBondContact O-N 3.4Å; E422-S426 PolarHBondContact O-OG 2.85Å; S426-N428 PolarHBondContact O-N 3.35Å; S426-N428 VanDerWaalsContact O-N 3.1Å
427	D	50.2	Low	61.6	Low	159 Å²	159	87.9 Å²	87.9	85%	0.85	50%	0.497	S	S	*	.			trans	-73.8	101.3	174.5	-102.1	-22.8	0	0	0	111.1	C425 E429	C425-D427 PolarHBondContact O-N 3.08Å; D427-E429 VanDerWaalsContact C-N 3.31Å; D427-E429 PolarHBondContact O-N 2.89Å
428	N	40.6	Very low	61.2	Low	144 Å²	144	85 Å²	85	77%	0.77	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-70.3	-1.5	-158.5	-97.8	-41.6	0	0	0	117.8	S426 R430	S426-N428 PolarHBondContact O-N 3.35Å; S426-N428 VanDerWaalsContact O-N 3.1Å; N428-R430 VanDerWaalsContact C-N 3.32Å; N428-R430 PolarHBondContact O-N 3.07Å
429	E	39.4	Very low	60.7	Low	197 Å²	197	88.3 Å²	88.3	92%	0.921	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-80.2	-0	-170.8	-76.2	-158.2	147	0	0	115.8	D427	D427-E429 VanDerWaalsContact C-N 3.31Å; D427-E429 PolarHBondContact O-N 2.89Å
430	R	41.9	Very low	60.3	Low	210 Å²	210	85.8 Å²	85.8	79%	0.792	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-101.3	-12.1	-169.4	-72.6	-170.5	173.8	-172.6	0.4	118	N428	N428-R430 VanDerWaalsContact C-N 3.32Å; N428-R430 PolarHBondContact O-N 3.07Å
431	V	38.5	Very low	60.1	Low	87 Å²	87	89.3 Å²	89.3	53%	0.527	50%	0.503	S	S	.	.			trans	-139	89.6	-174.7	-166.2	0	0	0	0	114.1	Q398	Q398-V431 VanDerWaalsContact NE2-CG1 3.26Å
432	A	33.7	Very low	59.9	Low	71 Å²	71	93 Å²	93	59%	0.587	52%	0.522	S	S	*	.			trans	-83.1	128.7	173	0	0	0	0	0	112.1	G434 K435	A432-G434 PolarHBondContact O-N 2.95Å; A432-K435 PolarHBondContact O-N 3.04Å
433	P	35.2	Very low	60.1	Low	109 Å²	109	90.2 Å²	90.2	71%	0.708	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27	-166.2	-26.4	35.2	0	0	0	117	K435	P433-K435 PolarHBondContact O-N 2.88Å
434	G	41.2	Very low	60.2	Low	48 Å²	48	88.9 Å²	88.9	50%	0.495	51%	0.505	S	S	.	.	H	α-helix	trans	-68.6	-15	-175.1	0	0	0	0	0	115.5	A432	A432-G434 PolarHBondContact O-N 2.95Å
435	K	46.6	Very low	60.1	Low	120 Å²	120	86.7 Å²	86.7	52%	0.522	50%	0.495	S	S	.	.	H	α-helix	trans	-87	-17.8	-174.3	-76	-174.3	173.5	-175.2	0	115.1	A432 P433 N439 G504	A432-K435 PolarHBondContact O-N 3.04Å; P433-K435 PolarHBondContact O-N 2.88Å; K435-N439 PolarHBondContact O-ND2 3.32Å; K435-G504 PolarHBondContact NZ-O 2.69Å
436	A	54.2	Low	59.5	Low	67 Å²	67	90.3 Å²	90.3	55%	0.554	52%	0.517	S	S	*	.	H	α-helix	trans	-76.8	-42.2	-175.1	0	0	0	0	0	112.7	C438 N439	A436-C438 PolarHBondContact O-N 2.86Å; A436-N439 PolarHBondContact O-N 3.37Å; A436-N439 VanDerWaalsContact O-N 3.08Å
437	I	68.1	Low	59.9	Low	63 Å²	63	89.9 Å²	89.9	32%	0.323	52%	0.521	S	S	.	.	H	α-helix	trans	-58.2	-46	-175.8	-65.1	171.2	0	0	0	111.5	N439 L440 Q475 F478	I437-N439 PolarHBondContact O-N 2.83Å; I437-L440 WeakPolarHBondContact O-CG 3.44Å; I437-L440 PolarHBondContact O-N 2.61Å; I437-Q475 HydrophobicContact CG1-CB 4.42Å; I437-Q475 HydrophobicContact CG2-CB 3.81Å; I437-Q475 VanDerWaalsContact CG2-O 3.24Å; I437-Q475 WeakPolarHBondContact CG2-O 3.44Å; I437-F478 HydrophobicContact CG2-CZ 4.23Å
438	C	76.2	Confident	61.2	Low	9 Å²	9	92 Å²	92	6%	0.061	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17	-179.4	-50.9	0	0	0	0	113.7	A436 Y456 C488	A436-C438 PolarHBondContact O-N 2.86Å; C438-Y456 HydrophobicContact CB-CD1 3.69Å; C438-Y456 HydrophobicContact CB-CE1 4.2Å; C438-Y456 HydrophobicContact CB-CG 4.16Å; C438-Y456 WeakPolarHBondContact O-CD1 3.2Å; C438-C488 HydrophobicContact CB-CB 3.9Å; C438-C488 WeakPolarHBondContact CB-SG 3.04Å; C438-C488 WeakPolarHBondContact SG-CA 3Å; C438-C488 WeakPolarHBondContact SG-CB 3.35Å; C438-C488 CovalentContact SG-SG 2.04Å; C438-C488 PolarHBondContact SG-SG 3.38Å
439	N	72.3	Confident	62.2	Low	113 Å²	113	89.8 Å²	89.8	60%	0.604	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	3.4	-178.9	-69.6	-21.6	0	0	0	113.2	K435 A436 I437	K435-N439 PolarHBondContact O-ND2 3.32Å; A436-N439 PolarHBondContact O-N 3.37Å; A436-N439 VanDerWaalsContact O-N 3.08Å; I437-N439 PolarHBondContact O-N 2.83Å
440	L	76.2	Confident	63.8	Low	60 Å²	60	85.2 Å²	85.2	31%	0.314	50%	0.503	S	S	.	.	S	Bend	trans	-72.9	145.9	174.4	-59.3	171.3	0	0	0	110.5	I437 N474 Q475 N476	I437-L440 WeakPolarHBondContact O-CG 3.44Å; I437-L440 PolarHBondContact O-N 2.61Å; L440-N474 HydrophobicContact CD1-CB 4.47Å; L440-Q475 HydrophobicContact CD1-CB 3.78Å; L440-N476 HydrophobicContact CB-CB 4.06Å; L440-N476 PolarHBondContact O-ND2 3.49Å
441	P	78.2	Confident	65.5	Low	98 Å²	98	77.7 Å²	77.7	64%	0.636	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-57.5	160.7	176	-24.1	33.7	0	0	0	113.1	A443 N474	P441-A443 PolarHBondContact O-N 2.96Å; P441-N474 PolarHBondContact O-ND2 3.09Å; P441-N474 PolarHBondContact O-OD1 3.48Å
442	L	82.8	Confident	67.7	Low	76 Å²	76	77.4 Å²	77.4	40%	0.398	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-65.4	124.1	168.2	173.1	60.7	0	0	0	110.4	Y455 F466	L442-Y455 HydrophobicContact CB-CD2 4.25Å; L442-Y455 HydrophobicContact CB-CE2 4.16Å; L442-Y455 HydrophobicContact CD1-CD1 3.79Å; L442-Y455 HydrophobicContact CD1-CD2 4.27Å; L442-Y455 HydrophobicContact CD1-CE1 4.14Å; L442-Y455 HydrophobicContact CD1-CG 3.85Å; L442-Y455 HydrophobicContact CD2-CE1 4.07Å; L442-F466 HydrophobicContact CD1-CB 4.07Å; L442-F466 HydrophobicContact CD1-CD1 3.94Å; L442-F466 HydrophobicContact CD1-CD2 3.61Å; L442-F466 HydrophobicContact CD1-CE1 4.17Å; L442-F466 HydrophobicContact CD1-CE2 3.87Å; L442-F466 HydrophobicContact CD1-CG 3.62Å; L442-F466 HydrophobicContact CD1-CZ 4.13Å
443	A	84.9	Confident	70.5	Confident	23 Å²	23	77 Å²	77	19%	0.19	46%	0.463	C	S	.	.			trans	-118.1	100.2	171.8	0	0	0	0	0	110.4	P441 G445 N474	P441-A443 PolarHBondContact O-N 2.96Å; A443-G445 PolarHBondContact O-N 2.81Å; A443-N474 HydrophobicContact CB-CB 4.15Å
444	T	80.7	Confident	73.1	Confident	80 Å²	80	74.7 Å²	74.7	49%	0.491	44%	0.44	S	S	.	.			trans	-62.5	-22.6	177.3	55.3	0	0	0	0	113	Y468 G469	T444-Y468 CarbonylContact O-C 3.57Å; T444-Y468 WeakPolarHBondContact O-CA 3.34Å; T444-Y468 VanDerWaalsContact O-CD2 3.27Å; T444-Y468 WeakPolarHBondContact O-CD2 3.4Å; T444-G469 PolarHBondContact O-N 3.27Å
445	G	76.8	Confident	75.4	Confident	17 Å²	17	74.5 Å²	74.5	18%	0.175	43%	0.425	C	S	.	.			trans	69.7	-179.4	-174.1	0	0	0	0	0	113.4	A443 M471	A443-G445 PolarHBondContact O-N 2.81Å; G445-M471 CarbonylContact C-O 3.45Å; G445-M471 WeakPolarHBondContact CA-O 3.14Å
446	T	70	Confident	77.2	Confident	91 Å²	91	69.6 Å²	69.6	56%	0.558	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-133.3	152.1	174.6	56.7	0	0	0	0	109.9	G469 M471 Y472	T446-G469 CarbonylContact C-O 3.47Å; T446-M471 PolarHBondContact N-O 2.82Å; T446-M471 CarbonylContact O-C 3.52Å; T446-M471 WeakPolarHBondContact O-CA 3.35Å; T446-M471 VanDerWaalsContact O-CB 3.25Å; T446-M471 WeakPolarHBondContact O-CB 3.26Å; T446-M471 PolarHBondContact O-N 3.05Å; T446-Y472 VanDerWaalsContact OG1-CD2 3.23Å; T446-Y472 WeakPolarHBondContact OG1-CD2 3.47Å
447	G	71.4	Confident	78.3	Confident	46 Å²	46	68.8 Å²	68.8	47%	0.474	39%	0.389	S	S	.	.	S	Bend	trans	149.5	174.9	179.2	0	0	0	0	0	112.3	G469	G447-G469 CarbonylContact C-O 3.4Å; G447-G469 WeakPolarHBondContact CA-O 3.39Å; G447-G469 PolarHBondContact N-O 2.8Å
448	Q	76.4	Confident	78.2	Confident	202 Å²	202	68 Å²	68	94%	0.944	39%	0.392	S	S	*	.	S	Bend	trans	-84.6	-10.1	-172.9	-66.7	-94.9	-47.7	0	0	113.6
449	V	62	Low	77.6	Confident	98 Å²	98	69.8 Å²	69.8	59%	0.594	41%	0.412	S	S	*	.			trans	-122.9	106.6	-171.8	-177.4	0	0	0	0	109.9	T451 G469 G470	V449-T451 HydrophobicContact CG1-CG2 4.26Å; V449-G469 CarbonylContact O-C 3.52Å; V449-G470 PolarHBondContact O-N 3.42Å
450	T	72	Confident	77.3	Confident	102 Å²	102	65.6 Å²	65.6	63%	0.626	39%	0.392	S	S	*	.			trans	-85.1	122.9	175.2	53.2	0	0	0	0	111	Y468	T450-Y468 CarbonylContact C-O 3.51Å; T450-Y468 WeakPolarHBondContact CA-O 3.36Å
451	T	77.4	Confident	76.7	Confident	52 Å²	52	62.8 Å²	62.8	32%	0.319	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.2	172.7	57.2	0	0	0	0	110.5	V449 R453 Y468	V449-T451 HydrophobicContact CG1-CG2 4.26Å; T451-R453 PolarHBondContact O-N 3.3Å; T451-Y468 PolarHBondContact N-O 2.77Å; T451-Y468 PolarHBondContact O-N 3.12Å
452	T	85.4	Confident	76.7	Confident	81 Å²	81	61.1 Å²	61.1	50%	0.497	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.1	172.4	-53.5	0	0	0	0	109.7	P465 F466	T452-P465 HydrophobicContact CG2-CB 4.1Å; T452-F466 WeakPolarHBondContact CA-O 3.47Å
453	R	92.2	Very high	76.8	Confident	62 Å²	62	57.6 Å²	57.6	23%	0.234	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	170.1	176.2	-65.2	-64.2	-175.6	86.6	-0.5	109.1	T451 P465 F466 Y468 N477 F478	T451-R453 PolarHBondContact O-N 3.3Å; R453-P465 CarbonylContact O-C 3.46Å; R453-P465 VanDerWaalsContact O-CA 3.25Å; R453-P465 WeakPolarHBondContact O-CA 3.29Å; R453-F466 HydrophobicContact CB-CD1 3.95Å; R453-F466 HydrophobicContact CB-CE1 3.46Å; R453-F466 VanDerWaalsContact CB-CE1 3.46Å; R453-F466 HydrophobicContact CB-CE2 4.43Å; R453-F466 HydrophobicContact CB-CZ 3.76Å; R453-F466 PolarHBondContact N-O 3.17Å; R453-F466 WeakPolarHBondContact O-CD1 3.15Å; R453-F466 PolarHBondContact O-N 3.41Å; R453-Y468 VanDerWaalsContact CG-CB 3.41Å; R453-Y468 HydrophobicContact CG-CD1 4.05Å; R453-Y468 HydrophobicContact CG-CG 4Å; R453-N477 WeakPolarHBondContact CB-OD1 3.47Å; R453-N477 WeakPolarHBondContact CD-OD1 3.11Å; R453-N477 VanDerWaalsContact CG-OD1 3.24Å; R453-N477 WeakPolarHBondContact CG-OD1 3.27Å; R453-N477 PolarHBondContact NH1-OD1 2.97Å; R453-F478 WeakPolarHBondContact CA-O 3.35Å
454	W	90.4	Very high	76.6	Confident	60 Å²	60	60.4 Å²	60.4	23%	0.227	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.7	178.6	-64.4	80.8	0	0	0	109.7	C463 M464 P465 F478 T480 K481 C484	W454-C463 HydrophobicContact CE3-CB 4.36Å; W454-C463 VanDerWaalsContact CZ3-O 3.31Å; W454-C463 WeakPolarHBondContact CZ3-O 3.28Å; W454-M464 CarbonylContact C-O 3.53Å; W454-M464 WeakPolarHBondContact CA-O 3.44Å; W454-P465 HydrophobicContact CD2-CB 4.18Å; W454-P465 HydrophobicContact CE3-CB 4.13Å; W454-P465 HydrophobicContact CH2-CB 4.02Å; W454-P465 HydrophobicContact CH2-CG 4.07Å; W454-P465 HydrophobicContact CZ2-CB 4.07Å; W454-P465 HydrophobicContact CZ3-CB 4.06Å; W454-P465 HydrophobicContact CZ3-CG 4.06Å; W454-F478 HydrophobicContact CB-CB 4.28Å; W454-F478 PolarHBondContact N-O 2.83Å; W454-F478 WeakPolarHBondContact O-CD2 3.44Å; W454-F478 PolarHBondContact O-N 3.39Å; W454-T480 VanDerWaalsContact CD1-C 3.44Å; W454-K481 HydrophobicContact CD2-CB 3.74Å; W454-K481 HydrophobicContact CD2-CG 4.35Å; W454-K481 HydrophobicContact CE3-CB 3.83Å; W454-K481 HydrophobicContact CE3-CD 4.31Å; W454-K481 HydrophobicContact CE3-CG 3.93Å; W454-K481 HydrophobicContact CG-CB 4.34Å; W454-K481 HydrophobicContact CH2-CB 4.09Å; W454-K481 HydrophobicContact CH2-CD 3.82Å; W454-K481 HydrophobicContact CH2-CG 4.26Å; W454-K481 HydrophobicContact CZ2-CB 3.99Å; W454-K481 HydrophobicContact CZ2-CD 4.47Å; W454-K481 HydrophobicContact CZ3-CB 4Å; W454-K481 HydrophobicContact CZ3-CD 3.72Å; W454-K481 HydrophobicContact CZ3-CG 3.87Å; W454-C484 HydrophobicContact CB-CB 4.28Å
455	Y	90.2	Very high	77.1	Confident	45 Å²	45	59.9 Å²	59.9	18%	0.176	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.8	170.4	79.8	-76.5	0	0	0	109.2	L442 D457 C463 M464 F466 N476	L442-Y455 HydrophobicContact CB-CD2 4.25Å; L442-Y455 HydrophobicContact CB-CE2 4.16Å; L442-Y455 HydrophobicContact CD1-CD1 3.79Å; L442-Y455 HydrophobicContact CD1-CD2 4.27Å; L442-Y455 HydrophobicContact CD1-CE1 4.14Å; L442-Y455 HydrophobicContact CD1-CG 3.85Å; L442-Y455 HydrophobicContact CD2-CE1 4.07Å; Y455-D457 HydrophobicContact CD2-CB 4.46Å; Y455-D457 HydrophobicContact CE2-CB 3.73Å; Y455-D457 PolarHBondContact O-N 3.09Å; Y455-C463 CarbonylContact O-C 3.55Å; Y455-C463 WeakPolarHBondContact O-CA 3.33Å; Y455-M464 HydrophobicContact CD1-CB 4.1Å; Y455-M464 VanDerWaalsContact CD1-O 3.29Å; Y455-M464 WeakPolarHBondContact CD1-O 3.36Å; Y455-M464 HydrophobicContact CE1-CB 3.61Å; Y455-M464 PolarHBondContact N-O 3.06Å; Y455-M464 PolarHBondContact O-N 2.03Å; Y455-F466 HydrophobicContact CD1-CB 4.18Å; Y455-F466 AromaticContact CD1-CD1 3.76Å; Y455-F466 HydrophobicContact CD1-CD1 3.76Å; Y455-F466 HydrophobicContact CD1-CE1 4.48Å; Y455-F466 HydrophobicContact CD1-CG 4.26Å; Y455-F466 HydrophobicContact CE1-CB 4.42Å; Y455-F466 HydrophobicContact CG-CD1 4.32Å; Y455-N476 WeakPolarHBondContact CB-O 3.16Å
456	Y	82.8	Confident	77.5	Confident	17 Å²	17	59.8 Å²	59.8	7%	0.067	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.6	170.6	-179.3	-95.8	0	0	0	108.6	C438 A458 N476 C488 L489 T490	C438-Y456 HydrophobicContact CB-CD1 3.69Å; C438-Y456 HydrophobicContact CB-CE1 4.2Å; C438-Y456 HydrophobicContact CB-CG 4.16Å; C438-Y456 WeakPolarHBondContact O-CD1 3.2Å; Y456-A458 HydrophobicContact CD1-CB 4.39Å; Y456-A458 HydrophobicContact CE1-CB 4.08Å; Y456-A458 PolarHBondContact O-N 2.82Å; Y456-N476 PolarHBondContact N-OD1 3.34Å; Y456-N476 PolarHBondContact O-ND2 2.97Å; Y456-C488 HydrophobicContact CD1-CB 4.24Å; Y456-C488 HydrophobicContact CD2-CB 3.3Å; Y456-C488 HydrophobicContact CE2-CB 3.84Å; Y456-C488 HydrophobicContact CG-CB 3.51Å; Y456-L489 PolarHBondContact OH-O 3.36Å; Y456-T490 HydrophobicContact CD2-CG2 4.3Å; Y456-T490 HydrophobicContact CE2-CG2 4.17Å
457	D	78.4	Confident	78.2	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.262	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	106.8	170.2	169.5	37.1	0	0	0	109.1	Y455 G459 S460 G461 Q462 M464	Y455-D457 HydrophobicContact CD2-CB 4.46Å; Y455-D457 HydrophobicContact CE2-CB 3.73Å; Y455-D457 PolarHBondContact O-N 3.09Å; D457-G459 PolarHBondContact O-N 3.45Å; D457-G459 VanDerWaalsContact O-N 3.14Å; D457-G459 PolarHBondContact OD1-N 2.12Å; D457-S460 WeakPolarHBondContact CB-OG 3.38Å; D457-S460 PolarHBondContact O-N 3.3Å; D457-S460 WeakPolarHBondContact OD2-CB 3.24Å; D457-S460 PolarHBondContact OD2-N 2.75Å; D457-S460 PolarHBondContact OD2-OG 3.27Å; D457-G461 WeakPolarHBondContact O-CA 3.35Å; D457-G461 PolarHBondContact O-N 2.81Å; D457-Q462 PolarHBondContact N-O 3.02Å; D457-M464 HydrophobicContact CB-CG 4.26Å
458	A	66.2	Low	79	Confident	46 Å²	46	59.5 Å²	59.5	38%	0.38	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18	176.4	0	0	0	0	0	113.3	Y456	Y456-A458 HydrophobicContact CD1-CB 4.39Å; Y456-A458 HydrophobicContact CE1-CB 4.08Å; Y456-A458 PolarHBondContact O-N 2.82Å
459	G	62.9	Low	79	Confident	47 Å²	47	50.3 Å²	50.3	49%	0.485	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-58.2	171.5	0	0	0	0	0	112.2	D457 A499	D457-G459 PolarHBondContact O-N 3.45Å; D457-G459 VanDerWaalsContact O-N 3.14Å; D457-G459 PolarHBondContact OD1-N 2.12Å; G459-A499 WeakPolarHBondContact O-CB 3.02Å
460	S	65.3	Low	79.4	Confident	26 Å²	26	47.4 Å²	47.4	18%	0.182	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-20.2	-178.9	58.4	0	0	0	0	115.1	D457 Q462 F491	D457-S460 WeakPolarHBondContact CB-OG 3.38Å; D457-S460 PolarHBondContact O-N 3.3Å; D457-S460 WeakPolarHBondContact OD2-CB 3.24Å; D457-S460 PolarHBondContact OD2-N 2.75Å; D457-S460 PolarHBondContact OD2-OG 3.27Å; S460-Q462 VanDerWaalsContact C-N 3.25Å; S460-Q462 PolarHBondContact OG-N 2.96Å; S460-F491 WeakPolarHBondContact O-CZ 3.23Å
461	G	65	Low	79.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	26.2	-171.7	0	0	0	0	0	113.5	D457 T490	D457-G461 WeakPolarHBondContact O-CA 3.35Å; D457-G461 PolarHBondContact O-N 2.81Å; G461-T490 WeakPolarHBondContact O-CA 3.32Å
462	Q	77.8	Confident	79.2	Confident	63 Å²	63	54.6 Å²	54.6	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.3	-176.1	-70.7	-82.6	-47.3	0	0	110.2	D457 S460 F491	D457-Q462 PolarHBondContact N-O 3.02Å; S460-Q462 VanDerWaalsContact C-N 3.25Å; S460-Q462 PolarHBondContact OG-N 2.96Å; Q462-F491 PolarHBondContact NE2-O 3.29Å
463	C	84.8	Confident	78.6	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116	171	-70	0	0	0	0	109.3	W454 Y455 K481 C484 E485	W454-C463 HydrophobicContact CE3-CB 4.36Å; W454-C463 VanDerWaalsContact CZ3-O 3.31Å; W454-C463 WeakPolarHBondContact CZ3-O 3.28Å; Y455-C463 CarbonylContact O-C 3.55Å; Y455-C463 WeakPolarHBondContact O-CA 3.33Å; C463-K481 HydrophobicContact CB-CG 4.3Å; C463-C484 HydrophobicContact CB-CB 3.67Å; C463-C484 WeakPolarHBondContact CB-SG 3.44Å; C463-C484 WeakPolarHBondContact SG-CB 3.46Å; C463-C484 CovalentContact SG-SG 2.03Å; C463-C484 PolarHBondContact SG-SG 3.22Å; C463-E485 HydrophobicContact CB-CG 4.29Å; C463-E485 PolarHBondContact SG-N 3.19Å
464	M	80.9	Confident	78.1	Confident	82 Å²	82	51.6 Å²	51.6	40%	0.404	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.2	-173.7	-66.9	-64.2	-72.7	0	0	110.9	W454 Y455 D457	W454-M464 CarbonylContact C-O 3.53Å; W454-M464 WeakPolarHBondContact CA-O 3.44Å; Y455-M464 HydrophobicContact CD1-CB 4.1Å; Y455-M464 VanDerWaalsContact CD1-O 3.29Å; Y455-M464 WeakPolarHBondContact CD1-O 3.36Å; Y455-M464 HydrophobicContact CE1-CB 3.61Å; Y455-M464 PolarHBondContact N-O 3.06Å; Y455-M464 PolarHBondContact O-N 2.03Å; D457-M464 HydrophobicContact CB-CG 4.26Å
465	P	90.2	Very high	77.7	Confident	68 Å²	68	55 Å²	55	44%	0.442	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	143.6	177.9	32.3	-32.1	0	0	0	111.4	T452 R453 W454	T452-P465 HydrophobicContact CG2-CB 4.1Å; R453-P465 CarbonylContact O-C 3.46Å; R453-P465 VanDerWaalsContact O-CA 3.25Å; R453-P465 WeakPolarHBondContact O-CA 3.29Å; W454-P465 HydrophobicContact CD2-CB 4.18Å; W454-P465 HydrophobicContact CE3-CB 4.13Å; W454-P465 HydrophobicContact CH2-CB 4.02Å; W454-P465 HydrophobicContact CH2-CG 4.07Å; W454-P465 HydrophobicContact CZ2-CB 4.07Å; W454-P465 HydrophobicContact CZ3-CB 4.06Å; W454-P465 HydrophobicContact CZ3-CG 4.06Å
466	F	86.3	Confident	77.6	Confident	16 Å²	16	53 Å²	53	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.3	174.4	77.8	-80.3	0	0	0	111.7	L442 T452 R453 Y455 Y468 N477	L442-F466 HydrophobicContact CD1-CB 4.07Å; L442-F466 HydrophobicContact CD1-CD1 3.94Å; L442-F466 HydrophobicContact CD1-CD2 3.61Å; L442-F466 HydrophobicContact CD1-CE1 4.17Å; L442-F466 HydrophobicContact CD1-CE2 3.87Å; L442-F466 HydrophobicContact CD1-CG 3.62Å; L442-F466 HydrophobicContact CD1-CZ 4.13Å; T452-F466 WeakPolarHBondContact CA-O 3.47Å; R453-F466 HydrophobicContact CB-CD1 3.95Å; R453-F466 HydrophobicContact CB-CE1 3.46Å; R453-F466 VanDerWaalsContact CB-CE1 3.46Å; R453-F466 HydrophobicContact CB-CE2 4.43Å; R453-F466 HydrophobicContact CB-CZ 3.76Å; R453-F466 PolarHBondContact N-O 3.17Å; R453-F466 WeakPolarHBondContact O-CD1 3.15Å; R453-F466 PolarHBondContact O-N 3.41Å; Y455-F466 HydrophobicContact CD1-CB 4.18Å; Y455-F466 AromaticContact CD1-CD1 3.76Å; Y455-F466 HydrophobicContact CD1-CD1 3.76Å; Y455-F466 HydrophobicContact CD1-CE1 4.48Å; Y455-F466 HydrophobicContact CD1-CG 4.26Å; Y455-F466 HydrophobicContact CE1-CB 4.42Å; Y455-F466 HydrophobicContact CG-CD1 4.32Å; F466-Y468 HydrophobicContact CE2-CD2 4.1Å; F466-Y468 HydrophobicContact CE2-CG 4.32Å; F466-Y468 HydrophobicContact CZ-CD2 4.5Å; F466-N477 HydrophobicContact CZ-CB 4.1Å
467	Q	84.7	Confident	77.9	Confident	108 Å²	108	53.5 Å²	53.5	51%	0.505	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	115.3	172.9	-64.6	-64.5	-6.8	0	0	109.9
468	Y	87.3	Confident	78.5	Confident	22 Å²	22	52.1 Å²	52.1	9%	0.086	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.7	177.3	177.9	-121.4	0	0	0	110.8	T444 T450 T451 R453 F466 G470 M471 G473 N477	T444-Y468 CarbonylContact O-C 3.57Å; T444-Y468 WeakPolarHBondContact O-CA 3.34Å; T444-Y468 VanDerWaalsContact O-CD2 3.27Å; T444-Y468 WeakPolarHBondContact O-CD2 3.4Å; T450-Y468 CarbonylContact C-O 3.51Å; T450-Y468 WeakPolarHBondContact CA-O 3.36Å; T451-Y468 PolarHBondContact N-O 2.77Å; T451-Y468 PolarHBondContact O-N 3.12Å; R453-Y468 VanDerWaalsContact CG-CB 3.41Å; R453-Y468 HydrophobicContact CG-CD1 4.05Å; R453-Y468 HydrophobicContact CG-CG 4Å; F466-Y468 HydrophobicContact CE2-CD2 4.1Å; F466-Y468 HydrophobicContact CE2-CG 4.32Å; F466-Y468 HydrophobicContact CZ-CD2 4.5Å; Y468-G470 VanDerWaalsContact CE1-C 3.41Å; Y468-G470 VanDerWaalsContact CE1-CA 3.42Å; Y468-G470 VanDerWaalsContact CE1-O 3.31Å; Y468-G470 WeakPolarHBondContact CE1-O 3.31Å; Y468-G470 PolarHBondContact O-N 2.02Å; Y468-G470 VanDerWaalsContact O-N 3.13Å; Y468-G470 PolarHBondContact OH-O 2.82Å; Y468-M471 VanDerWaalsContact OH-C 3.26Å; Y468-M471 VanDerWaalsContact OH-CA 3.28Å; Y468-M471 WeakPolarHBondContact OH-CA 3.35Å; Y468-M471 PolarHBondContact OH-N 2.9Å; Y468-G473 VanDerWaalsContact CE2-CA 3.46Å; Y468-G473 PolarHBondContact OH-N 3.17Å; Y468-N477 VanDerWaalsContact CD2-ND2 3.33Å; Y468-N477 WeakPolarHBondContact CD2-ND2 3.37Å; Y468-N477 WeakPolarHBondContact CE2-ND2 3.28Å
469	G	76.1	Confident	79.3	Confident	10 Å²	10	55.6 Å²	55.6	10%	0.103	30%	0.302	C	S	.	.			trans	-72.3	4.4	-176.8	0	0	0	0	0	116.1	T444 T446 G447 V449 M471	T444-G469 PolarHBondContact O-N 3.27Å; T446-G469 CarbonylContact C-O 3.47Å; G447-G469 CarbonylContact C-O 3.4Å; G447-G469 WeakPolarHBondContact CA-O 3.39Å; G447-G469 PolarHBondContact N-O 2.8Å; V449-G469 CarbonylContact O-C 3.52Å; G469-M471 PolarHBondContact O-N 2.97Å
470	G	71.2	Confident	80.6	Confident	36 Å²	36	55.6 Å²	55.6	37%	0.371	29%	0.292	S	S	.	.	S	Bend	trans	96.2	-33.8	174.4	0	0	0	0	0	114.9	V449 Y468	V449-G470 PolarHBondContact O-N 3.42Å; Y468-G470 VanDerWaalsContact CE1-C 3.41Å; Y468-G470 VanDerWaalsContact CE1-CA 3.42Å; Y468-G470 VanDerWaalsContact CE1-O 3.31Å; Y468-G470 WeakPolarHBondContact CE1-O 3.31Å; Y468-G470 PolarHBondContact O-N 2.02Å; Y468-G470 VanDerWaalsContact O-N 3.13Å; Y468-G470 PolarHBondContact OH-O 2.82Å
471	M	76	Confident	81.4	Confident	118 Å²	118	57.5 Å²	57.5	58%	0.581	30%	0.297	S	S	*	.	B	Isolated β-bridge	trans	-127.5	161.1	177.6	-46.4	178.3	175.8	0	0	111.6	G445 T446 Y468 G469 G473	G445-M471 CarbonylContact C-O 3.45Å; G445-M471 WeakPolarHBondContact CA-O 3.14Å; T446-M471 PolarHBondContact N-O 2.82Å; T446-M471 CarbonylContact O-C 3.52Å; T446-M471 WeakPolarHBondContact O-CA 3.35Å; T446-M471 VanDerWaalsContact O-CB 3.25Å; T446-M471 WeakPolarHBondContact O-CB 3.26Å; T446-M471 PolarHBondContact O-N 3.05Å; Y468-M471 VanDerWaalsContact OH-C 3.26Å; Y468-M471 VanDerWaalsContact OH-CA 3.28Å; Y468-M471 WeakPolarHBondContact OH-CA 3.35Å; Y468-M471 PolarHBondContact OH-N 2.9Å; G469-M471 PolarHBondContact O-N 2.97Å; M471-G473 VanDerWaalsContact C-N 3.33Å; M471-G473 PolarHBondContact O-N 2.93Å
472	Y	69.4	Low	82	Confident	188 Å²	188	62.6 Å²	62.6	74%	0.737	32%	0.321	S	S	*	.	S	Bend	trans	59.6	30.6	175.4	-48.7	-78.3	0	0	0	116.6	T446	T446-Y472 VanDerWaalsContact OG1-CD2 3.23Å; T446-Y472 WeakPolarHBondContact OG1-CD2 3.47Å
473	G	71.8	Confident	82	Confident	31 Å²	31	61.8 Å²	61.8	32%	0.32	32%	0.319	S	S	.	.			trans	-78.7	166.4	162.9	0	0	0	0	0	111.8	Y468 M471	Y468-G473 VanDerWaalsContact CE2-CA 3.46Å; Y468-G473 PolarHBondContact OH-N 3.17Å; M471-G473 VanDerWaalsContact C-N 3.33Å; M471-G473 PolarHBondContact O-N 2.93Å
474	N	82.9	Confident	81.9	Confident	49 Å²	49	61.7 Å²	61.7	26%	0.262	32%	0.318	S	S	.	.			trans	-107	-172.8	168.4	68.4	22.7	0	0	0	110.6	L440 P441 A443 N476 N477	L440-N474 HydrophobicContact CD1-CB 4.47Å; P441-N474 PolarHBondContact O-ND2 3.09Å; P441-N474 PolarHBondContact O-OD1 3.48Å; A443-N474 HydrophobicContact CB-CB 4.15Å; N474-N476 VanDerWaalsContact C-N 3.29Å; N474-N476 PolarHBondContact O-N 2.92Å; N474-N476 PolarHBondContact OD1-N 2.84Å; N474-N476 VanDerWaalsContact OD1-N 3.12Å; N474-N477 WeakPolarHBondContact O-CB 3.2Å
475	Q	82.1	Confident	81.8	Confident	131 Å²	131	60.7 Å²	60.7	61%	0.612	31%	0.312	S	S	*	.	S	Bend	trans	-76.9	-10.1	-172.4	-61	164.9	-23.6	0	0	113.9	I437 L440 N477	I437-Q475 HydrophobicContact CG1-CB 4.42Å; I437-Q475 HydrophobicContact CG2-CB 3.81Å; I437-Q475 VanDerWaalsContact CG2-O 3.24Å; I437-Q475 WeakPolarHBondContact CG2-O 3.44Å; L440-Q475 HydrophobicContact CD1-CB 3.78Å; Q475-N477 PolarHBondContact O-N 3Å
476	N	87.2	Confident	81	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	32%	0.322	C	S	.	.	S	Bend	trans	-80.9	57.9	170	-164	5.3	0	0	0	109.7	L440 Y455 Y456 N474	L440-N476 HydrophobicContact CB-CB 4.06Å; L440-N476 PolarHBondContact O-ND2 3.49Å; Y455-N476 WeakPolarHBondContact CB-O 3.16Å; Y456-N476 PolarHBondContact N-OD1 3.34Å; Y456-N476 PolarHBondContact O-ND2 2.97Å; N474-N476 VanDerWaalsContact C-N 3.29Å; N474-N476 PolarHBondContact O-N 2.92Å; N474-N476 PolarHBondContact OD1-N 2.84Å; N474-N476 VanDerWaalsContact OD1-N 3.12Å
477	N	89.8	Confident	80.3	Confident	27 Å²	27	69.7 Å²	69.7	14%	0.144	35%	0.345	C	S	.	.			trans	-151.3	94.6	-169.9	-177.2	-21.4	0	0	0	109.3	R453 F466 Y468 N474 Q475	R453-N477 WeakPolarHBondContact CB-OD1 3.47Å; R453-N477 WeakPolarHBondContact CD-OD1 3.11Å; R453-N477 VanDerWaalsContact CG-OD1 3.24Å; R453-N477 WeakPolarHBondContact CG-OD1 3.27Å; R453-N477 PolarHBondContact NH1-OD1 2.97Å; F466-N477 HydrophobicContact CZ-CB 4.1Å; Y468-N477 VanDerWaalsContact CD2-ND2 3.33Å; Y468-N477 WeakPolarHBondContact CD2-ND2 3.37Å; Y468-N477 WeakPolarHBondContact CE2-ND2 3.28Å; N474-N477 WeakPolarHBondContact O-CB 3.2Å; Q475-N477 PolarHBondContact O-N 3Å
478	F	89.8	Confident	79.9	Confident	20 Å²	20	64.7 Å²	64.7	9%	0.088	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-104.6	148.9	-177.1	-54.4	-83.6	0	0	0	110.4	I437 R453 W454 D483 C484 N487	I437-F478 HydrophobicContact CG2-CZ 4.23Å; R453-F478 WeakPolarHBondContact CA-O 3.35Å; W454-F478 HydrophobicContact CB-CB 4.28Å; W454-F478 PolarHBondContact N-O 2.83Å; W454-F478 WeakPolarHBondContact O-CD2 3.44Å; W454-F478 PolarHBondContact O-N 3.39Å; F478-D483 HydrophobicContact CB-CB 4.47Å; F478-C484 HydrophobicContact CB-CB 3.81Å; F478-C484 HydrophobicContact CD1-CB 4.38Å; F478-C484 HydrophobicContact CD2-CB 3.48Å; F478-C484 VanDerWaalsContact CD2-CB 3.48Å; F478-C484 HydrophobicContact CE2-CB 4.15Å; F478-C484 HydrophobicContact CG-CB 3.62Å; F478-N487 HydrophobicContact CE1-CB 3.8Å; F478-N487 HydrophobicContact CZ-CB 4.27Å
479	I	84.1	Confident	79	Confident	120 Å²	120	68.6 Å²	68.6	62%	0.615	34%	0.344	S	S	*	.	S	Bend	trans	-77	-40.8	-178.7	-62.4	173.4	0	0	0	110.6
480	T	89.2	Confident	78.5	Confident	47 Å²	47	70.4 Å²	70.4	29%	0.288	35%	0.353	S	S	.	.	S	Bend	trans	-118.9	160.4	179.1	69.6	0	0	0	0	111.4	W454 E482 D483 C484	W454-T480 VanDerWaalsContact CD1-C 3.44Å; T480-E482 WeakPolarHBondContact CB-OE2 3.39Å; T480-E482 PolarHBondContact O-N 3.08Å; T480-D483 PolarHBondContact O-N 2.86Å; T480-D483 WeakPolarHBondContact OG1-CB 3.41Å; T480-D483 PolarHBondContact OG1-N 3.06Å; T480-D483 PolarHBondContact OG1-OD2 3.48Å; T480-C484 PolarHBondContact O-N 2.86Å
481	K	83.5	Confident	78.2	Confident	65 Å²	65	70.1 Å²	70.1	28%	0.283	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-39.8	171.9	-178	175.4	169.9	-72.7	0	110	W454 C463 D483 C484 E485	W454-K481 HydrophobicContact CD2-CB 3.74Å; W454-K481 HydrophobicContact CD2-CG 4.35Å; W454-K481 HydrophobicContact CE3-CB 3.83Å; W454-K481 HydrophobicContact CE3-CD 4.31Å; W454-K481 HydrophobicContact CE3-CG 3.93Å; W454-K481 HydrophobicContact CG-CB 4.34Å; W454-K481 HydrophobicContact CH2-CB 4.09Å; W454-K481 HydrophobicContact CH2-CD 3.82Å; W454-K481 HydrophobicContact CH2-CG 4.26Å; W454-K481 HydrophobicContact CZ2-CB 3.99Å; W454-K481 HydrophobicContact CZ2-CD 4.47Å; W454-K481 HydrophobicContact CZ3-CB 4Å; W454-K481 HydrophobicContact CZ3-CD 3.72Å; W454-K481 HydrophobicContact CZ3-CG 3.87Å; C463-K481 HydrophobicContact CB-CG 4.3Å; K481-D483 PolarHBondContact O-N 2.67Å; K481-C484 WeakPolarHBondContact O-CB 2.9Å; K481-C484 PolarHBondContact O-N 3.39Å; K481-E485 WeakPolarHBondContact CE-OE1 3.12Å; K481-E485 HydrophobicContact CG-CG 4.39Å; K481-E485 IonicContact NZ-OE1 2.76Å; K481-E485 PolarHBondContact NZ-OE1 2.73Å; K481-E485 IonicContact NZ-OE2 3.63Å; K481-E485 PolarHBondContact NZ-OE2 3.08Å; K481-E485 WeakPolarHBondContact O-CB 3.49Å; K481-E485 WeakPolarHBondContact O-CG 3.11Å; K481-E485 PolarHBondContact O-N 3.31Å
482	E	77	Confident	77.9	Confident	108 Å²	108	68.3 Å²	68.3	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-34.3	-178.6	-64	68.1	-152.4	0	0	112.4	T480 R486	T480-E482 WeakPolarHBondContact CB-OE2 3.39Å; T480-E482 PolarHBondContact O-N 3.08Å; E482-R486 VanDerWaalsContact O-CB 3.22Å; E482-R486 WeakPolarHBondContact O-CB 3.36Å; E482-R486 PolarHBondContact O-N 3.2Å
483	D	77.8	Confident	78.4	Confident	46 Å²	46	60.3 Å²	60.3	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-71.7	-36.5	173	-64.8	-41.9	0	0	0	111.3	F478 T480 K481 R486 N487	F478-D483 HydrophobicContact CB-CB 4.47Å; T480-D483 PolarHBondContact O-N 2.86Å; T480-D483 WeakPolarHBondContact OG1-CB 3.41Å; T480-D483 PolarHBondContact OG1-N 3.06Å; T480-D483 PolarHBondContact OG1-OD2 3.48Å; K481-D483 PolarHBondContact O-N 2.67Å; D483-R486 IonicContact OD1-CZ 3.14Å; D483-R486 VanDerWaalsContact OD1-CZ 3.24Å; D483-R486 IonicContact OD1-NH1 3.29Å; D483-R486 PolarHBondContact OD1-NH1 3.29Å; D483-R486 IonicContact OD1-NH2 2.68Å; D483-R486 PolarHBondContact OD1-NH2 2.77Å; D483-N487 PolarHBondContact O-N 2.86Å; D483-N487 PolarHBondContact O-ND2 3.4Å
484	C	83.5	Confident	78.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-46.7	171.2	177.4	0	0	0	0	111.2	W454 C463 F478 T480 K481 R486 N487 C488	W454-C484 HydrophobicContact CB-CB 4.28Å; C463-C484 HydrophobicContact CB-CB 3.67Å; C463-C484 WeakPolarHBondContact CB-SG 3.44Å; C463-C484 WeakPolarHBondContact SG-CB 3.46Å; C463-C484 CovalentContact SG-SG 2.03Å; C463-C484 PolarHBondContact SG-SG 3.22Å; F478-C484 HydrophobicContact CB-CB 3.81Å; F478-C484 HydrophobicContact CD1-CB 4.38Å; F478-C484 HydrophobicContact CD2-CB 3.48Å; F478-C484 VanDerWaalsContact CD2-CB 3.48Å; F478-C484 HydrophobicContact CE2-CB 4.15Å; F478-C484 HydrophobicContact CG-CB 3.62Å; T480-C484 PolarHBondContact O-N 2.86Å; K481-C484 WeakPolarHBondContact O-CB 2.9Å; K481-C484 PolarHBondContact O-N 3.39Å; C484-R486 VanDerWaalsContact C-N 3.3Å; C484-R486 PolarHBondContact O-N 3.02Å; C484-N487 PolarHBondContact O-N 3.47Å; C484-C488 WeakPolarHBondContact O-CB 3.31Å; C484-C488 PolarHBondContact O-N 2.66Å
485	E	79	Confident	79	Confident	61 Å²	61	56.6 Å²	56.6	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-25.8	178.8	-71.4	179.9	150.7	0	0	113.6	C463 K481 T490	C463-E485 HydrophobicContact CB-CG 4.29Å; C463-E485 PolarHBondContact SG-N 3.19Å; K481-E485 WeakPolarHBondContact CE-OE1 3.12Å; K481-E485 HydrophobicContact CG-CG 4.39Å; K481-E485 IonicContact NZ-OE1 2.76Å; K481-E485 PolarHBondContact NZ-OE1 2.73Å; K481-E485 IonicContact NZ-OE2 3.63Å; K481-E485 PolarHBondContact NZ-OE2 3.08Å; K481-E485 WeakPolarHBondContact O-CB 3.49Å; K481-E485 WeakPolarHBondContact O-CG 3.11Å; K481-E485 PolarHBondContact O-N 3.31Å; E485-T490 HydrophobicContact CG-CG2 3.79Å
486	R	72.3	Confident	78.9	Confident	171 Å²	171	52.3 Å²	52.3	65%	0.645	26%	0.263	S	S	*	.	H	α-helix	trans	-78.7	-32.5	175.2	-164.3	-173.8	-48.1	121.1	18.6	112.7	E482 D483 C484	E482-R486 VanDerWaalsContact O-CB 3.22Å; E482-R486 WeakPolarHBondContact O-CB 3.36Å; E482-R486 PolarHBondContact O-N 3.2Å; D483-R486 IonicContact OD1-CZ 3.14Å; D483-R486 VanDerWaalsContact OD1-CZ 3.24Å; D483-R486 IonicContact OD1-NH1 3.29Å; D483-R486 PolarHBondContact OD1-NH1 3.29Å; D483-R486 IonicContact OD1-NH2 2.68Å; D483-R486 PolarHBondContact OD1-NH2 2.77Å; C484-R486 VanDerWaalsContact C-N 3.3Å; C484-R486 PolarHBondContact O-N 3.02Å
487	N	71.8	Confident	78.1	Confident	102 Å²	102	56.8 Å²	56.8	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-92	-31.9	-178.9	-73	-73.1	0	0	0	112.9	F478 D483 C484	F478-N487 HydrophobicContact CE1-CB 3.8Å; F478-N487 HydrophobicContact CZ-CB 4.27Å; D483-N487 PolarHBondContact O-N 2.86Å; D483-N487 PolarHBondContact O-ND2 3.4Å; C484-N487 PolarHBondContact O-N 3.47Å
488	C	77.1	Confident	77.4	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.027	31%	0.31	C	S	.	.	S	Bend	trans	-118.6	138.9	-175.6	-57.6	0	0	0	0	111.6	C438 Y456 C484 T490	C438-C488 HydrophobicContact CB-CB 3.9Å; C438-C488 WeakPolarHBondContact CB-SG 3.04Å; C438-C488 WeakPolarHBondContact SG-CA 3Å; C438-C488 WeakPolarHBondContact SG-CB 3.35Å; C438-C488 CovalentContact SG-SG 2.04Å; C438-C488 PolarHBondContact SG-SG 3.38Å; Y456-C488 HydrophobicContact CD1-CB 4.24Å; Y456-C488 HydrophobicContact CD2-CB 3.3Å; Y456-C488 HydrophobicContact CE2-CB 3.84Å; Y456-C488 HydrophobicContact CG-CB 3.51Å; C484-C488 WeakPolarHBondContact O-CB 3.31Å; C484-C488 PolarHBondContact O-N 2.66Å; C488-T490 PolarHBondContact O-N 2.88Å
489	L	66.9	Low	76.8	Confident	103 Å²	103	57.7 Å²	57.7	54%	0.539	31%	0.314	S	S	.	.			trans	-74	86.5	-172.9	-70.5	172.7	0	0	0	112.8	Y456	Y456-L489 PolarHBondContact OH-O 3.36Å
490	T	66.7	Low	76.7	Confident	48 Å²	48	52.1 Å²	52.1	29%	0.294	29%	0.286	S	S	.	.			trans	-76.6	144.1	172	54	0	0	0	0	113	Y456 G461 E485 C488	Y456-T490 HydrophobicContact CD2-CG2 4.3Å; Y456-T490 HydrophobicContact CE2-CG2 4.17Å; G461-T490 WeakPolarHBondContact O-CA 3.32Å; E485-T490 HydrophobicContact CG-CG2 3.79Å; C488-T490 PolarHBondContact O-N 2.88Å
491	F	65.6	Low	76.3	Confident	30 Å²	30	51.4 Å²	51.4	13%	0.132	28%	0.28	C	S	.	.			trans	-133.5	161.8	175.8	58.9	-97	0	0	0	111.5	S460 Q462 N493 P500 L502 P507	S460-F491 WeakPolarHBondContact O-CZ 3.23Å; Q462-F491 PolarHBondContact NE2-O 3.29Å; F491-N493 HydrophobicContact CE2-CB 4.33Å; F491-N493 PolarHBondContact O-N 3.01Å; F491-P500 HydrophobicContact CD2-CG 4.08Å; F491-P500 HydrophobicContact CE2-CG 3.34Å; F491-P500 HydrophobicContact CZ-CG 3.86Å; F491-L502 HydrophobicContact CD1-CD2 4.3Å; F491-L502 HydrophobicContact CE1-CD1 4.12Å; F491-L502 HydrophobicContact CE1-CD2 3.52Å; F491-L502 HydrophobicContact CE1-CG 4.44Å; F491-L502 HydrophobicContact CZ-CD1 4.47Å; F491-L502 HydrophobicContact CZ-CD2 3.72Å; F491-P507 HydrophobicContact CB-CG 3.9Å; F491-P507 HydrophobicContact CD1-CG 3.79Å; F491-P507 HydrophobicContact CD2-CG 3.45Å; F491-P507 VanDerWaalsContact CD2-CG 3.45Å; F491-P507 HydrophobicContact CE1-CG 4.2Å; F491-P507 HydrophobicContact CE2-CG 3.95Å; F491-P507 HydrophobicContact CG-CG 3.4Å; F491-P507 HydrophobicContact CZ-CG 4.29Å
492	V	68.5	Low	76	Confident	80 Å²	80	51 Å²	51	49%	0.485	28%	0.281	S	S	.	.			trans	-73.1	106.2	175	-179.5	0	0	0	0	109.2	A494 T531 M576	V492-A494 PolarHBondContact O-N 3.41Å; V492-T531 HydrophobicContact CG1-CG2 4.49Å; V492-M576 HydrophobicContact CG1-SD 3.92Å
493	N	79.2	Confident	75.4	Confident	21 Å²	21	55 Å²	55	11%	0.112	29%	0.291	C	S	.	.			trans	-71.6	117.7	168.6	-173.3	2.4	0	0	0	109	F491 C495 G498 P500 Y577	F491-N493 HydrophobicContact CE2-CB 4.33Å; F491-N493 PolarHBondContact O-N 3.01Å; N493-C495 VanDerWaalsContact OD1-CB 3.28Å; N493-C495 WeakPolarHBondContact OD1-CB 3Å; N493-C495 PolarHBondContact OD1-N 3.42Å; N493-G498 PolarHBondContact ND2-O 3.35Å; N493-P500 WeakPolarHBondContact OD1-CD 3.41Å; N493-Y577 WeakPolarHBondContact O-CE2 3.35Å; N493-Y577 PolarHBondContact O-OH 3.16Å
494	A	81.5	Confident	74.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.314	C	S	.	.			trans	-102.6	-4	176.3	0	0	0	0	0	112.9	V492 H524 T531 M533 M576 Y577	V492-A494 PolarHBondContact O-N 3.41Å; A494-H524 PolarHBondContact O-CE1 2.9Å; A494-H524 PolarHBondContact O-NE2 2.88Å; A494-H524 VanDerWaalsContact O-NE2 3.14Å; A494-T531 HydrophobicContact CB-CG2 4.38Å; A494-M533 HydrophobicContact CB-CE 4.27Å; A494-M533 HydrophobicContact CB-SD 4.19Å; A494-M576 HydrophobicContact CB-CB 4.34Å; A494-M576 HydrophobicContact CB-CG 4.19Å; A494-Y577 WeakPolarHBondContact O-CA 3.3Å; A494-Y577 PolarHBondContact O-N 3.3Å
495	C	85.9	Confident	73.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	33%	0.329	C	S	.	.			trans	-73.6	141.8	-175.6	-56.7	0	0	0	0	112	N493 S497 C535 Y577	N493-C495 VanDerWaalsContact OD1-CB 3.28Å; N493-C495 WeakPolarHBondContact OD1-CB 3Å; N493-C495 PolarHBondContact OD1-N 3.42Å; C495-S497 VanDerWaalsContact C-N 3.27Å; C495-S497 PolarHBondContact O-N 3.35Å; C495-C535 WeakPolarHBondContact CA-SG 3.43Å; C495-C535 HydrophobicContact CB-CB 3.74Å; C495-C535 WeakPolarHBondContact CB-SG 3.02Å; C495-C535 VanDerWaalsContact SG-CA 3.51Å; C495-C535 WeakPolarHBondContact SG-CB 3.45Å; C495-C535 CovalentContact SG-SG 2.03Å; C495-C535 PolarHBondContact SG-SG 3.23Å; C495-Y577 WeakPolarHBondContact O-CD1 2.94Å; C495-Y577 VanDerWaalsContact O-CE1 3.31Å; C495-Y577 WeakPolarHBondContact O-CE1 3.47Å
496	P	80.3	Confident	72.3	Confident	41 Å²	41	63.4 Å²	63.4	27%	0.266	35%	0.348	S	S	.	.	S	Bend	trans	-69.9	-24.9	-179.4	31.1	-37.8	0	0	0	113	W522 L548 G578 N579	P496-W522 HydrophobicContact CG-CZ2 4.24Å; P496-L548 HydrophobicContact CB-CD1 4.19Å; P496-G578 VanDerWaalsContact CD-O 3.3Å; P496-G578 WeakPolarHBondContact CD-O 3.48Å; P496-G578 VanDerWaalsContact CG-O 3.29Å; P496-G578 WeakPolarHBondContact CG-O 3.29Å; P496-N579 HydrophobicContact CB-CB 4.47Å; P496-N579 HydrophobicContact CG-CB 4.2Å
497	S	71.1	Confident	72.4	Confident	97 Å²	97	55.9 Å²	55.9	68%	0.678	32%	0.322	S	S	*	.	S	Bend	trans	-156.5	144.4	173.9	-169	0	0	0	0	109.1	C495	C495-S497 VanDerWaalsContact C-N 3.27Å; C495-S497 PolarHBondContact O-N 3.35Å
498	G	74.2	Confident	72.9	Confident	46 Å²	46	52.9 Å²	52.9	47%	0.474	31%	0.305	S	S	.	.	S	Bend	trans	70.4	-173.8	-171.1	0	0	0	0	0	114	N493	N493-G498 PolarHBondContact ND2-O 3.35Å
499	A	77	Confident	73.3	Confident	20 Å²	20	58.2 Å²	58.2	17%	0.165	33%	0.328	C	S	.	.			trans	-110.3	153.6	179.8	0	0	0	0	0	111.1	G459 P536	G459-A499 WeakPolarHBondContact O-CB 3.02Å; A499-P536 WeakPolarHBondContact O-CD 3.32Å; A499-P536 WeakPolarHBondContact O-CG 3.25Å
500	P	83.1	Confident	74.1	Confident	4 Å²	4	54 Å²	54	3%	0.026	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67.1	153.5	179.1	30	-37	0	0	0	111.9	F491 N493 L502 P507 M533 C534	F491-P500 HydrophobicContact CD2-CG 4.08Å; F491-P500 HydrophobicContact CE2-CG 3.34Å; F491-P500 HydrophobicContact CZ-CG 3.86Å; N493-P500 WeakPolarHBondContact OD1-CD 3.41Å; P500-L502 PolarHBondContact O-N 2.95Å; P500-L502 VanDerWaalsContact O-N 3.15Å; P500-P507 HydrophobicContact CB-CB 4.21Å; P500-P507 HydrophobicContact CG-CB 4.03Å; P500-P507 HydrophobicContact CG-CG 4.05Å; P500-M533 HydrophobicContact CB-CB 4.38Å; P500-M533 HydrophobicContact CB-CG 3.95Å; P500-M533 HydrophobicContact CB-SD 3.49Å; P500-M533 WeakPolarHBondContact CB-SD 3.49Å; P500-M533 HydrophobicContact CG-SD 3.65Å; P500-C534 CarbonylContact C-O 3.47Å; P500-C534 VanDerWaalsContact CA-O 3.23Å; P500-C534 WeakPolarHBondContact CA-O 3.36Å
501	L	80.5	Confident	74.5	Confident	31 Å²	31	54.1 Å²	54.1	16%	0.162	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-56.6	118.2	174.2	179.1	60.3	0	0	0	110.5	Q508 P518 Y521 C534	L501-Q508 HydrophobicContact CB-CB 4.44Å; L501-Q508 HydrophobicContact CD2-CB 4.4Å; L501-Q508 HydrophobicContact CG-CB 4.39Å; L501-Q508 PolarHBondContact O-N 3.35Å; L501-P518 VanDerWaalsContact CD2-CD 3.48Å; L501-P518 HydrophobicContact CD2-CG 3.44Å; L501-P518 VanDerWaalsContact CD2-CG 3.44Å; L501-Y521 HydrophobicContact CB-CD1 3.75Å; L501-Y521 HydrophobicContact CB-CE1 3.62Å; L501-Y521 HydrophobicContact CB-CG 4.35Å; L501-Y521 HydrophobicContact CD1-CE1 4.24Å; L501-Y521 HydrophobicContact CD1-CE2 4.02Å; L501-Y521 HydrophobicContact CG-CE1 4.44Å; L501-C534 HydrophobicContact CB-CB 3.89Å; L501-C534 HydrophobicContact CD2-CB 4.29Å; L501-C534 PolarHBondContact N-O 3.07Å
502	L	77.5	Confident	74.3	Confident	57 Å²	57	56 Å²	56	30%	0.298	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.1	177.6	-57.9	-176.1	0	0	0	111.2	F491 P500 R506 P507	F491-L502 HydrophobicContact CD1-CD2 4.3Å; F491-L502 HydrophobicContact CE1-CD1 4.12Å; F491-L502 HydrophobicContact CE1-CD2 3.52Å; F491-L502 HydrophobicContact CE1-CG 4.44Å; F491-L502 HydrophobicContact CZ-CD1 4.47Å; F491-L502 HydrophobicContact CZ-CD2 3.72Å; P500-L502 PolarHBondContact O-N 2.95Å; P500-L502 VanDerWaalsContact O-N 3.15Å; L502-R506 CarbonylContact C-O 3.45Å; L502-R506 WeakPolarHBondContact CA-O 3.26Å; L502-P507 HydrophobicContact CD2-CB 4.46Å; L502-P507 HydrophobicContact CD2-CG 4Å
503	R	64.3	Low	73.6	Confident	191 Å²	191	57.5 Å²	57.5	72%	0.721	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.4	171.5	-158.3	172.5	-172.1	175.5	1.9	109	G505 R506	R503-G505 PolarHBondContact O-N 3.17Å; R503-R506 PolarHBondContact N-O 2.89Å; R503-R506 PolarHBondContact O-N 2.97Å
504	G	56.1	Low	72.3	Confident	70 Å²	70	61.9 Å²	61.9	72%	0.722	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	14.6	-174.8	0	0	0	0	0	115.3	K435	K435-G504 PolarHBondContact NZ-O 2.69Å
505	G	55.8	Low	71.3	Confident	32 Å²	32	65.3 Å²	65.3	33%	0.33	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	16	-175.6	0	0	0	0	0	114.8	R503	R503-G505 PolarHBondContact O-N 3.17Å
506	R	62.4	Low	70.6	Confident	182 Å²	182	67 Å²	67	69%	0.687	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.8	170	-71.2	-178.7	174.9	167.1	-1.2	110.4	L502 R503 Q508	L502-R506 CarbonylContact C-O 3.45Å; L502-R506 WeakPolarHBondContact CA-O 3.26Å; R503-R506 PolarHBondContact N-O 2.89Å; R503-R506 PolarHBondContact O-N 2.97Å; R506-Q508 PolarHBondContact O-N 3.23Å
507	P	74.1	Confident	70.6	Confident	13 Å²	13	66.2 Å²	66.2	8%	0.084	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	133.8	171.8	-27	35.9	0	0	0	112.2	F491 P500 L502 F509 M533	F491-P507 HydrophobicContact CB-CG 3.9Å; F491-P507 HydrophobicContact CD1-CG 3.79Å; F491-P507 HydrophobicContact CD2-CG 3.45Å; F491-P507 VanDerWaalsContact CD2-CG 3.45Å; F491-P507 HydrophobicContact CE1-CG 4.2Å; F491-P507 HydrophobicContact CE2-CG 3.95Å; F491-P507 HydrophobicContact CG-CG 3.4Å; F491-P507 HydrophobicContact CZ-CG 4.29Å; P500-P507 HydrophobicContact CB-CB 4.21Å; P500-P507 HydrophobicContact CG-CB 4.03Å; P500-P507 HydrophobicContact CG-CG 4.05Å; L502-P507 HydrophobicContact CD2-CB 4.46Å; L502-P507 HydrophobicContact CD2-CG 4Å; P507-F509 HydrophobicContact CB-CE1 4.41Å; P507-F509 PolarHBondContact O-N 2.03Å; P507-F509 VanDerWaalsContact O-N 3.16Å; P507-M533 HydrophobicContact CB-CE 4.42Å; P507-M533 HydrophobicContact CB-SD 4.39Å
508	Q	83.8	Confident	71	Confident	40 Å²	40	64.6 Å²	64.6	19%	0.187	40%	0.4	C	S	.	.			trans	-75.1	100.9	170.3	-179.5	167.3	-36	0	0	108.9	L501 R506 S516 M533 C534	L501-Q508 HydrophobicContact CB-CB 4.44Å; L501-Q508 HydrophobicContact CD2-CB 4.4Å; L501-Q508 HydrophobicContact CG-CB 4.39Å; L501-Q508 PolarHBondContact O-N 3.35Å; R506-Q508 PolarHBondContact O-N 3.23Å; Q508-S516 PolarHBondContact NE2-O 2.84Å; Q508-S516 VanDerWaalsContact NE2-O 3.12Å; Q508-M533 WeakPolarHBondContact O-CA 3.48Å; Q508-C534 PolarHBondContact O-N 3.18Å
509	F	85.6	Confident	70.9	Confident	116 Å²	116	65.6 Å²	65.6	51%	0.509	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-64.6	151.4	168.2	-54.6	-58.7	0	0	0	110.6	P507 M529 T532 M533	P507-F509 HydrophobicContact CB-CE1 4.41Å; P507-F509 PolarHBondContact O-N 2.03Å; P507-F509 VanDerWaalsContact O-N 3.16Å; F509-M529 WeakPolarHBondContact CD1-O 3.33Å; F509-T532 VanDerWaalsContact CA-O 3.28Å; F509-T532 WeakPolarHBondContact CA-O 3.31Å; F509-T532 WeakPolarHBondContact CD1-O 3.24Å; F509-M533 HydrophobicContact CD1-CB 4.3Å; F509-M533 HydrophobicContact CE1-CE 4.2Å
510	C	82	Confident	70.9	Confident	13 Å²	13	66 Å²	66	9%	0.088	41%	0.406	C	S	.	.			trans	-138.1	161.4	-172.2	58.4	0	0	0	0	113.4	S516 C523 T532 M533	C510-S516 WeakPolarHBondContact CA-OG 3.14Å; C510-S516 VanDerWaalsContact CB-OG 3.24Å; C510-S516 WeakPolarHBondContact CB-OG 3.32Å; C510-C523 HydrophobicContact CB-CB 3.83Å; C510-C523 WeakPolarHBondContact CB-SG 3.4Å; C510-C523 WeakPolarHBondContact SG-CA 2.86Å; C510-C523 WeakPolarHBondContact SG-CB 3.5Å; C510-C523 CovalentContact SG-SG 2.03Å; C510-C523 PolarHBondContact SG-SG 3.32Å; C510-T532 PolarHBondContact N-O 3.18Å; C510-T532 WeakPolarHBondContact O-CG2 3.41Å; C510-M533 VanDerWaalsContact SG-CA 3.54Å; C510-M533 PolarHBondContact SG-O 3.24Å
511	S	75.7	Confident	71	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	42%	0.42	S	S	.	.			trans	-98.6	161.4	165.5	-171.5	0	0	0	0	110.3	D513 S516 C523	S511-D513 WeakPolarHBondContact CB-OD2 3.06Å; S511-D513 PolarHBondContact O-N 2.97Å; S511-D513 VanDerWaalsContact O-N 3.14Å; S511-D513 PolarHBondContact OG-OD2 3.44Å; S511-S516 PolarHBondContact N-OG 2.78Å; S511-S516 WeakPolarHBondContact O-CB 3.22Å; S511-C523 PolarHBondContact O-SG 3.13Å
512	S	60.9	Low	71.1	Confident	68 Å²	68	69 Å²	69	48%	0.476	42%	0.415	S	S	.	.	S	Bend	trans	-64.9	-8	172.2	47.2	0	0	0	0	114.3
513	D	54.8	Low	71.5	Confident	112 Å²	112	67.4 Å²	67.4	60%	0.599	41%	0.409	S	S	*	.	S	Bend	trans	-74.4	141.1	-178.8	-52.3	-61.1	0	0	0	112.5	S511 G515 S516	S511-D513 WeakPolarHBondContact CB-OD2 3.06Å; S511-D513 PolarHBondContact O-N 2.97Å; S511-D513 VanDerWaalsContact O-N 3.14Å; S511-D513 PolarHBondContact OG-OD2 3.44Å; D513-G515 PolarHBondContact O-N 3.28Å; D513-S516 PolarHBondContact O-N 3.06Å
514	A	52.3	Low	72.7	Confident	114 Å²	114	58.4 Å²	58.4	94%	0.942	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	121.2	-179.8	0	0	0	0	0	111.1
515	G	59.3	Low	74	Confident	72 Å²	72	56.8 Å²	56.8	74%	0.742	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.7	-3	179.8	0	0	0	0	0	115.5	D513 C517	D513-G515 PolarHBondContact O-N 3.28Å; G515-C517 PolarHBondContact O-N 2.82Å
516	S	71.4	Confident	75.3	Confident	36 Å²	36	55.6 Å²	55.6	25%	0.252	34%	0.337	S	S	.	.	S	Bend	trans	-67.6	-16.4	177.5	-168.5	0	0	0	0	114.7	Q508 C510 S511 D513	Q508-S516 PolarHBondContact NE2-O 2.84Å; Q508-S516 VanDerWaalsContact NE2-O 3.12Å; C510-S516 WeakPolarHBondContact CA-OG 3.14Å; C510-S516 VanDerWaalsContact CB-OG 3.24Å; C510-S516 WeakPolarHBondContact CB-OG 3.32Å; S511-S516 PolarHBondContact N-OG 2.78Å; S511-S516 WeakPolarHBondContact O-CB 3.22Å; D513-S516 PolarHBondContact O-N 3.06Å
517	C	80.7	Confident	76.2	Confident	24 Å²	24	49.3 Å²	49.3	16%	0.162	32%	0.324	C	S	.	.	S	Bend	trans	-125.6	144.2	175.9	-59.6	0	0	0	0	109.9	G515 C534	G515-C517 PolarHBondContact O-N 2.82Å; C517-C534 WeakPolarHBondContact CA-SG 3.39Å; C517-C534 HydrophobicContact CB-CB 3.83Å; C517-C534 WeakPolarHBondContact CB-SG 3.08Å; C517-C534 WeakPolarHBondContact SG-CA 3.03Å; C517-C534 WeakPolarHBondContact SG-CB 3.34Å; C517-C534 CovalentContact SG-SG 2.04Å; C517-C534 PolarHBondContact SG-SG 2.3Å
518	P	79.5	Confident	76.6	Confident	63 Å²	63	52 Å²	52	41%	0.409	34%	0.34	S	S	.	.			trans	-70.3	166.5	174	31.7	-35.2	0	0	0	111.6	L501 Y521	L501-P518 VanDerWaalsContact CD2-CD 3.48Å; L501-P518 HydrophobicContact CD2-CG 3.44Å; L501-P518 VanDerWaalsContact CD2-CG 3.44Å; P518-Y521 HydrophobicContact CG-CD2 4.27Å; P518-Y521 WeakPolarHBondContact O-CB 2.97Å; P518-Y521 PolarHBondContact O-N 3.35Å; P518-Y521 VanDerWaalsContact O-N 3.15Å
519	S	71.9	Confident	76.2	Confident	68 Å²	68	56.9 Å²	56.9	48%	0.476	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	149.8	175.5	30	0	0	0	0	112.7	S612	S519-S612 WeakPolarHBondContact CB-OG 3.03Å; S519-S612 PolarHBondContact OG-OG 3.25Å
520	G	77.2	Confident	75.8	Confident	29 Å²	29	54.8 Å²	54.8	30%	0.299	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-10.5	-164.3	0	0	0	0	0	114.8	G537 E538	G520-G537 PolarHBondContact O-N 2.02Å; G520-E538 VanDerWaalsContact CA-OE2 3.25Å; G520-E538 WeakPolarHBondContact CA-OE2 3.42Å; G520-E538 PolarHBondContact N-OE1 2.67Å; G520-E538 VanDerWaalsContact N-OE1 3.08Å; G520-E538 PolarHBondContact N-OE2 3.42Å
521	Y	85	Confident	75.9	Confident	78 Å²	78	54.7 Å²	54.7	31%	0.306	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.8	-178.7	-66	-98.8	0	0	0	112.6	L501 P518 C534 C535 P536 G537	L501-Y521 HydrophobicContact CB-CD1 3.75Å; L501-Y521 HydrophobicContact CB-CE1 3.62Å; L501-Y521 HydrophobicContact CB-CG 4.35Å; L501-Y521 HydrophobicContact CD1-CE1 4.24Å; L501-Y521 HydrophobicContact CD1-CE2 4.02Å; L501-Y521 HydrophobicContact CG-CE1 4.44Å; P518-Y521 HydrophobicContact CG-CD2 4.27Å; P518-Y521 WeakPolarHBondContact O-CB 2.97Å; P518-Y521 PolarHBondContact O-N 3.35Å; P518-Y521 VanDerWaalsContact O-N 3.15Å; Y521-C534 HydrophobicContact CD1-CB 4.5Å; Y521-C535 CarbonylContact C-O 3.54Å; Y521-C535 VanDerWaalsContact CA-O 3.25Å; Y521-C535 WeakPolarHBondContact CA-O 3.43Å; Y521-C535 WeakPolarHBondContact CB-O 3.4Å; Y521-C535 VanDerWaalsContact CD1-C 3.49Å; Y521-C535 WeakPolarHBondContact CD1-O 3.41Å; Y521-P536 HydrophobicContact CD1-CG 4.44Å; Y521-P536 HydrophobicContact CE1-CB 4.44Å; Y521-P536 HydrophobicContact CE1-CG 4Å; Y521-G537 CarbonylContact C-O 3.3Å
522	W	83.8	Confident	76.4	Confident	18 Å²	18	52.4 Å²	52.4	7%	0.068	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155.7	174.6	70.4	-73.4	0	0	0	110.3	P496 H524 C534 C535 P536 G537 G578 Q580	P496-W522 HydrophobicContact CG-CZ2 4.24Å; W522-H524 HydrophobicContact CH2-CB 3.94Å; W522-H524 AromaticContact CH2-CD2 3.9Å; W522-H524 HydrophobicContact CZ2-CB 4.11Å; W522-H524 HydrophobicContact CZ3-CB 4.24Å; W522-H524 PolarHBondContact O-N 2.87Å; W522-C534 CarbonylContact O-C 3.53Å; W522-C534 WeakPolarHBondContact O-CA 3.33Å; W522-C535 HydrophobicContact CZ2-CB 4.35Å; W522-C535 PolarHBondContact N-O 3.28Å; W522-C535 PolarHBondContact O-N 3Å; W522-P536 VanDerWaalsContact CD1-O 3.27Å; W522-P536 PolarHBondContact NE1-O 3.17Å; W522-P536 VanDerWaalsContact NE1-O 3.11Å; W522-G537 PolarHBondContact N-O 3.16Å; W522-G578 WeakPolarHBondContact CH2-O 3.14Å; W522-Q580 HydrophobicContact CB-CG 4.41Å; W522-Q580 HydrophobicContact CD2-CG 3.54Å; W522-Q580 HydrophobicContact CE3-CB 4.45Å; W522-Q580 HydrophobicContact CE3-CG 3.87Å; W522-Q580 HydrophobicContact CG-CG 3.76Å; W522-Q580 HydrophobicContact CZ2-CG 4.26Å; W522-Q580 HydrophobicContact CZ3-CG 4.34Å
523	C	85.7	Confident	77.7	Confident	25 Å²	25	49.2 Å²	49.2	17%	0.169	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	106.7	178	-174.9	0	0	0	0	110.9	C510 S511 I525	C510-C523 HydrophobicContact CB-CB 3.83Å; C510-C523 WeakPolarHBondContact CB-SG 3.4Å; C510-C523 WeakPolarHBondContact SG-CA 2.86Å; C510-C523 WeakPolarHBondContact SG-CB 3.5Å; C510-C523 CovalentContact SG-SG 2.03Å; C510-C523 PolarHBondContact SG-SG 3.32Å; S511-C523 PolarHBondContact O-SG 3.13Å; C523-I525 HydrophobicContact CB-CD1 4.29Å; C523-I525 PolarHBondContact O-N 2.83Å; C523-I525 WeakPolarHBondContact SG-CD1 3.47Å
524	H	88.6	Confident	79.3	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.7	170.9	168.8	-84	0	0	0	109.5	A494 W522 G526 T531 T532 M533 C535 Y573 G578	A494-H524 PolarHBondContact O-CE1 2.9Å; A494-H524 PolarHBondContact O-NE2 2.88Å; A494-H524 VanDerWaalsContact O-NE2 3.14Å; W522-H524 HydrophobicContact CH2-CB 3.94Å; W522-H524 AromaticContact CH2-CD2 3.9Å; W522-H524 HydrophobicContact CZ2-CB 4.11Å; W522-H524 HydrophobicContact CZ3-CB 4.24Å; W522-H524 PolarHBondContact O-N 2.87Å; H524-G526 PolarHBondContact O-N 3.01Å; H524-T531 PolarHBondContact CE1-O 2.8Å; H524-T531 PolarHBondContact ND1-O 3.29Å; H524-T532 CarbonylContact O-C 3.47Å; H524-T532 WeakPolarHBondContact O-CA 3.49Å; H524-M533 WeakPolarHBondContact CB-O 3.43Å; H524-M533 PolarHBondContact N-O 3.41Å; H524-M533 PolarHBondContact O-N 3.24Å; H524-M533 VanDerWaalsContact O-N 3.12Å; H524-C535 HydrophobicContact CB-CB 4.09Å; H524-C535 WeakPolarHBondContact CB-SG 3.23Å; H524-Y573 PolarHBondContact CE1-OH 2.93Å; H524-Y573 AromaticContact NE2-CZ 3.99Å; H524-Y573 PolarHBondContact NE2-OH 3.04Å; H524-G578 PolarHBondContact CD2-O 2.88Å
525	I	83.7	Confident	80.9	Confident	37 Å²	37	38.5 Å²	38.5	19%	0.19	25%	0.252	C	S	.	.			trans	-94.4	97.3	178.6	-48.4	-49.7	0	0	0	110.4	C523 T532 R558 Y573	C523-I525 HydrophobicContact CB-CD1 4.29Å; C523-I525 PolarHBondContact O-N 2.83Å; C523-I525 WeakPolarHBondContact SG-CD1 3.47Å; I525-T532 HydrophobicContact CD1-CG2 3.96Å; I525-R558 PolarHBondContact O-NH1 3.43Å; I525-R558 VanDerWaalsContact O-NH1 3.08Å; I525-R558 PolarHBondContact O-NH2 2.91Å; I525-Y573 WeakPolarHBondContact O-CE1 3.09Å
526	G	82.5	Confident	82.1	Confident	6 Å²	6	37.1 Å²	37.1	6%	0.062	23%	0.23	C	C	.	.			trans	-80.6	-161.2	-179.9	0	0	0	0	0	114.8	H524 T531 T532 R558 G575	H524-G526 PolarHBondContact O-N 3.01Å; G526-T531 WeakPolarHBondContact CA-OG1 3.22Å; G526-T532 PolarHBondContact N-OG1 3.18Å; G526-R558 PolarHBondContact O-NH2 3.43Å; G526-G575 CarbonylContact C-O 2.97Å; G526-G575 WeakPolarHBondContact CA-O 3.36Å
527	A	81.7	Confident	82.1	Confident	51 Å²	51	36.6 Å²	36.6	42%	0.421	23%	0.23	S	C	.	.	S	Bend	trans	-87.4	-28.7	176.1	0	0	0	0	0	114	T531 A554 I556 G575	A527-T531 PolarHBondContact N-OG1 3.28Å; A527-A554 HydrophobicContact CB-CB 3.56Å; A527-I556 HydrophobicContact CB-CD1 3.86Å; A527-G575 PolarHBondContact N-O 2.78Å; A527-G575 VanDerWaalsContact N-O 3.17Å
528	T	82.6	Confident	81.5	Confident	69 Å²	69	37.4 Å²	37.4	42%	0.423	23%	0.232	S	C	.	.	S	Bend	trans	-127.1	160.4	177	62.4	0	0	0	0	109.8	S530 T531 T532	T528-S530 PolarHBondContact O-N 3.39Å; T528-S530 PolarHBondContact OG1-OG 3.27Å; T528-T531 PolarHBondContact N-OG1 3.26Å; T528-T531 CarbonylContact O-C 3.53Å; T528-T531 WeakPolarHBondContact O-CA 3.42Å; T528-T531 PolarHBondContact O-N 3.32Å; T528-T531 PolarHBondContact O-OG1 2.39Å; T528-T531 PolarHBondContact OG1-N 2.78Å; T528-T531 PolarHBondContact OG1-OG1 3.5Å; T528-T532 PolarHBondContact O-N 3.13Å; T528-T532 PolarHBondContact O-OG1 3.22Å
529	M	75	Confident	80.5	Confident	143 Å²	143	37.8 Å²	37.8	70%	0.704	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-57.1	-31.9	173.3	-67.3	-63.9	98.9	0	0	112.9	F509 T531 T532	F509-M529 WeakPolarHBondContact CD1-O 3.33Å; M529-T531 PolarHBondContact O-N 2.62Å; M529-T532 PolarHBondContact O-N 3.45Å; M529-T532 VanDerWaalsContact O-N 3.13Å
530	S	78.1	Confident	79.9	Confident	72 Å²	72	41.4 Å²	41.4	50%	0.503	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-68.2	-13.1	173.5	54.6	0	0	0	0	114.6	T528 M533	T528-S530 PolarHBondContact O-N 3.39Å; T528-S530 PolarHBondContact OG1-OG 3.27Å; S530-M533 WeakPolarHBondContact O-CE 3.2Å
531	T	83.4	Confident	79.4	Confident	10 Å²	10	43.9 Å²	43.9	6%	0.061	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-107.9	3.2	173	57.6	0	0	0	0	112.9	V492 A494 H524 G526 A527 T528 M529 M576	V492-T531 HydrophobicContact CG1-CG2 4.49Å; A494-T531 HydrophobicContact CB-CG2 4.38Å; H524-T531 PolarHBondContact CE1-O 2.8Å; H524-T531 PolarHBondContact ND1-O 3.29Å; G526-T531 WeakPolarHBondContact CA-OG1 3.22Å; A527-T531 PolarHBondContact N-OG1 3.28Å; T528-T531 PolarHBondContact N-OG1 3.26Å; T528-T531 CarbonylContact O-C 3.53Å; T528-T531 WeakPolarHBondContact O-CA 3.42Å; T528-T531 PolarHBondContact O-N 3.32Å; T528-T531 PolarHBondContact O-OG1 2.39Å; T528-T531 PolarHBondContact OG1-N 2.78Å; T528-T531 PolarHBondContact OG1-OG1 3.5Å; M529-T531 PolarHBondContact O-N 2.62Å; T531-M576 HydrophobicContact CG2-CG 3.77Å; T531-M576 HydrophobicContact CG2-SD 3.95Å
532	T	87.5	Confident	78.9	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.031	23%	0.232	C	C	.	.			trans	-106.3	98.4	-177.7	-64.3	0	0	0	0	110.5	F509 C510 H524 I525 G526 T528 M529	F509-T532 VanDerWaalsContact CA-O 3.28Å; F509-T532 WeakPolarHBondContact CA-O 3.31Å; F509-T532 WeakPolarHBondContact CD1-O 3.24Å; C510-T532 PolarHBondContact N-O 3.18Å; C510-T532 WeakPolarHBondContact O-CG2 3.41Å; H524-T532 CarbonylContact O-C 3.47Å; H524-T532 WeakPolarHBondContact O-CA 3.49Å; I525-T532 HydrophobicContact CD1-CG2 3.96Å; G526-T532 PolarHBondContact N-OG1 3.18Å; T528-T532 PolarHBondContact O-N 3.13Å; T528-T532 PolarHBondContact O-OG1 3.22Å; M529-T532 PolarHBondContact O-N 3.45Å; M529-T532 VanDerWaalsContact O-N 3.13Å
533	M	87.4	Confident	78.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.6	-162.6	61.4	-173	61.9	0	0	113.3	A494 P500 P507 Q508 F509 C510 H524 S530 C535	A494-M533 HydrophobicContact CB-CE 4.27Å; A494-M533 HydrophobicContact CB-SD 4.19Å; P500-M533 HydrophobicContact CB-CB 4.38Å; P500-M533 HydrophobicContact CB-CG 3.95Å; P500-M533 HydrophobicContact CB-SD 3.49Å; P500-M533 WeakPolarHBondContact CB-SD 3.49Å; P500-M533 HydrophobicContact CG-SD 3.65Å; P507-M533 HydrophobicContact CB-CE 4.42Å; P507-M533 HydrophobicContact CB-SD 4.39Å; Q508-M533 WeakPolarHBondContact O-CA 3.48Å; F509-M533 HydrophobicContact CD1-CB 4.3Å; F509-M533 HydrophobicContact CE1-CE 4.2Å; C510-M533 VanDerWaalsContact SG-CA 3.54Å; C510-M533 PolarHBondContact SG-O 3.24Å; H524-M533 WeakPolarHBondContact CB-O 3.43Å; H524-M533 PolarHBondContact N-O 3.41Å; H524-M533 PolarHBondContact O-N 3.24Å; H524-M533 VanDerWaalsContact O-N 3.12Å; S530-M533 WeakPolarHBondContact O-CE 3.2Å; M533-C535 PolarHBondContact O-N 2.93Å
534	C	89.1	Confident	78.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	110.1	176.5	-64.2	0	0	0	0	111	P500 L501 Q508 C517 Y521 W522	P500-C534 CarbonylContact C-O 3.47Å; P500-C534 VanDerWaalsContact CA-O 3.23Å; P500-C534 WeakPolarHBondContact CA-O 3.36Å; L501-C534 HydrophobicContact CB-CB 3.89Å; L501-C534 HydrophobicContact CD2-CB 4.29Å; L501-C534 PolarHBondContact N-O 3.07Å; Q508-C534 PolarHBondContact O-N 3.18Å; C517-C534 WeakPolarHBondContact CA-SG 3.39Å; C517-C534 HydrophobicContact CB-CB 3.83Å; C517-C534 WeakPolarHBondContact CB-SG 3.08Å; C517-C534 WeakPolarHBondContact SG-CA 3.03Å; C517-C534 WeakPolarHBondContact SG-CB 3.34Å; C517-C534 CovalentContact SG-SG 2.04Å; C517-C534 PolarHBondContact SG-SG 2.3Å; Y521-C534 HydrophobicContact CD1-CB 4.5Å; W522-C534 CarbonylContact O-C 3.53Å; W522-C534 WeakPolarHBondContact O-CA 3.33Å
535	C	86.1	Confident	78.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	154.3	178.2	-71.4	0	0	0	0	111.6	C495 Y521 W522 H524 M533	C495-C535 WeakPolarHBondContact CA-SG 3.43Å; C495-C535 HydrophobicContact CB-CB 3.74Å; C495-C535 WeakPolarHBondContact CB-SG 3.02Å; C495-C535 VanDerWaalsContact SG-CA 3.51Å; C495-C535 WeakPolarHBondContact SG-CB 3.45Å; C495-C535 CovalentContact SG-SG 2.03Å; C495-C535 PolarHBondContact SG-SG 3.23Å; Y521-C535 CarbonylContact C-O 3.54Å; Y521-C535 VanDerWaalsContact CA-O 3.25Å; Y521-C535 WeakPolarHBondContact CA-O 3.43Å; Y521-C535 WeakPolarHBondContact CB-O 3.4Å; Y521-C535 VanDerWaalsContact CD1-C 3.49Å; Y521-C535 WeakPolarHBondContact CD1-O 3.41Å; W522-C535 HydrophobicContact CZ2-CB 4.35Å; W522-C535 PolarHBondContact N-O 3.28Å; W522-C535 PolarHBondContact O-N 3Å; H524-C535 HydrophobicContact CB-CB 4.09Å; H524-C535 WeakPolarHBondContact CB-SG 3.23Å; M533-C535 PolarHBondContact O-N 2.93Å
536	P	82.6	Confident	78.2	Confident	44 Å²	44	50 Å²	50	29%	0.286	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	144.1	179.5	-22.4	34.7	0	0	0	112.6	A499 Y521 W522	A499-P536 WeakPolarHBondContact O-CD 3.32Å; A499-P536 WeakPolarHBondContact O-CG 3.25Å; Y521-P536 HydrophobicContact CD1-CG 4.44Å; Y521-P536 HydrophobicContact CE1-CB 4.44Å; Y521-P536 HydrophobicContact CE1-CG 4Å; W522-P536 VanDerWaalsContact CD1-O 3.27Å; W522-P536 PolarHBondContact NE1-O 3.17Å; W522-P536 VanDerWaalsContact NE1-O 3.11Å
537	G	72.6	Confident	78.3	Confident	25 Å²	25	52.5 Å²	52.5	26%	0.258	30%	0.299	S	S	.	.	S	Bend	trans	119.8	154.8	172.7	0	0	0	0	0	114.3	G520 Y521 W522	G520-G537 PolarHBondContact O-N 2.02Å; Y521-G537 CarbonylContact C-O 3.3Å; W522-G537 PolarHBondContact N-O 3.16Å
538	E	67.4	Low	78.5	Confident	41 Å²	41	53.5 Å²	53.5	19%	0.192	30%	0.296	C	S	.	.			trans	-91.1	126.8	-173.1	-128.7	68.1	-157.8	0	0	112.4	G520 R540 L541	G520-E538 VanDerWaalsContact CA-OE2 3.25Å; G520-E538 WeakPolarHBondContact CA-OE2 3.42Å; G520-E538 PolarHBondContact N-OE1 2.67Å; G520-E538 VanDerWaalsContact N-OE1 3.08Å; G520-E538 PolarHBondContact N-OE2 3.42Å; E538-R540 PolarHBondContact O-N 3.17Å; E538-L541 PolarHBondContact O-N 3.41Å; E538-L541 VanDerWaalsContact O-N 3.16Å
539	S	58.6	Low	78.4	Confident	71 Å²	71	53 Å²	53	50%	0.497	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-56.4	-21.3	177.9	-53.8	0	0	0	0	114.5	L541 A542	S539-L541 VanDerWaalsContact C-N 3.29Å; S539-L541 PolarHBondContact O-N 3.47Å; S539-A542 WeakPolarHBondContact O-CB 3.42Å; S539-A542 PolarHBondContact O-N 3.11Å
540	R	59.3	Low	78.6	Confident	143 Å²	143	47.1 Å²	47.1	54%	0.54	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-66.3	-26.9	179.9	-174.6	173.4	-179.7	143.9	9.5	113.4	E538 A542 G613	E538-R540 PolarHBondContact O-N 3.17Å; R540-A542 VanDerWaalsContact C-N 3.33Å; R540-G613 PolarHBondContact NH1-O 3.43Å; R540-G613 VanDerWaalsContact NH1-O 3.12Å
541	L	66.5	Low	78.3	Confident	82 Å²	82	51.1 Å²	51.1	43%	0.429	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-89.2	1.5	-177.9	-65.3	171.9	0	0	0	113.3	E538 S539 C543 D544 M607	E538-L541 PolarHBondContact O-N 3.41Å; E538-L541 VanDerWaalsContact O-N 3.16Å; S539-L541 VanDerWaalsContact C-N 3.29Å; S539-L541 PolarHBondContact O-N 3.47Å; L541-C543 VanDerWaalsContact C-N 3.26Å; L541-C543 PolarHBondContact O-N 2.87Å; L541-C543 VanDerWaalsContact O-N 3.14Å; L541-D544 PolarHBondContact O-N 2.86Å; L541-D544 VanDerWaalsContact O-N 3.16Å; L541-M607 HydrophobicContact CD2-CE 4.02Å
542	A	74.3	Confident	78	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.025	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-50.2	-43	-173.6	0	0	0	0	0	114.1	S539 R540 D544 L545 Q580 N581 F583	S539-A542 WeakPolarHBondContact O-CB 3.42Å; S539-A542 PolarHBondContact O-N 3.11Å; R540-A542 VanDerWaalsContact C-N 3.33Å; A542-D544 VanDerWaalsContact C-N 3.29Å; A542-D544 PolarHBondContact O-N 2.68Å; A542-L545 PolarHBondContact O-N 3.13Å; A542-Q580 HydrophobicContact CB-CB 3.62Å; A542-N581 WeakPolarHBondContact O-CB 3.34Å; A542-N581 VanDerWaalsContact O-CG 3.3Å; A542-F583 HydrophobicContact CB-CZ 4.01Å
543	C	83.8	Confident	77.6	Confident	20 Å²	20	58.9 Å²	58.9	14%	0.135	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-73.1	-17.3	-172.1	-49.2	0	0	0	0	114	L541 F561 C593	L541-C543 VanDerWaalsContact C-N 3.26Å; L541-C543 PolarHBondContact O-N 2.87Å; L541-C543 VanDerWaalsContact O-N 3.14Å; C543-F561 HydrophobicContact CB-CB 4.39Å; C543-F561 HydrophobicContact CB-CD1 3.97Å; C543-F561 HydrophobicContact CB-CG 4.38Å; C543-F561 WeakPolarHBondContact O-CD1 3.42Å; C543-C593 HydrophobicContact CB-CB 3.76Å; C543-C593 WeakPolarHBondContact CB-SG 3.4Å; C543-C593 WeakPolarHBondContact SG-CA 3.44Å; C543-C593 WeakPolarHBondContact SG-CB 3.4Å; C543-C593 CovalentContact SG-SG 2.03Å; C543-C593 PolarHBondContact SG-SG 2.87Å
544	D	79.3	Confident	77.1	Confident	87 Å²	87	60.2 Å²	60.2	47%	0.465	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-91.4	-13.4	-179.1	-74.5	-48.7	0	0	0	113.5	L541 A542 R563	L541-D544 PolarHBondContact O-N 2.86Å; L541-D544 VanDerWaalsContact O-N 3.16Å; A542-D544 VanDerWaalsContact C-N 3.29Å; A542-D544 PolarHBondContact O-N 2.68Å; D544-R563 WeakPolarHBondContact OD1-CD 3.16Å; D544-R563 IonicContact OD1-CZ 2.94Å; D544-R563 IonicContact OD1-NE 3.23Å; D544-R563 IonicContact OD1-NH1 2.7Å; D544-R563 PolarHBondContact OD1-NH1 2.74Å
545	L	81.3	Confident	76.9	Confident	63 Å²	63	64.7 Å²	64.7	33%	0.33	37%	0.374	S	S	.	.	S	Bend	trans	-83	143.9	-174.3	-60.4	171.8	0	0	0	111.9	A542 N579 Q580 N581	A542-L545 PolarHBondContact O-N 3.13Å; L545-N579 HydrophobicContact CD1-CB 4.34Å; L545-Q580 HydrophobicContact CD1-CB 4.09Å; L545-N581 HydrophobicContact CB-CB 4.31Å; L545-N581 PolarHBondContact O-ND2 2.91Å
546	V	83.2	Confident	76.7	Confident	115 Å²	115	66.9 Å²	66.9	70%	0.697	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-65.5	134.2	169.2	-177.5	0	0	0	0	109.2	L548 N579	V546-L548 PolarHBondContact O-N 2.8Å; V546-N579 PolarHBondContact O-ND2 2.81Å
547	H	84.6	Confident	76.8	Confident	58 Å²	58	68.3 Å²	68.3	27%	0.269	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-61	132.5	177.4	66	-85.3	0	0	0	111.3	Y560	H547-Y560 HydrophobicContact CB-CD1 3.96Å; H547-Y560 HydrophobicContact CB-CD2 3.71Å; H547-Y560 HydrophobicContact CB-CE1 4.43Å; H547-Y560 HydrophobicContact CB-CE2 4.22Å; H547-Y560 HydrophobicContact CB-CG 3.56Å; H547-Y560 AromaticContact CE1-CE2 3.89Å; H547-Y560 AromaticContact CE1-CZ 3.54Å; H547-Y560 PolarHBondContact CE1-OH 2.94Å; H547-Y560 AromaticContact CG-CD1 3.95Å; H547-Y560 AromaticContact CG-CD2 3.89Å; H547-Y560 AromaticContact CG-CE1 3.93Å; H547-Y560 AromaticContact CG-CE2 3.88Å; H547-Y560 AromaticContact CG-CG 3.93Å; H547-Y560 AromaticContact CG-CZ 3.9Å; H547-Y560 AromaticContact ND1-CD2 3.6Å; H547-Y560 AromaticContact ND1-CE1 3.74Å; H547-Y560 AromaticContact ND1-CE2 3.16Å; H547-Y560 WeakPolarHBondContact ND1-CE2 2.99Å; H547-Y560 AromaticContact ND1-CZ 3.23Å
548	L	85.7	Confident	77.7	Confident	71 Å²	71	67.7 Å²	67.7	37%	0.372	38%	0.383	S	S	.	.			trans	-107	114.7	173.9	-69.5	-179.9	0	0	0	109.9	P496 V546 G550 F571 N579	P496-L548 HydrophobicContact CB-CD1 4.19Å; V546-L548 PolarHBondContact O-N 2.8Å; L548-G550 PolarHBondContact O-N 2.86Å; L548-G550 VanDerWaalsContact O-N 3.12Å; L548-F571 WeakPolarHBondContact O-CE2 3.41Å; L548-N579 HydrophobicContact CD1-CB 4.13Å
549	P	80.8	Confident	78.8	Confident	59 Å²	59	68.7 Å²	68.7	38%	0.383	39%	0.386	S	S	.	.			trans	-58.6	-20.2	170.6	-24.7	34.8	0	0	0	113.4	Y573 K574	P549-Y573 VanDerWaalsContact O-CD2 3.24Å; P549-Y573 WeakPolarHBondContact O-CD2 3.2Å; P549-K574 WeakPolarHBondContact O-CB 3.02Å; P549-K574 PolarHBondContact O-N 3.15Å
550	G	80	Confident	80.4	Confident	20 Å²	20	66.7 Å²	66.7	21%	0.206	37%	0.367	C	S	.	.			trans	74	-167.1	179.8	0	0	0	0	0	113.7	L548 M576	L548-G550 PolarHBondContact O-N 2.86Å; L548-G550 VanDerWaalsContact O-N 3.12Å; G550-M576 CarbonylContact C-O 3.37Å; G550-M576 WeakPolarHBondContact CA-O 3.35Å
551	F	71.8	Confident	81.7	Confident	156 Å²	156	61.1 Å²	61.1	68%	0.684	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-123.7	162.9	176.1	-127.5	-95.6	0	0	0	110.5	K574 M576 Y577	F551-K574 CarbonylContact O-C 3.55Å; F551-M576 PolarHBondContact N-O 2.76Å; F551-M576 WeakPolarHBondContact O-CB 3.04Å; F551-M576 PolarHBondContact O-N 2.99Å; F551-M576 VanDerWaalsContact O-N 3.07Å; F551-Y577 HydrophobicContact CB-CD2 4.22Å
552	G	75.8	Confident	82.5	Confident	25 Å²	25	58.3 Å²	58.3	26%	0.258	33%	0.332	S	S	.	.	S	Bend	trans	120.1	-178	-177.5	0	0	0	0	0	113.7	K574	G552-K574 CarbonylContact C-O 3.24Å
553	T	79.8	Confident	82.4	Confident	153 Å²	153	66.3 Å²	66.3	94%	0.939	36%	0.362	S	S	*	.	S	Bend	trans	-103	-3.7	-175.4	50.6	0	0	0	0	113.9
554	A	75.8	Confident	81.7	Confident	28 Å²	28	70.5 Å²	70.5	23%	0.231	39%	0.392	C	S	.	.			trans	-76.8	164.1	177.5	0	0	0	0	0	111.4	A527 I556 K574	A527-A554 HydrophobicContact CB-CB 3.56Å; A554-I556 HydrophobicContact CB-CD1 3.99Å; A554-I556 HydrophobicContact CB-CG1 4.03Å; A554-K574 WeakPolarHBondContact CB-O 3.34Å; A554-K574 PolarHBondContact N-O 2.86Å; A554-K574 WeakPolarHBondContact O-CA 3.2Å
555	S	85	Confident	81.7	Confident	94 Å²	94	68.4 Å²	68.4	66%	0.657	38%	0.384	S	S	*	.			trans	-141	82.6	176.5	177.1	0	0	0	0	108.9	I572	S555-I572 WeakPolarHBondContact OG-CG2 3.1Å
556	I	82.1	Confident	81.3	Confident	47 Å²	47	67 Å²	67	24%	0.241	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.2	-169.3	-53.9	169.6	0	0	0	109	A527 A554 R558 Y573	A527-I556 HydrophobicContact CB-CD1 3.86Å; A554-I556 HydrophobicContact CB-CD1 3.99Å; A554-I556 HydrophobicContact CB-CG1 4.03Å; I556-R558 HydrophobicContact CG2-CG 4.21Å; I556-R558 PolarHBondContact O-N 2.87Å; I556-Y573 PolarHBondContact N-O 3.34Å; I556-Y573 WeakPolarHBondContact O-CB 3Å; I556-Y573 PolarHBondContact O-N 2.96Å
557	T	85.9	Confident	81.2	Confident	74 Å²	74	67.3 Å²	67.3	45%	0.454	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.6	173.9	-51.4	0	0	0	0	110.4	Q570	T557-Q570 HydrophobicContact CG2-CB 4.34Å
558	R	90.7	Very high	81.4	Confident	12 Å²	12	65 Å²	65	5%	0.045	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	168.1	-179.8	-65.7	-70.7	-176	79.3	3.5	109.7	I525 G526 I556 Q570 F571 Y573 N582	I525-R558 PolarHBondContact O-NH1 3.43Å; I525-R558 VanDerWaalsContact O-NH1 3.08Å; I525-R558 PolarHBondContact O-NH2 2.91Å; G526-R558 PolarHBondContact O-NH2 3.43Å; I556-R558 HydrophobicContact CG2-CG 4.21Å; I556-R558 PolarHBondContact O-N 2.87Å; R558-Q570 CarbonylContact O-C 3.47Å; R558-Q570 VanDerWaalsContact O-CA 3.23Å; R558-Q570 WeakPolarHBondContact O-CA 3.4Å; R558-F571 HydrophobicContact CB-CD1 4.03Å; R558-F571 HydrophobicContact CB-CE1 3.54Å; R558-F571 HydrophobicContact CB-CZ 3.94Å; R558-F571 PolarHBondContact N-O 3.39Å; R558-F571 WeakPolarHBondContact O-CD1 3.29Å; R558-F571 PolarHBondContact O-N 3.3Å; R558-Y573 HydrophobicContact CG-CD1 4.34Å; R558-Y573 HydrophobicContact CG-CG 4.33Å; R558-N582 VanDerWaalsContact CB-OD1 3.23Å; R558-N582 WeakPolarHBondContact CB-OD1 3.12Å; R558-N582 VanDerWaalsContact CD-OD1 3.22Å; R558-N582 WeakPolarHBondContact CD-OD1 3.21Å; R558-N582 WeakPolarHBondContact CG-OD1 3.44Å; R558-N582 PolarHBondContact NH1-OD1 3.19Å
559	Y	91.5	Very high	81.5	Confident	62 Å²	62	65.9 Å²	65.9	24%	0.243	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.5	179.8	-65.1	-95.5	0	0	0	111.5	K569 Q570 N582 F583 K586	Y559-K569 CarbonylContact C-O 3.52Å; Y559-K569 VanDerWaalsContact CA-O 3.25Å; Y559-K569 WeakPolarHBondContact CA-O 3.31Å; Y559-Q570 HydrophobicContact CD1-CB 3.95Å; Y559-Q570 HydrophobicContact CE1-CB 3.76Å; Y559-N582 CarbonylContact O-C 3.6Å; Y559-N582 WeakPolarHBondContact O-CA 3.44Å; Y559-F583 PolarHBondContact N-O 3.35Å; Y559-F583 WeakPolarHBondContact O-CD2 3.26Å; Y559-F583 PolarHBondContact O-N 3.03Å; Y559-K586 HydrophobicContact CD1-CB 3.84Å; Y559-K586 HydrophobicContact CD1-CG 4.32Å; Y559-K586 HydrophobicContact CE1-CB 3.84Å; Y559-K586 HydrophobicContact CE1-CG 4.46Å; Y559-K586 HydrophobicContact CG-CB 4.29Å
560	Y	90.7	Very high	81.9	Confident	29 Å²	29	69.2 Å²	69.2	11%	0.114	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	148.5	176.6	78.5	-85.7	0	0	0	110.4	H547 D562 C568 K569 F571 N581	H547-Y560 HydrophobicContact CB-CD1 3.96Å; H547-Y560 HydrophobicContact CB-CD2 3.71Å; H547-Y560 HydrophobicContact CB-CE1 4.43Å; H547-Y560 HydrophobicContact CB-CE2 4.22Å; H547-Y560 HydrophobicContact CB-CG 3.56Å; H547-Y560 AromaticContact CE1-CE2 3.89Å; H547-Y560 AromaticContact CE1-CZ 3.54Å; H547-Y560 PolarHBondContact CE1-OH 2.94Å; H547-Y560 AromaticContact CG-CD1 3.95Å; H547-Y560 AromaticContact CG-CD2 3.89Å; H547-Y560 AromaticContact CG-CE1 3.93Å; H547-Y560 AromaticContact CG-CE2 3.88Å; H547-Y560 AromaticContact CG-CG 3.93Å; H547-Y560 AromaticContact CG-CZ 3.9Å; H547-Y560 AromaticContact ND1-CD2 3.6Å; H547-Y560 AromaticContact ND1-CE1 3.74Å; H547-Y560 AromaticContact ND1-CE2 3.16Å; H547-Y560 WeakPolarHBondContact ND1-CE2 2.99Å; H547-Y560 AromaticContact ND1-CZ 3.23Å; Y560-D562 HydrophobicContact CD2-CB 4.3Å; Y560-D562 HydrophobicContact CE2-CB 3.62Å; Y560-C568 CarbonylContact O-C 3.49Å; Y560-C568 VanDerWaalsContact O-CA 3.27Å; Y560-C568 WeakPolarHBondContact O-CA 3.3Å; Y560-K569 HydrophobicContact CD1-CB 4.18Å; Y560-K569 VanDerWaalsContact CD1-O 3.32Å; Y560-K569 WeakPolarHBondContact CD1-O 3.17Å; Y560-K569 HydrophobicContact CE1-CB 3.65Å; Y560-K569 PolarHBondContact N-O 2.98Å; Y560-K569 PolarHBondContact O-N 2.88Å; Y560-F571 HydrophobicContact CD1-CB 4.15Å; Y560-F571 AromaticContact CD1-CD1 3.69Å; Y560-F571 HydrophobicContact CD1-CD1 3.69Å; Y560-F571 HydrophobicContact CD1-CE1 4.4Å; Y560-F571 HydrophobicContact CD1-CG 4.17Å; Y560-F571 HydrophobicContact CE1-CB 4.24Å; Y560-F571 HydrophobicContact CG-CD1 4.39Å; Y560-N581 WeakPolarHBondContact CA-OD1 3.36Å; Y560-N581 WeakPolarHBondContact CB-O 3.27Å; Y560-N581 WeakPolarHBondContact CB-OD1 3.36Å
561	F	86.5	Confident	82.4	Confident	25 Å²	25	69.2 Å²	69.2	11%	0.11	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.5	173	-173.2	-106	0	0	0	109.9	C543 R563 G566 N581 C589 C593 L594	C543-F561 HydrophobicContact CB-CB 4.39Å; C543-F561 HydrophobicContact CB-CD1 3.97Å; C543-F561 HydrophobicContact CB-CG 4.38Å; C543-F561 WeakPolarHBondContact O-CD1 3.42Å; F561-R563 HydrophobicContact CD1-CG 4.13Å; F561-R563 HydrophobicContact CE1-CG 3.95Å; F561-G566 WeakPolarHBondContact CE2-O 3.3Å; F561-N581 PolarHBondContact N-OD1 3.28Å; F561-N581 PolarHBondContact O-ND2 3.35Å; F561-C589 PolarHBondContact N-SG 3.29Å; F561-C593 HydrophobicContact CB-CB 4.18Å; F561-C593 HydrophobicContact CD1-CB 4.23Å; F561-C593 HydrophobicContact CD2-CB 3.67Å; F561-C593 HydrophobicContact CE2-CB 4.06Å; F561-C593 HydrophobicContact CG-CB 3.76Å; F561-C593 HydrophobicContact CZ-CB 4.48Å; F561-L594 HydrophobicContact CE2-CD2 3.79Å; F561-L594 HydrophobicContact CZ-CD2 4.22Å
562	D	84.8	Confident	83.1	Confident	23 Å²	23	66 Å²	66	12%	0.123	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	100.7	175.7	177	6.1	0	0	0	110.2	Y560 S564 S565 G566 H567 K569	Y560-D562 HydrophobicContact CD2-CB 4.3Å; Y560-D562 HydrophobicContact CE2-CB 3.62Å; D562-S564 PolarHBondContact O-N 3.46Å; D562-S564 VanDerWaalsContact O-N 3.09Å; D562-S564 WeakPolarHBondContact OD1-CB 3.37Å; D562-S564 PolarHBondContact OD1-N 2.72Å; D562-S564 PolarHBondContact OD1-OG 2.04Å; D562-S564 PolarHBondContact OD2-OG 3.36Å; D562-S564 VanDerWaalsContact OD2-OG 3.07Å; D562-S565 WeakPolarHBondContact CB-OG 3.18Å; D562-S565 CarbonylContact O-C 3.51Å; D562-S565 PolarHBondContact O-N 3.27Å; D562-S565 PolarHBondContact O-OG 3.48Å; D562-S565 VanDerWaalsContact O-OG 3.09Å; D562-S565 PolarHBondContact OD2-OG 3.01Å; D562-G566 PolarHBondContact O-N 2.73Å; D562-H567 PolarHBondContact N-O 2.76Å; D562-K569 HydrophobicContact CB-CD 3.91Å; D562-K569 HydrophobicContact CB-CG 4.33Å; D562-K569 WeakPolarHBondContact OD2-CD 3.42Å; D562-K569 VanDerWaalsContact OD2-CE 3.24Å; D562-K569 WeakPolarHBondContact OD2-CE 3.41Å; D562-K569 IonicContact OD2-NZ 3.56Å; D562-K569 PolarHBondContact OD2-NZ 3.47Å
563	R	71.9	Confident	83.7	Confident	172 Å²	172	64.8 Å²	64.8	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-30.2	175.9	-80.3	-170.8	62.3	163.9	-5.8	114	D544 F561 S565	D544-R563 WeakPolarHBondContact OD1-CD 3.16Å; D544-R563 IonicContact OD1-CZ 2.94Å; D544-R563 IonicContact OD1-NE 3.23Å; D544-R563 IonicContact OD1-NH1 2.7Å; D544-R563 PolarHBondContact OD1-NH1 2.74Å; F561-R563 HydrophobicContact CD1-CG 4.13Å; F561-R563 HydrophobicContact CE1-CG 3.95Å; R563-S565 VanDerWaalsContact C-N 3.28Å; R563-S565 PolarHBondContact O-N 2.03Å
564	S	69.6	Low	83.9	Confident	108 Å²	108	62 Å²	62	76%	0.755	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.1	179.7	72.8	0	0	0	0	112.9	D562	D562-S564 PolarHBondContact O-N 3.46Å; D562-S564 VanDerWaalsContact O-N 3.09Å; D562-S564 WeakPolarHBondContact OD1-CB 3.37Å; D562-S564 PolarHBondContact OD1-N 2.72Å; D562-S564 PolarHBondContact OD1-OG 2.04Å; D562-S564 PolarHBondContact OD2-OG 3.36Å; D562-S564 VanDerWaalsContact OD2-OG 3.07Å
565	S	77.5	Confident	84.3	Confident	43 Å²	43	60.7 Å²	60.7	30%	0.301	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-15.8	176.5	70.4	0	0	0	0	114.1	D562 R563 H567 K569	D562-S565 WeakPolarHBondContact CB-OG 3.18Å; D562-S565 CarbonylContact O-C 3.51Å; D562-S565 PolarHBondContact O-N 3.27Å; D562-S565 PolarHBondContact O-OG 3.48Å; D562-S565 VanDerWaalsContact O-OG 3.09Å; D562-S565 PolarHBondContact OD2-OG 3.01Å; R563-S565 VanDerWaalsContact C-N 3.28Å; R563-S565 PolarHBondContact O-N 2.03Å; S565-H567 PolarHBondContact O-N 3.45Å; S565-H567 PolarHBondContact O-ND1 3Å; S565-H567 PolarHBondContact OG-N 3.07Å; S565-K569 WeakPolarHBondContact OG-CE 3.48Å
566	G	73.4	Confident	84.4	Confident	34 Å²	34	58.5 Å²	58.5	35%	0.351	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	12.6	-171.9	0	0	0	0	0	114.4	F561 D562	F561-G566 WeakPolarHBondContact CE2-O 3.3Å; D562-G566 PolarHBondContact O-N 2.73Å
567	H	81.4	Confident	84.5	Confident	120 Å²	120	61 Å²	61	56%	0.556	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.9	-172.8	-70.9	81.5	0	0	0	112.2	D562 S565	D562-H567 PolarHBondContact N-O 2.76Å; S565-H567 PolarHBondContact O-N 3.45Å; S565-H567 PolarHBondContact O-ND1 3Å; S565-H567 PolarHBondContact OG-N 3.07Å
568	C	88.5	Confident	84.3	Confident	10 Å²	10	57.5 Å²	57.5	7%	0.068	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.3	173.5	-66.7	0	0	0	0	111.7	Y560 K586 C589 E590	Y560-C568 CarbonylContact O-C 3.49Å; Y560-C568 VanDerWaalsContact O-CA 3.27Å; Y560-C568 WeakPolarHBondContact O-CA 3.3Å; C568-K586 HydrophobicContact CB-CG 4.16Å; C568-C589 HydrophobicContact CB-CB 3.72Å; C568-C589 WeakPolarHBondContact CB-SG 3.29Å; C568-C589 WeakPolarHBondContact SG-CB 3.32Å; C568-C589 CovalentContact SG-SG 2.03Å; C568-C589 PolarHBondContact SG-SG 3.2Å; C568-E590 HydrophobicContact CB-CG 4.08Å; C568-E590 PolarHBondContact SG-N 3.1Å; C568-E590 VanDerWaalsContact SG-N 3.42Å
569	K	88.1	Confident	84.1	Confident	90 Å²	90	57.5 Å²	57.5	39%	0.391	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.7	179.8	-69.4	-178.7	177.4	173.9	0	111	Y559 Y560 D562 S565	Y559-K569 CarbonylContact C-O 3.52Å; Y559-K569 VanDerWaalsContact CA-O 3.25Å; Y559-K569 WeakPolarHBondContact CA-O 3.31Å; Y560-K569 HydrophobicContact CD1-CB 4.18Å; Y560-K569 VanDerWaalsContact CD1-O 3.32Å; Y560-K569 WeakPolarHBondContact CD1-O 3.17Å; Y560-K569 HydrophobicContact CE1-CB 3.65Å; Y560-K569 PolarHBondContact N-O 2.98Å; Y560-K569 PolarHBondContact O-N 2.88Å; D562-K569 HydrophobicContact CB-CD 3.91Å; D562-K569 HydrophobicContact CB-CG 4.33Å; D562-K569 WeakPolarHBondContact OD2-CD 3.42Å; D562-K569 VanDerWaalsContact OD2-CE 3.24Å; D562-K569 WeakPolarHBondContact OD2-CE 3.41Å; D562-K569 IonicContact OD2-NZ 3.56Å; D562-K569 PolarHBondContact OD2-NZ 3.47Å; S565-K569 WeakPolarHBondContact OG-CE 3.48Å
570	Q	89.6	Confident	83.8	Confident	129 Å²	129	55.9 Å²	55.9	60%	0.603	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	153.4	174.2	67.2	178	-7.9	0	0	112.5	T557 R558 Y559	T557-Q570 HydrophobicContact CG2-CB 4.34Å; R558-Q570 CarbonylContact O-C 3.47Å; R558-Q570 VanDerWaalsContact O-CA 3.23Å; R558-Q570 WeakPolarHBondContact O-CA 3.4Å; Y559-Q570 HydrophobicContact CD1-CB 3.95Å; Y559-Q570 HydrophobicContact CE1-CB 3.76Å
571	F	89.8	Confident	83.7	Confident	20 Å²	20	54.5 Å²	54.5	9%	0.088	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166	172.4	76.7	-70.8	0	0	0	111.7	L548 R558 Y560 Y573 N582	L548-F571 WeakPolarHBondContact O-CE2 3.41Å; R558-F571 HydrophobicContact CB-CD1 4.03Å; R558-F571 HydrophobicContact CB-CE1 3.54Å; R558-F571 HydrophobicContact CB-CZ 3.94Å; R558-F571 PolarHBondContact N-O 3.39Å; R558-F571 WeakPolarHBondContact O-CD1 3.29Å; R558-F571 PolarHBondContact O-N 3.3Å; Y560-F571 HydrophobicContact CD1-CB 4.15Å; Y560-F571 AromaticContact CD1-CD1 3.69Å; Y560-F571 HydrophobicContact CD1-CD1 3.69Å; Y560-F571 HydrophobicContact CD1-CE1 4.4Å; Y560-F571 HydrophobicContact CD1-CG 4.17Å; Y560-F571 HydrophobicContact CE1-CB 4.24Å; Y560-F571 HydrophobicContact CG-CD1 4.39Å; F571-Y573 HydrophobicContact CE2-CD2 4.31Å; F571-N582 HydrophobicContact CE1-CB 4.48Å; F571-N582 HydrophobicContact CZ-CB 4.04Å
572	I	86	Confident	83.8	Confident	87 Å²	87	54.1 Å²	54.1	45%	0.446	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.1	173.7	-59.4	-67.4	0	0	0	109.4	S555	S555-I572 WeakPolarHBondContact OG-CG2 3.1Å
573	Y	88.3	Confident	83.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.8	177.6	180	-123.9	0	0	0	111.8	H524 I525 P549 I556 R558 F571 G575 M576 G578 N582	H524-Y573 PolarHBondContact CE1-OH 2.93Å; H524-Y573 AromaticContact NE2-CZ 3.99Å; H524-Y573 PolarHBondContact NE2-OH 3.04Å; I525-Y573 WeakPolarHBondContact O-CE1 3.09Å; P549-Y573 VanDerWaalsContact O-CD2 3.24Å; P549-Y573 WeakPolarHBondContact O-CD2 3.2Å; I556-Y573 PolarHBondContact N-O 3.34Å; I556-Y573 WeakPolarHBondContact O-CB 3Å; I556-Y573 PolarHBondContact O-N 2.96Å; R558-Y573 HydrophobicContact CG-CD1 4.34Å; R558-Y573 HydrophobicContact CG-CG 4.33Å; F571-Y573 HydrophobicContact CE2-CD2 4.31Å; Y573-G575 VanDerWaalsContact CE1-CA 3.44Å; Y573-G575 VanDerWaalsContact OH-C 3.25Å; Y573-G575 PolarHBondContact OH-O 3.31Å; Y573-M576 VanDerWaalsContact OH-CA 3.23Å; Y573-M576 WeakPolarHBondContact OH-CA 3.44Å; Y573-M576 PolarHBondContact OH-N 2.8Å; Y573-M576 VanDerWaalsContact OH-N 3.12Å; Y573-M576 PolarHBondContact OH-O 3.24Å; Y573-G578 PolarHBondContact OH-N 3.34Å; Y573-N582 WeakPolarHBondContact CD2-ND2 3.07Å
574	K	85.1	Confident	84.4	Confident	95 Å²	95	49.5 Å²	49.5	41%	0.413	26%	0.256	S	S	.	.			trans	-87.7	-3.7	-173.6	-67.1	-170.2	178.8	-179.6	0	116	P549 F551 G552 A554	P549-K574 WeakPolarHBondContact O-CB 3.02Å; P549-K574 PolarHBondContact O-N 3.15Å; F551-K574 CarbonylContact O-C 3.55Å; G552-K574 CarbonylContact C-O 3.24Å; A554-K574 WeakPolarHBondContact CB-O 3.34Å; A554-K574 PolarHBondContact N-O 2.86Å; A554-K574 WeakPolarHBondContact O-CA 3.2Å
575	G	83.9	Confident	85.2	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	102.8	-16.5	169.4	0	0	0	0	0	116.5	G526 A527 Y573	G526-G575 CarbonylContact C-O 2.97Å; G526-G575 WeakPolarHBondContact CA-O 3.36Å; A527-G575 PolarHBondContact N-O 2.78Å; A527-G575 VanDerWaalsContact N-O 3.17Å; Y573-G575 VanDerWaalsContact CE1-CA 3.44Å; Y573-G575 VanDerWaalsContact OH-C 3.25Å; Y573-G575 PolarHBondContact OH-O 3.31Å
576	M	87	Confident	85.5	Confident	48 Å²	48	47.6 Å²	47.6	24%	0.236	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-139.1	158.2	174	-60.6	172.8	-76.8	0	0	110.2	V492 A494 T531 G550 F551 Y573 G578	V492-M576 HydrophobicContact CG1-SD 3.92Å; A494-M576 HydrophobicContact CB-CB 4.34Å; A494-M576 HydrophobicContact CB-CG 4.19Å; T531-M576 HydrophobicContact CG2-CG 3.77Å; T531-M576 HydrophobicContact CG2-SD 3.95Å; G550-M576 CarbonylContact C-O 3.37Å; G550-M576 WeakPolarHBondContact CA-O 3.35Å; F551-M576 PolarHBondContact N-O 2.76Å; F551-M576 WeakPolarHBondContact O-CB 3.04Å; F551-M576 PolarHBondContact O-N 2.99Å; F551-M576 VanDerWaalsContact O-N 3.07Å; Y573-M576 VanDerWaalsContact OH-CA 3.23Å; Y573-M576 WeakPolarHBondContact OH-CA 3.44Å; Y573-M576 PolarHBondContact OH-N 2.8Å; Y573-M576 VanDerWaalsContact OH-N 3.12Å; Y573-M576 PolarHBondContact OH-O 3.24Å; M576-G578 VanDerWaalsContact C-N 3.28Å; M576-G578 PolarHBondContact O-N 3.35Å
577	Y	83.3	Confident	85.9	Confident	100 Å²	100	51.1 Å²	51.1	39%	0.392	24%	0.241	S	C	.	.	S	Bend	trans	61.4	28.7	178.3	-59.2	-94.6	0	0	0	114.6	N493 A494 C495 F551	N493-Y577 WeakPolarHBondContact O-CE2 3.35Å; N493-Y577 PolarHBondContact O-OH 3.16Å; A494-Y577 WeakPolarHBondContact O-CA 3.3Å; A494-Y577 PolarHBondContact O-N 3.3Å; C495-Y577 WeakPolarHBondContact O-CD1 2.94Å; C495-Y577 VanDerWaalsContact O-CE1 3.31Å; C495-Y577 WeakPolarHBondContact O-CE1 3.47Å; F551-Y577 HydrophobicContact CB-CD2 4.22Å
578	G	83.5	Confident	86	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.			trans	-84.2	148.4	168	0	0	0	0	0	111.4	P496 W522 H524 Y573 M576	P496-G578 VanDerWaalsContact CD-O 3.3Å; P496-G578 WeakPolarHBondContact CD-O 3.48Å; P496-G578 VanDerWaalsContact CG-O 3.29Å; P496-G578 WeakPolarHBondContact CG-O 3.29Å; W522-G578 WeakPolarHBondContact CH2-O 3.14Å; H524-G578 PolarHBondContact CD2-O 2.88Å; Y573-G578 PolarHBondContact OH-N 3.34Å; M576-G578 VanDerWaalsContact C-N 3.28Å; M576-G578 PolarHBondContact O-N 3.35Å
579	N	86.2	Confident	85.9	Confident	13 Å²	13	48 Å²	48	7%	0.07	23%	0.225	C	C	.	.			trans	-98.8	-176.9	173.2	63.9	6.3	0	0	0	112.3	P496 L545 V546 L548 N581 N582	P496-N579 HydrophobicContact CB-CB 4.47Å; P496-N579 HydrophobicContact CG-CB 4.2Å; L545-N579 HydrophobicContact CD1-CB 4.34Å; V546-N579 PolarHBondContact O-ND2 2.81Å; L548-N579 HydrophobicContact CD1-CB 4.13Å; N579-N581 PolarHBondContact O-N 2.76Å; N579-N582 WeakPolarHBondContact O-CB 3.49Å
580	Q	84.3	Confident	85.5	Confident	27 Å²	27	46.1 Å²	46.1	13%	0.126	22%	0.218	C	C	.	.	S	Bend	trans	-63.6	-20.7	-173.3	-63.6	81.5	-15.7	0	0	113.5	W522 A542 L545 N582	W522-Q580 HydrophobicContact CB-CG 4.41Å; W522-Q580 HydrophobicContact CD2-CG 3.54Å; W522-Q580 HydrophobicContact CE3-CB 4.45Å; W522-Q580 HydrophobicContact CE3-CG 3.87Å; W522-Q580 HydrophobicContact CG-CG 3.76Å; W522-Q580 HydrophobicContact CZ2-CG 4.26Å; W522-Q580 HydrophobicContact CZ3-CG 4.34Å; A542-Q580 HydrophobicContact CB-CB 3.62Å; L545-Q580 HydrophobicContact CD1-CB 4.09Å; Q580-N582 PolarHBondContact O-N 3.44Å
581	N	89.2	Confident	84.8	Confident	1 Å²	1	48 Å²	48	1%	0.005	22%	0.219	C	C	.	.	S	Bend	trans	-79.3	53.9	176.4	-153	-1.4	0	0	0	111.2	A542 L545 Y560 F561 N579 F583	A542-N581 WeakPolarHBondContact O-CB 3.34Å; A542-N581 VanDerWaalsContact O-CG 3.3Å; L545-N581 HydrophobicContact CB-CB 4.31Å; L545-N581 PolarHBondContact O-ND2 2.91Å; Y560-N581 WeakPolarHBondContact CA-OD1 3.36Å; Y560-N581 WeakPolarHBondContact CB-O 3.27Å; Y560-N581 WeakPolarHBondContact CB-OD1 3.36Å; F561-N581 PolarHBondContact N-OD1 3.28Å; F561-N581 PolarHBondContact O-ND2 3.35Å; N579-N581 PolarHBondContact O-N 2.76Å; N581-F583 WeakPolarHBondContact OD1-CE2 3.41Å
582	N	89.1	Confident	83.9	Confident	17 Å²	17	50 Å²	50	9%	0.091	23%	0.234	C	C	.	.			trans	-149.3	79.8	-168.2	-174.6	-19	0	0	0	109.2	R558 Y559 F571 Y573 N579 Q580	R558-N582 VanDerWaalsContact CB-OD1 3.23Å; R558-N582 WeakPolarHBondContact CB-OD1 3.12Å; R558-N582 VanDerWaalsContact CD-OD1 3.22Å; R558-N582 WeakPolarHBondContact CD-OD1 3.21Å; R558-N582 WeakPolarHBondContact CG-OD1 3.44Å; R558-N582 PolarHBondContact NH1-OD1 3.19Å; Y559-N582 CarbonylContact O-C 3.6Å; Y559-N582 WeakPolarHBondContact O-CA 3.44Å; F571-N582 HydrophobicContact CE1-CB 4.48Å; F571-N582 HydrophobicContact CZ-CB 4.04Å; Y573-N582 WeakPolarHBondContact CD2-ND2 3.07Å; N579-N582 WeakPolarHBondContact O-CB 3.49Å; Q580-N582 PolarHBondContact O-N 3.44Å
583	F	86.4	Confident	83.5	Confident	13 Å²	13	47 Å²	47	6%	0.057	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-92	148.2	-177.4	-55.8	-79.7	0	0	0	111.1	A542 Y559 N581 Q588 C589 T592	A542-F583 HydrophobicContact CB-CZ 4.01Å; Y559-F583 PolarHBondContact N-O 3.35Å; Y559-F583 WeakPolarHBondContact O-CD2 3.26Å; Y559-F583 PolarHBondContact O-N 3.03Å; N581-F583 WeakPolarHBondContact OD1-CE2 3.41Å; F583-Q588 HydrophobicContact CB-CB 4.34Å; F583-Q588 HydrophobicContact CB-CG 4.45Å; F583-Q588 HydrophobicContact CD1-CG 3.96Å; F583-C589 HydrophobicContact CB-CB 3.87Å; F583-C589 HydrophobicContact CD1-CB 4.4Å; F583-C589 HydrophobicContact CD2-CB 3.36Å; F583-C589 VanDerWaalsContact CD2-SG 3.58Å; F583-C589 HydrophobicContact CE2-CB 3.95Å; F583-C589 HydrophobicContact CG-CB 3.62Å; F583-T592 HydrophobicContact CE1-CG2 4.11Å; F583-T592 HydrophobicContact CZ-CG2 4.29Å
584	I	82.2	Confident	82.5	Confident	84 Å²	84	51.9 Å²	51.9	43%	0.431	25%	0.245	S	C	.	.	S	Bend	trans	-73.5	-34.3	-179.4	-61.5	171.3	0	0	0	110.4
585	S	87.2	Confident	80.9	Confident	34 Å²	34	52.3 Å²	52.3	24%	0.238	26%	0.256	C	S	.	.	S	Bend	trans	-135.1	163	177.1	92.2	0	0	0	0	112.9	E587 Q588 C589	S585-E587 WeakPolarHBondContact CB-OE2 3.37Å; S585-E587 PolarHBondContact OG-N 2.92Å; S585-E587 PolarHBondContact OG-OE2 3.2Å; S585-Q588 PolarHBondContact O-N 3.38Å; S585-Q588 PolarHBondContact OG-N 3.27Å; S585-C589 PolarHBondContact O-N 3.28Å
586	K	83.5	Confident	79.1	Confident	77 Å²	77	57.1 Å²	57.1	34%	0.335	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-41.7	175.6	-170.9	176	173.1	-87.9	0	111.6	Y559 C568 Q588 C589 E590	Y559-K586 HydrophobicContact CD1-CB 3.84Å; Y559-K586 HydrophobicContact CD1-CG 4.32Å; Y559-K586 HydrophobicContact CE1-CB 3.84Å; Y559-K586 HydrophobicContact CE1-CG 4.46Å; Y559-K586 HydrophobicContact CG-CB 4.29Å; C568-K586 HydrophobicContact CB-CG 4.16Å; K586-Q588 VanDerWaalsContact C-N 3.27Å; K586-Q588 PolarHBondContact O-N 3.19Å; K586-C589 WeakPolarHBondContact O-CB 3.32Å; K586-C589 PolarHBondContact O-N 3.44Å; K586-E590 VanDerWaalsContact CE-OE1 3.25Å; K586-E590 WeakPolarHBondContact CE-OE1 3.13Å; K586-E590 HydrophobicContact CG-CG 4.4Å; K586-E590 IonicContact NZ-OE1 3.33Å; K586-E590 PolarHBondContact NZ-OE1 2.85Å; K586-E590 IonicContact NZ-OE2 2.68Å; K586-E590 PolarHBondContact NZ-OE2 3.09Å; K586-E590 VanDerWaalsContact NZ-OE2 3.12Å; K586-E590 WeakPolarHBondContact O-CG 3.24Å; K586-E590 PolarHBondContact O-N 3.35Å
587	E	81.4	Confident	77	Confident	109 Å²	109	60.2 Å²	60.2	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-69.4	-24.4	-179.6	-48.2	74	-160.7	0	0	112.6	S585 R591	S585-E587 WeakPolarHBondContact CB-OE2 3.37Å; S585-E587 PolarHBondContact OG-N 2.92Å; S585-E587 PolarHBondContact OG-OE2 3.2Å; E587-R591 WeakPolarHBondContact O-CB 3.42Å; E587-R591 WeakPolarHBondContact O-CG 3.37Å; E587-R591 PolarHBondContact O-N 3.48Å; E587-R591 PolarHBondContact O-NE 2.02Å
588	Q	83	Confident	75.1	Confident	65 Å²	65	60.6 Å²	60.6	30%	0.304	33%	0.333	S	S	.	.	H	α-helix	trans	-69.3	-51.9	170.5	-172	-173.3	17.8	0	0	109.9	F583 S585 K586 E590 R591 T592	F583-Q588 HydrophobicContact CB-CB 4.34Å; F583-Q588 HydrophobicContact CB-CG 4.45Å; F583-Q588 HydrophobicContact CD1-CG 3.96Å; S585-Q588 PolarHBondContact O-N 3.38Å; S585-Q588 PolarHBondContact OG-N 3.27Å; K586-Q588 VanDerWaalsContact C-N 3.27Å; K586-Q588 PolarHBondContact O-N 3.19Å; Q588-E590 PolarHBondContact O-N 2.8Å; Q588-R591 PolarHBondContact O-N 3.1Å; Q588-T592 PolarHBondContact O-N 3.45Å; Q588-T592 VanDerWaalsContact O-N 3.07Å; Q588-T592 PolarHBondContact O-OG1 2.03Å
589	C	85.8	Confident	73.7	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-56.1	-48.4	177.3	177.4	0	0	0	0	112.3	F561 C568 F583 S585 K586 T592 C593	F561-C589 PolarHBondContact N-SG 3.29Å; C568-C589 HydrophobicContact CB-CB 3.72Å; C568-C589 WeakPolarHBondContact CB-SG 3.29Å; C568-C589 WeakPolarHBondContact SG-CB 3.32Å; C568-C589 CovalentContact SG-SG 2.03Å; C568-C589 PolarHBondContact SG-SG 3.2Å; F583-C589 HydrophobicContact CB-CB 3.87Å; F583-C589 HydrophobicContact CD1-CB 4.4Å; F583-C589 HydrophobicContact CD2-CB 3.36Å; F583-C589 VanDerWaalsContact CD2-SG 3.58Å; F583-C589 HydrophobicContact CE2-CB 3.95Å; F583-C589 HydrophobicContact CG-CB 3.62Å; S585-C589 PolarHBondContact O-N 3.28Å; K586-C589 WeakPolarHBondContact O-CB 3.32Å; K586-C589 PolarHBondContact O-N 3.44Å; C589-T592 PolarHBondContact O-N 3.35Å; C589-C593 WeakPolarHBondContact O-CB 3.46Å; C589-C593 PolarHBondContact O-N 2.82Å; C589-C593 PolarHBondContact O-SG 3.01Å
590	E	81.4	Confident	72.6	Confident	49 Å²	49	68.9 Å²	68.9	23%	0.229	37%	0.374	C	S	.	.	H	α-helix	trans	-65	-43.3	-178.2	-71.9	178.3	148.9	0	0	112	C568 K586 Q588 T592 L594	C568-E590 HydrophobicContact CB-CG 4.08Å; C568-E590 PolarHBondContact SG-N 3.1Å; C568-E590 VanDerWaalsContact SG-N 3.42Å; K586-E590 VanDerWaalsContact CE-OE1 3.25Å; K586-E590 WeakPolarHBondContact CE-OE1 3.13Å; K586-E590 HydrophobicContact CG-CG 4.4Å; K586-E590 IonicContact NZ-OE1 3.33Å; K586-E590 PolarHBondContact NZ-OE1 2.85Å; K586-E590 IonicContact NZ-OE2 2.68Å; K586-E590 PolarHBondContact NZ-OE2 3.09Å; K586-E590 VanDerWaalsContact NZ-OE2 3.12Å; K586-E590 WeakPolarHBondContact O-CG 3.24Å; K586-E590 PolarHBondContact O-N 3.35Å; Q588-E590 PolarHBondContact O-N 2.8Å; E590-T592 PolarHBondContact O-N 2.78Å; E590-L594 HydrophobicContact CB-CD1 4.06Å; E590-L594 HydrophobicContact CG-CD1 4.2Å; E590-L594 VanDerWaalsContact O-CB 3.3Å; E590-L594 WeakPolarHBondContact O-CB 3.26Å; E590-L594 WeakPolarHBondContact O-CG 3.35Å; E590-L594 PolarHBondContact O-N 3.28Å; E590-L594 VanDerWaalsContact O-N 3.15Å
591	R	73.6	Confident	72.2	Confident	169 Å²	169	69.7 Å²	69.7	64%	0.638	38%	0.38	S	S	*	.	H	α-helix	trans	-63	-42	176.7	-79.9	-179.5	-71.7	-174.9	-2.5	112.5	E587 Q588 T595	E587-R591 WeakPolarHBondContact O-CB 3.42Å; E587-R591 WeakPolarHBondContact O-CG 3.37Å; E587-R591 PolarHBondContact O-N 3.48Å; E587-R591 PolarHBondContact O-NE 2.02Å; Q588-R591 PolarHBondContact O-N 3.1Å; R591-T595 PolarHBondContact O-OG1 3.12Å
592	T	71.7	Confident	71.8	Confident	63 Å²	63	69.7 Å²	69.7	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-69.6	-43.6	-179.3	-62.4	0	0	0	0	112.3	F583 Q588 C589 E590	F583-T592 HydrophobicContact CE1-CG2 4.11Å; F583-T592 HydrophobicContact CZ-CG2 4.29Å; Q588-T592 PolarHBondContact O-N 3.45Å; Q588-T592 VanDerWaalsContact O-N 3.07Å; Q588-T592 PolarHBondContact O-OG1 2.03Å; C589-T592 PolarHBondContact O-N 3.35Å; E590-T592 PolarHBondContact O-N 2.78Å
593	C	76.5	Confident	71.6	Confident	22 Å²	22	68.9 Å²	68.9	15%	0.149	38%	0.375	C	S	.	.	H	α-helix	trans	-92.7	-19.8	-168.1	-61.2	0	0	0	0	115.6	C543 F561 C589	C543-C593 HydrophobicContact CB-CB 3.76Å; C543-C593 WeakPolarHBondContact CB-SG 3.4Å; C543-C593 WeakPolarHBondContact SG-CA 3.44Å; C543-C593 WeakPolarHBondContact SG-CB 3.4Å; C543-C593 CovalentContact SG-SG 2.03Å; C543-C593 PolarHBondContact SG-SG 2.87Å; F561-C593 HydrophobicContact CB-CB 4.18Å; F561-C593 HydrophobicContact CD1-CB 4.23Å; F561-C593 HydrophobicContact CD2-CB 3.67Å; F561-C593 HydrophobicContact CE2-CB 4.06Å; F561-C593 HydrophobicContact CG-CB 3.76Å; F561-C593 HydrophobicContact CZ-CB 4.48Å; C589-C593 WeakPolarHBondContact O-CB 3.46Å; C589-C593 PolarHBondContact O-N 2.82Å; C589-C593 PolarHBondContact O-SG 3.01Å
594	L	68.6	Low	71.3	Confident	103 Å²	103	72.5 Å²	72.5	54%	0.539	39%	0.388	S	S	.	.	S	Bend	trans	-101.8	1.7	-171.5	-61.2	174.9	0	0	0	115.3	F561 E590	F561-L594 HydrophobicContact CE2-CD2 3.79Å; F561-L594 HydrophobicContact CZ-CD2 4.22Å; E590-L594 HydrophobicContact CB-CD1 4.06Å; E590-L594 HydrophobicContact CG-CD1 4.2Å; E590-L594 VanDerWaalsContact O-CB 3.3Å; E590-L594 WeakPolarHBondContact O-CB 3.26Å; E590-L594 WeakPolarHBondContact O-CG 3.35Å; E590-L594 PolarHBondContact O-N 3.28Å; E590-L594 VanDerWaalsContact O-N 3.15Å
595	T	51.3	Low	70.8	Confident	105 Å²	105	71 Å²	71	64%	0.644	38%	0.383	S	S	*	.	S	Bend	trans	-123.4	6.6	-163.8	62.6	0	0	0	0	117.4	R591	R591-T595 PolarHBondContact O-OG1 3.12Å
596	T	45.4	Very low	70	Confident	100 Å²	100	71.6 Å²	71.6	61%	0.613	40%	0.395	S	S	*	.			trans	-116.1	134.5	-179	26	0	0	0	0	114.8
597	P	43.8	Very low	69.6	Low	113 Å²	113	73.1 Å²	73.1	73%	0.734	40%	0.404	S	S	*	.			trans	-82.1	161.7	-175.1	29.4	-31.5	0	0	0	115.1
598	A	43.3	Very low	69.5	Low	109 Å²	109	68.5 Å²	68.5	90%	0.901	38%	0.384	S	S	*	.			trans	-72	140.3	-168.3	0	0	0	0	0	115.1
599	Y	54.5	Low	69.3	Low	93 Å²	93	66.6 Å²	66.6	37%	0.365	38%	0.376	S	S	.	.			trans	-109.6	145.2	-179.8	167.6	-102.2	0	0	0	111.4	P602 P608 V615	Y599-P602 WeakPolarHBondContact OH-CD 3.45Å; Y599-P608 HydrophobicContact CE1-CG 3.53Å; Y599-P608 WeakPolarHBondContact OH-CG 3.09Å; Y599-V615 HydrophobicContact CD2-CG2 4.28Å; Y599-V615 HydrophobicContact CE1-CG2 4.07Å; Y599-V615 HydrophobicContact CE2-CB 4.49Å; Y599-V615 HydrophobicContact CE2-CG2 3.82Å
600	V	63.4	Low	68.7	Low	93 Å²	93	68.3 Å²	68.3	56%	0.564	39%	0.388	S	S	*	.			trans	-93.7	113.5	-179.3	179.6	0	0	0	0	110.4	P602	V600-P602 WeakPolarHBondContact O-CD 3.5Å
601	N	74.9	Confident	67.6	Low	45 Å²	45	69.7 Å²	69.7	24%	0.241	40%	0.396	C	S	.	.			trans	-81.1	115.5	-179.4	179.8	0.8	0	0	0	112.2	C603 G606 P608	N601-C603 VanDerWaalsContact OD1-CB 3.32Å; N601-C603 WeakPolarHBondContact OD1-CB 3.43Å; N601-C603 PolarHBondContact OD1-N 3.15Å; N601-G606 PolarHBondContact ND2-O 2.65Å; N601-P608 WeakPolarHBondContact OD1-CD 3.3Å
602	P	81.5	Confident	66.7	Low	0 Å²	0	65.5 Å²	65.5	0%	0	39%	0.393	C	S	.	.			trans	-82.5	-19.3	178.1	34.8	-35.1	0	0	0	113.9	Y599 V600 H631 T638 A640 K684	Y599-P602 WeakPolarHBondContact OH-CD 3.45Å; V600-P602 WeakPolarHBondContact O-CD 3.5Å; P602-H631 PolarHBondContact O-NE2 2.72Å; P602-T638 WeakPolarHBondContact CB-O 3.46Å; P602-A640 HydrophobicContact CG-CB 4.22Å; P602-K684 PolarHBondContact O-N 3.24Å
603	C	84	Confident	65.7	Low	0 Å²	0	63.8 Å²	63.8	0%	0	39%	0.387	C	S	.	.			trans	-71.1	139.5	-170.1	-55.1	0	0	0	0	112.9	N601 T605 P608 C642 K684	N601-C603 VanDerWaalsContact OD1-CB 3.32Å; N601-C603 WeakPolarHBondContact OD1-CB 3.43Å; N601-C603 PolarHBondContact OD1-N 3.15Å; C603-T605 VanDerWaalsContact CB-O 3.32Å; C603-T605 WeakPolarHBondContact CB-O 3.45Å; C603-P608 VanDerWaalsContact SG-CA 3.54Å; C603-C642 WeakPolarHBondContact CA-SG 3.25Å; C603-C642 HydrophobicContact CB-CB 3.61Å; C603-C642 WeakPolarHBondContact CB-SG 3.36Å; C603-C642 WeakPolarHBondContact SG-CA 3.49Å; C603-C642 WeakPolarHBondContact SG-CB 3.2Å; C603-C642 CovalentContact SG-SG 2.03Å; C603-C642 PolarHBondContact SG-SG 3.24Å; C603-K684 WeakPolarHBondContact O-CD 3.48Å; C603-K684 WeakPolarHBondContact O-CE 3.17Å; C603-K684 PolarHBondContact O-NZ 3.15Å
604	R	80.9	Confident	65	Low	89 Å²	89	70.3 Å²	70.3	34%	0.336	41%	0.413	S	S	.	.	S	Bend	trans	-55.8	-63.9	173.9	-177.6	179.1	178.8	-104.1	5.5	111	E655 K684	R604-E655 VanDerWaalsContact CD-OE2 3.31Å; R604-E655 WeakPolarHBondContact CD-OE2 3.49Å; R604-E655 IonicContact CZ-OE1 2.64Å; R604-E655 VanDerWaalsContact CZ-OE1 3.29Å; R604-E655 IonicContact CZ-OE2 2.76Å; R604-E655 VanDerWaalsContact NE-CD 3.33Å; R604-E655 IonicContact NE-OE1 2.67Å; R604-E655 PolarHBondContact NE-OE1 2.84Å; R604-E655 VanDerWaalsContact NE-OE1 3.14Å; R604-E655 IonicContact NE-OE2 2.62Å; R604-E655 PolarHBondContact NE-OE2 3.31Å; R604-E655 IonicContact NH2-OE1 3.75Å; R604-E655 PolarHBondContact NH2-OE1 3.13Å; R604-E655 IonicContact NH2-OE2 3.05Å; R604-K684 WeakPolarHBondContact CB-O 2.97Å
605	T	70.1	Confident	64.9	Low	52 Å²	52	67 Å²	67	32%	0.319	40%	0.397	S	S	.	.	S	Bend	trans	-110.9	155.1	169.8	51.2	0	0	0	0	110	C603 S643 E645	C603-T605 VanDerWaalsContact CB-O 3.32Å; C603-T605 WeakPolarHBondContact CB-O 3.45Å; T605-S643 PolarHBondContact O-OG 2.97Å; T605-E645 PolarHBondContact OG1-OE1 3.4Å
606	G	70.5	Confident	66.3	Low	47 Å²	47	64.2 Å²	64.2	49%	0.485	38%	0.376	S	S	.	.	S	Bend	trans	71.7	-169.4	178.1	0	0	0	0	0	115.7	N601	N601-G606 PolarHBondContact ND2-O 2.65Å
607	M	76.2	Confident	68	Low	109 Å²	109	62.4 Å²	62.4	54%	0.537	36%	0.362	S	S	.	.			trans	-112.6	151.1	172	-76	-106.6	-78.9	0	0	108.8	L541	L541-M607 HydrophobicContact CD2-CE 4.02Å
608	P	79.7	Confident	69.6	Low	12 Å²	12	57.4 Å²	57.4	8%	0.078	33%	0.33	C	S	.	.			trans	-68.3	145.9	178.2	27.4	-32.3	0	0	0	110.6	Y599 N601 C603 S610 V615 A640 C641	Y599-P608 HydrophobicContact CE1-CG 3.53Å; Y599-P608 WeakPolarHBondContact OH-CG 3.09Å; N601-P608 WeakPolarHBondContact OD1-CD 3.3Å; C603-P608 VanDerWaalsContact SG-CA 3.54Å; P608-S610 PolarHBondContact O-N 3.13Å; P608-V615 HydrophobicContact CB-CG1 3.94Å; P608-V615 HydrophobicContact CG-CG1 3.98Å; P608-A640 HydrophobicContact CB-CB 3.86Å; P608-C641 CarbonylContact C-O 3.55Å; P608-C641 WeakPolarHBondContact CA-O 3.07Å
609	L	78.9	Confident	71.1	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.131	31%	0.305	C	S	.	.			trans	-51.4	134.1	175.5	-178.4	63.8	0	0	0	110.3	L611 F616 P625 Y628 C641	L609-L611 HydrophobicContact CD2-CD1 3.77Å; L609-L611 HydrophobicContact CG-CD1 4.02Å; L609-F616 HydrophobicContact CB-CB 4.32Å; L609-F616 HydrophobicContact CD2-CB 4.16Å; L609-F616 HydrophobicContact CD2-CD1 4.2Å; L609-F616 HydrophobicContact CD2-CG 4.3Å; L609-F616 HydrophobicContact CG-CB 4.11Å; L609-F616 PolarHBondContact O-N 2.68Å; L609-P625 VanDerWaalsContact CD2-CD 3.42Å; L609-P625 HydrophobicContact CD2-CG 3.73Å; L609-Y628 HydrophobicContact CB-CD1 3.86Å; L609-Y628 HydrophobicContact CB-CE1 3.85Å; L609-Y628 HydrophobicContact CB-CG 4.41Å; L609-Y628 HydrophobicContact CD1-CD2 4.46Å; L609-Y628 HydrophobicContact CD1-CE1 4.25Å; L609-Y628 HydrophobicContact CD1-CE2 4.01Å; L609-C641 HydrophobicContact CB-CB 3.78Å; L609-C641 HydrophobicContact CD2-CB 4.02Å; L609-C641 PolarHBondContact N-O 3.49Å
610	S	71.7	Confident	71.5	Confident	36 Å²	36	59.4 Å²	59.4	25%	0.252	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.7	173.1	-171.2	0	0	0	0	108.2	P608 G613 K614	P608-S610 PolarHBondContact O-N 3.13Å; S610-G613 VanDerWaalsContact OG-C 3.31Å; S610-K614 WeakPolarHBondContact CA-O 3.24Å; S610-K614 PolarHBondContact OG-N 3.16Å; S610-K614 PolarHBondContact OG-O 3.16Å
611	L	59.1	Low	71.4	Confident	78 Å²	78	60.8 Å²	60.8	41%	0.408	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125	173.2	-91.5	126.9	0	0	0	107.7	L609 G613 K614 F616	L609-L611 HydrophobicContact CD2-CD1 3.77Å; L609-L611 HydrophobicContact CG-CD1 4.02Å; L611-G613 VanDerWaalsContact C-N 3.27Å; L611-G613 PolarHBondContact O-N 3Å; L611-K614 PolarHBondContact N-O 3.29Å; L611-K614 PolarHBondContact O-N 3.27Å; L611-K614 VanDerWaalsContact O-O 3.12Å; L611-F616 HydrophobicContact CB-CD2 4.07Å; L611-F616 HydrophobicContact CD1-CB 3.99Å; L611-F616 HydrophobicContact CD1-CD1 4.42Å; L611-F616 HydrophobicContact CD1-CD2 3.36Å; L611-F616 HydrophobicContact CD1-CE2 3.87Å; L611-F616 HydrophobicContact CD1-CG 3.66Å; L611-F616 HydrophobicContact CG-CD2 4.31Å
612	S	54.6	Low	71.3	Confident	82 Å²	82	62.5 Å²	62.5	57%	0.573	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	37.4	-178.1	-49	0	0	0	0	113.2	S519 K614	S519-S612 WeakPolarHBondContact CB-OG 3.03Å; S519-S612 PolarHBondContact OG-OG 3.25Å; S612-K614 PolarHBondContact O-N 2.6Å
613	G	51.2	Low	70.9	Confident	26 Å²	26	69.1 Å²	69.1	27%	0.268	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-1.5	178.3	0	0	0	0	0	116.1	R540 S610 L611	R540-G613 PolarHBondContact NH1-O 3.43Å; R540-G613 VanDerWaalsContact NH1-O 3.12Å; S610-G613 VanDerWaalsContact OG-C 3.31Å; L611-G613 VanDerWaalsContact C-N 3.27Å; L611-G613 PolarHBondContact O-N 3Å
614	K	61.4	Low	70.7	Confident	160 Å²	160	70.5 Å²	70.5	70%	0.696	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	134.1	172.6	-168.5	177.1	-177.3	-179.2	0	109	S610 L611 S612 F616	S610-K614 WeakPolarHBondContact CA-O 3.24Å; S610-K614 PolarHBondContact OG-N 3.16Å; S610-K614 PolarHBondContact OG-O 3.16Å; L611-K614 PolarHBondContact N-O 3.29Å; L611-K614 PolarHBondContact O-N 3.27Å; L611-K614 VanDerWaalsContact O-O 3.12Å; S612-K614 PolarHBondContact O-N 2.6Å; K614-F616 PolarHBondContact O-N 2.72Å
615	V	66.8	Low	70.6	Confident	32 Å²	32	69.2 Å²	69.2	19%	0.194	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.9	174.4	177.8	0	0	0	0	109.1	Y599 P608 L617 A640	Y599-V615 HydrophobicContact CD2-CG2 4.28Å; Y599-V615 HydrophobicContact CE1-CG2 4.07Å; Y599-V615 HydrophobicContact CE2-CB 4.49Å; Y599-V615 HydrophobicContact CE2-CG2 3.82Å; P608-V615 HydrophobicContact CB-CG1 3.94Å; P608-V615 HydrophobicContact CG-CG1 3.98Å; V615-L617 HydrophobicContact CG1-CD2 4.07Å; V615-L617 PolarHBondContact O-N 3.43Å; V615-L617 VanDerWaalsContact O-N 3.09Å; V615-A640 HydrophobicContact CG1-CB 3.91Å
616	F	80.2	Confident	70.6	Confident	48 Å²	48	72.8 Å²	72.8	21%	0.211	42%	0.42	C	S	.	.			trans	-81.1	93.7	-177.7	-166.6	-94.7	0	0	0	109.1	L609 L611 K614 C618 N622 L623 C641	L609-F616 HydrophobicContact CB-CB 4.32Å; L609-F616 HydrophobicContact CD2-CB 4.16Å; L609-F616 HydrophobicContact CD2-CD1 4.2Å; L609-F616 HydrophobicContact CD2-CG 4.3Å; L609-F616 HydrophobicContact CG-CB 4.11Å; L609-F616 PolarHBondContact O-N 2.68Å; L611-F616 HydrophobicContact CB-CD2 4.07Å; L611-F616 HydrophobicContact CD1-CB 3.99Å; L611-F616 HydrophobicContact CD1-CD1 4.42Å; L611-F616 HydrophobicContact CD1-CD2 3.36Å; L611-F616 HydrophobicContact CD1-CE2 3.87Å; L611-F616 HydrophobicContact CD1-CG 3.66Å; L611-F616 HydrophobicContact CG-CD2 4.31Å; K614-F616 PolarHBondContact O-N 2.72Å; F616-C618 PolarHBondContact O-N 3.33Å; F616-N622 HydrophobicContact CE1-CB 4.36Å; F616-N622 HydrophobicContact CZ-CB 4.26Å; F616-L623 WeakPolarHBondContact CE1-O 3.3Å; F616-C641 HydrophobicContact CD1-CB 4.47Å; F616-C641 VanDerWaalsContact CD1-SG 3.53Å; F616-C641 PolarHBondContact O-N 3.13Å
617	L	82.2	Confident	70.8	Confident	61 Å²	61	73.2 Å²	73.2	32%	0.319	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-73.5	122.4	175.6	-53.8	-179.4	0	0	0	108.8	V615 A636 T639 A640	V615-L617 HydrophobicContact CG1-CD2 4.07Å; V615-L617 PolarHBondContact O-N 3.43Å; V615-L617 VanDerWaalsContact O-N 3.09Å; L617-A636 WeakPolarHBondContact CD1-O 3.41Å; L617-A636 WeakPolarHBondContact CD2-O 3.25Å; L617-T639 VanDerWaalsContact CA-O 3.24Å; L617-T639 WeakPolarHBondContact CA-O 3.36Å; L617-T639 WeakPolarHBondContact CB-O 3.29Å; L617-A640 HydrophobicContact CD2-CB 4.17Å
618	C	76.2	Confident	71.1	Confident	9 Å²	9	72.2 Å²	72.2	6%	0.061	42%	0.415	C	S	.	.			trans	-89	158.6	-177.5	56	0	0	0	0	111.9	F616 N622 C630 T639 A640	F616-C618 PolarHBondContact O-N 3.33Å; C618-N622 VanDerWaalsContact CA-O 3.25Å; C618-N622 WeakPolarHBondContact CA-O 2.99Å; C618-N622 WeakPolarHBondContact CB-O 3.25Å; C618-C630 HydrophobicContact CB-CB 3.74Å; C618-C630 WeakPolarHBondContact CB-SG 3.3Å; C618-C630 WeakPolarHBondContact SG-CA 3.32Å; C618-C630 WeakPolarHBondContact SG-CB 3.48Å; C618-C630 CovalentContact SG-SG 2.04Å; C618-C630 PolarHBondContact SG-SG 3.11Å; C618-T639 PolarHBondContact N-O 2.03Å; C618-T639 WeakPolarHBondContact O-CG2 3.17Å; C618-A640 VanDerWaalsContact SG-C 3.52Å
619	S	75.5	Confident	71.2	Confident	54 Å²	54	73.3 Å²	73.3	38%	0.378	42%	0.417	S	S	.	.			trans	-157.1	179.3	174.6	74.5	0	0	0	0	109.3	T621 N622	S619-T621 PolarHBondContact O-N 3.36Å; S619-T621 VanDerWaalsContact O-N 3.09Å; S619-T621 PolarHBondContact OG-N 3.41Å; S619-T621 VanDerWaalsContact OG-N 3.11Å; S619-T621 PolarHBondContact OG-OG1 2.81Å; S619-N622 PolarHBondContact N-O 2.6Å; S619-N622 CarbonylContact O-C 3.51Å; S619-N622 PolarHBondContact O-N 2.04Å; S619-N622 PolarHBondContact OG-N 3.12Å
620	K	61.8	Low	71.4	Confident	189 Å²	189	74.1 Å²	74.1	82%	0.822	43%	0.425	S	S	*	.	S	Bend	trans	-58.2	-18.6	170.5	-73.8	-167.8	172.1	-171.9	0	113.9
621	T	61.9	Low	71.9	Confident	123 Å²	123	72.5 Å²	72.5	76%	0.755	41%	0.413	S	S	*	.	S	Bend	trans	-105.6	-32.5	175.7	52.8	0	0	0	0	113.3	S619 L623	S619-T621 PolarHBondContact O-N 3.36Å; S619-T621 VanDerWaalsContact O-N 3.09Å; S619-T621 PolarHBondContact OG-N 3.41Å; S619-T621 VanDerWaalsContact OG-N 3.11Å; S619-T621 PolarHBondContact OG-OG1 2.81Å; T621-L623 PolarHBondContact O-N 2.84Å
622	N	72.9	Confident	72.8	Confident	80 Å²	80	71.3 Å²	71.3	43%	0.428	41%	0.407	S	S	.	.	S	Bend	trans	-95.7	82.7	172.7	-83.3	-2.3	0	0	0	110.4	F616 C618 S619	F616-N622 HydrophobicContact CE1-CB 4.36Å; F616-N622 HydrophobicContact CZ-CB 4.26Å; C618-N622 VanDerWaalsContact CA-O 3.25Å; C618-N622 WeakPolarHBondContact CA-O 2.99Å; C618-N622 WeakPolarHBondContact CB-O 3.25Å; S619-N622 PolarHBondContact N-O 2.6Å; S619-N622 CarbonylContact O-C 3.51Å; S619-N622 PolarHBondContact O-N 2.04Å; S619-N622 PolarHBondContact OG-N 3.12Å
623	L	74.2	Confident	73.9	Confident	139 Å²	139	67.7 Å²	67.7	73%	0.728	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-70.5	149.1	175	-73.6	149.3	0	0	0	111.8	F616 T621	F616-L623 WeakPolarHBondContact CE1-O 3.3Å; T621-L623 PolarHBondContact O-N 2.84Å
624	C	79.2	Confident	74.9	Confident	30 Å²	30	68.5 Å²	68.5	20%	0.203	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-76.2	141.4	176.6	-61.7	0	0	0	0	111.9	Y628 Y629 C630 C641	C624-Y628 WeakPolarHBondContact CB-O 3.49Å; C624-Y629 VanDerWaalsContact SG-C 3.5Å; C624-C630 WeakPolarHBondContact SG-CA 3.41Å; C624-C630 PolarHBondContact SG-N 2.73Å; C624-C630 VanDerWaalsContact SG-N 3.38Å; C624-C641 WeakPolarHBondContact CA-SG 3.42Å; C624-C641 HydrophobicContact CB-CB 3.83Å; C624-C641 WeakPolarHBondContact CB-SG 3.43Å; C624-C641 WeakPolarHBondContact SG-CA 3.4Å; C624-C641 WeakPolarHBondContact SG-CB 3.29Å; C624-C641 CovalentContact SG-SG 2.02Å; C624-C641 PolarHBondContact SG-SG 2.9Å
625	P	79.4	Confident	75.6	Confident	61 Å²	61	63.8 Å²	63.8	40%	0.396	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61.7	155.3	168.2	-22.4	34.5	0	0	0	112.8	L609 G627 Y628	L609-P625 VanDerWaalsContact CD2-CD 3.42Å; L609-P625 HydrophobicContact CD2-CG 3.73Å; P625-G627 PolarHBondContact O-N 3.22Å; P625-Y628 PolarHBondContact O-N 2.85Å
626	S	68.4	Low	75.8	Confident	128 Å²	128	65.4 Å²	65.4	90%	0.895	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	136.1	177.1	-51.9	0	0	0	0	112.7
627	G	74.4	Confident	75.3	Confident	55 Å²	55	69 Å²	69	57%	0.567	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-9.8	-172.6	0	0	0	0	0	114.4	P625 A644	P625-G627 PolarHBondContact O-N 3.22Å; G627-A644 PolarHBondContact O-N 3.35Å
628	Y	83.4	Confident	75.2	Confident	89 Å²	89	66.6 Å²	66.6	35%	0.349	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.1	173.3	-66.3	-101.2	0	0	0	111.3	L609 C624 P625 C641 C642	L609-Y628 HydrophobicContact CB-CD1 3.86Å; L609-Y628 HydrophobicContact CB-CE1 3.85Å; L609-Y628 HydrophobicContact CB-CG 4.41Å; L609-Y628 HydrophobicContact CD1-CD2 4.46Å; L609-Y628 HydrophobicContact CD1-CE1 4.25Å; L609-Y628 HydrophobicContact CD1-CE2 4.01Å; C624-Y628 WeakPolarHBondContact CB-O 3.49Å; P625-Y628 PolarHBondContact O-N 2.85Å; Y628-C641 HydrophobicContact CD1-CB 4.46Å; Y628-C642 CarbonylContact C-O 3.46Å; Y628-C642 WeakPolarHBondContact CA-O 3.34Å; Y628-C642 WeakPolarHBondContact CB-O 3.33Å; Y628-C642 VanDerWaalsContact CD1-C 3.47Å
629	Y	81.9	Confident	75.6	Confident	34 Å²	34	67.1 Å²	67.1	13%	0.133	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	155.2	169.1	77	-78.8	0	0	0	110.4	C624 H631 C641 C642 S643 A644 G685 Q687	C624-Y629 VanDerWaalsContact SG-C 3.5Å; Y629-H631 HydrophobicContact CE2-CB 3.99Å; Y629-H631 PolarHBondContact O-N 3.31Å; Y629-C641 CarbonylContact O-C 3.54Å; Y629-C641 VanDerWaalsContact O-CA 3.31Å; Y629-C641 WeakPolarHBondContact O-CA 3.27Å; Y629-C642 HydrophobicContact CD1-CB 4.12Å; Y629-C642 VanDerWaalsContact CD1-O 3.23Å; Y629-C642 WeakPolarHBondContact CD1-O 2.99Å; Y629-C642 HydrophobicContact CE1-CB 3.58Å; Y629-C642 PolarHBondContact N-O 3.42Å; Y629-C642 PolarHBondContact O-N 2.7Å; Y629-S643 WeakPolarHBondContact CE1-O 3.31Å; Y629-A644 HydrophobicContact CD1-CB 4.19Å; Y629-G685 PolarHBondContact OH-O 3.14Å; Y629-Q687 HydrophobicContact CD1-CG 3.6Å; Y629-Q687 HydrophobicContact CD2-CB 4.45Å; Y629-Q687 HydrophobicContact CD2-CG 3.61Å; Y629-Q687 HydrophobicContact CE1-CG 3.84Å; Y629-Q687 HydrophobicContact CE2-CG 3.83Å; Y629-Q687 HydrophobicContact CG-CG 3.48Å; Y629-Q687 VanDerWaalsContact CG-CG 3.48Å
630	C	82.4	Confident	75.9	Confident	42 Å²	42	64.6 Å²	64.6	28%	0.284	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	106.9	172.6	-178.2	0	0	0	0	109.4	C618 C624 I632	C618-C630 HydrophobicContact CB-CB 3.74Å; C618-C630 WeakPolarHBondContact CB-SG 3.3Å; C618-C630 WeakPolarHBondContact SG-CA 3.32Å; C618-C630 WeakPolarHBondContact SG-CB 3.48Å; C618-C630 CovalentContact SG-SG 2.04Å; C618-C630 PolarHBondContact SG-SG 3.11Å; C624-C630 WeakPolarHBondContact SG-CA 3.41Å; C624-C630 PolarHBondContact SG-N 2.73Å; C624-C630 VanDerWaalsContact SG-N 3.38Å; C630-I632 PolarHBondContact O-N 3.5Å
631	H	83.3	Confident	77.1	Confident	3 Å²	3	55.6 Å²	55.6	1%	0.014	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.3	167.7	167.4	-76.1	0	0	0	108.2	P602 Y629 T638 T639 A640 C642 Y680 K684	P602-H631 PolarHBondContact O-NE2 2.72Å; Y629-H631 HydrophobicContact CE2-CB 3.99Å; Y629-H631 PolarHBondContact O-N 3.31Å; H631-T638 PolarHBondContact CE1-O 2.8Å; H631-T638 PolarHBondContact ND1-O 3.39Å; H631-T639 CarbonylContact O-C 3.47Å; H631-T639 WeakPolarHBondContact O-CA 3.42Å; H631-A640 WeakPolarHBondContact CB-O 3.41Å; H631-A640 PolarHBondContact N-O 3.02Å; H631-A640 PolarHBondContact O-N 2.83Å; H631-A640 VanDerWaalsContact O-N 3.12Å; H631-C642 HydrophobicContact CB-CB 4.1Å; H631-C642 WeakPolarHBondContact CB-SG 3.29Å; H631-Y680 PolarHBondContact NE2-OH 3.22Å; H631-K684 PolarHBondContact NE2-N 2.91Å
632	I	78.5	Confident	78.2	Confident	52 Å²	52	49.7 Å²	49.7	27%	0.267	30%	0.301	S	S	.	.			trans	-100	96.5	-178.5	-55.5	177.4	0	0	0	109.8	C630 R665 Y680 V691	C630-I632 PolarHBondContact O-N 3.5Å; I632-R665 PolarHBondContact O-NH1 3.18Å; I632-R665 PolarHBondContact O-NH2 3.22Å; I632-Y680 WeakPolarHBondContact O-CE1 3.02Å; I632-V691 HydrophobicContact CD1-CG2 3.4Å; I632-V691 VanDerWaalsContact CD1-CG2 3.4Å; I632-V691 HydrophobicContact CG2-CG2 4.24Å
633	G	77.8	Confident	78.6	Confident	6 Å²	6	47.6 Å²	47.6	6%	0.062	29%	0.292	C	S	.	.			trans	-84.4	-166.7	178.8	0	0	0	0	0	114.1	T638 T639 G682	G633-T638 WeakPolarHBondContact CA-OG1 3.38Å; G633-T639 PolarHBondContact N-OG1 2.94Å; G633-G682 WeakPolarHBondContact CA-O 3.17Å
634	S	71.2	Confident	78.6	Confident	43 Å²	43	42.9 Å²	42.9	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-82.7	-28.1	178.2	63.1	0	0	0	0	114	T638 E661 G682	S634-T638 PolarHBondContact N-OG1 2.9Å; S634-E661 PolarHBondContact OG-OE1 2.92Å; S634-G682 PolarHBondContact N-O 3.44Å
635	T	76.6	Confident	77.9	Confident	62 Å²	62	45.4 Å²	45.4	38%	0.38	28%	0.282	S	S	.	.	S	Bend	trans	-120.4	157.4	176	78.6	0	0	0	0	112	Q637 T638 T639	T635-Q637 PolarHBondContact O-N 2.94Å; T635-Q637 VanDerWaalsContact O-N 3.09Å; T635-Q637 PolarHBondContact OG1-N 3.5Å; T635-Q637 PolarHBondContact OG1-OE1 2.79Å; T635-T638 PolarHBondContact N-OG1 3.48Å; T635-T638 CarbonylContact O-C 3.58Å; T635-T638 WeakPolarHBondContact O-CA 3.1Å; T635-T638 PolarHBondContact O-N 2.88Å; T635-T638 PolarHBondContact O-OG1 3.35Å; T635-T638 PolarHBondContact OG1-OG1 3.39Å; T635-T639 PolarHBondContact O-N 2.85Å; T635-T639 PolarHBondContact O-OG1 2.02Å
636	A	69.6	Low	76.9	Confident	66 Å²	66	49.9 Å²	49.9	55%	0.545	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.4	176.4	0	0	0	0	0	113.4	L617 T638 T639	L617-A636 WeakPolarHBondContact CD1-O 3.41Å; L617-A636 WeakPolarHBondContact CD2-O 3.25Å; A636-T638 VanDerWaalsContact C-N 3.33Å; A636-T639 PolarHBondContact O-N 2.81Å
637	Q	71.6	Confident	76.7	Confident	124 Å²	124	47.7 Å²	47.7	58%	0.579	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-19.9	177.1	-57.5	79.6	8.2	0	0	113.3	T635	T635-Q637 PolarHBondContact O-N 2.94Å; T635-Q637 VanDerWaalsContact O-N 3.09Å; T635-Q637 PolarHBondContact OG1-N 3.5Å; T635-Q637 PolarHBondContact OG1-OE1 2.79Å
638	T	78.5	Confident	76.6	Confident	10 Å²	10	47.3 Å²	47.3	6%	0.061	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-8.8	173.5	60	0	0	0	0	113.3	P602 H631 G633 S634 T635 A636 A640 K683	P602-T638 WeakPolarHBondContact CB-O 3.46Å; H631-T638 PolarHBondContact CE1-O 2.8Å; H631-T638 PolarHBondContact ND1-O 3.39Å; G633-T638 WeakPolarHBondContact CA-OG1 3.38Å; S634-T638 PolarHBondContact N-OG1 2.9Å; T635-T638 PolarHBondContact N-OG1 3.48Å; T635-T638 CarbonylContact O-C 3.58Å; T635-T638 WeakPolarHBondContact O-CA 3.1Å; T635-T638 PolarHBondContact O-N 2.88Å; T635-T638 PolarHBondContact O-OG1 3.35Å; T635-T638 PolarHBondContact OG1-OG1 3.39Å; A636-T638 VanDerWaalsContact C-N 3.33Å; T638-A640 PolarHBondContact O-N 2.75Å; T638-K683 HydrophobicContact CG2-CG 4.45Å
639	T	84.4	Confident	76.2	Confident	20 Å²	20	45.3 Å²	45.3	12%	0.123	27%	0.272	C	S	.	.			trans	-90	93.6	173.9	-61.7	0	0	0	0	109.6	L617 C618 H631 G633 T635 A636	L617-T639 VanDerWaalsContact CA-O 3.24Å; L617-T639 WeakPolarHBondContact CA-O 3.36Å; L617-T639 WeakPolarHBondContact CB-O 3.29Å; C618-T639 PolarHBondContact N-O 2.03Å; C618-T639 WeakPolarHBondContact O-CG2 3.17Å; H631-T639 CarbonylContact O-C 3.47Å; H631-T639 WeakPolarHBondContact O-CA 3.42Å; G633-T639 PolarHBondContact N-OG1 2.94Å; T635-T639 PolarHBondContact O-N 2.85Å; T635-T639 PolarHBondContact O-OG1 2.02Å; A636-T639 PolarHBondContact O-N 2.81Å
640	A	83.5	Confident	76.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.3	-170.2	0	0	0	0	0	111.6	P602 P608 V615 L617 C618 H631 T638 C642	P602-A640 HydrophobicContact CG-CB 4.22Å; P608-A640 HydrophobicContact CB-CB 3.86Å; V615-A640 HydrophobicContact CG1-CB 3.91Å; L617-A640 HydrophobicContact CD2-CB 4.17Å; C618-A640 VanDerWaalsContact SG-C 3.52Å; H631-A640 WeakPolarHBondContact CB-O 3.41Å; H631-A640 PolarHBondContact N-O 3.02Å; H631-A640 PolarHBondContact O-N 2.83Å; H631-A640 VanDerWaalsContact O-N 3.12Å; T638-A640 PolarHBondContact O-N 2.75Å; A640-C642 PolarHBondContact O-N 2.03Å
641	C	86.8	Confident	76.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.1	176.1	-65.9	0	0	0	0	111.3	P608 L609 F616 C624 Y628 Y629	P608-C641 CarbonylContact C-O 3.55Å; P608-C641 WeakPolarHBondContact CA-O 3.07Å; L609-C641 HydrophobicContact CB-CB 3.78Å; L609-C641 HydrophobicContact CD2-CB 4.02Å; L609-C641 PolarHBondContact N-O 3.49Å; F616-C641 HydrophobicContact CD1-CB 4.47Å; F616-C641 VanDerWaalsContact CD1-SG 3.53Å; F616-C641 PolarHBondContact O-N 3.13Å; C624-C641 WeakPolarHBondContact CA-SG 3.42Å; C624-C641 HydrophobicContact CB-CB 3.83Å; C624-C641 WeakPolarHBondContact CB-SG 3.43Å; C624-C641 WeakPolarHBondContact SG-CA 3.4Å; C624-C641 WeakPolarHBondContact SG-CB 3.29Å; C624-C641 CovalentContact SG-SG 2.02Å; C624-C641 PolarHBondContact SG-SG 2.9Å; Y628-C641 HydrophobicContact CD1-CB 4.46Å; Y629-C641 CarbonylContact O-C 3.54Å; Y629-C641 VanDerWaalsContact O-CA 3.31Å; Y629-C641 WeakPolarHBondContact O-CA 3.27Å
642	C	85	Confident	76.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	152.9	-179.6	-68.2	0	0	0	0	110.9	C603 Y628 Y629 H631 A640 A644	C603-C642 WeakPolarHBondContact CA-SG 3.25Å; C603-C642 HydrophobicContact CB-CB 3.61Å; C603-C642 WeakPolarHBondContact CB-SG 3.36Å; C603-C642 WeakPolarHBondContact SG-CA 3.49Å; C603-C642 WeakPolarHBondContact SG-CB 3.2Å; C603-C642 CovalentContact SG-SG 2.03Å; C603-C642 PolarHBondContact SG-SG 3.24Å; Y628-C642 CarbonylContact C-O 3.46Å; Y628-C642 WeakPolarHBondContact CA-O 3.34Å; Y628-C642 WeakPolarHBondContact CB-O 3.33Å; Y628-C642 VanDerWaalsContact CD1-C 3.47Å; Y629-C642 HydrophobicContact CD1-CB 4.12Å; Y629-C642 VanDerWaalsContact CD1-O 3.23Å; Y629-C642 WeakPolarHBondContact CD1-O 2.99Å; Y629-C642 HydrophobicContact CE1-CB 3.58Å; Y629-C642 PolarHBondContact N-O 3.42Å; Y629-C642 PolarHBondContact O-N 2.7Å; H631-C642 HydrophobicContact CB-CB 4.1Å; H631-C642 WeakPolarHBondContact CB-SG 3.29Å; A640-C642 PolarHBondContact O-N 2.03Å; C642-A644 PolarHBondContact O-N 3.41Å
643	S	81.3	Confident	76.3	Confident	35 Å²	35	54.8 Å²	54.8	25%	0.245	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.6	-179.2	46.8	0	0	0	0	111.1	T605 Y629	T605-S643 PolarHBondContact O-OG 2.97Å; Y629-S643 WeakPolarHBondContact CE1-O 3.31Å
644	A	72.9	Confident	76.6	Confident	41 Å²	41	57.1 Å²	57.1	34%	0.339	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-84	124.7	176.9	0	0	0	0	0	110.8	G627 Y629 C642	G627-A644 PolarHBondContact O-N 3.35Å; Y629-A644 HydrophobicContact CD1-CB 4.19Å; C642-A644 PolarHBondContact O-N 3.41Å
645	E	64.4	Low	77.2	Confident	82 Å²	82	58 Å²	58	38%	0.383	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-58.8	146.2	162.6	-61.5	-74.9	144.8	0	0	109.8	T605 T647	T605-E645 PolarHBondContact OG1-OE1 3.4Å; E645-T647 PolarHBondContact O-N 3.32Å; E645-T647 VanDerWaalsContact O-N 3.09Å
646	V	60.1	Low	77.5	Confident	156 Å²	156	57.2 Å²	57.2	95%	0.945	32%	0.322	S	S	*	.	S	Bend	trans	-70.6	-5.2	-175.2	-174.1	0	0	0	0	112.9
647	T	63.2	Low	78.2	Confident	82 Å²	82	55.1 Å²	55.1	50%	0.503	31%	0.307	S	S	.	.	S	Bend	trans	-79.9	127.9	174.4	47.4	0	0	0	0	111.4	E645 Q652	E645-T647 PolarHBondContact O-N 3.32Å; E645-T647 VanDerWaalsContact O-N 3.09Å; T647-Q652 PolarHBondContact O-NE2 2.91Å; T647-Q652 PolarHBondContact OG1-NE2 3.45Å
648	D	72.5	Confident	78.6	Confident	47 Å²	47	55.2 Å²	55.2	25%	0.251	31%	0.308	S	S	.	.			trans	-36.9	118.5	166.9	177.3	-5.3	0	0	0	110.7	C650 R651	D648-C650 PolarHBondContact O-N 2.81Å; D648-C650 WeakPolarHBondContact OD1-CB 3.3Å; D648-C650 PolarHBondContact OD1-N 2.86Å; D648-C650 PolarHBondContact OD1-SG 2.81Å; D648-R651 HydrophobicContact CB-CB 4.36Å; D648-R651 HydrophobicContact CB-CG 4.01Å; D648-R651 PolarHBondContact O-N 2.82Å; D648-R651 IonicContact OD2-NE 2.7Å
649	P	74.7	Confident	78.6	Confident	47 Å²	47	56.3 Å²	56.3	31%	0.305	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-44.3	-39.8	179.2	-33.5	38.4	0	0	0	113.4	R651 Q652 Q687 N688	P649-R651 PolarHBondContact O-N 3.33Å; P649-Q652 WeakPolarHBondContact O-CB 3.48Å; P649-Q652 WeakPolarHBondContact O-CG 3.47Å; P649-Q652 PolarHBondContact O-N 2.98Å; P649-Q652 VanDerWaalsContact O-N 3.09Å; P649-Q687 HydrophobicContact CB-CB 3.59Å; P649-Q687 HydrophobicContact CG-CB 3.75Å; P649-N688 VanDerWaalsContact O-CB 3.28Å; P649-N688 WeakPolarHBondContact O-CB 2.99Å
650	C	81.8	Confident	78.3	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.014	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-77.6	-12.1	-170.6	-47.2	0	0	0	0	112.8	D648 Y668 C700	D648-C650 PolarHBondContact O-N 2.81Å; D648-C650 WeakPolarHBondContact OD1-CB 3.3Å; D648-C650 PolarHBondContact OD1-N 2.86Å; D648-C650 PolarHBondContact OD1-SG 2.81Å; C650-Y668 HydrophobicContact CB-CD1 3.92Å; C650-Y668 HydrophobicContact CB-CG 4.28Å; C650-C700 HydrophobicContact CB-CB 3.56Å; C650-C700 WeakPolarHBondContact CB-SG 2.98Å; C650-C700 WeakPolarHBondContact SG-CA 3.01Å; C650-C700 WeakPolarHBondContact SG-CB 3.4Å; C650-C700 CovalentContact SG-SG 2.02Å; C650-C700 PolarHBondContact SG-SG 3.03Å
651	R	80.6	Confident	77.8	Confident	166 Å²	166	67.5 Å²	67.5	63%	0.626	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-96.3	-2.5	172	-62.4	-176.4	179.8	-129.3	-2.9	113.1	D648 P649	D648-R651 HydrophobicContact CB-CB 4.36Å; D648-R651 HydrophobicContact CB-CG 4.01Å; D648-R651 PolarHBondContact O-N 2.82Å; D648-R651 IonicContact OD2-NE 2.7Å; P649-R651 PolarHBondContact O-N 3.33Å
652	Q	82.7	Confident	77.5	Confident	19 Å²	19	75.8 Å²	75.8	9%	0.089	42%	0.416	C	S	.	.	S	Bend	trans	-83.3	134.5	177.9	-54.6	175.2	11.3	0	0	109	T647 P649 Q687 N688	T647-Q652 PolarHBondContact O-NE2 2.91Å; T647-Q652 PolarHBondContact OG1-NE2 3.45Å; P649-Q652 WeakPolarHBondContact O-CB 3.48Å; P649-Q652 WeakPolarHBondContact O-CG 3.47Å; P649-Q652 PolarHBondContact O-N 2.98Å; P649-Q652 VanDerWaalsContact O-N 3.09Å; Q652-Q687 VanDerWaalsContact OE1-N 3.1Å; Q652-N688 HydrophobicContact CB-CB 4.36Å; Q652-N688 PolarHBondContact O-ND2 2.83Å
653	N	82.5	Confident	77.2	Confident	142 Å²	142	78.1 Å²	78.1	76%	0.759	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-59.8	142.3	172.5	-63.5	-17.5	0	0	0	109.8	E655 N686	N653-E655 PolarHBondContact O-N 3.36Å; N653-N686 PolarHBondContact O-ND2 3.15Å
654	V	85.6	Confident	77.4	Confident	55 Å²	55	82.6 Å²	82.6	33%	0.333	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62.3	134.5	178.4	63.9	0	0	0	0	111.6	Y667 F678	V654-Y667 HydrophobicContact CB-CD1 4.48Å; V654-Y667 HydrophobicContact CB-CD2 3.66Å; V654-Y667 HydrophobicContact CB-CE2 4.01Å; V654-Y667 HydrophobicContact CB-CG 3.9Å; V654-Y667 HydrophobicContact CG1-CD2 4.14Å; V654-Y667 HydrophobicContact CG1-CE2 3.95Å; V654-Y667 HydrophobicContact CG2-CD1 4.13Å; V654-Y667 HydrophobicContact CG2-CD2 4.12Å; V654-Y667 HydrophobicContact CG2-CG 3.82Å; V654-F678 HydrophobicContact CG2-CB 4.36Å; V654-F678 HydrophobicContact CG2-CD1 3.77Å; V654-F678 HydrophobicContact CG2-CD2 3.48Å; V654-F678 VanDerWaalsContact CG2-CD2 3.48Å; V654-F678 HydrophobicContact CG2-CE1 3.78Å; V654-F678 HydrophobicContact CG2-CE2 3.5Å; V654-F678 HydrophobicContact CG2-CG 3.61Å; V654-F678 HydrophobicContact CG2-CZ 3.64Å
655	E	83.8	Confident	78.3	Confident	61 Å²	61	81.3 Å²	81.3	29%	0.285	43%	0.431	S	S	.	.			trans	-122	116.8	177.9	-77.8	-179	-166.8	0	0	111	R604 N653 G657	R604-E655 VanDerWaalsContact CD-OE2 3.31Å; R604-E655 WeakPolarHBondContact CD-OE2 3.49Å; R604-E655 IonicContact CZ-OE1 2.64Å; R604-E655 VanDerWaalsContact CZ-OE1 3.29Å; R604-E655 IonicContact CZ-OE2 2.76Å; R604-E655 VanDerWaalsContact NE-CD 3.33Å; R604-E655 IonicContact NE-OE1 2.67Å; R604-E655 PolarHBondContact NE-OE1 2.84Å; R604-E655 VanDerWaalsContact NE-OE1 3.14Å; R604-E655 IonicContact NE-OE2 2.62Å; R604-E655 PolarHBondContact NE-OE2 3.31Å; R604-E655 IonicContact NH2-OE1 3.75Å; R604-E655 PolarHBondContact NH2-OE1 3.13Å; R604-E655 IonicContact NH2-OE2 3.05Å; N653-E655 PolarHBondContact O-N 3.36Å; E655-G657 PolarHBondContact O-N 3.42Å; E655-G657 VanDerWaalsContact O-N 3.17Å
656	A	82.5	Confident	79.4	Confident	46 Å²	46	80.2 Å²	80.2	38%	0.38	42%	0.424	S	S	.	.			trans	-62.9	-19.2	177	0	0	0	0	0	113.7	Y680 R681	A656-Y680 VanDerWaalsContact O-CD2 3.22Å; A656-Y680 WeakPolarHBondContact O-CD2 3.34Å; A656-R681 VanDerWaalsContact O-CB 3.31Å; A656-R681 WeakPolarHBondContact O-CB 3.46Å; A656-R681 PolarHBondContact O-N 2.83Å
657	G	83.7	Confident	80.8	Confident	22 Å²	22	74.6 Å²	74.6	23%	0.227	39%	0.386	C	S	.	.			trans	73.7	-166.1	178.1	0	0	0	0	0	114.9	E655 R681 K683	E655-G657 PolarHBondContact O-N 3.42Å; E655-G657 VanDerWaalsContact O-N 3.17Å; G657-R681 WeakPolarHBondContact O-CD 3.41Å; G657-K683 CarbonylContact C-O 3.54Å; G657-K683 VanDerWaalsContact CA-O 3.28Å; G657-K683 WeakPolarHBondContact CA-O 3.01Å
658	E	79.4	Confident	81.6	Confident	127 Å²	127	71.5 Å²	71.5	59%	0.593	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-113.8	145.5	179.8	-70.6	-177.9	177.9	0	0	111.7	R681 K683 K684	E658-R681 CarbonylContact O-C 3.57Å; E658-K683 PolarHBondContact N-O 3.48Å; E658-K683 WeakPolarHBondContact O-CB 3.37Å; E658-K683 PolarHBondContact O-N 3.31Å; E658-K683 VanDerWaalsContact O-N 3.11Å; E658-K684 HydrophobicContact CB-CB 4.29Å; E658-K684 HydrophobicContact CB-CG 4.11Å; E658-K684 HydrophobicContact CG-CB 4.28Å; E658-K684 HydrophobicContact CG-CG 4.15Å
659	G	79.1	Confident	81.9	Confident	32 Å²	32	70.5 Å²	70.5	33%	0.33	36%	0.36	S	S	.	.	S	Bend	trans	128.9	-177.8	-178.9	0	0	0	0	0	112.5	R681	G659-R681 WeakPolarHBondContact CA-O 3.46Å; G659-R681 WeakPolarHBondContact O-CD 3.32Å
660	N	78.6	Confident	81.5	Confident	167 Å²	167	73.4 Å²	73.4	89%	0.893	37%	0.373	S	S	*	.	S	Bend	trans	-115.9	14.9	-177.7	-64.6	-4.3	0	0	0	112.3
661	E	73.7	Confident	80.4	Confident	88 Å²	88	81.6 Å²	81.6	41%	0.411	41%	0.408	S	S	.	.			trans	-87.4	150.4	-178.8	-49.3	-77.8	-176.3	0	0	109.7	S634 L663 R681	S634-E661 PolarHBondContact OG-OE1 2.92Å; E661-L663 HydrophobicContact CB-CD1 4.39Å; E661-L663 HydrophobicContact CB-CG 4.13Å; E661-R681 WeakPolarHBondContact O-CA 3.43Å
662	E	79.2	Confident	79.4	Confident	174 Å²	174	81.1 Å²	81.1	81%	0.813	41%	0.408	S	S	*	.			trans	-119.7	74.8	175.9	-65.5	-169.7	154.4	0	0	109.7	V679	E662-V679 HydrophobicContact CB-CG1 3.91Å; E662-V679 HydrophobicContact CG-CG1 4.18Å
663	L	79.1	Confident	78.4	Confident	50 Å²	50	81.6 Å²	81.6	26%	0.262	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.8	-177.3	-57.2	174	0	0	0	109.9	E661 R665 Y680	E661-L663 HydrophobicContact CB-CD1 4.39Å; E661-L663 HydrophobicContact CB-CG 4.13Å; L663-R665 PolarHBondContact O-N 2.84Å; L663-Y680 WeakPolarHBondContact CB-O 3.22Å; L663-Y680 PolarHBondContact N-O 2.82Å; L663-Y680 PolarHBondContact O-N 3.34Å
664	E	86	Confident	77.9	Confident	129 Å²	129	79.1 Å²	79.1	60%	0.603	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.8	169.9	-171.9	177.1	-165.2	0	0	109.8	S677	E664-S677 WeakPolarHBondContact OE1-CB 3.49Å; E664-S677 PolarHBondContact OE1-OG 3.28Å; E664-S677 VanDerWaalsContact OE1-OG 3.05Å
665	R	90.3	Very high	77.7	Confident	14 Å²	14	76.7 Å²	76.7	5%	0.053	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	164.1	-179.8	-66.2	-63.7	177.9	82.1	0.6	109.5	I632 L663 S677 F678 Y680 N689 F690	I632-R665 PolarHBondContact O-NH1 3.18Å; I632-R665 PolarHBondContact O-NH2 3.22Å; L663-R665 PolarHBondContact O-N 2.84Å; R665-S677 CarbonylContact O-C 3.44Å; R665-S677 WeakPolarHBondContact O-CA 3.43Å; R665-S677 WeakPolarHBondContact O-CB 3.3Å; R665-F678 HydrophobicContact CB-CD1 3.97Å; R665-F678 HydrophobicContact CB-CE1 3.52Å; R665-F678 HydrophobicContact CB-CZ 3.99Å; R665-F678 PolarHBondContact N-O 3.14Å; R665-F678 WeakPolarHBondContact O-CD1 3.44Å; R665-F678 PolarHBondContact O-N 2.8Å; R665-Y680 HydrophobicContact CG-CD1 4.34Å; R665-Y680 HydrophobicContact CG-CG 4.29Å; R665-N689 WeakPolarHBondContact CD-OD1 3.47Å; R665-N689 VanDerWaalsContact CG-OD1 3.28Å; R665-N689 WeakPolarHBondContact CG-OD1 3.33Å; R665-N689 PolarHBondContact NH1-OD1 1.8Å; R665-F690 WeakPolarHBondContact CA-O 3.25Å; R665-F690 WeakPolarHBondContact CD-O 3.32Å
666	W	89.1	Confident	77.6	Confident	58 Å²	58	77.2 Å²	77.2	22%	0.22	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.5	179.4	-65.3	75.9	0	0	0	109.8	D676 F690 S692 K693 C696	W666-D676 CarbonylContact C-O 3.58Å; W666-D676 VanDerWaalsContact CA-O 3.26Å; W666-D676 WeakPolarHBondContact CA-O 3.36Å; W666-D676 VanDerWaalsContact CE3-C 3.46Å; W666-F690 HydrophobicContact CB-CB 4.38Å; W666-F690 PolarHBondContact N-O 2.78Å; W666-F690 WeakPolarHBondContact O-CD2 3.14Å; W666-F690 PolarHBondContact O-N 3.12Å; W666-S692 VanDerWaalsContact CD1-C 3.49Å; W666-K693 HydrophobicContact CD2-CB 3.65Å; W666-K693 HydrophobicContact CD2-CG 4.22Å; W666-K693 HydrophobicContact CE3-CB 3.62Å; W666-K693 HydrophobicContact CE3-CD 4.24Å; W666-K693 HydrophobicContact CE3-CG 3.65Å; W666-K693 HydrophobicContact CG-CB 4.29Å; W666-K693 VanDerWaalsContact CG-N 3.31Å; W666-K693 HydrophobicContact CH2-CB 4.1Å; W666-K693 HydrophobicContact CH2-CD 4.05Å; W666-K693 HydrophobicContact CH2-CG 4.26Å; W666-K693 HydrophobicContact CZ2-CB 4.11Å; W666-K693 HydrophobicContact CZ3-CB 3.85Å; W666-K693 HydrophobicContact CZ3-CD 3.73Å; W666-K693 HydrophobicContact CZ3-CG 3.68Å; W666-C696 HydrophobicContact CB-CB 4.11Å
667	Y	88.3	Confident	77.9	Confident	39 Å²	39	77.2 Å²	77.2	15%	0.153	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.1	175.7	78.6	-74.9	0	0	0	109.7	V654 D669 C675 D676 F678 N688	V654-Y667 HydrophobicContact CB-CD1 4.48Å; V654-Y667 HydrophobicContact CB-CD2 3.66Å; V654-Y667 HydrophobicContact CB-CE2 4.01Å; V654-Y667 HydrophobicContact CB-CG 3.9Å; V654-Y667 HydrophobicContact CG1-CD2 4.14Å; V654-Y667 HydrophobicContact CG1-CE2 3.95Å; V654-Y667 HydrophobicContact CG2-CD1 4.13Å; V654-Y667 HydrophobicContact CG2-CD2 4.12Å; V654-Y667 HydrophobicContact CG2-CG 3.82Å; Y667-D669 HydrophobicContact CE2-CB 4.08Å; Y667-C675 CarbonylContact O-C 3.53Å; Y667-C675 VanDerWaalsContact O-CA 3.23Å; Y667-C675 WeakPolarHBondContact O-CA 3.34Å; Y667-D676 WeakPolarHBondContact CD1-O 3.08Å; Y667-D676 HydrophobicContact CE1-CB 4.02Å; Y667-D676 PolarHBondContact N-O 3.39Å; Y667-D676 PolarHBondContact O-N 3.21Å; Y667-F678 HydrophobicContact CD1-CB 4.11Å; Y667-F678 AromaticContact CD1-CD1 3.71Å; Y667-F678 HydrophobicContact CD1-CD1 3.71Å; Y667-F678 HydrophobicContact CD1-CE1 4.49Å; Y667-F678 HydrophobicContact CD1-CG 4.2Å; Y667-F678 HydrophobicContact CE1-CB 4.24Å; Y667-F678 HydrophobicContact CG-CD1 4.22Å; Y667-N688 VanDerWaalsContact CB-O 3.27Å; Y667-N688 WeakPolarHBondContact CB-O 3.39Å
668	Y	81.4	Confident	78.2	Confident	17 Å²	17	77.5 Å²	77.5	7%	0.067	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.5	173.5	-172.3	-104.9	0	0	0	109.8	C650 N670 G673 N688 C696 C700	C650-Y668 HydrophobicContact CB-CD1 3.92Å; C650-Y668 HydrophobicContact CB-CG 4.28Å; Y668-N670 HydrophobicContact CD1-CB 4.39Å; Y668-N670 HydrophobicContact CE1-CB 4.39Å; Y668-N670 PolarHBondContact O-N 3.07Å; Y668-G673 WeakPolarHBondContact CE2-O 3.24Å; Y668-G673 WeakPolarHBondContact OH-CA 3.26Å; Y668-G673 PolarHBondContact OH-O 3.3Å; Y668-N688 PolarHBondContact N-OD1 2.96Å; Y668-N688 PolarHBondContact O-ND2 3.32Å; Y668-C696 PolarHBondContact N-SG 2.8Å; Y668-C700 VanDerWaalsContact CB-SG 3.57Å; Y668-C700 HydrophobicContact CD1-CB 4.18Å; Y668-C700 HydrophobicContact CD2-CB 3.54Å; Y668-C700 HydrophobicContact CE2-CB 4.26Å; Y668-C700 HydrophobicContact CG-CB 3.5Å; Y668-C700 VanDerWaalsContact CG-CB 3.5Å
669	D	78.3	Confident	78.5	Confident	26 Å²	26	75.3 Å²	75.3	14%	0.139	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	105.9	170.3	-171.3	-49.5	0	0	0	108.7	Y667 F671 Y672 G673 H674	Y667-D669 HydrophobicContact CE2-CB 4.08Å; D669-F671 PolarHBondContact O-N 2.75Å; D669-F671 VanDerWaalsContact OD1-CA 3.3Å; D669-F671 WeakPolarHBondContact OD1-CA 3.07Å; D669-F671 VanDerWaalsContact OD1-CB 3.25Å; D669-F671 WeakPolarHBondContact OD1-CB 3.32Å; D669-F671 PolarHBondContact OD1-N 2.8Å; D669-Y672 HydrophobicContact CB-CD2 4.48Å; D669-Y672 PolarHBondContact OD1-N 3.29Å; D669-Y672 WeakPolarHBondContact OD2-CD2 3.06Å; D669-G673 WeakPolarHBondContact O-CA 3.45Å; D669-G673 PolarHBondContact O-N 2.93Å; D669-H674 PolarHBondContact N-O 2.72Å
670	N	65	Low	79	Confident	108 Å²	108	73.9 Å²	73.9	58%	0.578	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.5	179.8	-178.6	84.1	0	0	0	113.5	Y668	Y668-N670 HydrophobicContact CD1-CB 4.39Å; Y668-N670 HydrophobicContact CE1-CB 4.39Å; Y668-N670 PolarHBondContact O-N 3.07Å
671	F	59.7	Low	79.3	Confident	173 Å²	173	72.4 Å²	72.4	76%	0.759	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-42.5	175.3	-177.7	-96.8	0	0	0	111.6	D669	D669-F671 PolarHBondContact O-N 2.75Å; D669-F671 VanDerWaalsContact OD1-CA 3.3Å; D669-F671 WeakPolarHBondContact OD1-CA 3.07Å; D669-F671 VanDerWaalsContact OD1-CB 3.25Å; D669-F671 WeakPolarHBondContact OD1-CB 3.32Å; D669-F671 PolarHBondContact OD1-N 2.8Å
672	Y	60.5	Low	79.5	Confident	157 Å²	157	68.2 Å²	68.2	62%	0.616	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-13.1	176.7	-61.5	-65.1	0	0	0	114.5	D669 H674	D669-Y672 HydrophobicContact CB-CD2 4.48Å; D669-Y672 PolarHBondContact OD1-N 3.29Å; D669-Y672 WeakPolarHBondContact OD2-CD2 3.06Å; Y672-H674 VanDerWaalsContact C-N 3.34Å; Y672-H674 PolarHBondContact O-N 2.8Å
673	G	61.1	Low	79.8	Confident	29 Å²	29	63.5 Å²	63.5	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	14.5	174.7	0	0	0	0	0	115.3	Y668 D669	Y668-G673 WeakPolarHBondContact CE2-O 3.24Å; Y668-G673 WeakPolarHBondContact OH-CA 3.26Å; Y668-G673 PolarHBondContact OH-O 3.3Å; D669-G673 WeakPolarHBondContact O-CA 3.45Å; D669-G673 PolarHBondContact O-N 2.93Å
674	H	71.1	Confident	80.1	Confident	89 Å²	89	64 Å²	64	41%	0.412	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	169.1	178.8	69.8	78	0	0	0	112.4	D669 Y672	D669-H674 PolarHBondContact N-O 2.72Å; Y672-H674 VanDerWaalsContact C-N 3.34Å; Y672-H674 PolarHBondContact O-N 2.8Å
675	C	82.6	Confident	79.9	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.3	170.8	-67.2	0	0	0	0	111.4	Y667 K693 C696 E697	Y667-C675 CarbonylContact O-C 3.53Å; Y667-C675 VanDerWaalsContact O-CA 3.23Å; Y667-C675 WeakPolarHBondContact O-CA 3.34Å; C675-K693 HydrophobicContact CB-CG 4.33Å; C675-C696 HydrophobicContact CB-CB 3.72Å; C675-C696 WeakPolarHBondContact CB-SG 3.36Å; C675-C696 WeakPolarHBondContact SG-CB 3.35Å; C675-C696 CovalentContact SG-SG 2.03Å; C675-C696 PolarHBondContact SG-SG 2.99Å; C675-E697 HydrophobicContact CB-CG 4.25Å; C675-E697 PolarHBondContact SG-N 2.61Å; C675-E697 VanDerWaalsContact SG-N 3.36Å
676	D	81.9	Confident	79.6	Confident	71 Å²	71	57.4 Å²	57.4	38%	0.38	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	166.4	177.5	-156.6	1.2	0	0	0	110.6	W666 Y667	W666-D676 CarbonylContact C-O 3.58Å; W666-D676 VanDerWaalsContact CA-O 3.26Å; W666-D676 WeakPolarHBondContact CA-O 3.36Å; W666-D676 VanDerWaalsContact CE3-C 3.46Å; Y667-D676 WeakPolarHBondContact CD1-O 3.08Å; Y667-D676 HydrophobicContact CE1-CB 4.02Å; Y667-D676 PolarHBondContact N-O 3.39Å; Y667-D676 PolarHBondContact O-N 3.21Å
677	S	87.4	Confident	79.5	Confident	46 Å²	46	55.4 Å²	55.4	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	151.5	-177.6	82.4	0	0	0	0	114.4	E664 R665	E664-S677 WeakPolarHBondContact OE1-CB 3.49Å; E664-S677 PolarHBondContact OE1-OG 3.28Å; E664-S677 VanDerWaalsContact OE1-OG 3.05Å; R665-S677 CarbonylContact O-C 3.44Å; R665-S677 WeakPolarHBondContact O-CA 3.43Å; R665-S677 WeakPolarHBondContact O-CB 3.3Å
678	F	90.5	Very high	79.4	Confident	28 Å²	28	53.6 Å²	53.6	12%	0.123	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.5	178.2	82.2	-74.8	0	0	0	111.5	V654 R665 Y667 Y680 N689	V654-F678 HydrophobicContact CG2-CB 4.36Å; V654-F678 HydrophobicContact CG2-CD1 3.77Å; V654-F678 HydrophobicContact CG2-CD2 3.48Å; V654-F678 VanDerWaalsContact CG2-CD2 3.48Å; V654-F678 HydrophobicContact CG2-CE1 3.78Å; V654-F678 HydrophobicContact CG2-CE2 3.5Å; V654-F678 HydrophobicContact CG2-CG 3.61Å; V654-F678 HydrophobicContact CG2-CZ 3.64Å; R665-F678 HydrophobicContact CB-CD1 3.97Å; R665-F678 HydrophobicContact CB-CE1 3.52Å; R665-F678 HydrophobicContact CB-CZ 3.99Å; R665-F678 PolarHBondContact N-O 3.14Å; R665-F678 WeakPolarHBondContact O-CD1 3.44Å; R665-F678 PolarHBondContact O-N 2.8Å; Y667-F678 HydrophobicContact CD1-CB 4.11Å; Y667-F678 AromaticContact CD1-CD1 3.71Å; Y667-F678 HydrophobicContact CD1-CD1 3.71Å; Y667-F678 HydrophobicContact CD1-CE1 4.49Å; Y667-F678 HydrophobicContact CD1-CG 4.2Å; Y667-F678 HydrophobicContact CE1-CB 4.24Å; Y667-F678 HydrophobicContact CG-CD1 4.22Å; F678-Y680 HydrophobicContact CE2-CD2 4.37Å; F678-N689 HydrophobicContact CE1-CB 4.48Å; F678-N689 HydrophobicContact CZ-CB 4.09Å
679	V	86.3	Confident	79.7	Confident	82 Å²	82	53.8 Å²	53.8	50%	0.497	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.8	178.8	-175.6	0	0	0	0	110.8	E662	E662-V679 HydrophobicContact CB-CG1 3.91Å; E662-V679 HydrophobicContact CG-CG1 4.18Å
680	Y	89	Confident	80.1	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.2	-179.7	-180	-121.7	0	0	0	112.9	H631 I632 A656 L663 R665 F678 G682 K683 G685 N689	H631-Y680 PolarHBondContact NE2-OH 3.22Å; I632-Y680 WeakPolarHBondContact O-CE1 3.02Å; A656-Y680 VanDerWaalsContact O-CD2 3.22Å; A656-Y680 WeakPolarHBondContact O-CD2 3.34Å; L663-Y680 WeakPolarHBondContact CB-O 3.22Å; L663-Y680 PolarHBondContact N-O 2.82Å; L663-Y680 PolarHBondContact O-N 3.34Å; R665-Y680 HydrophobicContact CG-CD1 4.34Å; R665-Y680 HydrophobicContact CG-CG 4.29Å; F678-Y680 HydrophobicContact CE2-CD2 4.37Å; Y680-G682 VanDerWaalsContact CE1-CA 3.42Å; Y680-G682 PolarHBondContact O-N 3.08Å; Y680-K683 WeakPolarHBondContact OH-CA 2.97Å; Y680-K683 PolarHBondContact OH-N 3.15Å; Y680-K683 PolarHBondContact OH-O 3.15Å; Y680-G685 WeakPolarHBondContact OH-CA 3.41Å; Y680-G685 PolarHBondContact OH-N 3.45Å; Y680-N689 WeakPolarHBondContact CD1-ND2 3.42Å; Y680-N689 WeakPolarHBondContact CD2-ND2 2.99Å; Y680-N689 VanDerWaalsContact CE2-ND2 3.33Å; Y680-N689 WeakPolarHBondContact CE2-ND2 3.4Å; Y680-N689 VanDerWaalsContact CG-ND2 3.26Å
681	R	84.3	Confident	80.8	Confident	137 Å²	137	51.9 Å²	51.9	52%	0.517	25%	0.252	S	S	.	.			trans	-85.5	-1.9	-172.8	-68.8	179.5	163.6	-179.2	-5.5	116.1	A656 G657 E658 G659 E661	A656-R681 VanDerWaalsContact O-CB 3.31Å; A656-R681 WeakPolarHBondContact O-CB 3.46Å; A656-R681 PolarHBondContact O-N 2.83Å; G657-R681 WeakPolarHBondContact O-CD 3.41Å; E658-R681 CarbonylContact O-C 3.57Å; G659-R681 WeakPolarHBondContact CA-O 3.46Å; G659-R681 WeakPolarHBondContact O-CD 3.32Å; E661-R681 WeakPolarHBondContact O-CA 3.43Å
682	G	79.3	Confident	81.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	99.5	-12.5	166.5	0	0	0	0	0	116.6	G633 S634 Y680	G633-G682 WeakPolarHBondContact CA-O 3.17Å; S634-G682 PolarHBondContact N-O 3.44Å; Y680-G682 VanDerWaalsContact CE1-CA 3.42Å; Y680-G682 PolarHBondContact O-N 3.08Å
683	K	85	Confident	82.6	Confident	75 Å²	75	42.9 Å²	42.9	33%	0.326	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-142.6	163.4	173.5	-60.1	170.9	-171.2	156.9	0	111.1	T638 G657 E658 Y680 G685	T638-K683 HydrophobicContact CG2-CG 4.45Å; G657-K683 CarbonylContact C-O 3.54Å; G657-K683 VanDerWaalsContact CA-O 3.28Å; G657-K683 WeakPolarHBondContact CA-O 3.01Å; E658-K683 PolarHBondContact N-O 3.48Å; E658-K683 WeakPolarHBondContact O-CB 3.37Å; E658-K683 PolarHBondContact O-N 3.31Å; E658-K683 VanDerWaalsContact O-N 3.11Å; Y680-K683 WeakPolarHBondContact OH-CA 2.97Å; Y680-K683 PolarHBondContact OH-N 3.15Å; Y680-K683 PolarHBondContact OH-O 3.15Å; K683-G685 PolarHBondContact O-N 3.43Å; K683-G685 VanDerWaalsContact O-N 3.12Å
684	K	84	Confident	83.1	Confident	59 Å²	59	46.5 Å²	46.5	26%	0.257	23%	0.234	S	C	.	.	S	Bend	trans	64.3	9.1	173	-58.9	-63.3	-170.3	169	0	116.3	P602 C603 R604 H631 E658	P602-K684 PolarHBondContact O-N 3.24Å; C603-K684 WeakPolarHBondContact O-CD 3.48Å; C603-K684 WeakPolarHBondContact O-CE 3.17Å; C603-K684 PolarHBondContact O-NZ 3.15Å; R604-K684 WeakPolarHBondContact CB-O 2.97Å; H631-K684 PolarHBondContact NE2-N 2.91Å; E658-K684 HydrophobicContact CB-CB 4.29Å; E658-K684 HydrophobicContact CB-CG 4.11Å; E658-K684 HydrophobicContact CG-CB 4.28Å; E658-K684 HydrophobicContact CG-CG 4.15Å
685	G	82.2	Confident	83.2	Confident	1 Å²	1	45 Å²	45	1%	0.01	23%	0.227	C	C	.	.			trans	-68	149.6	172.5	0	0	0	0	0	113.2	Y629 Y680 K683	Y629-G685 PolarHBondContact OH-O 3.14Å; Y680-G685 WeakPolarHBondContact OH-CA 3.41Å; Y680-G685 PolarHBondContact OH-N 3.45Å; K683-G685 PolarHBondContact O-N 3.43Å; K683-G685 VanDerWaalsContact O-N 3.12Å
686	N	84.5	Confident	83	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.027	23%	0.226	C	C	.	.			trans	-82.5	-166.5	172.8	71	16.5	0	0	0	111.7	N653 N688	N653-N686 PolarHBondContact O-ND2 3.15Å; N686-N688 PolarHBondContact OD1-N 2.95Å; N686-N688 VanDerWaalsContact OD1-N 3.1Å
687	Q	86	Confident	82.4	Confident	15 Å²	15	45.8 Å²	45.8	7%	0.07	23%	0.228	C	C	.	.	S	Bend	trans	-84.1	-11.2	-174	-59.8	97.7	-81.6	0	0	114.4	Y629 P649 Q652 N689	Y629-Q687 HydrophobicContact CD1-CG 3.6Å; Y629-Q687 HydrophobicContact CD2-CB 4.45Å; Y629-Q687 HydrophobicContact CD2-CG 3.61Å; Y629-Q687 HydrophobicContact CE1-CG 3.84Å; Y629-Q687 HydrophobicContact CE2-CG 3.83Å; Y629-Q687 HydrophobicContact CG-CG 3.48Å; Y629-Q687 VanDerWaalsContact CG-CG 3.48Å; P649-Q687 HydrophobicContact CB-CB 3.59Å; P649-Q687 HydrophobicContact CG-CB 3.75Å; Q652-Q687 VanDerWaalsContact OE1-N 3.1Å; Q687-N689 PolarHBondContact O-N 3.38Å
688	N	87.4	Confident	81.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.011	24%	0.244	C	C	.	.	S	Bend	trans	-83.4	55.4	175.8	-154.2	-2.3	0	0	0	111.1	P649 Q652 Y667 Y668 N686 F690	P649-N688 VanDerWaalsContact O-CB 3.28Å; P649-N688 WeakPolarHBondContact O-CB 2.99Å; Q652-N688 HydrophobicContact CB-CB 4.36Å; Q652-N688 PolarHBondContact O-ND2 2.83Å; Y667-N688 VanDerWaalsContact CB-O 3.27Å; Y667-N688 WeakPolarHBondContact CB-O 3.39Å; Y668-N688 PolarHBondContact N-OD1 2.96Å; Y668-N688 PolarHBondContact O-ND2 3.32Å; N686-N688 PolarHBondContact OD1-N 2.95Å; N686-N688 VanDerWaalsContact OD1-N 3.1Å; N688-F690 WeakPolarHBondContact OD1-CE2 3.02Å
689	N	88.3	Confident	80	Confident	21 Å²	21	51.5 Å²	51.5	11%	0.112	26%	0.26	C	S	.	.			trans	-150.9	95.8	-169.8	-177.9	-22.3	0	0	0	110.2	R665 F678 Y680 Q687	R665-N689 WeakPolarHBondContact CD-OD1 3.47Å; R665-N689 VanDerWaalsContact CG-OD1 3.28Å; R665-N689 WeakPolarHBondContact CG-OD1 3.33Å; R665-N689 PolarHBondContact NH1-OD1 1.8Å; F678-N689 HydrophobicContact CE1-CB 4.48Å; F678-N689 HydrophobicContact CZ-CB 4.09Å; Y680-N689 WeakPolarHBondContact CD1-ND2 3.42Å; Y680-N689 WeakPolarHBondContact CD2-ND2 2.99Å; Y680-N689 VanDerWaalsContact CE2-ND2 3.33Å; Y680-N689 WeakPolarHBondContact CE2-ND2 3.4Å; Y680-N689 VanDerWaalsContact CG-ND2 3.26Å; Q687-N689 PolarHBondContact O-N 3.38Å
690	F	86.4	Confident	79.2	Confident	22 Å²	22	47.7 Å²	47.7	10%	0.096	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-110.4	151.9	-173.7	-53.6	-77.2	0	0	0	111	R665 W666 N688 S692 E695 C696 A699 C700	R665-F690 WeakPolarHBondContact CA-O 3.25Å; R665-F690 WeakPolarHBondContact CD-O 3.32Å; W666-F690 HydrophobicContact CB-CB 4.38Å; W666-F690 PolarHBondContact N-O 2.78Å; W666-F690 WeakPolarHBondContact O-CD2 3.14Å; W666-F690 PolarHBondContact O-N 3.12Å; N688-F690 WeakPolarHBondContact OD1-CE2 3.02Å; F690-S692 VanDerWaalsContact C-N 3.34Å; F690-E695 HydrophobicContact CB-CB 4.49Å; F690-E695 HydrophobicContact CD1-CG 4.46Å; F690-C696 HydrophobicContact CB-CB 3.8Å; F690-C696 HydrophobicContact CD2-CB 3.4Å; F690-C696 VanDerWaalsContact CD2-SG 3.59Å; F690-C696 HydrophobicContact CE2-CB 4.14Å; F690-C696 HydrophobicContact CG-CB 3.67Å; F690-A699 HydrophobicContact CD1-CB 4.08Å; F690-A699 HydrophobicContact CE1-CB 3.34Å; F690-A699 HydrophobicContact CZ-CB 3.75Å; F690-C700 VanDerWaalsContact CZ-SG 3.5Å
691	V	79.6	Confident	77.6	Confident	71 Å²	71	49.9 Å²	49.9	43%	0.43	26%	0.255	S	S	.	.	S	Bend	trans	-79.5	-22.4	-176.9	-169.5	0	0	0	0	111.6	I632 E695	I632-V691 HydrophobicContact CD1-CG2 3.4Å; I632-V691 VanDerWaalsContact CD1-CG2 3.4Å; I632-V691 HydrophobicContact CG2-CG2 4.24Å; V691-E695 WeakPolarHBondContact CB-OE2 3.37Å; V691-E695 PolarHBondContact N-OE2 3.25Å
692	S	83.6	Confident	75.9	Confident	46 Å²	46	46.8 Å²	46.8	32%	0.322	25%	0.251	S	S	.	.	S	Bend	trans	-147.3	156.3	-179.6	65.9	0	0	0	0	112.2	W666 F690 L694 E695 C696	W666-S692 VanDerWaalsContact CD1-C 3.49Å; F690-S692 VanDerWaalsContact C-N 3.34Å; S692-L694 VanDerWaalsContact C-N 3.28Å; S692-L694 PolarHBondContact O-N 2.6Å; S692-E695 PolarHBondContact O-N 3.03Å; S692-E695 VanDerWaalsContact O-N 3.12Å; S692-E695 WeakPolarHBondContact OG-CB 3.39Å; S692-E695 PolarHBondContact OG-N 3.16Å; S692-C696 PolarHBondContact O-N 2.7Å; S692-C696 VanDerWaalsContact O-N 3.07Å
693	K	74.2	Confident	74.6	Confident	96 Å²	96	47.2 Å²	47.2	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-51.7	-46.4	174.5	-167.3	-178.3	-173.5	-166.9	0	112.3	W666 C675 E695 C696 E697	W666-K693 HydrophobicContact CD2-CB 3.65Å; W666-K693 HydrophobicContact CD2-CG 4.22Å; W666-K693 HydrophobicContact CE3-CB 3.62Å; W666-K693 HydrophobicContact CE3-CD 4.24Å; W666-K693 HydrophobicContact CE3-CG 3.65Å; W666-K693 HydrophobicContact CG-CB 4.29Å; W666-K693 VanDerWaalsContact CG-N 3.31Å; W666-K693 HydrophobicContact CH2-CB 4.1Å; W666-K693 HydrophobicContact CH2-CD 4.05Å; W666-K693 HydrophobicContact CH2-CG 4.26Å; W666-K693 HydrophobicContact CZ2-CB 4.11Å; W666-K693 HydrophobicContact CZ3-CB 3.85Å; W666-K693 HydrophobicContact CZ3-CD 3.73Å; W666-K693 HydrophobicContact CZ3-CG 3.68Å; C675-K693 HydrophobicContact CB-CG 4.33Å; K693-E695 VanDerWaalsContact C-N 3.32Å; K693-E695 PolarHBondContact O-N 3.42Å; K693-C696 WeakPolarHBondContact O-CB 3.46Å; K693-C696 PolarHBondContact O-N 3.27Å; K693-E697 WeakPolarHBondContact CE-OE1 3.45Å; K693-E697 HydrophobicContact CG-CG 4.36Å; K693-E697 IonicContact NZ-OE1 3.09Å; K693-E697 WeakPolarHBondContact O-CB 3.08Å; K693-E697 WeakPolarHBondContact O-CG 3.2Å; K693-E697 PolarHBondContact O-N 2.99Å
694	L	72.5	Confident	73.6	Confident	105 Å²	105	45.8 Å²	45.8	55%	0.55	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-39.4	179.6	-179.3	64.9	0	0	0	112.6	S692 E697 Q698	S692-L694 VanDerWaalsContact C-N 3.28Å; S692-L694 PolarHBondContact O-N 2.6Å; L694-E697 PolarHBondContact O-N 2.88Å; L694-Q698 WeakPolarHBondContact O-CB 3.36Å; L694-Q698 WeakPolarHBondContact O-CG 3.11Å; L694-Q698 PolarHBondContact O-N 3.38Å
695	E	71.5	Confident	72.7	Confident	57 Å²	57	43.2 Å²	43.2	27%	0.266	24%	0.24	S	C	.	.	H	α-helix	trans	-70.8	-37.8	179.2	-170.2	173.4	-121.2	0	0	111.3	F690 V691 S692 K693 A699	F690-E695 HydrophobicContact CB-CB 4.49Å; F690-E695 HydrophobicContact CD1-CG 4.46Å; V691-E695 WeakPolarHBondContact CB-OE2 3.37Å; V691-E695 PolarHBondContact N-OE2 3.25Å; S692-E695 PolarHBondContact O-N 3.03Å; S692-E695 VanDerWaalsContact O-N 3.12Å; S692-E695 WeakPolarHBondContact OG-CB 3.39Å; S692-E695 PolarHBondContact OG-N 3.16Å; K693-E695 VanDerWaalsContact C-N 3.32Å; K693-E695 PolarHBondContact O-N 3.42Å; E695-A699 VanDerWaalsContact O-CB 3.29Å; E695-A699 WeakPolarHBondContact O-CB 3.41Å; E695-A699 PolarHBondContact O-N 3.05Å
696	C	79.7	Confident	72.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-47.9	169.8	177.4	0	0	0	0	112	W666 Y668 C675 F690 S692 K693 Q698 A699 C700	W666-C696 HydrophobicContact CB-CB 4.11Å; Y668-C696 PolarHBondContact N-SG 2.8Å; C675-C696 HydrophobicContact CB-CB 3.72Å; C675-C696 WeakPolarHBondContact CB-SG 3.36Å; C675-C696 WeakPolarHBondContact SG-CB 3.35Å; C675-C696 CovalentContact SG-SG 2.03Å; C675-C696 PolarHBondContact SG-SG 2.99Å; F690-C696 HydrophobicContact CB-CB 3.8Å; F690-C696 HydrophobicContact CD2-CB 3.4Å; F690-C696 VanDerWaalsContact CD2-SG 3.59Å; F690-C696 HydrophobicContact CE2-CB 4.14Å; F690-C696 HydrophobicContact CG-CB 3.67Å; S692-C696 PolarHBondContact O-N 2.7Å; S692-C696 VanDerWaalsContact O-N 3.07Å; K693-C696 WeakPolarHBondContact O-CB 3.46Å; K693-C696 PolarHBondContact O-N 3.27Å; C696-Q698 VanDerWaalsContact C-N 3.25Å; C696-Q698 PolarHBondContact O-N 3.2Å; C696-A699 PolarHBondContact O-N 3.34Å; C696-C700 WeakPolarHBondContact O-CB 3.5Å; C696-C700 PolarHBondContact O-N 3.34Å
697	E	69.6	Low	70.9	Confident	92 Å²	92	46.1 Å²	46.1	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-33.7	179.5	-74.2	172.3	163.6	0	0	112	C675 K693 L694	C675-E697 HydrophobicContact CB-CG 4.25Å; C675-E697 PolarHBondContact SG-N 2.61Å; C675-E697 VanDerWaalsContact SG-N 3.36Å; K693-E697 WeakPolarHBondContact CE-OE1 3.45Å; K693-E697 HydrophobicContact CG-CG 4.36Å; K693-E697 IonicContact NZ-OE1 3.09Å; K693-E697 WeakPolarHBondContact O-CB 3.08Å; K693-E697 WeakPolarHBondContact O-CG 3.2Å; K693-E697 PolarHBondContact O-N 2.99Å; L694-E697 PolarHBondContact O-N 2.88Å
698	Q	63.7	Low	69.3	Low	139 Å²	139	51.5 Å²	51.5	65%	0.65	30%	0.3	S	S	*	.	H	α-helix	trans	-74.8	-39.7	174.5	-75	173.4	-7.2	0	0	113	L694 C696	L694-Q698 WeakPolarHBondContact O-CB 3.36Å; L694-Q698 WeakPolarHBondContact O-CG 3.11Å; L694-Q698 PolarHBondContact O-N 3.38Å; C696-Q698 VanDerWaalsContact C-N 3.25Å; C696-Q698 PolarHBondContact O-N 3.2Å
699	A	64.1	Low	68.4	Low	56 Å²	56	55.4 Å²	55.4	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-76.5	-35.6	-178.3	0	0	0	0	0	113.2	F690 E695 C696	F690-A699 HydrophobicContact CD1-CB 4.08Å; F690-A699 HydrophobicContact CE1-CB 3.34Å; F690-A699 HydrophobicContact CZ-CB 3.75Å; E695-A699 VanDerWaalsContact O-CB 3.29Å; E695-A699 WeakPolarHBondContact O-CB 3.41Å; E695-A699 PolarHBondContact O-N 3.05Å; C696-A699 PolarHBondContact O-N 3.34Å
700	C	69.6	Low	67.7	Low	1 Å²	1	61.7 Å²	61.7	1%	0.007	35%	0.35	C	S	.	.			trans	-109.2	27.2	-169.6	-66.6	0	0	0	0	115.2	C650 Y668 F690 C696 T702	C650-C700 HydrophobicContact CB-CB 3.56Å; C650-C700 WeakPolarHBondContact CB-SG 2.98Å; C650-C700 WeakPolarHBondContact SG-CA 3.01Å; C650-C700 WeakPolarHBondContact SG-CB 3.4Å; C650-C700 CovalentContact SG-SG 2.02Å; C650-C700 PolarHBondContact SG-SG 3.03Å; Y668-C700 VanDerWaalsContact CB-SG 3.57Å; Y668-C700 HydrophobicContact CD1-CB 4.18Å; Y668-C700 HydrophobicContact CD2-CB 3.54Å; Y668-C700 HydrophobicContact CE2-CB 4.26Å; Y668-C700 HydrophobicContact CG-CB 3.5Å; Y668-C700 VanDerWaalsContact CG-CB 3.5Å; F690-C700 VanDerWaalsContact CZ-SG 3.5Å; C696-C700 WeakPolarHBondContact O-CB 3.5Å; C696-C700 PolarHBondContact O-N 3.34Å; C700-T702 PolarHBondContact O-N 3.35Å
701	A	53.6	Low	67.2	Low	47 Å²	47	61 Å²	61	39%	0.388	35%	0.347	S	S	.	.			trans	-67.6	13	177.8	0	0	0	0	0	115.2	A703	A701-A703 PolarHBondContact O-N 3.15Å
702	T	50.3	Low	67.2	Low	73 Å²	73	58.6 Å²	58.6	45%	0.448	33%	0.333	S	S	.	.			trans	-72.6	36.7	168	24.9	0	0	0	0	112.9	C700	C700-T702 PolarHBondContact O-N 3.35Å
703	A	51.5	Low	67	Low	9 Å²	9	59 Å²	59	7%	0.074	34%	0.336	C	S	.	.			trans	-60.8	149.8	179.2	0	0	0	0	0	111.7	A701 P705 L788	A701-A703 PolarHBondContact O-N 3.15Å; A703-P705 WeakPolarHBondContact O-CD 3.32Å; A703-L788 HydrophobicContact CB-CD1 3.51Å; A703-L788 HydrophobicContact CB-CD2 4.13Å; A703-L788 HydrophobicContact CB-CG 4.28Å
704	N	63.7	Low	67.1	Low	45 Å²	45	57.5 Å²	57.5	24%	0.241	33%	0.332	C	S	.	.			trans	-66	110.4	167.8	177.9	6.5	0	0	0	109.8	C706 A707 N709 P711	N704-C706 PolarHBondContact O-N 3.42Å; N704-C706 PolarHBondContact OD1-N 3.38Å; N704-A707 PolarHBondContact O-N 3.23Å; N704-N709 PolarHBondContact ND2-O 2.88Å; N704-N709 PolarHBondContact OD1-O 2.8Å; N704-P711 WeakPolarHBondContact OD1-CD 3.24Å
705	P	65.7	Low	67.1	Low	4 Å²	4	62.2 Å²	62.2	3%	0.026	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.6	-176.2	-13.1	30.8	0	0	0	113	A703 H736 V745 L788	A703-P705 WeakPolarHBondContact O-CD 3.32Å; P705-H736 VanDerWaalsContact CB-CE1 3.44Å; P705-H736 WeakPolarHBondContact CB-CE1 3.15Å; P705-H736 WeakPolarHBondContact CB-ND1 3.43Å; P705-V745 HydrophobicContact CB-CG2 4.31Å; P705-V745 HydrophobicContact CG-CG2 3.86Å; P705-L788 HydrophobicContact CB-CD2 4.07Å; P705-L788 HydrophobicContact CG-CD2 4Å
706	C	70.9	Confident	66.7	Low	11 Å²	11	64.3 Å²	64.3	7%	0.074	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.7	-174.7	-49.2	0	0	0	0	113.6	N704 N709 P711 C747	N704-C706 PolarHBondContact O-N 3.42Å; N704-C706 PolarHBondContact OD1-N 3.38Å; C706-N709 CarbonylContact C-O 3.53Å; C706-N709 VanDerWaalsContact CB-O 3.27Å; C706-N709 WeakPolarHBondContact CB-O 3.3Å; C706-N709 CarbonylContact O-C 3.37Å; C706-N709 WeakPolarHBondContact O-CA 3.08Å; C706-N709 PolarHBondContact O-N 2.95Å; C706-P711 HydrophobicContact CB-CG 4.46Å; C706-P711 VanDerWaalsContact SG-CA 3.56Å; C706-C747 WeakPolarHBondContact CA-SG 3.17Å; C706-C747 HydrophobicContact CB-CB 3.59Å; C706-C747 WeakPolarHBondContact CB-SG 3.5Å; C706-C747 WeakPolarHBondContact SG-CA 3.33Å; C706-C747 WeakPolarHBondContact SG-CB 3.46Å; C706-C747 CovalentContact SG-SG 2.03Å; C706-C747 PolarHBondContact SG-SG 3.38Å
707	A	56.9	Low	65.8	Low	56 Å²	56	67.1 Å²	67.1	46%	0.463	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	136.2	-172.1	0	0	0	0	0	112.4	N704 N709	N704-A707 PolarHBondContact O-N 3.23Å; A707-N709 PolarHBondContact N-O 2.88Å
708	P	52.3	Low	65.8	Low	128 Å²	128	71.5 Å²	71.5	83%	0.831	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	cis	-79.2	-6.8	9.7	33.2	-37.8	0	0	0	115.2
709	N	68.5	Low	66.2	Low	84 Å²	84	68.7 Å²	68.7	45%	0.449	40%	0.395	S	S	.	.	S	Bend	trans	-85.5	161.2	-178.4	-54.7	-47.2	0	0	0	111.9	N704 C706 A707 P748	N704-N709 PolarHBondContact ND2-O 2.88Å; N704-N709 PolarHBondContact OD1-O 2.8Å; C706-N709 CarbonylContact C-O 3.53Å; C706-N709 VanDerWaalsContact CB-O 3.27Å; C706-N709 WeakPolarHBondContact CB-O 3.3Å; C706-N709 CarbonylContact O-C 3.37Å; C706-N709 WeakPolarHBondContact O-CA 3.08Å; C706-N709 PolarHBondContact O-N 2.95Å; A707-N709 PolarHBondContact N-O 2.88Å; N709-P748 HydrophobicContact CB-CG 3.68Å
710	E	74.8	Confident	67	Low	153 Å²	153	68 Å²	68	72%	0.715	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-87.8	154.3	172.6	-67.7	-157.3	168.6	0	0	113.2
711	P	75.6	Confident	67.6	Low	7 Å²	7	72.9 Å²	72.9	5%	0.045	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-68.6	147.1	171.5	-11.3	27.7	0	0	0	111.2	N704 C706 S713 K719 V745 C746	N704-P711 WeakPolarHBondContact OD1-CD 3.24Å; C706-P711 HydrophobicContact CB-CG 4.46Å; C706-P711 VanDerWaalsContact SG-CA 3.56Å; P711-S713 PolarHBondContact O-N 3.24Å; P711-K719 HydrophobicContact CB-CD 4.31Å; P711-K719 HydrophobicContact CB-CG 4.45Å; P711-K719 HydrophobicContact CG-CD 4.12Å; P711-V745 HydrophobicContact CB-CB 4.23Å; P711-V745 HydrophobicContact CB-CG2 3.99Å; P711-V745 HydrophobicContact CG-CG2 4.25Å; P711-C746 WeakPolarHBondContact CA-O 3.34Å
712	V	79.7	Confident	68.6	Low	22 Å²	22	71.3 Å²	71.3	13%	0.133	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-57.4	132.8	177.4	-170.6	0	0	0	0	110.3	K719 I720 P730 Y733 C746	V712-K719 CarbonylContact O-C 2.89Å; V712-K719 WeakPolarHBondContact O-CA 3.47Å; V712-I720 HydrophobicContact CB-CB 4.48Å; V712-I720 HydrophobicContact CB-CD1 4.19Å; V712-I720 HydrophobicContact CB-CG1 4.36Å; V712-I720 HydrophobicContact CG1-CD1 3.58Å; V712-I720 HydrophobicContact CG1-CG1 4.16Å; V712-I720 PolarHBondContact O-N 2.77Å; V712-P730 HydrophobicContact CG1-CG 4.39Å; V712-Y733 HydrophobicContact CG2-CD1 3.04Å; V712-Y733 HydrophobicContact CG2-CD2 3.95Å; V712-Y733 HydrophobicContact CG2-CE1 3.25Å; V712-Y733 HydrophobicContact CG2-CE2 4.11Å; V712-Y733 HydrophobicContact CG2-CG 3.43Å; V712-Y733 VanDerWaalsContact CG2-CG 3.43Å; V712-C746 HydrophobicContact CB-CB 4.24Å; V712-C746 HydrophobicContact CG2-CB 3.96Å; V712-C746 PolarHBondContact N-O 2.83Å
713	S	79.3	Confident	69.7	Low	55 Å²	55	70.8 Å²	70.8	39%	0.385	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-109.9	146.9	169	-63.3	0	0	0	0	110.8	P711 R718	P711-S713 PolarHBondContact O-N 3.24Å; S713-R718 CarbonylContact C-O 3.6Å; S713-R718 VanDerWaalsContact CA-O 3.25Å; S713-R718 WeakPolarHBondContact CA-O 3.28Å
714	D	75.3	Confident	70.2	Confident	63 Å²	63	72.9 Å²	72.9	34%	0.337	41%	0.405	S	S	.	.			trans	-69.2	174.1	170.1	72.7	15.6	0	0	0	111.8	T716 G717 R718	D714-T716 PolarHBondContact O-N 2.97Å; D714-T716 VanDerWaalsContact OD1-CA 3.26Å; D714-T716 WeakPolarHBondContact OD1-CA 3.48Å; D714-T716 WeakPolarHBondContact OD1-CB 3.32Å; D714-T716 PolarHBondContact OD1-N 2.83Å; D714-T716 PolarHBondContact OD1-OG1 3.34Å; D714-T716 PolarHBondContact OD2-OG1 3.28Å; D714-G717 PolarHBondContact O-N 3.41Å; D714-G717 PolarHBondContact OD1-N 2.73Å; D714-G717 VanDerWaalsContact OD1-N 3.13Å; D714-R718 PolarHBondContact N-O 2.81Å; D714-R718 PolarHBondContact OD1-N 3.49Å
715	Q	73.8	Confident	69.9	Low	204 Å²	204	78.4 Å²	78.4	95%	0.953	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-2	176.9	52	-173.3	-31	0	0	115
716	T	63	Low	69.4	Low	102 Å²	102	79.8 Å²	79.8	63%	0.626	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	2.8	171.1	73.5	0	0	0	0	113.5	D714	D714-T716 PolarHBondContact O-N 2.97Å; D714-T716 VanDerWaalsContact OD1-CA 3.26Å; D714-T716 WeakPolarHBondContact OD1-CA 3.48Å; D714-T716 WeakPolarHBondContact OD1-CB 3.32Å; D714-T716 PolarHBondContact OD1-N 2.83Å; D714-T716 PolarHBondContact OD1-OG1 3.34Å; D714-T716 PolarHBondContact OD2-OG1 3.28Å
717	G	60.9	Low	68.7	Low	58 Å²	58	83.6 Å²	83.6	60%	0.598	48%	0.476	S	S	*	.	S	Bend	trans	81.5	17.4	-178	0	0	0	0	0	114.4	D714	D714-G717 PolarHBondContact O-N 3.41Å; D714-G717 PolarHBondContact OD1-N 2.73Å; D714-G717 VanDerWaalsContact OD1-N 3.13Å
718	R	69.5	Low	69.4	Low	184 Å²	184	84.6 Å²	84.6	69%	0.694	47%	0.474	S	S	*	.			trans	-97	132.1	176.6	-68.2	177.3	167.9	-177.9	-2.7	111.2	S713 D714 I720	S713-R718 CarbonylContact C-O 3.6Å; S713-R718 VanDerWaalsContact CA-O 3.25Å; S713-R718 WeakPolarHBondContact CA-O 3.28Å; D714-R718 PolarHBondContact N-O 2.81Å; D714-R718 PolarHBondContact OD1-N 3.49Å; R718-I720 PolarHBondContact O-N 3.38Å
719	K	71.2	Confident	70.6	Confident	81 Å²	81	79.8 Å²	79.8	35%	0.352	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-57.5	134.7	177.5	-64.5	-177.4	177.8	-174.5	0	111.7	P711 V712 F721	P711-K719 HydrophobicContact CB-CD 4.31Å; P711-K719 HydrophobicContact CB-CG 4.45Å; P711-K719 HydrophobicContact CG-CD 4.12Å; V712-K719 CarbonylContact O-C 2.89Å; V712-K719 WeakPolarHBondContact O-CA 3.47Å; K719-F721 PolarHBondContact O-N 3.49Å
720	I	80.7	Confident	71.1	Confident	41 Å²	41	78.3 Å²	78.3	21%	0.21	44%	0.438	C	S	.	.			trans	-81.1	107.8	175.2	-54.8	-174.8	0	0	0	108.8	V712 R718 P730 V745 C746	V712-I720 HydrophobicContact CB-CB 4.48Å; V712-I720 HydrophobicContact CB-CD1 4.19Å; V712-I720 HydrophobicContact CB-CG1 4.36Å; V712-I720 HydrophobicContact CG1-CD1 3.58Å; V712-I720 HydrophobicContact CG1-CG1 4.16Å; V712-I720 PolarHBondContact O-N 2.77Å; R718-I720 PolarHBondContact O-N 3.38Å; I720-P730 HydrophobicContact CD1-CG 4.24Å; I720-V745 WeakPolarHBondContact O-CA 3.49Å; I720-C746 PolarHBondContact O-N 2.85Å; I720-C746 VanDerWaalsContact O-N 3.08Å
721	F	81.6	Confident	71.2	Confident	103 Å²	103	78.1 Å²	78.1	45%	0.452	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-78.2	148.4	171.2	-60.8	-73.6	0	0	0	110.9	K719 N728 P741 T744 V745	K719-F721 PolarHBondContact O-N 3.49Å; F721-N728 PolarHBondContact O-ND2 3.08Å; F721-P741 VanDerWaalsContact CD1-O 3.27Å; F721-P741 WeakPolarHBondContact CD1-O 3.11Å; F721-T744 WeakPolarHBondContact CA-O 3.44Å; F721-V745 HydrophobicContact CD1-CG1 3.5Å; F721-V745 VanDerWaalsContact CD1-CG1 3.5Å; F721-V745 HydrophobicContact CE1-CG1 3.67Å; F721-V745 HydrophobicContact CG-CG1 4.45Å
722	C	75.6	Confident	71	Confident	14 Å²	14	80 Å²	80	10%	0.095	47%	0.468	C	S	.	.			trans	-126.6	169.1	-178.8	55.8	0	0	0	0	113.7	N728 C735 T744	C722-N728 WeakPolarHBondContact CA-OD1 3.35Å; C722-N728 WeakPolarHBondContact CB-OD1 3.25Å; C722-C735 HydrophobicContact CB-CB 3.72Å; C722-C735 WeakPolarHBondContact CB-SG 3.28Å; C722-C735 WeakPolarHBondContact SG-CA 3.11Å; C722-C735 WeakPolarHBondContact SG-CB 3.14Å; C722-C735 CovalentContact SG-SG 2.03Å; C722-C735 PolarHBondContact SG-SG 2.04Å; C722-T744 PolarHBondContact N-O 2.84Å; C722-T744 WeakPolarHBondContact O-CG2 3.44Å
723	T	72.5	Confident	71.2	Confident	63 Å²	63	83.4 Å²	83.4	39%	0.387	48%	0.479	S	S	.	.			trans	-95.9	161.4	174	74.7	0	0	0	0	111.2	E725 G726 C735	T723-E725 WeakPolarHBondContact CB-OE2 3.3Å; T723-E725 PolarHBondContact O-N 3Å; T723-E725 PolarHBondContact OG1-N 2.8Å; T723-E725 PolarHBondContact OG1-OE2 3.02Å; T723-G726 PolarHBondContact O-N 2.86Å; T723-C735 PolarHBondContact O-SG 2.88Å
724	A	62.1	Low	71.1	Confident	52 Å²	52	82.1 Å²	82.1	43%	0.43	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.5	177.7	0	0	0	0	0	113.5	G726 V737 I796	A724-G726 VanDerWaalsContact C-N 3.33Å; A724-V737 HydrophobicContact CB-CG1 4.37Å; A724-V737 HydrophobicContact CB-CG2 4.48Å; A724-I796 HydrophobicContact CB-CD1 4.23Å
725	E	57.6	Low	71.5	Confident	161 Å²	161	79.9 Å²	79.9	75%	0.752	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.8	169.9	-52.7	89.5	-176.1	0	0	114.2	T723 A727	T723-E725 WeakPolarHBondContact CB-OE2 3.3Å; T723-E725 PolarHBondContact O-N 3Å; T723-E725 PolarHBondContact OG1-N 2.8Å; T723-E725 PolarHBondContact OG1-OE2 3.02Å; E725-A727 VanDerWaalsContact C-N 3.35Å; E725-A727 PolarHBondContact O-N 3.25Å
726	G	55.8	Low	71.8	Confident	34 Å²	34	70.2 Å²	70.2	35%	0.351	41%	0.409	S	S	.	.			trans	77	7.3	171	0	0	0	0	0	116.8	T723 A724 N728	T723-G726 PolarHBondContact O-N 2.86Å; A724-G726 VanDerWaalsContact C-N 3.33Å; G726-N728 VanDerWaalsContact C-N 3.35Å; G726-N728 PolarHBondContact O-N 2.85Å; G726-N728 VanDerWaalsContact O-N 3.12Å
727	A	56.2	Low	72.6	Confident	90 Å²	90	66.6 Å²	66.6	74%	0.744	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	7.6	-156.7	0	0	0	0	0	117.9	E725	E725-A727 VanDerWaalsContact C-N 3.35Å; E725-A727 PolarHBondContact O-N 3.25Å
728	N	70.7	Confident	73.4	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.2	15.1	-173.2	71	-36.7	0	0	0	115.6	F721 C722 G726	F721-N728 PolarHBondContact O-ND2 3.08Å; C722-N728 WeakPolarHBondContact CA-OD1 3.35Å; C722-N728 WeakPolarHBondContact CB-OD1 3.25Å; G726-N728 VanDerWaalsContact C-N 3.35Å; G726-N728 PolarHBondContact O-N 2.85Å; G726-N728 VanDerWaalsContact O-N 3.12Å
729	C	78	Confident	73.5	Confident	27 Å²	27	57.6 Å²	57.6	18%	0.182	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-81.9	142.4	170.2	-66.5	0	0	0	0	111.9	C746	C729-C746 WeakPolarHBondContact CA-SG 3.32Å; C729-C746 HydrophobicContact CB-CB 3.78Å; C729-C746 WeakPolarHBondContact CB-SG 3.2Å; C729-C746 WeakPolarHBondContact SG-CA 3.36Å; C729-C746 WeakPolarHBondContact SG-CB 3.17Å; C729-C746 CovalentContact SG-SG 2.04Å; C729-C746 PolarHBondContact SG-SG 2.93Å
730	P	79.4	Confident	73.5	Confident	54 Å²	54	57.4 Å²	57.4	35%	0.351	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-63.6	159.1	174.1	-21.1	33.7	0	0	0	112.5	V712 I720 G732 Y733	V712-P730 HydrophobicContact CG1-CG 4.39Å; I720-P730 HydrophobicContact CD1-CG 4.24Å; P730-G732 PolarHBondContact O-N 3.36Å; P730-Y733 HydrophobicContact CB-CD2 3.97Å; P730-Y733 HydrophobicContact CB-CE2 4.45Å; P730-Y733 WeakPolarHBondContact O-CB 3.28Å; P730-Y733 PolarHBondContact O-N 2.88Å
731	V	76	Confident	73.1	Confident	148 Å²	148	60.6 Å²	60.6	90%	0.897	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	134.2	176.4	-179.6	0	0	0	0	110.6	Y733	V731-Y733 WeakPolarHBondContact O-CD2 3.06Å
732	G	73	Confident	72.6	Confident	47 Å²	47	62.6 Å²	62.6	49%	0.485	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	1.1	-172.7	0	0	0	0	0	114.6	P730 G749	P730-G732 PolarHBondContact O-N 3.36Å; G732-G749 PolarHBondContact O-N 3.13Å
733	Y	82.7	Confident	72.5	Confident	93 Å²	93	62.6 Å²	62.6	37%	0.365	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.6	178.7	-54.5	-93.9	0	0	0	111.1	V712 P730 V731 C747 P748	V712-Y733 HydrophobicContact CG2-CD1 3.04Å; V712-Y733 HydrophobicContact CG2-CD2 3.95Å; V712-Y733 HydrophobicContact CG2-CE1 3.25Å; V712-Y733 HydrophobicContact CG2-CE2 4.11Å; V712-Y733 HydrophobicContact CG2-CG 3.43Å; V712-Y733 VanDerWaalsContact CG2-CG 3.43Å; P730-Y733 HydrophobicContact CB-CD2 3.97Å; P730-Y733 HydrophobicContact CB-CE2 4.45Å; P730-Y733 WeakPolarHBondContact O-CB 3.28Å; P730-Y733 PolarHBondContact O-N 2.88Å; V731-Y733 WeakPolarHBondContact O-CD2 3.06Å; Y733-C747 CarbonylContact C-O 3.51Å; Y733-C747 WeakPolarHBondContact CA-O 3.23Å; Y733-C747 WeakPolarHBondContact CB-O 3.49Å; Y733-P748 VanDerWaalsContact CD1-CA 3.44Å; Y733-P748 HydrophobicContact CD1-CB 3.93Å; Y733-P748 HydrophobicContact CD1-CG 3.95Å; Y733-P748 HydrophobicContact CE1-CB 3.9Å; Y733-P748 HydrophobicContact CE1-CG 3.77Å
734	W	78.5	Confident	73	Confident	29 Å²	29	60.2 Å²	60.2	11%	0.11	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	155.9	177	69.7	-77.4	0	0	0	110.4	H736 C746 C747 V751 N791 Q792	W734-H736 HydrophobicContact CH2-CB 3.95Å; W734-H736 HydrophobicContact CZ2-CB 4.19Å; W734-H736 HydrophobicContact CZ3-CB 4.18Å; W734-H736 PolarHBondContact O-N 3.4Å; W734-C746 WeakPolarHBondContact O-CA 3.41Å; W734-C747 HydrophobicContact CZ2-CB 4.5Å; W734-C747 PolarHBondContact N-O 3.26Å; W734-C747 PolarHBondContact O-N 3.35Å; W734-V751 HydrophobicContact CB-CG2 4.32Å; W734-N791 WeakPolarHBondContact CH2-O 3.1Å; W734-Q792 HydrophobicContact CB-CG 4.31Å; W734-Q792 HydrophobicContact CD2-CG 3.61Å; W734-Q792 HydrophobicContact CE3-CG 4.03Å; W734-Q792 HydrophobicContact CG-CG 3.7Å; W734-Q792 HydrophobicContact CZ2-CG 4.39Å
735	C	81.8	Confident	74	Confident	15 Å²	15	57.9 Å²	57.9	10%	0.101	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	104.5	175.3	-176.9	0	0	0	0	110.8	C722 T723 V737	C722-C735 HydrophobicContact CB-CB 3.72Å; C722-C735 WeakPolarHBondContact CB-SG 3.28Å; C722-C735 WeakPolarHBondContact SG-CA 3.11Å; C722-C735 WeakPolarHBondContact SG-CB 3.14Å; C722-C735 CovalentContact SG-SG 2.03Å; C722-C735 PolarHBondContact SG-SG 2.04Å; T723-C735 PolarHBondContact O-SG 2.88Å; C735-V737 PolarHBondContact O-N 3.45Å
736	H	82	Confident	75.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	111.7	165.3	169	-72.6	0	0	0	108.2	P705 W734 T743 T744 V745 C747 Y785 G787	P705-H736 VanDerWaalsContact CB-CE1 3.44Å; P705-H736 WeakPolarHBondContact CB-CE1 3.15Å; P705-H736 WeakPolarHBondContact CB-ND1 3.43Å; W734-H736 HydrophobicContact CH2-CB 3.95Å; W734-H736 HydrophobicContact CZ2-CB 4.19Å; W734-H736 HydrophobicContact CZ3-CB 4.18Å; W734-H736 PolarHBondContact O-N 3.4Å; H736-T743 PolarHBondContact CE1-O 2.7Å; H736-T743 PolarHBondContact ND1-O 2.9Å; H736-T744 CarbonylContact O-C 3.56Å; H736-T744 WeakPolarHBondContact O-CA 3.49Å; H736-V745 PolarHBondContact N-O 3.05Å; H736-V745 PolarHBondContact O-N 2.89Å; H736-V745 VanDerWaalsContact O-N 3.1Å; H736-C747 HydrophobicContact CB-CB 4.31Å; H736-C747 WeakPolarHBondContact CB-SG 3.29Å; H736-Y785 AromaticContact NE2-CZ 3.77Å; H736-Y785 PolarHBondContact NE2-OH 3.26Å; H736-G787 PolarHBondContact CE1-O 3.47Å; H736-G787 VanDerWaalsContact CE1-O 3.3Å
737	V	79.3	Confident	76.5	Confident	27 Å²	27	48.7 Å²	48.7	16%	0.164	30%	0.297	C	S	.	.			trans	-89.3	109.7	174.6	-171.5	0	0	0	0	109.7	A724 C735 T744 R770	A724-V737 HydrophobicContact CB-CG1 4.37Å; A724-V737 HydrophobicContact CB-CG2 4.48Å; C735-V737 PolarHBondContact O-N 3.45Å; V737-T744 HydrophobicContact CG1-CG2 4.36Å; V737-T744 HydrophobicContact CG2-CG2 4.46Å; V737-R770 VanDerWaalsContact O-CZ 3.28Å; V737-R770 PolarHBondContact O-NH1 3.33Å; V737-R770 PolarHBondContact O-NH2 3.08Å
738	G	76.9	Confident	77.6	Confident	6 Å²	6	46.3 Å²	46.3	6%	0.062	27%	0.274	C	S	.	.			trans	-88.2	-154.3	179.9	0	0	0	0	0	114.1	T743 T744 L768 R770	G738-T743 WeakPolarHBondContact CA-O 3.29Å; G738-T743 WeakPolarHBondContact CA-OG1 3.37Å; G738-T743 PolarHBondContact N-O 3.4Å; G738-T744 PolarHBondContact N-OG1 2.89Å; G738-L768 WeakPolarHBondContact O-CD1 3.44Å; G738-R770 PolarHBondContact O-NH2 3.31Å
739	A	71.8	Confident	77.4	Confident	46 Å²	46	43.7 Å²	43.7	38%	0.38	27%	0.265	S	S	.	.	S	Bend	trans	-86.2	-20.9	177.8	0	0	0	0	0	113.4	T743 S766 L768	A739-T743 PolarHBondContact N-OG1 2.96Å; A739-S766 VanDerWaalsContact CB-OG 3.32Å; A739-S766 WeakPolarHBondContact CB-OG 3.32Å; A739-L768 HydrophobicContact CB-CD1 3.94Å; A739-L768 HydrophobicContact CB-CD2 4.14Å; A739-L768 HydrophobicContact CB-CG 4.45Å
740	N	71.8	Confident	76.6	Confident	78 Å²	78	47.8 Å²	47.8	42%	0.417	29%	0.286	S	S	.	.	S	Bend	trans	-147.4	168	-176.5	60	39.6	0	0	0	109.9	Q742 T743 T744	N740-Q742 PolarHBondContact O-N 3.28Å; N740-Q742 VanDerWaalsContact O-N 3.15Å; N740-Q742 PolarHBondContact OD1-N 3.48Å; N740-Q742 VanDerWaalsContact OD1-N 3.16Å; N740-T743 PolarHBondContact N-OG1 2.81Å; N740-T743 VanDerWaalsContact N-OG1 3.12Å; N740-T743 PolarHBondContact O-N 3.49Å; N740-T743 VanDerWaalsContact O-N 3.1Å; N740-T743 PolarHBondContact O-OG1 2.85Å; N740-T743 PolarHBondContact OD1-N 3.3Å; N740-T743 PolarHBondContact OD1-OG1 3.03Å; N740-T744 PolarHBondContact O-N 3Å; N740-T744 PolarHBondContact O-OG1 2.82Å
741	P	72	Confident	75.6	Confident	108 Å²	108	49.5 Å²	49.5	70%	0.701	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.9	179.2	-28.3	36.9	0	0	0	114.3	F721 T743 T744	F721-P741 VanDerWaalsContact CD1-O 3.27Å; F721-P741 WeakPolarHBondContact CD1-O 3.11Å; P741-T743 VanDerWaalsContact C-N 3.34Å; P741-T743 PolarHBondContact O-N 2.92Å; P741-T744 PolarHBondContact O-N 2.85Å
742	Q	70.4	Confident	74.6	Confident	145 Å²	145	46.4 Å²	46.4	68%	0.678	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-75.1	-21.3	179.2	-64.8	-159.3	2.5	0	0	114.2	N740	N740-Q742 PolarHBondContact O-N 3.28Å; N740-Q742 VanDerWaalsContact O-N 3.15Å; N740-Q742 PolarHBondContact OD1-N 3.48Å; N740-Q742 VanDerWaalsContact OD1-N 3.16Å
743	T	73.5	Confident	74.1	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.08	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-97.8	5.5	172.8	48.6	0	0	0	0	112.1	H736 G738 A739 N740 P741 L788	H736-T743 PolarHBondContact CE1-O 2.7Å; H736-T743 PolarHBondContact ND1-O 2.9Å; G738-T743 WeakPolarHBondContact CA-O 3.29Å; G738-T743 WeakPolarHBondContact CA-OG1 3.37Å; G738-T743 PolarHBondContact N-O 3.4Å; A739-T743 PolarHBondContact N-OG1 2.96Å; N740-T743 PolarHBondContact N-OG1 2.81Å; N740-T743 VanDerWaalsContact N-OG1 3.12Å; N740-T743 PolarHBondContact O-N 3.49Å; N740-T743 VanDerWaalsContact O-N 3.1Å; N740-T743 PolarHBondContact O-OG1 2.85Å; N740-T743 PolarHBondContact OD1-N 3.3Å; N740-T743 PolarHBondContact OD1-OG1 3.03Å; P741-T743 VanDerWaalsContact C-N 3.34Å; P741-T743 PolarHBondContact O-N 2.92Å; T743-L788 HydrophobicContact CG2-CD2 3.8Å
744	T	83	Confident	73.6	Confident	14 Å²	14	45 Å²	45	9%	0.086	27%	0.27	C	S	.	.			trans	-101.3	87.7	176.9	-55.8	0	0	0	0	110.1	F721 C722 H736 V737 G738 N740 P741	F721-T744 WeakPolarHBondContact CA-O 3.44Å; C722-T744 PolarHBondContact N-O 2.84Å; C722-T744 WeakPolarHBondContact O-CG2 3.44Å; H736-T744 CarbonylContact O-C 3.56Å; H736-T744 WeakPolarHBondContact O-CA 3.49Å; V737-T744 HydrophobicContact CG1-CG2 4.36Å; V737-T744 HydrophobicContact CG2-CG2 4.46Å; G738-T744 PolarHBondContact N-OG1 2.89Å; N740-T744 PolarHBondContact O-N 3Å; N740-T744 PolarHBondContact O-OG1 2.82Å; P741-T744 PolarHBondContact O-N 2.85Å
745	V	83.2	Confident	73.7	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.9	-167.5	-67.1	0	0	0	0	112.5	P705 P711 I720 F721 H736 C747	P705-V745 HydrophobicContact CB-CG2 4.31Å; P705-V745 HydrophobicContact CG-CG2 3.86Å; P711-V745 HydrophobicContact CB-CB 4.23Å; P711-V745 HydrophobicContact CB-CG2 3.99Å; P711-V745 HydrophobicContact CG-CG2 4.25Å; I720-V745 WeakPolarHBondContact O-CA 3.49Å; F721-V745 HydrophobicContact CD1-CG1 3.5Å; F721-V745 VanDerWaalsContact CD1-CG1 3.5Å; F721-V745 HydrophobicContact CE1-CG1 3.67Å; F721-V745 HydrophobicContact CG-CG1 4.45Å; H736-V745 PolarHBondContact N-O 3.05Å; H736-V745 PolarHBondContact O-N 2.89Å; H736-V745 VanDerWaalsContact O-N 3.1Å; V745-C747 PolarHBondContact O-N 3.4Å
746	C	85.7	Confident	73.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.9	177.2	-59.5	0	0	0	0	112	P711 V712 I720 C729 W734	P711-C746 WeakPolarHBondContact CA-O 3.34Å; V712-C746 HydrophobicContact CB-CB 4.24Å; V712-C746 HydrophobicContact CG2-CB 3.96Å; V712-C746 PolarHBondContact N-O 2.83Å; I720-C746 PolarHBondContact O-N 2.85Å; I720-C746 VanDerWaalsContact O-N 3.08Å; C729-C746 WeakPolarHBondContact CA-SG 3.32Å; C729-C746 HydrophobicContact CB-CB 3.78Å; C729-C746 WeakPolarHBondContact CB-SG 3.2Å; C729-C746 WeakPolarHBondContact SG-CA 3.36Å; C729-C746 WeakPolarHBondContact SG-CB 3.17Å; C729-C746 CovalentContact SG-SG 2.04Å; C729-C746 PolarHBondContact SG-SG 2.93Å; W734-C746 WeakPolarHBondContact O-CA 3.41Å
747	C	81.5	Confident	73.5	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	148.9	178.4	-65.9	0	0	0	0	111.4	C706 Y733 W734 H736 V745	C706-C747 WeakPolarHBondContact CA-SG 3.17Å; C706-C747 HydrophobicContact CB-CB 3.59Å; C706-C747 WeakPolarHBondContact CB-SG 3.5Å; C706-C747 WeakPolarHBondContact SG-CA 3.33Å; C706-C747 WeakPolarHBondContact SG-CB 3.46Å; C706-C747 CovalentContact SG-SG 2.03Å; C706-C747 PolarHBondContact SG-SG 3.38Å; Y733-C747 CarbonylContact C-O 3.51Å; Y733-C747 WeakPolarHBondContact CA-O 3.23Å; Y733-C747 WeakPolarHBondContact CB-O 3.49Å; W734-C747 HydrophobicContact CZ2-CB 4.5Å; W734-C747 PolarHBondContact N-O 3.26Å; W734-C747 PolarHBondContact O-N 3.35Å; H736-C747 HydrophobicContact CB-CB 4.31Å; H736-C747 WeakPolarHBondContact CB-SG 3.29Å; V745-C747 PolarHBondContact O-N 3.4Å
748	P	78.3	Confident	73.5	Confident	40 Å²	40	54.3 Å²	54.3	26%	0.26	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.6	178.7	-14	27.9	0	0	0	111.2	N709 Y733	N709-P748 HydrophobicContact CB-CG 3.68Å; Y733-P748 VanDerWaalsContact CD1-CA 3.44Å; Y733-P748 HydrophobicContact CD1-CB 3.93Å; Y733-P748 HydrophobicContact CD1-CG 3.95Å; Y733-P748 HydrophobicContact CE1-CB 3.9Å; Y733-P748 HydrophobicContact CE1-CG 3.77Å
749	G	67	Low	73.6	Confident	22 Å²	22	57.9 Å²	57.9	23%	0.227	34%	0.343	C	S	.	.			trans	150.6	146.6	176.9	0	0	0	0	0	112.7	G732	G732-G749 PolarHBondContact O-N 3.13Å
750	D	60.6	Low	74	Confident	114 Å²	114	56.9 Å²	56.9	61%	0.61	33%	0.334	S	S	*	.			trans	-80.9	149.9	176.3	-155.6	-29.6	0	0	0	111	A752 Q792	D750-A752 PolarHBondContact OD1-N 2.7Å; D750-Q792 PolarHBondContact O-NE2 3.22Å
751	V	58	Low	74	Confident	89 Å²	89	57.1 Å²	57.1	54%	0.539	34%	0.338	S	S	.	.	S	Bend	trans	-86.8	-28.8	-177	-177	0	0	0	0	111.3	W734 E753 A754	W734-V751 HydrophobicContact CB-CG2 4.32Å; V751-E753 VanDerWaalsContact C-N 3.28Å; V751-E753 PolarHBondContact O-N 2.92Å; V751-A754 WeakPolarHBondContact O-CB 3.28Å; V751-A754 PolarHBondContact O-N 3.33Å; V751-A754 VanDerWaalsContact O-N 3.1Å
752	A	56	Low	73.9	Confident	84 Å²	84	53.2 Å²	53.2	69%	0.694	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-31.2	-173.6	0	0	0	0	0	114.2	D750 A754	D750-A752 PolarHBondContact OD1-N 2.7Å; A752-A754 VanDerWaalsContact C-N 3.33Å; A752-A754 PolarHBondContact O-N 3.03Å
753	E	61.7	Low	73.7	Confident	107 Å²	107	50.7 Å²	50.7	50%	0.5	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.5	179.2	-79.1	-68.1	135.6	0	0	113.7	V751 C755 N756 L757	V751-E753 VanDerWaalsContact C-N 3.28Å; V751-E753 PolarHBondContact O-N 2.92Å; E753-C755 VanDerWaalsContact C-N 3.32Å; E753-C755 PolarHBondContact O-N 2.8Å; E753-C755 VanDerWaalsContact O-N 3.1Å; E753-N756 PolarHBondContact O-N 3.03Å; E753-L757 HydrophobicContact CB-CD2 4.48Å; E753-L757 HydrophobicContact CB-CG 4.46Å; E753-L757 PolarHBondContact O-N 3.04Å
754	A	73.9	Confident	73.3	Confident	3 Å²	3	51.8 Å²	51.8	3%	0.025	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-44.5	-167.2	0	0	0	0	0	114.4	V751 A752 N756 Q792 N793 F795	V751-A754 WeakPolarHBondContact O-CB 3.28Å; V751-A754 PolarHBondContact O-N 3.33Å; V751-A754 VanDerWaalsContact O-N 3.1Å; A752-A754 VanDerWaalsContact C-N 3.33Å; A752-A754 PolarHBondContact O-N 3.03Å; A754-N756 VanDerWaalsContact C-N 3.25Å; A754-N756 PolarHBondContact O-N 2.92Å; A754-Q792 HydrophobicContact CB-CB 3.58Å; A754-N793 WeakPolarHBondContact O-CB 3.48Å; A754-N793 PolarHBondContact O-ND2 3.01Å; A754-F795 HydrophobicContact CB-CZ 4.43Å
755	C	80.1	Confident	72.2	Confident	24 Å²	24	54.2 Å²	54.2	16%	0.162	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.3	-179.3	-54.7	0	0	0	0	113.8	E753 F773 C805	E753-C755 VanDerWaalsContact C-N 3.32Å; E753-C755 PolarHBondContact O-N 2.8Å; E753-C755 VanDerWaalsContact O-N 3.1Å; C755-F773 HydrophobicContact CB-CB 4.23Å; C755-F773 HydrophobicContact CB-CD1 3.74Å; C755-F773 HydrophobicContact CB-CG 4.21Å; C755-F773 WeakPolarHBondContact O-CD1 3.24Å; C755-C805 HydrophobicContact CB-CB 4.03Å; C755-C805 WeakPolarHBondContact CB-SG 2.95Å; C755-C805 WeakPolarHBondContact SG-CB 3.49Å; C755-C805 CovalentContact SG-SG 2.04Å; C755-C805 PolarHBondContact SG-SG 2.78Å
756	N	78	Confident	71.3	Confident	101 Å²	101	56.6 Å²	56.6	54%	0.54	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-18.3	-177.4	-68.1	-32.4	0	0	0	113.7	E753 A754	E753-N756 PolarHBondContact O-N 3.03Å; A754-N756 VanDerWaalsContact C-N 3.25Å; A754-N756 PolarHBondContact O-N 2.92Å
757	L	80.4	Confident	70.5	Confident	44 Å²	44	62.1 Å²	62.1	23%	0.23	39%	0.394	C	S	.	.	S	Bend	trans	-62.3	147.1	176.7	-62.3	173.6	0	0	0	111.3	E753 N791 Q792 N793	E753-L757 HydrophobicContact CB-CD2 4.48Å; E753-L757 HydrophobicContact CB-CG 4.46Å; E753-L757 PolarHBondContact O-N 3.04Å; L757-N791 HydrophobicContact CD1-CB 4.1Å; L757-Q792 HydrophobicContact CD1-CB 3.91Å; L757-Q792 HydrophobicContact CD1-CG 4.39Å; L757-Q792 VanDerWaalsContact CD1-OE1 3.28Å; L757-N793 HydrophobicContact CB-CB 4.21Å; L757-N793 PolarHBondContact O-ND2 3.19Å
758	P	79.8	Confident	70.2	Confident	99 Å²	99	63.8 Å²	63.8	64%	0.643	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-63.7	156.1	174	28.7	-35.7	0	0	0	110.9	A760 N791	P758-A760 PolarHBondContact O-N 3.5Å; P758-N791 PolarHBondContact O-ND2 3.5Å; P758-N791 PolarHBondContact O-OD1 2.9Å
759	M	79.4	Confident	70.3	Confident	81 Å²	81	67.7 Å²	67.7	40%	0.399	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64	120.6	173.2	73.1	-172.5	-64.6	0	0	110.2	Y772 F783	M759-Y772 HydrophobicContact CB-CD1 4.07Å; M759-Y772 HydrophobicContact CB-CD2 3.83Å; M759-Y772 HydrophobicContact CB-CE1 4.21Å; M759-Y772 HydrophobicContact CB-CE2 3.99Å; M759-Y772 HydrophobicContact CB-CG 3.87Å; M759-Y772 HydrophobicContact CE-CD1 3.99Å; M759-Y772 HydrophobicContact CE-CE1 3.56Å; M759-Y772 HydrophobicContact SD-CD1 4.44Å; M759-Y772 HydrophobicContact SD-CE1 3.72Å; M759-Y772 HydrophobicContact SD-CE2 4.3Å; M759-F783 HydrophobicContact CE-CB 3.47Å; M759-F783 VanDerWaalsContact CE-CB 3.47Å; M759-F783 HydrophobicContact CE-CD2 3.97Å; M759-F783 HydrophobicContact CE-CG 3.9Å
760	A	80	Confident	71.2	Confident	24 Å²	24	67.2 Å²	67.2	20%	0.198	40%	0.403	C	S	.	.			trans	-99.7	103.6	171.9	0	0	0	0	0	109	P758 G762 F783 N791	P758-A760 PolarHBondContact O-N 3.5Å; A760-G762 PolarHBondContact O-N 3.15Å; A760-F783 WeakPolarHBondContact O-CE2 3.28Å; A760-N791 HydrophobicContact CB-CB 4.23Å
761	T	72.4	Confident	72.4	Confident	83 Å²	83	64.6 Å²	64.6	51%	0.509	39%	0.385	S	S	.	.			trans	-61.3	-24.8	175.2	48.4	0	0	0	0	112.5	Y785 G786	T761-Y785 CarbonylContact O-C 3.43Å; T761-Y785 WeakPolarHBondContact O-CA 3.5Å; T761-Y785 VanDerWaalsContact O-CD2 3.29Å; T761-Y785 WeakPolarHBondContact O-CD2 3.24Å; T761-G786 PolarHBondContact O-N 2.77Å
762	G	70.3	Confident	73.9	Confident	27 Å²	27	61.8 Å²	61.8	28%	0.278	37%	0.365	S	S	.	.			trans	65.6	-167.7	-177.2	0	0	0	0	0	113.4	A760 L788	A760-G762 PolarHBondContact O-N 3.15Å; G762-L788 CarbonylContact C-O 3.6Å; G762-L788 WeakPolarHBondContact CA-O 3.18Å
763	H	65.4	Low	75.2	Confident	92 Å²	92	58 Å²	58	43%	0.426	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-133.6	179.8	176.3	57.1	96.3	0	0	0	109.6	G786 G787 L788	H763-G786 CarbonylContact O-C 3.56Å; H763-G786 VanDerWaalsContact O-CA 3.28Å; H763-G786 WeakPolarHBondContact O-CA 3.22Å; H763-G786 VanDerWaalsContact O-O 3.06Å; H763-G787 PolarHBondContact O-N 3.16Å; H763-L788 PolarHBondContact N-O 3.16Å; H763-L788 WeakPolarHBondContact O-CB 3.17Å; H763-L788 PolarHBondContact O-N 2.9Å
764	G	65.5	Low	75.9	Confident	35 Å²	35	53.7 Å²	53.7	36%	0.361	31%	0.313	S	S	.	.	S	Bend	trans	106.9	8.1	174.9	0	0	0	0	0	117.2	S766 G786	G764-S766 PolarHBondContact O-N 3.12Å; G764-S766 PolarHBondContact O-OG 3.37Å; G764-S766 VanDerWaalsContact O-OG 3.14Å; G764-G786 CarbonylContact C-O 3.53Å; G764-G786 WeakPolarHBondContact CA-O 3.19Å
765	G	59.1	Low	75.7	Confident	65 Å²	65	55.2 Å²	55.2	67%	0.67	32%	0.324	S	S	*	.	S	Bend	trans	64.3	-1	166.3	0	0	0	0	0	117.8	N767 G786	G765-N767 VanDerWaalsContact C-N 3.31Å; G765-N767 PolarHBondContact O-N 2.76Å; G765-G786 PolarHBondContact N-O 2.89Å
766	S	63.8	Low	74.8	Confident	52 Å²	52	61.3 Å²	61.3	36%	0.364	34%	0.344	S	S	.	.			trans	-80.1	-10.4	-169.7	-58.3	0	0	0	0	114.1	A739 G764 L768 G786	A739-S766 VanDerWaalsContact CB-OG 3.32Å; A739-S766 WeakPolarHBondContact CB-OG 3.32Å; G764-S766 PolarHBondContact O-N 3.12Å; G764-S766 PolarHBondContact O-OG 3.37Å; G764-S766 VanDerWaalsContact O-OG 3.14Å; S766-L768 PolarHBondContact O-N 3.35Å; S766-L768 VanDerWaalsContact O-N 3.09Å; S766-G786 VanDerWaalsContact CB-O 3.26Å; S766-G786 WeakPolarHBondContact CB-O 3.41Å; S766-G786 PolarHBondContact N-O 3.35Å; S766-G786 PolarHBondContact OG-O 2.91Å
767	N	69.8	Low	74	Confident	116 Å²	116	60.4 Å²	60.4	62%	0.62	34%	0.338	S	S	*	.			trans	45.8	42.7	174.3	-67.6	-31.8	0	0	0	114.7	G765 T784 Y785	G765-N767 VanDerWaalsContact C-N 3.31Å; G765-N767 PolarHBondContact O-N 2.76Å; N767-T784 HydrophobicContact CB-CG2 3.84Å; N767-Y785 CarbonylContact C-O 3.53Å
768	L	75.5	Confident	73.2	Confident	37 Å²	37	62.7 Å²	62.7	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.5	-175.9	-53.9	177.3	0	0	0	110.4	G738 A739 S766 R770 Y785	G738-L768 WeakPolarHBondContact O-CD1 3.44Å; A739-L768 HydrophobicContact CB-CD1 3.94Å; A739-L768 HydrophobicContact CB-CD2 4.14Å; A739-L768 HydrophobicContact CB-CG 4.45Å; S766-L768 PolarHBondContact O-N 3.35Å; S766-L768 VanDerWaalsContact O-N 3.09Å; L768-R770 HydrophobicContact CB-CG 4.4Å; L768-R770 PolarHBondContact O-N 3.24Å; L768-Y785 HydrophobicContact CD1-CD1 4.12Å; L768-Y785 PolarHBondContact N-O 3.09Å; L768-Y785 PolarHBondContact O-N 2.79Å
769	R	79.2	Confident	72.2	Confident	122 Å²	122	62.1 Å²	62.1	46%	0.46	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	119.9	173.5	-83.8	-176	166.9	-157.3	-4.7	110.5	Q277 L782	Q277-R769 PolarHBondContact O-NH2 2.9Å; R769-L782 HydrophobicContact CB-CD1 4.05Å; R769-L782 HydrophobicContact CG-CD1 4.3Å
770	R	86.4	Confident	72.2	Confident	13 Å²	13	58.6 Å²	58.6	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.6	-177.1	-63.7	-67	179.8	85.4	0.6	110	V737 G738 L768 L782 F783 Y785 N794 F795	V737-R770 VanDerWaalsContact O-CZ 3.28Å; V737-R770 PolarHBondContact O-NH1 3.33Å; V737-R770 PolarHBondContact O-NH2 3.08Å; G738-R770 PolarHBondContact O-NH2 3.31Å; L768-R770 HydrophobicContact CB-CG 4.4Å; L768-R770 PolarHBondContact O-N 3.24Å; R770-L782 CarbonylContact O-C 3.14Å; R770-L782 WeakPolarHBondContact O-CA 3.37Å; R770-L782 WeakPolarHBondContact O-CD1 3.39Å; R770-F783 HydrophobicContact CB-CD1 4.05Å; R770-F783 HydrophobicContact CB-CE1 3.53Å; R770-F783 HydrophobicContact CB-CZ 3.92Å; R770-F783 PolarHBondContact N-O 2.92Å; R770-F783 WeakPolarHBondContact O-CD1 3.32Å; R770-F783 PolarHBondContact O-N 2.74Å; R770-Y785 HydrophobicContact CG-CD1 4.3Å; R770-Y785 HydrophobicContact CG-CG 4.35Å; R770-N794 VanDerWaalsContact CB-OD1 3.31Å; R770-N794 WeakPolarHBondContact CB-OD1 3.31Å; R770-N794 VanDerWaalsContact CD-OD1 3.23Å; R770-N794 WeakPolarHBondContact CD-OD1 3.47Å; R770-N794 WeakPolarHBondContact CG-OD1 3.05Å; R770-N794 PolarHBondContact NH1-OD1 2.91Å; R770-F795 CarbonylContact C-O 3.48Å; R770-F795 WeakPolarHBondContact CA-O 3.29Å; R770-F795 WeakPolarHBondContact CD-O 3.09Å
771	Y	86.6	Confident	71.9	Confident	59 Å²	59	59.2 Å²	59.2	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.5	173.4	-69.6	-98.3	0	0	0	108.6	C780 V781 L782 F795 K798	Y771-C780 HydrophobicContact CD1-CB 4.38Å; Y771-V781 CarbonylContact C-O 3.44Å; Y771-V781 WeakPolarHBondContact CA-O 3.37Å; Y771-L782 HydrophobicContact CD1-CB 4.21Å; Y771-L782 HydrophobicContact CD2-CD1 4.09Å; Y771-L782 HydrophobicContact CE1-CB 3.85Å; Y771-L782 HydrophobicContact CE1-CD1 4.17Å; Y771-L782 HydrophobicContact CE2-CD1 3.64Å; Y771-F795 PolarHBondContact N-O 2.8Å; Y771-F795 WeakPolarHBondContact O-CB 3.33Å; Y771-F795 VanDerWaalsContact O-CD2 3.29Å; Y771-F795 WeakPolarHBondContact O-CD2 3.2Å; Y771-F795 PolarHBondContact O-N 2.82Å; Y771-K798 HydrophobicContact CD1-CB 4.01Å; Y771-K798 HydrophobicContact CD1-CG 4.39Å; Y771-K798 VanDerWaalsContact CD2-N 3.32Å; Y771-K798 HydrophobicContact CE1-CB 3.72Å; Y771-K798 HydrophobicContact CE1-CD 4.42Å; Y771-K798 HydrophobicContact CE1-CG 4.19Å; Y771-K798 HydrophobicContact CE2-CB 4.28Å; Y771-K798 HydrophobicContact CG-CB 4.4Å
772	Y	89	Confident	72.5	Confident	30 Å²	30	58 Å²	58	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147	164.6	78.9	-80.9	0	0	0	108.6	M759 N774 C780 V781 F783 N793	M759-Y772 HydrophobicContact CB-CD1 4.07Å; M759-Y772 HydrophobicContact CB-CD2 3.83Å; M759-Y772 HydrophobicContact CB-CE1 4.21Å; M759-Y772 HydrophobicContact CB-CE2 3.99Å; M759-Y772 HydrophobicContact CB-CG 3.87Å; M759-Y772 HydrophobicContact CE-CD1 3.99Å; M759-Y772 HydrophobicContact CE-CE1 3.56Å; M759-Y772 HydrophobicContact SD-CD1 4.44Å; M759-Y772 HydrophobicContact SD-CE1 3.72Å; M759-Y772 HydrophobicContact SD-CE2 4.3Å; Y772-N774 HydrophobicContact CD2-CB 4.35Å; Y772-N774 HydrophobicContact CE2-CB 3.66Å; Y772-N774 PolarHBondContact O-N 3.47Å; Y772-N774 PolarHBondContact OH-ND2 2.71Å; Y772-C780 WeakPolarHBondContact O-CA 3.49Å; Y772-V781 HydrophobicContact CD1-CB 4.12Å; Y772-V781 WeakPolarHBondContact CD1-O 3.49Å; Y772-V781 HydrophobicContact CE1-CB 3.65Å; Y772-V781 HydrophobicContact CE1-CG1 3.74Å; Y772-V781 PolarHBondContact N-O 2.97Å; Y772-V781 PolarHBondContact O-N 3.18Å; Y772-F783 HydrophobicContact CD1-CB 4.03Å; Y772-F783 AromaticContact CD1-CD1 3.65Å; Y772-F783 HydrophobicContact CD1-CD1 3.65Å; Y772-F783 HydrophobicContact CD1-CE1 4.35Å; Y772-F783 HydrophobicContact CD1-CG 4Å; Y772-F783 HydrophobicContact CE1-CB 4.29Å; Y772-F783 HydrophobicContact CG-CD1 4.27Å; Y772-N793 WeakPolarHBondContact CA-OD1 3.27Å; Y772-N793 WeakPolarHBondContact CB-O 3.31Å
773	F	82.1	Confident	73	Confident	5 Å²	5	57.3 Å²	57.3	2%	0.022	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	111	170	-171.3	-106.6	0	0	0	109.4	C755 S775 K778 N793 F795 C805 A808	C755-F773 HydrophobicContact CB-CB 4.23Å; C755-F773 HydrophobicContact CB-CD1 3.74Å; C755-F773 HydrophobicContact CB-CG 4.21Å; C755-F773 WeakPolarHBondContact O-CD1 3.24Å; F773-S775 PolarHBondContact O-N 3.01Å; F773-S775 VanDerWaalsContact O-N 3.12Å; F773-K778 HydrophobicContact CZ-CB 4.48Å; F773-K778 HydrophobicContact CZ-CD 4.34Å; F773-N793 PolarHBondContact N-OD1 2.97Å; F773-N793 PolarHBondContact O-ND2 2.03Å; F773-F795 HydrophobicContact CB-CE2 4.35Å; F773-C805 HydrophobicContact CB-CB 4.14Å; F773-C805 WeakPolarHBondContact CB-SG 3.42Å; F773-C805 HydrophobicContact CD1-CB 3.98Å; F773-C805 HydrophobicContact CD2-CB 3.44Å; F773-C805 VanDerWaalsContact CD2-CB 3.44Å; F773-C805 HydrophobicContact CE1-CB 4.27Å; F773-C805 HydrophobicContact CE2-CB 3.81Å; F773-C805 HydrophobicContact CG-CB 3.55Å; F773-C805 WeakPolarHBondContact CG-SG 3.06Å; F773-C805 HydrophobicContact CZ-CB 4.23Å; F773-A808 HydrophobicContact CE1-CB 3.81Å; F773-A808 HydrophobicContact CE2-CB 4.17Å; F773-A808 HydrophobicContact CZ-CB 3.27Å
774	N	76.4	Confident	73.6	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.08	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	91.7	172.8	-170.8	-55.9	0	0	0	108.2	Y772 R776 L777 K778 M779 V781	Y772-N774 HydrophobicContact CD2-CB 4.35Å; Y772-N774 HydrophobicContact CE2-CB 3.66Å; Y772-N774 PolarHBondContact O-N 3.47Å; Y772-N774 PolarHBondContact OH-ND2 2.71Å; N774-R776 PolarHBondContact O-N 2.95Å; N774-R776 WeakPolarHBondContact OD1-CB 3.24Å; N774-R776 PolarHBondContact OD1-N 2.65Å; N774-L777 HydrophobicContact CB-CB 4.18Å; N774-L777 CarbonylContact O-C 3.25Å; N774-L777 PolarHBondContact O-N 3.01Å; N774-L777 PolarHBondContact OD1-N 3.17Å; N774-K778 PolarHBondContact O-N 3.45Å; N774-M779 PolarHBondContact N-O 2.77Å; N774-V781 HydrophobicContact CB-CB 4.44Å; N774-V781 HydrophobicContact CB-CG2 3.66Å
775	S	70.2	Confident	74.4	Confident	36 Å²	36	54.9 Å²	54.9	25%	0.252	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.7	-178.1	-165.7	0	0	0	0	114.2	F773 K778	F773-S775 PolarHBondContact O-N 3.01Å; F773-S775 VanDerWaalsContact O-N 3.12Å; S775-K778 VanDerWaalsContact O-CD 3.28Å; S775-K778 WeakPolarHBondContact O-CD 3.4Å; S775-K778 WeakPolarHBondContact O-CE 3.09Å; S775-K778 PolarHBondContact O-NZ 3.23Å; S775-K778 PolarHBondContact OG-NZ 3.49Å; S775-K778 VanDerWaalsContact OG-NZ 3.15Å
776	R	62	Low	75	Confident	151 Å²	151	52.1 Å²	52.1	57%	0.57	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-47.7	171.2	-178.7	-178.1	67.1	-152.2	1.1	112.8	T192 N774 K778	T192-R776 WeakPolarHBondContact OG1-CD 3.19Å; N774-R776 PolarHBondContact O-N 2.95Å; N774-R776 WeakPolarHBondContact OD1-CB 3.24Å; N774-R776 PolarHBondContact OD1-N 2.65Å; R776-K778 PolarHBondContact O-N 3.07Å
777	L	60.8	Low	75.3	Confident	82 Å²	82	49.7 Å²	49.7	43%	0.429	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.5	176.6	-66.6	175.7	0	0	0	113.1	N774 M779 V781	N774-L777 HydrophobicContact CB-CB 4.18Å; N774-L777 CarbonylContact O-C 3.25Å; N774-L777 PolarHBondContact O-N 3.01Å; N774-L777 PolarHBondContact OD1-N 3.17Å; L777-M779 HydrophobicContact CB-CG 3.69Å; L777-M779 HydrophobicContact CB-SD 3.89Å; L777-M779 HydrophobicContact CD1-CG 4.45Å; L777-M779 HydrophobicContact CD1-SD 4Å; L777-M779 PolarHBondContact O-N 2.93Å; L777-V781 HydrophobicContact CD1-CG2 4.28Å
778	K	62.9	Low	75.5	Confident	92 Å²	92	44.6 Å²	44.6	40%	0.4	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	32.1	-175.7	-59.8	-65.9	174.7	-158.3	0	113.3	F773 N774 S775 R776 A808 L809	F773-K778 HydrophobicContact CZ-CB 4.48Å; F773-K778 HydrophobicContact CZ-CD 4.34Å; N774-K778 PolarHBondContact O-N 3.45Å; S775-K778 VanDerWaalsContact O-CD 3.28Å; S775-K778 WeakPolarHBondContact O-CD 3.4Å; S775-K778 WeakPolarHBondContact O-CE 3.09Å; S775-K778 PolarHBondContact O-NZ 3.23Å; S775-K778 PolarHBondContact OG-NZ 3.49Å; S775-K778 VanDerWaalsContact OG-NZ 3.15Å; R776-K778 PolarHBondContact O-N 3.07Å; K778-A808 WeakPolarHBondContact CB-O 3.06Å; K778-A808 HydrophobicContact CD-CB 3.96Å; K778-L809 WeakPolarHBondContact O-CD2 3.34Å
779	M	60.3	Low	75.3	Confident	88 Å²	88	44.1 Å²	44.1	43%	0.433	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.1	-176.1	76.5	-172.6	-65.1	0	0	111.7	N774 L777 V781	N774-M779 PolarHBondContact N-O 2.77Å; L777-M779 HydrophobicContact CB-CG 3.69Å; L777-M779 HydrophobicContact CB-SD 3.89Å; L777-M779 HydrophobicContact CD1-CG 4.45Å; L777-M779 HydrophobicContact CD1-SD 4Å; L777-M779 PolarHBondContact O-N 2.93Å; M779-V781 HydrophobicContact CG-CG2 3.73Å; M779-V781 HydrophobicContact SD-CG2 4.27Å
780	C	77.7	Confident	74.9	Confident	7 Å²	7	38.9 Å²	38.9	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.9	173.8	-67.8	0	0	0	0	111.1	Y771 Y772 K798 C801 E802	Y771-C780 HydrophobicContact CD1-CB 4.38Å; Y772-C780 WeakPolarHBondContact O-CA 3.49Å; C780-K798 HydrophobicContact CB-CG 4.33Å; C780-C801 VanDerWaalsContact CA-SG 3.59Å; C780-C801 HydrophobicContact CB-CB 3.64Å; C780-C801 WeakPolarHBondContact CB-SG 3.41Å; C780-C801 WeakPolarHBondContact SG-CB 3.36Å; C780-C801 CovalentContact SG-SG 2.02Å; C780-C801 PolarHBondContact SG-SG 3.42Å; C780-E802 HydrophobicContact CB-CG 4.03Å; C780-E802 VanDerWaalsContact SG-CG 3.54Å; C780-E802 PolarHBondContact SG-N 3.11Å
781	V	75.3	Confident	74.7	Confident	37 Å²	37	39.6 Å²	39.6	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.5	-174.9	179.7	0	0	0	0	109.7	Y771 Y772 N774 L777 M779	Y771-V781 CarbonylContact C-O 3.44Å; Y771-V781 WeakPolarHBondContact CA-O 3.37Å; Y772-V781 HydrophobicContact CD1-CB 4.12Å; Y772-V781 WeakPolarHBondContact CD1-O 3.49Å; Y772-V781 HydrophobicContact CE1-CB 3.65Å; Y772-V781 HydrophobicContact CE1-CG1 3.74Å; Y772-V781 PolarHBondContact N-O 2.97Å; Y772-V781 PolarHBondContact O-N 3.18Å; N774-V781 HydrophobicContact CB-CB 4.44Å; N774-V781 HydrophobicContact CB-CG2 3.66Å; L777-V781 HydrophobicContact CD1-CG2 4.28Å; M779-V781 HydrophobicContact CG-CG2 3.73Å; M779-V781 HydrophobicContact SD-CG2 4.27Å
782	L	84.3	Confident	74.4	Confident	57 Å²	57	38.4 Å²	38.4	30%	0.298	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	133.1	173.2	-176.3	75.2	0	0	0	110.2	R769 R770 Y771	R769-L782 HydrophobicContact CB-CD1 4.05Å; R769-L782 HydrophobicContact CG-CD1 4.3Å; R770-L782 CarbonylContact O-C 3.14Å; R770-L782 WeakPolarHBondContact O-CA 3.37Å; R770-L782 WeakPolarHBondContact O-CD1 3.39Å; Y771-L782 HydrophobicContact CD1-CB 4.21Å; Y771-L782 HydrophobicContact CD2-CD1 4.09Å; Y771-L782 HydrophobicContact CE1-CB 3.85Å; Y771-L782 HydrophobicContact CE1-CD1 4.17Å; Y771-L782 HydrophobicContact CE2-CD1 3.64Å
783	F	80.8	Confident	74.3	Confident	13 Å²	13	37 Å²	37	6%	0.057	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	166.8	171	79.3	-71.5	0	0	0	111.2	M759 A760 R770 Y772 Y785 N794	M759-F783 HydrophobicContact CE-CB 3.47Å; M759-F783 VanDerWaalsContact CE-CB 3.47Å; M759-F783 HydrophobicContact CE-CD2 3.97Å; M759-F783 HydrophobicContact CE-CG 3.9Å; A760-F783 WeakPolarHBondContact O-CE2 3.28Å; R770-F783 HydrophobicContact CB-CD1 4.05Å; R770-F783 HydrophobicContact CB-CE1 3.53Å; R770-F783 HydrophobicContact CB-CZ 3.92Å; R770-F783 PolarHBondContact N-O 2.92Å; R770-F783 WeakPolarHBondContact O-CD1 3.32Å; R770-F783 PolarHBondContact O-N 2.74Å; Y772-F783 HydrophobicContact CD1-CB 4.03Å; Y772-F783 AromaticContact CD1-CD1 3.65Å; Y772-F783 HydrophobicContact CD1-CD1 3.65Å; Y772-F783 HydrophobicContact CD1-CE1 4.35Å; Y772-F783 HydrophobicContact CD1-CG 4Å; Y772-F783 HydrophobicContact CE1-CB 4.29Å; Y772-F783 HydrophobicContact CG-CD1 4.27Å; F783-Y785 HydrophobicContact CE2-CD2 4.34Å; F783-N794 HydrophobicContact CZ-CB 4.24Å
784	T	78.7	Confident	74.5	Confident	75 Å²	75	37.7 Å²	37.7	46%	0.46	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.1	174.7	-55.1	0	0	0	0	109	N767	N767-T784 HydrophobicContact CB-CG2 3.84Å
785	Y	81.3	Confident	74.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.6	177.6	178.6	-127	0	0	0	110.6	H736 T761 N767 L768 R770 F783 G787 L788 G789 G790 N794	H736-Y785 AromaticContact NE2-CZ 3.77Å; H736-Y785 PolarHBondContact NE2-OH 3.26Å; T761-Y785 CarbonylContact O-C 3.43Å; T761-Y785 WeakPolarHBondContact O-CA 3.5Å; T761-Y785 VanDerWaalsContact O-CD2 3.29Å; T761-Y785 WeakPolarHBondContact O-CD2 3.24Å; N767-Y785 CarbonylContact C-O 3.53Å; L768-Y785 HydrophobicContact CD1-CD1 4.12Å; L768-Y785 PolarHBondContact N-O 3.09Å; L768-Y785 PolarHBondContact O-N 2.79Å; R770-Y785 HydrophobicContact CG-CD1 4.3Å; R770-Y785 HydrophobicContact CG-CG 4.35Å; F783-Y785 HydrophobicContact CE2-CD2 4.34Å; Y785-G787 VanDerWaalsContact CE1-C 3.45Å; Y785-G787 VanDerWaalsContact CE1-CA 3.48Å; Y785-G787 PolarHBondContact O-N 3.3Å; Y785-L788 WeakPolarHBondContact OH-CA 3Å; Y785-L788 PolarHBondContact OH-N 3.06Å; Y785-L788 PolarHBondContact OH-O 2.96Å; Y785-G789 PolarHBondContact OH-N 3.24Å; Y785-G790 VanDerWaalsContact CE2-CA 3.44Å; Y785-G790 WeakPolarHBondContact OH-CA 3.39Å; Y785-G790 PolarHBondContact OH-N 2.82Å; Y785-N794 VanDerWaalsContact CD1-ND2 3.28Å; Y785-N794 WeakPolarHBondContact CD1-ND2 3.29Å; Y785-N794 WeakPolarHBondContact CD2-ND2 3.42Å; Y785-N794 WeakPolarHBondContact CE1-ND2 3.08Å; Y785-N794 VanDerWaalsContact CG-ND2 3.33Å
786	G	72.3	Confident	75.4	Confident	8 Å²	8	41.1 Å²	41.1	8%	0.082	21%	0.214	C	C	.	.			trans	-64.2	-21.5	-177.5	0	0	0	0	0	114.4	T761 H763 G764 G765 S766	T761-G786 PolarHBondContact O-N 2.77Å; H763-G786 CarbonylContact O-C 3.56Å; H763-G786 VanDerWaalsContact O-CA 3.28Å; H763-G786 WeakPolarHBondContact O-CA 3.22Å; H763-G786 VanDerWaalsContact O-O 3.06Å; G764-G786 CarbonylContact C-O 3.53Å; G764-G786 WeakPolarHBondContact CA-O 3.19Å; G765-G786 PolarHBondContact N-O 2.89Å; S766-G786 VanDerWaalsContact CB-O 3.26Å; S766-G786 WeakPolarHBondContact CB-O 3.41Å; S766-G786 PolarHBondContact N-O 3.35Å; S766-G786 PolarHBondContact OG-O 2.91Å
787	G	70.3	Confident	76.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.01	20%	0.2	C	C	.	.	S	Bend	trans	109.3	-18.5	179.9	0	0	0	0	0	114.6	H736 H763 Y785	H736-G787 PolarHBondContact CE1-O 3.47Å; H736-G787 VanDerWaalsContact CE1-O 3.3Å; H763-G787 PolarHBondContact O-N 3.16Å; Y785-G787 VanDerWaalsContact CE1-C 3.45Å; Y785-G787 VanDerWaalsContact CE1-CA 3.48Å; Y785-G787 PolarHBondContact O-N 3.3Å
788	L	73.8	Confident	77.1	Confident	8 Å²	8	36.3 Å²	36.3	4%	0.042	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-140.1	154.2	-176.7	-61.4	162.5	0	0	0	110.7	A703 P705 T743 G762 H763 Y785 G790	A703-L788 HydrophobicContact CB-CD1 3.51Å; A703-L788 HydrophobicContact CB-CD2 4.13Å; A703-L788 HydrophobicContact CB-CG 4.28Å; P705-L788 HydrophobicContact CB-CD2 4.07Å; P705-L788 HydrophobicContact CG-CD2 4Å; T743-L788 HydrophobicContact CG2-CD2 3.8Å; G762-L788 CarbonylContact C-O 3.6Å; G762-L788 WeakPolarHBondContact CA-O 3.18Å; H763-L788 PolarHBondContact N-O 3.16Å; H763-L788 WeakPolarHBondContact O-CB 3.17Å; H763-L788 PolarHBondContact O-N 2.9Å; Y785-L788 WeakPolarHBondContact OH-CA 3Å; Y785-L788 PolarHBondContact OH-N 3.06Å; Y785-L788 PolarHBondContact OH-O 2.96Å; L788-G790 VanDerWaalsContact C-N 3.32Å; L788-G790 PolarHBondContact O-N 3.22Å
789	G	70.7	Confident	77.4	Confident	27 Å²	27	37.6 Å²	37.6	28%	0.278	21%	0.21	S	C	.	.	S	Bend	trans	68.8	25.3	173.1	0	0	0	0	0	115.1	Y785	Y785-G789 PolarHBondContact OH-N 3.24Å
790	G	71.2	Confident	78.1	Confident	13 Å²	13	34.6 Å²	34.6	13%	0.134	20%	0.2	C	C	.	.			trans	-88	168.3	173.4	0	0	0	0	0	113	Y785 L788	Y785-G790 VanDerWaalsContact CE2-CA 3.44Å; Y785-G790 WeakPolarHBondContact OH-CA 3.39Å; Y785-G790 PolarHBondContact OH-N 2.82Å; L788-G790 VanDerWaalsContact C-N 3.32Å; L788-G790 PolarHBondContact O-N 3.22Å
791	N	81	Confident	78.2	Confident	28 Å²	28	34.3 Å²	34.3	15%	0.15	20%	0.197	C	C	.	.			trans	-112.2	-177.1	172.5	66.7	20.8	0	0	0	110.9	W734 L757 P758 A760 N793 N794	W734-N791 WeakPolarHBondContact CH2-O 3.1Å; L757-N791 HydrophobicContact CD1-CB 4.1Å; P758-N791 PolarHBondContact O-ND2 3.5Å; P758-N791 PolarHBondContact O-OD1 2.9Å; A760-N791 HydrophobicContact CB-CB 4.23Å; N791-N793 PolarHBondContact O-N 3.48Å; N791-N793 VanDerWaalsContact O-N 3.16Å; N791-N793 PolarHBondContact OD1-N 3.49Å; N791-N793 VanDerWaalsContact OD1-N 3.15Å; N791-N794 WeakPolarHBondContact O-CB 3.32Å
792	Q	81.5	Confident	78.1	Confident	34 Å²	34	34.7 Å²	34.7	16%	0.159	20%	0.197	C	C	.	.	S	Bend	trans	-65.1	-15.2	-175	-60.2	87.9	-48.7	0	0	114.2	W734 D750 A754 L757 N794	W734-Q792 HydrophobicContact CB-CG 4.31Å; W734-Q792 HydrophobicContact CD2-CG 3.61Å; W734-Q792 HydrophobicContact CE3-CG 4.03Å; W734-Q792 HydrophobicContact CG-CG 3.7Å; W734-Q792 HydrophobicContact CZ2-CG 4.39Å; D750-Q792 PolarHBondContact O-NE2 3.22Å; A754-Q792 HydrophobicContact CB-CB 3.58Å; L757-Q792 HydrophobicContact CD1-CB 3.91Å; L757-Q792 HydrophobicContact CD1-CG 4.39Å; L757-Q792 VanDerWaalsContact CD1-OE1 3.28Å; Q792-N794 PolarHBondContact O-N 3.18Å
793	N	86.4	Confident	77.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.198	C	C	.	.			trans	-80.6	53.2	178.2	-153.9	-6.8	0	0	0	111.6	A754 L757 Y772 F773 N791 F795	A754-N793 WeakPolarHBondContact O-CB 3.48Å; A754-N793 PolarHBondContact O-ND2 3.01Å; L757-N793 HydrophobicContact CB-CB 4.21Å; L757-N793 PolarHBondContact O-ND2 3.19Å; Y772-N793 WeakPolarHBondContact CA-OD1 3.27Å; Y772-N793 WeakPolarHBondContact CB-O 3.31Å; F773-N793 PolarHBondContact N-OD1 2.97Å; F773-N793 PolarHBondContact O-ND2 2.03Å; N791-N793 PolarHBondContact O-N 3.48Å; N791-N793 VanDerWaalsContact O-N 3.16Å; N791-N793 PolarHBondContact OD1-N 3.49Å; N791-N793 VanDerWaalsContact OD1-N 3.15Å; N793-F795 WeakPolarHBondContact OD1-CE2 3.38Å
794	N	86.7	Confident	76.9	Confident	18 Å²	18	37 Å²	37	10%	0.096	22%	0.217	C	C	.	.			trans	-148.3	84	-164.3	-175	-17.1	0	0	0	110.7	R770 F783 Y785 N791 Q792	R770-N794 VanDerWaalsContact CB-OD1 3.31Å; R770-N794 WeakPolarHBondContact CB-OD1 3.31Å; R770-N794 VanDerWaalsContact CD-OD1 3.23Å; R770-N794 WeakPolarHBondContact CD-OD1 3.47Å; R770-N794 WeakPolarHBondContact CG-OD1 3.05Å; R770-N794 PolarHBondContact NH1-OD1 2.91Å; F783-N794 HydrophobicContact CZ-CB 4.24Å; Y785-N794 VanDerWaalsContact CD1-ND2 3.28Å; Y785-N794 WeakPolarHBondContact CD1-ND2 3.29Å; Y785-N794 WeakPolarHBondContact CD2-ND2 3.42Å; Y785-N794 WeakPolarHBondContact CE1-ND2 3.08Å; Y785-N794 VanDerWaalsContact CG-ND2 3.33Å; N791-N794 WeakPolarHBondContact O-CB 3.32Å; Q792-N794 PolarHBondContact O-N 3.18Å
795	F	85.4	Confident	76.7	Confident	23 Å²	23	33.9 Å²	33.9	10%	0.101	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-99.7	143.4	-173.8	-54.5	-75.8	0	0	0	111.8	A754 R770 Y771 F773 N793 S797 A800 C801 T804	A754-F795 HydrophobicContact CB-CZ 4.43Å; R770-F795 CarbonylContact C-O 3.48Å; R770-F795 WeakPolarHBondContact CA-O 3.29Å; R770-F795 WeakPolarHBondContact CD-O 3.09Å; Y771-F795 PolarHBondContact N-O 2.8Å; Y771-F795 WeakPolarHBondContact O-CB 3.33Å; Y771-F795 VanDerWaalsContact O-CD2 3.29Å; Y771-F795 WeakPolarHBondContact O-CD2 3.2Å; Y771-F795 PolarHBondContact O-N 2.82Å; F773-F795 HydrophobicContact CB-CE2 4.35Å; N793-F795 WeakPolarHBondContact OD1-CE2 3.38Å; F795-S797 VanDerWaalsContact C-N 3.33Å; F795-S797 PolarHBondContact O-N 2.89Å; F795-A800 HydrophobicContact CB-CB 4.3Å; F795-C801 HydrophobicContact CB-CB 3.78Å; F795-C801 HydrophobicContact CD2-CB 3.42Å; F795-C801 VanDerWaalsContact CD2-CB 3.42Å; F795-C801 HydrophobicContact CE2-CB 4.16Å; F795-C801 HydrophobicContact CG-CB 3.66Å; F795-T804 HydrophobicContact CE1-CG2 3.8Å; F795-T804 HydrophobicContact CZ-CG2 4.03Å
796	I	80.9	Confident	75.8	Confident	100 Å²	100	41.6 Å²	41.6	51%	0.513	23%	0.227	S	C	.	.	S	Bend	trans	-72.2	-23.5	-178.7	-165.2	164.9	0	0	0	113.8	A724	A724-I796 HydrophobicContact CB-CD1 4.23Å
797	S	81.8	Confident	75.2	Confident	41 Å²	41	48.8 Å²	48.8	29%	0.287	26%	0.263	S	S	.	.	S	Bend	trans	-144.3	162.5	-179.8	73.9	0	0	0	0	112.4	F795 D799 A800 C801	F795-S797 VanDerWaalsContact C-N 3.33Å; F795-S797 PolarHBondContact O-N 2.89Å; S797-D799 VanDerWaalsContact C-N 3.32Å; S797-A800 PolarHBondContact O-N 2.76Å; S797-A800 WeakPolarHBondContact OG-CB 3.1Å; S797-A800 PolarHBondContact OG-N 3.49Å; S797-C801 PolarHBondContact O-N 2.03Å; S797-C801 VanDerWaalsContact O-N 3.13Å
798	K	74.9	Confident	74.6	Confident	91 Å²	91	49.9 Å²	49.9	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-44.7	173.5	-173.2	173.3	176.3	-75.2	0	110.7	Y771 C780 A800 C801 E802	Y771-K798 HydrophobicContact CD1-CB 4.01Å; Y771-K798 HydrophobicContact CD1-CG 4.39Å; Y771-K798 VanDerWaalsContact CD2-N 3.32Å; Y771-K798 HydrophobicContact CE1-CB 3.72Å; Y771-K798 HydrophobicContact CE1-CD 4.42Å; Y771-K798 HydrophobicContact CE1-CG 4.19Å; Y771-K798 HydrophobicContact CE2-CB 4.28Å; Y771-K798 HydrophobicContact CG-CB 4.4Å; C780-K798 HydrophobicContact CB-CG 4.33Å; K798-A800 PolarHBondContact O-N 3.44Å; K798-C801 PolarHBondContact O-N 2.03Å; K798-E802 WeakPolarHBondContact CE-OE1 3.41Å; K798-E802 HydrophobicContact CG-CG 4.25Å; K798-E802 IonicContact NZ-OE1 3.82Å; K798-E802 PolarHBondContact NZ-OE1 2.72Å; K798-E802 IonicContact NZ-OE2 2.68Å; K798-E802 PolarHBondContact NZ-OE2 2.97Å; K798-E802 WeakPolarHBondContact O-CB 3.4Å; K798-E802 WeakPolarHBondContact O-CG 3.49Å; K798-E802 PolarHBondContact O-N 3.07Å
799	D	69.6	Low	74	Confident	119 Å²	119	52.2 Å²	52.2	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-38.1	177.4	-63.4	-51.8	0	0	0	112.6	S797 E802 S803	S797-D799 VanDerWaalsContact C-N 3.32Å; D799-E802 PolarHBondContact O-N 2.95Å; D799-S803 WeakPolarHBondContact O-CB 3.25Å; D799-S803 PolarHBondContact O-N 2.75Å; D799-S803 PolarHBondContact O-OG 2.77Å
800	A	75.4	Confident	73.8	Confident	26 Å²	26	58.8 Å²	58.8	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-43	175.5	0	0	0	0	0	111.5	F795 S797 K798 S803 T804	F795-A800 HydrophobicContact CB-CB 4.3Å; S797-A800 PolarHBondContact O-N 2.76Å; S797-A800 WeakPolarHBondContact OG-CB 3.1Å; S797-A800 PolarHBondContact OG-N 3.49Å; K798-A800 PolarHBondContact O-N 3.44Å; A800-S803 WeakPolarHBondContact CA-OG 3.48Å; A800-S803 PolarHBondContact O-OG 3.13Å; A800-S803 VanDerWaalsContact O-OG 3.14Å; A800-T804 WeakPolarHBondContact O-CB 3.37Å; A800-T804 PolarHBondContact O-N 2.74Å; A800-T804 PolarHBondContact O-OG1 3.17Å
801	C	80.8	Confident	74.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-47	174.2	174.8	0	0	0	0	112.2	C780 F795 S797 K798 S803 T804 C805	C780-C801 VanDerWaalsContact CA-SG 3.59Å; C780-C801 HydrophobicContact CB-CB 3.64Å; C780-C801 WeakPolarHBondContact CB-SG 3.41Å; C780-C801 WeakPolarHBondContact SG-CB 3.36Å; C780-C801 CovalentContact SG-SG 2.02Å; C780-C801 PolarHBondContact SG-SG 3.42Å; F795-C801 HydrophobicContact CB-CB 3.78Å; F795-C801 HydrophobicContact CD2-CB 3.42Å; F795-C801 VanDerWaalsContact CD2-CB 3.42Å; F795-C801 HydrophobicContact CE2-CB 4.16Å; F795-C801 HydrophobicContact CG-CB 3.66Å; S797-C801 PolarHBondContact O-N 2.03Å; S797-C801 VanDerWaalsContact O-N 3.13Å; K798-C801 PolarHBondContact O-N 2.03Å; C801-S803 VanDerWaalsContact C-N 3.31Å; C801-S803 PolarHBondContact O-N 3.32Å; C801-T804 PolarHBondContact O-N 2.84Å; C801-C805 WeakPolarHBondContact O-CB 3.47Å; C801-C805 PolarHBondContact O-N 2.91Å
802	E	72.1	Confident	74.1	Confident	46 Å²	46	58.1 Å²	58.1	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-69.4	-29.4	-178	-72.5	-176.5	162.2	0	0	112.3	C780 K798 D799 R806 L809	C780-E802 HydrophobicContact CB-CG 4.03Å; C780-E802 VanDerWaalsContact SG-CG 3.54Å; C780-E802 PolarHBondContact SG-N 3.11Å; K798-E802 WeakPolarHBondContact CE-OE1 3.41Å; K798-E802 HydrophobicContact CG-CG 4.25Å; K798-E802 IonicContact NZ-OE1 3.82Å; K798-E802 PolarHBondContact NZ-OE1 2.72Å; K798-E802 IonicContact NZ-OE2 2.68Å; K798-E802 PolarHBondContact NZ-OE2 2.97Å; K798-E802 WeakPolarHBondContact O-CB 3.4Å; K798-E802 WeakPolarHBondContact O-CG 3.49Å; K798-E802 PolarHBondContact O-N 3.07Å; D799-E802 PolarHBondContact O-N 2.95Å; E802-R806 WeakPolarHBondContact O-CA 3.4Å; E802-R806 WeakPolarHBondContact O-CG 3.36Å; E802-R806 PolarHBondContact O-N 2.92Å; E802-L809 HydrophobicContact CG-CD1 4.44Å
803	S	67.1	Low	73.8	Confident	47 Å²	47	59 Å²	59	33%	0.329	31%	0.312	S	S	.	.	H	α-helix	trans	-79.2	-29.5	173.4	62.5	0	0	0	0	113.3	D799 A800 C801 R806	D799-S803 WeakPolarHBondContact O-CB 3.25Å; D799-S803 PolarHBondContact O-N 2.75Å; D799-S803 PolarHBondContact O-OG 2.77Å; A800-S803 WeakPolarHBondContact CA-OG 3.48Å; A800-S803 PolarHBondContact O-OG 3.13Å; A800-S803 VanDerWaalsContact O-OG 3.14Å; C801-S803 VanDerWaalsContact C-N 3.31Å; C801-S803 PolarHBondContact O-N 3.32Å; S803-R806 PolarHBondContact O-NE 3.44Å; S803-R806 PolarHBondContact O-NH2 2.9Å
804	T	72	Confident	73.1	Confident	72 Å²	72	63.3 Å²	63.3	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-77.3	-40	174.2	-54.6	0	0	0	0	111.4	F795 A800 C801	F795-T804 HydrophobicContact CE1-CG2 3.8Å; F795-T804 HydrophobicContact CZ-CG2 4.03Å; A800-T804 WeakPolarHBondContact O-CB 3.37Å; A800-T804 PolarHBondContact O-N 2.74Å; A800-T804 PolarHBondContact O-OG1 3.17Å; C801-T804 PolarHBondContact O-N 2.84Å
805	C	74.9	Confident	72.3	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.054	36%	0.361	C	S	.	.	S	Bend	trans	-105.7	32.7	-174.9	-49.8	0	0	0	0	113.4	C755 F773 C801 D807 A808	C755-C805 HydrophobicContact CB-CB 4.03Å; C755-C805 WeakPolarHBondContact CB-SG 2.95Å; C755-C805 WeakPolarHBondContact SG-CB 3.49Å; C755-C805 CovalentContact SG-SG 2.04Å; C755-C805 PolarHBondContact SG-SG 2.78Å; F773-C805 HydrophobicContact CB-CB 4.14Å; F773-C805 WeakPolarHBondContact CB-SG 3.42Å; F773-C805 HydrophobicContact CD1-CB 3.98Å; F773-C805 HydrophobicContact CD2-CB 3.44Å; F773-C805 VanDerWaalsContact CD2-CB 3.44Å; F773-C805 HydrophobicContact CE1-CB 4.27Å; F773-C805 HydrophobicContact CE2-CB 3.81Å; F773-C805 HydrophobicContact CG-CB 3.55Å; F773-C805 WeakPolarHBondContact CG-SG 3.06Å; F773-C805 HydrophobicContact CZ-CB 4.23Å; C801-C805 WeakPolarHBondContact O-CB 3.47Å; C801-C805 PolarHBondContact O-N 2.91Å; C805-D807 PolarHBondContact O-N 2.78Å; C805-A808 PolarHBondContact O-N 3.49Å
806	R	63.3	Low	72	Confident	163 Å²	163	70.8 Å²	70.8	62%	0.615	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-51.3	-43.5	-169.6	-89.9	179.5	-96	-140.4	-8.1	115.8	E802 S803 A808	E802-R806 WeakPolarHBondContact O-CA 3.4Å; E802-R806 WeakPolarHBondContact O-CG 3.36Å; E802-R806 PolarHBondContact O-N 2.92Å; S803-R806 PolarHBondContact O-NE 3.44Å; S803-R806 PolarHBondContact O-NH2 2.9Å; R806-A808 PolarHBondContact O-N 2.94Å; R806-A808 VanDerWaalsContact O-N 3.12Å
807	D	59	Low	71.9	Confident	158 Å²	158	66.6 Å²	66.6	85%	0.845	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-71.4	-10.4	-167.9	-62.7	-37	0	0	0	113.8	C805	C805-D807 PolarHBondContact O-N 2.78Å
808	A	57.7	Low	71.7	Confident	25 Å²	25	64.8 Å²	64.8	21%	0.207	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-85.2	-13.2	-173.2	0	0	0	0	0	114.6	F773 K778 C805 R806	F773-A808 HydrophobicContact CE1-CB 3.81Å; F773-A808 HydrophobicContact CE2-CB 4.17Å; F773-A808 HydrophobicContact CZ-CB 3.27Å; K778-A808 WeakPolarHBondContact CB-O 3.06Å; K778-A808 HydrophobicContact CD-CB 3.96Å; C805-A808 PolarHBondContact O-N 3.49Å; R806-A808 PolarHBondContact O-N 2.94Å; R806-A808 VanDerWaalsContact O-N 3.12Å
809	L	61.5	Low	71.4	Confident	57 Å²	57	63.1 Å²	63.1	30%	0.298	35%	0.354	S	S	.	.	S	Bend	trans	-85.3	-1.5	-165.2	-85.5	161.5	0	0	0	117.6	K778 E802	K778-L809 WeakPolarHBondContact O-CD2 3.34Å; E802-L809 HydrophobicContact CG-CD1 4.44Å
810	K	66	Low	71.1	Confident	164 Å²	164	57.6 Å²	57.6	71%	0.713	33%	0.325	S	S	*	.			trans	32.2	94.4	175.5	-69.4	-167.4	174.9	-169.2	0	117	H872	K810-H872 PolarHBondContact O-CE1 3.08Å; K810-H872 PolarHBondContact O-NE2 3.5Å
811	I	77.9	Confident	70	Confident	21 Å²	21	59.1 Å²	59.1	11%	0.108	33%	0.333	C	S	.	.			trans	-89.5	-41.2	-174.7	-68.4	157.9	0	0	0	114.7	P817 V852 L897 G898	I811-P817 HydrophobicContact CB-CG 4.42Å; I811-V852 HydrophobicContact CG2-CG2 4Å; I811-L897 HydrophobicContact CB-CD2 4.32Å; I811-L897 HydrophobicContact CG1-CD2 3.94Å; I811-L897 HydrophobicContact CG2-CD2 4.09Å; I811-G898 PolarHBondContact O-N 3.46Å
812	C	82	Confident	68.3	Low	6 Å²	6	59.4 Å²	59.4	4%	0.041	34%	0.335	C	S	.	.	S	Bend	trans	-85.9	154.8	171.8	-61.4	0	0	0	0	110.4	P817 C854	C812-P817 VanDerWaalsContact SG-CA 3.57Å; C812-C854 VanDerWaalsContact CA-SG 3.58Å; C812-C854 HydrophobicContact CB-CB 3.89Å; C812-C854 WeakPolarHBondContact CB-SG 3.46Å; C812-C854 VanDerWaalsContact SG-CA 3.53Å; C812-C854 WeakPolarHBondContact SG-CB 3Å; C812-C854 CovalentContact SG-SG 2.04Å; C812-C854 PolarHBondContact SG-SG 3.41Å
813	A	75.3	Confident	67.5	Low	53 Å²	53	58.6 Å²	58.6	44%	0.438	34%	0.339	S	S	.	.	S	Bend	trans	-71.7	-49.1	173.3	0	0	0	0	0	111.3	G899	A813-G899 WeakPolarHBondContact CB-O 3.17Å
814	N	70.3	Confident	67.1	Low	92 Å²	92	58.8 Å²	58.8	49%	0.492	34%	0.335	S	S	.	.	S	Bend	trans	-110.2	126.8	177.3	-68.5	-28.5	0	0	0	109.9	P855 D857	N814-P855 WeakPolarHBondContact O-CD 3.33Å; N814-P855 WeakPolarHBondContact O-CG 3.29Å; N814-D857 PolarHBondContact ND2-OD1 2.67Å
815	G	71.1	Confident	66.9	Low	61 Å²	61	60.7 Å²	60.7	63%	0.629	33%	0.334	S	S	*	.	S	Bend	trans	66	-162.9	179.3	0	0	0	0	0	115.4
816	L	77.4	Confident	66.8	Low	137 Å²	137	62.6 Å²	62.6	72%	0.717	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-102.2	153.9	175.1	-65.9	175	0	0	0	110	P855	L816-P855 WeakPolarHBondContact O-CD 3.3Å; L816-P855 WeakPolarHBondContact O-CG 3.32Å
817	P	80.2	Confident	67.2	Low	11 Å²	11	61.2 Å²	61.2	7%	0.071	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-54.3	143.7	172.7	-22.4	31.2	0	0	0	111.9	I811 C812 V819 R825 V852 C853	I811-P817 HydrophobicContact CB-CG 4.42Å; C812-P817 VanDerWaalsContact SG-CA 3.57Å; P817-V819 PolarHBondContact O-N 2.72Å; P817-R825 HydrophobicContact CB-CB 4.38Å; P817-R825 HydrophobicContact CB-CG 4.09Å; P817-R825 HydrophobicContact CG-CG 4.49Å; P817-V852 HydrophobicContact CB-CB 4.1Å; P817-V852 HydrophobicContact CB-CG2 3.8Å; P817-V852 HydrophobicContact CG-CG2 3.98Å; P817-C853 CarbonylContact C-O 3.59Å; P817-C853 VanDerWaalsContact CA-O 3.26Å; P817-C853 WeakPolarHBondContact CA-O 3.25Å
818	A	76.2	Confident	67.8	Low	3 Å²	3	54.1 Å²	54.1	3%	0.025	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-55.3	131.2	170.3	0	0	0	0	0	108.8	R825 L826 Y840 C853	A818-R825 CarbonylContact O-C 3.51Å; A818-R825 WeakPolarHBondContact O-CA 3.19Å; A818-L826 HydrophobicContact CB-CD1 4.16Å; A818-L826 PolarHBondContact O-N 2.79Å; A818-Y840 HydrophobicContact CB-CD1 3.24Å; A818-Y840 HydrophobicContact CB-CD2 4.28Å; A818-Y840 HydrophobicContact CB-CE1 3.32Å; A818-Y840 HydrophobicContact CB-CE2 4.34Å; A818-Y840 HydrophobicContact CB-CG 3.77Å; A818-C853 HydrophobicContact CB-CB 3.57Å; A818-C853 PolarHBondContact N-O 3.48Å
819	V	70.6	Confident	68.3	Low	56 Å²	56	55.6 Å²	55.6	34%	0.339	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-104.5	137.5	171.3	-67.1	0	0	0	0	108.7	P817 G823 E824 R825	P817-V819 PolarHBondContact O-N 2.72Å; V819-G823 VanDerWaalsContact CG1-O 3.24Å; V819-G823 WeakPolarHBondContact CG1-O 3.42Å; V819-E824 CarbonylContact C-O 3.57Å; V819-E824 VanDerWaalsContact CA-O 3.29Å; V819-E824 WeakPolarHBondContact CA-O 3.33Å; V819-R825 HydrophobicContact CG1-CG 4.36Å
820	G	61.5	Low	68.3	Low	3 Å²	3	59 Å²	59	3%	0.031	33%	0.33	C	S	.	.			trans	-63.4	163.5	161.5	0	0	0	0	0	107.5	A822 G823 E824	G820-A822 PolarHBondContact O-N 2.82Å; G820-G823 PolarHBondContact O-N 3.09Å; G820-E824 PolarHBondContact N-O 2.86Å
821	P	53.8	Low	67.4	Low	59 Å²	59	55.6 Å²	55.6	38%	0.383	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.3	-46.6	-176.7	-21.9	18.2	0	0	0	113.4	G823 T1592 V1598	P821-G823 PolarHBondContact O-N 2.87Å; P821-T1592 HydrophobicContact CB-CG2 3.91Å; P821-T1592 VanDerWaalsContact CD-CG2 3.49Å; P821-T1592 HydrophobicContact CG-CG2 3.92Å; P821-V1598 HydrophobicContact CB-CG2 3.85Å; P821-V1598 WeakPolarHBondContact O-CB 3.46Å; P821-V1598 WeakPolarHBondContact O-CG1 3.49Å; P821-V1598 WeakPolarHBondContact O-CG2 3.38Å
822	A	44.2	Very low	65.6	Low	5 Å²	5	61 Å²	61	4%	0.041	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	7.7	179.3	0	0	0	0	0	118.2	G820 E824 T1592 Q1596 V1597	G820-A822 PolarHBondContact O-N 2.82Å; A822-E824 HydrophobicContact CB-CG 4.2Å; A822-E824 PolarHBondContact O-N 2.85Å; A822-E824 VanDerWaalsContact O-N 3.13Å; A822-T1592 HydrophobicContact CB-CG2 3.55Å; A822-T1592 VanDerWaalsContact CB-OG1 3.32Å; A822-T1592 WeakPolarHBondContact CB-OG1 3.36Å; A822-Q1596 HydrophobicContact CB-CB 3.31Å; A822-Q1596 WeakPolarHBondContact CB-O 3.38Å; A822-V1597 CarbonylContact C-O 3.54Å; A822-V1597 WeakPolarHBondContact CA-O 3.25Å
823	G	56.2	Low	63.6	Low	30 Å²	30	64.9 Å²	64.9	31%	0.309	38%	0.379	S	S	.	.	S	Bend	trans	73	-3.6	-171.6	0	0	0	0	0	113.6	V819 G820 P821 R825	V819-G823 VanDerWaalsContact CG1-O 3.24Å; V819-G823 WeakPolarHBondContact CG1-O 3.42Å; G820-G823 PolarHBondContact O-N 3.09Å; P821-G823 PolarHBondContact O-N 2.87Å; G823-R825 PolarHBondContact O-N 3.37Å
824	E	58.1	Low	62.2	Low	51 Å²	51	66.9 Å²	66.9	24%	0.238	39%	0.39	C	S	.	.			trans	-66.1	122.7	171.4	63.7	-170.1	134.8	0	0	109.4	V819 G820 A822 L826 T1592 V1594 Q1596	V819-E824 CarbonylContact C-O 3.57Å; V819-E824 VanDerWaalsContact CA-O 3.29Å; V819-E824 WeakPolarHBondContact CA-O 3.33Å; G820-E824 PolarHBondContact N-O 2.86Å; A822-E824 HydrophobicContact CB-CG 4.2Å; A822-E824 PolarHBondContact O-N 2.85Å; A822-E824 VanDerWaalsContact O-N 3.13Å; E824-L826 PolarHBondContact O-N 3.19Å; E824-L826 VanDerWaalsContact O-N 3.15Å; E824-T1592 HydrophobicContact CG-CG2 4.17Å; E824-T1592 WeakPolarHBondContact OE1-CB 3.03Å; E824-T1592 WeakPolarHBondContact OE1-CG2 3.34Å; E824-T1592 PolarHBondContact OE1-OG1 2.9Å; E824-V1594 WeakPolarHBondContact OE1-CG2 3.2Å; E824-Q1596 VanDerWaalsContact OE2-CD 3.29Å; E824-Q1596 PolarHBondContact OE2-NE2 3.43Å; E824-Q1596 PolarHBondContact OE2-OE1 2.96Å
825	R	67.7	Low	61.6	Low	111 Å²	111	64.2 Å²	64.2	42%	0.419	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-59.7	121.8	177.7	-64.2	177.4	-179.1	150	1	108.3	P817 A818 V819 G823 Q827 V852	P817-R825 HydrophobicContact CB-CB 4.38Å; P817-R825 HydrophobicContact CB-CG 4.09Å; P817-R825 HydrophobicContact CG-CG 4.49Å; A818-R825 CarbonylContact O-C 3.51Å; A818-R825 WeakPolarHBondContact O-CA 3.19Å; V819-R825 HydrophobicContact CG1-CG 4.36Å; G823-R825 PolarHBondContact O-N 3.37Å; R825-Q827 PolarHBondContact O-N 3.42Å; R825-V852 HydrophobicContact CB-CG1 3.84Å
826	L	72.2	Confident	61.6	Low	48 Å²	48	63.2 Å²	63.2	25%	0.251	36%	0.363	S	S	.	.			trans	-60.9	107	-178.5	-84.3	156.4	0	0	0	109	A818 E824 P837 V852 C853	A818-L826 HydrophobicContact CB-CD1 4.16Å; A818-L826 PolarHBondContact O-N 2.79Å; E824-L826 PolarHBondContact O-N 3.19Å; E824-L826 VanDerWaalsContact O-N 3.15Å; L826-P837 HydrophobicContact CD1-CG 3.86Å; L826-V852 CarbonylContact O-C 3.51Å; L826-V852 VanDerWaalsContact O-CA 3.3Å; L826-V852 WeakPolarHBondContact O-CA 3.42Å; L826-C853 HydrophobicContact CB-CB 4.22Å; L826-C853 PolarHBondContact O-N 3.36Å
827	Q	71.6	Confident	61.3	Low	134 Å²	134	59.7 Å²	59.7	63%	0.626	35%	0.348	S	S	*	.			trans	-73.6	139.9	170.4	-69.6	-177.6	-13.2	0	0	108.6	R825 P848	R825-Q827 PolarHBondContact O-N 3.42Å; Q827-P848 PolarHBondContact NE2-O 2.9Å
828	C	73.2	Confident	60.8	Low	9 Å²	9	63.8 Å²	63.8	6%	0.061	38%	0.383	C	S	.	.			trans	-128.4	150	178.1	53.6	0	0	0	0	109.4	A835 C842 T851	C828-A835 HydrophobicContact CB-CB 3.83Å; C828-C842 HydrophobicContact CB-CB 3.73Å; C828-C842 WeakPolarHBondContact CB-SG 3.12Å; C828-C842 WeakPolarHBondContact SG-CA 3.37Å; C828-C842 WeakPolarHBondContact SG-CB 3.46Å; C828-C842 CovalentContact SG-SG 2.02Å; C828-C842 PolarHBondContact SG-SG 3.44Å; C828-T851 WeakPolarHBondContact O-CG2 3.37Å
829	S	68.3	Low	60.6	Low	57 Å²	57	65.2 Å²	65.2	40%	0.399	40%	0.399	S	S	.	.			trans	-141.6	166.5	-175.5	62.4	0	0	0	0	109.6	S831	S829-S831 VanDerWaalsContact C-N 3.26Å; S829-S831 PolarHBondContact O-N 3.18Å
830	E	60	Low	61.2	Low	129 Å²	129	66.5 Å²	66.5	60%	0.603	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.1	-179.4	-70	-169.4	111.1	0	0	114.6	F844 L905	E830-F844 HydrophobicContact CG-CE1 4.42Å; E830-F844 HydrophobicContact CG-CZ 4.23Å; E830-L905 HydrophobicContact CG-CD2 4.37Å; E830-L905 WeakPolarHBondContact OE1-CD2 3.2Å
831	S	48.2	Very low	62.1	Low	92 Å²	92	67.9 Å²	67.9	64%	0.643	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	5.8	-157.8	64.7	0	0	0	0	117.3	S829	S829-S831 VanDerWaalsContact C-N 3.26Å; S829-S831 PolarHBondContact O-N 3.18Å
832	E	39.3	Very low	63.5	Low	135 Å²	135	66.5 Å²	66.5	63%	0.631	39%	0.393	S	S	*	.	S	Bend	trans	-130.4	135	-175.7	-76.3	-70.5	167.6	0	0	112.9	S834	E832-S834 PolarHBondContact O-N 2.74Å; E832-S834 VanDerWaalsContact O-N 3.08Å
833	S	40.6	Very low	65.6	Low	86 Å²	86	66.2 Å²	66.2	60%	0.601	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	10.1	-148.8	-51.4	0	0	0	0	119.6
834	S	46	Very low	66.9	Low	96 Å²	96	67 Å²	67	67%	0.671	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-170.5	68.3	174.2	-80.4	0	0	0	0	112.9	E832	E832-S834 PolarHBondContact O-N 2.74Å; E832-S834 VanDerWaalsContact O-N 3.08Å
835	A	57.5	Low	68.2	Low	35 Å²	35	65 Å²	65	29%	0.289	38%	0.379	S	S	.	.			trans	-86.1	-26.8	-169.9	0	0	0	0	0	117	C828	C828-A835 HydrophobicContact CB-CB 3.83Å
836	C	71.9	Confident	68.8	Low	41 Å²	41	62.4 Å²	62.4	28%	0.277	38%	0.382	S	S	.	.	S	Bend	trans	-115.6	139.6	-177.9	-64.8	0	0	0	0	113	C853	C836-C853 WeakPolarHBondContact CA-SG 3.23Å; C836-C853 HydrophobicContact CB-CB 3.9Å; C836-C853 WeakPolarHBondContact CB-SG 3.47Å; C836-C853 WeakPolarHBondContact SG-CB 3.14Å; C836-C853 CovalentContact SG-SG 2.04Å; C836-C853 PolarHBondContact SG-SG 2.71Å
837	P	71	Confident	69	Low	62 Å²	62	62.3 Å²	62.3	40%	0.403	39%	0.385	S	S	.	.			trans	-65.2	162.3	175.9	-20.5	33	0	0	0	113.3	L826 G839 Y840	L826-P837 HydrophobicContact CD1-CG 3.86Å; P837-G839 PolarHBondContact O-N 2.84Å; P837-Y840 HydrophobicContact CB-CD2 4.31Å; P837-Y840 WeakPolarHBondContact O-CB 3.18Å; P837-Y840 PolarHBondContact O-N 2.65Å
838	A	68	Low	69.2	Low	97 Å²	97	60.9 Å²	60.9	80%	0.802	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	138.7	170.1	0	0	0	0	0	111.1	Y840	A838-Y840 VanDerWaalsContact C-N 3.3Å
839	G	73.2	Confident	69.2	Low	34 Å²	34	68.7 Å²	68.7	35%	0.351	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	1.1	-173	0	0	0	0	0	115.1	P837 K856	P837-G839 PolarHBondContact O-N 2.84Å; G839-K856 WeakPolarHBondContact O-CB 3.43Å; G839-K856 WeakPolarHBondContact O-CG 3.22Å; G839-K856 PolarHBondContact O-N 2.8Å
840	Y	82.7	Confident	69.7	Low	82 Å²	82	67 Å²	67	32%	0.322	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	161.1	174.2	-69.9	-100.5	0	0	0	111.8	A818 P837 A838 C854 P855 K856	A818-Y840 HydrophobicContact CB-CD1 3.24Å; A818-Y840 HydrophobicContact CB-CD2 4.28Å; A818-Y840 HydrophobicContact CB-CE1 3.32Å; A818-Y840 HydrophobicContact CB-CE2 4.34Å; A818-Y840 HydrophobicContact CB-CG 3.77Å; P837-Y840 HydrophobicContact CB-CD2 4.31Å; P837-Y840 WeakPolarHBondContact O-CB 3.18Å; P837-Y840 PolarHBondContact O-N 2.65Å; A838-Y840 VanDerWaalsContact C-N 3.3Å; Y840-C854 CarbonylContact C-O 3.51Å; Y840-C854 VanDerWaalsContact CA-O 3.26Å; Y840-C854 WeakPolarHBondContact CA-O 3.02Å; Y840-C854 WeakPolarHBondContact CB-O 3.06Å; Y840-C854 WeakPolarHBondContact CD1-O 3Å; Y840-P855 HydrophobicContact CD1-CB 4.43Å; Y840-P855 HydrophobicContact CD1-CG 4.19Å; Y840-P855 HydrophobicContact CE1-CB 4.18Å; Y840-P855 HydrophobicContact CE1-CG 3.64Å; Y840-K856 WeakPolarHBondContact O-CE 3.28Å
841	W	80.5	Confident	71	Confident	33 Å²	33	61.8 Å²	61.8	13%	0.125	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.3	174.4	68.4	-78.4	0	0	0	110.2	H843 C853 C854 P855 K856 S900 E901	W841-H843 HydrophobicContact CH2-CB 3.91Å; W841-H843 HydrophobicContact CZ2-CB 4.08Å; W841-H843 HydrophobicContact CZ3-CB 4.16Å; W841-H843 PolarHBondContact O-N 3.17Å; W841-C853 CarbonylContact O-C 3.1Å; W841-C853 VanDerWaalsContact O-CA 3.24Å; W841-C853 WeakPolarHBondContact O-CA 3.46Å; W841-C854 HydrophobicContact CZ2-CB 4.39Å; W841-C854 PolarHBondContact N-O 3.01Å; W841-C854 PolarHBondContact O-N 2.88Å; W841-P855 VanDerWaalsContact CD1-O 3.28Å; W841-P855 PolarHBondContact NE1-O 2.82Å; W841-P855 VanDerWaalsContact NE1-O 3.11Å; W841-K856 HydrophobicContact CB-CG 4.37Å; W841-S900 VanDerWaalsContact CH2-C 3.49Å; W841-S900 WeakPolarHBondContact CH2-O 3.37Å; W841-S900 VanDerWaalsContact CZ2-C 3.48Å; W841-E901 HydrophobicContact CB-CG 4.22Å; W841-E901 HydrophobicContact CD2-CB 4.41Å; W841-E901 HydrophobicContact CD2-CG 3.82Å; W841-E901 HydrophobicContact CG-CG 3.62Å
842	C	83.8	Confident	72.7	Confident	29 Å²	29	57.5 Å²	57.5	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	105.2	178.4	-177.4	0	0	0	0	111.3	C828 F844	C828-C842 HydrophobicContact CB-CB 3.73Å; C828-C842 WeakPolarHBondContact CB-SG 3.12Å; C828-C842 WeakPolarHBondContact SG-CA 3.37Å; C828-C842 WeakPolarHBondContact SG-CB 3.46Å; C828-C842 CovalentContact SG-SG 2.02Å; C828-C842 PolarHBondContact SG-SG 3.44Å; C842-F844 HydrophobicContact CB-CE2 4.01Å; C842-F844 HydrophobicContact CB-CZ 4.45Å; C842-F844 PolarHBondContact O-N 3.38Å; C842-F844 WeakPolarHBondContact SG-CE2 3.41Å; C842-F844 WeakPolarHBondContact SG-CZ 3.35Å
843	H	87.2	Confident	75	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.5	170.6	160.1	-94.6	0	0	0	109.3	W841 G845 T850 T851 V852 C854 Y894 G896 L897 G898	W841-H843 HydrophobicContact CH2-CB 3.91Å; W841-H843 HydrophobicContact CZ2-CB 4.08Å; W841-H843 HydrophobicContact CZ3-CB 4.16Å; W841-H843 PolarHBondContact O-N 3.17Å; H843-G845 WeakPolarHBondContact CE1-CA 3Å; H843-T850 PolarHBondContact CE1-O 2.83Å; H843-T850 PolarHBondContact ND1-O 2.83Å; H843-T851 CarbonylContact O-C 3.58Å; H843-T851 VanDerWaalsContact O-CA 3.22Å; H843-T851 WeakPolarHBondContact O-CA 3.46Å; H843-V852 WeakPolarHBondContact CA-O 3.48Å; H843-V852 WeakPolarHBondContact CB-O 3.41Å; H843-V852 PolarHBondContact N-O 3.12Å; H843-V852 PolarHBondContact O-N 3.08Å; H843-C854 HydrophobicContact CB-CB 3.93Å; H843-C854 WeakPolarHBondContact CB-SG 3.37Å; H843-Y894 PolarHBondContact CD2-OH 2.97Å; H843-Y894 AromaticContact NE2-CE1 3.29Å; H843-Y894 VanDerWaalsContact NE2-CE1 3.29Å; H843-Y894 WeakPolarHBondContact NE2-CE1 3.44Å; H843-Y894 AromaticContact NE2-CZ 2.89Å; H843-Y894 CovalentContact NE2-OH 1.8Å; H843-Y894 PolarHBondContact NE2-OH 3.43Å; H843-G896 PolarHBondContact CE1-O 3.05Å; H843-G896 VanDerWaalsContact CE1-O 3.25Å; H843-L897 WeakPolarHBondContact NE2-CA 3.01Å; H843-G898 PolarHBondContact CD2-O 2.85Å; H843-G898 PolarHBondContact NE2-N 3.42Å; H843-G898 PolarHBondContact NE2-O 3.34Å
844	F	85.1	Confident	77.1	Confident	47 Å²	47	47.1 Å²	47.1	21%	0.206	30%	0.297	C	S	.	.			trans	-92.7	104.3	175.1	-71.4	-85.7	0	0	0	110.8	E830 C842 T851 R879 Y894	E830-F844 HydrophobicContact CG-CE1 4.42Å; E830-F844 HydrophobicContact CG-CZ 4.23Å; C842-F844 HydrophobicContact CB-CE2 4.01Å; C842-F844 HydrophobicContact CB-CZ 4.45Å; C842-F844 PolarHBondContact O-N 3.38Å; C842-F844 WeakPolarHBondContact SG-CE2 3.41Å; C842-F844 WeakPolarHBondContact SG-CZ 3.35Å; F844-T851 HydrophobicContact CD1-CG2 3.57Å; F844-T851 HydrophobicContact CE1-CG2 4Å; F844-T851 HydrophobicContact CG-CG2 4.25Å; F844-R879 PolarHBondContact O-NH1 3.38Å; F844-R879 PolarHBondContact O-NH2 2.88Å; F844-Y894 WeakPolarHBondContact O-CE1 3.47Å
845	G	83.8	Confident	78.8	Confident	9 Å²	9	43.9 Å²	43.9	9%	0.093	27%	0.273	C	S	.	.			trans	-85.8	-167.8	179.1	0	0	0	0	0	114.6	H843 S847 T850 T851 G896	H843-G845 WeakPolarHBondContact CE1-CA 3Å; G845-S847 VanDerWaalsContact C-N 3.29Å; G845-S847 PolarHBondContact O-N 3.23Å; G845-T850 WeakPolarHBondContact CA-O 3.37Å; G845-T850 PolarHBondContact N-O 3.48Å; G845-T851 PolarHBondContact N-OG1 3.1Å; G845-G896 VanDerWaalsContact CA-O 3.23Å; G845-G896 WeakPolarHBondContact CA-O 3.44Å
846	A	80.6	Confident	79.7	Confident	56 Å²	56	45.4 Å²	45.4	46%	0.463	27%	0.273	S	S	.	.	S	Bend	trans	-72.8	-11.9	176.9	0	0	0	0	0	115.8	T850 A875 L877 G896	A846-T850 PolarHBondContact N-OG1 3.4Å; A846-T850 VanDerWaalsContact N-OG1 3.17Å; A846-A875 HydrophobicContact CB-CB 3.52Å; A846-L877 HydrophobicContact CB-CD1 4.39Å; A846-G896 PolarHBondContact N-O 2.86Å
847	S	77.8	Confident	79.5	Confident	46 Å²	46	47.2 Å²	47.2	32%	0.322	28%	0.28	S	S	.	.	S	Bend	trans	-154.4	162.1	-175.4	73.3	0	0	0	0	110.5	G845 K849 T850 T851	G845-S847 VanDerWaalsContact C-N 3.29Å; G845-S847 PolarHBondContact O-N 3.23Å; S847-K849 PolarHBondContact O-N 3.1Å; S847-K849 PolarHBondContact OG-N 3.24Å; S847-T850 PolarHBondContact N-OG1 2.04Å; S847-T850 CarbonylContact O-C 3.53Å; S847-T850 PolarHBondContact O-N 3.21Å; S847-T850 PolarHBondContact O-OG1 2.85Å; S847-T850 PolarHBondContact OG-N 2.98Å; S847-T850 PolarHBondContact OG-OG1 3.18Å; S847-T850 VanDerWaalsContact OG-OG1 3.07Å; S847-T851 PolarHBondContact O-N 2.83Å; S847-T851 PolarHBondContact O-OG1 3.3Å
848	P	75.2	Confident	79	Confident	104 Å²	104	47.3 Å²	47.3	68%	0.675	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.1	173.3	-26	35.3	0	0	0	114.6	Q827 T850	Q827-P848 PolarHBondContact NE2-O 2.9Å; P848-T850 VanDerWaalsContact C-N 3.35Å
849	K	71.7	Confident	78.5	Confident	172 Å²	172	49.2 Å²	49.2	75%	0.748	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.8	175.4	-66.7	-176.8	179.7	177.6	0	113.6	S847	S847-K849 PolarHBondContact O-N 3.1Å; S847-K849 PolarHBondContact OG-N 3.24Å
850	T	80.5	Confident	77.6	Confident	22 Å²	22	51.1 Å²	51.1	14%	0.135	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	0.4	179.1	53.7	0	0	0	0	112.6	H843 G845 A846 S847 P848 L897	H843-T850 PolarHBondContact CE1-O 2.83Å; H843-T850 PolarHBondContact ND1-O 2.83Å; G845-T850 WeakPolarHBondContact CA-O 3.37Å; G845-T850 PolarHBondContact N-O 3.48Å; A846-T850 PolarHBondContact N-OG1 3.4Å; A846-T850 VanDerWaalsContact N-OG1 3.17Å; S847-T850 PolarHBondContact N-OG1 2.04Å; S847-T850 CarbonylContact O-C 3.53Å; S847-T850 PolarHBondContact O-N 3.21Å; S847-T850 PolarHBondContact O-OG1 2.85Å; S847-T850 PolarHBondContact OG-N 2.98Å; S847-T850 PolarHBondContact OG-OG1 3.18Å; S847-T850 VanDerWaalsContact OG-OG1 3.07Å; P848-T850 VanDerWaalsContact C-N 3.35Å; T850-L897 HydrophobicContact CG2-CD2 3.62Å
851	T	86.5	Confident	76.7	Confident	19 Å²	19	48.4 Å²	48.4	12%	0.117	30%	0.3	C	S	.	.			trans	-89.4	107.9	166.5	-64.3	0	0	0	0	109.4	C828 H843 F844 G845 S847	C828-T851 WeakPolarHBondContact O-CG2 3.37Å; H843-T851 CarbonylContact O-C 3.58Å; H843-T851 VanDerWaalsContact O-CA 3.22Å; H843-T851 WeakPolarHBondContact O-CA 3.46Å; F844-T851 HydrophobicContact CD1-CG2 3.57Å; F844-T851 HydrophobicContact CE1-CG2 4Å; F844-T851 HydrophobicContact CG-CG2 4.25Å; G845-T851 PolarHBondContact N-OG1 3.1Å; S847-T851 PolarHBondContact O-N 2.83Å; S847-T851 PolarHBondContact O-OG1 3.3Å
852	V	84.2	Confident	76.1	Confident	2 Å²	2	49 Å²	49	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.9	-169.4	-67	0	0	0	0	110.9	I811 P817 R825 L826 H843 C854	I811-V852 HydrophobicContact CG2-CG2 4Å; P817-V852 HydrophobicContact CB-CB 4.1Å; P817-V852 HydrophobicContact CB-CG2 3.8Å; P817-V852 HydrophobicContact CG-CG2 3.98Å; R825-V852 HydrophobicContact CB-CG1 3.84Å; L826-V852 CarbonylContact O-C 3.51Å; L826-V852 VanDerWaalsContact O-CA 3.3Å; L826-V852 WeakPolarHBondContact O-CA 3.42Å; H843-V852 WeakPolarHBondContact CA-O 3.48Å; H843-V852 WeakPolarHBondContact CB-O 3.41Å; H843-V852 PolarHBondContact N-O 3.12Å; H843-V852 PolarHBondContact O-N 3.08Å; V852-C854 PolarHBondContact O-N 3.26Å
853	C	86.5	Confident	75.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.6	169.8	-60.2	0	0	0	0	110.5	P817 A818 L826 C836 W841	P817-C853 CarbonylContact C-O 3.59Å; P817-C853 VanDerWaalsContact CA-O 3.26Å; P817-C853 WeakPolarHBondContact CA-O 3.25Å; A818-C853 HydrophobicContact CB-CB 3.57Å; A818-C853 PolarHBondContact N-O 3.48Å; L826-C853 HydrophobicContact CB-CB 4.22Å; L826-C853 PolarHBondContact O-N 3.36Å; C836-C853 WeakPolarHBondContact CA-SG 3.23Å; C836-C853 HydrophobicContact CB-CB 3.9Å; C836-C853 WeakPolarHBondContact CB-SG 3.47Å; C836-C853 WeakPolarHBondContact SG-CB 3.14Å; C836-C853 CovalentContact SG-SG 2.04Å; C836-C853 PolarHBondContact SG-SG 2.71Å; W841-C853 CarbonylContact O-C 3.1Å; W841-C853 VanDerWaalsContact O-CA 3.24Å; W841-C853 WeakPolarHBondContact O-CA 3.46Å
854	C	84.5	Confident	75.5	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.027	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	152.4	173.5	-75.8	0	0	0	0	111.3	C812 Y840 W841 H843 V852	C812-C854 VanDerWaalsContact CA-SG 3.58Å; C812-C854 HydrophobicContact CB-CB 3.89Å; C812-C854 WeakPolarHBondContact CB-SG 3.46Å; C812-C854 VanDerWaalsContact SG-CA 3.53Å; C812-C854 WeakPolarHBondContact SG-CB 3Å; C812-C854 CovalentContact SG-SG 2.04Å; C812-C854 PolarHBondContact SG-SG 3.41Å; Y840-C854 CarbonylContact C-O 3.51Å; Y840-C854 VanDerWaalsContact CA-O 3.26Å; Y840-C854 WeakPolarHBondContact CA-O 3.02Å; Y840-C854 WeakPolarHBondContact CB-O 3.06Å; Y840-C854 WeakPolarHBondContact CD1-O 3Å; W841-C854 HydrophobicContact CZ2-CB 4.39Å; W841-C854 PolarHBondContact N-O 3.01Å; W841-C854 PolarHBondContact O-N 2.88Å; H843-C854 HydrophobicContact CB-CB 3.93Å; H843-C854 WeakPolarHBondContact CB-SG 3.37Å; V852-C854 PolarHBondContact O-N 3.26Å
855	P	82.4	Confident	75.3	Confident	27 Å²	27	51.2 Å²	51.2	18%	0.175	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	146	176.1	-22.7	32.2	0	0	0	112.2	N814 L816 Y840 W841	N814-P855 WeakPolarHBondContact O-CD 3.33Å; N814-P855 WeakPolarHBondContact O-CG 3.29Å; L816-P855 WeakPolarHBondContact O-CD 3.3Å; L816-P855 WeakPolarHBondContact O-CG 3.32Å; Y840-P855 HydrophobicContact CD1-CB 4.43Å; Y840-P855 HydrophobicContact CD1-CG 4.19Å; Y840-P855 HydrophobicContact CE1-CB 4.18Å; Y840-P855 HydrophobicContact CE1-CG 3.64Å; W841-P855 VanDerWaalsContact CD1-O 3.28Å; W841-P855 PolarHBondContact NE1-O 2.82Å; W841-P855 VanDerWaalsContact NE1-O 3.11Å
856	K	76	Confident	75	Confident	67 Å²	67	51.4 Å²	51.4	29%	0.291	33%	0.325	S	S	.	.			trans	-78.4	154.3	165.7	-67.5	-172.8	167.3	-103.1	0	110.6	G839 Y840 W841 S858 E901	G839-K856 WeakPolarHBondContact O-CB 3.43Å; G839-K856 WeakPolarHBondContact O-CG 3.22Å; G839-K856 PolarHBondContact O-N 2.8Å; Y840-K856 WeakPolarHBondContact O-CE 3.28Å; W841-K856 HydrophobicContact CB-CG 4.37Å; K856-S858 VanDerWaalsContact C-N 3.26Å; K856-S858 PolarHBondContact O-N 3.14Å; K856-E901 WeakPolarHBondContact CA-OE1 3.46Å; K856-E901 VanDerWaalsContact CB-OE1 3.3Å; K856-E901 WeakPolarHBondContact CB-OE1 3.49Å; K856-E901 WeakPolarHBondContact CE-OE2 3.4Å; K856-E901 WeakPolarHBondContact CG-OE1 3.38Å; K856-E901 IonicContact NZ-OE2 3.04Å; K856-E901 PolarHBondContact NZ-OE2 3.45Å
857	D	67.7	Low	75.1	Confident	79 Å²	79	54.5 Å²	54.5	42%	0.422	34%	0.338	S	S	.	.	S	Bend	trans	-71.4	-21.9	179.1	-67.5	-25.3	0	0	0	112.5	N814 S861	N814-D857 PolarHBondContact ND2-OD1 2.67Å; D857-S861 PolarHBondContact N-OG 3.3Å
858	S	61.2	Low	75.4	Confident	65 Å²	65	55.2 Å²	55.2	46%	0.455	34%	0.338	S	S	.	.	S	Bend	trans	-155.3	155.7	171.2	-62.9	0	0	0	0	111.4	K856 G860 S861	K856-S858 VanDerWaalsContact C-N 3.26Å; K856-S858 PolarHBondContact O-N 3.14Å; S858-G860 PolarHBondContact O-N 2.84Å; S858-S861 PolarHBondContact N-OG 2.65Å; S858-S861 VanDerWaalsContact N-OG 3.08Å; S858-S861 PolarHBondContact O-N 2.63Å; S858-S861 PolarHBondContact O-OG 3.18Å
859	P	57.9	Low	75.9	Confident	136 Å²	136	52.3 Å²	52.3	88%	0.883	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.2	175.2	-26.2	35.8	0	0	0	115.2
860	G	52.9	Low	76.4	Confident	75 Å²	75	48.9 Å²	48.9	77%	0.773	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	19.8	172	0	0	0	0	0	114.4	S858 S862	S858-G860 PolarHBondContact O-N 2.84Å; G860-S862 PolarHBondContact O-N 2.97Å
861	S	63.7	Low	76.4	Confident	25 Å²	25	49 Å²	49	18%	0.175	32%	0.315	C	S	.	.			trans	-67.1	127.1	174	52.4	0	0	0	0	110.4	D857 S858 E901	D857-S861 PolarHBondContact N-OG 3.3Å; S858-S861 PolarHBondContact N-OG 2.65Å; S858-S861 VanDerWaalsContact N-OG 3.08Å; S858-S861 PolarHBondContact O-N 2.63Å; S858-S861 PolarHBondContact O-OG 3.18Å; S861-E901 PolarHBondContact OG-OE1 2.92Å
862	S	69.4	Low	76	Confident	44 Å²	44	53 Å²	53	31%	0.308	33%	0.332	S	S	.	.			trans	-76.8	140.5	167.1	-176.2	0	0	0	0	109.7	G860 C864 D865 A866	G860-S862 PolarHBondContact O-N 2.97Å; S862-C864 PolarHBondContact O-N 3.15Å; S862-C864 WeakPolarHBondContact OG-CB 3.32Å; S862-C864 PolarHBondContact OG-N 2.03Å; S862-D865 VanDerWaalsContact CB-OD2 3.22Å; S862-D865 WeakPolarHBondContact CB-OD2 3.31Å; S862-D865 WeakPolarHBondContact O-CA 3.38Å; S862-D865 WeakPolarHBondContact O-CB 3.29Å; S862-D865 PolarHBondContact O-N 3.19Å; S862-A866 PolarHBondContact O-N 3.3Å
863	A	75.3	Confident	75.4	Confident	17 Å²	17	54 Å²	54	14%	0.14	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-58.7	-34.4	170.9	0	0	0	0	0	111.7	D865 E901 N902 F904	A863-D865 PolarHBondContact O-N 3.08Å; A863-E901 HydrophobicContact CB-CB 3.86Å; A863-N902 WeakPolarHBondContact O-CA 3.24Å; A863-N902 VanDerWaalsContact O-CB 3.25Å; A863-N902 WeakPolarHBondContact O-CB 3.4Å; A863-F904 HydrophobicContact CB-CE1 4.29Å; A863-F904 HydrophobicContact CB-CZ 3.89Å
864	C	81.9	Confident	74.6	Confident	11 Å²	11	59.6 Å²	59.6	7%	0.074	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-69.1	-18.1	174.1	-43	0	0	0	0	112.9	S862 F882 K884 C914	S862-C864 PolarHBondContact O-N 3.15Å; S862-C864 WeakPolarHBondContact OG-CB 3.32Å; S862-C864 PolarHBondContact OG-N 2.03Å; C864-F882 HydrophobicContact CB-CB 4.46Å; C864-F882 HydrophobicContact CB-CD1 3.81Å; C864-F882 HydrophobicContact CB-CE1 4.38Å; C864-F882 HydrophobicContact CB-CG 4.3Å; C864-K884 WeakPolarHBondContact O-CE 3.49Å; C864-C914 HydrophobicContact CB-CB 3.78Å; C864-C914 WeakPolarHBondContact CB-SG 3.16Å; C864-C914 WeakPolarHBondContact SG-CA 3.17Å; C864-C914 WeakPolarHBondContact SG-CB 3.5Å; C864-C914 CovalentContact SG-SG 2.03Å; C864-C914 PolarHBondContact SG-SG 3.16Å
865	D	81.6	Confident	73.9	Confident	96 Å²	96	60.3 Å²	60.3	51%	0.513	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-89.8	-20.6	-178.2	-81.2	-48.3	0	0	0	114.3	S862 A863 K884	S862-D865 VanDerWaalsContact CB-OD2 3.22Å; S862-D865 WeakPolarHBondContact CB-OD2 3.31Å; S862-D865 WeakPolarHBondContact O-CA 3.38Å; S862-D865 WeakPolarHBondContact O-CB 3.29Å; S862-D865 PolarHBondContact O-N 3.19Å; A863-D865 PolarHBondContact O-N 3.08Å; D865-K884 VanDerWaalsContact CA-CE 3.46Å; D865-K884 VanDerWaalsContact CA-NZ 3.26Å; D865-K884 WeakPolarHBondContact O-CE 3.4Å; D865-K884 PolarHBondContact O-NZ 2.79Å; D865-K884 WeakPolarHBondContact OD1-CE 3.44Å; D865-K884 IonicContact OD1-NZ 2.67Å; D865-K884 PolarHBondContact OD1-NZ 3.46Å
866	A	78.1	Confident	73.6	Confident	13 Å²	13	66.2 Å²	66.2	11%	0.107	40%	0.404	C	S	.	.	S	Bend	trans	-74.5	150.1	-177.7	0	0	0	0	0	113	S862 E901 N902	S862-A866 PolarHBondContact O-N 3.3Å; A866-E901 HydrophobicContact CB-CB 4.38Å; A866-N902 HydrophobicContact CB-CB 4.17Å; A866-N902 WeakPolarHBondContact O-CB 3.25Å; A866-N902 PolarHBondContact O-ND2 2.66Å
867	T	81.9	Confident	74	Confident	120 Å²	120	65.1 Å²	65.1	74%	0.736	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-71.3	142.9	177.1	-47.3	0	0	0	0	111.2	S869 S900	T867-S869 PolarHBondContact O-N 2.76Å; T867-S900 WeakPolarHBondContact O-CB 3.4Å; T867-S900 PolarHBondContact O-OG 2.77Å
868	L	84.5	Confident	74.8	Confident	61 Å²	61	67.8 Å²	67.8	32%	0.319	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-54.1	129	169.6	171.7	62.9	0	0	0	110.7	Y881 F892	L868-Y881 HydrophobicContact CB-CD2 3.92Å; L868-Y881 HydrophobicContact CB-CE2 4.1Å; L868-Y881 HydrophobicContact CB-CG 4.29Å; L868-Y881 HydrophobicContact CD1-CD1 3.93Å; L868-Y881 HydrophobicContact CD1-CD2 4.36Å; L868-Y881 HydrophobicContact CD1-CE1 4.49Å; L868-Y881 HydrophobicContact CD1-CG 3.86Å; L868-Y881 HydrophobicContact CD2-CD1 4.09Å; L868-Y881 HydrophobicContact CD2-CD2 4.42Å; L868-Y881 HydrophobicContact CD2-CE1 3.8Å; L868-Y881 HydrophobicContact CD2-CE2 4.15Å; L868-Y881 HydrophobicContact CD2-CG 4.39Å; L868-Y881 HydrophobicContact CG-CD1 4.49Å; L868-Y881 HydrophobicContact CG-CD2 4.46Å; L868-Y881 HydrophobicContact CG-CG 4.4Å; L868-F892 HydrophobicContact CD1-CB 4.29Å; L868-F892 HydrophobicContact CD1-CD1 3.75Å; L868-F892 HydrophobicContact CD1-CD2 3.63Å; L868-F892 HydrophobicContact CD1-CE1 3.81Å; L868-F892 HydrophobicContact CD1-CE2 3.68Å; L868-F892 HydrophobicContact CD1-CG 3.64Å; L868-F892 HydrophobicContact CD1-CZ 3.76Å
869	S	85.1	Confident	76.3	Confident	44 Å²	44	65.2 Å²	65.2	31%	0.308	39%	0.391	S	S	.	.			trans	-135.9	120.7	176.2	179.2	0	0	0	0	111.5	T867 G871 G899	T867-S869 PolarHBondContact O-N 2.76Å; S869-G871 PolarHBondContact O-N 3.01Å; S869-G899 WeakPolarHBondContact OG-CA 3.34Å
870	L	82.3	Confident	78	Confident	99 Å²	99	60.9 Å²	60.9	52%	0.518	36%	0.357	S	S	.	.			trans	-69.9	-18.3	-179.1	-60.3	171.5	0	0	0	113.1	F892 V893 Y894 T895	L870-F892 HydrophobicContact CD2-CD2 4.01Å; L870-V893 WeakPolarHBondContact CD2-O 3.43Å; L870-Y894 WeakPolarHBondContact O-CD2 3.47Å; L870-Y894 WeakPolarHBondContact O-CE2 3.35Å; L870-T895 WeakPolarHBondContact O-CB 3.43Å; L870-T895 WeakPolarHBondContact O-CG2 3.35Å; L870-T895 PolarHBondContact O-N 3.48Å; L870-T895 PolarHBondContact O-OG1 2.84Å
871	G	81.8	Confident	79.8	Confident	25 Å²	25	59.6 Å²	59.6	26%	0.258	33%	0.33	S	S	.	.			trans	77.6	-173.9	-170.4	0	0	0	0	0	114	S869 T895 L897	S869-G871 PolarHBondContact O-N 3.01Å; G871-T895 WeakPolarHBondContact CA-OG1 3.08Å; G871-T895 PolarHBondContact O-OG1 2.79Å; G871-L897 CarbonylContact C-O 3.4Å; G871-L897 WeakPolarHBondContact CA-O 3.31Å
872	H	76.7	Confident	81	Confident	104 Å²	104	59.1 Å²	59.1	48%	0.481	33%	0.325	S	S	.	.	S	Bend	trans	-128.8	17.2	-175.8	59.1	-92.4	0	0	0	113.3	K810 T895 L897	K810-H872 PolarHBondContact O-CE1 3.08Å; K810-H872 PolarHBondContact O-NE2 3.5Å; H872-T895 PolarHBondContact N-OG1 3.07Å; H872-L897 PolarHBondContact N-O 2.97Å
873	G	72.7	Confident	81.8	Confident	21 Å²	21	58.4 Å²	58.4	22%	0.216	32%	0.317	C	S	.	.	S	Bend	trans	-82.7	-161.1	173.9	0	0	0	0	0	112.7	T895	G873-T895 CarbonylContact C-O 3.02Å; G873-T895 WeakPolarHBondContact CA-O 3.33Å; G873-T895 PolarHBondContact N-OG1 3.33Å; G873-T895 WeakPolarHBondContact O-CB 3.38Å
874	N	68.7	Low	82	Confident	118 Å²	118	62.7 Å²	62.7	63%	0.631	33%	0.333	S	S	*	.	S	Bend	trans	-133.6	11.4	179.3	70.9	-24	0	0	0	114.5	L285 T895	L285-N874 HydrophobicContact CD1-CB 3.88Å; L285-N874 WeakPolarHBondContact CD1-ND2 3.3Å; N874-T895 PolarHBondContact N-O 3.4Å
875	A	70.4	Confident	81.8	Confident	20 Å²	20	67.2 Å²	67.2	17%	0.165	36%	0.364	C	S	.	.			trans	-78.1	172.6	172	0	0	0	0	0	111.4	A846 L877 T895	A846-A875 HydrophobicContact CB-CB 3.52Å; A875-L877 HydrophobicContact CB-CD1 4.36Å; A875-L877 HydrophobicContact CB-CD2 4.44Å; A875-L877 HydrophobicContact CB-CG 4.07Å; A875-T895 WeakPolarHBondContact CB-O 3.26Å; A875-T895 PolarHBondContact N-O 2.84Å; A875-T895 WeakPolarHBondContact O-CA 3.45Å
876	Q	75.6	Confident	81.6	Confident	151 Å²	151	66.3 Å²	66.3	71%	0.706	36%	0.363	S	S	*	.			trans	-132.5	82.9	176.3	-66.1	-68.9	-80.9	0	0	108.5	V893	Q876-V893 HydrophobicContact CB-CG1 4.17Å
877	L	84.2	Confident	81.6	Confident	44 Å²	44	73.2 Å²	73.2	23%	0.23	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.2	-174.5	-53.2	171.9	0	0	0	109.6	A846 A875 Y894	A846-L877 HydrophobicContact CB-CD1 4.39Å; A875-L877 HydrophobicContact CB-CD1 4.36Å; A875-L877 HydrophobicContact CB-CD2 4.44Å; A875-L877 HydrophobicContact CB-CG 4.07Å; L877-Y894 HydrophobicContact CD1-CD1 4.11Å; L877-Y894 PolarHBondContact N-O 3.41Å; L877-Y894 PolarHBondContact O-N 2.77Å
878	Q	86.1	Confident	81.5	Confident	134 Å²	134	70.4 Å²	70.4	63%	0.626	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	132.4	174.1	-172.6	173.2	-10.1	0	0	110.4
879	R	92.2	Very high	81.6	Confident	11 Å²	11	68 Å²	68	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	171.6	-176.7	-65.1	-64.7	173.8	79.9	0.6	110.5	F844 P891 F892 Y894 N903 F904 L905	F844-R879 PolarHBondContact O-NH1 3.38Å; F844-R879 PolarHBondContact O-NH2 2.88Å; R879-P891 CarbonylContact O-C 3.48Å; R879-P891 VanDerWaalsContact O-CA 3.23Å; R879-P891 WeakPolarHBondContact O-CA 3.43Å; R879-F892 HydrophobicContact CB-CD1 3.9Å; R879-F892 HydrophobicContact CB-CE1 3.46Å; R879-F892 VanDerWaalsContact CB-CE1 3.46Å; R879-F892 HydrophobicContact CB-CE2 4.31Å; R879-F892 HydrophobicContact CB-CZ 3.7Å; R879-F892 HydrophobicContact CG-CZ 4.46Å; R879-F892 PolarHBondContact N-O 3.5Å; R879-F892 PolarHBondContact O-N 3.33Å; R879-Y894 HydrophobicContact CG-CD1 4.48Å; R879-Y894 HydrophobicContact CG-CG 4.36Å; R879-N903 WeakPolarHBondContact CB-OD1 3.42Å; R879-N903 VanDerWaalsContact CD-OD1 3.29Å; R879-N903 WeakPolarHBondContact CD-OD1 3.48Å; R879-N903 WeakPolarHBondContact CG-OD1 3.21Å; R879-N903 PolarHBondContact NH1-OD1 2.03Å; R879-F904 WeakPolarHBondContact CA-O 3.28Å; R879-L905 VanDerWaalsContact NE-CD1 3.33Å
880	Y	92.2	Very high	81.6	Confident	45 Å²	45	68.9 Å²	68.9	18%	0.176	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.8	178	-66.6	-99.1	0	0	0	110.9	L890 P891 F904 E907	Y880-L890 CarbonylContact C-O 3.48Å; Y880-L890 VanDerWaalsContact CA-O 3.28Å; Y880-L890 WeakPolarHBondContact CA-O 3.33Å; Y880-P891 HydrophobicContact CD1-CB 4.1Å; Y880-P891 HydrophobicContact CE1-CB 3.89Å; Y880-P891 HydrophobicContact CE1-CG 4.49Å; Y880-F904 PolarHBondContact N-O 2.85Å; Y880-F904 WeakPolarHBondContact O-CD2 3.25Å; Y880-F904 PolarHBondContact O-N 3.12Å; Y880-E907 HydrophobicContact CD1-CB 3.71Å; Y880-E907 HydrophobicContact CD1-CG 3.88Å; Y880-E907 HydrophobicContact CE1-CB 3.57Å; Y880-E907 HydrophobicContact CE1-CG 3.86Å; Y880-E907 HydrophobicContact CE2-CB 4.42Å; Y880-E907 HydrophobicContact CG-CB 4.18Å
881	Y	91.7	Very high	82	Confident	48 Å²	48	67.9 Å²	67.9	19%	0.188	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.5	175.4	81.8	-78.6	0	0	0	110.6	L868 D883 C889 L890 F892 N902	L868-Y881 HydrophobicContact CB-CD2 3.92Å; L868-Y881 HydrophobicContact CB-CE2 4.1Å; L868-Y881 HydrophobicContact CB-CG 4.29Å; L868-Y881 HydrophobicContact CD1-CD1 3.93Å; L868-Y881 HydrophobicContact CD1-CD2 4.36Å; L868-Y881 HydrophobicContact CD1-CE1 4.49Å; L868-Y881 HydrophobicContact CD1-CG 3.86Å; L868-Y881 HydrophobicContact CD2-CD1 4.09Å; L868-Y881 HydrophobicContact CD2-CD2 4.42Å; L868-Y881 HydrophobicContact CD2-CE1 3.8Å; L868-Y881 HydrophobicContact CD2-CE2 4.15Å; L868-Y881 HydrophobicContact CD2-CG 4.39Å; L868-Y881 HydrophobicContact CG-CD1 4.49Å; L868-Y881 HydrophobicContact CG-CD2 4.46Å; L868-Y881 HydrophobicContact CG-CG 4.4Å; Y881-D883 HydrophobicContact CE2-CB 3.92Å; Y881-C889 CarbonylContact O-C 3.46Å; Y881-C889 WeakPolarHBondContact O-CA 3.13Å; Y881-L890 HydrophobicContact CD1-CB 4.2Å; Y881-L890 VanDerWaalsContact CD1-O 3.24Å; Y881-L890 WeakPolarHBondContact CD1-O 3.29Å; Y881-L890 HydrophobicContact CE1-CB 3.68Å; Y881-L890 PolarHBondContact N-O 3.38Å; Y881-L890 PolarHBondContact O-N 2.85Å; Y881-F892 HydrophobicContact CD1-CB 4.37Å; Y881-F892 AromaticContact CD1-CD1 3.85Å; Y881-F892 HydrophobicContact CD1-CD1 3.85Å; Y881-F892 HydrophobicContact CD1-CG 4.42Å; Y881-F892 HydrophobicContact CG-CD1 4.4Å; Y881-N902 VanDerWaalsContact CA-OD1 3.32Å; Y881-N902 WeakPolarHBondContact CA-OD1 3.07Å; Y881-N902 VanDerWaalsContact CB-O 3.28Å; Y881-N902 WeakPolarHBondContact CB-O 3.32Å; Y881-N902 WeakPolarHBondContact CB-OD1 3.42Å
882	F	88.8	Confident	82.4	Confident	16 Å²	16	67.6 Å²	67.6	7%	0.07	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.2	173.6	-176.6	-106.1	0	0	0	110.3	C864 K884 R887 N902 C914 I915	C864-F882 HydrophobicContact CB-CB 4.46Å; C864-F882 HydrophobicContact CB-CD1 3.81Å; C864-F882 HydrophobicContact CB-CE1 4.38Å; C864-F882 HydrophobicContact CB-CG 4.3Å; F882-K884 HydrophobicContact CD1-CG 4.33Å; F882-K884 HydrophobicContact CE1-CG 4.22Å; F882-R887 HydrophobicContact CE2-CB 4.4Å; F882-R887 HydrophobicContact CZ-CB 4.12Å; F882-R887 HydrophobicContact CZ-CG 4.27Å; F882-N902 PolarHBondContact N-OD1 2.85Å; F882-N902 PolarHBondContact O-ND2 3.32Å; F882-C914 HydrophobicContact CB-CB 4.13Å; F882-C914 HydrophobicContact CD1-CB 4.14Å; F882-C914 HydrophobicContact CD2-CB 3.47Å; F882-C914 VanDerWaalsContact CD2-CB 3.47Å; F882-C914 HydrophobicContact CE1-CB 4.41Å; F882-C914 HydrophobicContact CE2-CB 3.8Å; F882-C914 HydrophobicContact CG-CB 3.64Å; F882-C914 HydrophobicContact CZ-CB 4.25Å; F882-I915 HydrophobicContact CE2-CD1 4.35Å; F882-I915 HydrophobicContact CE2-CG1 3.98Å
883	D	87	Confident	82.8	Confident	29 Å²	29	66 Å²	66	16%	0.155	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.1	170	166.8	26.1	0	0	0	109.8	Y881 S885 T886 R887 T888 L890	Y881-D883 HydrophobicContact CE2-CB 3.92Å; D883-S885 VanDerWaalsContact CG-OG 3.24Å; D883-S885 PolarHBondContact O-N 2.79Å; D883-S885 WeakPolarHBondContact OD1-CB 3.4Å; D883-S885 PolarHBondContact OD1-N 3.26Å; D883-S885 PolarHBondContact OD1-OG 3.28Å; D883-S885 PolarHBondContact OD2-OG 3.17Å; D883-T886 VanDerWaalsContact OD2-CB 3.32Å; D883-T886 WeakPolarHBondContact OD2-CB 3.46Å; D883-T886 WeakPolarHBondContact OD2-CG2 3.16Å; D883-T886 PolarHBondContact OD2-N 3.44Å; D883-T886 PolarHBondContact OD2-OG1 2.77Å; D883-R887 WeakPolarHBondContact O-CA 3.37Å; D883-R887 PolarHBondContact O-N 3.36Å; D883-T888 PolarHBondContact N-O 2.77Å; D883-T888 PolarHBondContact O-N 3.41Å; D883-L890 HydrophobicContact CB-CD1 4.12Å
884	K	78.7	Confident	83.5	Confident	106 Å²	106	65 Å²	65	46%	0.461	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.2	177.9	-55.2	-171.9	-159.4	-165.3	0	113.4	C864 D865 F882	C864-K884 WeakPolarHBondContact O-CE 3.49Å; D865-K884 VanDerWaalsContact CA-CE 3.46Å; D865-K884 VanDerWaalsContact CA-NZ 3.26Å; D865-K884 WeakPolarHBondContact O-CE 3.4Å; D865-K884 PolarHBondContact O-NZ 2.79Å; D865-K884 WeakPolarHBondContact OD1-CE 3.44Å; D865-K884 IonicContact OD1-NZ 2.67Å; D865-K884 PolarHBondContact OD1-NZ 3.46Å; F882-K884 HydrophobicContact CD1-CG 4.33Å; F882-K884 HydrophobicContact CE1-CG 4.22Å
885	S	76.9	Confident	84.2	Confident	106 Å²	106	60.5 Å²	60.5	74%	0.741	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-38.7	-173.1	73.8	0	0	0	0	111.8	D883	D883-S885 VanDerWaalsContact CG-OG 3.24Å; D883-S885 PolarHBondContact O-N 2.79Å; D883-S885 WeakPolarHBondContact OD1-CB 3.4Å; D883-S885 PolarHBondContact OD1-N 3.26Å; D883-S885 PolarHBondContact OD1-OG 3.28Å; D883-S885 PolarHBondContact OD2-OG 3.17Å
886	T	79.3	Confident	84.8	Confident	78 Å²	78	59.5 Å²	59.5	48%	0.479	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-16.6	171.4	59.3	0	0	0	0	113.7	D883 T888	D883-T886 VanDerWaalsContact OD2-CB 3.32Å; D883-T886 WeakPolarHBondContact OD2-CB 3.46Å; D883-T886 WeakPolarHBondContact OD2-CG2 3.16Å; D883-T886 PolarHBondContact OD2-N 3.44Å; D883-T886 PolarHBondContact OD2-OG1 2.77Å; T886-T888 VanDerWaalsContact C-N 3.26Å; T886-T888 PolarHBondContact O-N 3.03Å; T886-T888 PolarHBondContact OG1-N 2.82Å; T886-T888 PolarHBondContact OG1-OG1 3.01Å
887	R	76.4	Confident	85.1	Confident	158 Å²	158	54 Å²	54	60%	0.596	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	37.7	-165.9	-65.3	-169.9	62.2	-173.7	-2.9	113.3	F882 D883	F882-R887 HydrophobicContact CE2-CB 4.4Å; F882-R887 HydrophobicContact CZ-CB 4.12Å; F882-R887 HydrophobicContact CZ-CG 4.27Å; D883-R887 WeakPolarHBondContact O-CA 3.37Å; D883-R887 PolarHBondContact O-N 3.36Å
888	T	79.5	Confident	85	Confident	60 Å²	60	51.9 Å²	51.9	37%	0.368	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.1	179	66.2	0	0	0	0	112.4	D883 T886	D883-T888 PolarHBondContact N-O 2.77Å; D883-T888 PolarHBondContact O-N 3.41Å; T886-T888 VanDerWaalsContact C-N 3.26Å; T886-T888 PolarHBondContact O-N 3.03Å; T886-T888 PolarHBondContact OG1-N 2.82Å; T886-T888 PolarHBondContact OG1-OG1 3.01Å
889	C	88.4	Confident	84.9	Confident	12 Å²	12	45.8 Å²	45.8	8%	0.081	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.9	174.3	-70.2	0	0	0	0	110.4	Y881 E907 C910 N911	Y881-C889 CarbonylContact O-C 3.46Å; Y881-C889 WeakPolarHBondContact O-CA 3.13Å; C889-E907 HydrophobicContact CB-CG 4.28Å; C889-C910 HydrophobicContact CB-CB 3.73Å; C889-C910 WeakPolarHBondContact CB-SG 3.48Å; C889-C910 WeakPolarHBondContact SG-CB 3.12Å; C889-C910 CovalentContact SG-SG 2.03Å; C889-C910 PolarHBondContact SG-SG 3.29Å; C889-N911 PolarHBondContact SG-N 3.24Å; C889-N911 PolarHBondContact SG-OD1 3.48Å; C889-N911 VanDerWaalsContact SG-OD1 3.32Å
890	L	85	Confident	84.6	Confident	61 Å²	61	46 Å²	46	32%	0.319	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.3	-173.2	-63.9	176.3	0	0	0	111.8	Y880 Y881 D883	Y880-L890 CarbonylContact C-O 3.48Å; Y880-L890 VanDerWaalsContact CA-O 3.28Å; Y880-L890 WeakPolarHBondContact CA-O 3.33Å; Y881-L890 HydrophobicContact CD1-CB 4.2Å; Y881-L890 VanDerWaalsContact CD1-O 3.24Å; Y881-L890 WeakPolarHBondContact CD1-O 3.29Å; Y881-L890 HydrophobicContact CE1-CB 3.68Å; Y881-L890 PolarHBondContact N-O 3.38Å; Y881-L890 PolarHBondContact O-N 2.85Å; D883-L890 HydrophobicContact CB-CD1 4.12Å
891	P	90.6	Very high	84.2	Confident	78 Å²	78	44.2 Å²	44.2	51%	0.506	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	149.6	177.8	31.2	-34.7	0	0	0	113	R879 Y880	R879-P891 CarbonylContact O-C 3.48Å; R879-P891 VanDerWaalsContact O-CA 3.23Å; R879-P891 WeakPolarHBondContact O-CA 3.43Å; Y880-P891 HydrophobicContact CD1-CB 4.1Å; Y880-P891 HydrophobicContact CE1-CB 3.89Å; Y880-P891 HydrophobicContact CE1-CG 4.49Å
892	F	90	Very high	84.1	Confident	20 Å²	20	42.1 Å²	42.1	9%	0.088	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	170.7	172.6	78	-81.7	0	0	0	112	L868 L870 R879 Y881 Y894 N903	L868-F892 HydrophobicContact CD1-CB 4.29Å; L868-F892 HydrophobicContact CD1-CD1 3.75Å; L868-F892 HydrophobicContact CD1-CD2 3.63Å; L868-F892 HydrophobicContact CD1-CE1 3.81Å; L868-F892 HydrophobicContact CD1-CE2 3.68Å; L868-F892 HydrophobicContact CD1-CG 3.64Å; L868-F892 HydrophobicContact CD1-CZ 3.76Å; L870-F892 HydrophobicContact CD2-CD2 4.01Å; R879-F892 HydrophobicContact CB-CD1 3.9Å; R879-F892 HydrophobicContact CB-CE1 3.46Å; R879-F892 VanDerWaalsContact CB-CE1 3.46Å; R879-F892 HydrophobicContact CB-CE2 4.31Å; R879-F892 HydrophobicContact CB-CZ 3.7Å; R879-F892 HydrophobicContact CG-CZ 4.46Å; R879-F892 PolarHBondContact N-O 3.5Å; R879-F892 PolarHBondContact O-N 3.33Å; Y881-F892 HydrophobicContact CD1-CB 4.37Å; Y881-F892 AromaticContact CD1-CD1 3.85Å; Y881-F892 HydrophobicContact CD1-CD1 3.85Å; Y881-F892 HydrophobicContact CD1-CG 4.42Å; Y881-F892 HydrophobicContact CG-CD1 4.4Å; F892-Y894 HydrophobicContact CE2-CD2 4.14Å; F892-Y894 HydrophobicContact CE2-CG 4.32Å; F892-N903 HydrophobicContact CZ-CB 4.12Å
893	V	84.1	Confident	84.1	Confident	69 Å²	69	41.8 Å²	41.8	42%	0.418	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.4	176.4	-175.3	0	0	0	0	110.3	L870 Q876	L870-V893 WeakPolarHBondContact CD2-O 3.43Å; Q876-V893 HydrophobicContact CB-CG1 4.17Å
894	Y	88.4	Confident	84.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.6	-177.3	179.9	-118.9	0	0	0	112.1	H843 F844 L870 L877 R879 F892 G896 L897 G898 N903	H843-Y894 PolarHBondContact CD2-OH 2.97Å; H843-Y894 AromaticContact NE2-CE1 3.29Å; H843-Y894 VanDerWaalsContact NE2-CE1 3.29Å; H843-Y894 WeakPolarHBondContact NE2-CE1 3.44Å; H843-Y894 AromaticContact NE2-CZ 2.89Å; H843-Y894 CovalentContact NE2-OH 1.8Å; H843-Y894 PolarHBondContact NE2-OH 3.43Å; F844-Y894 WeakPolarHBondContact O-CE1 3.47Å; L870-Y894 WeakPolarHBondContact O-CD2 3.47Å; L870-Y894 WeakPolarHBondContact O-CE2 3.35Å; L877-Y894 HydrophobicContact CD1-CD1 4.11Å; L877-Y894 PolarHBondContact N-O 3.41Å; L877-Y894 PolarHBondContact O-N 2.77Å; R879-Y894 HydrophobicContact CG-CD1 4.48Å; R879-Y894 HydrophobicContact CG-CG 4.36Å; F892-Y894 HydrophobicContact CE2-CD2 4.14Å; F892-Y894 HydrophobicContact CE2-CG 4.32Å; Y894-G896 VanDerWaalsContact CE1-N 3.32Å; Y894-G896 PolarHBondContact O-N 3.18Å; Y894-L897 WeakPolarHBondContact OH-CA 3.19Å; Y894-L897 PolarHBondContact OH-N 3.48Å; Y894-L897 PolarHBondContact OH-O 3.45Å; Y894-G898 PolarHBondContact OH-N 2.77Å; Y894-G898 PolarHBondContact OH-O 3.34Å; Y894-N903 WeakPolarHBondContact CD2-ND2 3.43Å
895	T	83.6	Confident	84.3	Confident	24 Å²	24	39.4 Å²	39.4	15%	0.147	22%	0.221	C	C	.	.			trans	-85.2	-4.3	-172.3	63.4	0	0	0	0	115.4	L870 G871 H872 G873 N874 A875	L870-T895 WeakPolarHBondContact O-CB 3.43Å; L870-T895 WeakPolarHBondContact O-CG2 3.35Å; L870-T895 PolarHBondContact O-N 3.48Å; L870-T895 PolarHBondContact O-OG1 2.84Å; G871-T895 WeakPolarHBondContact CA-OG1 3.08Å; G871-T895 PolarHBondContact O-OG1 2.79Å; H872-T895 PolarHBondContact N-OG1 3.07Å; G873-T895 CarbonylContact C-O 3.02Å; G873-T895 WeakPolarHBondContact CA-O 3.33Å; G873-T895 PolarHBondContact N-OG1 3.33Å; G873-T895 WeakPolarHBondContact O-CB 3.38Å; N874-T895 PolarHBondContact N-O 3.4Å; A875-T895 WeakPolarHBondContact CB-O 3.26Å; A875-T895 PolarHBondContact N-O 2.84Å; A875-T895 WeakPolarHBondContact O-CA 3.45Å
896	G	82.4	Confident	84.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	87	0.3	170.5	0	0	0	0	0	117.2	H843 G845 A846 Y894	H843-G896 PolarHBondContact CE1-O 3.05Å; H843-G896 VanDerWaalsContact CE1-O 3.25Å; G845-G896 VanDerWaalsContact CA-O 3.23Å; G845-G896 WeakPolarHBondContact CA-O 3.44Å; A846-G896 PolarHBondContact N-O 2.86Å; Y894-G896 VanDerWaalsContact CE1-N 3.32Å; Y894-G896 PolarHBondContact O-N 3.18Å
897	L	82.6	Confident	84.9	Confident	34 Å²	34	38.3 Å²	38.3	18%	0.178	20%	0.203	C	C	.	.	S	Bend	trans	-141.2	141.6	170.2	-65.9	176.9	0	0	0	109.7	I811 H843 T850 G871 H872 Y894	I811-L897 HydrophobicContact CB-CD2 4.32Å; I811-L897 HydrophobicContact CG1-CD2 3.94Å; I811-L897 HydrophobicContact CG2-CD2 4.09Å; H843-L897 WeakPolarHBondContact NE2-CA 3.01Å; T850-L897 HydrophobicContact CG2-CD2 3.62Å; G871-L897 CarbonylContact C-O 3.4Å; G871-L897 WeakPolarHBondContact CA-O 3.31Å; H872-L897 PolarHBondContact N-O 2.97Å; Y894-L897 WeakPolarHBondContact OH-CA 3.19Å; Y894-L897 PolarHBondContact OH-N 3.48Å; Y894-L897 PolarHBondContact OH-O 3.45Å
898	G	82.2	Confident	85	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.01	21%	0.205	C	C	.	.	S	Bend	trans	80.2	-134.8	-176.1	0	0	0	0	0	112.8	I811 H843 Y894	I811-G898 PolarHBondContact O-N 3.46Å; H843-G898 PolarHBondContact CD2-O 2.85Å; H843-G898 PolarHBondContact NE2-N 3.42Å; H843-G898 PolarHBondContact NE2-O 3.34Å; Y894-G898 PolarHBondContact OH-N 2.77Å; Y894-G898 PolarHBondContact OH-O 3.34Å
899	G	83.6	Confident	84.8	Confident	6 Å²	6	36.7 Å²	36.7	6%	0.062	20%	0.202	C	C	.	.			trans	81.6	-176.1	-179	0	0	0	0	0	113.8	A813 S869	A813-G899 WeakPolarHBondContact CB-O 3.17Å; S869-G899 WeakPolarHBondContact OG-CA 3.34Å
900	S	85.6	Confident	84.6	Confident	14 Å²	14	36.1 Å²	36.1	10%	0.098	20%	0.198	C	C	.	.			trans	-129.8	171.5	-179.7	59.7	0	0	0	0	110.7	W841 T867 N902 N903	W841-S900 VanDerWaalsContact CH2-C 3.49Å; W841-S900 WeakPolarHBondContact CH2-O 3.37Å; W841-S900 VanDerWaalsContact CZ2-C 3.48Å; T867-S900 WeakPolarHBondContact O-CB 3.4Å; T867-S900 PolarHBondContact O-OG 2.77Å; S900-N902 PolarHBondContact O-N 2.79Å; S900-N902 VanDerWaalsContact O-N 3.12Å; S900-N903 VanDerWaalsContact O-CB 3.24Å; S900-N903 WeakPolarHBondContact O-CB 3.38Å
901	E	83.8	Confident	84.4	Confident	9 Å²	9	35.5 Å²	35.5	4%	0.042	20%	0.195	C	C	.	.	S	Bend	trans	-57.6	-22.7	176.4	-65.2	-170.7	-115.3	0	0	113.8	W841 K856 S861 A863 A866 N903	W841-E901 HydrophobicContact CB-CG 4.22Å; W841-E901 HydrophobicContact CD2-CB 4.41Å; W841-E901 HydrophobicContact CD2-CG 3.82Å; W841-E901 HydrophobicContact CG-CG 3.62Å; K856-E901 WeakPolarHBondContact CA-OE1 3.46Å; K856-E901 VanDerWaalsContact CB-OE1 3.3Å; K856-E901 WeakPolarHBondContact CB-OE1 3.49Å; K856-E901 WeakPolarHBondContact CE-OE2 3.4Å; K856-E901 WeakPolarHBondContact CG-OE1 3.38Å; K856-E901 IonicContact NZ-OE2 3.04Å; K856-E901 PolarHBondContact NZ-OE2 3.45Å; S861-E901 PolarHBondContact OG-OE1 2.92Å; A863-E901 HydrophobicContact CB-CB 3.86Å; A866-E901 HydrophobicContact CB-CB 4.38Å; E901-N903 PolarHBondContact O-N 3.05Å
902	N	89.2	Confident	83.3	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.195	C	C	.	.			trans	-79.8	57.3	178.5	-157.2	-4.3	0	0	0	111.2	A863 A866 Y881 F882 S900 F904	A863-N902 WeakPolarHBondContact O-CA 3.24Å; A863-N902 VanDerWaalsContact O-CB 3.25Å; A863-N902 WeakPolarHBondContact O-CB 3.4Å; A866-N902 HydrophobicContact CB-CB 4.17Å; A866-N902 WeakPolarHBondContact O-CB 3.25Å; A866-N902 PolarHBondContact O-ND2 2.66Å; Y881-N902 VanDerWaalsContact CA-OD1 3.32Å; Y881-N902 WeakPolarHBondContact CA-OD1 3.07Å; Y881-N902 VanDerWaalsContact CB-O 3.28Å; Y881-N902 WeakPolarHBondContact CB-O 3.32Å; Y881-N902 WeakPolarHBondContact CB-OD1 3.42Å; F882-N902 PolarHBondContact N-OD1 2.85Å; F882-N902 PolarHBondContact O-ND2 3.32Å; S900-N902 PolarHBondContact O-N 2.79Å; S900-N902 VanDerWaalsContact O-N 3.12Å; N902-F904 WeakPolarHBondContact OD1-CE2 3.36Å
903	N	89.3	Confident	82.4	Confident	9 Å²	9	39.1 Å²	39.1	5%	0.048	21%	0.21	C	C	.	.			trans	-147.2	79.8	-171.1	-176.2	-16.7	0	0	0	109.9	R879 F892 Y894 S900 E901	R879-N903 WeakPolarHBondContact CB-OD1 3.42Å; R879-N903 VanDerWaalsContact CD-OD1 3.29Å; R879-N903 WeakPolarHBondContact CD-OD1 3.48Å; R879-N903 WeakPolarHBondContact CG-OD1 3.21Å; R879-N903 PolarHBondContact NH1-OD1 2.03Å; F892-N903 HydrophobicContact CZ-CB 4.12Å; Y894-N903 WeakPolarHBondContact CD2-ND2 3.43Å; S900-N903 VanDerWaalsContact O-CB 3.24Å; S900-N903 WeakPolarHBondContact O-CB 3.38Å; E901-N903 PolarHBondContact O-N 3.05Å
904	F	87.4	Confident	82.1	Confident	18 Å²	18	36.7 Å²	36.7	8%	0.079	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-90.6	143	-177.8	-55.3	-83.1	0	0	0	111.2	A863 R879 Y880 N902 C910 I913	A863-F904 HydrophobicContact CB-CE1 4.29Å; A863-F904 HydrophobicContact CB-CZ 3.89Å; R879-F904 WeakPolarHBondContact CA-O 3.28Å; Y880-F904 PolarHBondContact N-O 2.85Å; Y880-F904 WeakPolarHBondContact O-CD2 3.25Å; Y880-F904 PolarHBondContact O-N 3.12Å; N902-F904 WeakPolarHBondContact OD1-CE2 3.36Å; F904-C910 HydrophobicContact CB-CB 3.95Å; F904-C910 HydrophobicContact CD1-CB 4.33Å; F904-C910 HydrophobicContact CD2-CB 3.52Å; F904-C910 HydrophobicContact CE2-CB 4.08Å; F904-C910 HydrophobicContact CG-CB 3.67Å; F904-I913 HydrophobicContact CD1-CD1 4.34Å; F904-I913 HydrophobicContact CE1-CD1 3.87Å
905	L	83.1	Confident	81.3	Confident	67 Å²	67	40.1 Å²	40.1	35%	0.351	21%	0.214	S	C	.	.	S	Bend	trans	-74.2	-28.4	179.8	-162.6	65.5	0	0	0	112.6	E830 R879	E830-L905 HydrophobicContact CG-CD2 4.37Å; E830-L905 WeakPolarHBondContact OE1-CD2 3.2Å; R879-L905 VanDerWaalsContact NE-CD1 3.33Å
906	T	85.9	Confident	79.8	Confident	65 Å²	65	42.2 Å²	42.2	40%	0.399	24%	0.24	S	C	.	.	S	Bend	trans	-136.1	153.2	178.2	68.3	0	0	0	0	111.7	K908 A909 C910	T906-K908 VanDerWaalsContact C-N 3.29Å; T906-K908 PolarHBondContact O-N 3.04Å; T906-A909 PolarHBondContact O-N 3.18Å; T906-A909 PolarHBondContact OG1-N 2.95Å; T906-C910 PolarHBondContact O-N 2.78Å
907	E	82.8	Confident	78	Confident	95 Å²	95	45.3 Å²	45.3	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-58.5	-40.2	176.1	-162.7	-172.6	135.1	0	0	112.3	Y880 C889 A909 C910 N911	Y880-E907 HydrophobicContact CD1-CB 3.71Å; Y880-E907 HydrophobicContact CD1-CG 3.88Å; Y880-E907 HydrophobicContact CE1-CB 3.57Å; Y880-E907 HydrophobicContact CE1-CG 3.86Å; Y880-E907 HydrophobicContact CE2-CB 4.42Å; Y880-E907 HydrophobicContact CG-CB 4.18Å; C889-E907 HydrophobicContact CB-CG 4.28Å; E907-A909 PolarHBondContact O-N 3.2Å; E907-C910 WeakPolarHBondContact O-CB 3.39Å; E907-C910 PolarHBondContact O-N 3.32Å; E907-N911 PolarHBondContact O-N 3.15Å; E907-N911 PolarHBondContact O-ND2 3.14Å
908	K	78	Confident	76.1	Confident	148 Å²	148	52.1 Å²	52.1	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-61.3	-46.2	-179.1	-171	-172.6	173.7	-164.1	0	111.9	T906 C910 N911 D912	T906-K908 VanDerWaalsContact C-N 3.29Å; T906-K908 PolarHBondContact O-N 3.04Å; K908-C910 VanDerWaalsContact C-N 3.27Å; K908-C910 PolarHBondContact O-N 3.33Å; K908-N911 PolarHBondContact O-N 2.83Å; K908-N911 VanDerWaalsContact O-N 3.13Å; K908-D912 VanDerWaalsContact CE-OD2 3.3Å; K908-D912 WeakPolarHBondContact CE-OD2 3.12Å; K908-D912 PolarHBondContact O-N 2.7Å
909	A	75.7	Confident	74.8	Confident	36 Å²	36	56.3 Å²	56.3	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-37.6	178.3	0	0	0	0	0	112.2	T906 E907 I913	T906-A909 PolarHBondContact O-N 3.18Å; T906-A909 PolarHBondContact OG1-N 2.95Å; E907-A909 PolarHBondContact O-N 3.2Å; A909-I913 WeakPolarHBondContact O-CB 3.49Å; A909-I913 WeakPolarHBondContact O-CD1 3.32Å; A909-I913 VanDerWaalsContact O-CG1 3.29Å; A909-I913 WeakPolarHBondContact O-CG1 3.4Å; A909-I913 PolarHBondContact O-N 3.34Å
910	C	83.7	Confident	73.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-45.5	173.7	177.9	0	0	0	0	111.8	C889 F904 T906 E907 K908 C914	C889-C910 HydrophobicContact CB-CB 3.73Å; C889-C910 WeakPolarHBondContact CB-SG 3.48Å; C889-C910 WeakPolarHBondContact SG-CB 3.12Å; C889-C910 CovalentContact SG-SG 2.03Å; C889-C910 PolarHBondContact SG-SG 3.29Å; F904-C910 HydrophobicContact CB-CB 3.95Å; F904-C910 HydrophobicContact CD1-CB 4.33Å; F904-C910 HydrophobicContact CD2-CB 3.52Å; F904-C910 HydrophobicContact CE2-CB 4.08Å; F904-C910 HydrophobicContact CG-CB 3.67Å; T906-C910 PolarHBondContact O-N 2.78Å; E907-C910 WeakPolarHBondContact O-CB 3.39Å; E907-C910 PolarHBondContact O-N 3.32Å; K908-C910 VanDerWaalsContact C-N 3.27Å; K908-C910 PolarHBondContact O-N 3.33Å; C910-C914 VanDerWaalsContact O-CB 3.25Å; C910-C914 WeakPolarHBondContact O-CB 3.12Å; C910-C914 PolarHBondContact O-N 3.1Å; C910-C914 PolarHBondContact O-SG 2.73Å
911	N	81	Confident	73.2	Confident	49 Å²	49	64.1 Å²	64.1	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-46.9	179.6	-71.9	-37.2	0	0	0	112.5	C889 E907 K908 I913 C914 I915	C889-N911 PolarHBondContact SG-N 3.24Å; C889-N911 PolarHBondContact SG-OD1 3.48Å; C889-N911 VanDerWaalsContact SG-OD1 3.32Å; E907-N911 PolarHBondContact O-N 3.15Å; E907-N911 PolarHBondContact O-ND2 3.14Å; K908-N911 PolarHBondContact O-N 2.83Å; K908-N911 VanDerWaalsContact O-N 3.13Å; N911-I913 VanDerWaalsContact C-N 3.32Å; N911-I913 PolarHBondContact O-N 3.03Å; N911-C914 PolarHBondContact O-N 2.92Å; N911-I915 HydrophobicContact CB-CD1 4.39Å; N911-I915 VanDerWaalsContact O-CB 3.31Å; N911-I915 WeakPolarHBondContact O-CB 3.38Å; N911-I915 PolarHBondContact O-N 3.39Å; N911-I915 VanDerWaalsContact OD1-CD1 3.27Å; N911-I915 WeakPolarHBondContact OD1-CD1 3.42Å
912	D	66.7	Low	72.9	Confident	93 Å²	93	63.7 Å²	63.7	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-38.7	-177.4	-70.3	-24.1	0	0	0	111.5	K908	K908-D912 VanDerWaalsContact CE-OD2 3.3Å; K908-D912 WeakPolarHBondContact CE-OD2 3.12Å; K908-D912 PolarHBondContact O-N 2.7Å
913	I	70.6	Confident	72.4	Confident	80 Å²	80	63.7 Å²	63.7	41%	0.41	37%	0.365	S	S	.	.	H	α-helix	trans	-78.8	-40.2	-180	-64.2	169.8	0	0	0	112.3	F904 A909 N911	F904-I913 HydrophobicContact CD1-CD1 4.34Å; F904-I913 HydrophobicContact CE1-CD1 3.87Å; A909-I913 WeakPolarHBondContact O-CB 3.49Å; A909-I913 WeakPolarHBondContact O-CD1 3.32Å; A909-I913 VanDerWaalsContact O-CG1 3.29Å; A909-I913 WeakPolarHBondContact O-CG1 3.4Å; A909-I913 PolarHBondContact O-N 3.34Å; N911-I913 VanDerWaalsContact C-N 3.32Å; N911-I913 PolarHBondContact O-N 3.03Å
914	C	78.6	Confident	71.6	Confident	19 Å²	19	65.8 Å²	65.8	13%	0.128	38%	0.383	C	S	.	.	H	α-helix	trans	-100.3	-13.3	-168.7	-58.1	0	0	0	0	115.6	C864 F882 C910 N911	C864-C914 HydrophobicContact CB-CB 3.78Å; C864-C914 WeakPolarHBondContact CB-SG 3.16Å; C864-C914 WeakPolarHBondContact SG-CA 3.17Å; C864-C914 WeakPolarHBondContact SG-CB 3.5Å; C864-C914 CovalentContact SG-SG 2.03Å; C864-C914 PolarHBondContact SG-SG 3.16Å; F882-C914 HydrophobicContact CB-CB 4.13Å; F882-C914 HydrophobicContact CD1-CB 4.14Å; F882-C914 HydrophobicContact CD2-CB 3.47Å; F882-C914 VanDerWaalsContact CD2-CB 3.47Å; F882-C914 HydrophobicContact CE1-CB 4.41Å; F882-C914 HydrophobicContact CE2-CB 3.8Å; F882-C914 HydrophobicContact CG-CB 3.64Å; F882-C914 HydrophobicContact CZ-CB 4.25Å; C910-C914 VanDerWaalsContact O-CB 3.25Å; C910-C914 WeakPolarHBondContact O-CB 3.12Å; C910-C914 PolarHBondContact O-N 3.1Å; C910-C914 PolarHBondContact O-SG 2.73Å; N911-C914 PolarHBondContact O-N 2.92Å
915	I	71.8	Confident	70.6	Confident	72 Å²	72	71 Å²	71	37%	0.369	41%	0.408	S	S	.	.	H	α-helix	trans	-118.7	-20.6	-173	-50.9	-175.1	0	0	0	112.7	F882 N911 G917	F882-I915 HydrophobicContact CE2-CD1 4.35Å; F882-I915 HydrophobicContact CE2-CG1 3.98Å; N911-I915 HydrophobicContact CB-CD1 4.39Å; N911-I915 VanDerWaalsContact O-CB 3.31Å; N911-I915 WeakPolarHBondContact O-CB 3.38Å; N911-I915 PolarHBondContact O-N 3.39Å; N911-I915 VanDerWaalsContact OD1-CD1 3.27Å; N911-I915 WeakPolarHBondContact OD1-CD1 3.42Å; I915-G917 PolarHBondContact O-N 3.32Å
916	G	52.2	Low	69.9	Low	68 Å²	68	69.8 Å²	69.8	70%	0.701	41%	0.412	S	S	*	.			trans	-65.7	118.4	-179.2	0	0	0	0	0	114.6
917	G	44.1	Very low	69.5	Low	65 Å²	65	74.2 Å²	74.2	67%	0.67	43%	0.426	S	S	*	.			trans	-114.5	159.8	-171.4	0	0	0	0	0	117.4	I915	I915-G917 PolarHBondContact O-N 3.32Å
918	I	43.8	Very low	69.3	Low	177 Å²	177	70.3 Å²	70.3	91%	0.908	41%	0.409	S	S	*	.			trans	62.9	74.1	159.2	-36.9	178.2	0	0	0	117
919	V	53.1	Low	68.8	Low	88 Å²	88	63.7 Å²	63.7	53%	0.533	38%	0.382	S	S	.	.			trans	-137	128.9	156.4	-175.1	0	0	0	0	108.7	R936	V919-R936 PolarHBondContact O-NH2 2.86Å
920	E	61.7	Low	68.3	Low	132 Å²	132	65.9 Å²	65.9	62%	0.617	39%	0.392	S	S	*	.			trans	-54.6	151	178.3	-73.6	-172.4	161	0	0	112.2	P922 R936	E920-P922 VanDerWaalsContact O-CD 3.29Å; E920-P922 WeakPolarHBondContact O-CD 3.35Å; E920-R936 PolarHBondContact O-NH1 2.95Å; E920-R936 PolarHBondContact O-NH2 2.93Å
921	N	75.3	Confident	66.9	Low	53 Å²	53	69 Å²	69	28%	0.283	41%	0.408	S	S	.	.			trans	-88.6	111	174.1	-178	6.1	0	0	0	109.4	C923 G926 P928	N921-C923 VanDerWaalsContact C-N 3.32Å; N921-C923 WeakPolarHBondContact OD1-CB 3.39Å; N921-C923 PolarHBondContact OD1-N 2.78Å; N921-G926 PolarHBondContact ND2-O 2.86Å; N921-P928 WeakPolarHBondContact OD1-CD 3.01Å
922	P	76.3	Confident	65.3	Low	0 Å²	0	71 Å²	71	0%	0	42%	0.418	C	S	.	.			trans	-80.5	-11.4	-179.9	34.5	-37.6	0	0	0	113.4	E920 P928 H953 T960 V962 I1020 K1021	E920-P922 VanDerWaalsContact O-CD 3.29Å; E920-P922 WeakPolarHBondContact O-CD 3.35Å; P922-P928 HydrophobicContact CG-CG 4.37Å; P922-H953 PolarHBondContact O-NE2 2.91Å; P922-T960 HydrophobicContact CB-CG2 4.33Å; P922-V962 HydrophobicContact CG-CG2 3.33Å; P922-I1020 HydrophobicContact CB-CB 4.26Å; P922-I1020 HydrophobicContact CB-CG2 3.75Å; P922-K1021 WeakPolarHBondContact O-CA 3.46Å; P922-K1021 PolarHBondContact O-N 2.8Å
923	C	80	Confident	64.2	Low	3 Å²	3	68.9 Å²	68.9	2%	0.02	42%	0.418	C	S	.	.			trans	-75.5	140.7	-178	-55	0	0	0	0	111.7	N921 C964	N921-C923 VanDerWaalsContact C-N 3.32Å; N921-C923 WeakPolarHBondContact OD1-CB 3.39Å; N921-C923 PolarHBondContact OD1-N 2.78Å; C923-C964 WeakPolarHBondContact CA-SG 3.18Å; C923-C964 HydrophobicContact CB-CB 3.75Å; C923-C964 WeakPolarHBondContact CB-SG 3.4Å; C923-C964 WeakPolarHBondContact SG-CA 3.06Å; C923-C964 WeakPolarHBondContact SG-CB 3.29Å; C923-C964 CovalentContact SG-SG 2.04Å; C923-C964 PolarHBondContact SG-SG 2.88Å
924	A	72.9	Confident	63.2	Low	53 Å²	53	66.7 Å²	66.7	44%	0.438	42%	0.416	S	S	.	.	S	Bend	trans	-68.5	-40.5	174.6	0	0	0	0	0	112.1	K1021	A924-K1021 HydrophobicContact CB-CB 3.86Å; A924-K1021 HydrophobicContact CB-CG 4.37Å
925	E	64.6	Low	62.2	Low	127 Å²	127	72.5 Å²	72.5	59%	0.593	44%	0.441	S	S	*	.	S	Bend	trans	-127.7	136.6	-179.7	-76	-78.2	150.6	0	0	108.5	P965	E925-P965 WeakPolarHBondContact O-CD 3.39Å; E925-P965 WeakPolarHBondContact O-CG 3.48Å
926	G	68.4	Low	61.9	Low	43 Å²	43	72.2 Å²	72.2	44%	0.443	44%	0.435	S	S	.	.	S	Bend	trans	63.7	-164.4	178.6	0	0	0	0	0	115.4	N921	N921-G926 PolarHBondContact ND2-O 2.86Å
927	F	77.6	Confident	62.9	Low	157 Å²	157	70.7 Å²	70.7	69%	0.689	41%	0.411	S	S	*	.			trans	-109.5	155.6	-179.1	-67.4	-82.8	0	0	0	111.7	P965	F927-P965 WeakPolarHBondContact O-CD 3.01Å
928	P	78.7	Confident	64.6	Low	14 Å²	14	71.4 Å²	71.4	9%	0.091	40%	0.402	C	S	.	.			trans	-63.7	148.5	176.2	-17.4	31.2	0	0	0	111.4	N921 P922 R936 V962 C963	N921-P928 WeakPolarHBondContact OD1-CD 3.01Å; P922-P928 HydrophobicContact CG-CG 4.37Å; P928-R936 HydrophobicContact CB-CG 3.72Å; P928-R936 HydrophobicContact CG-CG 4.3Å; P928-V962 HydrophobicContact CB-CB 4.22Å; P928-V962 HydrophobicContact CB-CG2 3.79Å; P928-V962 HydrophobicContact CG-CG2 3.99Å; P928-C963 CarbonylContact C-O 3.55Å; P928-C963 WeakPolarHBondContact CA-O 3.44Å
929	A	69.1	Low	66	Low	8 Å²	8	63.5 Å²	63.5	7%	0.066	36%	0.362	C	S	.	.			trans	-60.8	148.1	173.9	0	0	0	0	0	111.3	M937 P947 Y950 C963	A929-M937 HydrophobicContact CB-CB 4.3Å; A929-M937 HydrophobicContact CB-CG 4.24Å; A929-M937 HydrophobicContact CB-SD 3.81Å; A929-M937 PolarHBondContact O-N 2.8Å; A929-P947 HydrophobicContact CB-CG 4.08Å; A929-Y950 HydrophobicContact CB-CD1 3.8Å; A929-Y950 HydrophobicContact CB-CE1 3.77Å; A929-Y950 HydrophobicContact CB-CG 4.31Å; A929-C963 HydrophobicContact CB-CB 3.93Å; A929-C963 PolarHBondContact N-O 3.2Å
930	T	64.8	Low	66.7	Low	83 Å²	83	62.6 Å²	62.6	51%	0.509	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-117.1	148.1	173.1	55	0	0	0	0	110.3	G934 Q935	T930-G934 WeakPolarHBondContact CG2-O 3.49Å; T930-Q935 CarbonylContact C-O 3.35Å; T930-Q935 VanDerWaalsContact CA-O 3.22Å; T930-Q935 WeakPolarHBondContact CA-O 3.03Å
931	D	53.8	Low	66.4	Low	65 Å²	65	58.9 Å²	58.9	35%	0.348	34%	0.344	S	S	.	.			trans	-76.9	-174.7	171.5	67.8	24.1	0	0	0	112.1	G933 G934 Q935 M937	D931-G933 PolarHBondContact O-N 2.89Å; D931-G933 WeakPolarHBondContact OD1-CA 3.5Å; D931-G933 PolarHBondContact OD1-N 2.78Å; D931-G934 PolarHBondContact O-N 3.44Å; D931-G934 PolarHBondContact OD1-N 3.45Å; D931-Q935 PolarHBondContact N-O 2.03Å; D931-Q935 PolarHBondContact OD1-N 2.94Å; D931-M937 HydrophobicContact CB-CG 4.18Å
932	I	46.6	Very low	65.4	Low	90 Å²	90	63.5 Å²	63.5	46%	0.462	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31	-179.5	-35.1	174.8	0	0	0	112.2	G934	I932-G934 VanDerWaalsContact C-N 3.27Å; I932-G934 PolarHBondContact O-N 2.71Å
933	G	44.3	Very low	64.3	Low	49 Å²	49	73 Å²	73	51%	0.505	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.6	179.9	0	0	0	0	0	113.9	D931 Q935	D931-G933 PolarHBondContact O-N 2.89Å; D931-G933 WeakPolarHBondContact OD1-CA 3.5Å; D931-G933 PolarHBondContact OD1-N 2.78Å; G933-Q935 PolarHBondContact O-N 2.83Å
934	G	49.3	Very low	63.3	Low	35 Å²	35	75.5 Å²	75.5	36%	0.361	42%	0.421	S	S	.	.	S	Bend	trans	75.3	5	-170.8	0	0	0	0	0	113.6	T930 D931 I932	T930-G934 WeakPolarHBondContact CG2-O 3.49Å; D931-G934 PolarHBondContact O-N 3.44Å; D931-G934 PolarHBondContact OD1-N 3.45Å; I932-G934 VanDerWaalsContact C-N 3.27Å; I932-G934 PolarHBondContact O-N 2.71Å
935	Q	57.5	Low	63.2	Low	141 Å²	141	77 Å²	77	66%	0.659	42%	0.422	S	S	*	.			trans	-80	138.9	179.5	-176.4	171.3	-4.2	0	0	110.2	T930 D931 G933 M937	T930-Q935 CarbonylContact C-O 3.35Å; T930-Q935 VanDerWaalsContact CA-O 3.22Å; T930-Q935 WeakPolarHBondContact CA-O 3.03Å; D931-Q935 PolarHBondContact N-O 2.03Å; D931-Q935 PolarHBondContact OD1-N 2.94Å; G933-Q935 PolarHBondContact O-N 2.83Å; Q935-M937 PolarHBondContact O-N 3.44Å
936	R	66.5	Low	63.5	Low	65 Å²	65	72.3 Å²	72.3	25%	0.245	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-61.1	123.8	-176.8	-163.1	-172.1	-77.6	-170.8	-11.6	111.2	V919 E920 P928 T938 K959 V962	V919-R936 PolarHBondContact O-NH2 2.86Å; E920-R936 PolarHBondContact O-NH1 2.95Å; E920-R936 PolarHBondContact O-NH2 2.93Å; P928-R936 HydrophobicContact CB-CG 3.72Å; P928-R936 HydrophobicContact CG-CG 4.3Å; R936-T938 PolarHBondContact O-N 3.35Å; R936-K959 PolarHBondContact NH1-O 3.03Å; R936-V962 HydrophobicContact CG-CB 4.43Å; R936-V962 HydrophobicContact CG-CG1 4.13Å
937	M	72.6	Confident	63.5	Low	37 Å²	37	71.4 Å²	71.4	18%	0.182	39%	0.389	C	S	.	.			trans	-70.3	112.4	178.9	-64.6	-174.4	78.4	0	0	111.3	A929 D931 Q935 P947 V962 C963	A929-M937 HydrophobicContact CB-CB 4.3Å; A929-M937 HydrophobicContact CB-CG 4.24Å; A929-M937 HydrophobicContact CB-SD 3.81Å; A929-M937 PolarHBondContact O-N 2.8Å; D931-M937 HydrophobicContact CB-CG 4.18Å; Q935-M937 PolarHBondContact O-N 3.44Å; M937-P947 HydrophobicContact SD-CG 4.22Å; M937-V962 VanDerWaalsContact O-CA 3.32Å; M937-V962 WeakPolarHBondContact O-CA 3.07Å; M937-V962 WeakPolarHBondContact O-CB 3.38Å; M937-C963 HydrophobicContact CB-CB 4.41Å; M937-C963 PolarHBondContact O-N 3.26Å; M937-C963 VanDerWaalsContact O-N 3.11Å
938	T	79.2	Confident	62.7	Low	80 Å²	80	69.7 Å²	69.7	49%	0.491	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-86.3	156.3	169.2	56	0	0	0	0	111.2	R936 N945 T961 V962	R936-T938 PolarHBondContact O-N 3.35Å; T938-N945 PolarHBondContact O-ND2 3.17Å; T938-N945 VanDerWaalsContact O-ND2 3.08Å; T938-T961 WeakPolarHBondContact CA-O 3.24Å; T938-V962 HydrophobicContact CG2-CG1 4.3Å
939	C	73.6	Confident	62	Low	10 Å²	10	73.2 Å²	73.2	7%	0.068	42%	0.424	C	S	.	.			trans	-140.9	160.3	-176.1	58.3	0	0	0	0	113.8	N945 C952 T961 V962	C939-N945 WeakPolarHBondContact CA-OD1 3.35Å; C939-N945 VanDerWaalsContact CB-OD1 3.28Å; C939-N945 WeakPolarHBondContact CB-OD1 3.34Å; C939-C952 HydrophobicContact CB-CB 3.83Å; C939-C952 WeakPolarHBondContact CB-SG 3.36Å; C939-C952 WeakPolarHBondContact SG-CA 3.42Å; C939-C952 WeakPolarHBondContact SG-CB 3.46Å; C939-C952 CovalentContact SG-SG 2.03Å; C939-C952 PolarHBondContact SG-SG 3.04Å; C939-T961 PolarHBondContact N-O 2.62Å; C939-T961 VanDerWaalsContact O-CG2 3.27Å; C939-T961 WeakPolarHBondContact O-CG2 3.3Å; C939-V962 VanDerWaalsContact SG-C 3.55Å
940	T	67.6	Low	62.2	Low	69 Å²	69	76.5 Å²	76.5	42%	0.423	44%	0.435	S	S	.	.			trans	-112.4	149.3	-172.5	74.5	0	0	0	0	113.7	D942 R943	T940-D942 VanDerWaalsContact C-N 3.29Å; T940-D942 PolarHBondContact O-N 2.89Å; T940-R943 CarbonylContact O-C 3.52Å; T940-R943 PolarHBondContact OG1-N 3.21Å; T940-R943 VanDerWaalsContact OG1-N 3.14Å; T940-R943 PolarHBondContact OG1-O 3.39Å
941	P	56.6	Low	62.5	Low	55 Å²	55	74.1 Å²	74.1	36%	0.357	42%	0.416	S	S	.	.	S	Bend	trans	-62.2	-31.3	176.2	-24.1	34.6	0	0	0	114.5	F954 R1032	P941-F954 HydrophobicContact CB-CE1 4.06Å; P941-F954 HydrophobicContact CG-CD1 4.31Å; P941-F954 HydrophobicContact CG-CE1 3.92Å; P941-R1032 VanDerWaalsContact O-CZ 3.28Å; P941-R1032 PolarHBondContact O-NH1 3.35Å; P941-R1032 PolarHBondContact O-NH2 2.9Å
942	D	53	Low	63.5	Low	150 Å²	150	71.4 Å²	71.4	80%	0.802	40%	0.402	S	S	*	.	S	Bend	trans	-92.1	-21	-174	-60.6	-37.3	0	0	0	112.8	T940	T940-D942 VanDerWaalsContact C-N 3.29Å; T940-D942 PolarHBondContact O-N 2.89Å
943	R	53.3	Low	65.2	Low	200 Å²	200	67.1 Å²	67.1	76%	0.755	38%	0.381	S	S	*	.	S	Bend	trans	-148.4	98	177.1	-163.1	173	-174.5	177.6	0.3	111.1	T940 N945	T940-R943 CarbonylContact O-C 3.52Å; T940-R943 PolarHBondContact OG1-N 3.21Å; T940-R943 VanDerWaalsContact OG1-N 3.14Å; T940-R943 PolarHBondContact OG1-O 3.39Å; R943-N945 PolarHBondContact O-N 3.45Å; R943-N945 VanDerWaalsContact O-N 3.11Å
944	P	59.2	Low	66.8	Low	54 Å²	54	66.6 Å²	66.6	35%	0.351	37%	0.365	S	S	.	.			trans	-66.8	109.7	174.1	-17.2	30.8	0	0	0	110.2	C952 T980	P944-C952 HydrophobicContact CB-CB 4.35Å; P944-T980 HydrophobicContact CB-CG2 4.18Å; P944-T980 HydrophobicContact CG-CG2 4.19Å
945	N	69.9	Low	68.2	Low	86 Å²	86	65.2 Å²	65.2	46%	0.46	35%	0.35	S	S	.	.			trans	-98.3	25	179.2	58.2	-53	0	0	0	112.3	T938 C939 R943	T938-N945 PolarHBondContact O-ND2 3.17Å; T938-N945 VanDerWaalsContact O-ND2 3.08Å; C939-N945 WeakPolarHBondContact CA-OD1 3.35Å; C939-N945 VanDerWaalsContact CB-OD1 3.28Å; C939-N945 WeakPolarHBondContact CB-OD1 3.34Å; R943-N945 PolarHBondContact O-N 3.45Å; R943-N945 VanDerWaalsContact O-N 3.11Å
946	C	71.9	Confident	69.2	Low	27 Å²	27	62.9 Å²	62.9	18%	0.182	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-80.4	148.8	-178.7	-65.3	0	0	0	0	112.4	C963	C946-C963 WeakPolarHBondContact CA-SG 3.28Å; C946-C963 HydrophobicContact CB-CB 3.72Å; C946-C963 WeakPolarHBondContact CB-SG 3.47Å; C946-C963 WeakPolarHBondContact SG-CA 2.99Å; C946-C963 WeakPolarHBondContact SG-CB 3.32Å; C946-C963 CovalentContact SG-SG 2.04Å; C946-C963 PolarHBondContact SG-SG 3.32Å
947	P	67.6	Low	69.7	Low	25 Å²	25	62.4 Å²	62.4	16%	0.162	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.2	161.6	176	27.1	-33.1	0	0	0	112.1	A929 M937 Y950	A929-P947 HydrophobicContact CB-CG 4.08Å; M937-P947 HydrophobicContact SD-CG 4.22Å; P947-Y950 HydrophobicContact CG-CD2 3.9Å; P947-Y950 HydrophobicContact CG-CG 4.06Å; P947-Y950 WeakPolarHBondContact O-CB 3.37Å; P947-Y950 PolarHBondContact O-N 3.48Å; P947-Y950 VanDerWaalsContact O-N 3.08Å
948	P	61.8	Low	69.6	Low	120 Å²	120	67.3 Å²	67.3	78%	0.779	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	147.6	175.1	-26	35.3	0	0	0	112.9	Y950	P948-Y950 PolarHBondContact O-N 2.8Å; P948-Y950 VanDerWaalsContact O-N 3.14Å
949	A	64.3	Low	69.3	Low	88 Å²	88	70.6 Å²	70.6	73%	0.727	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	-5.6	-170.2	0	0	0	0	0	116.5	G966	A949-G966 PolarHBondContact O-N 2.75Å
950	Y	72.6	Confident	69.6	Low	77 Å²	77	70.2 Å²	70.2	30%	0.302	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	151.7	168.2	-70.4	-107.3	0	0	0	111.1	A929 P947 P948 C963 C964 P965	A929-Y950 HydrophobicContact CB-CD1 3.8Å; A929-Y950 HydrophobicContact CB-CE1 3.77Å; A929-Y950 HydrophobicContact CB-CG 4.31Å; P947-Y950 HydrophobicContact CG-CD2 3.9Å; P947-Y950 HydrophobicContact CG-CG 4.06Å; P947-Y950 WeakPolarHBondContact O-CB 3.37Å; P947-Y950 PolarHBondContact O-N 3.48Å; P947-Y950 VanDerWaalsContact O-N 3.08Å; P948-Y950 PolarHBondContact O-N 2.8Å; P948-Y950 VanDerWaalsContact O-N 3.14Å; Y950-C963 HydrophobicContact CD1-CB 4.4Å; Y950-C963 WeakPolarHBondContact CD1-O 3Å; Y950-C964 CarbonylContact C-O 3.52Å; Y950-C964 VanDerWaalsContact CA-O 3.24Å; Y950-C964 WeakPolarHBondContact CA-O 3.49Å; Y950-P965 HydrophobicContact CD1-CG 4.31Å; Y950-P965 HydrophobicContact CE1-CB 4.48Å; Y950-P965 HydrophobicContact CE1-CG 3.75Å
951	W	71	Confident	70.3	Confident	33 Å²	33	67.8 Å²	67.8	13%	0.125	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.6	174.1	66.1	-75.9	0	0	0	109.8	H953 C963 C964 P965 L981 G1022 N1023 A1024	W951-H953 HydrophobicContact CH2-CB 3.94Å; W951-H953 AromaticContact CH2-CD2 3.87Å; W951-H953 HydrophobicContact CZ2-CB 4.23Å; W951-H953 HydrophobicContact CZ3-CB 4.22Å; W951-H953 PolarHBondContact O-N 3.37Å; W951-H953 VanDerWaalsContact O-N 3.16Å; W951-C963 CarbonylContact O-C 3.51Å; W951-C963 WeakPolarHBondContact O-CA 3.32Å; W951-C964 HydrophobicContact CZ2-CB 4.45Å; W951-C964 PolarHBondContact N-O 3.46Å; W951-C964 PolarHBondContact O-N 3.19Å; W951-P965 PolarHBondContact NE1-O 3.39Å; W951-L981 HydrophobicContact CB-CD2 4.05Å; W951-G1022 VanDerWaalsContact CH2-O 3.26Å; W951-G1022 WeakPolarHBondContact CH2-O 3.03Å; W951-G1022 VanDerWaalsContact CZ2-O 3.24Å; W951-G1022 WeakPolarHBondContact CZ2-O 3.09Å; W951-N1023 VanDerWaalsContact CH2-C 3.5Å; W951-A1024 HydrophobicContact CE3-CB 4.21Å
952	C	75.6	Confident	71.6	Confident	8 Å²	8	65.1 Å²	65.1	5%	0.054	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	103.8	179.3	-174.6	0	0	0	0	110	C939 P944 F954	C939-C952 HydrophobicContact CB-CB 3.83Å; C939-C952 WeakPolarHBondContact CB-SG 3.36Å; C939-C952 WeakPolarHBondContact SG-CA 3.42Å; C939-C952 WeakPolarHBondContact SG-CB 3.46Å; C939-C952 CovalentContact SG-SG 2.03Å; C939-C952 PolarHBondContact SG-SG 3.04Å; P944-C952 HydrophobicContact CB-CB 4.35Å; C952-F954 HydrophobicContact CB-CE1 4.39Å; C952-F954 HydrophobicContact CB-CE2 4.43Å; C952-F954 HydrophobicContact CB-CZ 4.02Å; C952-F954 PolarHBondContact O-N 3.39Å; C952-F954 WeakPolarHBondContact SG-CE1 3.42Å
953	H	81.4	Confident	73	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	117.3	169.8	170.1	-79	0	0	0	108.7	P922 W951 G955 T960 T961 V962 C964 Y1017 I1020 K1021	P922-H953 PolarHBondContact O-NE2 2.91Å; W951-H953 HydrophobicContact CH2-CB 3.94Å; W951-H953 AromaticContact CH2-CD2 3.87Å; W951-H953 HydrophobicContact CZ2-CB 4.23Å; W951-H953 HydrophobicContact CZ3-CB 4.22Å; W951-H953 PolarHBondContact O-N 3.37Å; W951-H953 VanDerWaalsContact O-N 3.16Å; H953-G955 PolarHBondContact O-N 3.41Å; H953-T960 PolarHBondContact ND1-O 2.59Å; H953-T961 CarbonylContact O-C 3.55Å; H953-T961 VanDerWaalsContact O-CA 3.25Å; H953-T961 WeakPolarHBondContact O-CA 3.37Å; H953-V962 WeakPolarHBondContact CB-O 3.3Å; H953-V962 PolarHBondContact N-O 2.04Å; H953-V962 PolarHBondContact O-N 3.04Å; H953-C964 HydrophobicContact CB-CB 3.92Å; H953-C964 WeakPolarHBondContact CB-SG 3.42Å; H953-Y1017 PolarHBondContact NE2-OH 3.13Å; H953-I1020 WeakPolarHBondContact NE2-CA 3.24Å; H953-K1021 PolarHBondContact NE2-N 3.31Å
954	F	77.8	Confident	74.2	Confident	39 Å²	39	48.5 Å²	48.5	17%	0.171	26%	0.264	C	S	.	.			trans	-85.2	108.5	175.7	-64	-67.4	0	0	0	110.4	P941 C952 T961 Y1017	P941-F954 HydrophobicContact CB-CE1 4.06Å; P941-F954 HydrophobicContact CG-CD1 4.31Å; P941-F954 HydrophobicContact CG-CE1 3.92Å; C952-F954 HydrophobicContact CB-CE1 4.39Å; C952-F954 HydrophobicContact CB-CE2 4.43Å; C952-F954 HydrophobicContact CB-CZ 4.02Å; C952-F954 PolarHBondContact O-N 3.39Å; C952-F954 WeakPolarHBondContact SG-CE1 3.42Å; F954-T961 HydrophobicContact CD1-CG2 3.87Å; F954-T961 HydrophobicContact CE1-CG2 4.41Å; F954-Y1017 WeakPolarHBondContact O-CE1 3.3Å
955	G	78.3	Confident	75	Confident	6 Å²	6	47.5 Å²	47.5	6%	0.062	26%	0.258	C	S	.	.			trans	-76.7	-166.4	178.9	0	0	0	0	0	113.7	H953 T960 T961 G1019	H953-G955 PolarHBondContact O-N 3.41Å; G955-T960 WeakPolarHBondContact CA-O 3.24Å; G955-T960 WeakPolarHBondContact CA-OG1 3.31Å; G955-T961 PolarHBondContact N-OG1 2.83Å; G955-G1019 CarbonylContact C-O 3.56Å; G955-G1019 WeakPolarHBondContact CA-O 3.33Å
956	Y	79.9	Confident	74.6	Confident	91 Å²	91	45.2 Å²	45.2	36%	0.357	25%	0.254	S	S	.	.	S	Bend	trans	-92.2	-15.1	167.5	63.3	-100.6	0	0	0	112.5	T960 H998 I1020	Y956-T960 HydrophobicContact CD1-CG2 4.35Å; Y956-T960 HydrophobicContact CE1-CG2 3.7Å; Y956-T960 PolarHBondContact N-OG1 2.81Å; Y956-T960 VanDerWaalsContact N-OG1 3.14Å; Y956-H998 AromaticContact CD1-CD2 3.43Å; Y956-H998 VanDerWaalsContact CD1-CD2 3.43Å; Y956-H998 WeakPolarHBondContact CD1-CD2 3.38Å; Y956-H998 AromaticContact CD1-NE2 3.52Å; Y956-H998 AromaticContact CD2-CE1 3.59Å; Y956-H998 AromaticContact CD2-NE2 3.56Å; Y956-H998 AromaticContact CE1-NE2 3.77Å; Y956-H998 AromaticContact CE2-NE2 3.85Å; Y956-H998 AromaticContact CG-CD2 3.52Å; Y956-H998 AromaticContact CG-CE1 3.66Å; Y956-H998 AromaticContact CG-CG 3.91Å; Y956-H998 AromaticContact CG-ND1 3.98Å; Y956-H998 AromaticContact CG-NE2 3.4Å; Y956-H998 AromaticContact CZ-NE2 3.94Å; Y956-I1020 HydrophobicContact CD1-CG2 4.28Å; Y956-I1020 HydrophobicContact CE1-CG2 4.15Å
957	D	76.9	Confident	73.7	Confident	56 Å²	56	48.3 Å²	48.3	30%	0.299	28%	0.277	S	S	.	.	S	Bend	trans	-142.7	176.5	174.9	72.4	5.1	0	0	0	111.4	K959 T960 T961	D957-K959 PolarHBondContact O-N 3.37Å; D957-K959 PolarHBondContact OD1-N 3.35Å; D957-T960 PolarHBondContact N-OG1 2.8Å; D957-T960 VanDerWaalsContact N-OG1 3.12Å; D957-T960 PolarHBondContact O-N 2.75Å; D957-T960 PolarHBondContact O-OG1 3.33Å; D957-T960 WeakPolarHBondContact OD1-CB 3.29Å; D957-T960 WeakPolarHBondContact OD1-CG2 3.34Å; D957-T960 PolarHBondContact OD1-N 2.78Å; D957-T960 PolarHBondContact OD1-OG1 3.29Å; D957-T961 WeakPolarHBondContact O-CB 3.42Å; D957-T961 PolarHBondContact O-N 3.3Å; D957-T961 PolarHBondContact O-OG1 3.48Å
958	D	71	Confident	72.4	Confident	140 Å²	140	50.6 Å²	50.6	75%	0.749	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.7	-179.4	-58.5	-31.9	0	0	0	113.1
959	K	72.7	Confident	71.1	Confident	148 Å²	148	53.7 Å²	53.7	64%	0.643	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-24.1	179.7	-63	-178.4	179.1	-179	0	112.7	R936 D957 V962	R936-K959 PolarHBondContact NH1-O 3.03Å; D957-K959 PolarHBondContact O-N 3.37Å; D957-K959 PolarHBondContact OD1-N 3.35Å; K959-V962 WeakPolarHBondContact O-CG1 3.4Å
960	T	79.2	Confident	69.5	Low	3 Å²	3	56.6 Å²	56.6	2%	0.018	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-6	174.8	53.2	0	0	0	0	113	P922 H953 G955 Y956 D957 V962 I1020	P922-T960 HydrophobicContact CB-CG2 4.33Å; H953-T960 PolarHBondContact ND1-O 2.59Å; G955-T960 WeakPolarHBondContact CA-O 3.24Å; G955-T960 WeakPolarHBondContact CA-OG1 3.31Å; Y956-T960 HydrophobicContact CD1-CG2 4.35Å; Y956-T960 HydrophobicContact CE1-CG2 3.7Å; Y956-T960 PolarHBondContact N-OG1 2.81Å; Y956-T960 VanDerWaalsContact N-OG1 3.14Å; D957-T960 PolarHBondContact N-OG1 2.8Å; D957-T960 VanDerWaalsContact N-OG1 3.12Å; D957-T960 PolarHBondContact O-N 2.75Å; D957-T960 PolarHBondContact O-OG1 3.33Å; D957-T960 WeakPolarHBondContact OD1-CB 3.29Å; D957-T960 WeakPolarHBondContact OD1-CG2 3.34Å; D957-T960 PolarHBondContact OD1-N 2.78Å; D957-T960 PolarHBondContact OD1-OG1 3.29Å; T960-V962 PolarHBondContact O-N 3.11Å; T960-I1020 HydrophobicContact CG2-CG2 4.34Å
961	T	83.2	Confident	67.5	Low	17 Å²	17	56 Å²	56	10%	0.104	30%	0.302	C	S	.	.			trans	-91	89.8	173.9	-59.8	0	0	0	0	111.3	T938 C939 H953 F954 G955 D957	T938-T961 WeakPolarHBondContact CA-O 3.24Å; C939-T961 PolarHBondContact N-O 2.62Å; C939-T961 VanDerWaalsContact O-CG2 3.27Å; C939-T961 WeakPolarHBondContact O-CG2 3.3Å; H953-T961 CarbonylContact O-C 3.55Å; H953-T961 VanDerWaalsContact O-CA 3.25Å; H953-T961 WeakPolarHBondContact O-CA 3.37Å; F954-T961 HydrophobicContact CD1-CG2 3.87Å; F954-T961 HydrophobicContact CE1-CG2 4.41Å; G955-T961 PolarHBondContact N-OG1 2.83Å; D957-T961 WeakPolarHBondContact O-CB 3.42Å; D957-T961 PolarHBondContact O-N 3.3Å; D957-T961 PolarHBondContact O-OG1 3.48Å
962	V	82.4	Confident	65.3	Low	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.6	-162.1	-57.9	0	0	0	0	111.9	P922 P928 R936 M937 T938 C939 H953 K959 T960 C964	P922-V962 HydrophobicContact CG-CG2 3.33Å; P928-V962 HydrophobicContact CB-CB 4.22Å; P928-V962 HydrophobicContact CB-CG2 3.79Å; P928-V962 HydrophobicContact CG-CG2 3.99Å; R936-V962 HydrophobicContact CG-CB 4.43Å; R936-V962 HydrophobicContact CG-CG1 4.13Å; M937-V962 VanDerWaalsContact O-CA 3.32Å; M937-V962 WeakPolarHBondContact O-CA 3.07Å; M937-V962 WeakPolarHBondContact O-CB 3.38Å; T938-V962 HydrophobicContact CG2-CG1 4.3Å; C939-V962 VanDerWaalsContact SG-C 3.55Å; H953-V962 WeakPolarHBondContact CB-O 3.3Å; H953-V962 PolarHBondContact N-O 2.04Å; H953-V962 PolarHBondContact O-N 3.04Å; K959-V962 WeakPolarHBondContact O-CG1 3.4Å; T960-V962 PolarHBondContact O-N 3.11Å; V962-C964 PolarHBondContact O-N 3.24Å
963	C	82	Confident	62.8	Low	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	115.9	178.4	-61.5	0	0	0	0	111.2	P928 A929 M937 C946 Y950 W951	P928-C963 CarbonylContact C-O 3.55Å; P928-C963 WeakPolarHBondContact CA-O 3.44Å; A929-C963 HydrophobicContact CB-CB 3.93Å; A929-C963 PolarHBondContact N-O 3.2Å; M937-C963 HydrophobicContact CB-CB 4.41Å; M937-C963 PolarHBondContact O-N 3.26Å; M937-C963 VanDerWaalsContact O-N 3.11Å; C946-C963 WeakPolarHBondContact CA-SG 3.28Å; C946-C963 HydrophobicContact CB-CB 3.72Å; C946-C963 WeakPolarHBondContact CB-SG 3.47Å; C946-C963 WeakPolarHBondContact SG-CA 2.99Å; C946-C963 WeakPolarHBondContact SG-CB 3.32Å; C946-C963 CovalentContact SG-SG 2.04Å; C946-C963 PolarHBondContact SG-SG 3.32Å; Y950-C963 HydrophobicContact CD1-CB 4.4Å; Y950-C963 WeakPolarHBondContact CD1-O 3Å; W951-C963 CarbonylContact O-C 3.51Å; W951-C963 WeakPolarHBondContact O-CA 3.32Å
964	C	80	Confident	60.2	Low	1 Å²	1	77 Å²	77	1%	0.007	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	153.2	179.5	-73.5	0	0	0	0	112.5	C923 Y950 W951 H953 V962	C923-C964 WeakPolarHBondContact CA-SG 3.18Å; C923-C964 HydrophobicContact CB-CB 3.75Å; C923-C964 WeakPolarHBondContact CB-SG 3.4Å; C923-C964 WeakPolarHBondContact SG-CA 3.06Å; C923-C964 WeakPolarHBondContact SG-CB 3.29Å; C923-C964 CovalentContact SG-SG 2.04Å; C923-C964 PolarHBondContact SG-SG 2.88Å; Y950-C964 CarbonylContact C-O 3.52Å; Y950-C964 VanDerWaalsContact CA-O 3.24Å; Y950-C964 WeakPolarHBondContact CA-O 3.49Å; W951-C964 HydrophobicContact CZ2-CB 4.45Å; W951-C964 PolarHBondContact N-O 3.46Å; W951-C964 PolarHBondContact O-N 3.19Å; H953-C964 HydrophobicContact CB-CB 3.92Å; H953-C964 WeakPolarHBondContact CB-SG 3.42Å; V962-C964 PolarHBondContact O-N 3.24Å
965	P	76	Confident	57.7	Low	33 Å²	33	80.4 Å²	80.4	21%	0.214	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	143.5	175.4	-22.1	33.2	0	0	0	112.8	E925 F927 Y950 W951	E925-P965 WeakPolarHBondContact O-CD 3.39Å; E925-P965 WeakPolarHBondContact O-CG 3.48Å; F927-P965 WeakPolarHBondContact O-CD 3.01Å; Y950-P965 HydrophobicContact CD1-CG 4.31Å; Y950-P965 HydrophobicContact CE1-CB 4.48Å; Y950-P965 HydrophobicContact CE1-CG 3.75Å; W951-P965 PolarHBondContact NE1-O 3.39Å
966	G	60.9	Low	55.4	Low	37 Å²	37	84.1 Å²	84.1	38%	0.381	44%	0.438	S	S	.	.			trans	-95.1	116	174	0	0	0	0	0	112.9	A949 N968	A949-G966 PolarHBondContact O-N 2.75Å; G966-N968 PolarHBondContact O-N 3.38Å; G966-N968 VanDerWaalsContact O-N 3.16Å
967	S	52.4	Low	53.1	Low	93 Å²	93	85.5 Å²	85.5	65%	0.65	46%	0.458	S	S	*	.			trans	-87	68.8	178.3	48.3	0	0	0	0	112.7
968	N	41.7	Very low	51	Low	72 Å²	72	88.4 Å²	88.4	39%	0.385	48%	0.482	S	S	.	.			trans	-120	88.1	172.6	-144.4	-0.2	0	0	0	111.6	G966 N970 M989	G966-N968 PolarHBondContact O-N 3.38Å; G966-N968 VanDerWaalsContact O-N 3.16Å; N968-N970 PolarHBondContact O-N 2.76Å; N968-M989 HydrophobicContact CB-CE 4.46Å
969	Q	33.4	Very low	49.3	Very low	185 Å²	185	84.4 Å²	84.4	86%	0.864	47%	0.465	S	S	*	.			trans	-73.5	-7.2	179.3	-71	-177.6	-17.3	0	0	113.8
970	N	31.1	Very low	47.7	Very low	150 Å²	150	80.7 Å²	80.7	80%	0.802	46%	0.455	S	S	*	.	S	Bend	trans	-130.3	54.9	-168.5	-79.7	-35.3	0	0	0	114.7	N968	N968-N970 PolarHBondContact O-N 2.76Å
971	S	31.1	Very low	46.1	Very low	65 Å²	65	83.1 Å²	83.1	46%	0.455	47%	0.467	S	S	.	.			trans	-157.9	85.8	156.8	61.2	0	0	0	0	113.1	H973	S971-H973 PolarHBondContact O-N 2.76Å
972	H	23.4	Very low	44.2	Very low	150 Å²	150	85.1 Å²	85.1	69%	0.694	48%	0.478	S	S	*	.			trans	-72	82	171.7	-89.1	-98.7	0	0	0	112.2
973	H	24.6	Very low	42.7	Very low	157 Å²	157	87.1 Å²	87.1	73%	0.727	49%	0.488	S	S	*	.			trans	-149.9	120.8	160.3	-85.6	-58.4	0	0	0	113.7	S971	S971-H973 PolarHBondContact O-N 2.76Å
974	F	25.4	Very low	41.3	Very low	173 Å²	173	92.8 Å²	92.8	76%	0.759	51%	0.513	S	S	*	.			trans	20.9	99	156.8	-70.9	-91.3	0	0	0	119.2
975	F	26.9	Very low	40.4	Very low	112 Å²	112	93.4 Å²	93.4	49%	0.491	52%	0.516	S	S	.	.			trans	-99	133.6	161.5	-80	-97.4	0	0	0	110.8	S979 D982	F975-S979 VanDerWaalsContact CD1-OG 3.3Å; F975-S979 WeakPolarHBondContact CD1-OG 3.46Å; F975-D982 HydrophobicContact CE1-CB 3.97Å; F975-D982 HydrophobicContact CZ-CB 3.77Å
976	S	28.7	Very low	39.9	Very low	84 Å²	84	92 Å²	92	59%	0.587	51%	0.507	S	S	*	.			trans	-110	151.2	173.4	-178.2	0	0	0	0	109	S978 S979	S976-S978 PolarHBondContact O-N 3.05Å; S976-S979 PolarHBondContact O-N 2.7Å; S976-S979 PolarHBondContact O-OG 2.9Å
977	P	32.6	Very low	40.6	Very low	120 Å²	120	90.7 Å²	90.7	78%	0.779	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	5.2	-163.4	-23.4	35.1	0	0	0	117.6
978	S	31.6	Very low	41.6	Very low	116 Å²	116	91.3 Å²	91.3	81%	0.811	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-7.4	175	-51	0	0	0	0	114	S976 T980	S976-S978 PolarHBondContact O-N 3.05Å; S978-T980 PolarHBondContact O-N 2.87Å
979	S	35.2	Very low	43.2	Very low	57 Å²	57	89.3 Å²	89.3	40%	0.399	48%	0.481	S	S	.	.			trans	-82.7	102.9	172.8	50.9	0	0	0	0	110.1	F975 S976	F975-S979 VanDerWaalsContact CD1-OG 3.3Å; F975-S979 WeakPolarHBondContact CD1-OG 3.46Å; S976-S979 PolarHBondContact O-N 2.7Å; S976-S979 PolarHBondContact O-OG 2.9Å
980	T	39.4	Very low	45.5	Very low	69 Å²	69	84.7 Å²	84.7	42%	0.423	47%	0.467	S	S	.	.			trans	-40.3	144.6	140.6	43.2	0	0	0	0	109.5	P944 S978 D982	P944-T980 HydrophobicContact CB-CG2 4.18Å; P944-T980 HydrophobicContact CG-CG2 4.19Å; S978-T980 PolarHBondContact O-N 2.87Å; T980-D982 PolarHBondContact O-N 3.16Å; T980-D982 VanDerWaalsContact O-N 3.09Å
981	L	45.3	Very low	47.9	Very low	54 Å²	54	81.7 Å²	81.7	28%	0.283	45%	0.449	S	S	.	.	S	Bend	trans	-34.5	119.1	179.1	178.5	76	0	0	0	110.2	W951 L983 M989 A1024	W951-L981 HydrophobicContact CB-CD2 4.05Å; L981-L983 PolarHBondContact O-N 3.15Å; L981-M989 HydrophobicContact CD2-CE 4.47Å; L981-A1024 HydrophobicContact CD2-CB 3.78Å
982	D	44.9	Very low	50.3	Low	59 Å²	59	81.9 Å²	81.9	32%	0.316	45%	0.445	S	S	.	.			trans	-50	109.6	-170.4	176.9	10.6	0	0	0	108.3	F975 T980 K984 T985	F975-D982 HydrophobicContact CE1-CB 3.97Å; F975-D982 HydrophobicContact CZ-CB 3.77Å; T980-D982 PolarHBondContact O-N 3.16Å; T980-D982 VanDerWaalsContact O-N 3.09Å; D982-K984 PolarHBondContact O-N 3.48Å; D982-K984 WeakPolarHBondContact OD1-CB 3.5Å; D982-K984 WeakPolarHBondContact OD1-CG 3.48Å; D982-K984 PolarHBondContact OD1-N 3.03Å; D982-T985 HydrophobicContact CB-CG2 4.29Å; D982-T985 WeakPolarHBondContact O-CA 3.32Å; D982-T985 WeakPolarHBondContact O-CB 3.44Å; D982-T985 PolarHBondContact O-N 3.12Å; D982-T985 PolarHBondContact O-OG1 2.82Å
983	L	50.1	Low	53.2	Low	42 Å²	42	79.5 Å²	79.5	22%	0.22	43%	0.434	C	S	.	.	H	α-helix	trans	-63.3	-19.7	-167.5	-86.4	130.7	0	0	0	111.4	L981 T985 A986 C987 F1027 F1036	L981-L983 PolarHBondContact O-N 3.15Å; L983-T985 VanDerWaalsContact C-N 3.33Å; L983-T985 PolarHBondContact O-N 2.94Å; L983-A986 WeakPolarHBondContact O-CB 3.48Å; L983-A986 PolarHBondContact O-N 2.85Å; L983-C987 PolarHBondContact O-N 2.94Å; L983-C987 PolarHBondContact O-SG 2.81Å; L983-F1027 HydrophobicContact CD2-CE1 4.11Å; L983-F1036 HydrophobicContact CB-CD1 4.4Å; L983-F1036 HydrophobicContact CD1-CD1 3.74Å; L983-F1036 HydrophobicContact CD1-CE1 3.76Å; L983-F1036 HydrophobicContact CD2-CB 4.21Å; L983-F1036 HydrophobicContact CD2-CD1 3.95Å; L983-F1036 HydrophobicContact CD2-CD2 4.34Å; L983-F1036 HydrophobicContact CD2-CE1 4.42Å; L983-F1036 HydrophobicContact CD2-CG 3.91Å; L983-F1036 HydrophobicContact CG-CD1 4.24Å
984	K	51.9	Low	55.8	Low	119 Å²	119	73.1 Å²	73.1	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-56.9	-43.3	166.6	-62.8	171.3	-174.6	164.9	0	112.5	D982 A986 C987 T988 E1040	D982-K984 PolarHBondContact O-N 3.48Å; D982-K984 WeakPolarHBondContact OD1-CB 3.5Å; D982-K984 WeakPolarHBondContact OD1-CG 3.48Å; D982-K984 PolarHBondContact OD1-N 3.03Å; K984-A986 VanDerWaalsContact C-N 3.32Å; K984-A986 PolarHBondContact O-N 2.76Å; K984-C987 WeakPolarHBondContact O-CB 3.45Å; K984-C987 PolarHBondContact O-N 2.68Å; K984-T988 PolarHBondContact O-N 3.27Å; K984-E1040 WeakPolarHBondContact CE-OE2 3.2Å
985	T	61	Low	58.3	Low	14 Å²	14	69.9 Å²	69.9	9%	0.086	40%	0.398	C	S	.	.	H	α-helix	trans	-63.6	-39.3	176.2	64.1	0	0	0	0	111.4	D982 L983 C987 T988 M989	D982-T985 HydrophobicContact CB-CG2 4.29Å; D982-T985 WeakPolarHBondContact O-CA 3.32Å; D982-T985 WeakPolarHBondContact O-CB 3.44Å; D982-T985 PolarHBondContact O-N 3.12Å; D982-T985 PolarHBondContact O-OG1 2.82Å; L983-T985 VanDerWaalsContact C-N 3.33Å; L983-T985 PolarHBondContact O-N 2.94Å; T985-C987 VanDerWaalsContact C-N 3.35Å; T985-C987 PolarHBondContact O-N 2.04Å; T985-T988 WeakPolarHBondContact CA-OG1 3.25Å; T985-T988 PolarHBondContact O-N 3.2Å; T985-T988 PolarHBondContact O-OG1 2.74Å; T985-M989 WeakPolarHBondContact O-CG 3.41Å; T985-M989 PolarHBondContact O-N 2.91Å; T985-M989 VanDerWaalsContact O-N 3.08Å
986	A	66.8	Low	60.6	Low	3 Å²	3	66.5 Å²	66.5	3%	0.025	39%	0.394	C	S	.	.	H	α-helix	trans	-60.5	-42.8	172.8	0	0	0	0	0	111.7	L983 K984 T988 M989 A1024 N1025	L983-A986 WeakPolarHBondContact O-CB 3.48Å; L983-A986 PolarHBondContact O-N 2.85Å; K984-A986 VanDerWaalsContact C-N 3.32Å; K984-A986 PolarHBondContact O-N 2.76Å; A986-T988 PolarHBondContact O-N 2.88Å; A986-M989 PolarHBondContact O-N 3.27Å; A986-A1024 HydrophobicContact CB-CB 3.67Å; A986-N1025 VanDerWaalsContact O-CB 3.22Å; A986-N1025 WeakPolarHBondContact O-CB 3.14Å
987	C	74.8	Confident	62.9	Low	11 Å²	11	72.2 Å²	72.2	7%	0.074	41%	0.409	C	S	.	.	H	α-helix	trans	-64.9	-21.3	174.1	-52	0	0	0	0	113.5	L983 K984 T985 F1005 C1037	L983-C987 PolarHBondContact O-N 2.94Å; L983-C987 PolarHBondContact O-SG 2.81Å; K984-C987 WeakPolarHBondContact O-CB 3.45Å; K984-C987 PolarHBondContact O-N 2.68Å; T985-C987 VanDerWaalsContact C-N 3.35Å; T985-C987 PolarHBondContact O-N 2.04Å; C987-F1005 HydrophobicContact CB-CB 4.33Å; C987-F1005 HydrophobicContact CB-CD1 3.97Å; C987-F1005 HydrophobicContact CB-CG 4.3Å; C987-F1005 WeakPolarHBondContact O-CD1 3.33Å; C987-C1037 HydrophobicContact CB-CB 3.88Å; C987-C1037 WeakPolarHBondContact CB-SG 3.26Å; C987-C1037 WeakPolarHBondContact SG-CA 3.3Å; C987-C1037 WeakPolarHBondContact SG-CB 3.04Å; C987-C1037 CovalentContact SG-SG 2.04Å; C987-C1037 PolarHBondContact SG-SG 3.09Å
988	T	73.4	Confident	64.9	Low	105 Å²	105	70.1 Å²	70.1	64%	0.644	39%	0.388	S	S	*	.	H	α-helix	trans	-92.5	-10.6	175	58.3	0	0	0	0	114.7	K984 T985 A986	K984-T988 PolarHBondContact O-N 3.27Å; T985-T988 WeakPolarHBondContact CA-OG1 3.25Å; T985-T988 PolarHBondContact O-N 3.2Å; T985-T988 PolarHBondContact O-OG1 2.74Å; A986-T988 PolarHBondContact O-N 2.88Å
989	M	75.6	Confident	67.3	Low	31 Å²	31	70 Å²	70	15%	0.153	38%	0.378	C	S	.	.	S	Bend	trans	-73.1	149.1	179.1	-77.3	174.9	-170.2	0	0	111.3	N968 L981 T985 A986 N1023 A1024 N1025	N968-M989 HydrophobicContact CB-CE 4.46Å; L981-M989 HydrophobicContact CD2-CE 4.47Å; T985-M989 WeakPolarHBondContact O-CG 3.41Å; T985-M989 PolarHBondContact O-N 2.91Å; T985-M989 VanDerWaalsContact O-N 3.08Å; A986-M989 PolarHBondContact O-N 3.27Å; M989-N1023 HydrophobicContact SD-CB 4.4Å; M989-A1024 HydrophobicContact SD-CB 3.92Å; M989-N1025 HydrophobicContact CB-CB 4.15Å; M989-N1025 PolarHBondContact O-ND2 2.84Å
990	P	81.9	Confident	69.4	Low	88 Å²	88	69.3 Å²	69.3	57%	0.571	37%	0.37	S	S	*	.			trans	-64.1	154.9	174.4	28.5	-35.7	0	0	0	111.2	I992 N1023	P990-I992 HydrophobicContact CG-CD1 4.37Å; P990-I992 HydrophobicContact CG-CG1 4.31Å; P990-I992 PolarHBondContact O-N 2.89Å; P990-N1023 PolarHBondContact O-ND2 2.03Å; P990-N1023 PolarHBondContact O-OD1 3.07Å
991	M	82.3	Confident	71.5	Confident	86 Å²	86	72 Å²	72	42%	0.424	38%	0.378	S	S	.	.			trans	-73.9	109.1	173.2	-56.3	-178	-76	0	0	109.7	A1004 I1013	M991-A1004 HydrophobicContact CB-CB 4.35Å; M991-A1004 HydrophobicContact CG-CB 3.56Å; M991-A1004 HydrophobicContact SD-CB 3.8Å; M991-I1013 HydrophobicContact CE-CD1 3.84Å; M991-I1013 HydrophobicContact SD-CD1 3.67Å; M991-I1013 HydrophobicContact SD-CG1 3.84Å
992	I	81.4	Confident	73.5	Confident	69 Å²	69	70.5 Å²	70.5	35%	0.354	37%	0.368	S	S	.	.			trans	-103.6	120.4	-179.8	-67	-177.1	0	0	0	110.2	P990 G994 F1015 N1023	P990-I992 HydrophobicContact CG-CD1 4.37Å; P990-I992 HydrophobicContact CG-CG1 4.31Å; P990-I992 PolarHBondContact O-N 2.89Å; I992-G994 VanDerWaalsContact C-N 3.25Å; I992-G994 PolarHBondContact O-N 3.05Å; I992-F1015 WeakPolarHBondContact O-CE2 3.45Å; I992-N1023 HydrophobicContact CD1-CB 4.2Å; I992-N1023 WeakPolarHBondContact CD1-ND2 3.09Å; I992-N1023 WeakPolarHBondContact CG1-ND2 3.21Å
993	Q	82.8	Confident	75.6	Confident	101 Å²	101	69.5 Å²	69.5	47%	0.472	36%	0.361	S	S	.	.			trans	-69	-23.5	-178.7	-152.7	-178.7	-4.9	0	0	113.4	V1016 Y1017 K1018	Q993-V1016 WeakPolarHBondContact CG-O 3.44Å; Q993-V1016 PolarHBondContact NE2-O 3.48Å; Q993-Y1017 WeakPolarHBondContact O-CD2 3.28Å; Q993-K1018 HydrophobicContact CG-CG 4.29Å; Q993-K1018 PolarHBondContact O-N 2.9Å
994	G	80.6	Confident	77.3	Confident	22 Å²	22	67.5 Å²	67.5	23%	0.227	35%	0.351	C	S	.	.			trans	79.3	179.5	-178.4	0	0	0	0	0	113.8	I992 K1018 I1020	I992-G994 VanDerWaalsContact C-N 3.25Å; I992-G994 PolarHBondContact O-N 3.05Å; G994-K1018 WeakPolarHBondContact O-CG 3.24Å; G994-I1020 CarbonylContact C-O 3.47Å; G994-I1020 VanDerWaalsContact CA-O 3.26Å; G994-I1020 WeakPolarHBondContact CA-O 2.97Å
995	E	77.6	Confident	78.9	Confident	106 Å²	106	63.3 Å²	63.3	50%	0.495	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-106.1	168.6	170.9	-73	178.1	-140.3	0	0	110.4	K1018 I1020 K1021	E995-K1018 VanDerWaalsContact C-CB 3.42Å; E995-K1018 CarbonylContact O-C 3.56Å; E995-K1018 WeakPolarHBondContact O-CB 3.25Å; E995-I1020 HydrophobicContact CB-CG1 4.3Å; E995-I1020 PolarHBondContact N-O 3.35Å; E995-I1020 WeakPolarHBondContact O-CG1 3.34Å; E995-I1020 PolarHBondContact O-N 3.29Å; E995-I1020 VanDerWaalsContact O-N 3.08Å; E995-K1021 HydrophobicContact CB-CB 4.34Å; E995-K1021 HydrophobicContact CB-CD 4.11Å; E995-K1021 HydrophobicContact CB-CG 4.38Å; E995-K1021 VanDerWaalsContact CD-CD 3.47Å; E995-K1021 HydrophobicContact CG-CD 4.09Å; E995-K1021 WeakPolarHBondContact OE1-CD 3.37Å; E995-K1021 IonicContact OE1-NZ 2.92Å; E995-K1021 PolarHBondContact OE1-NZ 3.21Å; E995-K1021 WeakPolarHBondContact OE2-CE 3.47Å; E995-K1021 IonicContact OE2-NZ 2.7Å; E995-K1021 PolarHBondContact OE2-NZ 3.1Å
996	G	74.9	Confident	79.9	Confident	41 Å²	41	64.4 Å²	64.4	42%	0.423	34%	0.338	S	S	.	.	S	Bend	trans	113.8	178.4	179	0	0	0	0	0	114.4	K1018	G996-K1018 CarbonylContact C-O 3.59Å
997	K	76.9	Confident	80	Confident	204 Å²	204	67.7 Å²	67.7	89%	0.887	37%	0.365	S	S	*	.	S	Bend	trans	-103.9	-1.1	-173.4	-64.7	-177.5	-177.5	174.3	0	114.2
998	H	73.7	Confident	79.7	Confident	76 Å²	76	76 Å²	76	35%	0.352	40%	0.403	S	S	.	.			trans	-84	162.6	179.8	-59.4	-93.7	0	0	0	110.3	Y956 I1000 K1018	Y956-H998 AromaticContact CD1-CD2 3.43Å; Y956-H998 VanDerWaalsContact CD1-CD2 3.43Å; Y956-H998 WeakPolarHBondContact CD1-CD2 3.38Å; Y956-H998 AromaticContact CD1-NE2 3.52Å; Y956-H998 AromaticContact CD2-CE1 3.59Å; Y956-H998 AromaticContact CD2-NE2 3.56Å; Y956-H998 AromaticContact CE1-NE2 3.77Å; Y956-H998 AromaticContact CE2-NE2 3.85Å; Y956-H998 AromaticContact CG-CD2 3.52Å; Y956-H998 AromaticContact CG-CE1 3.66Å; Y956-H998 AromaticContact CG-CG 3.91Å; Y956-H998 AromaticContact CG-ND1 3.98Å; Y956-H998 AromaticContact CG-NE2 3.4Å; Y956-H998 AromaticContact CZ-NE2 3.94Å; H998-I1000 HydrophobicContact CB-CD1 4.24Å; H998-I1000 HydrophobicContact CB-CG1 4.13Å; H998-K1018 WeakPolarHBondContact CB-O 3.37Å; H998-K1018 PolarHBondContact N-O 3.05Å; H998-K1018 VanDerWaalsContact N-O 3.16Å; H998-K1018 WeakPolarHBondContact O-CA 3.5Å; H998-K1018 VanDerWaalsContact O-CD 3.3Å; H998-K1018 WeakPolarHBondContact O-CD 3.36Å
999	N	81.8	Confident	79.9	Confident	113 Å²	113	74 Å²	74	60%	0.604	39%	0.392	S	S	*	.			trans	-133.9	96.5	171.9	-70.4	-48.5	0	0	0	106.9	V1016 K1018	N999-V1016 HydrophobicContact CB-CG1 3.69Å; N999-K1018 PolarHBondContact OD1-NZ 3.4Å
1000	I	79.4	Confident	79.5	Confident	43 Å²	43	74.2 Å²	74.2	22%	0.221	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.1	-173.6	-53.8	174.5	0	0	0	107.7	H998 R1002 Y1017	H998-I1000 HydrophobicContact CB-CD1 4.24Å; H998-I1000 HydrophobicContact CB-CG1 4.13Å; I1000-R1002 HydrophobicContact CG2-CG 4.23Å; I1000-R1002 PolarHBondContact O-N 2.87Å; I1000-Y1017 HydrophobicContact CD1-CD1 4.48Å; I1000-Y1017 PolarHBondContact N-O 3.29Å; I1000-Y1017 WeakPolarHBondContact O-CB 3.5Å; I1000-Y1017 PolarHBondContact O-N 3.39Å
1001	E	84.1	Confident	79.3	Confident	126 Å²	126	75.9 Å²	75.9	59%	0.589	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.4	174.4	-170.7	173.2	-165.8	0	0	110.3	S1014	E1001-S1014 PolarHBondContact OE1-OG 3.45Å
1002	R	88.5	Confident	79.4	Confident	22 Å²	22	72 Å²	72	8%	0.083	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	165.6	-178.5	-65.9	-65.6	-174	115.2	-3.3	109	I1000 S1014 F1015 Y1017 N1026	I1000-R1002 HydrophobicContact CG2-CG 4.23Å; I1000-R1002 PolarHBondContact O-N 2.87Å; R1002-S1014 CarbonylContact O-C 3.6Å; R1002-S1014 VanDerWaalsContact O-CA 3.22Å; R1002-S1014 WeakPolarHBondContact O-CA 3.29Å; R1002-F1015 HydrophobicContact CB-CD1 4.14Å; R1002-F1015 HydrophobicContact CB-CE1 3.61Å; R1002-F1015 HydrophobicContact CB-CZ 3.93Å; R1002-F1015 PolarHBondContact N-O 3.32Å; R1002-F1015 WeakPolarHBondContact O-CD1 3.44Å; R1002-F1015 PolarHBondContact O-N 3.02Å; R1002-Y1017 HydrophobicContact CG-CG 4.42Å; R1002-N1026 WeakPolarHBondContact CB-OD1 3.47Å; R1002-N1026 WeakPolarHBondContact CD-OD1 3.4Å; R1002-N1026 WeakPolarHBondContact CG-OD1 3.29Å; R1002-N1026 PolarHBondContact NH1-OD1 2.82Å
1003	F	88.7	Confident	79.6	Confident	37 Å²	37	71.9 Å²	71.9	16%	0.162	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.3	177.5	-65.7	-95.3	0	0	0	110.6	I1013 F1027 T1029 Q1030 C1033	F1003-I1013 CarbonylContact C-O 3.56Å; F1003-I1013 VanDerWaalsContact CA-O 3.24Å; F1003-I1013 WeakPolarHBondContact CA-O 3.36Å; F1003-F1027 HydrophobicContact CB-CB 4.41Å; F1003-F1027 PolarHBondContact N-O 3.35Å; F1003-F1027 WeakPolarHBondContact O-CB 3.35Å; F1003-F1027 WeakPolarHBondContact O-CD2 3.18Å; F1003-F1027 PolarHBondContact O-N 2.9Å; F1003-T1029 VanDerWaalsContact CD2-C 3.46Å; F1003-Q1030 HydrophobicContact CD1-CB 3.62Å; F1003-Q1030 HydrophobicContact CD1-CG 3.96Å; F1003-Q1030 VanDerWaalsContact CD2-N 3.29Å; F1003-Q1030 HydrophobicContact CE1-CB 3.58Å; F1003-Q1030 HydrophobicContact CE1-CG 4.08Å; F1003-Q1030 HydrophobicContact CG-CB 4.14Å; F1003-Q1030 HydrophobicContact CZ-CB 4.09Å; F1003-C1033 HydrophobicContact CB-CB 4.48Å
1004	A	86.1	Confident	79.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.6	176.4	0	0	0	0	0	110.1	M991 C1012 I1013 F1015 N1025	M991-A1004 HydrophobicContact CB-CB 4.35Å; M991-A1004 HydrophobicContact CG-CB 3.56Å; M991-A1004 HydrophobicContact SD-CB 3.8Å; A1004-C1012 CarbonylContact O-C 3.28Å; A1004-C1012 WeakPolarHBondContact O-CA 3.42Å; A1004-I1013 PolarHBondContact N-O 3.5Å; A1004-I1013 PolarHBondContact O-N 2.96Å; A1004-F1015 HydrophobicContact CB-CD1 3.92Å; A1004-F1015 HydrophobicContact CB-CE1 3.81Å; A1004-N1025 WeakPolarHBondContact CA-OD1 3.24Å; A1004-N1025 VanDerWaalsContact CB-O 3.24Å; A1004-N1025 WeakPolarHBondContact CB-O 3.43Å; A1004-N1025 WeakPolarHBondContact CB-OD1 3.32Å
1005	F	83.8	Confident	80.2	Confident	32 Å²	32	70.6 Å²	70.6	14%	0.14	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.6	173.3	-173.9	-101.4	0	0	0	109.6	C987 A1007 G1010 N1025 C1037 I1038	C987-F1005 HydrophobicContact CB-CB 4.33Å; C987-F1005 HydrophobicContact CB-CD1 3.97Å; C987-F1005 HydrophobicContact CB-CG 4.3Å; C987-F1005 WeakPolarHBondContact O-CD1 3.33Å; F1005-A1007 HydrophobicContact CD1-CB 4.47Å; F1005-A1007 HydrophobicContact CE1-CB 4.25Å; F1005-G1010 WeakPolarHBondContact CE2-O 3.24Å; F1005-N1025 PolarHBondContact N-OD1 2.68Å; F1005-N1025 PolarHBondContact O-ND2 2.79Å; F1005-C1037 HydrophobicContact CB-CB 4.14Å; F1005-C1037 VanDerWaalsContact CB-SG 3.57Å; F1005-C1037 HydrophobicContact CD1-CB 4.35Å; F1005-C1037 HydrophobicContact CD2-CB 3.47Å; F1005-C1037 VanDerWaalsContact CD2-CB 3.47Å; F1005-C1037 HydrophobicContact CE2-CB 3.87Å; F1005-C1037 HydrophobicContact CG-CB 3.73Å; F1005-C1037 HydrophobicContact CZ-CB 4.44Å; F1005-I1038 HydrophobicContact CE2-CG1 4.12Å
1006	D	83.9	Confident	80.5	Confident	37 Å²	37	68.8 Å²	68.8	20%	0.198	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.8	168.7	166.2	36.8	0	0	0	109.4	Q1008 S1009 G1010 Q1011 I1013	D1006-Q1008 PolarHBondContact O-N 3.06Å; D1006-Q1008 WeakPolarHBondContact OD1-CB 3.34Å; D1006-Q1008 PolarHBondContact OD1-N 3.49Å; D1006-S1009 PolarHBondContact O-N 3.27Å; D1006-S1009 WeakPolarHBondContact OD2-CB 3.24Å; D1006-S1009 PolarHBondContact OD2-N 2.83Å; D1006-S1009 PolarHBondContact OD2-OG 3.16Å; D1006-G1010 WeakPolarHBondContact O-CA 3.48Å; D1006-G1010 PolarHBondContact O-N 2.02Å; D1006-Q1011 PolarHBondContact N-O 3.13Å; D1006-Q1011 PolarHBondContact O-N 3.26Å; D1006-I1013 HydrophobicContact CB-CD1 4.17Å; D1006-I1013 HydrophobicContact CB-CG1 4.47Å
1007	A	67.1	Low	81	Confident	71 Å²	71	66.9 Å²	66.9	59%	0.587	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.9	179.1	0	0	0	0	0	113.9	F1005	F1005-A1007 HydrophobicContact CD1-CB 4.47Å; F1005-A1007 HydrophobicContact CE1-CB 4.25Å
1008	Q	70.2	Confident	81.4	Confident	187 Å²	187	59.7 Å²	59.7	87%	0.874	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-46.2	177	-60.3	-171.9	8	0	0	112.2	D1006	D1006-Q1008 PolarHBondContact O-N 3.06Å; D1006-Q1008 WeakPolarHBondContact OD1-CB 3.34Å; D1006-Q1008 PolarHBondContact OD1-N 3.49Å
1009	S	76.4	Confident	81.7	Confident	61 Å²	61	56.1 Å²	56.1	43%	0.427	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-19.3	174.6	61.7	0	0	0	0	114	D1006 Q1011	D1006-S1009 PolarHBondContact O-N 3.27Å; D1006-S1009 WeakPolarHBondContact OD2-CB 3.24Å; D1006-S1009 PolarHBondContact OD2-N 2.83Å; D1006-S1009 PolarHBondContact OD2-OG 3.16Å; S1009-Q1011 PolarHBondContact O-N 2.88Å; S1009-Q1011 PolarHBondContact OG-N 3.17Å
1010	G	67.4	Low	81.9	Confident	36 Å²	36	51.5 Å²	51.5	37%	0.371	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	19.5	-171.1	0	0	0	0	0	113.3	F1005 D1006	F1005-G1010 WeakPolarHBondContact CE2-O 3.24Å; D1006-G1010 WeakPolarHBondContact O-CA 3.48Å; D1006-G1010 PolarHBondContact O-N 2.02Å
1011	Q	76.9	Confident	82	Confident	123 Å²	123	52.2 Å²	52.2	58%	0.575	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	160.5	-176.4	-62.2	-165.6	9.8	0	0	112.7	D1006 S1009	D1006-Q1011 PolarHBondContact N-O 3.13Å; D1006-Q1011 PolarHBondContact O-N 3.26Å; S1009-Q1011 PolarHBondContact O-N 2.88Å; S1009-Q1011 PolarHBondContact OG-N 3.17Å
1012	C	85.1	Confident	81.8	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.8	171.6	-68	0	0	0	0	110.1	A1004 Q1030 C1033 Q1034	A1004-C1012 CarbonylContact O-C 3.28Å; A1004-C1012 WeakPolarHBondContact O-CA 3.42Å; C1012-Q1030 HydrophobicContact CB-CG 4.06Å; C1012-Q1030 PolarHBondContact O-NE2 2.96Å; C1012-C1033 HydrophobicContact CB-CB 3.67Å; C1012-C1033 WeakPolarHBondContact CB-SG 3.47Å; C1012-C1033 WeakPolarHBondContact SG-CB 3.16Å; C1012-C1033 CovalentContact SG-SG 2.03Å; C1012-C1033 PolarHBondContact SG-SG 3.16Å; C1012-Q1034 HydrophobicContact CB-CG 4.28Å; C1012-Q1034 PolarHBondContact SG-N 2.97Å; C1012-Q1034 VanDerWaalsContact SG-N 3.36Å
1013	I	86.8	Confident	81.3	Confident	66 Å²	66	46.1 Å²	46.1	34%	0.338	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	155.2	-177.9	65.7	174.8	0	0	0	111.1	M991 F1003 A1004 D1006	M991-I1013 HydrophobicContact CE-CD1 3.84Å; M991-I1013 HydrophobicContact SD-CD1 3.67Å; M991-I1013 HydrophobicContact SD-CG1 3.84Å; F1003-I1013 CarbonylContact C-O 3.56Å; F1003-I1013 VanDerWaalsContact CA-O 3.24Å; F1003-I1013 WeakPolarHBondContact CA-O 3.36Å; A1004-I1013 PolarHBondContact N-O 3.5Å; A1004-I1013 PolarHBondContact O-N 2.96Å; D1006-I1013 HydrophobicContact CB-CD1 4.17Å; D1006-I1013 HydrophobicContact CB-CG1 4.47Å
1014	S	86	Confident	80.7	Confident	65 Å²	65	45.3 Å²	45.3	46%	0.455	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	151.2	176.2	59	0	0	0	0	113	E1001 R1002	E1001-S1014 PolarHBondContact OE1-OG 3.45Å; R1002-S1014 CarbonylContact O-C 3.6Å; R1002-S1014 VanDerWaalsContact O-CA 3.22Å; R1002-S1014 WeakPolarHBondContact O-CA 3.29Å
1015	F	88	Confident	80.7	Confident	30 Å²	30	45.3 Å²	45.3	13%	0.132	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	165.4	175.6	78.8	-76.1	0	0	0	111.2	I992 R1002 A1004 Y1017 N1026	I992-F1015 WeakPolarHBondContact O-CE2 3.45Å; R1002-F1015 HydrophobicContact CB-CD1 4.14Å; R1002-F1015 HydrophobicContact CB-CE1 3.61Å; R1002-F1015 HydrophobicContact CB-CZ 3.93Å; R1002-F1015 PolarHBondContact N-O 3.32Å; R1002-F1015 WeakPolarHBondContact O-CD1 3.44Å; R1002-F1015 PolarHBondContact O-N 3.02Å; A1004-F1015 HydrophobicContact CB-CD1 3.92Å; A1004-F1015 HydrophobicContact CB-CE1 3.81Å; F1015-Y1017 HydrophobicContact CE2-CD2 4.32Å; F1015-N1026 HydrophobicContact CZ-CB 4.18Å
1016	V	85.9	Confident	80.7	Confident	68 Å²	68	44.5 Å²	44.5	41%	0.412	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	101.5	-176.2	-178.1	0	0	0	0	110.9	Q993 N999	Q993-V1016 WeakPolarHBondContact CG-O 3.44Å; Q993-V1016 PolarHBondContact NE2-O 3.48Å; N999-V1016 HydrophobicContact CB-CG1 3.69Å
1017	Y	85.2	Confident	80.6	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142	-179.5	-179.4	-121.7	0	0	0	113.2	H953 F954 Q993 I1000 R1002 F1015 G1019 I1020 G1022 N1026	H953-Y1017 PolarHBondContact NE2-OH 3.13Å; F954-Y1017 WeakPolarHBondContact O-CE1 3.3Å; Q993-Y1017 WeakPolarHBondContact O-CD2 3.28Å; I1000-Y1017 HydrophobicContact CD1-CD1 4.48Å; I1000-Y1017 PolarHBondContact N-O 3.29Å; I1000-Y1017 WeakPolarHBondContact O-CB 3.5Å; I1000-Y1017 PolarHBondContact O-N 3.39Å; R1002-Y1017 HydrophobicContact CG-CG 4.42Å; F1015-Y1017 HydrophobicContact CE2-CD2 4.32Å; Y1017-G1019 VanDerWaalsContact CE1-CA 3.45Å; Y1017-I1020 VanDerWaalsContact OH-C 3.27Å; Y1017-I1020 WeakPolarHBondContact OH-CA 3.12Å; Y1017-I1020 PolarHBondContact OH-N 2.88Å; Y1017-I1020 PolarHBondContact OH-O 3.28Å; Y1017-G1022 VanDerWaalsContact CE2-CA 3.45Å; Y1017-G1022 WeakPolarHBondContact OH-CA 3.01Å; Y1017-G1022 PolarHBondContact OH-N 3Å; Y1017-N1026 WeakPolarHBondContact CD2-ND2 3.48Å
1018	K	84.8	Confident	81	Confident	54 Å²	54	44.4 Å²	44.4	24%	0.235	24%	0.243	C	C	.	.			trans	-88.5	-9.9	-173.3	-65.6	-58.2	-173.5	179	0	116.8	Q993 G994 E995 G996 H998 N999	Q993-K1018 HydrophobicContact CG-CG 4.29Å; Q993-K1018 PolarHBondContact O-N 2.9Å; G994-K1018 WeakPolarHBondContact O-CG 3.24Å; E995-K1018 VanDerWaalsContact C-CB 3.42Å; E995-K1018 CarbonylContact O-C 3.56Å; E995-K1018 WeakPolarHBondContact O-CB 3.25Å; G996-K1018 CarbonylContact C-O 3.59Å; H998-K1018 WeakPolarHBondContact CB-O 3.37Å; H998-K1018 PolarHBondContact N-O 3.05Å; H998-K1018 VanDerWaalsContact N-O 3.16Å; H998-K1018 WeakPolarHBondContact O-CA 3.5Å; H998-K1018 VanDerWaalsContact O-CD 3.3Å; H998-K1018 WeakPolarHBondContact O-CD 3.36Å; N999-K1018 PolarHBondContact OD1-NZ 3.4Å
1019	G	80.1	Confident	81.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	107.7	-28.2	170.9	0	0	0	0	0	114.9	G955 Y1017	G955-G1019 CarbonylContact C-O 3.56Å; G955-G1019 WeakPolarHBondContact CA-O 3.33Å; Y1017-G1019 VanDerWaalsContact CE1-CA 3.45Å
1020	I	85.7	Confident	81.6	Confident	16 Å²	16	40 Å²	40	8%	0.082	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-132.3	165.5	173	60.5	170.7	0	0	0	112	P922 H953 Y956 T960 G994 E995 Y1017 G1022	P922-I1020 HydrophobicContact CB-CB 4.26Å; P922-I1020 HydrophobicContact CB-CG2 3.75Å; H953-I1020 WeakPolarHBondContact NE2-CA 3.24Å; Y956-I1020 HydrophobicContact CD1-CG2 4.28Å; Y956-I1020 HydrophobicContact CE1-CG2 4.15Å; T960-I1020 HydrophobicContact CG2-CG2 4.34Å; G994-I1020 CarbonylContact C-O 3.47Å; G994-I1020 VanDerWaalsContact CA-O 3.26Å; G994-I1020 WeakPolarHBondContact CA-O 2.97Å; E995-I1020 HydrophobicContact CB-CG1 4.3Å; E995-I1020 PolarHBondContact N-O 3.35Å; E995-I1020 WeakPolarHBondContact O-CG1 3.34Å; E995-I1020 PolarHBondContact O-N 3.29Å; E995-I1020 VanDerWaalsContact O-N 3.08Å; Y1017-I1020 VanDerWaalsContact OH-C 3.27Å; Y1017-I1020 WeakPolarHBondContact OH-CA 3.12Å; Y1017-I1020 PolarHBondContact OH-N 2.88Å; Y1017-I1020 PolarHBondContact OH-O 3.28Å; I1020-G1022 VanDerWaalsContact C-N 3.26Å; I1020-G1022 PolarHBondContact O-N 3.42Å
1021	K	82.1	Confident	81.5	Confident	59 Å²	59	43.8 Å²	43.8	26%	0.257	23%	0.227	S	C	.	.	S	Bend	trans	56.1	31.5	177.3	-54.3	-166.5	-175.6	168.9	0	115.4	P922 A924 H953 E995	P922-K1021 WeakPolarHBondContact O-CA 3.46Å; P922-K1021 PolarHBondContact O-N 2.8Å; A924-K1021 HydrophobicContact CB-CB 3.86Å; A924-K1021 HydrophobicContact CB-CG 4.37Å; H953-K1021 PolarHBondContact NE2-N 3.31Å; E995-K1021 HydrophobicContact CB-CB 4.34Å; E995-K1021 HydrophobicContact CB-CD 4.11Å; E995-K1021 HydrophobicContact CB-CG 4.38Å; E995-K1021 VanDerWaalsContact CD-CD 3.47Å; E995-K1021 HydrophobicContact CG-CD 4.09Å; E995-K1021 WeakPolarHBondContact OE1-CD 3.37Å; E995-K1021 IonicContact OE1-NZ 2.92Å; E995-K1021 PolarHBondContact OE1-NZ 3.21Å; E995-K1021 WeakPolarHBondContact OE2-CE 3.47Å; E995-K1021 IonicContact OE2-NZ 2.7Å; E995-K1021 PolarHBondContact OE2-NZ 3.1Å
1022	G	78.8	Confident	81	Confident	3 Å²	3	41.2 Å²	41.2	3%	0.031	21%	0.212	C	C	.	.			trans	-75.1	-178.4	167.9	0	0	0	0	0	113.3	W951 Y1017 I1020	W951-G1022 VanDerWaalsContact CH2-O 3.26Å; W951-G1022 WeakPolarHBondContact CH2-O 3.03Å; W951-G1022 VanDerWaalsContact CZ2-O 3.24Å; W951-G1022 WeakPolarHBondContact CZ2-O 3.09Å; Y1017-G1022 VanDerWaalsContact CE2-CA 3.45Å; Y1017-G1022 WeakPolarHBondContact OH-CA 3.01Å; Y1017-G1022 PolarHBondContact OH-N 3Å; I1020-G1022 VanDerWaalsContact C-N 3.26Å; I1020-G1022 PolarHBondContact O-N 3.42Å
1023	N	79.2	Confident	80.7	Confident	17 Å²	17	40.9 Å²	40.9	9%	0.091	21%	0.21	C	C	.	.			trans	-123.3	-173.3	167.7	71	5.1	0	0	0	111.2	W951 M989 P990 I992 N1025 N1026	W951-N1023 VanDerWaalsContact CH2-C 3.5Å; M989-N1023 HydrophobicContact SD-CB 4.4Å; P990-N1023 PolarHBondContact O-ND2 2.03Å; P990-N1023 PolarHBondContact O-OD1 3.07Å; I992-N1023 HydrophobicContact CD1-CB 4.2Å; I992-N1023 WeakPolarHBondContact CD1-ND2 3.09Å; I992-N1023 WeakPolarHBondContact CG1-ND2 3.21Å; N1023-N1025 VanDerWaalsContact C-N 3.35Å; N1023-N1025 PolarHBondContact O-N 3.11Å; N1023-N1025 PolarHBondContact OD1-N 2.93Å; N1023-N1026 WeakPolarHBondContact O-CB 3.46Å
1024	A	76.2	Confident	79.9	Confident	19 Å²	19	41.6 Å²	41.6	16%	0.157	21%	0.212	C	C	.	.	S	Bend	trans	-75	-13.3	-174.2	0	0	0	0	0	115.2	W951 L981 A986 M989 N1026	W951-A1024 HydrophobicContact CE3-CB 4.21Å; L981-A1024 HydrophobicContact CD2-CB 3.78Å; A986-A1024 HydrophobicContact CB-CB 3.67Å; M989-A1024 HydrophobicContact SD-CB 3.92Å; A1024-N1026 PolarHBondContact O-N 3.48Å
1025	N	84.2	Confident	78.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.213	C	C	.	.			trans	-80	57	174.8	-159.6	-1.7	0	0	0	110.8	A986 M989 A1004 F1005 N1023	A986-N1025 VanDerWaalsContact O-CB 3.22Å; A986-N1025 WeakPolarHBondContact O-CB 3.14Å; M989-N1025 HydrophobicContact CB-CB 4.15Å; M989-N1025 PolarHBondContact O-ND2 2.84Å; A1004-N1025 WeakPolarHBondContact CA-OD1 3.24Å; A1004-N1025 VanDerWaalsContact CB-O 3.24Å; A1004-N1025 WeakPolarHBondContact CB-O 3.43Å; A1004-N1025 WeakPolarHBondContact CB-OD1 3.32Å; F1005-N1025 PolarHBondContact N-OD1 2.68Å; F1005-N1025 PolarHBondContact O-ND2 2.79Å; N1023-N1025 VanDerWaalsContact C-N 3.35Å; N1023-N1025 PolarHBondContact O-N 3.11Å; N1023-N1025 PolarHBondContact OD1-N 2.93Å
1026	N	85.2	Confident	77.8	Confident	14 Å²	14	43.6 Å²	43.6	8%	0.075	22%	0.219	C	C	.	.			trans	-147.9	88.3	-169.1	-177.9	-24.8	0	0	0	109.8	R1002 F1015 Y1017 N1023 A1024	R1002-N1026 WeakPolarHBondContact CB-OD1 3.47Å; R1002-N1026 WeakPolarHBondContact CD-OD1 3.4Å; R1002-N1026 WeakPolarHBondContact CG-OD1 3.29Å; R1002-N1026 PolarHBondContact NH1-OD1 2.82Å; F1015-N1026 HydrophobicContact CZ-CB 4.18Å; Y1017-N1026 WeakPolarHBondContact CD2-ND2 3.48Å; N1023-N1026 WeakPolarHBondContact O-CB 3.46Å; A1024-N1026 PolarHBondContact O-N 3.48Å
1027	F	81	Confident	77	Confident	9 Å²	9	41 Å²	41	4%	0.039	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-100.1	144.1	-176.8	-57.6	-84.2	0	0	0	111.5	L983 F1003 T1029 R1032 C1033 F1036	L983-F1027 HydrophobicContact CD2-CE1 4.11Å; F1003-F1027 HydrophobicContact CB-CB 4.41Å; F1003-F1027 PolarHBondContact N-O 3.35Å; F1003-F1027 WeakPolarHBondContact O-CB 3.35Å; F1003-F1027 WeakPolarHBondContact O-CD2 3.18Å; F1003-F1027 PolarHBondContact O-N 2.9Å; F1027-T1029 PolarHBondContact O-N 3.23Å; F1027-R1032 HydrophobicContact CD1-CG 4.33Å; F1027-C1033 HydrophobicContact CB-CB 3.93Å; F1027-C1033 HydrophobicContact CD1-CB 4.46Å; F1027-C1033 HydrophobicContact CD2-CB 3.62Å; F1027-C1033 HydrophobicContact CE2-CB 4.24Å; F1027-C1033 HydrophobicContact CG-CB 3.75Å; F1027-F1036 HydrophobicContact CE1-CB 4.29Å; F1027-F1036 HydrophobicContact CE1-CD2 4.37Å
1028	L	75.8	Confident	76.1	Confident	98 Å²	98	44.8 Å²	44.8	51%	0.513	22%	0.223	S	C	.	.	S	Bend	trans	-68.5	-31	-179.9	-175.1	62.2	0	0	0	113.6
1029	T	79.9	Confident	74.7	Confident	65 Å²	65	45 Å²	45	40%	0.399	24%	0.235	S	C	.	.	S	Bend	trans	-141.4	151.6	-178.6	68.6	0	0	0	0	111.5	F1003 F1027 K1031 R1032 C1033	F1003-T1029 VanDerWaalsContact CD2-C 3.46Å; F1027-T1029 PolarHBondContact O-N 3.23Å; T1029-K1031 VanDerWaalsContact C-N 3.26Å; T1029-K1031 PolarHBondContact O-N 3.33Å; T1029-R1032 WeakPolarHBondContact O-CB 3.4Å; T1029-R1032 PolarHBondContact O-N 3.48Å; T1029-R1032 VanDerWaalsContact O-N 3.1Å; T1029-R1032 WeakPolarHBondContact OG1-CB 3.31Å; T1029-R1032 PolarHBondContact OG1-N 2.98Å; T1029-C1033 PolarHBondContact O-N 2.73Å; T1029-C1033 VanDerWaalsContact O-N 3.13Å
1030	Q	78.4	Confident	73.2	Confident	89 Å²	89	47.4 Å²	47.4	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-54.7	-43.6	174.7	-162.4	-179.6	4.8	0	0	111.8	F1003 C1012 R1032 C1033 Q1034	F1003-Q1030 HydrophobicContact CD1-CB 3.62Å; F1003-Q1030 HydrophobicContact CD1-CG 3.96Å; F1003-Q1030 VanDerWaalsContact CD2-N 3.29Å; F1003-Q1030 HydrophobicContact CE1-CB 3.58Å; F1003-Q1030 HydrophobicContact CE1-CG 4.08Å; F1003-Q1030 HydrophobicContact CG-CB 4.14Å; F1003-Q1030 HydrophobicContact CZ-CB 4.09Å; C1012-Q1030 HydrophobicContact CB-CG 4.06Å; C1012-Q1030 PolarHBondContact O-NE2 2.96Å; Q1030-R1032 VanDerWaalsContact C-N 3.31Å; Q1030-R1032 PolarHBondContact O-N 2.97Å; Q1030-C1033 WeakPolarHBondContact O-CB 3.26Å; Q1030-C1033 PolarHBondContact O-N 2.88Å; Q1030-Q1034 WeakPolarHBondContact O-CG 3.24Å; Q1030-Q1034 PolarHBondContact O-N 3.26Å
1031	K	65.8	Low	71.7	Confident	117 Å²	117	54.9 Å²	54.9	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-37.8	178.7	-168.2	176.3	-177.2	-177.7	0	112	T1029 Q1034 V1035 S1055	T1029-K1031 VanDerWaalsContact C-N 3.26Å; T1029-K1031 PolarHBondContact O-N 3.33Å; K1031-Q1034 PolarHBondContact O-N 2.88Å; K1031-V1035 WeakPolarHBondContact O-CG2 3.09Å; K1031-V1035 PolarHBondContact O-N 3.15Å; K1031-S1055 PolarHBondContact NZ-O 2.89Å
1032	R	67.9	Low	70.6	Confident	68 Å²	68	57.3 Å²	57.3	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-64.7	-47.2	175.4	-171.5	170.2	177.1	150.8	-0.4	110.9	P941 F1027 T1029 Q1030 Q1034 V1035 F1036	P941-R1032 VanDerWaalsContact O-CZ 3.28Å; P941-R1032 PolarHBondContact O-NH1 3.35Å; P941-R1032 PolarHBondContact O-NH2 2.9Å; F1027-R1032 HydrophobicContact CD1-CG 4.33Å; T1029-R1032 WeakPolarHBondContact O-CB 3.4Å; T1029-R1032 PolarHBondContact O-N 3.48Å; T1029-R1032 VanDerWaalsContact O-N 3.1Å; T1029-R1032 WeakPolarHBondContact OG1-CB 3.31Å; T1029-R1032 PolarHBondContact OG1-N 2.98Å; Q1030-R1032 VanDerWaalsContact C-N 3.31Å; Q1030-R1032 PolarHBondContact O-N 2.97Å; R1032-Q1034 VanDerWaalsContact C-N 3.35Å; R1032-Q1034 PolarHBondContact O-N 3.05Å; R1032-V1035 PolarHBondContact O-N 3.28Å; R1032-F1036 HydrophobicContact CG-CD2 3.76Å; R1032-F1036 HydrophobicContact CG-CE2 3.71Å; R1032-F1036 VanDerWaalsContact O-CD2 3.23Å; R1032-F1036 WeakPolarHBondContact O-CD2 3.45Å; R1032-F1036 PolarHBondContact O-N 2.85Å; R1032-F1036 VanDerWaalsContact O-N 3.14Å
1033	C	77	Confident	70.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-44.4	174	174	0	0	0	0	112.1	F1003 C1012 F1027 T1029 Q1030 F1036 C1037	F1003-C1033 HydrophobicContact CB-CB 4.48Å; C1012-C1033 HydrophobicContact CB-CB 3.67Å; C1012-C1033 WeakPolarHBondContact CB-SG 3.47Å; C1012-C1033 WeakPolarHBondContact SG-CB 3.16Å; C1012-C1033 CovalentContact SG-SG 2.03Å; C1012-C1033 PolarHBondContact SG-SG 3.16Å; F1027-C1033 HydrophobicContact CB-CB 3.93Å; F1027-C1033 HydrophobicContact CD1-CB 4.46Å; F1027-C1033 HydrophobicContact CD2-CB 3.62Å; F1027-C1033 HydrophobicContact CE2-CB 4.24Å; F1027-C1033 HydrophobicContact CG-CB 3.75Å; T1029-C1033 PolarHBondContact O-N 2.73Å; T1029-C1033 VanDerWaalsContact O-N 3.13Å; Q1030-C1033 WeakPolarHBondContact O-CB 3.26Å; Q1030-C1033 PolarHBondContact O-N 2.88Å; C1033-F1036 PolarHBondContact O-N 3.06Å; C1033-C1037 WeakPolarHBondContact O-CB 3.03Å; C1033-C1037 PolarHBondContact O-N 3.28Å
1034	Q	71.8	Confident	70.6	Confident	81 Å²	81	57.7 Å²	57.7	38%	0.379	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-46	179.3	-73.1	170.8	-22.1	0	0	112.5	C1012 Q1030 K1031 R1032 F1036 I1038 A1039	C1012-Q1034 HydrophobicContact CB-CG 4.28Å; C1012-Q1034 PolarHBondContact SG-N 2.97Å; C1012-Q1034 VanDerWaalsContact SG-N 3.36Å; Q1030-Q1034 WeakPolarHBondContact O-CG 3.24Å; Q1030-Q1034 PolarHBondContact O-N 3.26Å; K1031-Q1034 PolarHBondContact O-N 2.88Å; R1032-Q1034 VanDerWaalsContact C-N 3.35Å; R1032-Q1034 PolarHBondContact O-N 3.05Å; Q1034-F1036 PolarHBondContact O-N 3.04Å; Q1034-I1038 HydrophobicContact CB-CD1 4.24Å; Q1034-I1038 HydrophobicContact CG-CD1 4.03Å; Q1034-I1038 WeakPolarHBondContact O-CA 3.01Å; Q1034-I1038 WeakPolarHBondContact O-CB 3.39Å; Q1034-I1038 PolarHBondContact O-N 2.88Å; Q1034-A1039 PolarHBondContact O-N 2.04Å
1035	V	62.8	Low	71	Confident	78 Å²	78	56.8 Å²	56.8	47%	0.473	29%	0.29	S	S	.	.	I	π-helix	trans	-61.8	-45.9	178.6	170.9	0	0	0	0	111	K1031 R1032 A1039	K1031-V1035 WeakPolarHBondContact O-CG2 3.09Å; K1031-V1035 PolarHBondContact O-N 3.15Å; R1032-V1035 PolarHBondContact O-N 3.28Å; V1035-A1039 WeakPolarHBondContact O-CB 3.42Å; V1035-A1039 PolarHBondContact O-N 2.88Å
1036	F	65.4	Low	70.8	Confident	59 Å²	59	59 Å²	59	26%	0.259	31%	0.305	S	S	.	.	I	π-helix	trans	-73.5	-45.4	-177.7	-75.8	-64.2	0	0	0	113.6	L983 F1027 R1032 C1033 Q1034	L983-F1036 HydrophobicContact CB-CD1 4.4Å; L983-F1036 HydrophobicContact CD1-CD1 3.74Å; L983-F1036 HydrophobicContact CD1-CE1 3.76Å; L983-F1036 HydrophobicContact CD2-CB 4.21Å; L983-F1036 HydrophobicContact CD2-CD1 3.95Å; L983-F1036 HydrophobicContact CD2-CD2 4.34Å; L983-F1036 HydrophobicContact CD2-CE1 4.42Å; L983-F1036 HydrophobicContact CD2-CG 3.91Å; L983-F1036 HydrophobicContact CG-CD1 4.24Å; F1027-F1036 HydrophobicContact CE1-CB 4.29Å; F1027-F1036 HydrophobicContact CE1-CD2 4.37Å; R1032-F1036 HydrophobicContact CG-CD2 3.76Å; R1032-F1036 HydrophobicContact CG-CE2 3.71Å; R1032-F1036 VanDerWaalsContact O-CD2 3.23Å; R1032-F1036 WeakPolarHBondContact O-CD2 3.45Å; R1032-F1036 PolarHBondContact O-N 2.85Å; R1032-F1036 VanDerWaalsContact O-N 3.14Å; C1033-F1036 PolarHBondContact O-N 3.06Å; Q1034-F1036 PolarHBondContact O-N 3.04Å
1037	C	68.9	Low	70.2	Confident	13 Å²	13	65.3 Å²	65.3	9%	0.088	33%	0.334	C	S	.	.	I	π-helix	trans	-87.2	-24.8	-174.2	-59.3	0	0	0	0	114.4	C987 F1005 C1033	C987-C1037 HydrophobicContact CB-CB 3.88Å; C987-C1037 WeakPolarHBondContact CB-SG 3.26Å; C987-C1037 WeakPolarHBondContact SG-CA 3.3Å; C987-C1037 WeakPolarHBondContact SG-CB 3.04Å; C987-C1037 CovalentContact SG-SG 2.04Å; C987-C1037 PolarHBondContact SG-SG 3.09Å; F1005-C1037 HydrophobicContact CB-CB 4.14Å; F1005-C1037 VanDerWaalsContact CB-SG 3.57Å; F1005-C1037 HydrophobicContact CD1-CB 4.35Å; F1005-C1037 HydrophobicContact CD2-CB 3.47Å; F1005-C1037 VanDerWaalsContact CD2-CB 3.47Å; F1005-C1037 HydrophobicContact CE2-CB 3.87Å; F1005-C1037 HydrophobicContact CG-CB 3.73Å; F1005-C1037 HydrophobicContact CZ-CB 4.44Å; C1033-C1037 WeakPolarHBondContact O-CB 3.03Å; C1033-C1037 PolarHBondContact O-N 3.28Å
1038	I	67.1	Low	70	Confident	80 Å²	80	67 Å²	67	41%	0.41	35%	0.353	S	S	.	.	I	π-helix	trans	-108	-39.3	-172.5	-48.3	178.2	0	0	0	112.2	F1005 Q1034	F1005-I1038 HydrophobicContact CE2-CG1 4.12Å; Q1034-I1038 HydrophobicContact CB-CD1 4.24Å; Q1034-I1038 HydrophobicContact CG-CD1 4.03Å; Q1034-I1038 WeakPolarHBondContact O-CA 3.01Å; Q1034-I1038 WeakPolarHBondContact O-CB 3.39Å; Q1034-I1038 PolarHBondContact O-N 2.88Å
1039	A	54.6	Low	70.2	Confident	59 Å²	59	68.1 Å²	68.1	49%	0.488	35%	0.354	S	S	.	.	I	π-helix	trans	-80.9	-26.1	-173.8	0	0	0	0	0	114.5	Q1034 V1035 Q1041 L1042	Q1034-A1039 PolarHBondContact O-N 2.04Å; V1035-A1039 WeakPolarHBondContact O-CB 3.42Å; V1035-A1039 PolarHBondContact O-N 2.88Å; A1039-Q1041 VanDerWaalsContact C-N 3.25Å; A1039-Q1041 PolarHBondContact O-N 2.76Å; A1039-L1042 PolarHBondContact O-N 2.84Å
1040	E	48.5	Very low	70.4	Confident	50 Å²	50	66 Å²	66	23%	0.234	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62	-27.5	-177	-82.7	-148.1	158.9	0	0	114.6	K984 L1042 N1043 F1049	K984-E1040 WeakPolarHBondContact CE-OE2 3.2Å; E1040-L1042 PolarHBondContact O-N 3.24Å; E1040-N1043 PolarHBondContact O-N 2.76Å; E1040-F1049 HydrophobicContact CG-CE1 4.29Å
1041	Q	54.4	Low	70.4	Confident	174 Å²	174	62.5 Å²	62.5	81%	0.813	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.8	-14.3	-177.1	-66.2	-170.7	-2.9	0	0	113.9	A1039	A1039-Q1041 VanDerWaalsContact C-N 3.25Å; A1039-Q1041 PolarHBondContact O-N 2.76Å
1042	L	59.5	Low	70.8	Confident	110 Å²	110	60.2 Å²	60.2	58%	0.576	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-118.6	5.9	-172.7	-89.4	142.1	0	0	0	115.2	A1039 E1040 P1044	A1039-L1042 PolarHBondContact O-N 2.84Å; E1040-L1042 PolarHBondContact O-N 3.24Å; L1042-P1044 WeakPolarHBondContact O-CD 3.47Å; L1042-P1044 VanDerWaalsContact O-N 3.13Å
1043	N	75.3	Confident	70.8	Confident	26 Å²	26	60 Å²	60	14%	0.139	33%	0.331	C	S	.	.			trans	-63.3	110.9	-176.6	177.5	1.7	0	0	0	112.5	E1040 C1045 G1048 F1049 K1128	E1040-N1043 PolarHBondContact O-N 2.76Å; N1043-C1045 WeakPolarHBondContact OD1-CB 3.46Å; N1043-C1045 PolarHBondContact OD1-N 2.8Å; N1043-G1048 PolarHBondContact ND2-O 2.89Å; N1043-F1049 HydrophobicContact CB-CD1 4.42Å; N1043-F1049 VanDerWaalsContact ND2-CD1 3.32Å; N1043-F1049 WeakPolarHBondContact ND2-CD1 3.23Å; N1043-K1128 WeakPolarHBondContact O-CE 3.29Å; N1043-K1128 PolarHBondContact O-NZ 3.37Å
1044	P	82.2	Confident	69.8	Low	2 Å²	2	70 Å²	70	1%	0.013	38%	0.378	C	S	.	.			trans	-85.9	-14.5	-177.3	38.3	-37.1	0	0	0	113.8	L1042 P1050 H1075 T1082 V1084 I1127 K1128	L1042-P1044 WeakPolarHBondContact O-CD 3.47Å; L1042-P1044 VanDerWaalsContact O-N 3.13Å; P1044-P1050 HydrophobicContact CG-CG 4.37Å; P1044-H1075 PolarHBondContact O-NE2 3.09Å; P1044-T1082 HydrophobicContact CB-CG2 4.33Å; P1044-V1084 HydrophobicContact CG-CG2 3.33Å; P1044-I1127 HydrophobicContact CB-CB 4.29Å; P1044-I1127 HydrophobicContact CB-CG2 3.78Å; P1044-K1128 WeakPolarHBondContact O-CA 3.31Å; P1044-K1128 PolarHBondContact O-N 3.17Å
1045	C	85.5	Confident	68.7	Low	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.382	C	S	.	.			trans	-73.2	133.4	-174.1	-59.2	0	0	0	0	111.7	N1043 Q1047 C1086 K1128	N1043-C1045 WeakPolarHBondContact OD1-CB 3.46Å; N1043-C1045 PolarHBondContact OD1-N 2.8Å; C1045-Q1047 VanDerWaalsContact C-N 3.31Å; C1045-Q1047 WeakPolarHBondContact CB-O 3.49Å; C1045-C1086 WeakPolarHBondContact CA-SG 3.48Å; C1045-C1086 HydrophobicContact CB-CB 3.75Å; C1045-C1086 WeakPolarHBondContact CB-SG 3.44Å; C1045-C1086 WeakPolarHBondContact SG-CA 3.21Å; C1045-C1086 WeakPolarHBondContact SG-CB 3.49Å; C1045-C1086 CovalentContact SG-SG 2.03Å; C1045-C1086 PolarHBondContact SG-SG 3.18Å; C1045-K1128 WeakPolarHBondContact O-CD 3.34Å; C1045-K1128 WeakPolarHBondContact O-CE 2.98Å; C1045-K1128 PolarHBondContact O-NZ 2.89Å
1046	S	79.8	Confident	68.1	Low	47 Å²	47	67.9 Å²	67.9	33%	0.329	38%	0.382	S	S	.	.	S	Bend	trans	-68.8	-28.6	176.5	42.7	0	0	0	0	113.3	G1129	S1046-G1129 VanDerWaalsContact CB-O 3.29Å; S1046-G1129 WeakPolarHBondContact CB-O 3.28Å; S1046-G1129 PolarHBondContact OG-O 3.39Å
1047	Q	72.5	Confident	68.3	Low	147 Å²	147	67.4 Å²	67.4	69%	0.687	39%	0.39	S	S	*	.	S	Bend	trans	-133.2	137.2	172.7	-67.6	-64.5	-18.9	0	0	109	C1045 P1087	C1045-Q1047 VanDerWaalsContact C-N 3.31Å; C1045-Q1047 WeakPolarHBondContact CB-O 3.49Å; Q1047-P1087 WeakPolarHBondContact O-CG 3.29Å
1048	G	77	Confident	68.5	Low	43 Å²	43	69.6 Å²	69.6	44%	0.443	40%	0.402	S	S	.	.	S	Bend	trans	65.3	-162.8	-179	0	0	0	0	0	115.3	N1043	N1043-G1048 PolarHBondContact ND2-O 2.89Å
1049	F	80.1	Confident	69.1	Low	122 Å²	122	68.4 Å²	68.4	54%	0.535	40%	0.395	S	S	.	.			trans	-109.6	158.3	176.3	-70.6	-83.2	0	0	0	110.7	E1040 N1043 P1087	E1040-F1049 HydrophobicContact CG-CE1 4.29Å; N1043-F1049 HydrophobicContact CB-CD1 4.42Å; N1043-F1049 VanDerWaalsContact ND2-CD1 3.32Å; N1043-F1049 WeakPolarHBondContact ND2-CD1 3.23Å; F1049-P1087 VanDerWaalsContact O-CD 3.28Å; F1049-P1087 WeakPolarHBondContact O-CD 3.33Å
1050	P	83.4	Confident	70.5	Confident	22 Å²	22	68.6 Å²	68.6	14%	0.143	39%	0.386	C	S	.	.			trans	-55.9	143	171.1	-24.5	36.2	0	0	0	111.3	P1044 S1052 V1058 V1084 C1085	P1044-P1050 HydrophobicContact CG-CG 4.37Å; P1050-S1052 PolarHBondContact O-N 3.48Å; P1050-V1058 HydrophobicContact CB-CG1 3.47Å; P1050-V1058 VanDerWaalsContact CB-CG1 3.47Å; P1050-V1058 HydrophobicContact CB-CG2 4.34Å; P1050-V1058 HydrophobicContact CG-CG1 4.32Å; P1050-V1084 HydrophobicContact CB-CB 4.06Å; P1050-V1084 HydrophobicContact CB-CG2 3.8Å; P1050-V1084 HydrophobicContact CG-CG2 3.83Å; P1050-C1085 CarbonylContact C-O 3.56Å; P1050-C1085 WeakPolarHBondContact CA-O 3.35Å
1051	A	79.1	Confident	72	Confident	15 Å²	15	67 Å²	67	12%	0.124	38%	0.38	C	S	.	.			trans	-57.7	129.5	172.4	0	0	0	0	0	109.7	H1059 Y1072 C1085	A1051-H1059 HydrophobicContact CB-CB 4.25Å; A1051-H1059 WeakPolarHBondContact O-CB 2.96Å; A1051-H1059 PolarHBondContact O-N 2.84Å; A1051-Y1072 HydrophobicContact CB-CD1 3.67Å; A1051-Y1072 HydrophobicContact CB-CE1 3.56Å; A1051-Y1072 HydrophobicContact CB-CG 4.31Å; A1051-C1085 HydrophobicContact CB-CB 4Å; A1051-C1085 PolarHBondContact N-O 2.88Å
1052	S	74.6	Confident	72.6	Confident	69 Å²	69	59.7 Å²	59.7	48%	0.483	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-114.7	156.8	171.6	64.2	0	0	0	0	110.8	P1050 A1057	P1050-S1052 PolarHBondContact O-N 3.48Å; S1052-A1057 CarbonylContact C-O 3.5Å; S1052-A1057 WeakPolarHBondContact CA-O 3.02Å
1053	D	67.3	Low	72.6	Confident	63 Å²	63	62.5 Å²	62.5	34%	0.337	36%	0.361	S	S	.	.			trans	-76	179.2	163.5	69.1	15.7	0	0	0	111.5	S1055 G1056 A1057	D1053-S1055 PolarHBondContact O-N 3.12Å; D1053-S1055 VanDerWaalsContact OD1-CA 3.3Å; D1053-S1055 WeakPolarHBondContact OD1-CA 3.1Å; D1053-S1055 VanDerWaalsContact OD1-CB 3.27Å; D1053-S1055 WeakPolarHBondContact OD1-CB 3.14Å; D1053-S1055 PolarHBondContact OD1-N 3.19Å; D1053-S1055 PolarHBondContact OD1-OG 3.36Å; D1053-S1055 PolarHBondContact OD2-OG 2.96Å; D1053-G1056 PolarHBondContact O-N 2.78Å; D1053-G1056 PolarHBondContact OD1-N 3.47Å; D1053-A1057 PolarHBondContact N-O 3.5Å; D1053-A1057 PolarHBondContact OD1-N 2.8Å
1054	E	57	Low	71.5	Confident	211 Å²	211	71.8 Å²	71.8	99%	0.986	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.9	177.8	-63.2	-179.4	176.2	0	0	113.2	G1056	E1054-G1056 VanDerWaalsContact C-N 3.31Å
1055	S	47.5	Very low	69.9	Low	67 Å²	67	74.8 Å²	74.8	47%	0.469	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.9	173.3	87.3	0	0	0	0	112.6	K1031 D1053 A1057	K1031-S1055 PolarHBondContact NZ-O 2.89Å; D1053-S1055 PolarHBondContact O-N 3.12Å; D1053-S1055 VanDerWaalsContact OD1-CA 3.3Å; D1053-S1055 WeakPolarHBondContact OD1-CA 3.1Å; D1053-S1055 VanDerWaalsContact OD1-CB 3.27Å; D1053-S1055 WeakPolarHBondContact OD1-CB 3.14Å; D1053-S1055 PolarHBondContact OD1-N 3.19Å; D1053-S1055 PolarHBondContact OD1-OG 3.36Å; D1053-S1055 PolarHBondContact OD2-OG 2.96Å; S1055-A1057 PolarHBondContact OG-N 3.01Å
1056	G	50.7	Low	68.6	Low	46 Å²	46	79.6 Å²	79.6	47%	0.474	45%	0.452	S	S	.	.			trans	90.9	7.1	-172.8	0	0	0	0	0	113.8	D1053 E1054	D1053-G1056 PolarHBondContact O-N 2.78Å; D1053-G1056 PolarHBondContact OD1-N 3.47Å; E1054-G1056 VanDerWaalsContact C-N 3.31Å
1057	A	68.6	Low	68.1	Low	50 Å²	50	82.7 Å²	82.7	41%	0.413	47%	0.473	S	S	.	.			trans	-76.9	131.2	176.9	0	0	0	0	0	110.4	S1052 D1053 S1055	S1052-A1057 CarbonylContact C-O 3.5Å; S1052-A1057 WeakPolarHBondContact CA-O 3.02Å; D1053-A1057 PolarHBondContact N-O 3.5Å; D1053-A1057 PolarHBondContact OD1-N 2.8Å; S1055-A1057 PolarHBondContact OG-N 3.01Å
1058	V	72.8	Confident	68.6	Low	59 Å²	59	76.9 Å²	76.9	36%	0.358	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-74.1	130	-175.6	174.4	0	0	0	0	111.3	P1050 H1060 V1084	P1050-V1058 HydrophobicContact CB-CG1 3.47Å; P1050-V1058 VanDerWaalsContact CB-CG1 3.47Å; P1050-V1058 HydrophobicContact CB-CG2 4.34Å; P1050-V1058 HydrophobicContact CG-CG1 4.32Å; V1058-H1060 PolarHBondContact O-CD2 3.3Å; V1058-H1060 VanDerWaalsContact O-CD2 3.26Å; V1058-H1060 PolarHBondContact O-N 3.3Å; V1058-H1060 VanDerWaalsContact O-N 3.07Å; V1058-V1084 HydrophobicContact CG1-CB 3.9Å; V1058-V1084 HydrophobicContact CG1-CG1 3.5Å
1059	H	80.9	Confident	68.8	Low	54 Å²	54	83 Å²	83	25%	0.25	46%	0.459	C	S	.	.			trans	-68.9	102.2	172.2	-86.8	-108.3	0	0	0	110.7	A1051 V1084 C1085	A1051-H1059 HydrophobicContact CB-CB 4.25Å; A1051-H1059 WeakPolarHBondContact O-CB 2.96Å; A1051-H1059 PolarHBondContact O-N 2.84Å; H1059-V1084 WeakPolarHBondContact O-CA 3.41Å; H1059-C1085 HydrophobicContact CB-CB 4.23Å; H1059-C1085 PolarHBondContact O-N 3.43Å
1060	H	82.8	Confident	68.7	Low	64 Å²	64	84 Å²	84	30%	0.296	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-76.1	150.2	165.8	-65.5	-72.3	0	0	0	111.4	V1058 R1080 T1083	V1058-H1060 PolarHBondContact O-CD2 3.3Å; V1058-H1060 VanDerWaalsContact O-CD2 3.26Å; V1058-H1060 PolarHBondContact O-N 3.3Å; V1058-H1060 VanDerWaalsContact O-N 3.07Å; H1060-R1080 PolarHBondContact CE1-O 3.4Å; H1060-R1080 VanDerWaalsContact CE1-O 3.25Å; H1060-R1080 PolarHBondContact ND1-O 3.32Å; H1060-T1083 PolarHBondContact ND1-O 3.48Å
1061	C	80.5	Confident	68.4	Low	17 Å²	17	85 Å²	85	12%	0.115	49%	0.49	C	S	.	.			trans	-137	170.9	-179.3	60.2	0	0	0	0	110.6	I1066 C1074 T1083 V1084	C1061-I1066 WeakPolarHBondContact CB-O 2.93Å; C1061-C1074 HydrophobicContact CB-CB 3.77Å; C1061-C1074 WeakPolarHBondContact CB-SG 3.46Å; C1061-C1074 WeakPolarHBondContact SG-CA 3.29Å; C1061-C1074 WeakPolarHBondContact SG-CB 3.25Å; C1061-C1074 CovalentContact SG-SG 2.03Å; C1061-C1074 PolarHBondContact SG-SG 2.81Å; C1061-T1083 VanDerWaalsContact O-CG2 3.29Å; C1061-T1083 WeakPolarHBondContact O-CG2 3.49Å; C1061-V1084 PolarHBondContact SG-O 2.82Å
1062	G	67.5	Low	68.8	Low	20 Å²	20	88.7 Å²	88.7	21%	0.206	50%	0.501	C	S	.	.	B	Isolated β-bridge	trans	146.1	-169.8	171.9	0	0	0	0	0	115.3	Y1064 G1065	G1062-Y1064 VanDerWaalsContact C-N 3.26Å; G1062-Y1064 PolarHBondContact O-N 2.77Å; G1062-G1065 PolarHBondContact O-N 2.86Å; G1062-G1065 VanDerWaalsContact O-N 3.08Å
1063	Q	60.1	Low	69.4	Low	168 Å²	168	86.9 Å²	86.9	79%	0.785	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.5	-164.3	-170.8	174	3.2	0	0	115.7
1064	Y	52.4	Low	70.4	Confident	222 Å²	222	85.2 Å²	85.2	87%	0.871	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	21.3	-178.4	-63.4	-73.7	0	0	0	114.4	G1062	G1062-Y1064 VanDerWaalsContact C-N 3.26Å; G1062-Y1064 PolarHBondContact O-N 2.77Å
1065	G	48	Very low	71.9	Confident	65 Å²	65	75.2 Å²	75.2	67%	0.67	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	74.9	156.7	0	0	0	0	0	117.1	G1062	G1062-G1065 PolarHBondContact O-N 2.86Å; G1062-G1065 VanDerWaalsContact O-N 3.08Å
1066	I	58.4	Low	73.7	Confident	100 Å²	100	75.8 Å²	75.8	51%	0.513	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-135.4	117.7	137.9	-69.3	174.1	0	0	0	106.2	C1061	C1061-I1066 WeakPolarHBondContact CB-O 2.93Å
1067	S	69.3	Low	75.2	Confident	112 Å²	112	74 Å²	74	78%	0.783	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-79.8	147.3	169.1	56.1	0	0	0	0	110.4
1068	C	81.9	Confident	75.7	Confident	26 Å²	26	74.5 Å²	74.5	18%	0.176	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-71.1	151	175.4	-62	0	0	0	0	111.9	Y1072 W1073 C1085	C1068-Y1072 WeakPolarHBondContact CB-O 3.42Å; C1068-W1073 VanDerWaalsContact SG-C 3.57Å; C1068-C1085 WeakPolarHBondContact CA-SG 3.48Å; C1068-C1085 HydrophobicContact CB-CB 3.79Å; C1068-C1085 WeakPolarHBondContact CB-SG 3.04Å; C1068-C1085 WeakPolarHBondContact SG-CA 3.31Å; C1068-C1085 WeakPolarHBondContact SG-CB 3.45Å; C1068-C1085 CovalentContact SG-SG 2.04Å; C1068-C1085 PolarHBondContact SG-SG 3.48Å
1069	R	81.3	Confident	76.1	Confident	172 Å²	172	74.4 Å²	74.4	65%	0.649	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.3	156	175.4	-145.9	-175.8	-61.3	-134	6.1	110	G1071 Y1072	R1069-G1071 PolarHBondContact O-N 3.42Å; R1069-Y1072 WeakPolarHBondContact O-CB 3.41Å; R1069-Y1072 PolarHBondContact O-N 3.03Å
1070	T	77.8	Confident	76	Confident	141 Å²	141	81.8 Å²	81.8	87%	0.865	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	132.8	179.8	-6.2	0	0	0	0	111.8	Y1072	T1070-Y1072 VanDerWaalsContact C-N 3.34Å
1071	G	78.5	Confident	75.8	Confident	45 Å²	45	81.3 Å²	81.3	46%	0.464	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-12.2	-173.9	0	0	0	0	0	115.4	R1069 G1088 A1089	R1069-G1071 PolarHBondContact O-N 3.42Å; G1071-G1088 PolarHBondContact O-N 2.83Å; G1071-G1088 VanDerWaalsContact O-N 3.08Å; G1071-A1089 PolarHBondContact O-N 2.03Å
1072	Y	87.6	Confident	75.9	Confident	92 Å²	92	81 Å²	81	36%	0.361	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.9	176	-68.4	-102.9	0	0	0	111.9	A1051 C1068 R1069 T1070 C1086 P1087	A1051-Y1072 HydrophobicContact CB-CD1 3.67Å; A1051-Y1072 HydrophobicContact CB-CE1 3.56Å; A1051-Y1072 HydrophobicContact CB-CG 4.31Å; C1068-Y1072 WeakPolarHBondContact CB-O 3.42Å; R1069-Y1072 WeakPolarHBondContact O-CB 3.41Å; R1069-Y1072 PolarHBondContact O-N 3.03Å; T1070-Y1072 VanDerWaalsContact C-N 3.34Å; Y1072-C1086 CarbonylContact C-O 3.58Å; Y1072-C1086 VanDerWaalsContact CA-O 3.24Å; Y1072-C1086 WeakPolarHBondContact CA-O 3.48Å; Y1072-C1086 WeakPolarHBondContact CB-O 3.36Å; Y1072-C1086 VanDerWaalsContact CD1-C 3.4Å; Y1072-C1086 WeakPolarHBondContact CD1-O 3.11Å; Y1072-P1087 HydrophobicContact CD1-CB 4Å; Y1072-P1087 HydrophobicContact CE1-CB 3.67Å; Y1072-P1087 HydrophobicContact CE1-CG 4.26Å
1073	W	86.9	Confident	76.9	Confident	31 Å²	31	81.1 Å²	81.1	12%	0.117	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.8	178	64.9	-80.9	0	0	0	110.8	C1068 H1075 C1085 C1086 P1087 A1089 N1130 Q1131	C1068-W1073 VanDerWaalsContact SG-C 3.57Å; W1073-H1075 HydrophobicContact CE3-CB 4.47Å; W1073-H1075 HydrophobicContact CH2-CB 4.02Å; W1073-H1075 AromaticContact CH2-CD2 3.95Å; W1073-H1075 HydrophobicContact CZ3-CB 3.99Å; W1073-H1075 PolarHBondContact O-N 2.8Å; W1073-C1085 CarbonylContact O-C 3.03Å; W1073-C1085 WeakPolarHBondContact O-CA 2.99Å; W1073-C1086 HydrophobicContact CZ2-CB 4.17Å; W1073-C1086 PolarHBondContact N-O 3.23Å; W1073-C1086 PolarHBondContact O-N 2.79Å; W1073-P1087 PolarHBondContact NE1-O 2.79Å; W1073-A1089 HydrophobicContact CB-CB 4.09Å; W1073-N1130 VanDerWaalsContact CH2-C 3.47Å; W1073-Q1131 HydrophobicContact CB-CG 4.03Å; W1073-Q1131 HydrophobicContact CD2-CG 3.29Å; W1073-Q1131 HydrophobicContact CE3-CB 4.34Å; W1073-Q1131 HydrophobicContact CE3-CG 3.47Å; W1073-Q1131 VanDerWaalsContact CE3-CG 3.47Å; W1073-Q1131 HydrophobicContact CG-CG 3.54Å; W1073-Q1131 HydrophobicContact CH2-CG 4.42Å; W1073-Q1131 HydrophobicContact CZ2-CG 4.3Å; W1073-Q1131 HydrophobicContact CZ3-CG 4.03Å
1074	C	87.9	Confident	78.2	Confident	28 Å²	28	73.1 Å²	73.1	19%	0.189	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	109.4	-179.8	-173.9	0	0	0	0	111	C1061 Y1076	C1061-C1074 HydrophobicContact CB-CB 3.77Å; C1061-C1074 WeakPolarHBondContact CB-SG 3.46Å; C1061-C1074 WeakPolarHBondContact SG-CA 3.29Å; C1061-C1074 WeakPolarHBondContact SG-CB 3.25Å; C1061-C1074 CovalentContact SG-SG 2.03Å; C1061-C1074 PolarHBondContact SG-SG 2.81Å; C1074-Y1076 HydrophobicContact CB-CE2 4Å; C1074-Y1076 WeakPolarHBondContact O-CD2 3.28Å; C1074-Y1076 VanDerWaalsContact SG-CZ 3.55Å
1075	H	89.1	Confident	80	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.8	169.1	170.9	-79	0	0	0	109.6	P1044 W1073 T1082 T1083 V1084 C1086 Y1124	P1044-H1075 PolarHBondContact O-NE2 3.09Å; W1073-H1075 HydrophobicContact CE3-CB 4.47Å; W1073-H1075 HydrophobicContact CH2-CB 4.02Å; W1073-H1075 AromaticContact CH2-CD2 3.95Å; W1073-H1075 HydrophobicContact CZ3-CB 3.99Å; W1073-H1075 PolarHBondContact O-N 2.8Å; H1075-T1082 PolarHBondContact CE1-O 2.8Å; H1075-T1082 PolarHBondContact ND1-O 2.91Å; H1075-T1083 CarbonylContact O-C 3.39Å; H1075-T1083 VanDerWaalsContact O-CA 3.23Å; H1075-T1083 WeakPolarHBondContact O-CA 3.2Å; H1075-V1084 PolarHBondContact N-O 2.98Å; H1075-V1084 PolarHBondContact O-N 3.32Å; H1075-V1084 VanDerWaalsContact O-N 3.12Å; H1075-C1086 HydrophobicContact CB-CB 4.27Å; H1075-C1086 WeakPolarHBondContact CB-SG 3.36Å; H1075-Y1124 AromaticContact NE2-CZ 3.95Å; H1075-Y1124 PolarHBondContact NE2-OH 3.33Å
1076	Y	84	Confident	81.9	Confident	79 Å²	79	59.6 Å²	59.6	31%	0.31	33%	0.327	S	S	.	.			trans	-98.2	99.2	178.4	-72.2	-82.2	0	0	0	111.6	C1074 T1083 R1109 Y1124	C1074-Y1076 HydrophobicContact CB-CE2 4Å; C1074-Y1076 WeakPolarHBondContact O-CD2 3.28Å; C1074-Y1076 VanDerWaalsContact SG-CZ 3.55Å; Y1076-T1083 HydrophobicContact CD1-CG2 3.94Å; Y1076-T1083 HydrophobicContact CE1-CG2 4.4Å; Y1076-R1109 PolarHBondContact O-NH1 2.78Å; Y1076-R1109 PolarHBondContact O-NH2 2.8Å; Y1076-Y1124 WeakPolarHBondContact O-CE1 3.3Å
1077	G	82.5	Confident	83.2	Confident	8 Å²	8	56.4 Å²	56.4	8%	0.082	31%	0.313	C	S	.	.			trans	-89	-161.1	-177.7	0	0	0	0	0	115.1	T1082 T1083 L1107 R1109 G1126	G1077-T1082 WeakPolarHBondContact CA-OG1 3.19Å; G1077-T1082 PolarHBondContact N-O 2.03Å; G1077-T1083 PolarHBondContact N-OG1 2.85Å; G1077-T1083 VanDerWaalsContact N-OG1 3.16Å; G1077-L1107 WeakPolarHBondContact O-CD1 3.5Å; G1077-R1109 PolarHBondContact O-NH2 3.32Å; G1077-G1126 WeakPolarHBondContact CA-O 3.32Å
1078	A	80.5	Confident	83.8	Confident	61 Å²	61	54 Å²	54	50%	0.504	31%	0.306	S	S	.	.	S	Bend	trans	-85.5	-26.2	177.9	0	0	0	0	0	114	T1082 A1105 L1107 G1126	A1078-T1082 PolarHBondContact N-OG1 3.11Å; A1078-A1105 HydrophobicContact CB-CB 3.67Å; A1078-L1107 HydrophobicContact CB-CD1 4Å; A1078-G1126 PolarHBondContact N-O 3.35Å
1079	S	81.5	Confident	83.7	Confident	57 Å²	57	54.8 Å²	54.8	40%	0.399	31%	0.314	S	S	.	.	S	Bend	trans	-132.5	169.3	176.7	76.7	0	0	0	0	111.1	A1081 T1082 T1083	S1079-A1081 PolarHBondContact O-N 3.4Å; S1079-A1081 PolarHBondContact OG-N 2.74Å; S1079-T1082 PolarHBondContact N-OG1 2.97Å; S1079-T1082 CarbonylContact O-C 3.48Å; S1079-T1082 PolarHBondContact O-N 2.72Å; S1079-T1082 VanDerWaalsContact O-N 3.07Å; S1079-T1082 PolarHBondContact O-OG1 2.67Å; S1079-T1082 PolarHBondContact OG-N 2.97Å; S1079-T1082 PolarHBondContact OG-OG1 2.79Å; S1079-T1083 PolarHBondContact O-N 3.04Å; S1079-T1083 VanDerWaalsContact O-N 3.11Å; S1079-T1083 PolarHBondContact O-OG1 2.75Å
1080	R	77.8	Confident	83.5	Confident	208 Å²	208	48.7 Å²	48.7	79%	0.785	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56	-39.6	173	-171.5	177.1	-179	-178.8	0.6	111.8	H1060 T1082 T1083	H1060-R1080 PolarHBondContact CE1-O 3.4Å; H1060-R1080 VanDerWaalsContact CE1-O 3.25Å; H1060-R1080 PolarHBondContact ND1-O 3.32Å; R1080-T1082 PolarHBondContact O-N 3.13Å; R1080-T1083 PolarHBondContact O-N 2.94Å
1081	A	77.7	Confident	83.2	Confident	54 Å²	54	47.7 Å²	47.7	45%	0.446	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-59.5	-34.3	177.3	0	0	0	0	0	112.8	S1079 V1084	S1079-A1081 PolarHBondContact O-N 3.4Å; S1079-A1081 PolarHBondContact OG-N 2.74Å; A1081-V1084 WeakPolarHBondContact O-CG1 3.22Å
1082	T	84.1	Confident	83.1	Confident	12 Å²	12	47.7 Å²	47.7	7%	0.074	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-91.3	-0.5	176.9	56.2	0	0	0	0	114.3	P1044 H1075 G1077 A1078 S1079 R1080 I1127	P1044-T1082 HydrophobicContact CB-CG2 4.33Å; H1075-T1082 PolarHBondContact CE1-O 2.8Å; H1075-T1082 PolarHBondContact ND1-O 2.91Å; G1077-T1082 WeakPolarHBondContact CA-OG1 3.19Å; G1077-T1082 PolarHBondContact N-O 2.03Å; A1078-T1082 PolarHBondContact N-OG1 3.11Å; S1079-T1082 PolarHBondContact N-OG1 2.97Å; S1079-T1082 CarbonylContact O-C 3.48Å; S1079-T1082 PolarHBondContact O-N 2.72Å; S1079-T1082 VanDerWaalsContact O-N 3.07Å; S1079-T1082 PolarHBondContact O-OG1 2.67Å; S1079-T1082 PolarHBondContact OG-N 2.97Å; S1079-T1082 PolarHBondContact OG-OG1 2.79Å; R1080-T1082 PolarHBondContact O-N 3.13Å; T1082-I1127 HydrophobicContact CG2-CG2 3.81Å
1083	T	87.3	Confident	82.9	Confident	21 Å²	21	44.6 Å²	44.6	13%	0.129	28%	0.281	C	S	.	.			trans	-103.8	98.3	179.4	-58	0	0	0	0	109.8	H1060 C1061 H1075 Y1076 G1077 S1079 R1080	H1060-T1083 PolarHBondContact ND1-O 3.48Å; C1061-T1083 VanDerWaalsContact O-CG2 3.29Å; C1061-T1083 WeakPolarHBondContact O-CG2 3.49Å; H1075-T1083 CarbonylContact O-C 3.39Å; H1075-T1083 VanDerWaalsContact O-CA 3.23Å; H1075-T1083 WeakPolarHBondContact O-CA 3.2Å; Y1076-T1083 HydrophobicContact CD1-CG2 3.94Å; Y1076-T1083 HydrophobicContact CE1-CG2 4.4Å; G1077-T1083 PolarHBondContact N-OG1 2.85Å; G1077-T1083 VanDerWaalsContact N-OG1 3.16Å; S1079-T1083 PolarHBondContact O-N 3.04Å; S1079-T1083 VanDerWaalsContact O-N 3.11Å; S1079-T1083 PolarHBondContact O-OG1 2.75Å; R1080-T1083 PolarHBondContact O-N 2.94Å
1084	V	88	Confident	82.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.5	-160.8	-58.9	0	0	0	0	112	P1044 P1050 V1058 H1059 C1061 H1075 A1081 C1086	P1044-V1084 HydrophobicContact CG-CG2 3.33Å; P1050-V1084 HydrophobicContact CB-CB 4.06Å; P1050-V1084 HydrophobicContact CB-CG2 3.8Å; P1050-V1084 HydrophobicContact CG-CG2 3.83Å; V1058-V1084 HydrophobicContact CG1-CB 3.9Å; V1058-V1084 HydrophobicContact CG1-CG1 3.5Å; H1059-V1084 WeakPolarHBondContact O-CA 3.41Å; C1061-V1084 PolarHBondContact SG-O 2.82Å; H1075-V1084 PolarHBondContact N-O 2.98Å; H1075-V1084 PolarHBondContact O-N 3.32Å; H1075-V1084 VanDerWaalsContact O-N 3.12Å; A1081-V1084 WeakPolarHBondContact O-CG1 3.22Å; V1084-C1086 PolarHBondContact O-N 2.03Å
1085	C	89.3	Confident	82.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	111.3	174.1	-68.3	0	0	0	0	111.8	P1050 A1051 H1059 C1068 W1073	P1050-C1085 CarbonylContact C-O 3.56Å; P1050-C1085 WeakPolarHBondContact CA-O 3.35Å; A1051-C1085 HydrophobicContact CB-CB 4Å; A1051-C1085 PolarHBondContact N-O 2.88Å; H1059-C1085 HydrophobicContact CB-CB 4.23Å; H1059-C1085 PolarHBondContact O-N 3.43Å; C1068-C1085 WeakPolarHBondContact CA-SG 3.48Å; C1068-C1085 HydrophobicContact CB-CB 3.79Å; C1068-C1085 WeakPolarHBondContact CB-SG 3.04Å; C1068-C1085 WeakPolarHBondContact SG-CA 3.31Å; C1068-C1085 WeakPolarHBondContact SG-CB 3.45Å; C1068-C1085 CovalentContact SG-SG 2.04Å; C1068-C1085 PolarHBondContact SG-SG 3.48Å; W1073-C1085 CarbonylContact O-C 3.03Å; W1073-C1085 WeakPolarHBondContact O-CA 2.99Å
1086	C	89.1	Confident	82.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	147.7	176.1	-66.9	0	0	0	0	111.6	C1045 Y1072 W1073 H1075 V1084	C1045-C1086 WeakPolarHBondContact CA-SG 3.48Å; C1045-C1086 HydrophobicContact CB-CB 3.75Å; C1045-C1086 WeakPolarHBondContact CB-SG 3.44Å; C1045-C1086 WeakPolarHBondContact SG-CA 3.21Å; C1045-C1086 WeakPolarHBondContact SG-CB 3.49Å; C1045-C1086 CovalentContact SG-SG 2.03Å; C1045-C1086 PolarHBondContact SG-SG 3.18Å; Y1072-C1086 CarbonylContact C-O 3.58Å; Y1072-C1086 VanDerWaalsContact CA-O 3.24Å; Y1072-C1086 WeakPolarHBondContact CA-O 3.48Å; Y1072-C1086 WeakPolarHBondContact CB-O 3.36Å; Y1072-C1086 VanDerWaalsContact CD1-C 3.4Å; Y1072-C1086 WeakPolarHBondContact CD1-O 3.11Å; W1073-C1086 HydrophobicContact CZ2-CB 4.17Å; W1073-C1086 PolarHBondContact N-O 3.23Å; W1073-C1086 PolarHBondContact O-N 2.79Å; H1075-C1086 HydrophobicContact CB-CB 4.27Å; H1075-C1086 WeakPolarHBondContact CB-SG 3.36Å; V1084-C1086 PolarHBondContact O-N 2.03Å
1087	P	85.5	Confident	82.6	Confident	34 Å²	34	53.1 Å²	53.1	22%	0.221	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	166.8	179.7	29.2	-34.5	0	0	0	112	Q1047 F1049 Y1072 W1073	Q1047-P1087 WeakPolarHBondContact O-CG 3.29Å; F1049-P1087 VanDerWaalsContact O-CD 3.28Å; F1049-P1087 WeakPolarHBondContact O-CD 3.33Å; Y1072-P1087 HydrophobicContact CD1-CB 4Å; Y1072-P1087 HydrophobicContact CE1-CB 3.67Å; Y1072-P1087 HydrophobicContact CE1-CG 4.26Å; W1073-P1087 PolarHBondContact NE1-O 2.79Å
1088	G	81.3	Confident	82.9	Confident	61 Å²	61	55.5 Å²	55.5	63%	0.629	34%	0.341	S	S	*	.			trans	86.1	42.3	173.9	0	0	0	0	0	113.9	G1071 S1090	G1071-G1088 PolarHBondContact O-N 2.83Å; G1071-G1088 VanDerWaalsContact O-N 3.08Å; G1088-S1090 PolarHBondContact O-N 2.03Å; G1088-S1090 VanDerWaalsContact O-N 3.1Å
1089	A	79.8	Confident	83.3	Confident	43 Å²	43	54 Å²	54	36%	0.355	33%	0.327	S	S	.	.			trans	-63.7	109	176.1	0	0	0	0	0	112	G1071 W1073	G1071-A1089 PolarHBondContact O-N 2.03Å; W1073-A1089 HydrophobicContact CB-CB 4.09Å
1090	S	76.6	Confident	83.5	Confident	43 Å²	43	57.5 Å²	57.5	30%	0.301	34%	0.335	S	S	.	.			trans	-71.1	143	171.7	-176.2	0	0	0	0	111.9	G1088 S1092	G1088-S1090 PolarHBondContact O-N 2.03Å; G1088-S1090 VanDerWaalsContact O-N 3.1Å; S1090-S1092 PolarHBondContact OG-N 2.75Å
1091	S	72.3	Confident	83.7	Confident	121 Å²	121	48.8 Å²	48.8	85%	0.846	31%	0.31	S	S	*	.	S	Bend	trans	-76.2	-7.1	167.4	57.7	0	0	0	0	113.5
1092	S	77.4	Confident	83.6	Confident	45 Å²	45	49.3 Å²	49.3	32%	0.315	31%	0.311	S	S	.	.			trans	-139.6	67.6	175.6	-72.2	0	0	0	0	112	S1090 C1094 K1095	S1090-S1092 PolarHBondContact OG-N 2.75Å; S1092-C1094 PolarHBondContact O-N 3.33Å; S1092-K1095 PolarHBondContact O-N 3.35Å; S1092-K1095 VanDerWaalsContact O-N 3.13Å
1093	P	82.7	Confident	83.4	Confident	26 Å²	26	51.2 Å²	51.2	17%	0.169	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-49.7	-42.7	178.2	-31	38.8	0	0	0	113.8	K1095 L1096 Q1131 N1132	P1093-K1095 PolarHBondContact O-N 3.08Å; P1093-L1096 WeakPolarHBondContact O-CB 3.17Å; P1093-L1096 WeakPolarHBondContact O-CG 3.05Å; P1093-L1096 PolarHBondContact O-N 2.93Å; P1093-Q1131 HydrophobicContact CB-CB 3.77Å; P1093-Q1131 HydrophobicContact CG-CB 4.22Å; P1093-N1132 WeakPolarHBondContact O-CB 3.32Å
1094	C	86.2	Confident	82.9	Confident	11 Å²	11	58 Å²	58	7%	0.074	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-65.2	-9.7	-175.9	-47.6	0	0	0	0	115	S1092 F1112 V1114 C1144	S1092-C1094 PolarHBondContact O-N 3.33Å; C1094-F1112 HydrophobicContact CB-CB 4.16Å; C1094-F1112 HydrophobicContact CB-CD1 3.98Å; C1094-F1112 HydrophobicContact CB-CG 4.28Å; C1094-V1114 WeakPolarHBondContact O-CG2 3.47Å; C1094-C1144 HydrophobicContact CB-CB 3.68Å; C1094-C1144 WeakPolarHBondContact CB-SG 3.03Å; C1094-C1144 WeakPolarHBondContact SG-CA 3.37Å; C1094-C1144 WeakPolarHBondContact SG-CB 3.05Å; C1094-C1144 CovalentContact SG-SG 2.03Å; C1094-C1144 PolarHBondContact SG-SG 2.75Å
1095	K	84.2	Confident	82.3	Confident	159 Å²	159	58.8 Å²	58.8	69%	0.691	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-100.5	-5	176.6	-62.8	-177.4	-177.7	174.6	0	113	S1092 P1093	S1092-K1095 PolarHBondContact O-N 3.35Å; S1092-K1095 VanDerWaalsContact O-N 3.13Å; P1093-K1095 PolarHBondContact O-N 3.08Å
1096	L	85	Confident	81.9	Confident	51 Å²	51	65.8 Å²	65.8	27%	0.267	41%	0.407	S	S	.	.	S	Bend	trans	-73.6	146.3	176.9	-58.4	174.4	0	0	0	110.2	P1093 N1130 Q1131 N1132	P1093-L1096 WeakPolarHBondContact O-CB 3.17Å; P1093-L1096 WeakPolarHBondContact O-CG 3.05Å; P1093-L1096 PolarHBondContact O-N 2.93Å; L1096-N1130 HydrophobicContact CD1-CB 4.39Å; L1096-Q1131 HydrophobicContact CD1-CB 3.94Å; L1096-N1132 HydrophobicContact CB-CB 4.16Å; L1096-N1132 PolarHBondContact O-ND2 3.1Å
1097	P	85.8	Confident	81.6	Confident	98 Å²	98	67.9 Å²	67.9	64%	0.636	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63	154.5	177.4	27.1	-35.4	0	0	0	111.8	S1099 N1130	P1097-S1099 PolarHBondContact O-N 2.84Å; P1097-N1130 PolarHBondContact O-ND2 2.03Å
1098	L	88	Confident	81.7	Confident	57 Å²	57	73 Å²	73	30%	0.298	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-56.4	132.9	171.1	170.6	61.2	0	0	0	110.5	F1100 Y1111 F1122	L1098-F1100 HydrophobicContact CD2-CE1 4.17Å; L1098-F1100 HydrophobicContact CD2-CE2 4.2Å; L1098-F1100 HydrophobicContact CD2-CZ 3.78Å; L1098-F1100 HydrophobicContact CG-CZ 4.46Å; L1098-Y1111 HydrophobicContact CB-CD2 4.06Å; L1098-Y1111 HydrophobicContact CB-CE2 4.03Å; L1098-Y1111 HydrophobicContact CB-CG 4.45Å; L1098-Y1111 HydrophobicContact CD1-CD1 3.72Å; L1098-Y1111 HydrophobicContact CD1-CD2 4.29Å; L1098-Y1111 HydrophobicContact CD1-CE1 4.08Å; L1098-Y1111 HydrophobicContact CD1-CG 3.82Å; L1098-Y1111 HydrophobicContact CD2-CD1 4.42Å; L1098-Y1111 HydrophobicContact CD2-CE1 3.93Å; L1098-Y1111 HydrophobicContact CD2-CE2 4.42Å; L1098-Y1111 HydrophobicContact CG-CE1 4.48Å; L1098-F1122 HydrophobicContact CD1-CB 4.2Å; L1098-F1122 HydrophobicContact CD1-CD1 3.88Å; L1098-F1122 HydrophobicContact CD1-CD2 3.65Å; L1098-F1122 HydrophobicContact CD1-CE1 4.07Å; L1098-F1122 HydrophobicContact CD1-CE2 3.86Å; L1098-F1122 HydrophobicContact CD1-CG 3.65Å; L1098-F1122 HydrophobicContact CD1-CZ 4.05Å
1099	S	89.4	Confident	82.2	Confident	31 Å²	31	71.1 Å²	71.1	22%	0.217	41%	0.413	C	S	.	.			trans	-127.8	114.8	170.7	177.4	0	0	0	0	111	P1097 G1101 F1122	P1097-S1099 PolarHBondContact O-N 2.84Å; S1099-G1101 PolarHBondContact O-N 2.9Å; S1099-G1101 PolarHBondContact OG-N 2.91Å; S1099-F1122 VanDerWaalsContact O-CE2 3.26Å; S1099-F1122 WeakPolarHBondContact O-CE2 3.4Å
1100	F	85.5	Confident	82.8	Confident	130 Å²	130	71 Å²	71	57%	0.57	40%	0.404	S	S	*	.			trans	-64.4	-15.7	171.9	-61	-78.3	0	0	0	113.1	L1098 F1122 Y1124 G1125	L1098-F1100 HydrophobicContact CD2-CE1 4.17Å; L1098-F1100 HydrophobicContact CD2-CE2 4.2Å; L1098-F1100 HydrophobicContact CD2-CZ 3.78Å; L1098-F1100 HydrophobicContact CG-CZ 4.46Å; F1100-F1122 HydrophobicContact CD1-CD2 4.23Å; F1100-Y1124 VanDerWaalsContact O-CD2 3.24Å; F1100-Y1124 WeakPolarHBondContact O-CD2 3.29Å; F1100-G1125 PolarHBondContact O-N 3.32Å
1101	G	82.6	Confident	83.5	Confident	24 Å²	24	71 Å²	71	25%	0.247	40%	0.398	C	S	.	.			trans	71.5	-162.9	-173.7	0	0	0	0	0	113.4	S1099 I1127	S1099-G1101 PolarHBondContact O-N 2.9Å; S1099-G1101 PolarHBondContact OG-N 2.91Å; G1101-I1127 CarbonylContact C-O 3.49Å; G1101-I1127 WeakPolarHBondContact CA-O 3.41Å
1102	S	76.5	Confident	84.2	Confident	66 Å²	66	65.9 Å²	65.9	46%	0.462	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-127.7	172.8	168.8	-64.4	0	0	0	0	109.8	G1125 I1127	S1102-G1125 CarbonylContact O-C 3.58Å; S1102-G1125 WeakPolarHBondContact O-CA 3.41Å; S1102-G1125 VanDerWaalsContact O-O 3.1Å; S1102-I1127 VanDerWaalsContact C-CG1 3.49Å; S1102-I1127 PolarHBondContact N-O 2.95Å; S1102-I1127 WeakPolarHBondContact O-CG1 3.21Å; S1102-I1127 PolarHBondContact O-N 3.29Å
1103	G	79.2	Confident	84.6	Confident	51 Å²	51	65.3 Å²	65.3	53%	0.526	35%	0.354	S	S	.	.	S	Bend	trans	102	175.7	-175.4	0	0	0	0	0	112.7	G1125	G1103-G1125 CarbonylContact C-O 3.35Å; G1103-G1125 VanDerWaalsContact C-O 3.28Å; G1103-G1125 WeakPolarHBondContact CA-O 3.49Å
1104	N	77.1	Confident	84.3	Confident	163 Å²	163	68 Å²	68	87%	0.872	37%	0.37	S	S	*	.	S	Bend	trans	-107.8	6.6	-173.6	57.4	-13.6	0	0	0	113.4
1105	A	75.5	Confident	83.8	Confident	19 Å²	19	72.7 Å²	72.7	16%	0.157	40%	0.403	C	S	.	.			trans	-73.9	155.8	170.5	0	0	0	0	0	110.5	A1078 L1107 G1125	A1078-A1105 HydrophobicContact CB-CB 3.67Å; A1105-L1107 HydrophobicContact CB-CD1 4.2Å; A1105-L1107 HydrophobicContact CB-CD2 4.34Å; A1105-L1107 HydrophobicContact CB-CG 3.88Å; A1105-G1125 VanDerWaalsContact CB-O 3.32Å; A1105-G1125 WeakPolarHBondContact CB-O 3.22Å; A1105-G1125 PolarHBondContact N-O 3.21Å; A1105-G1125 VanDerWaalsContact N-O 3.07Å; A1105-G1125 WeakPolarHBondContact O-CA 3.35Å
1106	Q	79.5	Confident	83.5	Confident	147 Å²	147	67.5 Å²	67.5	69%	0.687	39%	0.387	S	S	*	.			trans	-124.2	61.4	176.1	-70.6	-65.8	-65.8	0	0	108.9	Q1108	Q1106-Q1108 PolarHBondContact O-N 3.32Å
1107	L	83.7	Confident	82.8	Confident	46 Å²	46	68.2 Å²	68.2	24%	0.241	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.6	-174.9	-55	171.9	0	0	0	109	G1077 A1078 A1105 R1109 Y1124	G1077-L1107 WeakPolarHBondContact O-CD1 3.5Å; A1078-L1107 HydrophobicContact CB-CD1 4Å; A1105-L1107 HydrophobicContact CB-CD1 4.2Å; A1105-L1107 HydrophobicContact CB-CD2 4.34Å; A1105-L1107 HydrophobicContact CB-CG 3.88Å; L1107-R1109 HydrophobicContact CB-CG 4.44Å; L1107-R1109 PolarHBondContact O-N 3.42Å; L1107-Y1124 HydrophobicContact CD1-CD1 4.15Å; L1107-Y1124 PolarHBondContact N-O 3.31Å; L1107-Y1124 WeakPolarHBondContact O-CB 3.49Å; L1107-Y1124 PolarHBondContact O-N 3.01Å
1108	Q	86.7	Confident	82.4	Confident	140 Å²	140	68.9 Å²	68.9	65%	0.654	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	126.8	171	-70.7	-175.4	-15.8	0	0	109.6	Q1106 M1121	Q1106-Q1108 PolarHBondContact O-N 3.32Å; Q1108-M1121 HydrophobicContact CB-SD 4.23Å; Q1108-M1121 HydrophobicContact CG-SD 4.14Å
1109	R	91.8	Very high	82.4	Confident	23 Å²	23	66.6 Å²	66.6	9%	0.087	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	165.2	-177.8	-64.9	-64.3	176.6	75.7	1.3	109.8	Y1076 G1077 L1107 M1121 F1122 Y1124 N1133 F1134	Y1076-R1109 PolarHBondContact O-NH1 2.78Å; Y1076-R1109 PolarHBondContact O-NH2 2.8Å; G1077-R1109 PolarHBondContact O-NH2 3.32Å; L1107-R1109 HydrophobicContact CB-CG 4.44Å; L1107-R1109 PolarHBondContact O-N 3.42Å; R1109-M1121 CarbonylContact O-C 3.38Å; R1109-M1121 VanDerWaalsContact O-CA 3.3Å; R1109-M1121 WeakPolarHBondContact O-CA 3.47Å; R1109-F1122 HydrophobicContact CB-CD1 4.1Å; R1109-F1122 HydrophobicContact CB-CE1 3.59Å; R1109-F1122 HydrophobicContact CB-CZ 3.86Å; R1109-F1122 PolarHBondContact N-O 3.18Å; R1109-F1122 WeakPolarHBondContact O-CD1 3.27Å; R1109-F1122 PolarHBondContact O-N 3.3Å; R1109-Y1124 HydrophobicContact CG-CD1 4.28Å; R1109-Y1124 HydrophobicContact CG-CG 4.31Å; R1109-N1133 WeakPolarHBondContact CB-OD1 3.36Å; R1109-N1133 WeakPolarHBondContact CD-OD1 3.04Å; R1109-N1133 VanDerWaalsContact CG-OD1 3.25Å; R1109-N1133 WeakPolarHBondContact CG-OD1 3.45Å; R1109-N1133 PolarHBondContact NH1-OD1 2.87Å; R1109-F1134 WeakPolarHBondContact CA-O 3.39Å; R1109-F1134 WeakPolarHBondContact CD-O 3.14Å
1110	F	92.1	Very high	82.3	Confident	40 Å²	40	68.1 Å²	68.1	18%	0.175	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.7	178.5	-67.4	-96.6	0	0	0	110.8	L1120 M1121 F1134 S1136 K1137 C1140	F1110-L1120 CarbonylContact C-O 3.28Å; F1110-L1120 VanDerWaalsContact CA-O 3.27Å; F1110-L1120 WeakPolarHBondContact CA-O 3.4Å; F1110-M1121 HydrophobicContact CD1-CB 4.06Å; F1110-M1121 HydrophobicContact CE1-CB 3.68Å; F1110-M1121 HydrophobicContact CE1-CG 4.26Å; F1110-M1121 HydrophobicContact CZ-CB 4.06Å; F1110-M1121 HydrophobicContact CZ-CG 4.14Å; F1110-M1121 HydrophobicContact CZ-SD 4.36Å; F1110-F1134 HydrophobicContact CB-CB 4.48Å; F1110-F1134 PolarHBondContact N-O 3.44Å; F1110-F1134 WeakPolarHBondContact O-CD2 3.07Å; F1110-F1134 PolarHBondContact O-N 2.77Å; F1110-S1136 VanDerWaalsContact CD2-C 3.43Å; F1110-K1137 HydrophobicContact CD1-CB 3.8Å; F1110-K1137 HydrophobicContact CD1-CG 4.3Å; F1110-K1137 HydrophobicContact CD2-CB 4.36Å; F1110-K1137 VanDerWaalsContact CD2-N 3.32Å; F1110-K1137 HydrophobicContact CE1-CB 3.71Å; F1110-K1137 HydrophobicContact CE1-CD 4.44Å; F1110-K1137 HydrophobicContact CE1-CG 4.29Å; F1110-K1137 HydrophobicContact CE2-CB 4.29Å; F1110-K1137 HydrophobicContact CG-CB 4.14Å; F1110-K1137 HydrophobicContact CZ-CB 3.97Å; F1110-C1140 HydrophobicContact CB-CB 4.17Å
1111	Y	91.5	Very high	82.5	Confident	43 Å²	43	67 Å²	67	17%	0.169	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.2	171.7	79.8	-78.4	0	0	0	109.6	L1098 D1113 C1119 L1120 F1122 N1132	L1098-Y1111 HydrophobicContact CB-CD2 4.06Å; L1098-Y1111 HydrophobicContact CB-CE2 4.03Å; L1098-Y1111 HydrophobicContact CB-CG 4.45Å; L1098-Y1111 HydrophobicContact CD1-CD1 3.72Å; L1098-Y1111 HydrophobicContact CD1-CD2 4.29Å; L1098-Y1111 HydrophobicContact CD1-CE1 4.08Å; L1098-Y1111 HydrophobicContact CD1-CG 3.82Å; L1098-Y1111 HydrophobicContact CD2-CD1 4.42Å; L1098-Y1111 HydrophobicContact CD2-CE1 3.93Å; L1098-Y1111 HydrophobicContact CD2-CE2 4.42Å; L1098-Y1111 HydrophobicContact CG-CE1 4.48Å; Y1111-D1113 HydrophobicContact CE2-CB 3.81Å; Y1111-C1119 CarbonylContact O-C 3.54Å; Y1111-C1119 VanDerWaalsContact O-CA 3.31Å; Y1111-C1119 WeakPolarHBondContact O-CA 3.17Å; Y1111-L1120 HydrophobicContact CD1-CB 4.16Å; Y1111-L1120 VanDerWaalsContact CD1-O 3.27Å; Y1111-L1120 WeakPolarHBondContact CD1-O 3.49Å; Y1111-L1120 HydrophobicContact CE1-CB 3.63Å; Y1111-L1120 PolarHBondContact N-O 2.89Å; Y1111-L1120 PolarHBondContact O-N 3.45Å; Y1111-F1122 HydrophobicContact CD1-CB 4.43Å; Y1111-F1122 AromaticContact CD1-CD1 3.78Å; Y1111-F1122 HydrophobicContact CD1-CD1 3.78Å; Y1111-F1122 HydrophobicContact CD1-CE1 4.42Å; Y1111-F1122 HydrophobicContact CD1-CG 4.37Å; Y1111-F1122 HydrophobicContact CG-CD1 4.43Å; Y1111-N1132 WeakPolarHBondContact CB-O 3.4Å
1112	F	88.1	Confident	83	Confident	13 Å²	13	66.6 Å²	66.6	6%	0.057	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.7	173	-170.5	-102.3	0	0	0	109.6	C1094 V1114 Q1117 N1132 C1144 I1145 V1148	C1094-F1112 HydrophobicContact CB-CB 4.16Å; C1094-F1112 HydrophobicContact CB-CD1 3.98Å; C1094-F1112 HydrophobicContact CB-CG 4.28Å; F1112-V1114 HydrophobicContact CD1-CG2 4.15Å; F1112-V1114 HydrophobicContact CE1-CG2 4.27Å; F1112-Q1117 HydrophobicContact CZ-CB 4.26Å; F1112-N1132 PolarHBondContact N-OD1 3.41Å; F1112-N1132 PolarHBondContact O-ND2 2.04Å; F1112-C1144 HydrophobicContact CB-CB 3.87Å; F1112-C1144 HydrophobicContact CD1-CB 4.13Å; F1112-C1144 HydrophobicContact CD2-CB 3.5Å; F1112-C1144 HydrophobicContact CE2-CB 4.01Å; F1112-C1144 HydrophobicContact CG-CB 3.56Å; F1112-I1145 HydrophobicContact CE2-CG1 4.18Å; F1112-V1148 HydrophobicContact CZ-CG2 4.09Å
1113	D	84.7	Confident	83.4	Confident	33 Å²	33	65.6 Å²	65.6	18%	0.176	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.3	167.6	166.6	36.2	0	0	0	109.5	Y1111 S1115 S1116 Q1117 K1118 L1120	Y1111-D1113 HydrophobicContact CE2-CB 3.81Å; D1113-S1115 VanDerWaalsContact CG-OG 3.23Å; D1113-S1115 PolarHBondContact O-N 3.44Å; D1113-S1115 WeakPolarHBondContact OD1-CB 3.24Å; D1113-S1115 PolarHBondContact OD1-N 2.75Å; D1113-S1115 PolarHBondContact OD1-OG 2.77Å; D1113-S1115 PolarHBondContact OD2-OG 2.99Å; D1113-S1116 WeakPolarHBondContact OD2-CB 3.26Å; D1113-S1116 PolarHBondContact OD2-N 2.93Å; D1113-S1116 PolarHBondContact OD2-OG 3.41Å; D1113-Q1117 VanDerWaalsContact O-CA 3.22Å; D1113-Q1117 WeakPolarHBondContact O-CA 3.38Å; D1113-Q1117 PolarHBondContact O-N 2.88Å; D1113-K1118 PolarHBondContact N-O 2.74Å; D1113-K1118 PolarHBondContact O-N 2.87Å; D1113-L1120 HydrophobicContact CB-CD1 3.94Å; D1113-L1120 HydrophobicContact CB-CG 4.5Å
1114	V	76.8	Confident	84	Confident	83 Å²	83	63.2 Å²	63.2	50%	0.503	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.1	179.6	-178.7	0	0	0	0	111.9	C1094 F1112 Q1117	C1094-V1114 WeakPolarHBondContact O-CG2 3.47Å; F1112-V1114 HydrophobicContact CD1-CG2 4.15Å; F1112-V1114 HydrophobicContact CE1-CG2 4.27Å; V1114-Q1117 WeakPolarHBondContact O-CG 3.2Å
1115	S	75.7	Confident	84.3	Confident	109 Å²	109	55.8 Å²	55.8	76%	0.762	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-42	-174.6	70.8	0	0	0	0	113.1	D1113	D1113-S1115 VanDerWaalsContact CG-OG 3.23Å; D1113-S1115 PolarHBondContact O-N 3.44Å; D1113-S1115 WeakPolarHBondContact OD1-CB 3.24Å; D1113-S1115 PolarHBondContact OD1-N 2.75Å; D1113-S1115 PolarHBondContact OD1-OG 2.77Å; D1113-S1115 PolarHBondContact OD2-OG 2.99Å
1116	S	79.1	Confident	84.7	Confident	51 Å²	51	55 Å²	55	36%	0.357	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.7	171.6	68	0	0	0	0	114.6	D1113 K1118	D1113-S1116 WeakPolarHBondContact OD2-CB 3.26Å; D1113-S1116 PolarHBondContact OD2-N 2.93Å; D1113-S1116 PolarHBondContact OD2-OG 3.41Å; S1116-K1118 VanDerWaalsContact C-N 3.26Å; S1116-K1118 PolarHBondContact O-N 2.8Å
1117	Q	68.8	Low	85.2	Confident	66 Å²	66	50.2 Å²	50.2	31%	0.308	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	37	-172.9	-60.9	-169	-8	0	0	114.1	F1112 D1113 V1114	F1112-Q1117 HydrophobicContact CZ-CB 4.26Å; D1113-Q1117 VanDerWaalsContact O-CA 3.22Å; D1113-Q1117 WeakPolarHBondContact O-CA 3.38Å; D1113-Q1117 PolarHBondContact O-N 2.88Å; V1114-Q1117 WeakPolarHBondContact O-CG 3.2Å
1118	K	79.1	Confident	85.3	Confident	112 Å²	112	51.5 Å²	51.5	49%	0.487	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.4	-177.9	-72.6	173.1	-177.4	178.8	0	111.6	D1113 S1116 L1120	D1113-K1118 PolarHBondContact N-O 2.74Å; D1113-K1118 PolarHBondContact O-N 2.87Å; S1116-K1118 VanDerWaalsContact C-N 3.26Å; S1116-K1118 PolarHBondContact O-N 2.8Å; K1118-L1120 HydrophobicContact CB-CD2 4.04Å; K1118-L1120 HydrophobicContact CB-CG 4.37Å; K1118-L1120 PolarHBondContact O-N 2.85Å
1119	C	86	Confident	85.2	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	107.6	165.2	-71.9	0	0	0	0	109.4	Y1111 K1137 C1140 E1141	Y1111-C1119 CarbonylContact O-C 3.54Å; Y1111-C1119 VanDerWaalsContact O-CA 3.31Å; Y1111-C1119 WeakPolarHBondContact O-CA 3.17Å; C1119-K1137 HydrophobicContact CB-CG 4.27Å; C1119-C1140 HydrophobicContact CB-CB 3.72Å; C1119-C1140 WeakPolarHBondContact CB-SG 3.38Å; C1119-C1140 WeakPolarHBondContact SG-CB 3.25Å; C1119-C1140 CovalentContact SG-SG 2.03Å; C1119-C1140 PolarHBondContact SG-SG 3.13Å; C1119-E1141 HydrophobicContact CB-CG 3.9Å; C1119-E1141 VanDerWaalsContact SG-CG 3.57Å; C1119-E1141 PolarHBondContact SG-N 3.44Å; C1119-E1141 VanDerWaalsContact SG-N 3.42Å
1120	L	88.8	Confident	85.1	Confident	62 Å²	62	45.2 Å²	45.2	33%	0.325	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.6	-177.5	-60.6	179.4	0	0	0	110.4	F1110 Y1111 D1113 K1118	F1110-L1120 CarbonylContact C-O 3.28Å; F1110-L1120 VanDerWaalsContact CA-O 3.27Å; F1110-L1120 WeakPolarHBondContact CA-O 3.4Å; Y1111-L1120 HydrophobicContact CD1-CB 4.16Å; Y1111-L1120 VanDerWaalsContact CD1-O 3.27Å; Y1111-L1120 WeakPolarHBondContact CD1-O 3.49Å; Y1111-L1120 HydrophobicContact CE1-CB 3.63Å; Y1111-L1120 PolarHBondContact N-O 2.89Å; Y1111-L1120 PolarHBondContact O-N 3.45Å; D1113-L1120 HydrophobicContact CB-CD1 3.94Å; D1113-L1120 HydrophobicContact CB-CG 4.5Å; K1118-L1120 HydrophobicContact CB-CD2 4.04Å; K1118-L1120 HydrophobicContact CB-CG 4.37Å; K1118-L1120 PolarHBondContact O-N 2.85Å
1121	M	89.9	Confident	85	Confident	107 Å²	107	44.6 Å²	44.6	53%	0.527	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	143.1	179.1	-173.5	178.5	62.7	0	0	111.3	Q1108 R1109 F1110	Q1108-M1121 HydrophobicContact CB-SD 4.23Å; Q1108-M1121 HydrophobicContact CG-SD 4.14Å; R1109-M1121 CarbonylContact O-C 3.38Å; R1109-M1121 VanDerWaalsContact O-CA 3.3Å; R1109-M1121 WeakPolarHBondContact O-CA 3.47Å; F1110-M1121 HydrophobicContact CD1-CB 4.06Å; F1110-M1121 HydrophobicContact CE1-CB 3.68Å; F1110-M1121 HydrophobicContact CE1-CG 4.26Å; F1110-M1121 HydrophobicContact CZ-CB 4.06Å; F1110-M1121 HydrophobicContact CZ-CG 4.14Å; F1110-M1121 HydrophobicContact CZ-SD 4.36Å
1122	F	91.9	Very high	84.9	Confident	16 Å²	16	42.6 Å²	42.6	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163.3	170.8	75.9	-75.3	0	0	0	111.6	L1098 S1099 F1100 R1109 Y1111 Y1124 N1133	L1098-F1122 HydrophobicContact CD1-CB 4.2Å; L1098-F1122 HydrophobicContact CD1-CD1 3.88Å; L1098-F1122 HydrophobicContact CD1-CD2 3.65Å; L1098-F1122 HydrophobicContact CD1-CE1 4.07Å; L1098-F1122 HydrophobicContact CD1-CE2 3.86Å; L1098-F1122 HydrophobicContact CD1-CG 3.65Å; L1098-F1122 HydrophobicContact CD1-CZ 4.05Å; S1099-F1122 VanDerWaalsContact O-CE2 3.26Å; S1099-F1122 WeakPolarHBondContact O-CE2 3.4Å; F1100-F1122 HydrophobicContact CD1-CD2 4.23Å; R1109-F1122 HydrophobicContact CB-CD1 4.1Å; R1109-F1122 HydrophobicContact CB-CE1 3.59Å; R1109-F1122 HydrophobicContact CB-CZ 3.86Å; R1109-F1122 PolarHBondContact N-O 3.18Å; R1109-F1122 WeakPolarHBondContact O-CD1 3.27Å; R1109-F1122 PolarHBondContact O-N 3.3Å; Y1111-F1122 HydrophobicContact CD1-CB 4.43Å; Y1111-F1122 AromaticContact CD1-CD1 3.78Å; Y1111-F1122 HydrophobicContact CD1-CD1 3.78Å; Y1111-F1122 HydrophobicContact CD1-CE1 4.42Å; Y1111-F1122 HydrophobicContact CD1-CG 4.37Å; Y1111-F1122 HydrophobicContact CG-CD1 4.43Å; F1122-Y1124 HydrophobicContact CE2-CD2 4.02Å; F1122-Y1124 HydrophobicContact CE2-CG 4.28Å; F1122-Y1124 HydrophobicContact CZ-CD2 4.47Å; F1122-N1133 HydrophobicContact CZ-CB 4.19Å
1123	A	86.4	Confident	85	Confident	44 Å²	44	42.8 Å²	42.8	36%	0.364	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.6	172.7	0	0	0	0	0	110.3
1124	Y	90.3	Very high	85.2	Confident	1 Å²	1	42 Å²	42	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.2	-174.9	177.8	-119.5	0	0	0	112	H1075 Y1076 F1100 L1107 R1109 F1122 G1126 I1127 G1129 N1133	H1075-Y1124 AromaticContact NE2-CZ 3.95Å; H1075-Y1124 PolarHBondContact NE2-OH 3.33Å; Y1076-Y1124 WeakPolarHBondContact O-CE1 3.3Å; F1100-Y1124 VanDerWaalsContact O-CD2 3.24Å; F1100-Y1124 WeakPolarHBondContact O-CD2 3.29Å; L1107-Y1124 HydrophobicContact CD1-CD1 4.15Å; L1107-Y1124 PolarHBondContact N-O 3.31Å; L1107-Y1124 WeakPolarHBondContact O-CB 3.49Å; L1107-Y1124 PolarHBondContact O-N 3.01Å; R1109-Y1124 HydrophobicContact CG-CD1 4.28Å; R1109-Y1124 HydrophobicContact CG-CG 4.31Å; F1122-Y1124 HydrophobicContact CE2-CD2 4.02Å; F1122-Y1124 HydrophobicContact CE2-CG 4.28Å; F1122-Y1124 HydrophobicContact CZ-CD2 4.47Å; Y1124-G1126 PolarHBondContact O-N 2.94Å; Y1124-I1127 WeakPolarHBondContact OH-CA 3.26Å; Y1124-I1127 PolarHBondContact OH-O 2.84Å; Y1124-G1129 VanDerWaalsContact OH-CA 3.3Å; Y1124-G1129 WeakPolarHBondContact OH-CA 3.28Å; Y1124-G1129 PolarHBondContact OH-N 3.42Å; Y1124-N1133 WeakPolarHBondContact CD1-ND2 3.49Å; Y1124-N1133 WeakPolarHBondContact CD2-ND2 3.39Å; Y1124-N1133 VanDerWaalsContact CE2-ND2 3.33Å; Y1124-N1133 WeakPolarHBondContact CE2-ND2 3.41Å; Y1124-N1133 VanDerWaalsContact CG-ND2 3.3Å
1125	G	83.8	Confident	85.5	Confident	8 Å²	8	40.9 Å²	40.9	8%	0.082	23%	0.227	C	C	.	.			trans	-65.5	-15.7	-174.8	0	0	0	0	0	116	F1100 S1102 G1103 A1105	F1100-G1125 PolarHBondContact O-N 3.32Å; S1102-G1125 CarbonylContact O-C 3.58Å; S1102-G1125 WeakPolarHBondContact O-CA 3.41Å; S1102-G1125 VanDerWaalsContact O-O 3.1Å; G1103-G1125 CarbonylContact C-O 3.35Å; G1103-G1125 VanDerWaalsContact C-O 3.28Å; G1103-G1125 WeakPolarHBondContact CA-O 3.49Å; A1105-G1125 VanDerWaalsContact CB-O 3.32Å; A1105-G1125 WeakPolarHBondContact CB-O 3.22Å; A1105-G1125 PolarHBondContact N-O 3.21Å; A1105-G1125 VanDerWaalsContact N-O 3.07Å; A1105-G1125 WeakPolarHBondContact O-CA 3.35Å
1126	G	84.8	Confident	86	Confident	1 Å²	1	37 Å²	37	1%	0.01	20%	0.2	C	C	.	.	S	Bend	trans	100.6	-15.2	174.9	0	0	0	0	0	115.8	G1077 A1078 Y1124	G1077-G1126 WeakPolarHBondContact CA-O 3.32Å; A1078-G1126 PolarHBondContact N-O 3.35Å; Y1124-G1126 PolarHBondContact O-N 2.94Å
1127	I	88.7	Confident	86.1	Confident	48 Å²	48	38.5 Å²	38.5	25%	0.246	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-138.8	167.4	172.1	58.6	168.6	0	0	0	111.5	P1044 T1082 G1101 S1102 Y1124 G1129	P1044-I1127 HydrophobicContact CB-CB 4.29Å; P1044-I1127 HydrophobicContact CB-CG2 3.78Å; T1082-I1127 HydrophobicContact CG2-CG2 3.81Å; G1101-I1127 CarbonylContact C-O 3.49Å; G1101-I1127 WeakPolarHBondContact CA-O 3.41Å; S1102-I1127 VanDerWaalsContact C-CG1 3.49Å; S1102-I1127 PolarHBondContact N-O 2.95Å; S1102-I1127 WeakPolarHBondContact O-CG1 3.21Å; S1102-I1127 PolarHBondContact O-N 3.29Å; Y1124-I1127 WeakPolarHBondContact OH-CA 3.26Å; Y1124-I1127 PolarHBondContact OH-O 2.84Å; I1127-G1129 VanDerWaalsContact C-N 3.26Å; I1127-G1129 PolarHBondContact O-N 3.11Å
1128	K	86.7	Confident	86.4	Confident	73 Å²	73	41 Å²	41	32%	0.317	21%	0.212	S	C	.	.	S	Bend	trans	61.2	23.7	172.8	-52.5	-63.8	178.4	-179.6	0	115.5	N1043 P1044 C1045	N1043-K1128 WeakPolarHBondContact O-CE 3.29Å; N1043-K1128 PolarHBondContact O-NZ 3.37Å; P1044-K1128 WeakPolarHBondContact O-CA 3.31Å; P1044-K1128 PolarHBondContact O-N 3.17Å; C1045-K1128 WeakPolarHBondContact O-CD 3.34Å; C1045-K1128 WeakPolarHBondContact O-CE 2.98Å; C1045-K1128 PolarHBondContact O-NZ 2.89Å
1129	G	85	Confident	86.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.			trans	-76.3	177.5	170.7	0	0	0	0	0	114	S1046 Y1124 I1127	S1046-G1129 VanDerWaalsContact CB-O 3.29Å; S1046-G1129 WeakPolarHBondContact CB-O 3.28Å; S1046-G1129 PolarHBondContact OG-O 3.39Å; Y1124-G1129 VanDerWaalsContact OH-CA 3.3Å; Y1124-G1129 WeakPolarHBondContact OH-CA 3.28Å; Y1124-G1129 PolarHBondContact OH-N 3.42Å; I1127-G1129 VanDerWaalsContact C-N 3.26Å; I1127-G1129 PolarHBondContact O-N 3.11Å
1130	N	88.7	Confident	86.3	Confident	30 Å²	30	39 Å²	39	16%	0.16	20%	0.204	C	C	.	.			trans	-118.1	-173.7	171	68.7	26.9	0	0	0	110.5	W1073 L1096 P1097 N1132 N1133	W1073-N1130 VanDerWaalsContact CH2-C 3.47Å; L1096-N1130 HydrophobicContact CD1-CB 4.39Å; P1097-N1130 PolarHBondContact O-ND2 2.03Å; N1130-N1132 VanDerWaalsContact C-N 3.34Å; N1130-N1132 PolarHBondContact O-N 2.83Å; N1130-N1132 PolarHBondContact OD1-N 3.11Å; N1130-N1133 WeakPolarHBondContact O-CB 3.49Å
1131	Q	89.6	Confident	85.7	Confident	27 Å²	27	37.7 Å²	37.7	13%	0.126	20%	0.197	C	C	.	.	S	Bend	trans	-76.8	-9.9	-175.6	-61.7	168.2	-74.3	0	0	115.2	W1073 P1093 L1096 N1133	W1073-Q1131 HydrophobicContact CB-CG 4.03Å; W1073-Q1131 HydrophobicContact CD2-CG 3.29Å; W1073-Q1131 HydrophobicContact CE3-CB 4.34Å; W1073-Q1131 HydrophobicContact CE3-CG 3.47Å; W1073-Q1131 VanDerWaalsContact CE3-CG 3.47Å; W1073-Q1131 HydrophobicContact CG-CG 3.54Å; W1073-Q1131 HydrophobicContact CH2-CG 4.42Å; W1073-Q1131 HydrophobicContact CZ2-CG 4.3Å; W1073-Q1131 HydrophobicContact CZ3-CG 4.03Å; P1093-Q1131 HydrophobicContact CB-CB 3.77Å; P1093-Q1131 HydrophobicContact CG-CB 4.22Å; L1096-Q1131 HydrophobicContact CD1-CB 3.94Å; Q1131-N1133 PolarHBondContact O-N 2.94Å
1132	N	91	Very high	84.8	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.011	20%	0.199	C	C	.	.	S	Bend	trans	-83.3	52.1	172.7	-159.4	3.5	0	0	0	110	P1093 L1096 Y1111 F1112 N1130 F1134	P1093-N1132 WeakPolarHBondContact O-CB 3.32Å; L1096-N1132 HydrophobicContact CB-CB 4.16Å; L1096-N1132 PolarHBondContact O-ND2 3.1Å; Y1111-N1132 WeakPolarHBondContact CB-O 3.4Å; F1112-N1132 PolarHBondContact N-OD1 3.41Å; F1112-N1132 PolarHBondContact O-ND2 2.04Å; N1130-N1132 VanDerWaalsContact C-N 3.34Å; N1130-N1132 PolarHBondContact O-N 2.83Å; N1130-N1132 PolarHBondContact OD1-N 3.11Å; N1132-F1134 WeakPolarHBondContact OD1-CE2 3.48Å
1133	N	90.1	Very high	83.9	Confident	16 Å²	16	40.6 Å²	40.6	9%	0.086	21%	0.214	C	C	.	.			trans	-145.7	94.5	-172.7	-178.3	-30.5	0	0	0	108	R1109 F1122 Y1124 N1130 Q1131	R1109-N1133 WeakPolarHBondContact CB-OD1 3.36Å; R1109-N1133 WeakPolarHBondContact CD-OD1 3.04Å; R1109-N1133 VanDerWaalsContact CG-OD1 3.25Å; R1109-N1133 WeakPolarHBondContact CG-OD1 3.45Å; R1109-N1133 PolarHBondContact NH1-OD1 2.87Å; F1122-N1133 HydrophobicContact CZ-CB 4.19Å; Y1124-N1133 WeakPolarHBondContact CD1-ND2 3.49Å; Y1124-N1133 WeakPolarHBondContact CD2-ND2 3.39Å; Y1124-N1133 VanDerWaalsContact CE2-ND2 3.33Å; Y1124-N1133 WeakPolarHBondContact CE2-ND2 3.41Å; Y1124-N1133 VanDerWaalsContact CG-ND2 3.3Å; N1130-N1133 WeakPolarHBondContact O-CB 3.49Å; Q1131-N1133 PolarHBondContact O-N 2.94Å
1134	F	88.1	Confident	83.5	Confident	17 Å²	17	38.5 Å²	38.5	8%	0.075	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-104.1	142.5	-175	-58.2	-78.6	0	0	0	110.6	R1109 F1110 N1132 S1136 I1139 C1140 T1143 C1144	R1109-F1134 WeakPolarHBondContact CA-O 3.39Å; R1109-F1134 WeakPolarHBondContact CD-O 3.14Å; F1110-F1134 HydrophobicContact CB-CB 4.48Å; F1110-F1134 PolarHBondContact N-O 3.44Å; F1110-F1134 WeakPolarHBondContact O-CD2 3.07Å; F1110-F1134 PolarHBondContact O-N 2.77Å; N1132-F1134 WeakPolarHBondContact OD1-CE2 3.48Å; F1134-S1136 VanDerWaalsContact C-N 3.29Å; F1134-S1136 PolarHBondContact O-N 2.85Å; F1134-I1139 HydrophobicContact CD1-CG2 4.16Å; F1134-C1140 HydrophobicContact CB-CB 3.69Å; F1134-C1140 HydrophobicContact CD1-CB 4.44Å; F1134-C1140 HydrophobicContact CD2-CB 3.45Å; F1134-C1140 VanDerWaalsContact CD2-CB 3.45Å; F1134-C1140 VanDerWaalsContact CD2-SG 3.54Å; F1134-C1140 HydrophobicContact CE2-CB 4.19Å; F1134-C1140 HydrophobicContact CG-CB 3.6Å; F1134-T1143 HydrophobicContact CE1-CG2 3.95Å; F1134-T1143 HydrophobicContact CZ-CG2 4.24Å; F1134-C1144 VanDerWaalsContact CZ-SG 3.53Å
1135	P	84	Confident	82.3	Confident	59 Å²	59	39.5 Å²	39.5	38%	0.383	20%	0.202	S	C	.	.	S	Bend	trans	-73.3	-19.1	-178	29.2	-34.6	0	0	0	113.5	I1139	P1135-I1139 HydrophobicContact CG-CD1 3.82Å
1136	S	85.8	Confident	81.2	Confident	28 Å²	28	39.7 Å²	39.7	20%	0.196	20%	0.203	C	C	.	.	S	Bend	trans	-145.1	164.3	173.8	92.2	0	0	0	0	111.6	F1110 F1134 E1138 I1139 C1140	F1110-S1136 VanDerWaalsContact CD2-C 3.43Å; F1134-S1136 VanDerWaalsContact C-N 3.29Å; F1134-S1136 PolarHBondContact O-N 2.85Å; S1136-E1138 VanDerWaalsContact C-N 3.33Å; S1136-E1138 WeakPolarHBondContact CB-OE2 3.41Å; S1136-E1138 PolarHBondContact OG-N 2.03Å; S1136-E1138 PolarHBondContact OG-OE2 3.02Å; S1136-I1139 PolarHBondContact OG-N 2.85Å; S1136-C1140 PolarHBondContact O-N 3.32Å
1137	K	80	Confident	80	Confident	82 Å²	82	43.1 Å²	43.1	36%	0.357	23%	0.228	S	C	.	.	H	α-helix	trans	-62.4	-43.4	175.8	-179.9	176.7	168.1	-70.7	0	110.7	F1110 C1119 I1139 C1140 E1141	F1110-K1137 HydrophobicContact CD1-CB 3.8Å; F1110-K1137 HydrophobicContact CD1-CG 4.3Å; F1110-K1137 HydrophobicContact CD2-CB 4.36Å; F1110-K1137 VanDerWaalsContact CD2-N 3.32Å; F1110-K1137 HydrophobicContact CE1-CB 3.71Å; F1110-K1137 HydrophobicContact CE1-CD 4.44Å; F1110-K1137 HydrophobicContact CE1-CG 4.29Å; F1110-K1137 HydrophobicContact CE2-CB 4.29Å; F1110-K1137 HydrophobicContact CG-CB 4.14Å; F1110-K1137 HydrophobicContact CZ-CB 3.97Å; C1119-K1137 HydrophobicContact CB-CG 4.27Å; K1137-I1139 PolarHBondContact O-N 2.87Å; K1137-C1140 WeakPolarHBondContact O-CB 3.41Å; K1137-C1140 PolarHBondContact O-N 3.06Å; K1137-E1141 WeakPolarHBondContact CE-OE1 3.35Å; K1137-E1141 HydrophobicContact CG-CG 4.29Å; K1137-E1141 IonicContact NZ-OE1 2.93Å; K1137-E1141 PolarHBondContact NZ-OE1 2.91Å; K1137-E1141 IonicContact NZ-OE2 2.73Å; K1137-E1141 PolarHBondContact NZ-OE2 2.9Å; K1137-E1141 WeakPolarHBondContact O-CB 3.03Å; K1137-E1141 VanDerWaalsContact O-CG 3.28Å; K1137-E1141 WeakPolarHBondContact O-CG 3.24Å; K1137-E1141 PolarHBondContact O-N 2.77Å
1138	E	75.8	Confident	79	Confident	120 Å²	120	41.7 Å²	41.7	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-63.2	-41.3	-176.3	-54.6	67.6	-141.9	0	0	111.2	S1136 E1141 E1142	S1136-E1138 VanDerWaalsContact C-N 3.33Å; S1136-E1138 WeakPolarHBondContact CB-OE2 3.41Å; S1136-E1138 PolarHBondContact OG-N 2.03Å; S1136-E1138 PolarHBondContact OG-OE2 3.02Å; E1138-E1141 PolarHBondContact O-N 3.19Å; E1138-E1142 WeakPolarHBondContact O-CB 3.47Å; E1138-E1142 PolarHBondContact O-N 3.29Å
1139	I	78.9	Confident	78.6	Confident	77 Å²	77	39.3 Å²	39.3	40%	0.395	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-38.4	177.6	-68	164.8	0	0	0	111.1	F1134 P1135 S1136 K1137 E1141 T1143	F1134-I1139 HydrophobicContact CD1-CG2 4.16Å; P1135-I1139 HydrophobicContact CG-CD1 3.82Å; S1136-I1139 PolarHBondContact OG-N 2.85Å; K1137-I1139 PolarHBondContact O-N 2.87Å; I1139-E1141 VanDerWaalsContact C-N 3.34Å; I1139-T1143 VanDerWaalsContact O-CB 3.31Å; I1139-T1143 WeakPolarHBondContact O-CB 3.26Å; I1139-T1143 PolarHBondContact O-N 3.04Å; I1139-T1143 VanDerWaalsContact O-N 3.1Å; I1139-T1143 PolarHBondContact O-OG1 3.13Å
1140	C	83.6	Confident	78.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-46	171.1	175.9	0	0	0	0	110.9	F1110 C1119 F1134 S1136 K1137 T1143 C1144	F1110-C1140 HydrophobicContact CB-CB 4.17Å; C1119-C1140 HydrophobicContact CB-CB 3.72Å; C1119-C1140 WeakPolarHBondContact CB-SG 3.38Å; C1119-C1140 WeakPolarHBondContact SG-CB 3.25Å; C1119-C1140 CovalentContact SG-SG 2.03Å; C1119-C1140 PolarHBondContact SG-SG 3.13Å; F1134-C1140 HydrophobicContact CB-CB 3.69Å; F1134-C1140 HydrophobicContact CD1-CB 4.44Å; F1134-C1140 HydrophobicContact CD2-CB 3.45Å; F1134-C1140 VanDerWaalsContact CD2-CB 3.45Å; F1134-C1140 VanDerWaalsContact CD2-SG 3.54Å; F1134-C1140 HydrophobicContact CE2-CB 4.19Å; F1134-C1140 HydrophobicContact CG-CB 3.6Å; S1136-C1140 PolarHBondContact O-N 3.32Å; K1137-C1140 WeakPolarHBondContact O-CB 3.41Å; K1137-C1140 PolarHBondContact O-N 3.06Å; C1140-T1143 PolarHBondContact O-N 3.17Å; C1140-C1144 WeakPolarHBondContact O-CB 3.39Å; C1140-C1144 PolarHBondContact O-N 3.21Å; C1140-C1144 PolarHBondContact O-SG 3.44Å
1141	E	76.3	Confident	78.4	Confident	36 Å²	36	37.9 Å²	37.9	17%	0.168	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-44.5	-178.2	-71.8	179.1	155.3	0	0	111.6	C1119 K1137 E1138 I1139 T1143 C1144 I1145	C1119-E1141 HydrophobicContact CB-CG 3.9Å; C1119-E1141 VanDerWaalsContact SG-CG 3.57Å; C1119-E1141 PolarHBondContact SG-N 3.44Å; C1119-E1141 VanDerWaalsContact SG-N 3.42Å; K1137-E1141 WeakPolarHBondContact CE-OE1 3.35Å; K1137-E1141 HydrophobicContact CG-CG 4.29Å; K1137-E1141 IonicContact NZ-OE1 2.93Å; K1137-E1141 PolarHBondContact NZ-OE1 2.91Å; K1137-E1141 IonicContact NZ-OE2 2.73Å; K1137-E1141 PolarHBondContact NZ-OE2 2.9Å; K1137-E1141 WeakPolarHBondContact O-CB 3.03Å; K1137-E1141 VanDerWaalsContact O-CG 3.28Å; K1137-E1141 WeakPolarHBondContact O-CG 3.24Å; K1137-E1141 PolarHBondContact O-N 2.77Å; E1138-E1141 PolarHBondContact O-N 3.19Å; I1139-E1141 VanDerWaalsContact C-N 3.34Å; E1141-T1143 VanDerWaalsContact C-N 3.31Å; E1141-T1143 PolarHBondContact O-N 3.08Å; E1141-C1144 PolarHBondContact O-N 3.46Å; E1141-I1145 HydrophobicContact CB-CD1 3.83Å; E1141-I1145 HydrophobicContact CB-CG1 4.27Å; E1141-I1145 HydrophobicContact CG-CD1 3.65Å; E1141-I1145 HydrophobicContact CG-CG1 4.35Å; E1141-I1145 WeakPolarHBondContact O-CA 3.35Å; E1141-I1145 VanDerWaalsContact O-CB 3.23Å; E1141-I1145 WeakPolarHBondContact O-CB 3.47Å; E1141-I1145 PolarHBondContact O-N 3.07Å
1142	E	70.5	Confident	78.1	Confident	122 Å²	122	39 Å²	39	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-63.9	-36.3	177.6	-155	-150.3	143.7	0	0	112.8	E1138 K1188	E1138-E1142 WeakPolarHBondContact O-CB 3.47Å; E1138-E1142 PolarHBondContact O-N 3.29Å; E1142-K1188 IonicContact OE1-NZ 2.79Å; E1142-K1188 PolarHBondContact OE1-NZ 3.49Å
1143	T	73.6	Confident	77.2	Confident	61 Å²	61	45.9 Å²	45.9	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-75.4	-43.6	178.7	-52.4	0	0	0	0	111.5	F1134 I1139 C1140 E1141 S1147	F1134-T1143 HydrophobicContact CE1-CG2 3.95Å; F1134-T1143 HydrophobicContact CZ-CG2 4.24Å; I1139-T1143 VanDerWaalsContact O-CB 3.31Å; I1139-T1143 WeakPolarHBondContact O-CB 3.26Å; I1139-T1143 PolarHBondContact O-N 3.04Å; I1139-T1143 VanDerWaalsContact O-N 3.1Å; I1139-T1143 PolarHBondContact O-OG1 3.13Å; C1140-T1143 PolarHBondContact O-N 3.17Å; E1141-T1143 VanDerWaalsContact C-N 3.31Å; E1141-T1143 PolarHBondContact O-N 3.08Å; T1143-S1147 PolarHBondContact O-OG 3.14Å
1144	C	78	Confident	76.8	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-100.3	-39.1	-167.7	-59.6	0	0	0	0	114.5	C1094 F1112 F1134 C1140 E1141 G1146 S1147	C1094-C1144 HydrophobicContact CB-CB 3.68Å; C1094-C1144 WeakPolarHBondContact CB-SG 3.03Å; C1094-C1144 WeakPolarHBondContact SG-CA 3.37Å; C1094-C1144 WeakPolarHBondContact SG-CB 3.05Å; C1094-C1144 CovalentContact SG-SG 2.03Å; C1094-C1144 PolarHBondContact SG-SG 2.75Å; F1112-C1144 HydrophobicContact CB-CB 3.87Å; F1112-C1144 HydrophobicContact CD1-CB 4.13Å; F1112-C1144 HydrophobicContact CD2-CB 3.5Å; F1112-C1144 HydrophobicContact CE2-CB 4.01Å; F1112-C1144 HydrophobicContact CG-CB 3.56Å; F1134-C1144 VanDerWaalsContact CZ-SG 3.53Å; C1140-C1144 WeakPolarHBondContact O-CB 3.39Å; C1140-C1144 PolarHBondContact O-N 3.21Å; C1140-C1144 PolarHBondContact O-SG 3.44Å; E1141-C1144 PolarHBondContact O-N 3.46Å; C1144-G1146 PolarHBondContact O-N 3.5Å; C1144-S1147 VanDerWaalsContact O-CB 3.27Å; C1144-S1147 WeakPolarHBondContact O-CB 3.39Å; C1144-S1147 PolarHBondContact O-N 3.28Å
1145	I	66.4	Low	76.6	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.108	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69.3	-36.4	-178.6	-62.7	-176	0	0	0	110.9	F1112 E1141 S1147 V1148 I1186	F1112-I1145 HydrophobicContact CE2-CG1 4.18Å; E1141-I1145 HydrophobicContact CB-CD1 3.83Å; E1141-I1145 HydrophobicContact CB-CG1 4.27Å; E1141-I1145 HydrophobicContact CG-CD1 3.65Å; E1141-I1145 HydrophobicContact CG-CG1 4.35Å; E1141-I1145 WeakPolarHBondContact O-CA 3.35Å; E1141-I1145 VanDerWaalsContact O-CB 3.23Å; E1141-I1145 WeakPolarHBondContact O-CB 3.47Å; E1141-I1145 PolarHBondContact O-N 3.07Å; I1145-S1147 PolarHBondContact O-N 3.49Å; I1145-S1147 VanDerWaalsContact O-N 3.09Å; I1145-V1148 WeakPolarHBondContact O-CB 3.2Å; I1145-V1148 PolarHBondContact O-N 2.9Å; I1145-I1186 HydrophobicContact CG2-CD1 4.42Å
1146	G	59.9	Low	76.7	Confident	12 Å²	12	49.6 Å²	49.6	12%	0.124	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.1	-20.6	171.5	0	0	0	0	0	114.2	C1144 R1165	C1144-G1146 PolarHBondContact O-N 3.5Å; G1146-R1165 PolarHBondContact O-NH1 2.62Å; G1146-R1165 VanDerWaalsContact O-NH1 3.12Å
1147	S	59.2	Low	76.6	Confident	74 Å²	74	48.7 Å²	48.7	52%	0.517	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-86.3	-16.2	177.3	-55.7	0	0	0	0	113.5	T1143 C1144 I1145 R1165	T1143-S1147 PolarHBondContact O-OG 3.14Å; C1144-S1147 VanDerWaalsContact O-CB 3.27Å; C1144-S1147 WeakPolarHBondContact O-CB 3.39Å; C1144-S1147 PolarHBondContact O-N 3.28Å; I1145-S1147 PolarHBondContact O-N 3.49Å; I1145-S1147 VanDerWaalsContact O-N 3.09Å; S1147-R1165 PolarHBondContact O-NH1 2.82Å; S1147-R1165 PolarHBondContact O-NH2 2.81Å
1148	V	67.3	Low	76.6	Confident	18 Å²	18	50 Å²	50	11%	0.109	28%	0.276	C	S	.	.	S	Bend	trans	-65.1	140.4	178.2	-177.4	0	0	0	0	109.5	F1112 I1145 P1150 R1165 L1234	F1112-V1148 HydrophobicContact CZ-CG2 4.09Å; I1145-V1148 WeakPolarHBondContact O-CB 3.2Å; I1145-V1148 PolarHBondContact O-N 2.9Å; V1148-P1150 VanDerWaalsContact O-CD 3.27Å; V1148-P1150 WeakPolarHBondContact O-CD 3.35Å; V1148-R1165 PolarHBondContact O-NH1 3.32Å; V1148-L1234 HydrophobicContact CB-CD1 4.39Å; V1148-L1234 HydrophobicContact CG1-CD1 3.92Å
1149	N	79.1	Confident	76.3	Confident	23 Å²	23	46 Å²	46	12%	0.123	26%	0.261	C	S	.	.			trans	-76.8	113.4	173.7	168.4	2.2	0	0	0	108.9	C1151 G1154 E1155 K1235	N1149-C1151 WeakPolarHBondContact OD1-CB 3.42Å; N1149-C1151 PolarHBondContact OD1-N 3.17Å; N1149-G1154 PolarHBondContact ND2-O 3.13Å; N1149-E1155 PolarHBondContact ND2-OE1 2.95Å; N1149-E1155 PolarHBondContact ND2-OE2 3.38Å; N1149-K1235 WeakPolarHBondContact O-CE 3.4Å; N1149-K1235 PolarHBondContact O-NZ 3.27Å
1150	P	81.6	Confident	75.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.283	C	S	.	.			trans	-84.8	-7.9	-176.2	37.9	-37.9	0	0	0	113.9	V1148 H1182 V1191 L1234 K1235	V1148-P1150 VanDerWaalsContact O-CD 3.27Å; V1148-P1150 WeakPolarHBondContact O-CD 3.35Å; P1150-H1182 PolarHBondContact O-CD2 3.21Å; P1150-H1182 PolarHBondContact O-NE2 3.12Å; P1150-V1191 HydrophobicContact CG-CG2 3.32Å; P1150-L1234 HydrophobicContact CB-CD2 3.74Å; P1150-K1235 WeakPolarHBondContact O-CA 3.29Å; P1150-K1235 PolarHBondContact O-N 3.05Å
1151	C	87.1	Confident	74.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.327	C	S	.	.			trans	-76.7	132.8	-175.6	-58.4	0	0	0	0	112.2	N1149 Q1153 C1193 K1235	N1149-C1151 WeakPolarHBondContact OD1-CB 3.42Å; N1149-C1151 PolarHBondContact OD1-N 3.17Å; C1151-Q1153 PolarHBondContact O-N 3.24Å; C1151-C1193 WeakPolarHBondContact CA-SG 3.08Å; C1151-C1193 HydrophobicContact CB-CB 3.58Å; C1151-C1193 WeakPolarHBondContact CB-SG 3.23Å; C1151-C1193 WeakPolarHBondContact SG-CA 3.38Å; C1151-C1193 WeakPolarHBondContact SG-CB 2.97Å; C1151-C1193 CovalentContact SG-SG 2.03Å; C1151-C1193 PolarHBondContact SG-SG 3.4Å; C1151-K1235 VanDerWaalsContact O-CD 3.23Å; C1151-K1235 WeakPolarHBondContact O-CD 3.28Å; C1151-K1235 WeakPolarHBondContact O-CE 3.27Å; C1151-K1235 WeakPolarHBondContact O-CG 3.45Å; C1151-K1235 PolarHBondContact O-NZ 3.19Å
1152	P	82.9	Confident	73.2	Confident	51 Å²	51	57.9 Å²	57.9	33%	0.331	34%	0.341	S	S	.	.	S	Bend	trans	-62.2	-33.8	-179.9	26.7	-35.2	0	0	0	112.5	W1180 K1235 G1236	P1152-W1180 HydrophobicContact CG-CZ2 3.92Å; P1152-K1235 HydrophobicContact CB-CB 4.43Å; P1152-G1236 WeakPolarHBondContact CD-O 3.4Å; P1152-G1236 WeakPolarHBondContact CG-O 3.47Å
1153	Q	73.1	Confident	72.7	Confident	145 Å²	145	54.9 Å²	54.9	68%	0.678	34%	0.343	S	S	*	.	S	Bend	trans	-134	145.1	176	-62.3	179.9	-2.1	0	0	109	C1151 P1194	C1151-Q1153 PolarHBondContact O-N 3.24Å; Q1153-P1194 WeakPolarHBondContact O-CG 3.31Å
1154	G	81.3	Confident	72.5	Confident	49 Å²	49	58.6 Å²	58.6	51%	0.505	36%	0.356	S	S	.	.	S	Bend	trans	67.7	-178	179.9	0	0	0	0	0	115.5	N1149	N1149-G1154 PolarHBondContact ND2-O 3.13Å
1155	E	83.6	Confident	72.5	Confident	116 Å²	116	62.2 Å²	62.2	54%	0.542	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-93.8	155.8	170.2	-74.5	-60.7	133.8	0	0	110.7	N1149 P1194	N1149-E1155 PolarHBondContact ND2-OE1 2.95Å; N1149-E1155 PolarHBondContact ND2-OE2 3.38Å; E1155-P1194 WeakPolarHBondContact O-CD 3.43Å
1156	P	86.6	Confident	73.4	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.032	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60.1	148.7	173.1	-19.1	31.5	0	0	0	111.9	I1158 R1165 V1191 C1192	P1156-I1158 WeakPolarHBondContact O-CG1 3.48Å; P1156-R1165 HydrophobicContact CB-CB 4.42Å; P1156-R1165 HydrophobicContact CB-CG 4.2Å; P1156-R1165 HydrophobicContact CG-CG 4.35Å; P1156-V1191 HydrophobicContact CB-CB 4.02Å; P1156-V1191 HydrophobicContact CB-CG2 3.78Å; P1156-V1191 HydrophobicContact CG-CG2 3.9Å; P1156-C1192 CarbonylContact C-O 3.55Å; P1156-C1192 WeakPolarHBondContact CA-O 2.99Å
1157	A	83	Confident	74.4	Confident	10 Å²	10	68.3 Å²	68.3	8%	0.083	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-56.2	144.9	169.6	0	0	0	0	0	110.5	L1166 P1176 Y1179 C1192	A1157-L1166 HydrophobicContact CB-CB 4.17Å; A1157-L1166 HydrophobicContact CB-CD2 4.32Å; A1157-L1166 WeakPolarHBondContact O-CB 3.35Å; A1157-L1166 PolarHBondContact O-N 3.26Å; A1157-P1176 HydrophobicContact CB-CG 4.28Å; A1157-Y1179 HydrophobicContact CB-CD1 3.79Å; A1157-Y1179 HydrophobicContact CB-CE1 3.74Å; A1157-Y1179 HydrophobicContact CB-CG 4.42Å; A1157-C1192 HydrophobicContact CB-CB 3.97Å; A1157-C1192 PolarHBondContact N-O 2.92Å
1158	I	81.8	Confident	75.5	Confident	110 Å²	110	65.4 Å²	65.4	56%	0.564	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-118.5	138.4	-174.4	-39.4	177.4	0	0	0	108.9	P1156 G1160 G1163 E1164	P1156-I1158 WeakPolarHBondContact O-CG1 3.48Å; I1158-G1160 PolarHBondContact O-N 3.38Å; I1158-G1163 VanDerWaalsContact CG2-O 3.23Å; I1158-G1163 WeakPolarHBondContact CG2-O 3.2Å; I1158-E1164 WeakPolarHBondContact CA-O 3.23Å; I1158-E1164 WeakPolarHBondContact CG2-O 3.31Å
1159	S	69.1	Low	75.7	Confident	36 Å²	36	67.2 Å²	67.2	25%	0.252	39%	0.392	S	S	.	.			trans	-65.7	117.9	169.8	172.2	0	0	0	0	110.2	F1161 S1162 G1163 E1164	S1159-F1161 PolarHBondContact O-N 3.23Å; S1159-S1162 WeakPolarHBondContact CB-OG 3.06Å; S1159-S1162 PolarHBondContact O-N 3.45Å; S1159-S1162 PolarHBondContact OG-OG 2.89Å; S1159-G1163 PolarHBondContact O-N 2.84Å; S1159-E1164 PolarHBondContact N-O 2.78Å
1160	G	62.2	Low	74.8	Confident	82 Å²	82	70.3 Å²	70.3	85%	0.845	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.6	-178.1	0	0	0	0	0	115.4	I1158	I1158-G1160 PolarHBondContact O-N 3.38Å
1161	F	56.1	Low	73.7	Confident	212 Å²	212	79.2 Å²	79.2	93%	0.93	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-29.1	179.6	-64.5	-75.7	0	0	0	114.2	S1159	S1159-F1161 PolarHBondContact O-N 3.23Å
1162	S	54.8	Low	71.9	Confident	68 Å²	68	85.6 Å²	85.6	48%	0.476	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-16.5	-177.8	61.9	0	0	0	0	114.5	S1159 E1164	S1159-S1162 WeakPolarHBondContact CB-OG 3.06Å; S1159-S1162 PolarHBondContact O-N 3.45Å; S1159-S1162 PolarHBondContact OG-OG 2.89Å; S1162-E1164 PolarHBondContact O-N 3.4Å; S1162-E1164 PolarHBondContact OG-N 3.23Å
1163	G	59.4	Low	70.6	Confident	59 Å²	59	91.4 Å²	91.4	61%	0.608	50%	0.503	S	S	*	.			trans	71.5	4.9	-172.3	0	0	0	0	0	114	I1158 S1159	I1158-G1163 VanDerWaalsContact CG2-O 3.23Å; I1158-G1163 WeakPolarHBondContact CG2-O 3.2Å; S1159-G1163 PolarHBondContact O-N 2.84Å
1164	E	69.9	Low	70.3	Confident	138 Å²	138	89.2 Å²	89.2	65%	0.645	50%	0.496	S	S	*	.			trans	-86.8	152.5	177.8	-62.4	-177.3	138.7	0	0	111.9	I1158 S1159 S1162 L1166	I1158-E1164 WeakPolarHBondContact CA-O 3.23Å; I1158-E1164 WeakPolarHBondContact CG2-O 3.31Å; S1159-E1164 PolarHBondContact N-O 2.78Å; S1162-E1164 PolarHBondContact O-N 3.4Å; S1162-E1164 PolarHBondContact OG-N 3.23Å; E1164-L1166 PolarHBondContact O-N 3.4Å
1165	R	78.7	Confident	70.3	Confident	78 Å²	78	87.8 Å²	87.8	29%	0.294	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-62.1	133.7	176.5	-65.6	173.1	176	170.3	-3.6	110.3	G1146 S1147 V1148 P1156 L1167 V1191	G1146-R1165 PolarHBondContact O-NH1 2.62Å; G1146-R1165 VanDerWaalsContact O-NH1 3.12Å; S1147-R1165 PolarHBondContact O-NH1 2.82Å; S1147-R1165 PolarHBondContact O-NH2 2.81Å; V1148-R1165 PolarHBondContact O-NH1 3.32Å; P1156-R1165 HydrophobicContact CB-CB 4.42Å; P1156-R1165 HydrophobicContact CB-CG 4.2Å; P1156-R1165 HydrophobicContact CG-CG 4.35Å; R1165-L1167 PolarHBondContact O-N 2.92Å; R1165-V1191 HydrophobicContact CB-CG1 4.07Å
1166	L	83.9	Confident	70.3	Confident	55 Å²	55	85 Å²	85	29%	0.288	47%	0.47	S	S	.	.			trans	-71.9	100.9	176.9	-170.2	67.1	0	0	0	109.6	A1157 E1164 P1176 V1191 C1192	A1157-L1166 HydrophobicContact CB-CB 4.17Å; A1157-L1166 HydrophobicContact CB-CD2 4.32Å; A1157-L1166 WeakPolarHBondContact O-CB 3.35Å; A1157-L1166 PolarHBondContact O-N 3.26Å; E1164-L1166 PolarHBondContact O-N 3.4Å; L1166-P1176 HydrophobicContact CD2-CG 4.45Å; L1166-V1191 WeakPolarHBondContact O-CA 3.39Å; L1166-C1192 HydrophobicContact CD2-CB 4.41Å; L1166-C1192 PolarHBondContact O-N 2.87Å; L1166-C1192 VanDerWaalsContact O-N 3.08Å
1167	L	82.4	Confident	70	Confident	105 Å²	105	94.3 Å²	94.3	55%	0.55	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-70.8	139.9	175.6	-63.5	168.6	0	0	0	110.1	R1165 P1187 S1190 V1191	R1165-L1167 PolarHBondContact O-N 2.92Å; L1167-P1187 WeakPolarHBondContact CD2-O 3.49Å; L1167-S1190 CarbonylContact C-O 3.5Å; L1167-S1190 VanDerWaalsContact CA-O 3.29Å; L1167-S1190 WeakPolarHBondContact CA-O 3.46Å; L1167-V1191 HydrophobicContact CD2-CG1 3.87Å
1168	C	81.5	Confident	69.9	Low	14 Å²	14	95.9 Å²	95.9	10%	0.095	53%	0.53	C	S	.	.			trans	-120.2	145.1	179.8	67.6	0	0	0	0	111.6	C1181 S1190 V1191	C1168-C1181 HydrophobicContact CB-CB 3.68Å; C1168-C1181 WeakPolarHBondContact CB-SG 3.43Å; C1168-C1181 WeakPolarHBondContact SG-CA 3.42Å; C1168-C1181 WeakPolarHBondContact SG-CB 3.23Å; C1168-C1181 CovalentContact SG-SG 2.03Å; C1168-C1181 PolarHBondContact SG-SG 3.38Å; C1168-S1190 PolarHBondContact N-O 2.88Å; C1168-V1191 PolarHBondContact SG-N 3.14Å; C1168-V1191 PolarHBondContact SG-O 3.48Å
1169	S	72.1	Confident	70.2	Confident	56 Å²	56	94.5 Å²	94.5	39%	0.392	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-113.2	146.9	-179.9	177.6	0	0	0	0	110.7	E1171 K1172	S1169-E1171 PolarHBondContact O-N 3.3Å; S1169-E1171 PolarHBondContact OG-N 2.69Å; S1169-K1172 PolarHBondContact O-N 3.1Å
1170	P	60.6	Low	71.1	Confident	87 Å²	87	93.8 Å²	93.8	57%	0.565	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.3	170.2	-24.2	34.6	0	0	0	114.2
1171	E	57.3	Low	72.3	Confident	187 Å²	187	90.8 Å²	90.8	87%	0.874	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-8.8	-172.7	-61.5	-175.8	173.4	0	0	113.8	S1169	S1169-E1171 PolarHBondContact O-N 3.3Å; S1169-E1171 PolarHBondContact OG-N 2.69Å
1172	K	49.3	Very low	73.9	Confident	134 Å²	134	80.8 Å²	80.8	58%	0.583	43%	0.432	S	S	*	.	B	Isolated β-bridge	trans	-144.6	109	-176.6	-138.5	-180	173	-131.3	0	111.2	S1169 D1174	S1169-K1172 PolarHBondContact O-N 3.1Å; K1172-D1174 WeakPolarHBondContact CD-OD2 3.28Å; K1172-D1174 WeakPolarHBondContact CE-OD2 3.09Å; K1172-D1174 IonicContact NZ-OD2 3.73Å; K1172-D1174 PolarHBondContact NZ-OD2 2.8Å; K1172-D1174 PolarHBondContact O-N 3.27Å
1173	F	56.4	Low	75.3	Confident	174 Å²	174	80.4 Å²	80.4	76%	0.763	42%	0.422	S	S	*	.			trans	-82.8	54.2	-169.8	-154.5	-90.3	0	0	0	112.2	C1175	F1173-C1175 PolarHBondContact O-N 2.79Å; F1173-C1175 VanDerWaalsContact O-N 3.17Å
1174	D	66.3	Low	76.2	Confident	99 Å²	99	78 Å²	78	53%	0.529	40%	0.396	S	S	.	.			trans	-87.4	34.1	-173.8	-68.5	-23.7	0	0	0	112.5	K1172	K1172-D1174 WeakPolarHBondContact CD-OD2 3.28Å; K1172-D1174 WeakPolarHBondContact CE-OD2 3.09Å; K1172-D1174 IonicContact NZ-OD2 3.73Å; K1172-D1174 PolarHBondContact NZ-OD2 2.8Å; K1172-D1174 PolarHBondContact O-N 3.27Å
1175	C	81.9	Confident	76.3	Confident	18 Å²	18	72.7 Å²	72.7	12%	0.122	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-90.2	134.2	171.5	-70.1	0	0	0	0	111.6	F1173 C1192	F1173-C1175 PolarHBondContact O-N 2.79Å; F1173-C1175 VanDerWaalsContact O-N 3.17Å; C1175-C1192 WeakPolarHBondContact CA-SG 3.39Å; C1175-C1192 HydrophobicContact CB-CB 3.82Å; C1175-C1192 WeakPolarHBondContact CB-SG 3.48Å; C1175-C1192 VanDerWaalsContact SG-CA 3.54Å; C1175-C1192 WeakPolarHBondContact SG-CB 3.26Å; C1175-C1192 CovalentContact SG-SG 2.04Å; C1175-C1192 PolarHBondContact SG-SG 3.04Å
1176	P	82.6	Confident	76.2	Confident	58 Å²	58	71.7 Å²	71.7	38%	0.377	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-66.6	157.6	179.6	26.8	-33.7	0	0	0	112.1	A1157 L1166 G1178 Y1179	A1157-P1176 HydrophobicContact CB-CG 4.28Å; L1166-P1176 HydrophobicContact CD2-CG 4.45Å; P1176-G1178 PolarHBondContact O-N 3.47Å; P1176-Y1179 HydrophobicContact CG-CD2 3.84Å; P1176-Y1179 HydrophobicContact CG-CE2 4.43Å; P1176-Y1179 HydrophobicContact CG-CG 4.12Å; P1176-Y1179 WeakPolarHBondContact O-CB 3.22Å; P1176-Y1179 PolarHBondContact O-N 3.12Å
1177	Q	80.2	Confident	75.8	Confident	201 Å²	201	74.3 Å²	74.3	94%	0.939	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	133.8	-176.1	-161.4	174.5	33.9	0	0	111.8	Y1179	Q1177-Y1179 VanDerWaalsContact C-N 3.33Å
1178	G	81.3	Confident	75.5	Confident	42 Å²	42	73.9 Å²	73.9	43%	0.433	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-9.2	-172.6	0	0	0	0	0	115	P1176 G1195 A1196	P1176-G1178 PolarHBondContact O-N 3.47Å; G1178-G1195 PolarHBondContact O-N 3.21Å; G1178-A1196 PolarHBondContact O-N 2.62Å; G1178-A1196 VanDerWaalsContact O-N 3.11Å
1179	Y	88.4	Confident	75.5	Confident	81 Å²	81	73.4 Å²	73.4	32%	0.318	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.6	174.5	-65.4	-109.7	0	0	0	111.8	A1157 P1176 Q1177 C1192 C1193 P1194	A1157-Y1179 HydrophobicContact CB-CD1 3.79Å; A1157-Y1179 HydrophobicContact CB-CE1 3.74Å; A1157-Y1179 HydrophobicContact CB-CG 4.42Å; P1176-Y1179 HydrophobicContact CG-CD2 3.84Å; P1176-Y1179 HydrophobicContact CG-CE2 4.43Å; P1176-Y1179 HydrophobicContact CG-CG 4.12Å; P1176-Y1179 WeakPolarHBondContact O-CB 3.22Å; P1176-Y1179 PolarHBondContact O-N 3.12Å; Q1177-Y1179 VanDerWaalsContact C-N 3.33Å; Y1179-C1192 HydrophobicContact CD1-CB 4.46Å; Y1179-C1193 CarbonylContact C-O 3.47Å; Y1179-C1193 WeakPolarHBondContact CA-O 3.46Å; Y1179-C1193 WeakPolarHBondContact CB-O 3.28Å; Y1179-P1194 HydrophobicContact CD1-CB 4Å; Y1179-P1194 VanDerWaalsContact CD1-N 3.34Å; Y1179-P1194 HydrophobicContact CE1-CB 3.72Å; Y1179-P1194 HydrophobicContact CE1-CG 4.16Å
1180	W	87.2	Confident	76.2	Confident	22 Å²	22	71.7 Å²	71.7	8%	0.083	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.9	175.7	64.9	-79	0	0	0	110.4	P1152 H1182 C1192 C1193 P1194 A1196 G1236 N1237 Q1238	P1152-W1180 HydrophobicContact CG-CZ2 3.92Å; W1180-H1182 HydrophobicContact CH2-CB 4Å; W1180-H1182 AromaticContact CH2-CD2 3.86Å; W1180-H1182 HydrophobicContact CZ2-CB 4.43Å; W1180-H1182 HydrophobicContact CZ3-CB 4.07Å; W1180-H1182 PolarHBondContact O-N 3.25Å; W1180-C1192 CarbonylContact O-C 3.56Å; W1180-C1192 WeakPolarHBondContact O-CA 3.33Å; W1180-C1193 HydrophobicContact CZ2-CB 4.36Å; W1180-C1193 PolarHBondContact N-O 3.29Å; W1180-C1193 PolarHBondContact O-N 2.94Å; W1180-P1194 PolarHBondContact NE1-O 2.82Å; W1180-A1196 HydrophobicContact CB-CB 3.84Å; W1180-A1196 HydrophobicContact CG-CB 4.41Å; W1180-G1236 VanDerWaalsContact CH2-O 3.31Å; W1180-G1236 WeakPolarHBondContact CH2-O 3.45Å; W1180-N1237 VanDerWaalsContact CH2-C 3.41Å; W1180-N1237 WeakPolarHBondContact CH2-O 3.33Å; W1180-Q1238 HydrophobicContact CB-CG 4.08Å; W1180-Q1238 HydrophobicContact CD2-CG 3.35Å; W1180-Q1238 HydrophobicContact CE3-CB 4.42Å; W1180-Q1238 HydrophobicContact CE3-CG 3.44Å; W1180-Q1238 VanDerWaalsContact CE3-CG 3.44Å; W1180-Q1238 HydrophobicContact CG-CG 3.63Å; W1180-Q1238 HydrophobicContact CH2-CG 4.45Å; W1180-Q1238 HydrophobicContact CZ2-CG 4.39Å; W1180-Q1238 HydrophobicContact CZ3-CG 3.99Å
1181	C	87.8	Confident	77.5	Confident	19 Å²	19	67.6 Å²	67.6	13%	0.128	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103.5	178.6	179.6	0	0	0	0	111.2	C1168 K1183	C1168-C1181 HydrophobicContact CB-CB 3.68Å; C1168-C1181 WeakPolarHBondContact CB-SG 3.43Å; C1168-C1181 WeakPolarHBondContact SG-CA 3.42Å; C1168-C1181 WeakPolarHBondContact SG-CB 3.23Å; C1168-C1181 CovalentContact SG-SG 2.03Å; C1168-C1181 PolarHBondContact SG-SG 3.38Å; C1181-K1183 PolarHBondContact O-N 3.15Å
1182	H	89.5	Confident	79.1	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127	167.3	174.1	-78.9	0	0	0	108.8	P1150 W1180 G1184 T1189 S1190 V1191 C1193 F1231 G1233 K1235	P1150-H1182 PolarHBondContact O-CD2 3.21Å; P1150-H1182 PolarHBondContact O-NE2 3.12Å; W1180-H1182 HydrophobicContact CH2-CB 4Å; W1180-H1182 AromaticContact CH2-CD2 3.86Å; W1180-H1182 HydrophobicContact CZ2-CB 4.43Å; W1180-H1182 HydrophobicContact CZ3-CB 4.07Å; W1180-H1182 PolarHBondContact O-N 3.25Å; H1182-G1184 PolarHBondContact ND1-N 3.16Å; H1182-T1189 PolarHBondContact ND1-O 2.81Å; H1182-T1189 VanDerWaalsContact ND1-O 3.14Å; H1182-S1190 CarbonylContact O-C 3.51Å; H1182-S1190 WeakPolarHBondContact O-CA 3.35Å; H1182-V1191 PolarHBondContact N-O 3.26Å; H1182-V1191 PolarHBondContact O-N 3.03Å; H1182-C1193 HydrophobicContact CB-CB 4.24Å; H1182-C1193 WeakPolarHBondContact CB-SG 3.01Å; H1182-F1231 AromaticContact CE1-CZ 3.99Å; H1182-F1231 AromaticContact NE2-CZ 3.57Å; H1182-G1233 PolarHBondContact CE1-O 3.12Å; H1182-K1235 PolarHBondContact NE2-N 3.06Å
1183	K	83.8	Confident	81	Confident	61 Å²	61	52.3 Å²	52.3	27%	0.265	28%	0.282	S	S	.	.			trans	-105.6	85.2	-176.4	-65.2	173	-176.1	171	0	110.3	C1181 R1216 F1231	C1181-K1183 PolarHBondContact O-N 3.15Å; K1183-R1216 PolarHBondContact O-NH2 3.11Å; K1183-F1231 WeakPolarHBondContact O-CE1 3.38Å
1184	G	78.4	Confident	82.5	Confident	7 Å²	7	45.4 Å²	45.4	7%	0.072	25%	0.254	C	S	.	.			trans	-71.4	-174.2	178.3	0	0	0	0	0	113.6	H1182 T1189 S1190 G1233	H1182-G1184 PolarHBondContact ND1-N 3.16Å; G1184-T1189 WeakPolarHBondContact CA-OG1 3.33Å; G1184-S1190 PolarHBondContact N-OG 3.31Å; G1184-G1233 VanDerWaalsContact CA-O 3.27Å; G1184-G1233 WeakPolarHBondContact CA-O 3.45Å
1185	G	73.5	Confident	83.2	Confident	28 Å²	28	43 Å²	43	29%	0.289	25%	0.252	S	S	.	.	S	Bend	trans	-84.4	-31	-179.6	0	0	0	0	0	115	T1189 L1214	G1185-T1189 PolarHBondContact N-OG1 3.05Å; G1185-L1214 VanDerWaalsContact CA-CD1 3.45Å
1186	I	76.1	Confident	83.1	Confident	56 Å²	56	44.1 Å²	44.1	29%	0.287	26%	0.263	S	S	.	.	S	Bend	trans	-111.8	149.9	173.8	58.9	174.1	0	0	0	110.2	I1145 K1188 T1189	I1145-I1186 HydrophobicContact CG2-CD1 4.42Å; I1186-K1188 HydrophobicContact CD1-CB 4.49Å; I1186-K1188 PolarHBondContact O-N 3.02Å; I1186-K1188 VanDerWaalsContact O-N 3.12Å; I1186-T1189 HydrophobicContact CD1-CG2 4.08Å; I1186-T1189 HydrophobicContact CG1-CG2 3.66Å; I1186-T1189 WeakPolarHBondContact CG1-OG1 3.1Å; I1186-T1189 PolarHBondContact N-OG1 2.77Å; I1186-T1189 PolarHBondContact O-N 2.81Å; I1186-T1189 PolarHBondContact O-OG1 3.12Å
1187	P	76.3	Confident	82.8	Confident	110 Å²	110	44.6 Å²	44.6	71%	0.714	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-51.8	-39.6	-178	-29.8	35.9	0	0	0	114	L1167 T1189 S1190	L1167-P1187 WeakPolarHBondContact CD2-O 3.49Å; P1187-T1189 PolarHBondContact O-N 2.98Å; P1187-T1189 VanDerWaalsContact O-N 3.1Å; P1187-S1190 WeakPolarHBondContact O-CB 3.33Å; P1187-S1190 PolarHBondContact O-N 3.39Å
1188	K	75.7	Confident	82.4	Confident	97 Å²	97	41.2 Å²	41.2	42%	0.422	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-61.3	-16.9	177	-62.2	179.3	-171.5	166.5	0	114.3	E1142 I1186	E1142-K1188 IonicContact OE1-NZ 2.79Å; E1142-K1188 PolarHBondContact OE1-NZ 3.49Å; I1186-K1188 HydrophobicContact CD1-CB 4.49Å; I1186-K1188 PolarHBondContact O-N 3.02Å; I1186-K1188 VanDerWaalsContact O-N 3.12Å
1189	T	80.2	Confident	82.3	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.018	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-101.7	2.3	176.7	58.1	0	0	0	0	113.6	H1182 G1184 G1185 I1186 P1187 L1234	H1182-T1189 PolarHBondContact ND1-O 2.81Å; H1182-T1189 VanDerWaalsContact ND1-O 3.14Å; G1184-T1189 WeakPolarHBondContact CA-OG1 3.33Å; G1185-T1189 PolarHBondContact N-OG1 3.05Å; I1186-T1189 HydrophobicContact CD1-CG2 4.08Å; I1186-T1189 HydrophobicContact CG1-CG2 3.66Å; I1186-T1189 WeakPolarHBondContact CG1-OG1 3.1Å; I1186-T1189 PolarHBondContact N-OG1 2.77Å; I1186-T1189 PolarHBondContact O-N 2.81Å; I1186-T1189 PolarHBondContact O-OG1 3.12Å; P1187-T1189 PolarHBondContact O-N 2.98Å; P1187-T1189 VanDerWaalsContact O-N 3.1Å; T1189-L1234 HydrophobicContact CG2-CD2 3.84Å
1190	S	87.2	Confident	81.8	Confident	21 Å²	21	40 Å²	40	15%	0.147	25%	0.254	C	S	.	.			trans	-94.2	94.8	172.6	-66.3	0	0	0	0	109.9	L1167 C1168 H1182 G1184 P1187	L1167-S1190 CarbonylContact C-O 3.5Å; L1167-S1190 VanDerWaalsContact CA-O 3.29Å; L1167-S1190 WeakPolarHBondContact CA-O 3.46Å; C1168-S1190 PolarHBondContact N-O 2.88Å; H1182-S1190 CarbonylContact O-C 3.51Å; H1182-S1190 WeakPolarHBondContact O-CA 3.35Å; G1184-S1190 PolarHBondContact N-OG 3.31Å; P1187-S1190 WeakPolarHBondContact O-CB 3.33Å; P1187-S1190 PolarHBondContact O-N 3.39Å
1191	V	87.7	Confident	81.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.3	-169.9	-65.7	0	0	0	0	111.9	P1150 P1156 R1165 L1166 L1167 C1168 H1182 C1193	P1150-V1191 HydrophobicContact CG-CG2 3.32Å; P1156-V1191 HydrophobicContact CB-CB 4.02Å; P1156-V1191 HydrophobicContact CB-CG2 3.78Å; P1156-V1191 HydrophobicContact CG-CG2 3.9Å; R1165-V1191 HydrophobicContact CB-CG1 4.07Å; L1166-V1191 WeakPolarHBondContact O-CA 3.39Å; L1167-V1191 HydrophobicContact CD2-CG1 3.87Å; C1168-V1191 PolarHBondContact SG-N 3.14Å; C1168-V1191 PolarHBondContact SG-O 3.48Å; H1182-V1191 PolarHBondContact N-O 3.26Å; H1182-V1191 PolarHBondContact O-N 3.03Å; V1191-C1193 PolarHBondContact O-N 3.19Å
1192	C	90.5	Very high	81.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	114.9	173.5	-60.6	0	0	0	0	111	P1156 A1157 L1166 C1175 Y1179 W1180	P1156-C1192 CarbonylContact C-O 3.55Å; P1156-C1192 WeakPolarHBondContact CA-O 2.99Å; A1157-C1192 HydrophobicContact CB-CB 3.97Å; A1157-C1192 PolarHBondContact N-O 2.92Å; L1166-C1192 HydrophobicContact CD2-CB 4.41Å; L1166-C1192 PolarHBondContact O-N 2.87Å; L1166-C1192 VanDerWaalsContact O-N 3.08Å; C1175-C1192 WeakPolarHBondContact CA-SG 3.39Å; C1175-C1192 HydrophobicContact CB-CB 3.82Å; C1175-C1192 WeakPolarHBondContact CB-SG 3.48Å; C1175-C1192 VanDerWaalsContact SG-CA 3.54Å; C1175-C1192 WeakPolarHBondContact SG-CB 3.26Å; C1175-C1192 CovalentContact SG-SG 2.04Å; C1175-C1192 PolarHBondContact SG-SG 3.04Å; Y1179-C1192 HydrophobicContact CD1-CB 4.46Å; W1180-C1192 CarbonylContact O-C 3.56Å; W1180-C1192 WeakPolarHBondContact O-CA 3.33Å
1193	C	90.4	Very high	81.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.5	179.8	-68.3	0	0	0	0	111.4	C1151 Y1179 W1180 H1182 V1191	C1151-C1193 WeakPolarHBondContact CA-SG 3.08Å; C1151-C1193 HydrophobicContact CB-CB 3.58Å; C1151-C1193 WeakPolarHBondContact CB-SG 3.23Å; C1151-C1193 WeakPolarHBondContact SG-CA 3.38Å; C1151-C1193 WeakPolarHBondContact SG-CB 2.97Å; C1151-C1193 CovalentContact SG-SG 2.03Å; C1151-C1193 PolarHBondContact SG-SG 3.4Å; Y1179-C1193 CarbonylContact C-O 3.47Å; Y1179-C1193 WeakPolarHBondContact CA-O 3.46Å; Y1179-C1193 WeakPolarHBondContact CB-O 3.28Å; W1180-C1193 HydrophobicContact CZ2-CB 4.36Å; W1180-C1193 PolarHBondContact N-O 3.29Å; W1180-C1193 PolarHBondContact O-N 2.94Å; H1182-C1193 HydrophobicContact CB-CB 4.24Å; H1182-C1193 WeakPolarHBondContact CB-SG 3.01Å; V1191-C1193 PolarHBondContact O-N 3.19Å
1194	P	87.3	Confident	81.2	Confident	30 Å²	30	48.6 Å²	48.6	20%	0.195	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	166.9	-179.5	29.6	-33.9	0	0	0	111.9	Q1153 E1155 Y1179 W1180	Q1153-P1194 WeakPolarHBondContact O-CG 3.31Å; E1155-P1194 WeakPolarHBondContact O-CD 3.43Å; Y1179-P1194 HydrophobicContact CD1-CB 4Å; Y1179-P1194 VanDerWaalsContact CD1-N 3.34Å; Y1179-P1194 HydrophobicContact CE1-CB 3.72Å; Y1179-P1194 HydrophobicContact CE1-CG 4.16Å; W1180-P1194 PolarHBondContact NE1-O 2.82Å
1195	G	80.8	Confident	81.7	Confident	47 Å²	47	50.1 Å²	50.1	49%	0.485	31%	0.311	S	S	.	.			trans	86.7	36.6	174.7	0	0	0	0	0	113.9	G1178 V1197	G1178-G1195 PolarHBondContact O-N 3.21Å; G1195-V1197 PolarHBondContact O-N 3.08Å
1196	A	81.1	Confident	82.3	Confident	43 Å²	43	53 Å²	53	36%	0.355	32%	0.317	S	S	.	.			trans	-65.4	114.4	174.8	0	0	0	0	0	111.5	G1178 W1180	G1178-A1196 PolarHBondContact O-N 2.62Å; G1178-A1196 VanDerWaalsContact O-N 3.11Å; W1180-A1196 HydrophobicContact CB-CB 3.84Å; W1180-A1196 HydrophobicContact CG-CB 4.41Å
1197	V	75.2	Confident	82.7	Confident	68 Å²	68	52.9 Å²	52.9	41%	0.412	32%	0.32	S	S	.	.			trans	-92.5	155.8	166.9	-59.8	0	0	0	0	111.4	G1195 L1203 Q1238	G1195-V1197 PolarHBondContact O-N 3.08Å; V1197-L1203 HydrophobicContact CG2-CD1 3.86Å; V1197-L1203 HydrophobicContact CG2-CD2 4.17Å; V1197-L1203 HydrophobicContact CG2-CG 4.12Å; V1197-Q1238 VanDerWaalsContact CG2-OE1 3.28Å; V1197-Q1238 PolarHBondContact O-NE2 2.79Å
1198	S	71.1	Confident	83	Confident	130 Å²	130	48.6 Å²	48.6	91%	0.909	30%	0.296	S	S	*	.	S	Bend	trans	-76.4	-34.1	-177.7	47.7	0	0	0	0	114.1	P1200	S1198-P1200 WeakPolarHBondContact O-CD 3.29Å
1199	D	79.6	Confident	83.1	Confident	71 Å²	71	47.2 Å²	47.2	38%	0.38	29%	0.29	S	S	.	.			trans	-115.1	95.8	175.6	-175.5	-8.7	0	0	0	110.3	C1201 M1202	D1199-C1201 PolarHBondContact O-N 3.17Å; D1199-C1201 WeakPolarHBondContact OD1-CA 3.49Å; D1199-C1201 WeakPolarHBondContact OD1-CB 3Å; D1199-C1201 PolarHBondContact OD1-N 3.26Å; D1199-C1201 PolarHBondContact OD1-SG 3.09Å; D1199-M1202 HydrophobicContact CB-CG 4.35Å; D1199-M1202 VanDerWaalsContact OD2-CG 3.27Å; D1199-M1202 WeakPolarHBondContact OD2-CG 3.22Å
1200	P	79.4	Confident	82.9	Confident	25 Å²	25	48.7 Å²	48.7	16%	0.162	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-61.9	-27.8	174.3	-24.9	35.8	0	0	0	114	S1198 M1202 L1203 Q1238 N1239 F1241	S1198-P1200 WeakPolarHBondContact O-CD 3.29Å; P1200-M1202 PolarHBondContact O-N 2.79Å; P1200-L1203 WeakPolarHBondContact O-CB 3.25Å; P1200-L1203 PolarHBondContact O-N 2.83Å; P1200-Q1238 HydrophobicContact CB-CB 3.72Å; P1200-Q1238 HydrophobicContact CG-CB 3.97Å; P1200-N1239 VanDerWaalsContact O-CB 3.29Å; P1200-N1239 WeakPolarHBondContact O-CB 3.41Å; P1200-F1241 HydrophobicContact CB-CZ 4.04Å; P1200-F1241 HydrophobicContact CG-CZ 4.49Å
1201	C	84	Confident	82.2	Confident	12 Å²	12	51.2 Å²	51.2	8%	0.081	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-70.3	-16.6	-170.1	-45.6	0	0	0	0	112.5	D1199 Y1219 A1250 C1251	D1199-C1201 PolarHBondContact O-N 3.17Å; D1199-C1201 WeakPolarHBondContact OD1-CA 3.49Å; D1199-C1201 WeakPolarHBondContact OD1-CB 3Å; D1199-C1201 PolarHBondContact OD1-N 3.26Å; D1199-C1201 PolarHBondContact OD1-SG 3.09Å; C1201-Y1219 HydrophobicContact CB-CD1 3.96Å; C1201-Y1219 HydrophobicContact CB-CG 4.2Å; C1201-A1250 PolarHBondContact SG-O 2.88Å; C1201-A1250 VanDerWaalsContact SG-O 3.39Å; C1201-C1251 HydrophobicContact CB-CB 3.7Å; C1201-C1251 WeakPolarHBondContact CB-SG 3.33Å; C1201-C1251 WeakPolarHBondContact SG-CA 3.49Å; C1201-C1251 WeakPolarHBondContact SG-CB 3.27Å; C1201-C1251 CovalentContact SG-SG 2.03Å; C1201-C1251 PolarHBondContact SG-SG 2.68Å
1202	M	81.1	Confident	81.7	Confident	143 Å²	143	54.7 Å²	54.7	70%	0.704	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-84.3	-11.9	174.9	-65	-71.6	-89	0	0	113.4	D1199 P1200	D1199-M1202 HydrophobicContact CB-CG 4.35Å; D1199-M1202 VanDerWaalsContact OD2-CG 3.27Å; D1199-M1202 WeakPolarHBondContact OD2-CG 3.22Å; P1200-M1202 PolarHBondContact O-N 2.79Å
1203	L	83	Confident	81.4	Confident	47 Å²	47	58.6 Å²	58.6	25%	0.246	37%	0.365	C	S	.	.	S	Bend	trans	-78.7	149.4	174.2	-55.6	173.1	0	0	0	110.6	V1197 P1200 N1237 Q1238 N1239	V1197-L1203 HydrophobicContact CG2-CD1 3.86Å; V1197-L1203 HydrophobicContact CG2-CD2 4.17Å; V1197-L1203 HydrophobicContact CG2-CG 4.12Å; P1200-L1203 WeakPolarHBondContact O-CB 3.25Å; P1200-L1203 PolarHBondContact O-N 2.83Å; L1203-N1237 HydrophobicContact CD1-CB 4.07Å; L1203-Q1238 HydrophobicContact CD1-CB 3.94Å; L1203-N1239 HydrophobicContact CB-CB 4.16Å; L1203-N1239 PolarHBondContact O-ND2 3.2Å
1204	P	86.9	Confident	81	Confident	82 Å²	82	60.6 Å²	60.6	53%	0.532	38%	0.375	S	S	.	.			trans	-62.9	150.6	172.7	27.2	-34.5	0	0	0	111.3	E1206 N1237	P1204-E1206 HydrophobicContact CG-CG 4.37Å; P1204-E1206 PolarHBondContact O-N 2.83Å; P1204-E1206 VanDerWaalsContact O-N 3.15Å; P1204-N1237 PolarHBondContact O-ND2 2.81Å
1205	I	89.3	Confident	81.2	Confident	39 Å²	39	62.9 Å²	62.9	20%	0.2	39%	0.385	C	S	.	.			trans	-71.2	110.2	170.8	-59.4	-178.7	0	0	0	108.2	P1207 G1218 N1220 Q1227 F1229	I1205-P1207 WeakPolarHBondContact O-CD 3.38Å; I1205-G1218 VanDerWaalsContact CD1-C 3.48Å; I1205-G1218 VanDerWaalsContact CD1-O 3.27Å; I1205-G1218 WeakPolarHBondContact CD1-O 3.01Å; I1205-N1220 HydrophobicContact CD1-CB 3.83Å; I1205-Q1227 HydrophobicContact CD1-CB 4.22Å; I1205-F1229 HydrophobicContact CG2-CB 4Å; I1205-F1229 HydrophobicContact CG2-CD1 3.4Å; I1205-F1229 VanDerWaalsContact CG2-CD1 3.4Å; I1205-F1229 HydrophobicContact CG2-CD2 3.82Å; I1205-F1229 HydrophobicContact CG2-CE1 3.67Å; I1205-F1229 HydrophobicContact CG2-CE2 4.06Å; I1205-F1229 HydrophobicContact CG2-CG 3.47Å; I1205-F1229 VanDerWaalsContact CG2-CG 3.47Å; I1205-F1229 HydrophobicContact CG2-CZ 3.98Å
1206	E	85.1	Confident	81.7	Confident	89 Å²	89	61.7 Å²	61.7	42%	0.416	37%	0.366	S	S	.	.			trans	-105.4	109.8	179.3	-78	-62.3	159.4	0	0	111.4	P1204 G1208 F1229 N1237	P1204-E1206 HydrophobicContact CG-CG 4.37Å; P1204-E1206 PolarHBondContact O-N 2.83Å; P1204-E1206 VanDerWaalsContact O-N 3.15Å; E1206-G1208 PolarHBondContact O-N 3.38Å; E1206-G1208 VanDerWaalsContact O-N 3.13Å; E1206-F1229 WeakPolarHBondContact O-CE2 3.44Å; E1206-N1237 WeakPolarHBondContact CG-ND2 3.15Å
1207	P	85.6	Confident	82.2	Confident	53 Å²	53	61.9 Å²	61.9	34%	0.344	36%	0.358	S	S	.	.			trans	-61.4	-16.3	172.6	-22.8	34.5	0	0	0	113.9	I1205 F1229 F1231 K1232	I1205-P1207 WeakPolarHBondContact O-CD 3.38Å; P1207-F1229 HydrophobicContact CB-CD2 4.47Å; P1207-F1231 VanDerWaalsContact O-CD2 3.26Å; P1207-F1231 WeakPolarHBondContact O-CD2 3.41Å; P1207-K1232 PolarHBondContact O-N 3.42Å
1208	G	82.3	Confident	82.8	Confident	20 Å²	20	58.6 Å²	58.6	21%	0.206	34%	0.338	C	S	.	.			trans	63.6	-155.2	-176.5	0	0	0	0	0	112.8	E1206 L1234	E1206-G1208 PolarHBondContact O-N 3.38Å; E1206-G1208 VanDerWaalsContact O-N 3.13Å; G1208-L1234 VanDerWaalsContact CA-O 3.31Å; G1208-L1234 WeakPolarHBondContact CA-O 3.2Å
1209	F	77	Confident	83.5	Confident	68 Å²	68	53.2 Å²	53.2	30%	0.298	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-134.2	176.6	173.1	63.3	-105.9	0	0	0	111.7	K1232 L1234 K1235	F1209-K1232 CarbonylContact O-C 3.49Å; F1209-K1232 VanDerWaalsContact O-CB 3.29Å; F1209-K1232 WeakPolarHBondContact O-CB 3.06Å; F1209-K1232 VanDerWaalsContact O-O 3.06Å; F1209-L1234 HydrophobicContact CD2-CB 3.87Å; F1209-L1234 HydrophobicContact CD2-CD1 3.95Å; F1209-L1234 HydrophobicContact CE2-CB 3.7Å; F1209-L1234 HydrophobicContact CE2-CD1 3.73Å; F1209-L1234 HydrophobicContact CE2-CG 4.38Å; F1209-L1234 HydrophobicContact CZ-CB 4.38Å; F1209-L1234 PolarHBondContact N-O 3.48Å; F1209-L1234 WeakPolarHBondContact O-CA 3.47Å; F1209-L1234 VanDerWaalsContact O-CB 3.3Å; F1209-L1234 WeakPolarHBondContact O-CB 3.48Å; F1209-L1234 PolarHBondContact O-N 3.2Å; F1209-K1235 HydrophobicContact CD1-CB 4.18Å; F1209-K1235 HydrophobicContact CE1-CB 3.66Å; F1209-K1235 HydrophobicContact CE1-CD 3.56Å; F1209-K1235 HydrophobicContact CE1-CG 3.57Å; F1209-K1235 HydrophobicContact CE2-CG 4.5Å; F1209-K1235 HydrophobicContact CZ-CB 4.09Å; F1209-K1235 HydrophobicContact CZ-CD 3.67Å; F1209-K1235 HydrophobicContact CZ-CG 3.55Å
1210	G	76.3	Confident	83.6	Confident	35 Å²	35	51.7 Å²	51.7	36%	0.361	29%	0.29	S	S	.	.	S	Bend	trans	119	-174.6	-173.5	0	0	0	0	0	112	K1232	G1210-K1232 CarbonylContact C-O 3.54Å; G1210-K1232 VanDerWaalsContact CA-O 3.28Å; G1210-K1232 WeakPolarHBondContact CA-O 3.39Å
1211	T	73.2	Confident	83.2	Confident	73 Å²	73	52.4 Å²	52.4	45%	0.448	30%	0.302	S	S	.	.	S	Bend	trans	-99.3	-10.2	-176.9	45.5	0	0	0	0	113.7
1212	E	77	Confident	82.3	Confident	73 Å²	73	61.7 Å²	61.7	34%	0.341	34%	0.341	S	S	.	.			trans	-74.7	164.7	-177.7	-55.7	-63.2	126.7	0	0	111.3	L1214 K1232	E1212-L1214 HydrophobicContact CB-CD1 4.32Å; E1212-L1214 HydrophobicContact CB-CD2 4.3Å; E1212-L1214 HydrophobicContact CB-CG 3.92Å; E1212-K1232 WeakPolarHBondContact CB-O 3.4Å; E1212-K1232 PolarHBondContact N-O 2.93Å; E1212-K1232 WeakPolarHBondContact O-CA 3.03Å
1213	S	82.8	Confident	81.9	Confident	83 Å²	83	57.5 Å²	57.5	58%	0.58	33%	0.326	S	S	*	.			trans	-139.9	59.8	172.9	-171.5	0	0	0	0	109.6	L1215 Y1230	S1213-L1215 PolarHBondContact O-N 2.67Å; S1213-Y1230 WeakPolarHBondContact OG-CD1 3.48Å
1214	L	84	Confident	81.1	Confident	42 Å²	42	59.3 Å²	59.3	22%	0.22	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	120.9	-175.1	-50.8	171.1	0	0	0	108.7	G1185 E1212 R1216 F1231	G1185-L1214 VanDerWaalsContact CA-CD1 3.45Å; E1212-L1214 HydrophobicContact CB-CD1 4.32Å; E1212-L1214 HydrophobicContact CB-CD2 4.3Å; E1212-L1214 HydrophobicContact CB-CG 3.92Å; L1214-R1216 HydrophobicContact CB-CG 4.36Å; L1214-R1216 PolarHBondContact O-N 2.68Å; L1214-R1216 VanDerWaalsContact O-N 3.13Å; L1214-F1231 HydrophobicContact CB-CB 4.47Å; L1214-F1231 HydrophobicContact CD1-CD1 4.01Å; L1214-F1231 HydrophobicContact CD1-CE1 4.5Å; L1214-F1231 PolarHBondContact N-O 3.2Å; L1214-F1231 PolarHBondContact O-N 3.04Å
1215	L	89.5	Confident	80.6	Confident	77 Å²	77	61.1 Å²	61.1	40%	0.403	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	116.2	171.6	-171.7	66.1	0	0	0	108.7	S1213 Y1217 Y1230	S1213-L1215 PolarHBondContact O-N 2.67Å; L1215-Y1217 HydrophobicContact CG-CE2 4.34Å; L1215-Y1230 HydrophobicContact CB-CE1 4.48Å; L1215-Y1230 HydrophobicContact CD1-CD1 4.32Å; L1215-Y1230 HydrophobicContact CD1-CE1 3.88Å
1216	R	92.3	Very high	80.4	Confident	22 Å²	22	59.9 Å²	59.9	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	165.8	177.3	-64.2	-68.7	-157.2	-150.7	-2.1	108.7	K1183 L1214 S1228 F1229 F1231 N1240 F1241 M1242	K1183-R1216 PolarHBondContact O-NH2 3.11Å; L1214-R1216 HydrophobicContact CB-CG 4.36Å; L1214-R1216 PolarHBondContact O-N 2.68Å; L1214-R1216 VanDerWaalsContact O-N 3.13Å; R1216-S1228 CarbonylContact O-C 3.33Å; R1216-S1228 VanDerWaalsContact O-CA 3.28Å; R1216-S1228 WeakPolarHBondContact O-CA 3.12Å; R1216-F1229 HydrophobicContact CB-CD1 4.19Å; R1216-F1229 HydrophobicContact CB-CE1 3.72Å; R1216-F1229 HydrophobicContact CB-CE2 4.34Å; R1216-F1229 HydrophobicContact CB-CZ 3.82Å; R1216-F1229 PolarHBondContact N-O 2.87Å; R1216-F1229 PolarHBondContact O-N 3.21Å; R1216-F1229 VanDerWaalsContact O-O 3.07Å; R1216-F1231 HydrophobicContact CB-CB 4.06Å; R1216-F1231 HydrophobicContact CG-CB 3.46Å; R1216-F1231 VanDerWaalsContact CG-CB 3.46Å; R1216-F1231 HydrophobicContact CG-CD1 4.22Å; R1216-F1231 HydrophobicContact CG-CG 4.2Å; R1216-N1240 WeakPolarHBondContact CB-OD1 3.27Å; R1216-N1240 WeakPolarHBondContact CD-OD1 3.3Å; R1216-N1240 WeakPolarHBondContact CG-OD1 3.02Å; R1216-N1240 PolarHBondContact NE-OD1 2.64Å; R1216-F1241 CarbonylContact C-O 3.46Å; R1216-F1241 WeakPolarHBondContact CA-O 3.44Å; R1216-M1242 VanDerWaalsContact NH1-CG 3.35Å
1217	Y	90.7	Very high	80.3	Confident	47 Å²	47	60.2 Å²	60.2	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133	178.5	-62.5	-95.9	0	0	0	108.1	L1215 Q1227 F1241 M1244	L1215-Y1217 HydrophobicContact CG-CE2 4.34Å; Y1217-Q1227 WeakPolarHBondContact CA-O 3.45Å; Y1217-F1241 PolarHBondContact N-O 2.85Å; Y1217-F1241 WeakPolarHBondContact O-CB 3.27Å; Y1217-F1241 VanDerWaalsContact O-CD2 3.31Å; Y1217-F1241 WeakPolarHBondContact O-CD2 3.43Å; Y1217-F1241 PolarHBondContact O-N 3.24Å; Y1217-M1244 HydrophobicContact CD1-CB 3.63Å; Y1217-M1244 HydrophobicContact CD1-CG 3.77Å; Y1217-M1244 HydrophobicContact CD1-SD 4.48Å; Y1217-M1244 HydrophobicContact CD2-CB 4.43Å; Y1217-M1244 HydrophobicContact CE1-CB 3.52Å; Y1217-M1244 HydrophobicContact CE1-CG 3.86Å; Y1217-M1244 HydrophobicContact CE1-SD 4.14Å; Y1217-M1244 HydrophobicContact CE2-CB 4.36Å; Y1217-M1244 HydrophobicContact CG-CB 4.09Å
1218	G	87.9	Confident	80.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.7	176.5	0	0	0	0	0	109.1	I1205 N1220 C1226 Q1227 N1239	I1205-G1218 VanDerWaalsContact CD1-C 3.48Å; I1205-G1218 VanDerWaalsContact CD1-O 3.27Å; I1205-G1218 WeakPolarHBondContact CD1-O 3.01Å; G1218-N1220 PolarHBondContact O-N 3.14Å; G1218-C1226 CarbonylContact O-C 3.53Å; G1218-C1226 WeakPolarHBondContact O-CA 3.27Å; G1218-Q1227 PolarHBondContact N-O 2.67Å; G1218-Q1227 PolarHBondContact O-N 3.05Å; G1218-N1239 WeakPolarHBondContact CA-O 3.38Å; G1218-N1239 WeakPolarHBondContact CA-OD1 3.25Å
1219	Y	86.2	Confident	80.9	Confident	16 Å²	16	60.7 Å²	60.7	6%	0.063	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	115.1	177.1	-171.2	-104	0	0	0	109.9	C1201 G1221 K1224 N1239 C1251 Q1252	C1201-Y1219 HydrophobicContact CB-CD1 3.96Å; C1201-Y1219 HydrophobicContact CB-CG 4.2Å; Y1219-G1221 PolarHBondContact O-N 2.91Å; Y1219-K1224 HydrophobicContact CE1-CD 4.48Å; Y1219-K1224 WeakPolarHBondContact CE2-O 3.3Å; Y1219-K1224 WeakPolarHBondContact OH-CA 3.42Å; Y1219-K1224 WeakPolarHBondContact OH-CD 3.5Å; Y1219-K1224 PolarHBondContact OH-O 2.9Å; Y1219-N1239 PolarHBondContact N-OD1 2.9Å; Y1219-N1239 PolarHBondContact O-ND2 2.84Å; Y1219-C1251 VanDerWaalsContact CB-SG 3.57Å; Y1219-C1251 HydrophobicContact CD1-CB 4.23Å; Y1219-C1251 HydrophobicContact CD2-CB 3.33Å; Y1219-C1251 HydrophobicContact CE2-CB 3.96Å; Y1219-C1251 WeakPolarHBondContact CE2-O 3.32Å; Y1219-C1251 HydrophobicContact CG-CB 3.47Å; Y1219-C1251 VanDerWaalsContact CG-CB 3.47Å; Y1219-Q1252 HydrophobicContact CE2-CB 4.41Å; Y1219-Q1252 HydrophobicContact CE2-CG 4.5Å
1220	N	82.7	Confident	81.4	Confident	39 Å²	39	64.4 Å²	64.4	21%	0.209	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	99.5	175.5	175.4	-18	0	0	0	107.7	I1205 G1218 F1222 S1223 K1224 Q1225 Q1227	I1205-N1220 HydrophobicContact CD1-CB 3.83Å; G1218-N1220 PolarHBondContact O-N 3.14Å; N1220-F1222 PolarHBondContact O-N 3.08Å; N1220-F1222 VanDerWaalsContact O-N 3.08Å; N1220-F1222 WeakPolarHBondContact OD1-CB 3.4Å; N1220-F1222 PolarHBondContact OD1-N 3.42Å; N1220-F1222 VanDerWaalsContact OD1-N 3.16Å; N1220-S1223 VanDerWaalsContact CB-OG 3.31Å; N1220-S1223 WeakPolarHBondContact CB-OG 3.01Å; N1220-S1223 PolarHBondContact O-N 3.16Å; N1220-S1223 PolarHBondContact O-OG 2.91Å; N1220-S1223 PolarHBondContact OD1-N 2.88Å; N1220-K1224 PolarHBondContact O-N 3.39Å; N1220-Q1225 PolarHBondContact N-O 2.85Å; N1220-Q1227 HydrophobicContact CB-CB 4.31Å; N1220-Q1227 PolarHBondContact ND2-OE1 2.9Å
1221	G	70	Confident	82.1	Confident	41 Å²	41	62.8 Å²	62.8	42%	0.423	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.8	-176.1	0	0	0	0	0	115	Y1219	Y1219-G1221 PolarHBondContact O-N 2.91Å
1222	F	65.5	Low	82.6	Confident	207 Å²	207	63.9 Å²	63.9	91%	0.908	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-42.9	174.6	-63.2	-82.6	0	0	0	112.3	N1220 K1224	N1220-F1222 PolarHBondContact O-N 3.08Å; N1220-F1222 VanDerWaalsContact O-N 3.08Å; N1220-F1222 WeakPolarHBondContact OD1-CB 3.4Å; N1220-F1222 PolarHBondContact OD1-N 3.42Å; N1220-F1222 VanDerWaalsContact OD1-N 3.16Å; F1222-K1224 VanDerWaalsContact C-N 3.33Å
1223	S	71.9	Confident	82.9	Confident	54 Å²	54	60.5 Å²	60.5	38%	0.378	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.6	176.3	72.6	0	0	0	0	113.5	N1220 Q1225	N1220-S1223 VanDerWaalsContact CB-OG 3.31Å; N1220-S1223 WeakPolarHBondContact CB-OG 3.01Å; N1220-S1223 PolarHBondContact O-N 3.16Å; N1220-S1223 PolarHBondContact O-OG 2.91Å; N1220-S1223 PolarHBondContact OD1-N 2.88Å; S1223-Q1225 PolarHBondContact O-N 3.43Å; S1223-Q1225 PolarHBondContact OG-N 3.02Å
1224	K	67.7	Low	83	Confident	86 Å²	86	57 Å²	57	37%	0.374	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	24.3	-172.6	-67.9	-74.2	-173.7	177.2	0	113.7	Y1219 N1220 F1222	Y1219-K1224 HydrophobicContact CE1-CD 4.48Å; Y1219-K1224 WeakPolarHBondContact CE2-O 3.3Å; Y1219-K1224 WeakPolarHBondContact OH-CA 3.42Å; Y1219-K1224 WeakPolarHBondContact OH-CD 3.5Å; Y1219-K1224 PolarHBondContact OH-O 2.9Å; N1220-K1224 PolarHBondContact O-N 3.39Å; F1222-K1224 VanDerWaalsContact C-N 3.33Å
1225	Q	75.7	Confident	83.2	Confident	119 Å²	119	57.8 Å²	57.8	56%	0.556	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	148.6	-177.1	-67.4	177.6	6.6	0	0	111.6	N1220 S1223 Q1227	N1220-Q1225 PolarHBondContact N-O 2.85Å; S1223-Q1225 PolarHBondContact O-N 3.43Å; S1223-Q1225 PolarHBondContact OG-N 3.02Å; Q1225-Q1227 PolarHBondContact O-N 3.48Å; Q1225-Q1227 VanDerWaalsContact O-N 3.17Å
1226	C	84.6	Confident	83	Confident	13 Å²	13	54.1 Å²	54.1	9%	0.088	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	104.4	165.4	-77.2	0	0	0	0	110.7	G1218 C1247 V1248	G1218-C1226 CarbonylContact O-C 3.53Å; G1218-C1226 WeakPolarHBondContact O-CA 3.27Å; C1226-C1247 HydrophobicContact CB-CB 3.72Å; C1226-C1247 WeakPolarHBondContact CB-SG 3.4Å; C1226-C1247 WeakPolarHBondContact SG-CB 3.14Å; C1226-C1247 PolarHBondContact SG-O 3.49Å; C1226-C1247 CovalentContact SG-SG 2.03Å; C1226-C1247 PolarHBondContact SG-SG 3.19Å; C1226-V1248 HydrophobicContact CB-CG2 4.19Å; C1226-V1248 PolarHBondContact SG-N 3.49Å; C1226-V1248 VanDerWaalsContact SG-N 3.4Å
1227	Q	84.2	Confident	82.8	Confident	97 Å²	97	54.1 Å²	54.1	45%	0.453	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.5	177.9	-175.5	174.1	-6.5	0	0	109.6	I1205 Y1217 G1218 N1220 Q1225	I1205-Q1227 HydrophobicContact CD1-CB 4.22Å; Y1217-Q1227 WeakPolarHBondContact CA-O 3.45Å; G1218-Q1227 PolarHBondContact N-O 2.67Å; G1218-Q1227 PolarHBondContact O-N 3.05Å; N1220-Q1227 HydrophobicContact CB-CB 4.31Å; N1220-Q1227 PolarHBondContact ND2-OE1 2.9Å; Q1225-Q1227 PolarHBondContact O-N 3.48Å; Q1225-Q1227 VanDerWaalsContact O-N 3.17Å
1228	S	87.9	Confident	82.7	Confident	64 Å²	64	53.4 Å²	53.4	45%	0.448	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.2	168.4	52.8	0	0	0	0	110.9	R1216	R1216-S1228 CarbonylContact O-C 3.33Å; R1216-S1228 VanDerWaalsContact O-CA 3.28Å; R1216-S1228 WeakPolarHBondContact O-CA 3.12Å
1229	F	92	Very high	82.8	Confident	19 Å²	19	53.4 Å²	53.4	8%	0.083	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.2	173.2	73.8	-79.4	0	0	0	110.3	I1205 E1206 P1207 R1216 F1231 N1240	I1205-F1229 HydrophobicContact CG2-CB 4Å; I1205-F1229 HydrophobicContact CG2-CD1 3.4Å; I1205-F1229 VanDerWaalsContact CG2-CD1 3.4Å; I1205-F1229 HydrophobicContact CG2-CD2 3.82Å; I1205-F1229 HydrophobicContact CG2-CE1 3.67Å; I1205-F1229 HydrophobicContact CG2-CE2 4.06Å; I1205-F1229 HydrophobicContact CG2-CG 3.47Å; I1205-F1229 VanDerWaalsContact CG2-CG 3.47Å; I1205-F1229 HydrophobicContact CG2-CZ 3.98Å; E1206-F1229 WeakPolarHBondContact O-CE2 3.44Å; P1207-F1229 HydrophobicContact CB-CD2 4.47Å; R1216-F1229 HydrophobicContact CB-CD1 4.19Å; R1216-F1229 HydrophobicContact CB-CE1 3.72Å; R1216-F1229 HydrophobicContact CB-CE2 4.34Å; R1216-F1229 HydrophobicContact CB-CZ 3.82Å; R1216-F1229 PolarHBondContact N-O 2.87Å; R1216-F1229 PolarHBondContact O-N 3.21Å; R1216-F1229 VanDerWaalsContact O-O 3.07Å; F1229-F1231 HydrophobicContact CD2-CB 4.32Å; F1229-F1231 HydrophobicContact CE2-CB 3.75Å; F1229-F1231 HydrophobicContact CE2-CD2 4.32Å; F1229-F1231 HydrophobicContact CE2-CG 4.41Å; F1229-F1231 HydrophobicContact CZ-CB 4.37Å; F1229-N1240 HydrophobicContact CZ-CB 4.11Å
1230	Y	88.3	Confident	83.1	Confident	146 Å²	146	53.5 Å²	53.5	57%	0.573	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	104.7	175.9	-66	-76.4	0	0	0	109.3	S1213 L1215	S1213-Y1230 WeakPolarHBondContact OG-CD1 3.48Å; L1215-Y1230 HydrophobicContact CB-CE1 4.48Å; L1215-Y1230 HydrophobicContact CD1-CD1 4.32Å; L1215-Y1230 HydrophobicContact CD1-CE1 3.88Å
1231	F	89.3	Confident	83.4	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.6	176.5	176.3	-125.3	0	0	0	110.5	H1182 K1183 P1207 L1214 R1216 F1229 G1233 G1236 N1240	H1182-F1231 AromaticContact CE1-CZ 3.99Å; H1182-F1231 AromaticContact NE2-CZ 3.57Å; K1183-F1231 WeakPolarHBondContact O-CE1 3.38Å; P1207-F1231 VanDerWaalsContact O-CD2 3.26Å; P1207-F1231 WeakPolarHBondContact O-CD2 3.41Å; L1214-F1231 HydrophobicContact CB-CB 4.47Å; L1214-F1231 HydrophobicContact CD1-CD1 4.01Å; L1214-F1231 HydrophobicContact CD1-CE1 4.5Å; L1214-F1231 PolarHBondContact N-O 3.2Å; L1214-F1231 PolarHBondContact O-N 3.04Å; R1216-F1231 HydrophobicContact CB-CB 4.06Å; R1216-F1231 HydrophobicContact CG-CB 3.46Å; R1216-F1231 VanDerWaalsContact CG-CB 3.46Å; R1216-F1231 HydrophobicContact CG-CD1 4.22Å; R1216-F1231 HydrophobicContact CG-CG 4.2Å; F1229-F1231 HydrophobicContact CD2-CB 4.32Å; F1229-F1231 HydrophobicContact CE2-CB 3.75Å; F1229-F1231 HydrophobicContact CE2-CD2 4.32Å; F1229-F1231 HydrophobicContact CE2-CG 4.41Å; F1229-F1231 HydrophobicContact CZ-CB 4.37Å; F1231-G1233 VanDerWaalsContact C-N 3.28Å; F1231-G1233 VanDerWaalsContact CE1-CA 3.44Å; F1231-G1233 PolarHBondContact O-N 3.46Å; F1231-G1236 VanDerWaalsContact CE2-CA 3.48Å; F1231-N1240 WeakPolarHBondContact CD1-ND2 3.08Å; F1231-N1240 WeakPolarHBondContact CD2-ND2 3.45Å; F1231-N1240 WeakPolarHBondContact CG-ND2 3.36Å
1232	K	84.8	Confident	84	Confident	97 Å²	97	55 Å²	55	42%	0.422	26%	0.262	S	S	.	.			trans	-83.5	1.6	-172.9	-65.3	-178.1	-176.4	167.5	0	115.3	P1207 F1209 G1210 E1212	P1207-K1232 PolarHBondContact O-N 3.42Å; F1209-K1232 CarbonylContact O-C 3.49Å; F1209-K1232 VanDerWaalsContact O-CB 3.29Å; F1209-K1232 WeakPolarHBondContact O-CB 3.06Å; F1209-K1232 VanDerWaalsContact O-O 3.06Å; G1210-K1232 CarbonylContact C-O 3.54Å; G1210-K1232 VanDerWaalsContact CA-O 3.28Å; G1210-K1232 WeakPolarHBondContact CA-O 3.39Å; E1212-K1232 WeakPolarHBondContact CB-O 3.4Å; E1212-K1232 PolarHBondContact N-O 2.93Å; E1212-K1232 WeakPolarHBondContact O-CA 3.03Å
1233	G	82.4	Confident	85	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	99.7	-16.7	169.9	0	0	0	0	0	115.4	H1182 G1184 F1231	H1182-G1233 PolarHBondContact CE1-O 3.12Å; G1184-G1233 VanDerWaalsContact CA-O 3.27Å; G1184-G1233 WeakPolarHBondContact CA-O 3.45Å; F1231-G1233 VanDerWaalsContact C-N 3.28Å; F1231-G1233 VanDerWaalsContact CE1-CA 3.44Å; F1231-G1233 PolarHBondContact O-N 3.46Å
1234	L	85.7	Confident	85.4	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.042	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-134.9	147.6	-178.5	-53	168.7	0	0	0	112.1	V1148 P1150 T1189 G1208 F1209 G1236	V1148-L1234 HydrophobicContact CB-CD1 4.39Å; V1148-L1234 HydrophobicContact CG1-CD1 3.92Å; P1150-L1234 HydrophobicContact CB-CD2 3.74Å; T1189-L1234 HydrophobicContact CG2-CD2 3.84Å; G1208-L1234 VanDerWaalsContact CA-O 3.31Å; G1208-L1234 WeakPolarHBondContact CA-O 3.2Å; F1209-L1234 HydrophobicContact CD2-CB 3.87Å; F1209-L1234 HydrophobicContact CD2-CD1 3.95Å; F1209-L1234 HydrophobicContact CE2-CB 3.7Å; F1209-L1234 HydrophobicContact CE2-CD1 3.73Å; F1209-L1234 HydrophobicContact CE2-CG 4.38Å; F1209-L1234 HydrophobicContact CZ-CB 4.38Å; F1209-L1234 PolarHBondContact N-O 3.48Å; F1209-L1234 WeakPolarHBondContact O-CA 3.47Å; F1209-L1234 VanDerWaalsContact O-CB 3.3Å; F1209-L1234 WeakPolarHBondContact O-CB 3.48Å; F1209-L1234 PolarHBondContact O-N 3.2Å; L1234-G1236 PolarHBondContact O-N 3.32Å
1235	K	87.5	Confident	86	Confident	60 Å²	60	53.7 Å²	53.7	26%	0.261	26%	0.259	S	S	.	.	S	Bend	trans	50.5	39.4	175.7	-58.8	-151.5	-165.7	-69.5	0	114.4	N1149 P1150 C1151 P1152 H1182 F1209	N1149-K1235 WeakPolarHBondContact O-CE 3.4Å; N1149-K1235 PolarHBondContact O-NZ 3.27Å; P1150-K1235 WeakPolarHBondContact O-CA 3.29Å; P1150-K1235 PolarHBondContact O-N 3.05Å; C1151-K1235 VanDerWaalsContact O-CD 3.23Å; C1151-K1235 WeakPolarHBondContact O-CD 3.28Å; C1151-K1235 WeakPolarHBondContact O-CE 3.27Å; C1151-K1235 WeakPolarHBondContact O-CG 3.45Å; C1151-K1235 PolarHBondContact O-NZ 3.19Å; P1152-K1235 HydrophobicContact CB-CB 4.43Å; H1182-K1235 PolarHBondContact NE2-N 3.06Å; F1209-K1235 HydrophobicContact CD1-CB 4.18Å; F1209-K1235 HydrophobicContact CE1-CB 3.66Å; F1209-K1235 HydrophobicContact CE1-CD 3.56Å; F1209-K1235 HydrophobicContact CE1-CG 3.57Å; F1209-K1235 HydrophobicContact CE2-CG 4.5Å; F1209-K1235 HydrophobicContact CZ-CB 4.09Å; F1209-K1235 HydrophobicContact CZ-CD 3.67Å; F1209-K1235 HydrophobicContact CZ-CG 3.55Å
1236	G	85.5	Confident	86.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.			trans	-76.3	164.2	159.9	0	0	0	0	0	110.6	P1152 W1180 F1231 L1234	P1152-G1236 WeakPolarHBondContact CD-O 3.4Å; P1152-G1236 WeakPolarHBondContact CG-O 3.47Å; W1180-G1236 VanDerWaalsContact CH2-O 3.31Å; W1180-G1236 WeakPolarHBondContact CH2-O 3.45Å; F1231-G1236 VanDerWaalsContact CE2-CA 3.48Å; L1234-G1236 PolarHBondContact O-N 3.32Å
1237	N	88	Confident	86.4	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.112	24%	0.244	C	C	.	.			trans	-102	-171.1	171.7	68	32.9	0	0	0	110.9	W1180 L1203 P1204 E1206 N1239 N1240	W1180-N1237 VanDerWaalsContact CH2-C 3.41Å; W1180-N1237 WeakPolarHBondContact CH2-O 3.33Å; L1203-N1237 HydrophobicContact CD1-CB 4.07Å; P1204-N1237 PolarHBondContact O-ND2 2.81Å; E1206-N1237 WeakPolarHBondContact CG-ND2 3.15Å; N1237-N1239 VanDerWaalsContact C-N 3.28Å; N1237-N1239 PolarHBondContact O-N 3.49Å; N1237-N1239 WeakPolarHBondContact OD1-CB 3.32Å; N1237-N1239 PolarHBondContact OD1-N 2.91Å; N1237-N1240 VanDerWaalsContact O-CB 3.24Å; N1237-N1240 WeakPolarHBondContact O-CB 3.31Å
1238	Q	89.2	Confident	86	Confident	33 Å²	33	48.8 Å²	48.8	15%	0.154	24%	0.238	C	C	.	.	S	Bend	trans	-70.8	-15.4	-177.9	-69.9	167.9	-85.4	0	0	114.5	W1180 V1197 P1200 L1203 N1240	W1180-Q1238 HydrophobicContact CB-CG 4.08Å; W1180-Q1238 HydrophobicContact CD2-CG 3.35Å; W1180-Q1238 HydrophobicContact CE3-CB 4.42Å; W1180-Q1238 HydrophobicContact CE3-CG 3.44Å; W1180-Q1238 VanDerWaalsContact CE3-CG 3.44Å; W1180-Q1238 HydrophobicContact CG-CG 3.63Å; W1180-Q1238 HydrophobicContact CH2-CG 4.45Å; W1180-Q1238 HydrophobicContact CZ2-CG 4.39Å; W1180-Q1238 HydrophobicContact CZ3-CG 3.99Å; V1197-Q1238 VanDerWaalsContact CG2-OE1 3.28Å; V1197-Q1238 PolarHBondContact O-NE2 2.79Å; P1200-Q1238 HydrophobicContact CB-CB 3.72Å; P1200-Q1238 HydrophobicContact CG-CB 3.97Å; L1203-Q1238 HydrophobicContact CD1-CB 3.94Å; Q1238-N1240 PolarHBondContact O-N 3.31Å
1239	N	90.7	Very high	85.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.			trans	-78.4	52.2	177.6	-160.6	-0.2	0	0	0	111.6	P1200 L1203 G1218 Y1219 N1237	P1200-N1239 VanDerWaalsContact O-CB 3.29Å; P1200-N1239 WeakPolarHBondContact O-CB 3.41Å; L1203-N1239 HydrophobicContact CB-CB 4.16Å; L1203-N1239 PolarHBondContact O-ND2 3.2Å; G1218-N1239 WeakPolarHBondContact CA-O 3.38Å; G1218-N1239 WeakPolarHBondContact CA-OD1 3.25Å; Y1219-N1239 PolarHBondContact N-OD1 2.9Å; Y1219-N1239 PolarHBondContact O-ND2 2.84Å; N1237-N1239 VanDerWaalsContact C-N 3.28Å; N1237-N1239 PolarHBondContact O-N 3.49Å; N1237-N1239 WeakPolarHBondContact OD1-CB 3.32Å; N1237-N1239 PolarHBondContact OD1-N 2.91Å
1240	N	90.9	Very high	84.2	Confident	17 Å²	17	51.6 Å²	51.6	9%	0.091	27%	0.269	C	S	.	.			trans	-146.1	79.4	-164.5	-174.4	-18.8	0	0	0	109.1	R1216 F1229 F1231 N1237 Q1238	R1216-N1240 WeakPolarHBondContact CB-OD1 3.27Å; R1216-N1240 WeakPolarHBondContact CD-OD1 3.3Å; R1216-N1240 WeakPolarHBondContact CG-OD1 3.02Å; R1216-N1240 PolarHBondContact NE-OD1 2.64Å; F1229-N1240 HydrophobicContact CZ-CB 4.11Å; F1231-N1240 WeakPolarHBondContact CD1-ND2 3.08Å; F1231-N1240 WeakPolarHBondContact CD2-ND2 3.45Å; F1231-N1240 WeakPolarHBondContact CG-ND2 3.36Å; N1237-N1240 VanDerWaalsContact O-CB 3.24Å; N1237-N1240 WeakPolarHBondContact O-CB 3.31Å; Q1238-N1240 PolarHBondContact O-N 3.31Å
1241	F	89.3	Confident	83.5	Confident	29 Å²	29	45.3 Å²	45.3	13%	0.127	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-94.1	146.9	-176.5	-56.3	-81.3	0	0	0	110.9	P1200 R1216 Y1217 Q1246 C1247 A1250	P1200-F1241 HydrophobicContact CB-CZ 4.04Å; P1200-F1241 HydrophobicContact CG-CZ 4.49Å; R1216-F1241 CarbonylContact C-O 3.46Å; R1216-F1241 WeakPolarHBondContact CA-O 3.44Å; Y1217-F1241 PolarHBondContact N-O 2.85Å; Y1217-F1241 WeakPolarHBondContact O-CB 3.27Å; Y1217-F1241 VanDerWaalsContact O-CD2 3.31Å; Y1217-F1241 WeakPolarHBondContact O-CD2 3.43Å; Y1217-F1241 PolarHBondContact O-N 3.24Å; F1241-Q1246 HydrophobicContact CB-CB 3.96Å; F1241-Q1246 HydrophobicContact CD1-CB 4.29Å; F1241-Q1246 HydrophobicContact CG-CB 4.5Å; F1241-C1247 HydrophobicContact CB-CB 3.86Å; F1241-C1247 HydrophobicContact CD2-CB 3.55Å; F1241-C1247 HydrophobicContact CE2-CB 4.34Å; F1241-C1247 HydrophobicContact CG-CB 3.86Å; F1241-A1250 HydrophobicContact CD1-CB 4.29Å; F1241-A1250 HydrophobicContact CE1-CB 3.48Å; F1241-A1250 VanDerWaalsContact CE1-CB 3.48Å; F1241-A1250 HydrophobicContact CE2-CB 4.34Å; F1241-A1250 HydrophobicContact CZ-CB 3.51Å
1242	M	82.3	Confident	81.8	Confident	83 Å²	83	48.1 Å²	48.1	41%	0.409	26%	0.259	S	S	.	.	S	Bend	trans	-79.4	-26	-175.1	-173.7	163.7	74.6	0	0	113	R1216 Q1246	R1216-M1242 VanDerWaalsContact NH1-CG 3.35Å; M1242-Q1246 VanDerWaalsContact CB-OE1 3.31Å
1243	T	87.5	Confident	79.5	Confident	52 Å²	52	50.1 Å²	50.1	32%	0.319	28%	0.275	S	S	.	.	S	Bend	trans	-132.3	155.7	178	72.3	0	0	0	0	110.8	Q1245 Q1246 C1247	T1243-Q1245 PolarHBondContact O-N 2.79Å; T1243-Q1246 PolarHBondContact O-N 3.09Å; T1243-Q1246 VanDerWaalsContact O-N 3.09Å; T1243-Q1246 WeakPolarHBondContact OG1-CG 3.44Å; T1243-Q1246 PolarHBondContact OG1-N 3.37Å; T1243-C1247 PolarHBondContact O-N 3.48Å; T1243-C1247 VanDerWaalsContact O-N 3.14Å
1244	M	80.6	Confident	77.3	Confident	106 Å²	106	50.9 Å²	50.9	52%	0.522	28%	0.28	S	S	.	.	H	α-helix	trans	-58.3	-39.4	174.7	-163	169	69.6	0	0	110.9	Y1217 Q1246 C1247 V1248	Y1217-M1244 HydrophobicContact CD1-CB 3.63Å; Y1217-M1244 HydrophobicContact CD1-CG 3.77Å; Y1217-M1244 HydrophobicContact CD1-SD 4.48Å; Y1217-M1244 HydrophobicContact CD2-CB 4.43Å; Y1217-M1244 HydrophobicContact CE1-CB 3.52Å; Y1217-M1244 HydrophobicContact CE1-CG 3.86Å; Y1217-M1244 HydrophobicContact CE1-SD 4.14Å; Y1217-M1244 HydrophobicContact CE2-CB 4.36Å; Y1217-M1244 HydrophobicContact CG-CB 4.09Å; M1244-Q1246 PolarHBondContact O-N 3.49Å; M1244-C1247 PolarHBondContact O-N 3.42Å; M1244-V1248 HydrophobicContact CG-CG2 4.2Å; M1244-V1248 VanDerWaalsContact O-CB 3.31Å; M1244-V1248 WeakPolarHBondContact O-CB 3.35Å; M1244-V1248 WeakPolarHBondContact O-CG2 3.24Å; M1244-V1248 PolarHBondContact O-N 3.43Å
1245	Q	80.6	Confident	74.8	Confident	161 Å²	161	56.2 Å²	56.2	75%	0.752	31%	0.312	S	S	*	.	H	α-helix	trans	-61.7	-38.1	174.7	-78.8	176.8	-29.9	0	0	113.3	T1243 V1248 A1249	T1243-Q1245 PolarHBondContact O-N 2.79Å; Q1245-V1248 PolarHBondContact O-N 2.74Å; Q1245-A1249 WeakPolarHBondContact O-CB 3.39Å; Q1245-A1249 PolarHBondContact O-N 3.18Å
1246	Q	81.8	Confident	72.5	Confident	73 Å²	73	58.3 Å²	58.3	34%	0.341	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-42.4	174.8	-77.4	174	2.1	0	0	111.8	F1241 M1242 T1243 M1244 A1250	F1241-Q1246 HydrophobicContact CB-CB 3.96Å; F1241-Q1246 HydrophobicContact CD1-CB 4.29Å; F1241-Q1246 HydrophobicContact CG-CB 4.5Å; M1242-Q1246 VanDerWaalsContact CB-OE1 3.31Å; T1243-Q1246 PolarHBondContact O-N 3.09Å; T1243-Q1246 VanDerWaalsContact O-N 3.09Å; T1243-Q1246 WeakPolarHBondContact OG1-CG 3.44Å; T1243-Q1246 PolarHBondContact OG1-N 3.37Å; M1244-Q1246 PolarHBondContact O-N 3.49Å; Q1246-A1250 VanDerWaalsContact O-CB 3.22Å; Q1246-A1250 WeakPolarHBondContact O-CB 3.44Å; Q1246-A1250 PolarHBondContact O-N 3.06Å
1247	C	85.7	Confident	70.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65.3	-44.9	173.7	-178.8	0	0	0	0	111.4	C1226 F1241 T1243 M1244 A1249 A1250 C1251	C1226-C1247 HydrophobicContact CB-CB 3.72Å; C1226-C1247 WeakPolarHBondContact CB-SG 3.4Å; C1226-C1247 WeakPolarHBondContact SG-CB 3.14Å; C1226-C1247 PolarHBondContact SG-O 3.49Å; C1226-C1247 CovalentContact SG-SG 2.03Å; C1226-C1247 PolarHBondContact SG-SG 3.19Å; F1241-C1247 HydrophobicContact CB-CB 3.86Å; F1241-C1247 HydrophobicContact CD2-CB 3.55Å; F1241-C1247 HydrophobicContact CE2-CB 4.34Å; F1241-C1247 HydrophobicContact CG-CB 3.86Å; T1243-C1247 PolarHBondContact O-N 3.48Å; T1243-C1247 VanDerWaalsContact O-N 3.14Å; M1244-C1247 PolarHBondContact O-N 3.42Å; C1247-A1249 PolarHBondContact O-N 3.1Å; C1247-A1250 PolarHBondContact O-N 3.47Å; C1247-C1251 VanDerWaalsContact O-CB 3.26Å; C1247-C1251 WeakPolarHBondContact O-CB 3.12Å; C1247-C1251 PolarHBondContact O-N 2.82Å
1248	V	76.7	Confident	69.9	Low	53 Å²	53	60.5 Å²	60.5	32%	0.321	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-44.1	-179	164.3	0	0	0	0	111	C1226 M1244 Q1245 A1250 C1251 Q1252	C1226-V1248 HydrophobicContact CB-CG2 4.19Å; C1226-V1248 PolarHBondContact SG-N 3.49Å; C1226-V1248 VanDerWaalsContact SG-N 3.4Å; M1244-V1248 HydrophobicContact CG-CG2 4.2Å; M1244-V1248 VanDerWaalsContact O-CB 3.31Å; M1244-V1248 WeakPolarHBondContact O-CB 3.35Å; M1244-V1248 WeakPolarHBondContact O-CG2 3.24Å; M1244-V1248 PolarHBondContact O-N 3.43Å; Q1245-V1248 PolarHBondContact O-N 2.74Å; V1248-A1250 VanDerWaalsContact C-N 3.33Å; V1248-C1251 PolarHBondContact O-N 3.33Å; V1248-Q1252 HydrophobicContact CB-CB 4.19Å; V1248-Q1252 HydrophobicContact CG1-CB 4.14Å; V1248-Q1252 HydrophobicContact CG2-CB 4.19Å; V1248-Q1252 WeakPolarHBondContact O-CA 3.49Å; V1248-Q1252 PolarHBondContact O-N 3.48Å
1249	A	71.8	Confident	69.3	Low	88 Å²	88	59.2 Å²	59.2	73%	0.727	35%	0.352	S	S	*	.	H	α-helix	trans	-69.4	-29.3	176.6	0	0	0	0	0	112.9	Q1245 C1247	Q1245-A1249 WeakPolarHBondContact O-CB 3.39Å; Q1245-A1249 PolarHBondContact O-N 3.18Å; C1247-A1249 PolarHBondContact O-N 3.1Å
1250	A	69.9	Low	68.8	Low	54 Å²	54	59.5 Å²	59.5	45%	0.446	35%	0.354	S	S	.	.	H	α-helix	trans	-79.4	-32.9	174.6	0	0	0	0	0	113.3	C1201 F1241 Q1246 C1247 V1248	C1201-A1250 PolarHBondContact SG-O 2.88Å; C1201-A1250 VanDerWaalsContact SG-O 3.39Å; F1241-A1250 HydrophobicContact CD1-CB 4.29Å; F1241-A1250 HydrophobicContact CE1-CB 3.48Å; F1241-A1250 VanDerWaalsContact CE1-CB 3.48Å; F1241-A1250 HydrophobicContact CE2-CB 4.34Å; F1241-A1250 HydrophobicContact CZ-CB 3.51Å; Q1246-A1250 VanDerWaalsContact O-CB 3.22Å; Q1246-A1250 WeakPolarHBondContact O-CB 3.44Å; Q1246-A1250 PolarHBondContact O-N 3.06Å; C1247-A1250 PolarHBondContact O-N 3.47Å; V1248-A1250 VanDerWaalsContact C-N 3.33Å
1251	C	73.9	Confident	68.1	Low	14 Å²	14	61.1 Å²	61.1	10%	0.095	37%	0.37	C	S	.	.	H	α-helix	trans	-135.7	-15.6	-160.8	-52	0	0	0	0	116.7	C1201 Y1219 C1247 V1248	C1201-C1251 HydrophobicContact CB-CB 3.7Å; C1201-C1251 WeakPolarHBondContact CB-SG 3.33Å; C1201-C1251 WeakPolarHBondContact SG-CA 3.49Å; C1201-C1251 WeakPolarHBondContact SG-CB 3.27Å; C1201-C1251 CovalentContact SG-SG 2.03Å; C1201-C1251 PolarHBondContact SG-SG 2.68Å; Y1219-C1251 VanDerWaalsContact CB-SG 3.57Å; Y1219-C1251 HydrophobicContact CD1-CB 4.23Å; Y1219-C1251 HydrophobicContact CD2-CB 3.33Å; Y1219-C1251 HydrophobicContact CE2-CB 3.96Å; Y1219-C1251 WeakPolarHBondContact CE2-O 3.32Å; Y1219-C1251 HydrophobicContact CG-CB 3.47Å; Y1219-C1251 VanDerWaalsContact CG-CB 3.47Å; C1247-C1251 VanDerWaalsContact O-CB 3.26Å; C1247-C1251 WeakPolarHBondContact O-CB 3.12Å; C1247-C1251 PolarHBondContact O-N 2.82Å; V1248-C1251 PolarHBondContact O-N 3.33Å
1252	Q	52.3	Low	67.2	Low	60 Å²	60	65.9 Å²	65.9	28%	0.28	39%	0.392	S	S	.	.			trans	-118.6	30.6	-164.7	-156.8	171.3	-28.6	0	0	114.2	Y1219 V1248 S1254	Y1219-Q1252 HydrophobicContact CE2-CB 4.41Å; Y1219-Q1252 HydrophobicContact CE2-CG 4.5Å; V1248-Q1252 HydrophobicContact CB-CB 4.19Å; V1248-Q1252 HydrophobicContact CG1-CB 4.14Å; V1248-Q1252 HydrophobicContact CG2-CB 4.19Å; V1248-Q1252 WeakPolarHBondContact O-CA 3.49Å; V1248-Q1252 PolarHBondContact O-N 3.48Å; Q1252-S1254 VanDerWaalsContact C-N 3.28Å; Q1252-S1254 PolarHBondContact O-N 3.12Å
1253	D	37.8	Very low	66.8	Low	139 Å²	139	63.8 Å²	63.8	74%	0.743	39%	0.392	S	S	*	.			trans	-92.1	42.4	168.3	-159.3	18.3	0	0	0	112.5
1254	S	35.9	Very low	66.5	Low	18 Å²	18	65.2 Å²	65.2	13%	0.126	40%	0.398	C	S	.	.			trans	-153.9	46.8	-178.2	38.4	0	0	0	0	114.9	Q1252 N1264	Q1252-S1254 VanDerWaalsContact C-N 3.28Å; Q1252-S1254 PolarHBondContact O-N 3.12Å; S1254-N1264 PolarHBondContact OG-OD1 3.26Å
1255	V	33.1	Very low	66.6	Low	119 Å²	119	61.3 Å²	61.3	72%	0.721	38%	0.38	S	S	*	.			trans	-106.4	40.1	159.7	-163.3	0	0	0	0	111.2
1256	S	38.6	Very low	66.7	Low	104 Å²	104	55.6 Å²	55.6	73%	0.727	35%	0.353	S	S	*	.	S	Bend	trans	-120.5	49.2	162.5	48.4	0	0	0	0	109.3	N1258	S1256-N1258 VanDerWaalsContact C-N 3.33Å; S1256-N1258 PolarHBondContact O-N 2.79Å
1257	G	53	Low	66.8	Low	49 Å²	49	55.7 Å²	55.7	51%	0.505	36%	0.359	S	S	.	.			trans	56.7	38.2	170.4	0	0	0	0	0	115.3	P1259	G1257-P1259 VanDerWaalsContact O-CD 3.25Å; G1257-P1259 WeakPolarHBondContact O-CD 3.2Å
1258	N	66.9	Low	66.3	Low	18 Å²	18	58.4 Å²	58.4	10%	0.096	37%	0.373	C	S	.	.			trans	-39.6	110.5	179.7	176.8	-1.8	0	0	0	110.2	S1256 C1260 G1263 N1264	S1256-N1258 VanDerWaalsContact C-N 3.33Å; S1256-N1258 PolarHBondContact O-N 2.79Å; N1258-C1260 PolarHBondContact O-N 3.17Å; N1258-C1260 WeakPolarHBondContact OD1-CB 3.35Å; N1258-C1260 PolarHBondContact OD1-N 2.95Å; N1258-C1260 PolarHBondContact OD1-SG 2.89Å; N1258-C1260 VanDerWaalsContact OD1-SG 3.35Å; N1258-G1263 PolarHBondContact ND2-O 2.96Å; N1258-N1264 PolarHBondContact ND2-OD1 3.43Å; N1258-N1264 VanDerWaalsContact ND2-OD1 3.08Å
1259	P	75.3	Confident	66.1	Low	7 Å²	7	65.1 Å²	65.1	5%	0.045	40%	0.404	C	S	.	.			trans	-69.3	-23.6	-173.9	-20.5	33.9	0	0	0	112.3	G1257 H1292 T1299 V1301 T1344 R1345	G1257-P1259 VanDerWaalsContact O-CD 3.25Å; G1257-P1259 WeakPolarHBondContact O-CD 3.2Å; P1259-H1292 VanDerWaalsContact CB-CE1 3.44Å; P1259-H1292 WeakPolarHBondContact CB-CE1 3.32Å; P1259-H1292 WeakPolarHBondContact CB-ND1 3.19Å; P1259-H1292 PolarHBondContact O-CD2 2.98Å; P1259-H1292 PolarHBondContact O-NE2 3.5Å; P1259-T1299 WeakPolarHBondContact CB-O 3.45Å; P1259-T1299 HydrophobicContact CG-CG2 4.28Å; P1259-V1301 HydrophobicContact CB-CG2 4.03Å; P1259-V1301 HydrophobicContact CG-CG2 3.68Å; P1259-T1344 HydrophobicContact CB-CG2 4.48Å; P1259-R1345 WeakPolarHBondContact O-CA 3.29Å; P1259-R1345 PolarHBondContact O-N 3.48Å
1260	C	81.3	Confident	65.6	Low	5 Å²	5	68.6 Å²	68.6	3%	0.034	41%	0.405	C	S	.	.			trans	-68.8	137.2	-178.5	-46.1	0	0	0	0	111.2	N1258 Q1262 C1303	N1258-C1260 PolarHBondContact O-N 3.17Å; N1258-C1260 WeakPolarHBondContact OD1-CB 3.35Å; N1258-C1260 PolarHBondContact OD1-N 2.95Å; N1258-C1260 PolarHBondContact OD1-SG 2.89Å; N1258-C1260 VanDerWaalsContact OD1-SG 3.35Å; C1260-Q1262 VanDerWaalsContact C-N 3.29Å; C1260-Q1262 WeakPolarHBondContact CB-O 3.26Å; C1260-C1303 WeakPolarHBondContact CA-SG 3.48Å; C1260-C1303 HydrophobicContact CB-CB 3.66Å; C1260-C1303 WeakPolarHBondContact CB-SG 3.13Å; C1260-C1303 WeakPolarHBondContact SG-CA 3.4Å; C1260-C1303 WeakPolarHBondContact SG-CB 3.45Å; C1260-C1303 CovalentContact SG-SG 2.03Å; C1260-C1303 PolarHBondContact SG-SG 2.78Å
1261	A	76.2	Confident	65.3	Low	51 Å²	51	68.5 Å²	68.5	42%	0.421	41%	0.409	S	S	.	.	S	Bend	trans	-71.4	-26.9	171.5	0	0	0	0	0	112.4
1262	Q	70.6	Confident	65.1	Low	130 Å²	130	74.6 Å²	74.6	61%	0.607	43%	0.434	S	S	*	.	S	Bend	trans	-138.8	142.7	-178.8	-60.5	179.6	7.6	0	0	109.1	C1260 P1304	C1260-Q1262 VanDerWaalsContact C-N 3.29Å; C1260-Q1262 WeakPolarHBondContact CB-O 3.26Å; Q1262-P1304 WeakPolarHBondContact O-CG 3.16Å
1263	G	74	Confident	66.2	Low	38 Å²	38	74.1 Å²	74.1	39%	0.392	44%	0.435	S	S	.	.	S	Bend	trans	59.3	-177.9	-177.6	0	0	0	0	0	115.1	N1258	N1258-G1263 PolarHBondContact ND2-O 2.96Å
1264	N	79.7	Confident	68.3	Low	83 Å²	83	69.4 Å²	69.4	44%	0.444	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-100.2	155	176.7	-70.7	-29.6	0	0	0	110.9	S1254 N1258 P1304	S1254-N1264 PolarHBondContact OG-OD1 3.26Å; N1258-N1264 PolarHBondContact ND2-OD1 3.43Å; N1258-N1264 VanDerWaalsContact ND2-OD1 3.08Å; N1264-P1304 WeakPolarHBondContact O-CD 3.47Å; N1264-P1304 WeakPolarHBondContact O-CG 3.15Å
1265	P	83.6	Confident	70.5	Confident	24 Å²	24	71.8 Å²	71.8	16%	0.156	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-60.5	148.7	178.7	-21.3	33.3	0	0	0	112.9	V1273 V1301 C1302	P1265-V1273 HydrophobicContact CB-CG1 3.7Å; P1265-V1273 HydrophobicContact CB-CG2 4.39Å; P1265-V1273 HydrophobicContact CG-CG1 4.43Å; P1265-V1301 HydrophobicContact CB-CB 4.12Å; P1265-V1301 HydrophobicContact CB-CG2 3.87Å; P1265-V1301 HydrophobicContact CG-CG2 3.9Å; P1265-C1302 CarbonylContact C-O 3.55Å; P1265-C1302 WeakPolarHBondContact CA-O 3.2Å
1266	E	83.6	Confident	72.8	Confident	40 Å²	40	66.1 Å²	66.1	19%	0.187	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-60.2	142.9	174.6	-156.9	175.7	-177.1	0	0	110.7	V1273 I1274 C1285 G1286 H1289 C1302	E1266-V1273 WeakPolarHBondContact O-CA 3.49Å; E1266-I1274 HydrophobicContact CB-CD1 4.35Å; E1266-I1274 HydrophobicContact CG-CD1 3.97Å; E1266-I1274 PolarHBondContact O-N 3.31Å; E1266-C1285 WeakPolarHBondContact OE2-CA 3.45Å; E1266-G1286 VanDerWaalsContact CD-N 3.3Å; E1266-G1286 VanDerWaalsContact OE1-CA 3.25Å; E1266-G1286 WeakPolarHBondContact OE1-CA 3.41Å; E1266-G1286 PolarHBondContact OE1-N 2.99Å; E1266-G1286 PolarHBondContact OE2-N 2.79Å; E1266-H1289 WeakPolarHBondContact OE2-CB 3.41Å; E1266-H1289 IonicContact OE2-CG 2.76Å; E1266-C1302 HydrophobicContact CB-CB 3.62Å; E1266-C1302 PolarHBondContact N-O 3.36Å; E1266-C1302 WeakPolarHBondContact OE2-CB 3.18Å
1267	V	82.1	Confident	74.5	Confident	76 Å²	76	65.3 Å²	65.3	46%	0.461	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-122.1	146.3	177.8	-64.9	0	0	0	0	110.8	K1272 V1273	V1267-K1272 CarbonylContact C-O 3.58Å; V1267-K1272 VanDerWaalsContact CA-O 3.24Å; V1267-K1272 WeakPolarHBondContact CA-O 3.39Å; V1267-V1273 HydrophobicContact CG1-CG2 4.16Å
1268	D	76	Confident	74.8	Confident	56 Å²	56	65.1 Å²	65.1	30%	0.299	36%	0.361	S	S	.	.			trans	-70.1	176.7	173.9	64.8	22	0	0	0	112.2	Q1270 G1271 K1272 I1274	D1268-Q1270 PolarHBondContact O-N 3.39Å; D1268-Q1270 WeakPolarHBondContact OD1-CA 3.43Å; D1268-Q1270 WeakPolarHBondContact OD1-CB 3.49Å; D1268-Q1270 PolarHBondContact OD1-N 3.47Å; D1268-G1271 PolarHBondContact O-N 3.46Å; D1268-G1271 PolarHBondContact OD1-N 2.83Å; D1268-G1271 VanDerWaalsContact OD1-N 3.07Å; D1268-K1272 PolarHBondContact N-O 3.05Å; D1268-K1272 PolarHBondContact OD1-N 2.77Å; D1268-I1274 HydrophobicContact CB-CD1 4.45Å; D1268-I1274 HydrophobicContact CB-CG1 4.23Å
1269	M	73	Confident	74.1	Confident	195 Å²	195	70.1 Å²	70.1	96%	0.961	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-7.5	178.3	-66.3	-157.7	-63.5	0	0	113.9
1270	Q	61.2	Low	73	Confident	160 Å²	160	72.2 Å²	72.2	75%	0.748	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	0.3	171.3	-65	84.7	2.4	0	0	112.8	D1268	D1268-Q1270 PolarHBondContact O-N 3.39Å; D1268-Q1270 WeakPolarHBondContact OD1-CA 3.43Å; D1268-Q1270 WeakPolarHBondContact OD1-CB 3.49Å; D1268-Q1270 PolarHBondContact OD1-N 3.47Å
1271	G	62.6	Low	71.5	Confident	53 Å²	53	73.5 Å²	73.5	55%	0.546	42%	0.424	S	S	.	.	S	Bend	trans	81.4	15.4	-179.9	0	0	0	0	0	114.4	D1268	D1268-G1271 PolarHBondContact O-N 3.46Å; D1268-G1271 PolarHBondContact OD1-N 2.83Å; D1268-G1271 VanDerWaalsContact OD1-N 3.07Å
1272	K	71	Confident	70.4	Confident	141 Å²	141	74.4 Å²	74.4	61%	0.613	42%	0.422	S	S	*	.			trans	-96.5	136.9	178.8	-175.4	-173.8	176.7	-171.4	0	110.8	V1267 D1268 I1274	V1267-K1272 CarbonylContact C-O 3.58Å; V1267-K1272 VanDerWaalsContact CA-O 3.24Å; V1267-K1272 WeakPolarHBondContact CA-O 3.39Å; D1268-K1272 PolarHBondContact N-O 3.05Å; D1268-K1272 PolarHBondContact OD1-N 2.77Å; K1272-I1274 PolarHBondContact O-N 2.94Å
1273	V	75.3	Confident	69.9	Low	51 Å²	51	73 Å²	73	31%	0.309	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-56.6	128.4	179.9	174.7	0	0	0	0	111.9	P1265 E1266 V1267 H1275 V1301	P1265-V1273 HydrophobicContact CB-CG1 3.7Å; P1265-V1273 HydrophobicContact CB-CG2 4.39Å; P1265-V1273 HydrophobicContact CG-CG1 4.43Å; E1266-V1273 WeakPolarHBondContact O-CA 3.49Å; V1267-V1273 HydrophobicContact CG1-CG2 4.16Å; V1273-H1275 PolarHBondContact O-CD2 3.4Å; V1273-H1275 PolarHBondContact O-N 3.06Å; V1273-V1301 HydrophobicContact CG1-CB 3.95Å; V1273-V1301 HydrophobicContact CG1-CG1 3.58Å
1274	I	81.5	Confident	69.7	Low	39 Å²	39	77.4 Å²	77.4	20%	0.2	43%	0.433	C	S	.	.			trans	-78.8	108.7	176.9	-55.9	-177.6	0	0	0	108.7	E1266 D1268 K1272 V1301 C1302	E1266-I1274 HydrophobicContact CB-CD1 4.35Å; E1266-I1274 HydrophobicContact CG-CD1 3.97Å; E1266-I1274 PolarHBondContact O-N 3.31Å; D1268-I1274 HydrophobicContact CB-CD1 4.45Å; D1268-I1274 HydrophobicContact CB-CG1 4.23Å; K1272-I1274 PolarHBondContact O-N 2.94Å; I1274-V1301 WeakPolarHBondContact O-CA 3.18Å; I1274-C1302 HydrophobicContact CB-CB 4.44Å; I1274-C1302 PolarHBondContact O-N 3.29Å
1275	H	82.1	Confident	69.7	Low	69 Å²	69	74.2 Å²	74.2	32%	0.319	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-81.1	139.7	171.4	-69.2	-84.1	0	0	0	110.6	V1273 I1297 E1298 S1300	V1273-H1275 PolarHBondContact O-CD2 3.4Å; V1273-H1275 PolarHBondContact O-N 3.06Å; H1275-I1297 PolarHBondContact ND1-O 3.49Å; H1275-E1298 PolarHBondContact CE1-O 2.98Å; H1275-S1300 WeakPolarHBondContact CA-O 3.32Å; H1275-S1300 PolarHBondContact ND1-O 2.83Å
1276	C	80.8	Confident	69.6	Low	0 Å²	0	74.1 Å²	74.1	0%	0	42%	0.42	C	S	.	.			trans	-129.5	157.9	-177.8	68.6	0	0	0	0	110.4	C1291 S1300 V1301	C1276-C1291 HydrophobicContact CB-CB 3.78Å; C1276-C1291 WeakPolarHBondContact CB-SG 3.43Å; C1276-C1291 WeakPolarHBondContact SG-CA 3.34Å; C1276-C1291 WeakPolarHBondContact SG-CB 3.33Å; C1276-C1291 CovalentContact SG-SG 2.02Å; C1276-C1291 PolarHBondContact SG-SG 3.31Å; C1276-S1300 PolarHBondContact N-O 2.67Å; C1276-S1300 VanDerWaalsContact N-O 3.1Å; C1276-S1300 WeakPolarHBondContact O-CB 3.31Å; C1276-V1301 PolarHBondContact SG-O 2.73Å
1277	F	74.6	Confident	69	Low	87 Å²	87	79.7 Å²	79.7	38%	0.382	45%	0.446	S	S	.	.			trans	-129.2	147.7	-171.2	-47.5	-81.3	0	0	0	110	T1279 S1281 I1297	F1277-T1279 PolarHBondContact O-N 3.42Å; F1277-T1279 VanDerWaalsContact O-N 3.14Å; F1277-S1281 WeakPolarHBondContact O-CA 3.22Å; F1277-S1281 VanDerWaalsContact O-CB 3.28Å; F1277-S1281 WeakPolarHBondContact O-CB 3.19Å; F1277-S1281 PolarHBondContact O-N 2.82Å; F1277-I1297 HydrophobicContact CD1-CD1 4.29Å; F1277-I1297 HydrophobicContact CD1-CG1 4.26Å; F1277-I1297 HydrophobicContact CE1-CD1 3.76Å; F1277-I1297 HydrophobicContact CE1-CG1 3.81Å
1278	A	59.3	Low	68.8	Low	44 Å²	44	82.2 Å²	82.2	36%	0.364	46%	0.457	S	S	.	.	S	Bend	trans	-57.9	-33.5	-173.8	0	0	0	0	0	113.7	G1280 I1293	A1278-G1280 PolarHBondContact O-N 3.14Å; A1278-I1293 HydrophobicContact CB-CD1 4.05Å; A1278-I1293 HydrophobicContact CB-CG1 4.35Å
1279	T	52.6	Low	69.3	Low	124 Å²	124	81.5 Å²	81.5	76%	0.761	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	102.5	177.9	50.9	0	0	0	0	111.4	F1277	F1277-T1279 PolarHBondContact O-N 3.42Å; F1277-T1279 VanDerWaalsContact O-N 3.14Å
1280	G	51.5	Low	69.9	Low	51 Å²	51	73.6 Å²	73.6	53%	0.526	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	27.3	-177.8	0	0	0	0	0	113.4	A1278 D1282 S1283	A1278-G1280 PolarHBondContact O-N 3.14Å; G1280-D1282 VanDerWaalsContact C-N 3.27Å; G1280-D1282 PolarHBondContact O-N 2.65Å; G1280-S1283 PolarHBondContact O-N 2.94Å; G1280-S1283 VanDerWaalsContact O-N 3.15Å; G1280-S1283 PolarHBondContact O-OG 3.3Å
1281	S	50.1	Low	71	Confident	31 Å²	31	66.4 Å²	66.4	22%	0.217	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-46.4	-40	-165.7	64.6	0	0	0	0	116.9	F1277 S1283	F1277-S1281 WeakPolarHBondContact O-CA 3.22Å; F1277-S1281 VanDerWaalsContact O-CB 3.28Å; F1277-S1281 WeakPolarHBondContact O-CB 3.19Å; F1277-S1281 PolarHBondContact O-N 2.82Å; S1281-S1283 VanDerWaalsContact C-N 3.34Å; S1281-S1283 PolarHBondContact O-N 3.38Å
1282	D	52.6	Low	72.2	Confident	71 Å²	71	64 Å²	64	38%	0.38	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-85	-4.6	-170.2	-71.2	7.8	0	0	0	114	G1280 R1306	G1280-D1282 VanDerWaalsContact C-N 3.27Å; G1280-D1282 PolarHBondContact O-N 2.65Å; D1282-R1306 IonicContact OD2-CZ 2.94Å; D1282-R1306 IonicContact OD2-NH1 3.94Å; D1282-R1306 IonicContact OD2-NH2 3.14Å; D1282-R1306 PolarHBondContact OD2-NH2 3.27Å
1283	S	60.1	Low	72.8	Confident	101 Å²	101	59.3 Å²	59.3	71%	0.706	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-86	-10.3	174.5	64.9	0	0	0	0	113.9	G1280 S1281	G1280-S1283 PolarHBondContact O-N 2.94Å; G1280-S1283 VanDerWaalsContact O-N 3.15Å; G1280-S1283 PolarHBondContact O-OG 3.3Å; S1281-S1283 VanDerWaalsContact C-N 3.34Å; S1281-S1283 PolarHBondContact O-N 3.38Å
1284	Y	69.9	Low	73	Confident	130 Å²	130	57.2 Å²	57.2	51%	0.51	32%	0.324	S	S	.	.	S	Bend	trans	-93.3	-18.5	178	-71.8	-85.3	0	0	0	113.8
1285	C	80.9	Confident	72.8	Confident	15 Å²	15	57 Å²	57	10%	0.101	33%	0.328	C	S	.	.	S	Bend	trans	-104.7	150.2	-176.8	-51.7	0	0	0	0	111.5	E1266 H1289 C1302	E1266-C1285 WeakPolarHBondContact OE2-CA 3.45Å; C1285-H1289 HydrophobicContact CB-CB 4.02Å; C1285-C1302 WeakPolarHBondContact CA-SG 3.27Å; C1285-C1302 HydrophobicContact CB-CB 3.63Å; C1285-C1302 WeakPolarHBondContact CB-SG 3.22Å; C1285-C1302 WeakPolarHBondContact SG-CA 3.16Å; C1285-C1302 WeakPolarHBondContact SG-CB 3.28Å; C1285-C1302 CovalentContact SG-SG 2.03Å; C1285-C1302 PolarHBondContact SG-SG 2.8Å
1286	G	79.7	Confident	72.6	Confident	23 Å²	23	59 Å²	59	24%	0.237	34%	0.336	C	S	.	.			trans	-63.1	162.9	171.8	0	0	0	0	0	112.7	E1266 D1288 H1289	E1266-G1286 VanDerWaalsContact CD-N 3.3Å; E1266-G1286 VanDerWaalsContact OE1-CA 3.25Å; E1266-G1286 WeakPolarHBondContact OE1-CA 3.41Å; E1266-G1286 PolarHBondContact OE1-N 2.99Å; E1266-G1286 PolarHBondContact OE2-N 2.79Å; G1286-D1288 VanDerWaalsContact C-N 3.29Å; G1286-D1288 PolarHBondContact O-N 2.83Å; G1286-D1288 VanDerWaalsContact O-N 3.15Å; G1286-H1289 WeakPolarHBondContact O-CA 3.32Å; G1286-H1289 PolarHBondContact O-N 3.41Å; G1286-H1289 VanDerWaalsContact O-O 3.1Å
1287	Q	72.3	Confident	72	Confident	157 Å²	157	64.4 Å²	64.4	73%	0.734	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.8	-168.3	-69.4	-172.6	-56.2	0	0	114.3	H1289 R1306	Q1287-H1289 VanDerWaalsContact C-N 3.32Å; Q1287-R1306 WeakPolarHBondContact O-CD 3.19Å
1288	D	77.3	Confident	72	Confident	128 Å²	128	66.6 Å²	66.6	68%	0.684	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	0.1	178.7	-55.9	-47.8	0	0	0	113.9	G1286 G1305 R1306	G1286-D1288 VanDerWaalsContact C-N 3.29Å; G1286-D1288 PolarHBondContact O-N 2.83Å; G1286-D1288 VanDerWaalsContact O-N 3.15Å; D1288-G1305 PolarHBondContact O-N 3.02Å; D1288-R1306 WeakPolarHBondContact O-CB 3.26Å; D1288-R1306 PolarHBondContact O-N 3.23Å; D1288-R1306 VanDerWaalsContact O-N 3.15Å
1289	H	85.7	Confident	73	Confident	42 Å²	42	65.6 Å²	65.6	19%	0.194	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.7	-178.7	-65.6	74.6	0	0	0	111.7	E1266 C1285 G1286 Q1287 C1302 C1303 P1304 R1306	E1266-H1289 WeakPolarHBondContact OE2-CB 3.41Å; E1266-H1289 IonicContact OE2-CG 2.76Å; C1285-H1289 HydrophobicContact CB-CB 4.02Å; G1286-H1289 WeakPolarHBondContact O-CA 3.32Å; G1286-H1289 PolarHBondContact O-N 3.41Å; G1286-H1289 VanDerWaalsContact O-O 3.1Å; Q1287-H1289 VanDerWaalsContact C-N 3.32Å; H1289-C1302 HydrophobicContact CB-CB 4.37Å; H1289-C1303 CarbonylContact C-O 3.58Å; H1289-C1303 WeakPolarHBondContact CA-O 3.2Å; H1289-C1303 WeakPolarHBondContact CB-O 3.03Å; H1289-P1304 VanDerWaalsContact CD2-N 3.33Å; H1289-R1306 PolarHBondContact O-NH1 2.83Å
1290	W	85.9	Confident	74.6	Confident	28 Å²	28	60.2 Å²	60.2	11%	0.106	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.7	178.5	65.7	-80.5	0	0	0	110	H1292 C1303 P1304 R1306 Q1348	W1290-H1292 HydrophobicContact CE3-CB 4.45Å; W1290-H1292 HydrophobicContact CH2-CB 3.97Å; W1290-H1292 AromaticContact CH2-CD2 3.99Å; W1290-H1292 HydrophobicContact CZ2-CB 4.42Å; W1290-H1292 HydrophobicContact CZ3-CB 3.99Å; W1290-H1292 PolarHBondContact O-N 2.93Å; W1290-C1303 HydrophobicContact CD2-CB 4.48Å; W1290-C1303 HydrophobicContact CZ2-CB 4.29Å; W1290-C1303 PolarHBondContact N-O 2.87Å; W1290-C1303 PolarHBondContact NE1-O 3.41Å; W1290-C1303 PolarHBondContact O-N 2.72Å; W1290-P1304 PolarHBondContact NE1-O 2.83Å; W1290-R1306 HydrophobicContact CB-CB 4.09Å; W1290-R1306 HydrophobicContact CB-CG 4.12Å; W1290-Q1348 HydrophobicContact CB-CG 4.21Å; W1290-Q1348 HydrophobicContact CD2-CG 3.27Å; W1290-Q1348 HydrophobicContact CE3-CB 4.48Å; W1290-Q1348 HydrophobicContact CE3-CG 3.4Å; W1290-Q1348 VanDerWaalsContact CE3-CG 3.4Å; W1290-Q1348 HydrophobicContact CG-CG 3.63Å; W1290-Q1348 HydrophobicContact CH2-CG 4.19Å; W1290-Q1348 HydrophobicContact CZ2-CG 4.12Å; W1290-Q1348 HydrophobicContact CZ3-CG 3.85Å
1291	C	85.7	Confident	76.3	Confident	10 Å²	10	57.9 Å²	57.9	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	106.7	-179.4	-178.6	0	0	0	0	112	C1276 I1293	C1276-C1291 HydrophobicContact CB-CB 3.78Å; C1276-C1291 WeakPolarHBondContact CB-SG 3.43Å; C1276-C1291 WeakPolarHBondContact SG-CA 3.34Å; C1276-C1291 WeakPolarHBondContact SG-CB 3.33Å; C1276-C1291 CovalentContact SG-SG 2.02Å; C1276-C1291 PolarHBondContact SG-SG 3.31Å; C1291-I1293 PolarHBondContact O-N 2.76Å; C1291-I1293 WeakPolarHBondContact SG-CD1 3.43Å
1292	H	87.2	Confident	78.1	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.8	169.1	168.9	-78.5	0	0	0	109.3	P1259 W1290 T1299 S1300 V1301 C1303 Y1341	P1259-H1292 VanDerWaalsContact CB-CE1 3.44Å; P1259-H1292 WeakPolarHBondContact CB-CE1 3.32Å; P1259-H1292 WeakPolarHBondContact CB-ND1 3.19Å; P1259-H1292 PolarHBondContact O-CD2 2.98Å; P1259-H1292 PolarHBondContact O-NE2 3.5Å; W1290-H1292 HydrophobicContact CE3-CB 4.45Å; W1290-H1292 HydrophobicContact CH2-CB 3.97Å; W1290-H1292 AromaticContact CH2-CD2 3.99Å; W1290-H1292 HydrophobicContact CZ2-CB 4.42Å; W1290-H1292 HydrophobicContact CZ3-CB 3.99Å; W1290-H1292 PolarHBondContact O-N 2.93Å; H1292-T1299 PolarHBondContact CE1-O 3.43Å; H1292-T1299 PolarHBondContact ND1-O 3.09Å; H1292-S1300 CarbonylContact O-C 3.55Å; H1292-S1300 WeakPolarHBondContact O-CA 3.37Å; H1292-V1301 PolarHBondContact N-O 3.28Å; H1292-V1301 PolarHBondContact O-N 3.47Å; H1292-V1301 VanDerWaalsContact O-N 3.09Å; H1292-C1303 HydrophobicContact CB-CB 4.15Å; H1292-C1303 WeakPolarHBondContact CB-SG 3.42Å; H1292-Y1341 AromaticContact NE2-CZ 3.98Å; H1292-Y1341 PolarHBondContact NE2-OH 3.31Å
1293	I	83.8	Confident	79.7	Confident	42 Å²	42	53 Å²	53	22%	0.215	28%	0.279	C	S	.	.			trans	-96.4	104.4	174.8	-55.8	-63.4	0	0	0	110.3	A1278 C1291 R1326	A1278-I1293 HydrophobicContact CB-CD1 4.05Å; A1278-I1293 HydrophobicContact CB-CG1 4.35Å; C1291-I1293 PolarHBondContact O-N 2.76Å; C1291-I1293 WeakPolarHBondContact SG-CD1 3.43Å; I1293-R1326 PolarHBondContact O-NH1 3.13Å; I1293-R1326 PolarHBondContact O-NH2 2.87Å
1294	G	80.2	Confident	80.9	Confident	8 Å²	8	49.6 Å²	49.6	8%	0.082	25%	0.254	C	S	.	.			trans	-87.6	-164.2	178.9	0	0	0	0	0	114.5	T1299 S1300 G1343	G1294-T1299 WeakPolarHBondContact CA-OG1 3.28Å; G1294-T1299 PolarHBondContact N-O 2.93Å; G1294-S1300 PolarHBondContact N-OG 3.12Å; G1294-G1343 WeakPolarHBondContact CA-O 3.43Å
1295	A	77.1	Confident	81.4	Confident	35 Å²	35	45.4 Å²	45.4	29%	0.289	25%	0.25	S	S	.	.	S	Bend	trans	-85.2	-23	178	0	0	0	0	0	114.1	T1299 H1322 L1324 G1343	A1295-T1299 PolarHBondContact N-OG1 3.42Å; A1295-H1322 HydrophobicContact CB-CB 3.91Å; A1295-H1322 WeakPolarHBondContact CB-CD2 3.23Å; A1295-L1324 HydrophobicContact CB-CD1 3.97Å; A1295-G1343 PolarHBondContact N-O 3.07Å
1296	K	77.2	Confident	81.5	Confident	111 Å²	111	48.6 Å²	48.6	48%	0.483	26%	0.26	S	S	.	.	S	Bend	trans	-125.6	159	175.5	-60.8	-177.4	-176.9	-179.3	0	109.8	E1298 T1299 S1300	K1296-E1298 HydrophobicContact CB-CB 4.43Å; K1296-E1298 PolarHBondContact O-N 3.48Å; K1296-T1299 PolarHBondContact N-OG1 3.29Å; K1296-T1299 CarbonylContact O-C 3.53Å; K1296-T1299 WeakPolarHBondContact O-CA 3.26Å; K1296-T1299 PolarHBondContact O-N 3.49Å; K1296-T1299 PolarHBondContact O-OG1 2.74Å; K1296-S1300 PolarHBondContact O-N 3.25Å; K1296-S1300 PolarHBondContact O-OG 2.04Å
1297	I	69.1	Low	81.3	Confident	113 Å²	113	50.4 Å²	50.4	58%	0.579	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-60.4	-34.6	176.3	-134.1	161.2	0	0	0	111.9	H1275 F1277 T1299 S1300	H1275-I1297 PolarHBondContact ND1-O 3.49Å; F1277-I1297 HydrophobicContact CD1-CD1 4.29Å; F1277-I1297 HydrophobicContact CD1-CG1 4.26Å; F1277-I1297 HydrophobicContact CE1-CD1 3.76Å; F1277-I1297 HydrophobicContact CE1-CG1 3.81Å; I1297-T1299 PolarHBondContact O-N 3.32Å; I1297-S1300 PolarHBondContact O-N 2.94Å
1298	E	74.4	Confident	81.1	Confident	132 Å²	132	47 Å²	47	62%	0.617	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-57.1	-29.7	171.2	-65.6	155.3	-144.2	0	0	113.2	H1275 K1296	H1275-E1298 PolarHBondContact CE1-O 2.98Å; K1296-E1298 HydrophobicContact CB-CB 4.43Å; K1296-E1298 PolarHBondContact O-N 3.48Å
1299	T	79.5	Confident	81	Confident	24 Å²	24	42.3 Å²	42.3	15%	0.147	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-99.6	2.9	179	57	0	0	0	0	113.2	P1259 H1292 G1294 A1295 K1296 I1297 T1344	P1259-T1299 WeakPolarHBondContact CB-O 3.45Å; P1259-T1299 HydrophobicContact CG-CG2 4.28Å; H1292-T1299 PolarHBondContact CE1-O 3.43Å; H1292-T1299 PolarHBondContact ND1-O 3.09Å; G1294-T1299 WeakPolarHBondContact CA-OG1 3.28Å; G1294-T1299 PolarHBondContact N-O 2.93Å; A1295-T1299 PolarHBondContact N-OG1 3.42Å; K1296-T1299 PolarHBondContact N-OG1 3.29Å; K1296-T1299 CarbonylContact O-C 3.53Å; K1296-T1299 WeakPolarHBondContact O-CA 3.26Å; K1296-T1299 PolarHBondContact O-N 3.49Å; K1296-T1299 PolarHBondContact O-OG1 2.74Å; I1297-T1299 PolarHBondContact O-N 3.32Å; T1299-T1344 HydrophobicContact CG2-CG2 3.95Å
1300	S	85.4	Confident	80.8	Confident	11 Å²	11	41.5 Å²	41.5	8%	0.077	23%	0.227	C	C	.	.			trans	-100.6	96.7	175.7	-63.9	0	0	0	0	109.8	H1275 C1276 H1292 G1294 K1296 I1297	H1275-S1300 WeakPolarHBondContact CA-O 3.32Å; H1275-S1300 PolarHBondContact ND1-O 2.83Å; C1276-S1300 PolarHBondContact N-O 2.67Å; C1276-S1300 VanDerWaalsContact N-O 3.1Å; C1276-S1300 WeakPolarHBondContact O-CB 3.31Å; H1292-S1300 CarbonylContact O-C 3.55Å; H1292-S1300 WeakPolarHBondContact O-CA 3.37Å; G1294-S1300 PolarHBondContact N-OG 3.12Å; K1296-S1300 PolarHBondContact O-N 3.25Å; K1296-S1300 PolarHBondContact O-OG 2.04Å; I1297-S1300 PolarHBondContact O-N 2.94Å
1301	V	87.9	Confident	80.8	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.5	-164.8	-59.6	0	0	0	0	111.6	P1259 P1265 V1273 I1274 C1276 H1292 C1303	P1259-V1301 HydrophobicContact CB-CG2 4.03Å; P1259-V1301 HydrophobicContact CG-CG2 3.68Å; P1265-V1301 HydrophobicContact CB-CB 4.12Å; P1265-V1301 HydrophobicContact CB-CG2 3.87Å; P1265-V1301 HydrophobicContact CG-CG2 3.9Å; V1273-V1301 HydrophobicContact CG1-CB 3.95Å; V1273-V1301 HydrophobicContact CG1-CG1 3.58Å; I1274-V1301 WeakPolarHBondContact O-CA 3.18Å; C1276-V1301 PolarHBondContact SG-O 2.73Å; H1292-V1301 PolarHBondContact N-O 3.28Å; H1292-V1301 PolarHBondContact O-N 3.47Å; H1292-V1301 VanDerWaalsContact O-N 3.09Å; V1301-C1303 PolarHBondContact O-N 2.94Å
1302	C	88.5	Confident	80.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	116.9	174.3	-66	0	0	0	0	110.4	P1265 E1266 I1274 C1285 H1289	P1265-C1302 CarbonylContact C-O 3.55Å; P1265-C1302 WeakPolarHBondContact CA-O 3.2Å; E1266-C1302 HydrophobicContact CB-CB 3.62Å; E1266-C1302 PolarHBondContact N-O 3.36Å; E1266-C1302 WeakPolarHBondContact OE2-CB 3.18Å; I1274-C1302 HydrophobicContact CB-CB 4.44Å; I1274-C1302 PolarHBondContact O-N 3.29Å; C1285-C1302 WeakPolarHBondContact CA-SG 3.27Å; C1285-C1302 HydrophobicContact CB-CB 3.63Å; C1285-C1302 WeakPolarHBondContact CB-SG 3.22Å; C1285-C1302 WeakPolarHBondContact SG-CA 3.16Å; C1285-C1302 WeakPolarHBondContact SG-CB 3.28Å; C1285-C1302 CovalentContact SG-SG 2.03Å; C1285-C1302 PolarHBondContact SG-SG 2.8Å; H1289-C1302 HydrophobicContact CB-CB 4.37Å
1303	C	86.6	Confident	80.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.6	-177.5	-75.2	0	0	0	0	111.6	C1260 H1289 W1290 H1292 V1301	C1260-C1303 WeakPolarHBondContact CA-SG 3.48Å; C1260-C1303 HydrophobicContact CB-CB 3.66Å; C1260-C1303 WeakPolarHBondContact CB-SG 3.13Å; C1260-C1303 WeakPolarHBondContact SG-CA 3.4Å; C1260-C1303 WeakPolarHBondContact SG-CB 3.45Å; C1260-C1303 CovalentContact SG-SG 2.03Å; C1260-C1303 PolarHBondContact SG-SG 2.78Å; H1289-C1303 CarbonylContact C-O 3.58Å; H1289-C1303 WeakPolarHBondContact CA-O 3.2Å; H1289-C1303 WeakPolarHBondContact CB-O 3.03Å; W1290-C1303 HydrophobicContact CD2-CB 4.48Å; W1290-C1303 HydrophobicContact CZ2-CB 4.29Å; W1290-C1303 PolarHBondContact N-O 2.87Å; W1290-C1303 PolarHBondContact NE1-O 3.41Å; W1290-C1303 PolarHBondContact O-N 2.72Å; H1292-C1303 HydrophobicContact CB-CB 4.15Å; H1292-C1303 WeakPolarHBondContact CB-SG 3.42Å; V1301-C1303 PolarHBondContact O-N 2.94Å
1304	P	84.5	Confident	80.6	Confident	28 Å²	28	51.4 Å²	51.4	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	171.3	179.9	28.7	-33.5	0	0	0	111.8	Q1262 N1264 H1289 W1290	Q1262-P1304 WeakPolarHBondContact O-CG 3.16Å; N1264-P1304 WeakPolarHBondContact O-CD 3.47Å; N1264-P1304 WeakPolarHBondContact O-CG 3.15Å; H1289-P1304 VanDerWaalsContact CD2-N 3.33Å; W1290-P1304 PolarHBondContact NE1-O 2.83Å
1305	G	80.2	Confident	80.9	Confident	42 Å²	42	54.4 Å²	54.4	43%	0.433	30%	0.297	S	S	.	.			trans	79.4	36	179.1	0	0	0	0	0	112.5	D1288 V1307	D1288-G1305 PolarHBondContact O-N 3.02Å; G1305-V1307 PolarHBondContact O-N 2.99Å; G1305-V1307 VanDerWaalsContact O-N 3.15Å
1306	R	82.6	Confident	81.3	Confident	82 Å²	82	53.7 Å²	53.7	31%	0.309	29%	0.292	S	S	.	.			trans	-57	116.2	169.5	-178.2	-170.8	-171.3	116.7	7.6	109	D1282 Q1287 D1288 H1289 W1290	D1282-R1306 IonicContact OD2-CZ 2.94Å; D1282-R1306 IonicContact OD2-NH1 3.94Å; D1282-R1306 IonicContact OD2-NH2 3.14Å; D1282-R1306 PolarHBondContact OD2-NH2 3.27Å; Q1287-R1306 WeakPolarHBondContact O-CD 3.19Å; D1288-R1306 WeakPolarHBondContact O-CB 3.26Å; D1288-R1306 PolarHBondContact O-N 3.23Å; D1288-R1306 VanDerWaalsContact O-N 3.15Å; H1289-R1306 PolarHBondContact O-NH1 2.83Å; W1290-R1306 HydrophobicContact CB-CB 4.09Å; W1290-R1306 HydrophobicContact CB-CG 4.12Å
1307	V	76.9	Confident	81.5	Confident	61 Å²	61	52.6 Å²	52.6	37%	0.37	29%	0.294	S	S	.	.			trans	-99.5	140	166	-68.6	0	0	0	0	110.6	G1305 N1309 L1313 Q1348	G1305-V1307 PolarHBondContact O-N 2.99Å; G1305-V1307 VanDerWaalsContact O-N 3.15Å; V1307-N1309 PolarHBondContact O-N 2.82Å; V1307-L1313 HydrophobicContact CG2-CD1 3.73Å; V1307-L1313 HydrophobicContact CG2-CD2 4.17Å; V1307-L1313 HydrophobicContact CG2-CG 4.09Å; V1307-Q1348 PolarHBondContact O-NE2 2.9Å
1308	D	68	Low	81.9	Confident	87 Å²	87	48.6 Å²	48.6	47%	0.465	28%	0.281	S	S	.	.	S	Bend	trans	-65.6	-21.5	-179.3	-63.6	-46.3	0	0	0	113.8	T1402 Q1430	D1308-T1402 HydrophobicContact CB-CG2 3.29Å; D1308-Q1430 PolarHBondContact OD1-NE2 2.81Å; D1308-Q1430 PolarHBondContact OD2-NE2 3.43Å
1309	N	74.9	Confident	81.9	Confident	28 Å²	28	45 Å²	45	15%	0.15	27%	0.27	C	S	.	.			trans	-127.5	81.6	179.3	-172.6	10.1	0	0	0	111.5	V1307 C1311 Q1312	V1307-N1309 PolarHBondContact O-N 2.82Å; N1309-C1311 PolarHBondContact O-N 2.94Å; N1309-C1311 VanDerWaalsContact O-N 3.11Å; N1309-Q1312 VanDerWaalsContact ND2-CD 3.3Å; N1309-Q1312 WeakPolarHBondContact ND2-CG 3.49Å; N1309-Q1312 PolarHBondContact ND2-OE1 3.32Å; N1309-Q1312 VanDerWaalsContact ND2-OE1 3.07Å; N1309-Q1312 PolarHBondContact O-N 2.95Å
1310	P	81.2	Confident	81.6	Confident	26 Å²	26	46.2 Å²	46.2	17%	0.169	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-51.5	-34.2	177.4	-31.7	38.6	0	0	0	114.6	Q1312 L1313 Q1348 N1349 F1351	P1310-Q1312 PolarHBondContact O-N 2.78Å; P1310-L1313 WeakPolarHBondContact O-CB 3.41Å; P1310-L1313 WeakPolarHBondContact O-CG 3.24Å; P1310-L1313 PolarHBondContact O-N 3.43Å; P1310-Q1348 HydrophobicContact CB-CB 3.62Å; P1310-Q1348 WeakPolarHBondContact CB-O 3.19Å; P1310-Q1348 HydrophobicContact CG-CB 3.8Å; P1310-N1349 WeakPolarHBondContact O-CB 3.42Å; P1310-F1351 HydrophobicContact CB-CZ 4.16Å
1311	C	85.2	Confident	80.9	Confident	13 Å²	13	49.8 Å²	49.8	9%	0.088	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-67.1	-11	-169.1	-43.9	0	0	0	0	114.2	N1309 F1329 C1361	N1309-C1311 PolarHBondContact O-N 2.94Å; N1309-C1311 VanDerWaalsContact O-N 3.11Å; C1311-F1329 HydrophobicContact CB-CB 4.11Å; C1311-F1329 HydrophobicContact CB-CD1 3.93Å; C1311-F1329 HydrophobicContact CB-CG 4.12Å; C1311-F1329 WeakPolarHBondContact O-CD1 3.21Å; C1311-C1361 HydrophobicContact CB-CB 3.81Å; C1311-C1361 WeakPolarHBondContact CB-SG 3.07Å; C1311-C1361 WeakPolarHBondContact SG-CA 3.35Å; C1311-C1361 WeakPolarHBondContact SG-CB 3.42Å; C1311-C1361 CovalentContact SG-SG 2.03Å; C1311-C1361 PolarHBondContact SG-SG 3.31Å
1312	Q	82.3	Confident	80.2	Confident	128 Å²	128	53.8 Å²	53.8	60%	0.598	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-91	-10.9	174.5	-71.7	-179.9	-54.1	0	0	113.6	N1309 P1310	N1309-Q1312 VanDerWaalsContact ND2-CD 3.3Å; N1309-Q1312 WeakPolarHBondContact ND2-CG 3.49Å; N1309-Q1312 PolarHBondContact ND2-OE1 3.32Å; N1309-Q1312 VanDerWaalsContact ND2-OE1 3.07Å; N1309-Q1312 PolarHBondContact O-N 2.95Å; P1310-Q1312 PolarHBondContact O-N 2.78Å
1313	L	83.8	Confident	79.8	Confident	49 Å²	49	57.9 Å²	57.9	26%	0.257	37%	0.373	S	S	.	.	S	Bend	trans	-73.4	145.6	179.3	-59	170.7	0	0	0	110.9	V1307 P1310 N1347 Q1348 N1349	V1307-L1313 HydrophobicContact CG2-CD1 3.73Å; V1307-L1313 HydrophobicContact CG2-CD2 4.17Å; V1307-L1313 HydrophobicContact CG2-CG 4.09Å; P1310-L1313 WeakPolarHBondContact O-CB 3.41Å; P1310-L1313 WeakPolarHBondContact O-CG 3.24Å; P1310-L1313 PolarHBondContact O-N 3.43Å; L1313-N1347 HydrophobicContact CD1-CB 4.02Å; L1313-Q1348 HydrophobicContact CD1-CB 4.02Å; L1313-N1349 HydrophobicContact CB-CB 4.1Å; L1313-N1349 PolarHBondContact O-ND2 2.9Å
1314	P	86.2	Confident	79.6	Confident	100 Å²	100	60.2 Å²	60.2	65%	0.649	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-65.1	157.2	176.2	28.9	-35.9	0	0	0	111.6	A1316 N1347	P1314-A1316 PolarHBondContact O-N 2.8Å; P1314-A1316 VanDerWaalsContact O-N 3.14Å; P1314-N1347 PolarHBondContact O-ND2 3.1Å
1315	L	87.1	Confident	79.6	Confident	70 Å²	70	64.3 Å²	64.3	37%	0.366	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-57.2	117.4	172.8	170.4	58.9	0	0	0	111	V1317 Y1328 F1339	L1315-V1317 HydrophobicContact CD2-CG2 4.37Å; L1315-V1317 HydrophobicContact CG-CG2 4.23Å; L1315-Y1328 HydrophobicContact CB-CD2 3.94Å; L1315-Y1328 HydrophobicContact CB-CE2 3.83Å; L1315-Y1328 HydrophobicContact CB-CG 4.45Å; L1315-Y1328 HydrophobicContact CD1-CD1 3.79Å; L1315-Y1328 HydrophobicContact CD1-CD2 4.16Å; L1315-Y1328 HydrophobicContact CD1-CE1 4.14Å; L1315-Y1328 HydrophobicContact CD1-CE2 4.5Å; L1315-Y1328 HydrophobicContact CD1-CG 3.79Å; L1315-Y1328 HydrophobicContact CD2-CD1 4.46Å; L1315-Y1328 HydrophobicContact CD2-CE1 3.96Å; L1315-Y1328 HydrophobicContact CD2-CE2 4.38Å; L1315-Y1328 HydrophobicContact CG-CE1 4.49Å; L1315-Y1328 HydrophobicContact CG-CE2 4.45Å; L1315-F1339 HydrophobicContact CD1-CB 4.26Å; L1315-F1339 HydrophobicContact CD1-CD1 3.97Å; L1315-F1339 HydrophobicContact CD1-CD2 3.56Å; L1315-F1339 HydrophobicContact CD1-CE1 4.13Å; L1315-F1339 HydrophobicContact CD1-CE2 3.73Å; L1315-F1339 HydrophobicContact CD1-CG 3.67Å; L1315-F1339 HydrophobicContact CD1-CZ 4.01Å
1316	A	86.1	Confident	80.2	Confident	21 Å²	21	62.9 Å²	62.9	17%	0.174	39%	0.387	C	S	.	.			trans	-106	96.2	172.2	0	0	0	0	0	110.5	P1314 G1318 N1347	P1314-A1316 PolarHBondContact O-N 2.8Å; P1314-A1316 VanDerWaalsContact O-N 3.14Å; A1316-G1318 PolarHBondContact O-N 3.32Å; A1316-G1318 VanDerWaalsContact O-N 3.16Å; A1316-N1347 HydrophobicContact CB-CB 4.29Å
1317	V	80.6	Confident	80.6	Confident	88 Å²	88	61.9 Å²	61.9	53%	0.533	38%	0.383	S	S	.	.			trans	-57.9	-26.2	175.6	-177.7	0	0	0	0	112	L1315 Y1341 G1342	L1315-V1317 HydrophobicContact CD2-CG2 4.37Å; L1315-V1317 HydrophobicContact CG-CG2 4.23Å; V1317-Y1341 WeakPolarHBondContact O-CA 3.49Å; V1317-Y1341 VanDerWaalsContact O-CD2 3.32Å; V1317-Y1341 WeakPolarHBondContact O-CD2 3.12Å; V1317-G1342 PolarHBondContact O-N 3.49Å
1318	G	78.4	Confident	81.3	Confident	29 Å²	29	60.6 Å²	60.6	30%	0.299	37%	0.372	S	S	.	.			trans	80.2	-166.3	175.8	0	0	0	0	0	114.2	A1316 T1344	A1316-G1318 PolarHBondContact O-N 3.32Å; A1316-G1318 VanDerWaalsContact O-N 3.16Å; G1318-T1344 CarbonylContact C-O 3.58Å; G1318-T1344 VanDerWaalsContact CA-O 3.25Å; G1318-T1344 WeakPolarHBondContact CA-O 3.24Å
1319	S	75.1	Confident	82.3	Confident	56 Å²	56	57.4 Å²	57.4	39%	0.392	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-140.8	171	-179.2	-60.1	0	0	0	0	109.1	G1342 G1343 T1344	S1319-G1342 CarbonylContact C-O 3.47Å; S1319-G1342 CarbonylContact O-C 3.59Å; S1319-G1342 WeakPolarHBondContact O-CA 3.31Å; S1319-G1343 PolarHBondContact O-N 2.92Å; S1319-T1344 PolarHBondContact N-O 3.07Å; S1319-T1344 PolarHBondContact O-N 2.77Å; S1319-T1344 PolarHBondContact O-OG1 3.3Å
1320	G	71.8	Confident	82.8	Confident	49 Å²	49	57.7 Å²	57.7	51%	0.505	36%	0.355	S	S	.	.	S	Bend	trans	118.6	-1	170.1	0	0	0	0	0	116.7	H1322 G1342	G1320-H1322 PolarHBondContact O-CD2 2.87Å; G1320-H1322 PolarHBondContact O-N 3.46Å; G1320-G1342 CarbonylContact C-O 3.54Å; G1320-G1342 VanDerWaalsContact C-O 3.28Å; G1320-G1342 WeakPolarHBondContact CA-O 3.36Å
1321	G	71.2	Confident	82.4	Confident	86 Å²	86	59 Å²	59	89%	0.887	37%	0.374	S	S	*	.	S	Bend	trans	75.6	1.1	171.2	0	0	0	0	0	115.8	G1342	G1321-G1342 PolarHBondContact N-O 2.79Å
1322	H	73.6	Confident	81.9	Confident	87 Å²	87	67.5 Å²	67.5	40%	0.403	41%	0.412	S	S	.	.			trans	-88.6	161	168.2	-62.8	-88.8	0	0	0	110.5	A1295 G1320 L1324 G1342	A1295-H1322 HydrophobicContact CB-CB 3.91Å; A1295-H1322 WeakPolarHBondContact CB-CD2 3.23Å; G1320-H1322 PolarHBondContact O-CD2 2.87Å; G1320-H1322 PolarHBondContact O-N 3.46Å; H1322-L1324 HydrophobicContact CB-CD2 4.35Å; H1322-L1324 HydrophobicContact CB-CG 4.15Å; H1322-G1342 WeakPolarHBondContact CB-O 3.46Å; H1322-G1342 PolarHBondContact N-O 3.41Å; H1322-G1342 CarbonylContact O-C 3.21Å; H1322-G1342 VanDerWaalsContact O-CA 3.29Å; H1322-G1342 WeakPolarHBondContact O-CA 3.26Å
1323	S	80.6	Confident	81.7	Confident	85 Å²	85	65.2 Å²	65.2	59%	0.594	41%	0.407	S	S	*	.			trans	-129	76.5	176.7	-177.9	0	0	0	0	108.8	F1340	S1323-F1340 VanDerWaalsContact OG-CD1 3.3Å; S1323-F1340 WeakPolarHBondContact OG-CD1 3.04Å
1324	L	81.9	Confident	80.9	Confident	49 Å²	49	66.7 Å²	66.7	26%	0.257	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.6	-174.7	-55.5	176.4	0	0	0	110.2	A1295 H1322 R1326 F1340 Y1341	A1295-L1324 HydrophobicContact CB-CD1 3.97Å; H1322-L1324 HydrophobicContact CB-CD2 4.35Å; H1322-L1324 HydrophobicContact CB-CG 4.15Å; L1324-R1326 HydrophobicContact CB-CG 4.45Å; L1324-R1326 PolarHBondContact O-N 2.93Å; L1324-F1340 CarbonylContact O-C 3.57Å; L1324-F1340 WeakPolarHBondContact O-CA 3.44Å; L1324-Y1341 HydrophobicContact CD1-CD1 4.13Å; L1324-Y1341 PolarHBondContact N-O 3.14Å; L1324-Y1341 PolarHBondContact O-N 2.91Å
1325	N	84.4	Confident	80.4	Confident	114 Å²	114	65.1 Å²	65.1	61%	0.61	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	123.1	170.6	-72.9	-16.1	0	0	0	109.6	F1340	N1325-F1340 WeakPolarHBondContact OD1-CD1 3.47Å; N1325-F1340 WeakPolarHBondContact OD1-CE1 3.43Å
1326	R	91.9	Very high	80.4	Confident	12 Å²	12	62.2 Å²	62.2	5%	0.045	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166	178.6	-66.9	-65.3	-176.7	86.2	0.9	109.8	I1293 L1324 A1338 F1339 Y1341 N1350 F1351	I1293-R1326 PolarHBondContact O-NH1 3.13Å; I1293-R1326 PolarHBondContact O-NH2 2.87Å; L1324-R1326 HydrophobicContact CB-CG 4.45Å; L1324-R1326 PolarHBondContact O-N 2.93Å; R1326-A1338 CarbonylContact O-C 3.57Å; R1326-A1338 WeakPolarHBondContact O-CA 3.25Å; R1326-F1339 HydrophobicContact CB-CD1 4.03Å; R1326-F1339 HydrophobicContact CB-CE1 3.53Å; R1326-F1339 HydrophobicContact CB-CZ 3.85Å; R1326-F1339 PolarHBondContact N-O 2.89Å; R1326-F1339 WeakPolarHBondContact O-CD1 3.43Å; R1326-F1339 PolarHBondContact O-N 3.2Å; R1326-F1339 VanDerWaalsContact O-O 3.12Å; R1326-Y1341 HydrophobicContact CG-CD1 4.19Å; R1326-Y1341 HydrophobicContact CG-CG 4.21Å; R1326-N1350 VanDerWaalsContact CB-OD1 3.3Å; R1326-N1350 WeakPolarHBondContact CB-OD1 3.29Å; R1326-N1350 VanDerWaalsContact CD-OD1 3.28Å; R1326-N1350 WeakPolarHBondContact CD-OD1 3.37Å; R1326-N1350 WeakPolarHBondContact CG-OD1 3.42Å; R1326-N1350 PolarHBondContact NH1-OD1 2.79Å; R1326-F1351 WeakPolarHBondContact CA-O 3.27Å; R1326-F1351 WeakPolarHBondContact CD-O 3.23Å
1327	W	90.9	Very high	80.5	Confident	61 Å²	61	63.7 Å²	63.7	23%	0.231	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.3	178.8	-65.6	81.8	0	0	0	110	V1337 A1338 F1351 T1353 Q1354 C1357	W1327-V1337 WeakPolarHBondContact CA-O 3.48Å; W1327-V1337 VanDerWaalsContact CE3-C 3.45Å; W1327-A1338 HydrophobicContact CD2-CB 3.98Å; W1327-A1338 HydrophobicContact CE3-CB 3.96Å; W1327-A1338 VanDerWaalsContact CE3-N 3.31Å; W1327-A1338 HydrophobicContact CH2-CB 3.9Å; W1327-A1338 HydrophobicContact CZ2-CB 3.89Å; W1327-A1338 HydrophobicContact CZ3-CB 3.92Å; W1327-F1351 HydrophobicContact CB-CB 4.46Å; W1327-F1351 PolarHBondContact N-O 3.47Å; W1327-F1351 WeakPolarHBondContact O-CD2 3.48Å; W1327-F1351 PolarHBondContact O-N 3.18Å; W1327-T1353 VanDerWaalsContact CD1-C 3.42Å; W1327-Q1354 HydrophobicContact CD2-CB 3.68Å; W1327-Q1354 HydrophobicContact CD2-CG 3.99Å; W1327-Q1354 HydrophobicContact CE3-CB 3.86Å; W1327-Q1354 HydrophobicContact CE3-CG 3.62Å; W1327-Q1354 HydrophobicContact CG-CB 4.24Å; W1327-Q1354 HydrophobicContact CH2-CB 4.02Å; W1327-Q1354 HydrophobicContact CH2-CG 3.96Å; W1327-Q1354 VanDerWaalsContact CH2-OE1 3.26Å; W1327-Q1354 HydrophobicContact CZ2-CB 3.85Å; W1327-Q1354 HydrophobicContact CZ2-CG 4.31Å; W1327-Q1354 HydrophobicContact CZ3-CB 4.03Å; W1327-Q1354 VanDerWaalsContact CZ3-CD 3.41Å; W1327-Q1354 HydrophobicContact CZ3-CG 3.6Å; W1327-C1357 HydrophobicContact CB-CB 4.01Å
1328	Y	92.1	Very high	80.9	Confident	35 Å²	35	62.3 Å²	62.3	14%	0.137	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.5	173	84.8	-75.8	0	0	0	110.1	L1315 N1330 C1336 V1337 F1339 N1349	L1315-Y1328 HydrophobicContact CB-CD2 3.94Å; L1315-Y1328 HydrophobicContact CB-CE2 3.83Å; L1315-Y1328 HydrophobicContact CB-CG 4.45Å; L1315-Y1328 HydrophobicContact CD1-CD1 3.79Å; L1315-Y1328 HydrophobicContact CD1-CD2 4.16Å; L1315-Y1328 HydrophobicContact CD1-CE1 4.14Å; L1315-Y1328 HydrophobicContact CD1-CE2 4.5Å; L1315-Y1328 HydrophobicContact CD1-CG 3.79Å; L1315-Y1328 HydrophobicContact CD2-CD1 4.46Å; L1315-Y1328 HydrophobicContact CD2-CE1 3.96Å; L1315-Y1328 HydrophobicContact CD2-CE2 4.38Å; L1315-Y1328 HydrophobicContact CG-CE1 4.49Å; L1315-Y1328 HydrophobicContact CG-CE2 4.45Å; Y1328-N1330 HydrophobicContact CE2-CB 3.8Å; Y1328-C1336 CarbonylContact O-C 3.31Å; Y1328-C1336 WeakPolarHBondContact O-CA 3.33Å; Y1328-V1337 HydrophobicContact CD1-CB 4.27Å; Y1328-V1337 VanDerWaalsContact CD1-O 3.29Å; Y1328-V1337 WeakPolarHBondContact CD1-O 3.47Å; Y1328-V1337 HydrophobicContact CE1-CB 3.8Å; Y1328-V1337 HydrophobicContact CE1-CG1 4.11Å; Y1328-V1337 PolarHBondContact N-O 2.78Å; Y1328-V1337 PolarHBondContact O-N 3.45Å; Y1328-F1339 HydrophobicContact CD1-CB 4.27Å; Y1328-F1339 AromaticContact CD1-CD1 3.76Å; Y1328-F1339 HydrophobicContact CD1-CD1 3.76Å; Y1328-F1339 HydrophobicContact CD1-CE1 4.45Å; Y1328-F1339 HydrophobicContact CD1-CG 4.25Å; Y1328-F1339 HydrophobicContact CG-CD1 4.3Å; Y1328-N1349 WeakPolarHBondContact CB-O 3.34Å
1329	F	89.2	Confident	81.5	Confident	20 Å²	20	61.8 Å²	61.8	9%	0.088	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.8	173	-172.7	-100.5	0	0	0	110.3	C1311 G1331 N1334 N1349 C1361 I1362	C1311-F1329 HydrophobicContact CB-CB 4.11Å; C1311-F1329 HydrophobicContact CB-CD1 3.93Å; C1311-F1329 HydrophobicContact CB-CG 4.12Å; C1311-F1329 WeakPolarHBondContact O-CD1 3.21Å; F1329-G1331 PolarHBondContact O-N 2.95Å; F1329-N1334 HydrophobicContact CZ-CB 4.42Å; F1329-N1334 WeakPolarHBondContact CZ-OD1 3.43Å; F1329-N1349 PolarHBondContact N-OD1 3.14Å; F1329-N1349 PolarHBondContact O-ND2 2.03Å; F1329-C1361 HydrophobicContact CB-CB 4.12Å; F1329-C1361 HydrophobicContact CD2-CB 3.58Å; F1329-C1361 HydrophobicContact CE2-CB 4.11Å; F1329-C1361 HydrophobicContact CG-CB 3.88Å; F1329-I1362 HydrophobicContact CE2-CD1 4.5Å; F1329-I1362 HydrophobicContact CE2-CG1 4.15Å
1330	N	86.2	Confident	82.1	Confident	34 Å²	34	65.3 Å²	65.3	18%	0.182	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	103.3	172.3	-177.9	-10.6	0	0	0	109.5	Y1328 Q1332 T1333 N1334 T1335 V1337	Y1328-N1330 HydrophobicContact CE2-CB 3.8Å; N1330-Q1332 PolarHBondContact O-N 2.03Å; N1330-Q1332 WeakPolarHBondContact OD1-CB 3.44Å; N1330-Q1332 PolarHBondContact OD1-N 2.79Å; N1330-T1333 WeakPolarHBondContact CB-OG1 3.43Å; N1330-T1333 PolarHBondContact ND2-OG1 3.29Å; N1330-T1333 PolarHBondContact O-N 3.27Å; N1330-T1333 PolarHBondContact O-OG1 3.38Å; N1330-N1334 WeakPolarHBondContact O-CA 3.36Å; N1330-N1334 PolarHBondContact O-N 3.42Å; N1330-T1335 PolarHBondContact N-O 2.68Å; N1330-T1335 PolarHBondContact O-N 3.38Å; N1330-V1337 HydrophobicContact CB-CG2 4.1Å
1331	G	72.7	Confident	82.7	Confident	54 Å²	54	63 Å²	63	56%	0.557	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.6	-179.8	0	0	0	0	0	115.7	F1329	F1329-G1331 PolarHBondContact O-N 2.95Å
1332	Q	73.4	Confident	83.1	Confident	190 Å²	190	59.5 Å²	59.5	89%	0.888	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-38.1	175.5	-64.8	-174.7	-13.7	0	0	112.4	N1330	N1330-Q1332 PolarHBondContact O-N 2.03Å; N1330-Q1332 WeakPolarHBondContact OD1-CB 3.44Å; N1330-Q1332 PolarHBondContact OD1-N 2.79Å
1333	T	79.3	Confident	83.4	Confident	80 Å²	80	55.3 Å²	55.3	49%	0.491	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.8	176.7	57.4	0	0	0	0	112.6	N1330 T1335	N1330-T1333 WeakPolarHBondContact CB-OG1 3.43Å; N1330-T1333 PolarHBondContact ND2-OG1 3.29Å; N1330-T1333 PolarHBondContact O-N 3.27Å; N1330-T1333 PolarHBondContact O-OG1 3.38Å; T1333-T1335 VanDerWaalsContact C-N 3.26Å; T1333-T1335 WeakPolarHBondContact CB-OG1 3.43Å; T1333-T1335 PolarHBondContact O-N 2.78Å; T1333-T1335 PolarHBondContact OG1-OG1 3.4Å
1334	N	65.7	Low	83.6	Confident	81 Å²	81	52.4 Å²	52.4	43%	0.433	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	35.9	-177.5	-152.8	66.1	0	0	0	112.7	F1329 N1330	F1329-N1334 HydrophobicContact CZ-CB 4.42Å; F1329-N1334 WeakPolarHBondContact CZ-OD1 3.43Å; N1330-N1334 WeakPolarHBondContact O-CA 3.36Å; N1330-N1334 PolarHBondContact O-N 3.42Å
1335	T	76.3	Confident	83.7	Confident	66 Å²	66	54.5 Å²	54.5	41%	0.405	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.9	-175.4	52.5	0	0	0	0	112.3	N1330 T1333	N1330-T1335 PolarHBondContact N-O 2.68Å; N1330-T1335 PolarHBondContact O-N 3.38Å; T1333-T1335 VanDerWaalsContact C-N 3.26Å; T1333-T1335 WeakPolarHBondContact CB-OG1 3.43Å; T1333-T1335 PolarHBondContact O-N 2.78Å; T1333-T1335 PolarHBondContact OG1-OG1 3.4Å
1336	C	86.6	Confident	83.5	Confident	10 Å²	10	49 Å²	49	7%	0.068	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.3	168.3	-72.7	0	0	0	0	110.8	Y1328 Q1354 C1357 N1358	Y1328-C1336 CarbonylContact O-C 3.31Å; Y1328-C1336 WeakPolarHBondContact O-CA 3.33Å; C1336-Q1354 HydrophobicContact CB-CG 4.41Å; C1336-C1357 HydrophobicContact CB-CB 3.74Å; C1336-C1357 WeakPolarHBondContact CB-SG 3.36Å; C1336-C1357 WeakPolarHBondContact SG-CB 3.3Å; C1336-C1357 PolarHBondContact SG-O 3.38Å; C1336-C1357 CovalentContact SG-SG 2.03Å; C1336-C1357 PolarHBondContact SG-SG 3.29Å; C1336-N1358 WeakPolarHBondContact CB-OD1 3.35Å; C1336-N1358 PolarHBondContact SG-OD1 3.13Å; C1336-N1358 VanDerWaalsContact SG-OD1 3.41Å
1337	V	87.6	Confident	83.3	Confident	52 Å²	52	49.8 Å²	49.8	32%	0.315	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.9	-174.8	-177.1	0	0	0	0	109.5	W1327 Y1328 N1330	W1327-V1337 WeakPolarHBondContact CA-O 3.48Å; W1327-V1337 VanDerWaalsContact CE3-C 3.45Å; Y1328-V1337 HydrophobicContact CD1-CB 4.27Å; Y1328-V1337 VanDerWaalsContact CD1-O 3.29Å; Y1328-V1337 WeakPolarHBondContact CD1-O 3.47Å; Y1328-V1337 HydrophobicContact CE1-CB 3.8Å; Y1328-V1337 HydrophobicContact CE1-CG1 4.11Å; Y1328-V1337 PolarHBondContact N-O 2.78Å; Y1328-V1337 PolarHBondContact O-N 3.45Å; N1330-V1337 HydrophobicContact CB-CG2 4.1Å
1338	A	89.3	Confident	83.2	Confident	58 Å²	58	48 Å²	48	48%	0.479	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.8	177.1	0	0	0	0	0	111.8	R1326 W1327	R1326-A1338 CarbonylContact O-C 3.57Å; R1326-A1338 WeakPolarHBondContact O-CA 3.25Å; W1327-A1338 HydrophobicContact CD2-CB 3.98Å; W1327-A1338 HydrophobicContact CE3-CB 3.96Å; W1327-A1338 VanDerWaalsContact CE3-N 3.31Å; W1327-A1338 HydrophobicContact CH2-CB 3.9Å; W1327-A1338 HydrophobicContact CZ2-CB 3.89Å; W1327-A1338 HydrophobicContact CZ3-CB 3.92Å
1339	F	92.3	Very high	83.1	Confident	18 Å²	18	46.4 Å²	46.4	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	165.4	172.9	79.3	-76.3	0	0	0	111.4	L1315 R1326 Y1328 Y1341 N1350	L1315-F1339 HydrophobicContact CD1-CB 4.26Å; L1315-F1339 HydrophobicContact CD1-CD1 3.97Å; L1315-F1339 HydrophobicContact CD1-CD2 3.56Å; L1315-F1339 HydrophobicContact CD1-CE1 4.13Å; L1315-F1339 HydrophobicContact CD1-CE2 3.73Å; L1315-F1339 HydrophobicContact CD1-CG 3.67Å; L1315-F1339 HydrophobicContact CD1-CZ 4.01Å; R1326-F1339 HydrophobicContact CB-CD1 4.03Å; R1326-F1339 HydrophobicContact CB-CE1 3.53Å; R1326-F1339 HydrophobicContact CB-CZ 3.85Å; R1326-F1339 PolarHBondContact N-O 2.89Å; R1326-F1339 WeakPolarHBondContact O-CD1 3.43Å; R1326-F1339 PolarHBondContact O-N 3.2Å; R1326-F1339 VanDerWaalsContact O-O 3.12Å; Y1328-F1339 HydrophobicContact CD1-CB 4.27Å; Y1328-F1339 AromaticContact CD1-CD1 3.76Å; Y1328-F1339 HydrophobicContact CD1-CD1 3.76Å; Y1328-F1339 HydrophobicContact CD1-CE1 4.45Å; Y1328-F1339 HydrophobicContact CD1-CG 4.25Å; Y1328-F1339 HydrophobicContact CG-CD1 4.3Å; F1339-Y1341 HydrophobicContact CE2-CD2 4.15Å; F1339-Y1341 HydrophobicContact CE2-CG 4.35Å; F1339-Y1341 HydrophobicContact CZ-CD2 4.47Å; F1339-N1350 HydrophobicContact CZ-CB 4.25Å
1340	F	86.1	Confident	83.2	Confident	131 Å²	131	46.5 Å²	46.5	58%	0.575	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.9	173.5	-62.8	-73.4	0	0	0	110.3	S1323 L1324 N1325	S1323-F1340 VanDerWaalsContact OG-CD1 3.3Å; S1323-F1340 WeakPolarHBondContact OG-CD1 3.04Å; L1324-F1340 CarbonylContact O-C 3.57Å; L1324-F1340 WeakPolarHBondContact O-CA 3.44Å; N1325-F1340 WeakPolarHBondContact OD1-CD1 3.47Å; N1325-F1340 WeakPolarHBondContact OD1-CE1 3.43Å
1341	Y	86	Confident	83.2	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.2	-178	176.5	-124.3	0	0	0	112.4	H1292 V1317 L1324 R1326 F1339 G1343 T1344 G1346 N1350	H1292-Y1341 AromaticContact NE2-CZ 3.98Å; H1292-Y1341 PolarHBondContact NE2-OH 3.31Å; V1317-Y1341 WeakPolarHBondContact O-CA 3.49Å; V1317-Y1341 VanDerWaalsContact O-CD2 3.32Å; V1317-Y1341 WeakPolarHBondContact O-CD2 3.12Å; L1324-Y1341 HydrophobicContact CD1-CD1 4.13Å; L1324-Y1341 PolarHBondContact N-O 3.14Å; L1324-Y1341 PolarHBondContact O-N 2.91Å; R1326-Y1341 HydrophobicContact CG-CD1 4.19Å; R1326-Y1341 HydrophobicContact CG-CG 4.21Å; F1339-Y1341 HydrophobicContact CE2-CD2 4.15Å; F1339-Y1341 HydrophobicContact CE2-CG 4.35Å; F1339-Y1341 HydrophobicContact CZ-CD2 4.47Å; Y1341-G1343 VanDerWaalsContact C-N 3.3Å; Y1341-G1343 PolarHBondContact O-N 2.88Å; Y1341-T1344 VanDerWaalsContact OH-CA 3.29Å; Y1341-T1344 WeakPolarHBondContact OH-CA 3.39Å; Y1341-T1344 PolarHBondContact OH-N 2.83Å; Y1341-T1344 PolarHBondContact OH-O 2.89Å; Y1341-G1346 VanDerWaalsContact CE2-CA 3.49Å; Y1341-G1346 WeakPolarHBondContact OH-CA 3.38Å; Y1341-G1346 PolarHBondContact OH-N 2.85Å; Y1341-N1350 WeakPolarHBondContact CD1-ND2 3.21Å; Y1341-N1350 VanDerWaalsContact CD2-ND2 3.28Å; Y1341-N1350 WeakPolarHBondContact CD2-ND2 3.06Å; Y1341-N1350 WeakPolarHBondContact CE1-ND2 3.05Å; Y1341-N1350 WeakPolarHBondContact CE2-ND2 3.15Å; Y1341-N1350 VanDerWaalsContact CG-ND2 3.35Å
1342	G	79.1	Confident	83.6	Confident	11 Å²	11	47.8 Å²	47.8	11%	0.113	25%	0.253	C	S	.	.			trans	-64.8	-22.2	-175	0	0	0	0	0	116.5	V1317 S1319 G1320 G1321 H1322	V1317-G1342 PolarHBondContact O-N 3.49Å; S1319-G1342 CarbonylContact C-O 3.47Å; S1319-G1342 CarbonylContact O-C 3.59Å; S1319-G1342 WeakPolarHBondContact O-CA 3.31Å; G1320-G1342 CarbonylContact C-O 3.54Å; G1320-G1342 VanDerWaalsContact C-O 3.28Å; G1320-G1342 WeakPolarHBondContact CA-O 3.36Å; G1321-G1342 PolarHBondContact N-O 2.79Å; H1322-G1342 WeakPolarHBondContact CB-O 3.46Å; H1322-G1342 PolarHBondContact N-O 3.41Å; H1322-G1342 CarbonylContact O-C 3.21Å; H1322-G1342 VanDerWaalsContact O-CA 3.29Å; H1322-G1342 WeakPolarHBondContact O-CA 3.26Å
1343	G	80.6	Confident	84.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	105	-17.2	-179.8	0	0	0	0	0	116.3	G1294 A1295 S1319 Y1341	G1294-G1343 WeakPolarHBondContact CA-O 3.43Å; A1295-G1343 PolarHBondContact N-O 3.07Å; S1319-G1343 PolarHBondContact O-N 2.92Å; Y1341-G1343 VanDerWaalsContact C-N 3.3Å; Y1341-G1343 PolarHBondContact O-N 2.88Å
1344	T	84.4	Confident	84.4	Confident	23 Å²	23	40.7 Å²	40.7	14%	0.141	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-142.4	164.1	172.2	63.6	0	0	0	0	111.4	P1259 T1299 G1318 S1319 Y1341 G1346	P1259-T1344 HydrophobicContact CB-CG2 4.48Å; T1299-T1344 HydrophobicContact CG2-CG2 3.95Å; G1318-T1344 CarbonylContact C-O 3.58Å; G1318-T1344 VanDerWaalsContact CA-O 3.25Å; G1318-T1344 WeakPolarHBondContact CA-O 3.24Å; S1319-T1344 PolarHBondContact N-O 3.07Å; S1319-T1344 PolarHBondContact O-N 2.77Å; S1319-T1344 PolarHBondContact O-OG1 3.3Å; Y1341-T1344 VanDerWaalsContact OH-CA 3.29Å; Y1341-T1344 WeakPolarHBondContact OH-CA 3.39Å; Y1341-T1344 PolarHBondContact OH-N 2.83Å; Y1341-T1344 PolarHBondContact OH-O 2.89Å; T1344-G1346 PolarHBondContact O-N 2.83Å
1345	R	82.9	Confident	84.8	Confident	93 Å²	93	42.8 Å²	42.8	35%	0.351	22%	0.224	S	C	.	.	S	Bend	trans	57.8	30.5	177.2	-59.4	-173.3	177.9	149.3	2.7	115	P1259	P1259-R1345 WeakPolarHBondContact O-CA 3.29Å; P1259-R1345 PolarHBondContact O-N 3.48Å
1346	G	81.2	Confident	84.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.			trans	-75.1	166.8	162.2	0	0	0	0	0	111.5	Y1341 T1344	Y1341-G1346 VanDerWaalsContact CE2-CA 3.49Å; Y1341-G1346 WeakPolarHBondContact OH-CA 3.38Å; Y1341-G1346 PolarHBondContact OH-N 2.85Å; T1344-G1346 PolarHBondContact O-N 2.83Å
1347	N	87.4	Confident	84.5	Confident	28 Å²	28	43 Å²	43	15%	0.15	22%	0.22	C	C	.	.			trans	-111.5	-177.8	167.5	67.9	22.3	0	0	0	109.2	L1313 P1314 A1316 N1349 N1350	L1313-N1347 HydrophobicContact CD1-CB 4.02Å; P1314-N1347 PolarHBondContact O-ND2 3.1Å; A1316-N1347 HydrophobicContact CB-CB 4.29Å; N1347-N1349 PolarHBondContact O-N 2.93Å; N1347-N1349 PolarHBondContact OD1-N 3.34Å; N1347-N1349 VanDerWaalsContact OD1-N 3.08Å; N1347-N1350 VanDerWaalsContact O-CB 3.25Å; N1347-N1350 WeakPolarHBondContact O-CB 3.5Å
1348	Q	88.5	Confident	83.9	Confident	24 Å²	24	42.7 Å²	42.7	11%	0.112	22%	0.216	C	C	.	.	S	Bend	trans	-69.5	-12.1	-175.4	-68.1	169.5	-83.4	0	0	114.7	W1290 V1307 P1310 L1313 N1350	W1290-Q1348 HydrophobicContact CB-CG 4.21Å; W1290-Q1348 HydrophobicContact CD2-CG 3.27Å; W1290-Q1348 HydrophobicContact CE3-CB 4.48Å; W1290-Q1348 HydrophobicContact CE3-CG 3.4Å; W1290-Q1348 VanDerWaalsContact CE3-CG 3.4Å; W1290-Q1348 HydrophobicContact CG-CG 3.63Å; W1290-Q1348 HydrophobicContact CH2-CG 4.19Å; W1290-Q1348 HydrophobicContact CZ2-CG 4.12Å; W1290-Q1348 HydrophobicContact CZ3-CG 3.85Å; V1307-Q1348 PolarHBondContact O-NE2 2.9Å; P1310-Q1348 HydrophobicContact CB-CB 3.62Å; P1310-Q1348 WeakPolarHBondContact CB-O 3.19Å; P1310-Q1348 HydrophobicContact CG-CB 3.8Å; L1313-Q1348 HydrophobicContact CD1-CB 4.02Å; Q1348-N1350 PolarHBondContact O-N 2.84Å
1349	N	90.5	Very high	82.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-80.5	55.8	174.9	-161.7	3.6	0	0	0	110.6	P1310 L1313 Y1328 F1329 N1347	P1310-N1349 WeakPolarHBondContact O-CB 3.42Å; L1313-N1349 HydrophobicContact CB-CB 4.1Å; L1313-N1349 PolarHBondContact O-ND2 2.9Å; Y1328-N1349 WeakPolarHBondContact CB-O 3.34Å; F1329-N1349 PolarHBondContact N-OD1 3.14Å; F1329-N1349 PolarHBondContact O-ND2 2.03Å; N1347-N1349 PolarHBondContact O-N 2.93Å; N1347-N1349 PolarHBondContact OD1-N 3.34Å; N1347-N1349 VanDerWaalsContact OD1-N 3.08Å
1350	N	90.1	Very high	81.6	Confident	22 Å²	22	46.6 Å²	46.6	12%	0.118	24%	0.235	C	C	.	.			trans	-154.2	83.7	-167.8	-177.3	-13.6	0	0	0	109.6	R1326 F1339 Y1341 N1347 Q1348	R1326-N1350 VanDerWaalsContact CB-OD1 3.3Å; R1326-N1350 WeakPolarHBondContact CB-OD1 3.29Å; R1326-N1350 VanDerWaalsContact CD-OD1 3.28Å; R1326-N1350 WeakPolarHBondContact CD-OD1 3.37Å; R1326-N1350 WeakPolarHBondContact CG-OD1 3.42Å; R1326-N1350 PolarHBondContact NH1-OD1 2.79Å; F1339-N1350 HydrophobicContact CZ-CB 4.25Å; Y1341-N1350 WeakPolarHBondContact CD1-ND2 3.21Å; Y1341-N1350 VanDerWaalsContact CD2-ND2 3.28Å; Y1341-N1350 WeakPolarHBondContact CD2-ND2 3.06Å; Y1341-N1350 WeakPolarHBondContact CE1-ND2 3.05Å; Y1341-N1350 WeakPolarHBondContact CE2-ND2 3.15Å; Y1341-N1350 VanDerWaalsContact CG-ND2 3.35Å; N1347-N1350 VanDerWaalsContact O-CB 3.25Å; N1347-N1350 WeakPolarHBondContact O-CB 3.5Å; Q1348-N1350 PolarHBondContact O-N 2.84Å
1351	F	87.3	Confident	81.1	Confident	25 Å²	25	41.5 Å²	41.5	11%	0.11	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-95.6	151.6	-175.7	-53.5	-80.2	0	0	0	111	P1310 R1326 W1327 E1356 C1357 A1360	P1310-F1351 HydrophobicContact CB-CZ 4.16Å; R1326-F1351 WeakPolarHBondContact CA-O 3.27Å; R1326-F1351 WeakPolarHBondContact CD-O 3.23Å; W1327-F1351 HydrophobicContact CB-CB 4.46Å; W1327-F1351 PolarHBondContact N-O 3.47Å; W1327-F1351 WeakPolarHBondContact O-CD2 3.48Å; W1327-F1351 PolarHBondContact O-N 3.18Å; F1351-E1356 HydrophobicContact CB-CB 4.13Å; F1351-C1357 HydrophobicContact CB-CB 3.86Å; F1351-C1357 HydrophobicContact CD2-CB 3.48Å; F1351-C1357 VanDerWaalsContact CD2-CB 3.48Å; F1351-C1357 VanDerWaalsContact CD2-SG 3.58Å; F1351-C1357 HydrophobicContact CE2-CB 4.22Å; F1351-C1357 HydrophobicContact CG-CB 3.76Å; F1351-A1360 HydrophobicContact CD1-CB 4.11Å; F1351-A1360 HydrophobicContact CE1-CB 3.35Å; F1351-A1360 HydrophobicContact CZ-CB 3.71Å
1352	L	81.4	Confident	80.2	Confident	90 Å²	90	45.8 Å²	45.8	47%	0.471	24%	0.237	S	C	.	.	S	Bend	trans	-77.7	-35.7	-178.5	-173.8	62.1	0	0	0	111.4	E1356	L1352-E1356 WeakPolarHBondContact CA-OE2 3.25Å; L1352-E1356 VanDerWaalsContact CB-OE2 3.25Å; L1352-E1356 WeakPolarHBondContact CB-OE2 3.25Å; L1352-E1356 PolarHBondContact N-OE2 3.24Å
1353	T	85.7	Confident	79	Confident	50 Å²	50	49.2 Å²	49.2	31%	0.307	26%	0.256	S	S	.	.	S	Bend	trans	-123	160.3	179.8	64.4	0	0	0	0	112.5	W1327 E1355 E1356 C1357	W1327-T1353 VanDerWaalsContact CD1-C 3.42Å; T1353-E1355 PolarHBondContact O-N 2.03Å; T1353-E1356 PolarHBondContact N-OE2 2.93Å; T1353-E1356 PolarHBondContact O-N 3.48Å; T1353-E1356 WeakPolarHBondContact OG1-CB 3.45Å; T1353-E1356 WeakPolarHBondContact OG1-CG 3.18Å; T1353-E1356 PolarHBondContact OG1-N 3.19Å; T1353-C1357 PolarHBondContact O-N 2.79Å; T1353-C1357 VanDerWaalsContact O-N 3.13Å
1354	Q	83.7	Confident	77.5	Confident	70 Å²	70	51.4 Å²	51.4	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-34.6	173.2	-167.1	178.1	-1.1	0	0	110.2	W1327 C1336 C1357 N1358	W1327-Q1354 HydrophobicContact CD2-CB 3.68Å; W1327-Q1354 HydrophobicContact CD2-CG 3.99Å; W1327-Q1354 HydrophobicContact CE3-CB 3.86Å; W1327-Q1354 HydrophobicContact CE3-CG 3.62Å; W1327-Q1354 HydrophobicContact CG-CB 4.24Å; W1327-Q1354 HydrophobicContact CH2-CB 4.02Å; W1327-Q1354 HydrophobicContact CH2-CG 3.96Å; W1327-Q1354 VanDerWaalsContact CH2-OE1 3.26Å; W1327-Q1354 HydrophobicContact CZ2-CB 3.85Å; W1327-Q1354 HydrophobicContact CZ2-CG 4.31Å; W1327-Q1354 HydrophobicContact CZ3-CB 4.03Å; W1327-Q1354 VanDerWaalsContact CZ3-CD 3.41Å; W1327-Q1354 HydrophobicContact CZ3-CG 3.6Å; C1336-Q1354 HydrophobicContact CB-CG 4.41Å; Q1354-C1357 PolarHBondContact O-N 2.88Å; Q1354-N1358 VanDerWaalsContact O-CB 3.24Å; Q1354-N1358 WeakPolarHBondContact O-CB 3.34Å; Q1354-N1358 PolarHBondContact O-N 2.89Å; Q1354-N1358 PolarHBondContact O-ND2 3.37Å; Q1354-N1358 PolarHBondContact O-OD1 3.26Å
1355	E	73	Confident	76	Confident	125 Å²	125	53.5 Å²	53.5	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-66.8	-39.1	177.8	-66.6	65.6	-145.7	0	0	111.8	T1353 Q1359	T1353-E1355 PolarHBondContact O-N 2.03Å; E1355-Q1359 VanDerWaalsContact O-CB 3.3Å; E1355-Q1359 WeakPolarHBondContact O-CB 3.35Å; E1355-Q1359 WeakPolarHBondContact O-CG 3.42Å; E1355-Q1359 PolarHBondContact O-N 2.99Å
1356	E	73.2	Confident	74.9	Confident	82 Å²	82	57.1 Å²	57.1	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-45	170.3	-83.9	176.7	170.1	0	0	111.8	F1351 L1352 T1353 Q1359 A1360	F1351-E1356 HydrophobicContact CB-CB 4.13Å; L1352-E1356 WeakPolarHBondContact CA-OE2 3.25Å; L1352-E1356 VanDerWaalsContact CB-OE2 3.25Å; L1352-E1356 WeakPolarHBondContact CB-OE2 3.25Å; L1352-E1356 PolarHBondContact N-OE2 3.24Å; T1353-E1356 PolarHBondContact N-OE2 2.93Å; T1353-E1356 PolarHBondContact O-N 3.48Å; T1353-E1356 WeakPolarHBondContact OG1-CB 3.45Å; T1353-E1356 WeakPolarHBondContact OG1-CG 3.18Å; T1353-E1356 PolarHBondContact OG1-N 3.19Å; E1356-Q1359 PolarHBondContact O-N 3.08Å; E1356-A1360 VanDerWaalsContact O-CB 3.3Å; E1356-A1360 WeakPolarHBondContact O-CB 3.49Å; E1356-A1360 PolarHBondContact O-N 2.03Å
1357	C	84.1	Confident	74.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-44.4	176	-177.3	0	0	0	0	111.2	W1327 C1336 F1351 T1353 Q1354 Q1359 A1360 C1361	W1327-C1357 HydrophobicContact CB-CB 4.01Å; C1336-C1357 HydrophobicContact CB-CB 3.74Å; C1336-C1357 WeakPolarHBondContact CB-SG 3.36Å; C1336-C1357 WeakPolarHBondContact SG-CB 3.3Å; C1336-C1357 PolarHBondContact SG-O 3.38Å; C1336-C1357 CovalentContact SG-SG 2.03Å; C1336-C1357 PolarHBondContact SG-SG 3.29Å; F1351-C1357 HydrophobicContact CB-CB 3.86Å; F1351-C1357 HydrophobicContact CD2-CB 3.48Å; F1351-C1357 VanDerWaalsContact CD2-CB 3.48Å; F1351-C1357 VanDerWaalsContact CD2-SG 3.58Å; F1351-C1357 HydrophobicContact CE2-CB 4.22Å; F1351-C1357 HydrophobicContact CG-CB 3.76Å; T1353-C1357 PolarHBondContact O-N 2.79Å; T1353-C1357 VanDerWaalsContact O-N 3.13Å; Q1354-C1357 PolarHBondContact O-N 2.88Å; C1357-Q1359 VanDerWaalsContact C-N 3.34Å; C1357-Q1359 PolarHBondContact O-N 2.76Å; C1357-A1360 PolarHBondContact O-N 3.19Å; C1357-C1361 VanDerWaalsContact O-CB 3.24Å; C1357-C1361 WeakPolarHBondContact O-CB 3.39Å; C1357-C1361 PolarHBondContact O-N 2.04Å
1358	N	76	Confident	74.2	Confident	44 Å²	44	57.6 Å²	57.6	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-37.5	176.8	-70.7	-15.4	0	0	0	111	C1336 Q1354 I1362 V1363	C1336-N1358 WeakPolarHBondContact CB-OD1 3.35Å; C1336-N1358 PolarHBondContact SG-OD1 3.13Å; C1336-N1358 VanDerWaalsContact SG-OD1 3.41Å; Q1354-N1358 VanDerWaalsContact O-CB 3.24Å; Q1354-N1358 WeakPolarHBondContact O-CB 3.34Å; Q1354-N1358 PolarHBondContact O-N 2.89Å; Q1354-N1358 PolarHBondContact O-ND2 3.37Å; Q1354-N1358 PolarHBondContact O-OD1 3.26Å; N1358-I1362 HydrophobicContact CB-CD1 4.45Å; N1358-I1362 CarbonylContact O-C 3.6Å; N1358-I1362 WeakPolarHBondContact O-CA 3.47Å; N1358-I1362 WeakPolarHBondContact O-CB 3.02Å; N1358-I1362 PolarHBondContact O-N 2.79Å; N1358-I1362 WeakPolarHBondContact OD1-CD1 3.25Å; N1358-V1363 PolarHBondContact O-N 2.82Å
1359	Q	66	Low	74	Confident	103 Å²	103	56.5 Å²	56.5	48%	0.481	30%	0.301	S	S	.	.	I	π-helix	trans	-70.4	-50.5	173	-78.3	-66.9	-11.8	0	0	111.4	E1355 E1356 C1357 C1361 G1364	E1355-Q1359 VanDerWaalsContact O-CB 3.3Å; E1355-Q1359 WeakPolarHBondContact O-CB 3.35Å; E1355-Q1359 WeakPolarHBondContact O-CG 3.42Å; E1355-Q1359 PolarHBondContact O-N 2.99Å; E1356-Q1359 PolarHBondContact O-N 3.08Å; C1357-Q1359 VanDerWaalsContact C-N 3.34Å; C1357-Q1359 PolarHBondContact O-N 2.76Å; Q1359-C1361 VanDerWaalsContact C-N 3.33Å; Q1359-C1361 PolarHBondContact O-N 3.5Å; Q1359-G1364 WeakPolarHBondContact O-CA 3.22Å; Q1359-G1364 PolarHBondContact O-N 3.21Å
1360	A	66.8	Low	73.7	Confident	56 Å²	56	59.1 Å²	59.1	46%	0.463	32%	0.318	S	S	.	.	I	π-helix	trans	-60.9	-39.7	179.7	0	0	0	0	0	113.3	F1351 E1356 C1357	F1351-A1360 HydrophobicContact CD1-CB 4.11Å; F1351-A1360 HydrophobicContact CE1-CB 3.35Å; F1351-A1360 HydrophobicContact CZ-CB 3.71Å; E1356-A1360 VanDerWaalsContact O-CB 3.3Å; E1356-A1360 WeakPolarHBondContact O-CB 3.49Å; E1356-A1360 PolarHBondContact O-N 2.03Å; C1357-A1360 PolarHBondContact O-N 3.19Å
1361	C	75.7	Confident	73	Confident	24 Å²	24	63.5 Å²	63.5	16%	0.162	35%	0.346	C	S	.	.	I	π-helix	trans	-110.3	-20.3	-168.8	-57.3	0	0	0	0	115.8	C1311 F1329 C1357 Q1359	C1311-C1361 HydrophobicContact CB-CB 3.81Å; C1311-C1361 WeakPolarHBondContact CB-SG 3.07Å; C1311-C1361 WeakPolarHBondContact SG-CA 3.35Å; C1311-C1361 WeakPolarHBondContact SG-CB 3.42Å; C1311-C1361 CovalentContact SG-SG 2.03Å; C1311-C1361 PolarHBondContact SG-SG 3.31Å; F1329-C1361 HydrophobicContact CB-CB 4.12Å; F1329-C1361 HydrophobicContact CD2-CB 3.58Å; F1329-C1361 HydrophobicContact CE2-CB 4.11Å; F1329-C1361 HydrophobicContact CG-CB 3.88Å; C1357-C1361 VanDerWaalsContact O-CB 3.24Å; C1357-C1361 WeakPolarHBondContact O-CB 3.39Å; C1357-C1361 PolarHBondContact O-N 2.04Å; Q1359-C1361 VanDerWaalsContact C-N 3.33Å; Q1359-C1361 PolarHBondContact O-N 3.5Å
1362	I	66.1	Low	72.6	Confident	90 Å²	90	64.4 Å²	64.4	46%	0.462	36%	0.362	S	S	.	.	I	π-helix	trans	-118.4	-38.6	-174.3	-50	-175.9	0	0	0	113	F1329 N1358	F1329-I1362 HydrophobicContact CE2-CD1 4.5Å; F1329-I1362 HydrophobicContact CE2-CG1 4.15Å; N1358-I1362 HydrophobicContact CB-CD1 4.45Å; N1358-I1362 CarbonylContact O-C 3.6Å; N1358-I1362 WeakPolarHBondContact O-CA 3.47Å; N1358-I1362 WeakPolarHBondContact O-CB 3.02Å; N1358-I1362 PolarHBondContact O-N 2.79Å; N1358-I1362 WeakPolarHBondContact OD1-CD1 3.25Å
1363	V	54.2	Low	72.6	Confident	84 Å²	84	65.1 Å²	65.1	51%	0.509	36%	0.363	S	S	.	.	I	π-helix	trans	-117.5	-35.7	-168.2	-176.6	0	0	0	0	114.4	N1358 F1365	N1358-V1363 PolarHBondContact O-N 2.82Å; V1363-F1365 PolarHBondContact O-N 2.74Å
1364	G	48.9	Very low	72.4	Confident	46 Å²	46	63 Å²	63	47%	0.474	35%	0.35	S	S	.	.			trans	-73.1	28.2	-175.3	0	0	0	0	0	114.8	Q1359 K1366	Q1359-G1364 WeakPolarHBondContact O-CA 3.22Å; Q1359-G1364 PolarHBondContact O-N 3.21Å; G1364-K1366 PolarHBondContact O-N 3.23Å
1365	F	54.3	Low	72.4	Confident	66 Å²	66	60.4 Å²	60.4	29%	0.289	34%	0.338	S	S	.	.			trans	-62.1	98.1	168.1	176.2	-94.4	0	0	0	109.8	V1363 N1367 P1368 P1374 V1382 S1404 V1407	V1363-F1365 PolarHBondContact O-N 2.74Å; F1365-N1367 HydrophobicContact CE1-CB 4.25Å; F1365-N1367 PolarHBondContact O-N 3.42Å; F1365-P1368 HydrophobicContact CZ-CG 4.13Å; F1365-P1374 HydrophobicContact CE1-CG 3.36Å; F1365-P1374 HydrophobicContact CZ-CB 4.36Å; F1365-P1374 HydrophobicContact CZ-CG 3.47Å; F1365-P1374 VanDerWaalsContact CZ-CG 3.47Å; F1365-V1382 HydrophobicContact CD1-CG2 4.42Å; F1365-V1382 HydrophobicContact CE1-CG2 4.15Å; F1365-V1382 HydrophobicContact CE2-CG1 4.02Å; F1365-V1382 HydrophobicContact CZ-CB 4.47Å; F1365-V1382 HydrophobicContact CZ-CG1 3.82Å; F1365-V1382 HydrophobicContact CZ-CG2 4.2Å; F1365-S1404 WeakPolarHBondContact CE2-O 3.04Å; F1365-V1407 HydrophobicContact CE2-CG1 3.73Å; F1365-V1407 HydrophobicContact CZ-CG1 3.95Å; F1365-V1407 HydrophobicContact CZ-CG2 4.17Å
1366	K	59.3	Low	72.8	Confident	169 Å²	169	59.1 Å²	59.1	74%	0.735	33%	0.33	S	S	*	.			trans	-62.9	107.9	166.2	-77.6	-179.5	177.3	173	0	108	G1364 P1368	G1364-K1366 PolarHBondContact O-N 3.23Å; K1366-P1368 WeakPolarHBondContact O-CD 3.37Å
1367	N	73.6	Confident	72.9	Confident	38 Å²	38	57.6 Å²	57.6	20%	0.203	33%	0.325	C	S	.	.			trans	-52.6	110.9	179.9	174.4	-3.3	0	0	0	110.1	F1365 C1369 G1372 E1373 K1453	F1365-N1367 HydrophobicContact CE1-CB 4.25Å; F1365-N1367 PolarHBondContact O-N 3.42Å; N1367-C1369 VanDerWaalsContact C-N 3.33Å; N1367-C1369 VanDerWaalsContact OD1-CB 3.27Å; N1367-C1369 WeakPolarHBondContact OD1-CB 3.42Å; N1367-C1369 PolarHBondContact OD1-N 2.75Å; N1367-G1372 PolarHBondContact ND2-O 3.48Å; N1367-E1373 PolarHBondContact ND2-OE1 3.26Å; N1367-K1453 PolarHBondContact O-NZ 3.27Å
1368	P	80.3	Confident	72.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.371	C	S	.	.			trans	-85.6	-8.2	-173.8	37.6	-37.2	0	0	0	112.1	F1365 K1366 H1398 T1405 V1407 T1452 K1453	F1365-P1368 HydrophobicContact CZ-CG 4.13Å; K1366-P1368 WeakPolarHBondContact O-CD 3.37Å; P1368-H1398 PolarHBondContact O-CD2 2.98Å; P1368-H1398 VanDerWaalsContact O-CD2 3.28Å; P1368-H1398 PolarHBondContact O-NE2 3.02Å; P1368-T1405 WeakPolarHBondContact CG-O 3.22Å; P1368-V1407 HydrophobicContact CG-CG2 3.38Å; P1368-T1452 HydrophobicContact CB-CG2 4.32Å; P1368-K1453 WeakPolarHBondContact O-CA 3.01Å; P1368-K1453 WeakPolarHBondContact O-CD 3.4Å; P1368-K1453 PolarHBondContact O-N 2.98Å
1369	C	84.7	Confident	71.2	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	39%	0.393	C	S	.	.			trans	-69.3	138.1	-177.7	-56.7	0	0	0	0	112.1	N1367 V1371 C1409 K1453	N1367-C1369 VanDerWaalsContact C-N 3.33Å; N1367-C1369 VanDerWaalsContact OD1-CB 3.27Å; N1367-C1369 WeakPolarHBondContact OD1-CB 3.42Å; N1367-C1369 PolarHBondContact OD1-N 2.75Å; C1369-V1371 VanDerWaalsContact C-N 3.33Å; C1369-V1371 PolarHBondContact O-N 3.14Å; C1369-C1409 WeakPolarHBondContact CA-SG 3.26Å; C1369-C1409 HydrophobicContact CB-CB 3.68Å; C1369-C1409 WeakPolarHBondContact CB-SG 3.35Å; C1369-C1409 WeakPolarHBondContact SG-CA 3.23Å; C1369-C1409 WeakPolarHBondContact SG-CB 3.31Å; C1369-C1409 CovalentContact SG-SG 2.03Å; C1369-C1409 PolarHBondContact SG-SG 2.89Å; C1369-K1453 WeakPolarHBondContact O-CD 3.49Å; C1369-K1453 PolarHBondContact O-NZ 3.45Å
1370	P	82.4	Confident	70.6	Confident	56 Å²	56	68.8 Å²	68.8	36%	0.364	39%	0.394	S	S	.	.	S	Bend	trans	-63.3	-38.5	176.5	26.7	-35.8	0	0	0	112.5	W1396 G1454	P1370-W1396 HydrophobicContact CG-CZ2 3.91Å; P1370-G1454 VanDerWaalsContact CB-O 3.26Å; P1370-G1454 WeakPolarHBondContact CB-O 3.48Å; P1370-G1454 VanDerWaalsContact CG-O 3.24Å; P1370-G1454 WeakPolarHBondContact CG-O 3.5Å
1371	V	76.6	Confident	70.3	Confident	114 Å²	114	71.2 Å²	71.2	69%	0.691	40%	0.395	S	S	*	.	S	Bend	trans	-139.1	138.9	177.7	-178.2	0	0	0	0	108.5	C1369	C1369-V1371 VanDerWaalsContact C-N 3.33Å; C1369-V1371 PolarHBondContact O-N 3.14Å
1372	G	79.1	Confident	70.1	Confident	44 Å²	44	71.9 Å²	71.9	45%	0.454	40%	0.399	S	S	.	.	S	Bend	trans	78.2	177.7	176.7	0	0	0	0	0	115	N1367	N1367-G1372 PolarHBondContact ND2-O 3.48Å
1373	E	79.9	Confident	70.7	Confident	106 Å²	106	69.4 Å²	69.4	50%	0.495	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-89.3	148.5	174.2	-78.2	-70.2	112.8	0	0	110.5	N1367 K1376 P1410	N1367-E1373 PolarHBondContact ND2-OE1 3.26Å; E1373-K1376 IonicContact OE2-NZ 2.84Å; E1373-K1376 PolarHBondContact OE2-NZ 2.84Å; E1373-P1410 WeakPolarHBondContact O-CD 3.29Å; E1373-P1410 WeakPolarHBondContact O-CG 3.31Å
1374	P	82.8	Confident	72	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.032	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-69.3	152.2	175.3	12	-5.8	0	0	0	111.7	F1365 K1376 V1382 V1407 C1408	F1365-P1374 HydrophobicContact CE1-CG 3.36Å; F1365-P1374 HydrophobicContact CZ-CB 4.36Å; F1365-P1374 HydrophobicContact CZ-CG 3.47Å; F1365-P1374 VanDerWaalsContact CZ-CG 3.47Å; P1374-K1376 PolarHBondContact O-N 2.98Å; P1374-V1382 HydrophobicContact CB-CG1 3.86Å; P1374-V1382 HydrophobicContact CG-CG1 4.07Å; P1374-V1382 HydrophobicContact CG-CG2 4.33Å; P1374-V1407 HydrophobicContact CB-CB 4.22Å; P1374-V1407 HydrophobicContact CB-CG2 3.85Å; P1374-V1407 HydrophobicContact CG-CG2 4.35Å; P1374-C1408 CarbonylContact C-O 3.49Å; P1374-C1408 WeakPolarHBondContact CA-O 3.25Å; P1374-C1408 WeakPolarHBondContact CB-O 3.03Å
1375	Q	84.3	Confident	73.5	Confident	16 Å²	16	71.2 Å²	71.2	8%	0.075	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-54.4	132.8	178.2	-154.3	-170.1	-43.3	0	0	109.9	I1383 D1392 C1408	Q1375-I1383 HydrophobicContact CB-CB 4.38Å; Q1375-I1383 HydrophobicContact CB-CD1 4.4Å; Q1375-I1383 HydrophobicContact CG-CD1 3.98Å; Q1375-I1383 PolarHBondContact O-N 3.05Å; Q1375-D1392 PolarHBondContact NE2-OD1 3.09Å; Q1375-D1392 PolarHBondContact NE2-OD2 3.35Å; Q1375-C1408 HydrophobicContact CB-CB 3.56Å; Q1375-C1408 HydrophobicContact CG-CB 4.49Å; Q1375-C1408 PolarHBondContact N-O 2.84Å
1376	K	80.7	Confident	74.5	Confident	97 Å²	97	71.5 Å²	71.5	42%	0.422	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-119.5	144.9	178.1	-71.5	164.7	-168.4	167.2	0	109.6	E1373 P1374 Q1381 V1382	E1373-K1376 IonicContact OE2-NZ 2.84Å; E1373-K1376 PolarHBondContact OE2-NZ 2.84Å; P1374-K1376 PolarHBondContact O-N 2.98Å; K1376-Q1381 CarbonylContact C-O 3.52Å; K1376-Q1381 VanDerWaalsContact CA-O 3.22Å; K1376-Q1381 WeakPolarHBondContact CA-O 3.48Å; K1376-V1382 HydrophobicContact CG-CG2 4.03Å
1377	N	74.8	Confident	74.7	Confident	51 Å²	51	65.4 Å²	65.4	27%	0.273	36%	0.356	S	S	.	.			trans	-74.7	176.9	173.3	68.6	11.6	0	0	0	111.1	Q1379 G1380 Q1381 I1383	N1377-Q1379 VanDerWaalsContact CG-OE1 3.24Å; N1377-Q1379 PolarHBondContact ND2-OE1 2.81Å; N1377-Q1379 PolarHBondContact O-N 3.36Å; N1377-Q1379 VanDerWaalsContact O-N 3.14Å; N1377-Q1379 WeakPolarHBondContact OD1-CA 3.17Å; N1377-Q1379 WeakPolarHBondContact OD1-CB 3.28Å; N1377-Q1379 PolarHBondContact OD1-N 3.34Å; N1377-Q1379 VanDerWaalsContact OD1-N 3.08Å; N1377-Q1379 PolarHBondContact OD1-OE1 3.49Å; N1377-G1380 PolarHBondContact O-N 3.05Å; N1377-G1380 PolarHBondContact OD1-N 2.86Å; N1377-G1380 VanDerWaalsContact OD1-N 3.16Å; N1377-Q1381 PolarHBondContact N-O 2.92Å; N1377-Q1381 PolarHBondContact ND2-OE1 3.2Å; N1377-Q1381 WeakPolarHBondContact OD1-CB 3.4Å; N1377-Q1381 PolarHBondContact OD1-N 2.92Å; N1377-Q1381 PolarHBondContact OD1-O 2.75Å; N1377-I1383 HydrophobicContact CB-CD1 4.17Å; N1377-I1383 HydrophobicContact CB-CG1 4.11Å
1378	L	70.7	Confident	74	Confident	184 Å²	184	68.7 Å²	68.7	96%	0.963	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.2	179.1	-66	171.2	0	0	0	113.4	G1380	L1378-G1380 VanDerWaalsContact C-N 3.33Å
1379	Q	54.5	Low	73.1	Confident	150 Å²	150	72.5 Å²	72.5	70%	0.701	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	4.5	172.6	-59.4	91	-14.1	0	0	113.7	N1377 Q1381	N1377-Q1379 VanDerWaalsContact CG-OE1 3.24Å; N1377-Q1379 PolarHBondContact ND2-OE1 2.81Å; N1377-Q1379 PolarHBondContact O-N 3.36Å; N1377-Q1379 VanDerWaalsContact O-N 3.14Å; N1377-Q1379 WeakPolarHBondContact OD1-CA 3.17Å; N1377-Q1379 WeakPolarHBondContact OD1-CB 3.28Å; N1377-Q1379 PolarHBondContact OD1-N 3.34Å; N1377-Q1379 VanDerWaalsContact OD1-N 3.08Å; N1377-Q1379 PolarHBondContact OD1-OE1 3.49Å; Q1379-Q1381 VanDerWaalsContact C-N 3.28Å; Q1379-Q1381 PolarHBondContact O-N 3.25Å
1380	G	53	Low	72.5	Confident	48 Å²	48	74.8 Å²	74.8	50%	0.495	42%	0.424	S	S	.	.	S	Bend	trans	77.8	4.2	-180	0	0	0	0	0	115.4	N1377 L1378	N1377-G1380 PolarHBondContact O-N 3.05Å; N1377-G1380 PolarHBondContact OD1-N 2.86Å; N1377-G1380 VanDerWaalsContact OD1-N 3.16Å; L1378-G1380 VanDerWaalsContact C-N 3.33Å
1381	Q	59.8	Low	72.6	Confident	106 Å²	106	73.9 Å²	73.9	50%	0.495	42%	0.418	S	S	.	.			trans	-80.4	139.2	177.6	-59.3	173.4	-29.2	0	0	110.5	K1376 N1377 Q1379 I1383	K1376-Q1381 CarbonylContact C-O 3.52Å; K1376-Q1381 VanDerWaalsContact CA-O 3.22Å; K1376-Q1381 WeakPolarHBondContact CA-O 3.48Å; N1377-Q1381 PolarHBondContact N-O 2.92Å; N1377-Q1381 PolarHBondContact ND2-OE1 3.2Å; N1377-Q1381 WeakPolarHBondContact OD1-CB 3.4Å; N1377-Q1381 PolarHBondContact OD1-N 2.92Å; N1377-Q1381 PolarHBondContact OD1-O 2.75Å; Q1379-Q1381 VanDerWaalsContact C-N 3.28Å; Q1379-Q1381 PolarHBondContact O-N 3.25Å; Q1381-I1383 PolarHBondContact O-N 3.24Å
1382	V	72.8	Confident	72.9	Confident	38 Å²	38	73.3 Å²	73.3	23%	0.23	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-66.1	128.5	178.4	174.9	0	0	0	0	111	F1365 P1374 K1376 R1384 V1407	F1365-V1382 HydrophobicContact CD1-CG2 4.42Å; F1365-V1382 HydrophobicContact CE1-CG2 4.15Å; F1365-V1382 HydrophobicContact CE2-CG1 4.02Å; F1365-V1382 HydrophobicContact CZ-CB 4.47Å; F1365-V1382 HydrophobicContact CZ-CG1 3.82Å; F1365-V1382 HydrophobicContact CZ-CG2 4.2Å; P1374-V1382 HydrophobicContact CB-CG1 3.86Å; P1374-V1382 HydrophobicContact CG-CG1 4.07Å; P1374-V1382 HydrophobicContact CG-CG2 4.33Å; K1376-V1382 HydrophobicContact CG-CG2 4.03Å; V1382-R1384 PolarHBondContact O-N 2.7Å; V1382-V1407 HydrophobicContact CG1-CB 3.91Å; V1382-V1407 HydrophobicContact CG1-CG1 3.55Å
1383	I	78.4	Confident	72.7	Confident	39 Å²	39	75.8 Å²	75.8	20%	0.2	43%	0.428	C	S	.	.			trans	-77.8	114.5	179.3	-63.7	173	0	0	0	108.9	Q1375 N1377 Q1381 G1390 V1407 C1408	Q1375-I1383 HydrophobicContact CB-CB 4.38Å; Q1375-I1383 HydrophobicContact CB-CD1 4.4Å; Q1375-I1383 HydrophobicContact CG-CD1 3.98Å; Q1375-I1383 PolarHBondContact O-N 3.05Å; N1377-I1383 HydrophobicContact CB-CD1 4.17Å; N1377-I1383 HydrophobicContact CB-CG1 4.11Å; Q1381-I1383 PolarHBondContact O-N 3.24Å; I1383-G1390 VanDerWaalsContact CG2-O 3.29Å; I1383-G1390 WeakPolarHBondContact CG2-O 3.34Å; I1383-V1407 WeakPolarHBondContact O-CA 3.05Å; I1383-C1408 PolarHBondContact O-N 2.03Å; I1383-C1408 VanDerWaalsContact O-N 3.11Å
1384	R	80.8	Confident	72.8	Confident	149 Å²	149	77 Å²	77	56%	0.562	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-83.6	148.2	171.4	-63	-179.2	-176.2	131.6	2	109.6	V1382 T1406 V1407	V1382-R1384 PolarHBondContact O-N 2.7Å; R1384-T1406 WeakPolarHBondContact CA-O 3.04Å; R1384-V1407 HydrophobicContact CG-CG1 4.46Å
1385	C	80.6	Confident	73	Confident	19 Å²	19	79 Å²	79	13%	0.128	45%	0.446	C	S	.	.			trans	-130.2	166.8	-174.1	56.5	0	0	0	0	112.2	C1391 C1397 T1406 V1407	C1385-C1391 WeakPolarHBondContact CB-SG 3.02Å; C1385-C1397 HydrophobicContact CB-CB 3.7Å; C1385-C1397 WeakPolarHBondContact CB-SG 3.38Å; C1385-C1397 WeakPolarHBondContact SG-CA 2.96Å; C1385-C1397 WeakPolarHBondContact SG-CB 3.34Å; C1385-C1397 CovalentContact SG-SG 2.03Å; C1385-C1397 PolarHBondContact SG-SG 3.33Å; C1385-T1406 WeakPolarHBondContact O-CG2 3.47Å; C1385-V1407 PolarHBondContact SG-O 2.77Å; C1385-V1407 VanDerWaalsContact SG-O 3.42Å
1386	S	75.6	Confident	73.2	Confident	72 Å²	72	79 Å²	79	50%	0.503	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-116.6	167.9	163.6	-173.5	0	0	0	0	109	D1388 S1389 C1397	S1386-D1388 VanDerWaalsContact C-N 3.26Å; S1386-D1388 PolarHBondContact O-N 2.82Å; S1386-D1388 VanDerWaalsContact O-N 3.11Å; S1386-S1389 PolarHBondContact N-O 3.47Å; S1386-S1389 PolarHBondContact O-N 3.45Å; S1386-S1389 VanDerWaalsContact O-N 3.11Å; S1386-C1397 PolarHBondContact O-SG 3.48Å
1387	F	63.2	Low	73.5	Confident	40 Å²	40	75.5 Å²	75.5	18%	0.175	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.5	-168.6	-170.8	-129.4	0	0	0	114.9	L1399 F1459 D1464 R1467 I1468	F1387-L1399 HydrophobicContact CD2-CD1 3.65Å; F1387-L1399 HydrophobicContact CD2-CG 4.34Å; F1387-L1399 HydrophobicContact CE2-CD1 3.98Å; F1387-F1459 AromaticContact CE2-CD1 3.63Å; F1387-F1459 HydrophobicContact CE2-CD1 3.63Å; F1387-F1459 HydrophobicContact CE2-CE1 4.25Å; F1387-F1459 AromaticContact CZ-CD1 3.5Å; F1387-F1459 HydrophobicContact CZ-CD1 3.5Å; F1387-F1459 VanDerWaalsContact CZ-CD1 3.5Å; F1387-F1459 HydrophobicContact CZ-CE1 4.12Å; F1387-F1459 HydrophobicContact CZ-CG 4.43Å; F1387-D1464 HydrophobicContact CD1-CB 4.4Å; F1387-D1464 HydrophobicContact CE1-CB 3.5Å; F1387-D1464 VanDerWaalsContact CE1-CB 3.5Å; F1387-D1464 VanDerWaalsContact CE1-OD1 3.3Å; F1387-D1464 WeakPolarHBondContact CE1-OD1 3.38Å; F1387-D1464 HydrophobicContact CZ-CB 3.73Å; F1387-R1467 VanDerWaalsContact CD1-NH2 3.28Å; F1387-R1467 VanDerWaalsContact CE1-NH2 3.28Å; F1387-I1468 HydrophobicContact CD1-CD1 4.11Å; F1387-I1468 HydrophobicContact CE1-CD1 3.32Å; F1387-I1468 HydrophobicContact CE1-CG1 3.95Å; F1387-I1468 HydrophobicContact CE2-CD1 4.14Å; F1387-I1468 HydrophobicContact CZ-CD1 3.35Å; F1387-I1468 HydrophobicContact CZ-CG1 4.1Å
1388	D	58.8	Low	74.2	Confident	108 Å²	108	73.1 Å²	73.1	58%	0.578	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	11.5	179.7	-80.2	-56.4	0	0	0	113.2	S1386 R1467	S1386-D1388 VanDerWaalsContact C-N 3.26Å; S1386-D1388 PolarHBondContact O-N 2.82Å; S1386-D1388 VanDerWaalsContact O-N 3.11Å; D1388-R1467 IonicContact OD2-CZ 3.68Å; D1388-R1467 IonicContact OD2-NH1 3.72Å; D1388-R1467 PolarHBondContact OD2-NH1 3.47Å; D1388-R1467 IonicContact OD2-NH2 3.91Å; D1388-R1467 PolarHBondContact OD2-NH2 3.42Å
1389	S	62	Low	74.9	Confident	79 Å²	79	65.5 Å²	65.5	55%	0.552	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-160	147.1	-175.9	48	0	0	0	0	116	S1386	S1386-S1389 PolarHBondContact N-O 3.47Å; S1386-S1389 PolarHBondContact O-N 3.45Å; S1386-S1389 VanDerWaalsContact O-N 3.11Å
1390	G	72	Confident	76.3	Confident	49 Å²	49	58.6 Å²	58.6	51%	0.505	35%	0.349	S	S	.	.	S	Bend	trans	118.1	-6.1	167.3	0	0	0	0	0	116.8	I1383 C1408	I1383-G1390 VanDerWaalsContact CG2-O 3.29Å; I1383-G1390 WeakPolarHBondContact CG2-O 3.34Å; G1390-C1408 PolarHBondContact O-SG 3.34Å; G1390-C1408 VanDerWaalsContact O-SG 3.41Å
1391	C	84.2	Confident	77.3	Confident	38 Å²	38	58 Å²	58	26%	0.257	34%	0.34	S	S	.	.	S	Bend	trans	-111.8	151.5	-179.4	-54.9	0	0	0	0	112.8	C1385 H1395 C1408	C1385-C1391 WeakPolarHBondContact CB-SG 3.02Å; C1391-H1395 HydrophobicContact CB-CB 3.99Å; C1391-C1408 WeakPolarHBondContact CA-SG 3.24Å; C1391-C1408 HydrophobicContact CB-CB 3.75Å; C1391-C1408 WeakPolarHBondContact CB-SG 3.46Å; C1391-C1408 WeakPolarHBondContact SG-CA 3.5Å; C1391-C1408 WeakPolarHBondContact SG-CB 2.98Å; C1391-C1408 CovalentContact SG-SG 2.04Å; C1391-C1408 PolarHBondContact SG-SG 2.98Å
1392	D	83.5	Confident	78.1	Confident	101 Å²	101	54 Å²	54	54%	0.54	32%	0.323	S	S	.	.			trans	-70.2	159.6	172.3	-66.7	-2.5	0	0	0	110.6	Q1375 N1394 H1395	Q1375-D1392 PolarHBondContact NE2-OD1 3.09Å; Q1375-D1392 PolarHBondContact NE2-OD2 3.35Å; D1392-N1394 PolarHBondContact O-N 3.3Å; D1392-H1395 PolarHBondContact O-N 3.39Å
1393	A	74.2	Confident	77.9	Confident	97 Å²	97	55.8 Å²	55.8	80%	0.802	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.8	-172.2	0	0	0	0	0	116.3
1394	N	82.4	Confident	77.5	Confident	131 Å²	131	55.7 Å²	55.7	70%	0.701	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	10.9	178.7	-63	-12.8	0	0	0	113.5	D1392 G1411	D1392-N1394 PolarHBondContact O-N 3.3Å; N1394-G1411 CarbonylContact C-O 3.53Å; N1394-G1411 VanDerWaalsContact C-O 3.25Å; N1394-G1411 PolarHBondContact O-N 2.83Å; N1394-G1411 VanDerWaalsContact O-O 3.09Å
1395	H	87.5	Confident	77.6	Confident	46 Å²	46	49.4 Å²	49.4	21%	0.213	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.1	176.5	-66.9	79.4	0	0	0	110.4	C1391 D1392 C1408 C1409 G1411	C1391-H1395 HydrophobicContact CB-CB 3.99Å; D1392-H1395 PolarHBondContact O-N 3.39Å; H1395-C1408 HydrophobicContact CB-CB 4.13Å; H1395-C1409 CarbonylContact C-O 3.5Å; H1395-C1409 WeakPolarHBondContact CA-O 3.43Å; H1395-C1409 WeakPolarHBondContact CB-O 3.31Å; H1395-C1409 VanDerWaalsContact CD2-C 3.47Å; H1395-G1411 CarbonylContact C-O 3.47Å; H1395-G1411 PolarHBondContact N-O 3Å
1396	W	86.8	Confident	77.9	Confident	18 Å²	18	49.6 Å²	49.6	7%	0.068	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154	174.6	62.9	-77.6	0	0	0	110	P1370 H1398 C1408 C1409 P1410 P1456	P1370-W1396 HydrophobicContact CG-CZ2 3.91Å; W1396-H1398 HydrophobicContact CE3-CB 4.42Å; W1396-H1398 HydrophobicContact CH2-CB 3.97Å; W1396-H1398 AromaticContact CH2-CD2 3.91Å; W1396-H1398 HydrophobicContact CZ2-CB 4.47Å; W1396-H1398 VanDerWaalsContact CZ3-CA 3.48Å; W1396-H1398 HydrophobicContact CZ3-CB 3.95Å; W1396-H1398 PolarHBondContact O-N 2.91Å; W1396-C1408 WeakPolarHBondContact O-CA 3.41Å; W1396-C1409 HydrophobicContact CZ2-CB 4.15Å; W1396-C1409 PolarHBondContact N-O 2.82Å; W1396-C1409 PolarHBondContact NE1-O 2.62Å; W1396-C1409 PolarHBondContact O-N 2.9Å; W1396-P1410 PolarHBondContact NE1-O 2.9Å; W1396-P1456 HydrophobicContact CD2-CB 3.75Å; W1396-P1456 HydrophobicContact CD2-CG 3.61Å; W1396-P1456 HydrophobicContact CE3-CB 3.45Å; W1396-P1456 VanDerWaalsContact CE3-CB 3.45Å; W1396-P1456 HydrophobicContact CE3-CG 3.81Å; W1396-P1456 HydrophobicContact CG-CB 4.22Å; W1396-P1456 HydrophobicContact CG-CG 3.98Å; W1396-P1456 HydrophobicContact CH2-CG 4.37Å; W1396-P1456 HydrophobicContact CZ2-CG 4.23Å; W1396-P1456 HydrophobicContact CZ3-CB 3.85Å; W1396-P1456 HydrophobicContact CZ3-CG 4.17Å
1397	C	87.9	Confident	78.4	Confident	23 Å²	23	46.1 Å²	46.1	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	107.3	177.5	-171.2	0	0	0	0	110.7	C1385 S1386 L1399	C1385-C1397 HydrophobicContact CB-CB 3.7Å; C1385-C1397 WeakPolarHBondContact CB-SG 3.38Å; C1385-C1397 WeakPolarHBondContact SG-CA 2.96Å; C1385-C1397 WeakPolarHBondContact SG-CB 3.34Å; C1385-C1397 CovalentContact SG-SG 2.03Å; C1385-C1397 PolarHBondContact SG-SG 3.33Å; S1386-C1397 PolarHBondContact O-SG 3.48Å; C1397-L1399 PolarHBondContact O-N 3.29Å
1398	H	90.1	Very high	79.7	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	114.4	169.5	170.9	-70	0	0	0	109	P1368 W1396 G1400 T1405 T1406 V1407 C1409 Y1449 K1453	P1368-H1398 PolarHBondContact O-CD2 2.98Å; P1368-H1398 VanDerWaalsContact O-CD2 3.28Å; P1368-H1398 PolarHBondContact O-NE2 3.02Å; W1396-H1398 HydrophobicContact CE3-CB 4.42Å; W1396-H1398 HydrophobicContact CH2-CB 3.97Å; W1396-H1398 AromaticContact CH2-CD2 3.91Å; W1396-H1398 HydrophobicContact CZ2-CB 4.47Å; W1396-H1398 VanDerWaalsContact CZ3-CA 3.48Å; W1396-H1398 HydrophobicContact CZ3-CB 3.95Å; W1396-H1398 PolarHBondContact O-N 2.91Å; H1398-G1400 PolarHBondContact ND1-N 2.02Å; H1398-G1400 PolarHBondContact O-N 3.42Å; H1398-T1405 PolarHBondContact ND1-O 2.98Å; H1398-T1406 WeakPolarHBondContact O-CA 3.39Å; H1398-V1407 WeakPolarHBondContact CB-O 3.43Å; H1398-V1407 PolarHBondContact N-O 3.09Å; H1398-V1407 PolarHBondContact O-N 2.88Å; H1398-C1409 HydrophobicContact CB-CB 4.16Å; H1398-C1409 WeakPolarHBondContact CB-SG 3.39Å; H1398-Y1449 PolarHBondContact CE1-OH 3.49Å; H1398-Y1449 PolarHBondContact NE2-OH 3.14Å; H1398-K1453 PolarHBondContact NE2-N 3.41Å; H1398-K1453 VanDerWaalsContact NE2-N 3.15Å; H1398-K1453 PolarHBondContact NE2-O 2.95Å
1399	L	86	Confident	81.1	Confident	24 Å²	24	39.1 Å²	39.1	13%	0.126	26%	0.255	C	S	.	.			trans	-85.8	91.5	174.7	-66	-174.2	0	0	0	111	F1387 C1397 T1406 R1434 Y1449 L1460	F1387-L1399 HydrophobicContact CD2-CD1 3.65Å; F1387-L1399 HydrophobicContact CD2-CG 4.34Å; F1387-L1399 HydrophobicContact CE2-CD1 3.98Å; C1397-L1399 PolarHBondContact O-N 3.29Å; L1399-T1406 HydrophobicContact CD2-CG2 3.91Å; L1399-R1434 PolarHBondContact O-NH1 3.23Å; L1399-R1434 PolarHBondContact O-NH2 3.45Å; L1399-Y1449 WeakPolarHBondContact O-CE1 3.47Å; L1399-L1460 HydrophobicContact CD1-CB 4.31Å
1400	G	82.8	Confident	82.3	Confident	4 Å²	4	37.7 Å²	37.7	4%	0.041	24%	0.244	C	C	.	.			trans	-77.7	-169.1	176.8	0	0	0	0	0	113.7	H1398 T1405 T1406 R1434 G1451	H1398-G1400 PolarHBondContact ND1-N 2.02Å; H1398-G1400 PolarHBondContact O-N 3.42Å; G1400-T1405 VanDerWaalsContact CA-OG1 3.29Å; G1400-T1405 WeakPolarHBondContact CA-OG1 3.06Å; G1400-T1406 PolarHBondContact N-OG1 2.8Å; G1400-R1434 PolarHBondContact O-NH2 3.05Å; G1400-G1451 CarbonylContact C-O 3.58Å; G1400-G1451 WeakPolarHBondContact CA-O 3.23Å
1401	A	75.1	Confident	82.7	Confident	36 Å²	36	37 Å²	37	30%	0.298	24%	0.237	S	C	.	.	S	Bend	trans	-68.3	-37.9	174.6	0	0	0	0	0	113	T1405 Q1430 L1432 G1451	A1401-T1405 PolarHBondContact N-OG1 2.98Å; A1401-Q1430 HydrophobicContact CB-CB 4.49Å; A1401-Q1430 HydrophobicContact CB-CG 3.82Å; A1401-L1432 HydrophobicContact CB-CD1 3.74Å; A1401-G1451 PolarHBondContact N-O 3.11Å; A1401-G1451 VanDerWaalsContact N-O 3.1Å
1402	T	76	Confident	82.1	Confident	22 Å²	22	39.3 Å²	39.3	14%	0.135	25%	0.25	C	S	.	.	S	Bend	trans	-124.8	164.1	-174.4	66.9	0	0	0	0	112	D1308 S1404 T1405 T1406	D1308-T1402 HydrophobicContact CB-CG2 3.29Å; T1402-S1404 PolarHBondContact O-N 3.45Å; T1402-S1404 PolarHBondContact OG1-N 2.03Å; T1402-S1404 PolarHBondContact OG1-OG 3.32Å; T1402-T1405 PolarHBondContact N-OG1 3.36Å; T1402-T1405 CarbonylContact O-C 2.89Å; T1402-T1405 WeakPolarHBondContact O-CA 3.37Å; T1402-T1405 PolarHBondContact O-N 2.87Å; T1402-T1405 PolarHBondContact O-OG1 3.26Å; T1402-T1405 PolarHBondContact OG1-N 3.21Å; T1402-T1405 PolarHBondContact OG1-OG1 2.88Å; T1402-T1405 VanDerWaalsContact OG1-OG1 3.12Å; T1402-T1406 PolarHBondContact O-N 3.25Å; T1402-T1406 PolarHBondContact O-OG1 2.85Å; T1402-T1406 VanDerWaalsContact O-OG1 3.14Å
1403	V	67.3	Low	81.2	Confident	75 Å²	75	36.2 Å²	36.2	46%	0.455	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.1	170.4	179	0	0	0	0	112.9
1404	S	71.6	Confident	80.5	Confident	37 Å²	37	32.9 Å²	32.9	26%	0.259	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-28.3	174.3	55	0	0	0	0	112.9	F1365 T1402	F1365-S1404 WeakPolarHBondContact CE2-O 3.04Å; T1402-S1404 PolarHBondContact O-N 3.45Å; T1402-S1404 PolarHBondContact OG1-N 2.03Å; T1402-S1404 PolarHBondContact OG1-OG 3.32Å
1405	T	81.6	Confident	79.6	Confident	18 Å²	18	34.9 Å²	34.9	11%	0.11	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.5	172.6	55.3	0	0	0	0	114.5	P1368 H1398 G1400 A1401 T1402 T1452	P1368-T1405 WeakPolarHBondContact CG-O 3.22Å; H1398-T1405 PolarHBondContact ND1-O 2.98Å; G1400-T1405 VanDerWaalsContact CA-OG1 3.29Å; G1400-T1405 WeakPolarHBondContact CA-OG1 3.06Å; A1401-T1405 PolarHBondContact N-OG1 2.98Å; T1402-T1405 PolarHBondContact N-OG1 3.36Å; T1402-T1405 CarbonylContact O-C 2.89Å; T1402-T1405 WeakPolarHBondContact O-CA 3.37Å; T1402-T1405 PolarHBondContact O-N 2.87Å; T1402-T1405 PolarHBondContact O-OG1 3.26Å; T1402-T1405 PolarHBondContact OG1-N 3.21Å; T1402-T1405 PolarHBondContact OG1-OG1 2.88Å; T1402-T1405 VanDerWaalsContact OG1-OG1 3.12Å; T1405-T1452 HydrophobicContact CG2-CG2 4.11Å
1406	T	86.7	Confident	78.7	Confident	22 Å²	22	34.8 Å²	34.8	14%	0.135	22%	0.221	C	C	.	.			trans	-99.8	99	179.5	-64	0	0	0	0	111.7	R1384 C1385 H1398 L1399 G1400 T1402	R1384-T1406 WeakPolarHBondContact CA-O 3.04Å; C1385-T1406 WeakPolarHBondContact O-CG2 3.47Å; H1398-T1406 WeakPolarHBondContact O-CA 3.39Å; L1399-T1406 HydrophobicContact CD2-CG2 3.91Å; G1400-T1406 PolarHBondContact N-OG1 2.8Å; T1402-T1406 PolarHBondContact O-N 3.25Å; T1402-T1406 PolarHBondContact O-OG1 2.85Å; T1402-T1406 VanDerWaalsContact O-OG1 3.14Å
1407	V	87.4	Confident	78	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.3	-164.3	-60.3	0	0	0	0	113	F1365 P1368 P1374 V1382 I1383 R1384 C1385 H1398 C1409	F1365-V1407 HydrophobicContact CE2-CG1 3.73Å; F1365-V1407 HydrophobicContact CZ-CG1 3.95Å; F1365-V1407 HydrophobicContact CZ-CG2 4.17Å; P1368-V1407 HydrophobicContact CG-CG2 3.38Å; P1374-V1407 HydrophobicContact CB-CB 4.22Å; P1374-V1407 HydrophobicContact CB-CG2 3.85Å; P1374-V1407 HydrophobicContact CG-CG2 4.35Å; V1382-V1407 HydrophobicContact CG1-CB 3.91Å; V1382-V1407 HydrophobicContact CG1-CG1 3.55Å; I1383-V1407 WeakPolarHBondContact O-CA 3.05Å; R1384-V1407 HydrophobicContact CG-CG1 4.46Å; C1385-V1407 PolarHBondContact SG-O 2.77Å; C1385-V1407 VanDerWaalsContact SG-O 3.42Å; H1398-V1407 WeakPolarHBondContact CB-O 3.43Å; H1398-V1407 PolarHBondContact N-O 3.09Å; H1398-V1407 PolarHBondContact O-N 2.88Å; V1407-C1409 PolarHBondContact O-N 2.83Å
1408	C	89.2	Confident	77.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	111.7	175.2	-63.5	0	0	0	0	111.5	P1374 Q1375 I1383 G1390 C1391 H1395 W1396	P1374-C1408 CarbonylContact C-O 3.49Å; P1374-C1408 WeakPolarHBondContact CA-O 3.25Å; P1374-C1408 WeakPolarHBondContact CB-O 3.03Å; Q1375-C1408 HydrophobicContact CB-CB 3.56Å; Q1375-C1408 HydrophobicContact CG-CB 4.49Å; Q1375-C1408 PolarHBondContact N-O 2.84Å; I1383-C1408 PolarHBondContact O-N 2.03Å; I1383-C1408 VanDerWaalsContact O-N 3.11Å; G1390-C1408 PolarHBondContact O-SG 3.34Å; G1390-C1408 VanDerWaalsContact O-SG 3.41Å; C1391-C1408 WeakPolarHBondContact CA-SG 3.24Å; C1391-C1408 HydrophobicContact CB-CB 3.75Å; C1391-C1408 WeakPolarHBondContact CB-SG 3.46Å; C1391-C1408 WeakPolarHBondContact SG-CA 3.5Å; C1391-C1408 WeakPolarHBondContact SG-CB 2.98Å; C1391-C1408 CovalentContact SG-SG 2.04Å; C1391-C1408 PolarHBondContact SG-SG 2.98Å; H1395-C1408 HydrophobicContact CB-CB 4.13Å; W1396-C1408 WeakPolarHBondContact O-CA 3.41Å
1409	C	88.2	Confident	77.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	147.8	178.4	-70.4	0	0	0	0	111.6	C1369 H1395 W1396 H1398 V1407 G1411	C1369-C1409 WeakPolarHBondContact CA-SG 3.26Å; C1369-C1409 HydrophobicContact CB-CB 3.68Å; C1369-C1409 WeakPolarHBondContact CB-SG 3.35Å; C1369-C1409 WeakPolarHBondContact SG-CA 3.23Å; C1369-C1409 WeakPolarHBondContact SG-CB 3.31Å; C1369-C1409 CovalentContact SG-SG 2.03Å; C1369-C1409 PolarHBondContact SG-SG 2.89Å; H1395-C1409 CarbonylContact C-O 3.5Å; H1395-C1409 WeakPolarHBondContact CA-O 3.43Å; H1395-C1409 WeakPolarHBondContact CB-O 3.31Å; H1395-C1409 VanDerWaalsContact CD2-C 3.47Å; W1396-C1409 HydrophobicContact CZ2-CB 4.15Å; W1396-C1409 PolarHBondContact N-O 2.82Å; W1396-C1409 PolarHBondContact NE1-O 2.62Å; W1396-C1409 PolarHBondContact O-N 2.9Å; H1398-C1409 HydrophobicContact CB-CB 4.16Å; H1398-C1409 WeakPolarHBondContact CB-SG 3.39Å; V1407-C1409 PolarHBondContact O-N 2.83Å; C1409-G1411 PolarHBondContact O-N 2.94Å
1410	P	87	Confident	76.8	Confident	49 Å²	49	45.4 Å²	45.4	32%	0.318	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	137.4	178.4	-24.9	35.1	0	0	0	112.3	E1373 W1396	E1373-P1410 WeakPolarHBondContact O-CD 3.29Å; E1373-P1410 WeakPolarHBondContact O-CG 3.31Å; W1396-P1410 PolarHBondContact NE1-O 2.9Å
1411	G	81.1	Confident	76.8	Confident	35 Å²	35	49.2 Å²	49.2	36%	0.361	29%	0.286	S	S	.	.	S	Bend	trans	139.9	174	176.7	0	0	0	0	0	113.8	N1394 H1395 C1409	N1394-G1411 CarbonylContact C-O 3.53Å; N1394-G1411 VanDerWaalsContact C-O 3.25Å; N1394-G1411 PolarHBondContact O-N 2.83Å; N1394-G1411 VanDerWaalsContact O-O 3.09Å; H1395-G1411 CarbonylContact C-O 3.47Å; H1395-G1411 PolarHBondContact N-O 3Å; C1409-G1411 PolarHBondContact O-N 2.94Å
1412	T	72.1	Confident	77.4	Confident	87 Å²	87	55.1 Å²	55.1	53%	0.534	31%	0.305	S	S	.	.			trans	-77.4	144.9	-179.1	55.8	0	0	0	0	112.2	S1416	T1412-S1416 VanDerWaalsContact CB-OG 3.22Å; T1412-S1416 WeakPolarHBondContact CB-OG 3.35Å; T1412-S1416 PolarHBondContact OG1-OG 2.83Å
1413	G	64.8	Low	77.9	Confident	35 Å²	35	55.7 Å²	55.7	36%	0.361	31%	0.312	S	S	.	.			trans	-65.1	162.2	-172.5	0	0	0	0	0	115.9	K1415 S1416	G1413-K1415 VanDerWaalsContact C-N 3.31Å; G1413-K1415 PolarHBondContact O-N 2.8Å; G1413-S1416 WeakPolarHBondContact O-CB 3.17Å; G1413-S1416 PolarHBondContact O-N 3.18Å; G1413-S1416 PolarHBondContact O-OG 3.36Å
1414	A	58.5	Low	78.9	Confident	28 Å²	28	55.2 Å²	55.2	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-51.5	-35.5	-167.5	0	0	0	0	0	116	S1416 A1417 I1468	A1414-S1416 VanDerWaalsContact C-N 3.25Å; A1414-S1416 PolarHBondContact O-N 2.97Å; A1414-A1417 VanDerWaalsContact O-CB 3.27Å; A1414-A1417 WeakPolarHBondContact O-CB 3.18Å; A1414-A1417 PolarHBondContact O-N 2.04Å; A1414-I1468 HydrophobicContact CB-CG2 4.46Å
1415	K	64.5	Low	79.7	Confident	172 Å²	172	56.5 Å²	56.5	75%	0.748	31%	0.314	S	S	*	.	H	α-helix	trans	-60.2	-33.5	175.8	-72.2	-174.1	177.8	-179	0	113.4	G1413 A1417 I1468	G1413-K1415 VanDerWaalsContact C-N 3.31Å; G1413-K1415 PolarHBondContact O-N 2.8Å; K1415-A1417 PolarHBondContact O-N 3.01Å; K1415-I1468 HydrophobicContact CG-CG2 4.32Å
1416	S	68.4	Low	79.9	Confident	44 Å²	44	56.4 Å²	56.4	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-73	-17.8	174.1	70.7	0	0	0	0	112.5	T1412 G1413 A1414 F1420	T1412-S1416 VanDerWaalsContact CB-OG 3.22Å; T1412-S1416 WeakPolarHBondContact CB-OG 3.35Å; T1412-S1416 PolarHBondContact OG1-OG 2.83Å; G1413-S1416 WeakPolarHBondContact O-CB 3.17Å; G1413-S1416 PolarHBondContact O-N 3.18Å; G1413-S1416 PolarHBondContact O-OG 3.36Å; A1414-S1416 VanDerWaalsContact C-N 3.25Å; A1414-S1416 PolarHBondContact O-N 2.97Å; S1416-F1420 WeakPolarHBondContact O-CD2 3.39Å
1417	A	71.4	Confident	79.8	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-82.6	-34.8	-171.5	0	0	0	0	0	113.7	A1414 K1415 N1419 F1420 F1421 P1456 N1457	A1414-A1417 VanDerWaalsContact O-CB 3.27Å; A1414-A1417 WeakPolarHBondContact O-CB 3.18Å; A1414-A1417 PolarHBondContact O-N 2.04Å; K1415-A1417 PolarHBondContact O-N 3.01Å; A1417-N1419 VanDerWaalsContact C-N 3.3Å; A1417-N1419 PolarHBondContact O-N 3.5Å; A1417-F1420 PolarHBondContact O-N 2.98Å; A1417-F1421 HydrophobicContact CB-CD2 3.66Å; A1417-F1421 HydrophobicContact CB-CE2 4.11Å; A1417-F1421 PolarHBondContact O-N 3.14Å; A1417-P1456 HydrophobicContact CB-CB 3.62Å; A1417-P1456 HydrophobicContact CB-CG 3.98Å; A1417-N1457 HydrophobicContact CB-CB 4.26Å
1418	C	80.7	Confident	79.4	Confident	6 Å²	6	63 Å²	63	4%	0.041	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-48.8	-177.4	-56.5	0	0	0	0	112.9	Y1437 C1469	C1418-Y1437 HydrophobicContact CB-CD1 3.8Å; C1418-Y1437 HydrophobicContact CB-CE1 4.41Å; C1418-Y1437 HydrophobicContact CB-CG 4.41Å; C1418-Y1437 WeakPolarHBondContact O-CD1 3.14Å; C1418-C1469 HydrophobicContact CB-CB 3.69Å; C1418-C1469 WeakPolarHBondContact CB-SG 3.48Å; C1418-C1469 WeakPolarHBondContact SG-CA 3.17Å; C1418-C1469 WeakPolarHBondContact SG-CB 3.36Å; C1418-C1469 CovalentContact SG-SG 2.04Å; C1418-C1469 PolarHBondContact SG-SG 2.87Å
1419	N	78.5	Confident	78.9	Confident	109 Å²	109	68.8 Å²	68.8	58%	0.583	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-11.9	-172.7	-65.8	-24.7	0	0	0	114.3	A1417	A1417-N1419 VanDerWaalsContact C-N 3.3Å; A1417-N1419 PolarHBondContact O-N 3.5Å
1420	F	79.2	Confident	78.4	Confident	174 Å²	174	71.2 Å²	71.2	76%	0.763	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-32.4	-168.9	-74	-93.8	0	0	0	114.1	S1416 A1417	S1416-F1420 WeakPolarHBondContact O-CD2 3.39Å; A1417-F1420 PolarHBondContact O-N 2.98Å
1421	F	83.6	Confident	78.3	Confident	84 Å²	84	73.2 Å²	73.2	37%	0.368	42%	0.415	S	S	.	.			trans	-105.1	144.9	179.8	-56.8	-75.7	0	0	0	111.8	A1417 N1455 P1456 N1457	A1417-F1421 HydrophobicContact CB-CD2 3.66Å; A1417-F1421 HydrophobicContact CB-CE2 4.11Å; A1417-F1421 PolarHBondContact O-N 3.14Å; F1421-N1455 HydrophobicContact CB-CB 4.32Å; F1421-N1455 WeakPolarHBondContact CB-OD1 3.46Å; F1421-N1455 HydrophobicContact CD1-CB 4.21Å; F1421-N1455 HydrophobicContact CG-CB 4.17Å; F1421-P1456 HydrophobicContact CE2-CG 4.23Å; F1421-N1457 HydrophobicContact CB-CB 4.09Å; F1421-N1457 PolarHBondContact O-ND2 3.49Å
1422	K	87.4	Confident	78.4	Confident	160 Å²	160	73.4 Å²	73.4	70%	0.696	41%	0.408	S	S	*	.			trans	-90.2	169.9	169.1	-62.3	-176.4	178.7	-176	0	110.1	D1424 N1455	K1422-D1424 PolarHBondContact O-N 3.44Å; K1422-N1455 PolarHBondContact O-ND2 3.46Å
1423	A	86.3	Confident	79.3	Confident	35 Å²	35	72.7 Å²	72.7	29%	0.289	41%	0.406	S	S	.	.			trans	-50.4	126.1	168	0	0	0	0	0	111.1	F1436 F1447	A1423-F1436 HydrophobicContact CB-CB 4.38Å; A1423-F1436 HydrophobicContact CB-CD1 3.58Å; A1423-F1436 HydrophobicContact CB-CD2 3.77Å; A1423-F1436 HydrophobicContact CB-CE1 3.65Å; A1423-F1436 HydrophobicContact CB-CE2 3.84Å; A1423-F1436 HydrophobicContact CB-CG 3.63Å; A1423-F1436 HydrophobicContact CB-CZ 3.79Å; A1423-F1447 HydrophobicContact CB-CB 4.36Å; A1423-F1447 HydrophobicContact CB-CD1 4.41Å; A1423-F1447 HydrophobicContact CB-CD2 4.19Å; A1423-F1447 HydrophobicContact CB-CG 4.07Å
1424	D	89.1	Confident	80.6	Confident	65 Å²	65	71.5 Å²	71.5	35%	0.348	39%	0.391	S	S	.	.			trans	-122.5	109.4	172.2	-177.6	-7.5	0	0	0	108.4	K1422 G1426 F1447 G1454 N1455	K1422-D1424 PolarHBondContact O-N 3.44Å; D1424-G1426 PolarHBondContact O-N 3.29Å; D1424-G1426 PolarHBondContact OD1-N 2.83Å; D1424-F1447 WeakPolarHBondContact O-CE2 3.35Å; D1424-G1454 WeakPolarHBondContact OD2-CA 3.44Å; D1424-N1455 WeakPolarHBondContact CB-ND2 3.4Å
1425	P	87.3	Confident	82.1	Confident	63 Å²	63	73 Å²	73	41%	0.409	39%	0.39	S	S	.	.			trans	-55.2	-18.9	175.8	-27	36	0	0	0	114.1	Y1449 R1450	P1425-Y1449 WeakPolarHBondContact O-CD2 3.32Å; P1425-R1450 VanDerWaalsContact O-CB 3.31Å; P1425-R1450 WeakPolarHBondContact O-CB 3.26Å; P1425-R1450 PolarHBondContact O-N 3.04Å
1426	G	87.4	Confident	83.5	Confident	16 Å²	16	66.1 Å²	66.1	17%	0.165	36%	0.36	C	S	.	.			trans	67.7	-153.4	-179.8	0	0	0	0	0	113.1	D1424 T1452	D1424-G1426 PolarHBondContact O-N 3.29Å; D1424-G1426 PolarHBondContact OD1-N 2.83Å; G1426-T1452 WeakPolarHBondContact CA-O 3.27Å
1427	Q	82.6	Confident	84.4	Confident	120 Å²	120	64.9 Å²	64.9	56%	0.561	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-127.6	161.9	-179.8	-62.4	-175.9	-4.1	0	0	111.3	R1450 T1452 K1453	Q1427-R1450 VanDerWaalsContact C-CB 3.44Å; Q1427-R1450 CarbonylContact O-C 3.44Å; Q1427-R1450 VanDerWaalsContact O-C 3.24Å; Q1427-R1450 WeakPolarHBondContact O-CB 3.24Å; Q1427-T1452 VanDerWaalsContact C-OG1 3.3Å; Q1427-T1452 PolarHBondContact N-O 2.88Å; Q1427-T1452 CarbonylContact O-C 3.47Å; Q1427-T1452 WeakPolarHBondContact O-CA 3.39Å; Q1427-T1452 PolarHBondContact O-N 2.93Å; Q1427-T1452 PolarHBondContact O-OG1 3.36Å; Q1427-K1453 HydrophobicContact CB-CB 4.29Å; Q1427-K1453 HydrophobicContact CB-CG 3.8Å; Q1427-K1453 HydrophobicContact CG-CB 4.27Å; Q1427-K1453 HydrophobicContact CG-CG 3.9Å
1428	G	79.7	Confident	85.3	Confident	41 Å²	41	66.4 Å²	66.4	42%	0.423	36%	0.357	S	S	.	.	S	Bend	trans	116.6	-175.9	-174.7	0	0	0	0	0	111.9	R1450	G1428-R1450 CarbonylContact C-O 3.16Å; G1428-R1450 VanDerWaalsContact CA-O 3.29Å; G1428-R1450 WeakPolarHBondContact CA-O 2.99Å
1429	D	78.4	Confident	85.2	Confident	122 Å²	122	68 Å²	68	65%	0.652	37%	0.371	S	S	*	.	S	Bend	trans	-108.4	-8.6	-175.3	44.8	7.9	0	0	0	113.2
1430	Q	78	Confident	85.4	Confident	51 Å²	51	69.1 Å²	69.1	24%	0.238	38%	0.377	C	S	.	.			trans	-71.5	155.8	-178.5	-59.3	-77.5	-31	0	0	111.3	D1308 A1401 L1432 R1450	D1308-Q1430 PolarHBondContact OD1-NE2 2.81Å; D1308-Q1430 PolarHBondContact OD2-NE2 3.43Å; A1401-Q1430 HydrophobicContact CB-CB 4.49Å; A1401-Q1430 HydrophobicContact CB-CG 3.82Å; Q1430-L1432 HydrophobicContact CB-CD1 4.23Å; Q1430-L1432 HydrophobicContact CB-CD2 4.38Å; Q1430-L1432 HydrophobicContact CB-CG 3.94Å; Q1430-R1450 WeakPolarHBondContact CB-O 3.24Å; Q1430-R1450 PolarHBondContact N-O 3.26Å; Q1430-R1450 WeakPolarHBondContact O-CA 3.38Å
1431	S	84.3	Confident	85.6	Confident	91 Å²	91	63.1 Å²	63.1	64%	0.636	36%	0.356	S	S	*	.			trans	-125.4	65.1	178.4	-166.5	0	0	0	0	110	I1448	S1431-I1448 WeakPolarHBondContact OG-CG2 3.07Å
1432	L	84.4	Confident	85.4	Confident	39 Å²	39	65.6 Å²	65.6	20%	0.204	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.6	-172.1	-54.1	173.7	0	0	0	109.5	A1401 Q1430 R1434 Y1449	A1401-L1432 HydrophobicContact CB-CD1 3.74Å; Q1430-L1432 HydrophobicContact CB-CD1 4.23Å; Q1430-L1432 HydrophobicContact CB-CD2 4.38Å; Q1430-L1432 HydrophobicContact CB-CG 3.94Å; L1432-R1434 HydrophobicContact CB-CG 4.24Å; L1432-R1434 PolarHBondContact O-N 2.96Å; L1432-R1434 VanDerWaalsContact O-N 3.17Å; L1432-Y1449 WeakPolarHBondContact CB-O 3.33Å; L1432-Y1449 HydrophobicContact CD1-CD1 4.1Å; L1432-Y1449 PolarHBondContact N-O 2.63Å; L1432-Y1449 PolarHBondContact O-N 2.61Å
1433	S	89.8	Confident	85	Confident	71 Å²	71	63.1 Å²	63.1	50%	0.497	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	117.1	167.4	-165	0	0	0	0	108.7
1434	R	92.1	Very high	85.2	Confident	11 Å²	11	61.7 Å²	61.7	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	162.7	179.6	-68.6	-63.9	-176.5	79.5	-1.7	109.3	L1399 G1400 L1432 S1446 F1447 Y1449 N1458 F1459	L1399-R1434 PolarHBondContact O-NH1 3.23Å; L1399-R1434 PolarHBondContact O-NH2 3.45Å; G1400-R1434 PolarHBondContact O-NH2 3.05Å; L1432-R1434 HydrophobicContact CB-CG 4.24Å; L1432-R1434 PolarHBondContact O-N 2.96Å; L1432-R1434 VanDerWaalsContact O-N 3.17Å; R1434-S1446 CarbonylContact O-C 3.28Å; R1434-S1446 VanDerWaalsContact O-CA 3.24Å; R1434-S1446 WeakPolarHBondContact O-CA 2.96Å; R1434-F1447 HydrophobicContact CB-CD1 4.13Å; R1434-F1447 HydrophobicContact CB-CE1 3.6Å; R1434-F1447 HydrophobicContact CB-CZ 3.94Å; R1434-F1447 PolarHBondContact N-O 2.89Å; R1434-F1447 VanDerWaalsContact O-CD1 3.32Å; R1434-F1447 WeakPolarHBondContact O-CD1 3.4Å; R1434-F1447 PolarHBondContact O-N 3.04Å; R1434-Y1449 HydrophobicContact CG-CD1 4.04Å; R1434-Y1449 HydrophobicContact CG-CG 4.16Å; R1434-N1458 WeakPolarHBondContact CB-OD1 3Å; R1434-N1458 WeakPolarHBondContact CD-OD1 3.43Å; R1434-N1458 VanDerWaalsContact CG-OD1 3.28Å; R1434-N1458 WeakPolarHBondContact CG-OD1 3.48Å; R1434-N1458 PolarHBondContact NH1-OD1 3.1Å; R1434-F1459 WeakPolarHBondContact CA-O 3.29Å; R1434-F1459 WeakPolarHBondContact CD-O 3.38Å
1435	W	92	Very high	85.1	Confident	60 Å²	60	61.5 Å²	61.5	23%	0.227	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.1	-178.2	-62.9	80.3	0	0	0	109.6	C1444 L1445 F1459 T1461 K1462 C1465	W1435-C1444 HydrophobicContact CE3-CB 4.46Å; W1435-C1444 WeakPolarHBondContact CZ3-O 3.49Å; W1435-L1445 WeakPolarHBondContact CA-O 3.47Å; W1435-L1445 VanDerWaalsContact CE3-C 3.48Å; W1435-F1459 HydrophobicContact CB-CB 4.32Å; W1435-F1459 PolarHBondContact N-O 3.32Å; W1435-F1459 WeakPolarHBondContact O-CB 3.01Å; W1435-F1459 VanDerWaalsContact O-CD2 3.28Å; W1435-F1459 WeakPolarHBondContact O-CD2 3.32Å; W1435-F1459 PolarHBondContact O-N 2.87Å; W1435-T1461 VanDerWaalsContact CD1-C 3.41Å; W1435-K1462 VanDerWaalsContact CD1-N 3.32Å; W1435-K1462 HydrophobicContact CD2-CB 3.63Å; W1435-K1462 HydrophobicContact CD2-CG 4.09Å; W1435-K1462 HydrophobicContact CE3-CB 3.83Å; W1435-K1462 HydrophobicContact CE3-CD 4.1Å; W1435-K1462 HydrophobicContact CE3-CG 3.74Å; W1435-K1462 HydrophobicContact CG-CB 4.16Å; W1435-K1462 HydrophobicContact CH2-CB 4.17Å; W1435-K1462 HydrophobicContact CH2-CD 3.75Å; W1435-K1462 HydrophobicContact CH2-CG 4.21Å; W1435-K1462 HydrophobicContact CZ2-CB 3.97Å; W1435-K1462 HydrophobicContact CZ2-CD 4.33Å; W1435-K1462 HydrophobicContact CZ3-CB 4.1Å; W1435-K1462 HydrophobicContact CZ3-CD 3.62Å; W1435-K1462 HydrophobicContact CZ3-CG 3.82Å; W1435-C1465 HydrophobicContact CB-CB 3.89Å
1436	F	92	Very high	85.3	Confident	27 Å²	27	61.8 Å²	61.8	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.5	170.9	81.2	-74.9	0	0	0	108.8	A1423 D1438 C1444 L1445 F1447 N1457 C1465	A1423-F1436 HydrophobicContact CB-CB 4.38Å; A1423-F1436 HydrophobicContact CB-CD1 3.58Å; A1423-F1436 HydrophobicContact CB-CD2 3.77Å; A1423-F1436 HydrophobicContact CB-CE1 3.65Å; A1423-F1436 HydrophobicContact CB-CE2 3.84Å; A1423-F1436 HydrophobicContact CB-CG 3.63Å; A1423-F1436 HydrophobicContact CB-CZ 3.79Å; F1436-D1438 HydrophobicContact CE2-CB 3.71Å; F1436-D1438 HydrophobicContact CZ-CB 4.09Å; F1436-C1444 CarbonylContact O-C 3.39Å; F1436-C1444 WeakPolarHBondContact O-CA 3Å; F1436-L1445 HydrophobicContact CD1-CB 4.21Å; F1436-L1445 VanDerWaalsContact CD1-O 3.24Å; F1436-L1445 WeakPolarHBondContact CD1-O 3.39Å; F1436-L1445 HydrophobicContact CE1-CB 3.64Å; F1436-L1445 HydrophobicContact CZ-CB 4.16Å; F1436-L1445 HydrophobicContact CZ-CD1 4.25Å; F1436-L1445 PolarHBondContact N-O 3.05Å; F1436-L1445 PolarHBondContact O-N 3.13Å; F1436-F1447 HydrophobicContact CB-CD1 4.07Å; F1436-F1447 HydrophobicContact CB-CE1 3.93Å; F1436-F1447 HydrophobicContact CD1-CB 4.25Å; F1436-F1447 AromaticContact CD1-CD1 3.71Å; F1436-F1447 HydrophobicContact CD1-CD1 3.71Å; F1436-F1447 HydrophobicContact CD1-CE1 4.43Å; F1436-F1447 HydrophobicContact CD1-CG 4.23Å; F1436-F1447 HydrophobicContact CE1-CB 4.43Å; F1436-F1447 HydrophobicContact CG-CD1 4.29Å; F1436-N1457 WeakPolarHBondContact CA-OD1 3.23Å; F1436-N1457 VanDerWaalsContact CB-O 3.22Å; F1436-N1457 WeakPolarHBondContact CB-O 3.23Å; F1436-C1465 VanDerWaalsContact C-SG 3.57Å
1437	Y	89.2	Confident	85.5	Confident	18 Å²	18	62.1 Å²	62.1	7%	0.071	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.5	172.8	177	-102	0	0	0	109.1	C1418 A1439 N1457 C1469 Q1470	C1418-Y1437 HydrophobicContact CB-CD1 3.8Å; C1418-Y1437 HydrophobicContact CB-CE1 4.41Å; C1418-Y1437 HydrophobicContact CB-CG 4.41Å; C1418-Y1437 WeakPolarHBondContact O-CD1 3.14Å; Y1437-A1439 HydrophobicContact CD1-CB 4.29Å; Y1437-A1439 HydrophobicContact CE1-CB 3.84Å; Y1437-A1439 PolarHBondContact O-N 3.49Å; Y1437-N1457 PolarHBondContact N-OD1 2.83Å; Y1437-N1457 PolarHBondContact O-ND2 3.17Å; Y1437-C1469 VanDerWaalsContact CB-SG 3.51Å; Y1437-C1469 HydrophobicContact CD1-CB 4Å; Y1437-C1469 HydrophobicContact CD2-CB 3.67Å; Y1437-C1469 HydrophobicContact CE2-CB 4.34Å; Y1437-C1469 HydrophobicContact CG-CB 3.47Å; Y1437-C1469 VanDerWaalsContact CG-CB 3.47Å; Y1437-Q1470 HydrophobicContact CD2-CG 3.86Å; Y1437-Q1470 HydrophobicContact CE2-CG 3.53Å; Y1437-Q1470 VanDerWaalsContact CE2-NE2 3.29Å
1438	D	89	Confident	85.8	Confident	31 Å²	31	60.7 Å²	60.7	17%	0.166	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	106.1	167.6	172	38.6	0	0	0	109.2	F1436 N1440 S1441 Q1442 Q1443 L1445	F1436-D1438 HydrophobicContact CE2-CB 3.71Å; F1436-D1438 HydrophobicContact CZ-CB 4.09Å; D1438-N1440 PolarHBondContact O-N 3.49Å; D1438-N1440 VanDerWaalsContact O-N 3.12Å; D1438-N1440 WeakPolarHBondContact OD1-CB 3.18Å; D1438-N1440 PolarHBondContact OD1-N 3.18Å; D1438-N1440 PolarHBondContact OD1-ND2 3.4Å; D1438-S1441 WeakPolarHBondContact CB-OG 3.01Å; D1438-S1441 PolarHBondContact O-N 2.79Å; D1438-S1441 VanDerWaalsContact OD2-CB 3.24Å; D1438-S1441 WeakPolarHBondContact OD2-CB 3.35Å; D1438-S1441 PolarHBondContact OD2-N 2.89Å; D1438-S1441 PolarHBondContact OD2-OG 3.38Å; D1438-Q1442 WeakPolarHBondContact O-CA 2.92Å; D1438-Q1442 PolarHBondContact O-N 3.31Å; D1438-Q1443 PolarHBondContact N-O 3.09Å; D1438-Q1443 PolarHBondContact O-N 2.87Å; D1438-L1445 HydrophobicContact CB-CD1 3.99Å
1439	A	79.8	Confident	86.4	Confident	40 Å²	40	58.7 Å²	58.7	33%	0.331	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.3	179	0	0	0	0	0	114.1	Y1437	Y1437-A1439 HydrophobicContact CD1-CB 4.29Å; Y1437-A1439 HydrophobicContact CE1-CB 3.84Å; Y1437-A1439 PolarHBondContact O-N 3.49Å
1440	N	81.5	Confident	86.9	Confident	133 Å²	133	59.4 Å²	59.4	71%	0.711	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-45.4	179	-53.5	-78.3	0	0	0	112.1	D1438	D1438-N1440 PolarHBondContact O-N 3.49Å; D1438-N1440 VanDerWaalsContact O-N 3.12Å; D1438-N1440 WeakPolarHBondContact OD1-CB 3.18Å; D1438-N1440 PolarHBondContact OD1-N 3.18Å; D1438-N1440 PolarHBondContact OD1-ND2 3.4Å
1441	S	84.1	Confident	87	Confident	47 Å²	47	57 Å²	57	33%	0.329	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.6	174.9	58.9	0	0	0	0	113.9	D1438 Q1443	D1438-S1441 WeakPolarHBondContact CB-OG 3.01Å; D1438-S1441 PolarHBondContact O-N 2.79Å; D1438-S1441 VanDerWaalsContact OD2-CB 3.24Å; D1438-S1441 WeakPolarHBondContact OD2-CB 3.35Å; D1438-S1441 PolarHBondContact OD2-N 2.89Å; D1438-S1441 PolarHBondContact OD2-OG 3.38Å; S1441-Q1443 PolarHBondContact O-N 3.16Å
1442	Q	78.4	Confident	87.1	Confident	136 Å²	136	54 Å²	54	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	38.7	-169.9	-56.7	-175.1	-52.8	0	0	112.1	D1438 Q1470	D1438-Q1442 WeakPolarHBondContact O-CA 2.92Å; D1438-Q1442 PolarHBondContact O-N 3.31Å; Q1442-Q1470 PolarHBondContact O-NE2 2.89Å
1443	Q	80.3	Confident	87.3	Confident	108 Å²	108	54.5 Å²	54.5	51%	0.505	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.2	-179.8	-69.5	-175.7	21.7	0	0	111.8	D1438 S1441 L1445	D1438-Q1443 PolarHBondContact N-O 3.09Å; D1438-Q1443 PolarHBondContact O-N 2.87Å; S1441-Q1443 PolarHBondContact O-N 3.16Å; Q1443-L1445 HydrophobicContact CB-CD2 4.06Å; Q1443-L1445 HydrophobicContact CB-CG 4.33Å; Q1443-L1445 PolarHBondContact O-N 3.19Å
1444	C	89	Confident	87.1	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.1	164.6	-76	0	0	0	0	109	W1435 F1436 K1462 C1465 E1466	W1435-C1444 HydrophobicContact CE3-CB 4.46Å; W1435-C1444 WeakPolarHBondContact CZ3-O 3.49Å; F1436-C1444 CarbonylContact O-C 3.39Å; F1436-C1444 WeakPolarHBondContact O-CA 3Å; C1444-K1462 HydrophobicContact CB-CG 4.41Å; C1444-C1465 HydrophobicContact CB-CB 3.71Å; C1444-C1465 WeakPolarHBondContact CB-SG 3.48Å; C1444-C1465 WeakPolarHBondContact SG-CB 3.41Å; C1444-C1465 CovalentContact SG-SG 2.03Å; C1444-C1465 PolarHBondContact SG-SG 2.65Å; C1444-E1466 HydrophobicContact CB-CG 3.83Å; C1444-E1466 PolarHBondContact SG-N 2.83Å
1445	L	88.3	Confident	87	Confident	62 Å²	62	51.7 Å²	51.7	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142.9	-178.1	-60.9	178.3	0	0	0	109.9	W1435 F1436 D1438 Q1443	W1435-L1445 WeakPolarHBondContact CA-O 3.47Å; W1435-L1445 VanDerWaalsContact CE3-C 3.48Å; F1436-L1445 HydrophobicContact CD1-CB 4.21Å; F1436-L1445 VanDerWaalsContact CD1-O 3.24Å; F1436-L1445 WeakPolarHBondContact CD1-O 3.39Å; F1436-L1445 HydrophobicContact CE1-CB 3.64Å; F1436-L1445 HydrophobicContact CZ-CB 4.16Å; F1436-L1445 HydrophobicContact CZ-CD1 4.25Å; F1436-L1445 PolarHBondContact N-O 3.05Å; F1436-L1445 PolarHBondContact O-N 3.13Å; D1438-L1445 HydrophobicContact CB-CD1 3.99Å; Q1443-L1445 HydrophobicContact CB-CD2 4.06Å; Q1443-L1445 HydrophobicContact CB-CG 4.33Å; Q1443-L1445 PolarHBondContact O-N 3.19Å
1446	S	90.1	Very high	86.8	Confident	68 Å²	68	49.4 Å²	49.4	48%	0.476	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.8	175.2	58.6	0	0	0	0	111.3	R1434	R1434-S1446 CarbonylContact O-C 3.28Å; R1434-S1446 VanDerWaalsContact O-CA 3.24Å; R1434-S1446 WeakPolarHBondContact O-CA 2.96Å
1447	F	92.5	Very high	86.7	Confident	24 Å²	24	48.1 Å²	48.1	11%	0.105	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	168.1	171	77.8	-73.2	0	0	0	110.4	A1423 D1424 R1434 F1436 Y1449 N1458	A1423-F1447 HydrophobicContact CB-CB 4.36Å; A1423-F1447 HydrophobicContact CB-CD1 4.41Å; A1423-F1447 HydrophobicContact CB-CD2 4.19Å; A1423-F1447 HydrophobicContact CB-CG 4.07Å; D1424-F1447 WeakPolarHBondContact O-CE2 3.35Å; R1434-F1447 HydrophobicContact CB-CD1 4.13Å; R1434-F1447 HydrophobicContact CB-CE1 3.6Å; R1434-F1447 HydrophobicContact CB-CZ 3.94Å; R1434-F1447 PolarHBondContact N-O 2.89Å; R1434-F1447 VanDerWaalsContact O-CD1 3.32Å; R1434-F1447 WeakPolarHBondContact O-CD1 3.4Å; R1434-F1447 PolarHBondContact O-N 3.04Å; F1436-F1447 HydrophobicContact CB-CD1 4.07Å; F1436-F1447 HydrophobicContact CB-CE1 3.93Å; F1436-F1447 HydrophobicContact CD1-CB 4.25Å; F1436-F1447 AromaticContact CD1-CD1 3.71Å; F1436-F1447 HydrophobicContact CD1-CD1 3.71Å; F1436-F1447 HydrophobicContact CD1-CE1 4.43Å; F1436-F1447 HydrophobicContact CD1-CG 4.23Å; F1436-F1447 HydrophobicContact CE1-CB 4.43Å; F1436-F1447 HydrophobicContact CG-CD1 4.29Å; F1447-Y1449 HydrophobicContact CE2-CD2 4.29Å; F1447-Y1449 HydrophobicContact CE2-CG 4.45Å; F1447-N1458 HydrophobicContact CZ-CB 4.26Å
1448	I	88.7	Confident	86.7	Confident	89 Å²	89	47.8 Å²	47.8	46%	0.456	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.1	175.7	-56.2	-57.8	0	0	0	109.3	S1431	S1431-I1448 WeakPolarHBondContact OG-CG2 3.07Å
1449	Y	92.3	Very high	86.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.3	178.2	175.1	-115.1	0	0	0	111.1	H1398 L1399 P1425 L1432 R1434 F1447 T1452 K1453 N1458	H1398-Y1449 PolarHBondContact CE1-OH 3.49Å; H1398-Y1449 PolarHBondContact NE2-OH 3.14Å; L1399-Y1449 WeakPolarHBondContact O-CE1 3.47Å; P1425-Y1449 WeakPolarHBondContact O-CD2 3.32Å; L1432-Y1449 WeakPolarHBondContact CB-O 3.33Å; L1432-Y1449 HydrophobicContact CD1-CD1 4.1Å; L1432-Y1449 PolarHBondContact N-O 2.63Å; L1432-Y1449 PolarHBondContact O-N 2.61Å; R1434-Y1449 HydrophobicContact CG-CD1 4.04Å; R1434-Y1449 HydrophobicContact CG-CG 4.16Å; F1447-Y1449 HydrophobicContact CE2-CD2 4.29Å; F1447-Y1449 HydrophobicContact CE2-CG 4.45Å; Y1449-T1452 VanDerWaalsContact OH-CA 3.32Å; Y1449-T1452 WeakPolarHBondContact OH-CA 3.21Å; Y1449-T1452 PolarHBondContact OH-N 2.82Å; Y1449-T1452 PolarHBondContact OH-O 2.79Å; Y1449-K1453 WeakPolarHBondContact CE2-O 3.29Å; Y1449-K1453 PolarHBondContact OH-O 2.04Å; Y1449-N1458 WeakPolarHBondContact CD1-ND2 3.48Å; Y1449-N1458 VanDerWaalsContact CD2-ND2 3.25Å; Y1449-N1458 WeakPolarHBondContact CD2-ND2 3.01Å; Y1449-N1458 WeakPolarHBondContact CE1-ND2 2.99Å; Y1449-N1458 VanDerWaalsContact CE2-ND2 3.26Å; Y1449-N1458 WeakPolarHBondContact CE2-ND2 3.44Å; Y1449-N1458 VanDerWaalsContact CZ-ND2 3.35Å
1450	R	88.4	Confident	86.9	Confident	136 Å²	136	49.2 Å²	49.2	51%	0.513	25%	0.252	S	S	.	.			trans	-90.7	4.4	-170	-69.2	-178	162	-171.1	-7.8	115.9	P1425 Q1427 G1428 Q1430	P1425-R1450 VanDerWaalsContact O-CB 3.31Å; P1425-R1450 WeakPolarHBondContact O-CB 3.26Å; P1425-R1450 PolarHBondContact O-N 3.04Å; Q1427-R1450 VanDerWaalsContact C-CB 3.44Å; Q1427-R1450 CarbonylContact O-C 3.44Å; Q1427-R1450 VanDerWaalsContact O-C 3.24Å; Q1427-R1450 WeakPolarHBondContact O-CB 3.24Å; G1428-R1450 CarbonylContact C-O 3.16Å; G1428-R1450 VanDerWaalsContact CA-O 3.29Å; G1428-R1450 WeakPolarHBondContact CA-O 2.99Å; Q1430-R1450 WeakPolarHBondContact CB-O 3.24Å; Q1430-R1450 PolarHBondContact N-O 3.26Å; Q1430-R1450 WeakPolarHBondContact O-CA 3.38Å
1451	G	81.6	Confident	87.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	95.2	-17	168.1	0	0	0	0	0	115.9	G1400 A1401	G1400-G1451 CarbonylContact C-O 3.58Å; G1400-G1451 WeakPolarHBondContact CA-O 3.23Å; A1401-G1451 PolarHBondContact N-O 3.11Å; A1401-G1451 VanDerWaalsContact N-O 3.1Å
1452	T	86.3	Confident	87	Confident	28 Å²	28	46.7 Å²	46.7	17%	0.172	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-138.8	164.5	171.8	67	0	0	0	0	111.7	P1368 T1405 G1426 Q1427 Y1449	P1368-T1452 HydrophobicContact CB-CG2 4.32Å; T1405-T1452 HydrophobicContact CG2-CG2 4.11Å; G1426-T1452 WeakPolarHBondContact CA-O 3.27Å; Q1427-T1452 VanDerWaalsContact C-OG1 3.3Å; Q1427-T1452 PolarHBondContact N-O 2.88Å; Q1427-T1452 CarbonylContact O-C 3.47Å; Q1427-T1452 WeakPolarHBondContact O-CA 3.39Å; Q1427-T1452 PolarHBondContact O-N 2.93Å; Q1427-T1452 PolarHBondContact O-OG1 3.36Å; Y1449-T1452 VanDerWaalsContact OH-CA 3.32Å; Y1449-T1452 WeakPolarHBondContact OH-CA 3.21Å; Y1449-T1452 PolarHBondContact OH-N 2.82Å; Y1449-T1452 PolarHBondContact OH-O 2.79Å
1453	K	87.3	Confident	87	Confident	50 Å²	50	45.9 Å²	45.9	22%	0.217	23%	0.233	C	C	.	.	S	Bend	trans	58.6	-150	-176.8	-45.1	-58	-170.8	-175.1	0	110.4	N1367 P1368 C1369 H1398 Q1427 Y1449	N1367-K1453 PolarHBondContact O-NZ 3.27Å; P1368-K1453 WeakPolarHBondContact O-CA 3.01Å; P1368-K1453 WeakPolarHBondContact O-CD 3.4Å; P1368-K1453 PolarHBondContact O-N 2.98Å; C1369-K1453 WeakPolarHBondContact O-CD 3.49Å; C1369-K1453 PolarHBondContact O-NZ 3.45Å; H1398-K1453 PolarHBondContact NE2-N 3.41Å; H1398-K1453 VanDerWaalsContact NE2-N 3.15Å; H1398-K1453 PolarHBondContact NE2-O 2.95Å; Q1427-K1453 HydrophobicContact CB-CB 4.29Å; Q1427-K1453 HydrophobicContact CB-CG 3.8Å; Q1427-K1453 HydrophobicContact CG-CB 4.27Å; Q1427-K1453 HydrophobicContact CG-CG 3.9Å; Y1449-K1453 WeakPolarHBondContact CE2-O 3.29Å; Y1449-K1453 PolarHBondContact OH-O 2.04Å
1454	G	87	Confident	86.9	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.021	22%	0.218	C	C	.	.			trans	82.3	-160.7	-171.4	0	0	0	0	0	111.9	P1370 D1424	P1370-G1454 VanDerWaalsContact CB-O 3.26Å; P1370-G1454 WeakPolarHBondContact CB-O 3.48Å; P1370-G1454 VanDerWaalsContact CG-O 3.24Å; P1370-G1454 WeakPolarHBondContact CG-O 3.5Å; D1424-G1454 WeakPolarHBondContact OD2-CA 3.44Å
1455	N	88.5	Confident	86.7	Confident	20 Å²	20	42.1 Å²	42.1	11%	0.107	22%	0.216	C	C	.	.			trans	-135.1	175.9	-176	72	57.7	0	0	0	111.3	F1421 K1422 D1424 N1457 N1458	F1421-N1455 HydrophobicContact CB-CB 4.32Å; F1421-N1455 WeakPolarHBondContact CB-OD1 3.46Å; F1421-N1455 HydrophobicContact CD1-CB 4.21Å; F1421-N1455 HydrophobicContact CG-CB 4.17Å; K1422-N1455 PolarHBondContact O-ND2 3.46Å; D1424-N1455 WeakPolarHBondContact CB-ND2 3.4Å; N1455-N1457 VanDerWaalsContact C-N 3.27Å; N1455-N1457 PolarHBondContact O-N 2.95Å; N1455-N1457 WeakPolarHBondContact OD1-CA 3.17Å; N1455-N1457 WeakPolarHBondContact OD1-CB 3.25Å; N1455-N1457 PolarHBondContact OD1-N 3.43Å; N1455-N1458 WeakPolarHBondContact O-CB 3.47Å
1456	P	88.1	Confident	86.3	Confident	12 Å²	12	39.8 Å²	39.8	8%	0.078	20%	0.203	C	C	.	.	S	Bend	trans	-75.2	-4.7	-174.7	-0.9	14	0	0	0	115.4	W1396 A1417 F1421 N1458	W1396-P1456 HydrophobicContact CD2-CB 3.75Å; W1396-P1456 HydrophobicContact CD2-CG 3.61Å; W1396-P1456 HydrophobicContact CE3-CB 3.45Å; W1396-P1456 VanDerWaalsContact CE3-CB 3.45Å; W1396-P1456 HydrophobicContact CE3-CG 3.81Å; W1396-P1456 HydrophobicContact CG-CB 4.22Å; W1396-P1456 HydrophobicContact CG-CG 3.98Å; W1396-P1456 HydrophobicContact CH2-CG 4.37Å; W1396-P1456 HydrophobicContact CZ2-CG 4.23Å; W1396-P1456 HydrophobicContact CZ3-CB 3.85Å; W1396-P1456 HydrophobicContact CZ3-CG 4.17Å; A1417-P1456 HydrophobicContact CB-CB 3.62Å; A1417-P1456 HydrophobicContact CB-CG 3.98Å; F1421-P1456 HydrophobicContact CE2-CG 4.23Å; P1456-N1458 PolarHBondContact O-N 3Å; P1456-N1458 VanDerWaalsContact O-N 3.09Å
1457	N	89.7	Confident	85.6	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.			trans	-84.9	57.8	170.4	-166	2.2	0	0	0	109.6	A1417 F1421 F1436 Y1437 N1455 F1459	A1417-N1457 HydrophobicContact CB-CB 4.26Å; F1421-N1457 HydrophobicContact CB-CB 4.09Å; F1421-N1457 PolarHBondContact O-ND2 3.49Å; F1436-N1457 WeakPolarHBondContact CA-OD1 3.23Å; F1436-N1457 VanDerWaalsContact CB-O 3.22Å; F1436-N1457 WeakPolarHBondContact CB-O 3.23Å; Y1437-N1457 PolarHBondContact N-OD1 2.83Å; Y1437-N1457 PolarHBondContact O-ND2 3.17Å; N1455-N1457 VanDerWaalsContact C-N 3.27Å; N1455-N1457 PolarHBondContact O-N 2.95Å; N1455-N1457 WeakPolarHBondContact OD1-CA 3.17Å; N1455-N1457 WeakPolarHBondContact OD1-CB 3.25Å; N1455-N1457 PolarHBondContact OD1-N 3.43Å; N1457-F1459 WeakPolarHBondContact OD1-CE2 3.35Å
1458	N	89.9	Confident	84.7	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.059	20%	0.201	C	C	.	.			trans	-144.4	104.3	-174.8	176.8	-7.9	0	0	0	109	R1434 F1447 Y1449 N1455 P1456	R1434-N1458 WeakPolarHBondContact CB-OD1 3Å; R1434-N1458 WeakPolarHBondContact CD-OD1 3.43Å; R1434-N1458 VanDerWaalsContact CG-OD1 3.28Å; R1434-N1458 WeakPolarHBondContact CG-OD1 3.48Å; R1434-N1458 PolarHBondContact NH1-OD1 3.1Å; F1447-N1458 HydrophobicContact CZ-CB 4.26Å; Y1449-N1458 WeakPolarHBondContact CD1-ND2 3.48Å; Y1449-N1458 VanDerWaalsContact CD2-ND2 3.25Å; Y1449-N1458 WeakPolarHBondContact CD2-ND2 3.01Å; Y1449-N1458 WeakPolarHBondContact CE1-ND2 2.99Å; Y1449-N1458 VanDerWaalsContact CE2-ND2 3.26Å; Y1449-N1458 WeakPolarHBondContact CE2-ND2 3.44Å; Y1449-N1458 VanDerWaalsContact CZ-ND2 3.35Å; N1455-N1458 WeakPolarHBondContact O-CB 3.47Å; P1456-N1458 PolarHBondContact O-N 3Å; P1456-N1458 VanDerWaalsContact O-N 3.09Å
1459	F	88.1	Confident	84.2	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-115.7	141.3	-170.6	-52.7	-62.1	0	0	0	110.6	F1387 R1434 W1435 N1457 C1465 I1468 C1469	F1387-F1459 AromaticContact CE2-CD1 3.63Å; F1387-F1459 HydrophobicContact CE2-CD1 3.63Å; F1387-F1459 HydrophobicContact CE2-CE1 4.25Å; F1387-F1459 AromaticContact CZ-CD1 3.5Å; F1387-F1459 HydrophobicContact CZ-CD1 3.5Å; F1387-F1459 VanDerWaalsContact CZ-CD1 3.5Å; F1387-F1459 HydrophobicContact CZ-CE1 4.12Å; F1387-F1459 HydrophobicContact CZ-CG 4.43Å; R1434-F1459 WeakPolarHBondContact CA-O 3.29Å; R1434-F1459 WeakPolarHBondContact CD-O 3.38Å; W1435-F1459 HydrophobicContact CB-CB 4.32Å; W1435-F1459 PolarHBondContact N-O 3.32Å; W1435-F1459 WeakPolarHBondContact O-CB 3.01Å; W1435-F1459 VanDerWaalsContact O-CD2 3.28Å; W1435-F1459 WeakPolarHBondContact O-CD2 3.32Å; W1435-F1459 PolarHBondContact O-N 2.87Å; N1457-F1459 WeakPolarHBondContact OD1-CE2 3.35Å; F1459-C1465 HydrophobicContact CB-CB 3.79Å; F1459-C1465 HydrophobicContact CD2-CB 3.37Å; F1459-C1465 WeakPolarHBondContact CD2-SG 3.45Å; F1459-C1465 HydrophobicContact CE2-CB 4.17Å; F1459-C1465 HydrophobicContact CG-CB 3.78Å; F1459-I1468 HydrophobicContact CE1-CB 4.48Å; F1459-I1468 HydrophobicContact CE1-CG2 4.27Å; F1459-I1468 HydrophobicContact CZ-CG2 4.43Å; F1459-C1469 WeakPolarHBondContact CE2-SG 3.45Å; F1459-C1469 WeakPolarHBondContact CZ-SG 3.09Å
1460	L	84.5	Confident	83.1	Confident	101 Å²	101	40.1 Å²	40.1	53%	0.529	19%	0.193	S	C	.	.	S	Bend	trans	-69.7	-40.6	-176.5	-175.3	61.1	0	0	0	112.2	L1399	L1399-L1460 HydrophobicContact CD1-CB 4.31Å
1461	T	85.6	Confident	81.1	Confident	52 Å²	52	37 Å²	37	32%	0.319	19%	0.191	S	C	.	.	S	Bend	trans	-121.5	158.9	-179.8	74.8	0	0	0	0	111.4	W1435 D1463 D1464 C1465	W1435-T1461 VanDerWaalsContact CD1-C 3.41Å; T1461-D1463 VanDerWaalsContact C-N 3.28Å; T1461-D1464 PolarHBondContact O-N 2.7Å; T1461-D1464 VanDerWaalsContact OG1-CB 3.29Å; T1461-D1464 WeakPolarHBondContact OG1-CB 3.37Å; T1461-D1464 VanDerWaalsContact OG1-CG 3.24Å; T1461-D1464 PolarHBondContact OG1-N 2.81Å; T1461-D1464 PolarHBondContact OG1-OD2 2.9Å; T1461-C1465 PolarHBondContact O-N 3.5Å; T1461-C1465 VanDerWaalsContact O-N 3.15Å
1462	K	83.5	Confident	79.5	Confident	75 Å²	75	41.8 Å²	41.8	33%	0.326	22%	0.216	S	C	.	.	H	α-helix	trans	-61	-41.8	171.9	-174.5	174.7	177.1	-79.7	0	111	W1435 C1444 D1464 C1465 E1466	W1435-K1462 VanDerWaalsContact CD1-N 3.32Å; W1435-K1462 HydrophobicContact CD2-CB 3.63Å; W1435-K1462 HydrophobicContact CD2-CG 4.09Å; W1435-K1462 HydrophobicContact CE3-CB 3.83Å; W1435-K1462 HydrophobicContact CE3-CD 4.1Å; W1435-K1462 HydrophobicContact CE3-CG 3.74Å; W1435-K1462 HydrophobicContact CG-CB 4.16Å; W1435-K1462 HydrophobicContact CH2-CB 4.17Å; W1435-K1462 HydrophobicContact CH2-CD 3.75Å; W1435-K1462 HydrophobicContact CH2-CG 4.21Å; W1435-K1462 HydrophobicContact CZ2-CB 3.97Å; W1435-K1462 HydrophobicContact CZ2-CD 4.33Å; W1435-K1462 HydrophobicContact CZ3-CB 4.1Å; W1435-K1462 HydrophobicContact CZ3-CD 3.62Å; W1435-K1462 HydrophobicContact CZ3-CG 3.82Å; C1444-K1462 HydrophobicContact CB-CG 4.41Å; K1462-D1464 VanDerWaalsContact C-N 3.32Å; K1462-D1464 PolarHBondContact O-N 3.5Å; K1462-C1465 WeakPolarHBondContact O-CB 3.04Å; K1462-C1465 PolarHBondContact O-N 2.92Å; K1462-E1466 WeakPolarHBondContact CE-OE1 3.48Å; K1462-E1466 HydrophobicContact CG-CG 4.42Å; K1462-E1466 IonicContact NZ-OE1 3.63Å; K1462-E1466 PolarHBondContact NZ-OE1 3.03Å; K1462-E1466 IonicContact NZ-OE2 2.62Å; K1462-E1466 PolarHBondContact NZ-OE2 2.68Å; K1462-E1466 WeakPolarHBondContact O-CG 3.45Å; K1462-E1466 PolarHBondContact O-N 3.08Å
1463	D	76.4	Confident	77.5	Confident	119 Å²	119	46 Å²	46	64%	0.636	23%	0.232	S	C	*	.	H	α-helix	trans	-68	-32.1	-178.3	-60.2	-24.3	0	0	0	111.8	T1461 R1467	T1461-D1463 VanDerWaalsContact C-N 3.28Å; D1463-R1467 WeakPolarHBondContact O-CB 3.48Å; D1463-R1467 PolarHBondContact O-N 3.35Å
1464	D	79.1	Confident	75.5	Confident	34 Å²	34	47.5 Å²	47.5	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-42	171.4	-80	-51.9	0	0	0	112.5	F1387 T1461 K1462 R1467 I1468	F1387-D1464 HydrophobicContact CD1-CB 4.4Å; F1387-D1464 HydrophobicContact CE1-CB 3.5Å; F1387-D1464 VanDerWaalsContact CE1-CB 3.5Å; F1387-D1464 VanDerWaalsContact CE1-OD1 3.3Å; F1387-D1464 WeakPolarHBondContact CE1-OD1 3.38Å; F1387-D1464 HydrophobicContact CZ-CB 3.73Å; T1461-D1464 PolarHBondContact O-N 2.7Å; T1461-D1464 VanDerWaalsContact OG1-CB 3.29Å; T1461-D1464 WeakPolarHBondContact OG1-CB 3.37Å; T1461-D1464 VanDerWaalsContact OG1-CG 3.24Å; T1461-D1464 PolarHBondContact OG1-N 2.81Å; T1461-D1464 PolarHBondContact OG1-OD2 2.9Å; K1462-D1464 VanDerWaalsContact C-N 3.32Å; K1462-D1464 PolarHBondContact O-N 3.5Å; D1464-R1467 PolarHBondContact O-N 3.46Å; D1464-R1467 IonicContact OD1-CZ 3.24Å; D1464-R1467 IonicContact OD1-NE 2.94Å; D1464-R1467 IonicContact OD1-NH2 2.72Å; D1464-R1467 PolarHBondContact OD1-NH2 3.41Å; D1464-I1468 WeakPolarHBondContact O-CB 3.41Å; D1464-I1468 PolarHBondContact O-N 3.05Å
1465	C	85.6	Confident	74.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-48.4	172.6	178.1	0	0	0	0	111.1	W1435 F1436 C1444 F1459 T1461 K1462 I1468 C1469	W1435-C1465 HydrophobicContact CB-CB 3.89Å; F1436-C1465 VanDerWaalsContact C-SG 3.57Å; C1444-C1465 HydrophobicContact CB-CB 3.71Å; C1444-C1465 WeakPolarHBondContact CB-SG 3.48Å; C1444-C1465 WeakPolarHBondContact SG-CB 3.41Å; C1444-C1465 CovalentContact SG-SG 2.03Å; C1444-C1465 PolarHBondContact SG-SG 2.65Å; F1459-C1465 HydrophobicContact CB-CB 3.79Å; F1459-C1465 HydrophobicContact CD2-CB 3.37Å; F1459-C1465 WeakPolarHBondContact CD2-SG 3.45Å; F1459-C1465 HydrophobicContact CE2-CB 4.17Å; F1459-C1465 HydrophobicContact CG-CB 3.78Å; T1461-C1465 PolarHBondContact O-N 3.5Å; T1461-C1465 VanDerWaalsContact O-N 3.15Å; K1462-C1465 WeakPolarHBondContact O-CB 3.04Å; K1462-C1465 PolarHBondContact O-N 2.92Å; C1465-I1468 PolarHBondContact O-N 2.74Å; C1465-C1469 WeakPolarHBondContact O-CB 3.04Å; C1465-C1469 PolarHBondContact O-N 2.89Å
1466	E	80	Confident	73.5	Confident	13 Å²	13	53.4 Å²	53.4	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-44.5	178.7	-70.6	-176.3	148.4	0	0	109.7	C1444 K1462 I1468 Q1470 K1473	C1444-E1466 HydrophobicContact CB-CG 3.83Å; C1444-E1466 PolarHBondContact SG-N 2.83Å; K1462-E1466 WeakPolarHBondContact CE-OE1 3.48Å; K1462-E1466 HydrophobicContact CG-CG 4.42Å; K1462-E1466 IonicContact NZ-OE1 3.63Å; K1462-E1466 PolarHBondContact NZ-OE1 3.03Å; K1462-E1466 IonicContact NZ-OE2 2.62Å; K1462-E1466 PolarHBondContact NZ-OE2 2.68Å; K1462-E1466 WeakPolarHBondContact O-CG 3.45Å; K1462-E1466 PolarHBondContact O-N 3.08Å; E1466-I1468 PolarHBondContact O-N 3.1Å; E1466-Q1470 CarbonylContact O-C 3.56Å; E1466-Q1470 WeakPolarHBondContact O-CA 3.18Å; E1466-Q1470 VanDerWaalsContact O-CB 3.29Å; E1466-Q1470 WeakPolarHBondContact O-CB 3.24Å; E1466-Q1470 PolarHBondContact O-N 2.8Å; E1466-K1473 HydrophobicContact CB-CD 4.44Å; E1466-K1473 VanDerWaalsContact CD-CD 3.5Å; E1466-K1473 HydrophobicContact CG-CD 4.26Å; E1466-K1473 WeakPolarHBondContact OE1-CD 3.41Å; E1466-K1473 IonicContact OE1-NZ 3.43Å; E1466-K1473 PolarHBondContact OE1-NZ 3.14Å
1467	R	74	Confident	73.1	Confident	114 Å²	114	53 Å²	53	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-38.9	177	-179.3	179.1	62.9	87.6	-6.6	114.2	F1387 D1388 D1463 D1464	F1387-R1467 VanDerWaalsContact CD1-NH2 3.28Å; F1387-R1467 VanDerWaalsContact CE1-NH2 3.28Å; D1388-R1467 IonicContact OD2-CZ 3.68Å; D1388-R1467 IonicContact OD2-NH1 3.72Å; D1388-R1467 PolarHBondContact OD2-NH1 3.47Å; D1388-R1467 IonicContact OD2-NH2 3.91Å; D1388-R1467 PolarHBondContact OD2-NH2 3.42Å; D1463-R1467 WeakPolarHBondContact O-CB 3.48Å; D1463-R1467 PolarHBondContact O-N 3.35Å; D1464-R1467 PolarHBondContact O-N 3.46Å; D1464-R1467 IonicContact OD1-CZ 3.24Å; D1464-R1467 IonicContact OD1-NE 2.94Å; D1464-R1467 IonicContact OD1-NH2 2.72Å; D1464-R1467 PolarHBondContact OD1-NH2 3.41Å
1468	I	73	Confident	72.8	Confident	20 Å²	20	53 Å²	53	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-84.1	-43.4	-178.2	-68.6	-160.7	0	0	0	112.4	F1387 A1414 K1415 F1459 D1464 C1465 E1466	F1387-I1468 HydrophobicContact CD1-CD1 4.11Å; F1387-I1468 HydrophobicContact CE1-CD1 3.32Å; F1387-I1468 HydrophobicContact CE1-CG1 3.95Å; F1387-I1468 HydrophobicContact CE2-CD1 4.14Å; F1387-I1468 HydrophobicContact CZ-CD1 3.35Å; F1387-I1468 HydrophobicContact CZ-CG1 4.1Å; A1414-I1468 HydrophobicContact CB-CG2 4.46Å; K1415-I1468 HydrophobicContact CG-CG2 4.32Å; F1459-I1468 HydrophobicContact CE1-CB 4.48Å; F1459-I1468 HydrophobicContact CE1-CG2 4.27Å; F1459-I1468 HydrophobicContact CZ-CG2 4.43Å; D1464-I1468 WeakPolarHBondContact O-CB 3.41Å; D1464-I1468 PolarHBondContact O-N 3.05Å; C1465-I1468 PolarHBondContact O-N 2.74Å; E1466-I1468 PolarHBondContact O-N 3.1Å
1469	C	79.6	Confident	72.3	Confident	19 Å²	19	54.7 Å²	54.7	13%	0.128	29%	0.292	C	S	.	.	H	α-helix	trans	-97.9	-16.6	-175.1	-58.9	0	0	0	0	114.3	C1418 Y1437 F1459 C1465	C1418-C1469 HydrophobicContact CB-CB 3.69Å; C1418-C1469 WeakPolarHBondContact CB-SG 3.48Å; C1418-C1469 WeakPolarHBondContact SG-CA 3.17Å; C1418-C1469 WeakPolarHBondContact SG-CB 3.36Å; C1418-C1469 CovalentContact SG-SG 2.04Å; C1418-C1469 PolarHBondContact SG-SG 2.87Å; Y1437-C1469 VanDerWaalsContact CB-SG 3.51Å; Y1437-C1469 HydrophobicContact CD1-CB 4Å; Y1437-C1469 HydrophobicContact CD2-CB 3.67Å; Y1437-C1469 HydrophobicContact CE2-CB 4.34Å; Y1437-C1469 HydrophobicContact CG-CB 3.47Å; Y1437-C1469 VanDerWaalsContact CG-CB 3.47Å; F1459-C1469 WeakPolarHBondContact CE2-SG 3.45Å; F1459-C1469 WeakPolarHBondContact CZ-SG 3.09Å; C1465-C1469 WeakPolarHBondContact O-CB 3.04Å; C1465-C1469 PolarHBondContact O-N 2.89Å
1470	Q	68.2	Low	71.5	Confident	34 Å²	34	62.5 Å²	62.5	16%	0.159	33%	0.329	C	S	.	.	S	Bend	trans	-137.8	59	179.7	-51.6	-175.8	13.2	0	0	111.5	Y1437 Q1442 E1466 D1472 K1473	Y1437-Q1470 HydrophobicContact CD2-CG 3.86Å; Y1437-Q1470 HydrophobicContact CE2-CG 3.53Å; Y1437-Q1470 VanDerWaalsContact CE2-NE2 3.29Å; Q1442-Q1470 PolarHBondContact O-NE2 2.89Å; E1466-Q1470 CarbonylContact O-C 3.56Å; E1466-Q1470 WeakPolarHBondContact O-CA 3.18Å; E1466-Q1470 VanDerWaalsContact O-CB 3.29Å; E1466-Q1470 WeakPolarHBondContact O-CB 3.24Å; E1466-Q1470 PolarHBondContact O-N 2.8Å; Q1470-D1472 PolarHBondContact O-N 2.99Å; Q1470-K1473 PolarHBondContact O-N 3.25Å
1471	P	46	Very low	70.7	Confident	72 Å²	72	59.7 Å²	59.7	47%	0.468	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	8.9	-166.1	23.1	-35.3	0	0	0	118.3	K1490	P1471-K1490 WeakPolarHBondContact O-CE 3.28Å
1472	D	48.8	Very low	70.1	Confident	100 Å²	100	65.2 Å²	65.2	54%	0.535	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	9.5	-176.9	-52	-35.6	0	0	0	113.1	Q1470	Q1470-D1472 PolarHBondContact O-N 2.99Å
1473	K	43.7	Very low	69.8	Low	117 Å²	117	62.4 Å²	62.4	51%	0.509	33%	0.333	S	S	.	.			trans	-108.5	75.2	-177.9	-131.6	-176.9	-167	164.6	0	112.8	E1466 Q1470	E1466-K1473 HydrophobicContact CB-CD 4.44Å; E1466-K1473 VanDerWaalsContact CD-CD 3.5Å; E1466-K1473 HydrophobicContact CG-CD 4.26Å; E1466-K1473 WeakPolarHBondContact OE1-CD 3.41Å; E1466-K1473 IonicContact OE1-NZ 3.43Å; E1466-K1473 PolarHBondContact OE1-NZ 3.14Å; Q1470-K1473 PolarHBondContact O-N 3.25Å
1474	V	45.9	Very low	69.9	Low	82 Å²	82	58.3 Å²	58.3	50%	0.497	31%	0.311	S	S	.	.			trans	-91.7	138.7	178.3	-179.7	0	0	0	0	111
1475	S	57.3	Low	69.4	Low	93 Å²	93	60.4 Å²	60.4	65%	0.65	33%	0.325	S	S	*	.			trans	-63.9	150.4	177	86.8	0	0	0	0	112.1	P1477	S1475-P1477 WeakPolarHBondContact O-CD 3.41Å
1476	N	75.5	Confident	68.5	Low	53 Å²	53	61.1 Å²	61.1	28%	0.283	33%	0.333	S	S	.	.			trans	-96.2	105.8	-172.2	171.6	15.3	0	0	0	112.5	C1478 G1481 P1483 K1562	N1476-C1478 WeakPolarHBondContact OD1-CB 3.46Å; N1476-C1478 PolarHBondContact OD1-N 3.12Å; N1476-G1481 PolarHBondContact ND2-O 3.39Å; N1476-P1483 HydrophobicContact CB-CG 4.4Å; N1476-P1483 VanDerWaalsContact OD1-CD 3.25Å; N1476-P1483 WeakPolarHBondContact OD1-CD 3.33Å; N1476-P1483 WeakPolarHBondContact OD1-CG 3.3Å; N1476-K1562 WeakPolarHBondContact O-CE 3.48Å; N1476-K1562 PolarHBondContact O-NZ 3.07Å
1477	P	79.9	Confident	67.9	Low	2 Å²	2	67.8 Å²	67.8	1%	0.013	38%	0.377	C	S	.	.			trans	-77.6	-13.5	178.4	32.6	-39.9	0	0	0	115.2	S1475 H1510 T1517 V1519 K1562	S1475-P1477 WeakPolarHBondContact O-CD 3.41Å; P1477-H1510 PolarHBondContact O-NE2 3.07Å; P1477-T1517 HydrophobicContact CB-CG2 4.35Å; P1477-V1519 HydrophobicContact CG-CG2 3.33Å; P1477-K1562 VanDerWaalsContact O-CA 3.29Å; P1477-K1562 WeakPolarHBondContact O-CA 3.28Å; P1477-K1562 PolarHBondContact O-N 3.21Å
1478	C	83.4	Confident	67.1	Low	0 Å²	0	66.5 Å²	66.5	0%	0	38%	0.378	C	S	.	.			trans	-69.5	139	-172.3	-57.6	0	0	0	0	113.1	N1476 E1480 P1483 C1521 K1562	N1476-C1478 WeakPolarHBondContact OD1-CB 3.46Å; N1476-C1478 PolarHBondContact OD1-N 3.12Å; C1478-E1480 PolarHBondContact O-N 3.32Å; C1478-P1483 WeakPolarHBondContact SG-CA 3.36Å; C1478-C1521 WeakPolarHBondContact CA-SG 3.08Å; C1478-C1521 HydrophobicContact CB-CB 3.63Å; C1478-C1521 WeakPolarHBondContact CB-SG 3.48Å; C1478-C1521 WeakPolarHBondContact SG-CA 3.43Å; C1478-C1521 WeakPolarHBondContact SG-CB 3.15Å; C1478-C1521 CovalentContact SG-SG 2.03Å; C1478-C1521 PolarHBondContact SG-SG 2.02Å; C1478-K1562 WeakPolarHBondContact O-CD 3.38Å; C1478-K1562 WeakPolarHBondContact O-CE 3.48Å; C1478-K1562 PolarHBondContact O-NZ 2.97Å
1479	P	79.9	Confident	66.5	Low	47 Å²	47	67.3 Å²	67.3	31%	0.305	39%	0.392	S	S	.	.	S	Bend	trans	-58.9	-46.2	-176.3	24.3	-34	0	0	0	111.7	W1508 G1563	P1479-W1508 HydrophobicContact CG-CZ2 4.47Å; P1479-G1563 VanDerWaalsContact CD-O 3.31Å; P1479-G1563 WeakPolarHBondContact CD-O 3.38Å; P1479-G1563 VanDerWaalsContact CG-O 3.27Å; P1479-G1563 WeakPolarHBondContact CG-O 3.03Å
1480	E	70.5	Confident	65.6	Low	166 Å²	166	70.3 Å²	70.3	78%	0.776	40%	0.403	S	S	*	.	S	Bend	trans	-131.1	159.8	168.5	-65.9	-174.3	174.8	0	0	109.8	C1478	C1478-E1480 PolarHBondContact O-N 3.32Å
1481	G	68.9	Low	65.7	Low	41 Å²	41	69.5 Å²	69.5	42%	0.423	40%	0.402	S	S	.	.	S	Bend	trans	71.6	-178.9	-176	0	0	0	0	0	114	N1476	N1476-G1481 PolarHBondContact ND2-O 3.39Å
1482	K	72.5	Confident	67.3	Low	168 Å²	168	69.1 Å²	69.1	73%	0.73	39%	0.394	S	S	*	.			trans	-91	161.1	168.5	-71.1	-174.7	-179.9	-178	0	109.7
1483	P	78.4	Confident	68.8	Low	16 Å²	16	68.4 Å²	68.4	10%	0.104	40%	0.395	C	S	.	.			trans	-62.4	149.3	167	-14.4	32.4	0	0	0	109.1	N1476 C1478 T1485 A1491 V1519 C1520	N1476-P1483 HydrophobicContact CB-CG 4.4Å; N1476-P1483 VanDerWaalsContact OD1-CD 3.25Å; N1476-P1483 WeakPolarHBondContact OD1-CD 3.33Å; N1476-P1483 WeakPolarHBondContact OD1-CG 3.3Å; C1478-P1483 WeakPolarHBondContact SG-CA 3.36Å; P1483-T1485 PolarHBondContact O-N 3.48Å; P1483-A1491 HydrophobicContact CB-CB 3.59Å; P1483-A1491 HydrophobicContact CG-CB 4.03Å; P1483-V1519 HydrophobicContact CB-CB 4.49Å; P1483-V1519 HydrophobicContact CB-CG2 3.9Å; P1483-V1519 HydrophobicContact CG-CG2 4.32Å; P1483-C1520 CarbonylContact C-O 3.51Å; P1483-C1520 WeakPolarHBondContact CA-O 2.99Å
1484	L	76.8	Confident	70.4	Confident	34 Å²	34	63.5 Å²	63.5	18%	0.178	38%	0.375	C	S	.	.			trans	-58.5	110.7	165.5	180	66.8	0	0	0	107.5	Q1492 P1504 Y1507 C1520	L1484-Q1492 HydrophobicContact CG-CB 4.48Å; L1484-Q1492 VanDerWaalsContact O-CB 3.31Å; L1484-Q1492 WeakPolarHBondContact O-CB 3.34Å; L1484-Q1492 PolarHBondContact O-N 3.37Å; L1484-P1504 VanDerWaalsContact CD2-CD 3.49Å; L1484-P1504 HydrophobicContact CD2-CG 3.69Å; L1484-Y1507 HydrophobicContact CB-CD1 3.74Å; L1484-Y1507 HydrophobicContact CB-CE1 3.68Å; L1484-Y1507 HydrophobicContact CB-CG 4.41Å; L1484-Y1507 HydrophobicContact CD1-CE1 4.19Å; L1484-Y1507 HydrophobicContact CD1-CE2 4.13Å; L1484-Y1507 HydrophobicContact CD2-CG 4.48Å; L1484-Y1507 HydrophobicContact CG-CE1 4.45Å; L1484-C1520 HydrophobicContact CB-CB 3.82Å; L1484-C1520 HydrophobicContact CD2-CB 4.03Å; L1484-C1520 PolarHBondContact N-O 3.28Å
1485	T	70.2	Confident	71.7	Confident	78 Å²	78	63.2 Å²	63.2	48%	0.479	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-85.2	134	175.1	49.2	0	0	0	0	109.8	P1483 G1489 K1490	P1483-T1485 PolarHBondContact O-N 3.48Å; T1485-G1489 VanDerWaalsContact CG2-O 3.29Å; T1485-G1489 WeakPolarHBondContact CG2-O 3.41Å; T1485-K1490 CarbonylContact C-O 3.54Å; T1485-K1490 VanDerWaalsContact CA-O 3.22Å; T1485-K1490 WeakPolarHBondContact CA-O 3.49Å
1486	G	67.1	Low	72.1	Confident	15 Å²	15	61 Å²	61	16%	0.155	36%	0.358	C	S	.	.			trans	-66.4	175.2	165.9	0	0	0	0	0	111.9	D1488 G1489 K1490	G1486-D1488 PolarHBondContact O-N 2.8Å; G1486-D1488 VanDerWaalsContact O-N 3.1Å; G1486-G1489 PolarHBondContact O-N 2.87Å; G1486-K1490 PolarHBondContact N-O 2.86Å
1487	P	65.9	Low	71.3	Confident	152 Å²	152	65.5 Å²	65.5	99%	0.987	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.8	-178.6	-23.9	34.8	0	0	0	114.7	G1489	P1487-G1489 VanDerWaalsContact C-N 3.27Å
1488	D	57.9	Low	69.8	Low	87 Å²	87	68.7 Å²	68.7	47%	0.465	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.5	175.8	74.6	-31.6	0	0	0	113.4	G1486 K1490	G1486-D1488 PolarHBondContact O-N 2.8Å; G1486-D1488 VanDerWaalsContact O-N 3.1Å; D1488-K1490 PolarHBondContact O-N 2.97Å; D1488-K1490 PolarHBondContact OD1-N 3.07Å; D1488-K1490 VanDerWaalsContact OD2-CD 3.32Å; D1488-K1490 WeakPolarHBondContact OD2-CD 3.27Å; D1488-K1490 WeakPolarHBondContact OD2-CG 3.19Å; D1488-K1490 IonicContact OD2-NZ 2.67Å; D1488-K1490 PolarHBondContact OD2-NZ 3.42Å
1489	G	59.4	Low	67.9	Low	38 Å²	38	74.2 Å²	74.2	39%	0.392	45%	0.447	S	S	.	.	S	Bend	trans	76.9	-6.5	-179.6	0	0	0	0	0	114.6	T1485 G1486 P1487	T1485-G1489 VanDerWaalsContact CG2-O 3.29Å; T1485-G1489 WeakPolarHBondContact CG2-O 3.41Å; G1486-G1489 PolarHBondContact O-N 2.87Å; P1487-G1489 VanDerWaalsContact C-N 3.27Å
1490	K	62.5	Low	66.5	Low	82 Å²	82	77.7 Å²	77.7	36%	0.357	47%	0.467	S	S	.	.	S	Bend	trans	-87.4	147.5	-178.9	-61.5	-175	-167.2	119.9	0	111.4	P1471 T1485 G1486 D1488 Q1492	P1471-K1490 WeakPolarHBondContact O-CE 3.28Å; T1485-K1490 CarbonylContact C-O 3.54Å; T1485-K1490 VanDerWaalsContact CA-O 3.22Å; T1485-K1490 WeakPolarHBondContact CA-O 3.49Å; G1486-K1490 PolarHBondContact N-O 2.86Å; D1488-K1490 PolarHBondContact O-N 2.97Å; D1488-K1490 PolarHBondContact OD1-N 3.07Å; D1488-K1490 VanDerWaalsContact OD2-CD 3.32Å; D1488-K1490 WeakPolarHBondContact OD2-CD 3.27Å; D1488-K1490 WeakPolarHBondContact OD2-CG 3.19Å; D1488-K1490 IonicContact OD2-NZ 2.67Å; D1488-K1490 PolarHBondContact OD2-NZ 3.42Å; K1490-Q1492 PolarHBondContact O-N 2.93Å
1491	A	68.7	Low	65.5	Low	17 Å²	17	73.5 Å²	73.5	14%	0.14	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-60	124.9	176.4	0	0	0	0	0	110.5	P1483 P1493 V1519	P1483-A1491 HydrophobicContact CB-CB 3.59Å; P1483-A1491 HydrophobicContact CG-CB 4.03Å; A1491-P1493 VanDerWaalsContact O-CD 3.28Å; A1491-P1493 WeakPolarHBondContact O-CD 3.35Å; A1491-V1519 HydrophobicContact CB-CB 4.1Å; A1491-V1519 HydrophobicContact CB-CG1 3.74Å; A1491-V1519 HydrophobicContact CB-CG2 4.39Å
1492	Q	79.5	Confident	65.5	Low	64 Å²	64	73.4 Å²	73.4	30%	0.299	45%	0.449	S	S	.	.			trans	-65	113.6	-177.9	178.4	168.9	-25.1	0	0	109.5	L1484 K1490 V1519 C1520	L1484-Q1492 HydrophobicContact CG-CB 4.48Å; L1484-Q1492 VanDerWaalsContact O-CB 3.31Å; L1484-Q1492 WeakPolarHBondContact O-CB 3.34Å; L1484-Q1492 PolarHBondContact O-N 3.37Å; K1490-Q1492 PolarHBondContact O-N 2.93Å; Q1492-V1519 VanDerWaalsContact O-CA 3.24Å; Q1492-V1519 WeakPolarHBondContact O-CA 3.44Å; Q1492-V1519 WeakPolarHBondContact O-CB 3.02Å; Q1492-C1520 PolarHBondContact O-N 2.82Å
1493	P	80.1	Confident	65.7	Low	85 Å²	85	65.8 Å²	65.8	55%	0.552	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-70	150.3	178.7	30.9	-34.7	0	0	0	110.1	A1491 T1518	A1491-P1493 VanDerWaalsContact O-CD 3.28Å; A1491-P1493 WeakPolarHBondContact O-CD 3.35Å; P1493-T1518 WeakPolarHBondContact CA-O 3.35Å
1494	C	77.4	Confident	65.6	Low	13 Å²	13	68 Å²	68	9%	0.088	43%	0.431	C	S	.	.			trans	-131.4	158.1	-175.3	70.2	0	0	0	0	111.2	S1502 C1503 C1509 T1518 V1519	C1494-S1502 WeakPolarHBondContact CA-OG 3.48Å; C1494-S1502 VanDerWaalsContact CB-OG 3.3Å; C1494-S1502 WeakPolarHBondContact CB-OG 3.44Å; C1494-C1503 WeakPolarHBondContact CB-SG 3.26Å; C1494-C1509 HydrophobicContact CB-CB 3.65Å; C1494-C1509 WeakPolarHBondContact CB-SG 3.07Å; C1494-C1509 WeakPolarHBondContact SG-CA 3.38Å; C1494-C1509 WeakPolarHBondContact SG-CB 3.24Å; C1494-C1509 CovalentContact SG-SG 2.03Å; C1494-C1509 PolarHBondContact SG-SG 2.94Å; C1494-T1518 PolarHBondContact N-O 2.86Å; C1494-T1518 WeakPolarHBondContact O-CG2 3.28Å; C1494-V1519 PolarHBondContact SG-N 2.9Å; C1494-V1519 VanDerWaalsContact SG-N 3.38Å; C1494-V1519 PolarHBondContact SG-O 3.35Å
1495	N	75	Confident	65.1	Low	77 Å²	77	72.5 Å²	72.5	41%	0.412	47%	0.466	S	S	.	.			trans	-118.2	116.5	175.1	-174.5	-1.4	0	0	0	109.3	L1497 T1498 S1502	N1495-L1497 VanDerWaalsContact C-N 3.34Å; N1495-L1497 WeakPolarHBondContact OD1-CB 3.45Å; N1495-L1497 PolarHBondContact OD1-N 2.87Å; N1495-T1498 PolarHBondContact O-OG1 2.94Å; N1495-S1502 PolarHBondContact N-OG 2.64Å; N1495-S1502 PolarHBondContact O-OG 3.46Å
1496	A	64	Low	65.2	Low	45 Å²	45	71.1 Å²	71.1	37%	0.372	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.3	179.5	0	0	0	0	0	114.5	V1511	A1496-V1511 HydrophobicContact CB-CG2 3.28Å
1497	L	58.8	Low	66	Low	148 Å²	148	74 Å²	74	78%	0.775	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.4	179.3	-65.4	168	0	0	0	113.3	N1495 L1569	N1495-L1497 VanDerWaalsContact C-N 3.34Å; N1495-L1497 WeakPolarHBondContact OD1-CB 3.45Å; N1495-L1497 PolarHBondContact OD1-N 2.87Å; L1497-L1569 HydrophobicContact CD2-CD2 4.48Å
1498	T	48.8	Very low	66.7	Low	69 Å²	69	68.4 Å²	68.4	42%	0.423	43%	0.432	S	S	.	.	S	Bend	trans	-103	129.8	176.9	48.7	0	0	0	0	111.4	N1495 T1500	N1495-T1498 PolarHBondContact O-OG1 2.94Å; T1498-T1500 PolarHBondContact O-N 3.33Å; T1498-T1500 VanDerWaalsContact O-N 3.15Å
1499	A	43.8	Very low	68	Low	117 Å²	117	65.1 Å²	65.1	97%	0.967	42%	0.416	S	S	*	.	S	Bend	trans	-68.3	-12.4	-169.4	0	0	0	0	0	115.9
1500	T	49.9	Very low	69.3	Low	119 Å²	119	63.3 Å²	63.3	73%	0.73	40%	0.397	S	S	*	.	S	Bend	trans	-105.6	130.3	165.7	42.3	0	0	0	0	109.4	T1498 S1502	T1498-T1500 PolarHBondContact O-N 3.33Å; T1498-T1500 VanDerWaalsContact O-N 3.15Å; T1500-S1502 PolarHBondContact O-N 3.34Å; T1500-S1502 VanDerWaalsContact O-N 3.13Å
1501	S	50.7	Low	70.2	Confident	78 Å²	78	60.5 Å²	60.5	55%	0.545	39%	0.387	S	S	.	.			trans	-53.9	118.5	-174.8	177.5	0	0	0	0	111.5	C1503	S1501-C1503 PolarHBondContact O-N 3.38Å; S1501-C1503 WeakPolarHBondContact OG-CB 3.14Å; S1501-C1503 PolarHBondContact OG-N 3.11Å; S1501-C1503 VanDerWaalsContact OG-N 3.08Å; S1501-C1503 PolarHBondContact OG-O 3.2Å
1502	S	68.1	Low	70.8	Confident	40 Å²	40	59.9 Å²	59.9	28%	0.28	38%	0.383	S	S	.	.	S	Bend	trans	-66.3	0.7	167.8	55	0	0	0	0	113.3	C1494 N1495 T1500	C1494-S1502 WeakPolarHBondContact CA-OG 3.48Å; C1494-S1502 VanDerWaalsContact CB-OG 3.3Å; C1494-S1502 WeakPolarHBondContact CB-OG 3.44Å; N1495-S1502 PolarHBondContact N-OG 2.64Å; N1495-S1502 PolarHBondContact O-OG 3.46Å; T1500-S1502 PolarHBondContact O-N 3.34Å; T1500-S1502 VanDerWaalsContact O-N 3.13Å
1503	C	76.1	Confident	70.6	Confident	7 Å²	7	58.6 Å²	58.6	5%	0.047	38%	0.382	C	S	.	.	S	Bend	trans	-112.5	136.4	176.3	-62	0	0	0	0	111.3	C1494 S1501 W1508 C1509 C1520	C1494-C1503 WeakPolarHBondContact CB-SG 3.26Å; S1501-C1503 PolarHBondContact O-N 3.38Å; S1501-C1503 WeakPolarHBondContact OG-CB 3.14Å; S1501-C1503 PolarHBondContact OG-N 3.11Å; S1501-C1503 VanDerWaalsContact OG-N 3.08Å; S1501-C1503 PolarHBondContact OG-O 3.2Å; C1503-W1508 VanDerWaalsContact SG-C 3.52Å; C1503-W1508 PolarHBondContact SG-O 2.89Å; C1503-C1509 VanDerWaalsContact SG-CA 3.56Å; C1503-C1520 WeakPolarHBondContact CA-SG 3.4Å; C1503-C1520 HydrophobicContact CB-CB 3.69Å; C1503-C1520 WeakPolarHBondContact CB-SG 3.45Å; C1503-C1520 WeakPolarHBondContact SG-CA 3.5Å; C1503-C1520 WeakPolarHBondContact SG-CB 3.48Å; C1503-C1520 CovalentContact SG-SG 2.03Å; C1503-C1520 PolarHBondContact SG-SG 3.38Å
1504	P	77.1	Confident	70.4	Confident	63 Å²	63	58.5 Å²	58.5	41%	0.409	38%	0.38	S	S	.	.			trans	-58.6	159.1	178.8	-25.3	34.9	0	0	0	114.2	L1484 G1506 Y1507	L1484-P1504 VanDerWaalsContact CD2-CD 3.49Å; L1484-P1504 HydrophobicContact CD2-CG 3.69Å; P1504-G1506 PolarHBondContact O-N 3.18Å; P1504-Y1507 WeakPolarHBondContact O-CA 2.92Å; P1504-Y1507 WeakPolarHBondContact O-CB 3.38Å; P1504-Y1507 PolarHBondContact O-N 2.03Å
1505	S	65.7	Low	70	Confident	129 Å²	129	64.7 Å²	64.7	90%	0.902	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	124.3	176	-56.1	0	0	0	0	113
1506	G	73.5	Confident	70	Confident	48 Å²	48	62.9 Å²	62.9	50%	0.495	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-11	-173	0	0	0	0	0	114.2	P1504 G1523	P1504-G1506 PolarHBondContact O-N 3.18Å; G1506-G1523 PolarHBondContact O-N 3.38Å
1507	Y	82.2	Confident	70.8	Confident	77 Å²	77	61.7 Å²	61.7	30%	0.302	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	155.6	172.4	-65.2	-102.1	0	0	0	111.2	L1484 P1504 C1521 Q1522	L1484-Y1507 HydrophobicContact CB-CD1 3.74Å; L1484-Y1507 HydrophobicContact CB-CE1 3.68Å; L1484-Y1507 HydrophobicContact CB-CG 4.41Å; L1484-Y1507 HydrophobicContact CD1-CE1 4.19Å; L1484-Y1507 HydrophobicContact CD1-CE2 4.13Å; L1484-Y1507 HydrophobicContact CD2-CG 4.48Å; L1484-Y1507 HydrophobicContact CG-CE1 4.45Å; P1504-Y1507 WeakPolarHBondContact O-CA 2.92Å; P1504-Y1507 WeakPolarHBondContact O-CB 3.38Å; P1504-Y1507 PolarHBondContact O-N 2.03Å; Y1507-C1521 CarbonylContact C-O 3.55Å; Y1507-C1521 WeakPolarHBondContact CA-O 3.31Å; Y1507-C1521 WeakPolarHBondContact CB-O 3.33Å; Y1507-C1521 WeakPolarHBondContact CD1-O 3.17Å; Y1507-Q1522 HydrophobicContact CD1-CB 4.32Å; Y1507-Q1522 HydrophobicContact CE1-CB 4.12Å
1508	W	81.8	Confident	72	Confident	34 Å²	34	55.5 Å²	55.5	13%	0.129	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.8	175.3	70.6	-71.8	0	0	0	109.5	P1479 C1503 H1510 C1520 C1521 Q1522 G1563 N1564 Q1565	P1479-W1508 HydrophobicContact CG-CZ2 4.47Å; C1503-W1508 VanDerWaalsContact SG-C 3.52Å; C1503-W1508 PolarHBondContact SG-O 2.89Å; W1508-H1510 HydrophobicContact CH2-CB 3.9Å; W1508-H1510 AromaticContact CH2-CD2 3.95Å; W1508-H1510 HydrophobicContact CZ2-CB 3.88Å; W1508-H1510 HydrophobicContact CZ3-CB 4.32Å; W1508-H1510 PolarHBondContact O-N 3.29Å; W1508-C1520 WeakPolarHBondContact O-CA 3.37Å; W1508-C1521 PolarHBondContact N-O 3.05Å; W1508-C1521 PolarHBondContact O-N 3.33Å; W1508-Q1522 PolarHBondContact NE1-O 3.4Å; W1508-G1563 WeakPolarHBondContact CH2-O 3.49Å; W1508-G1563 WeakPolarHBondContact CZ2-O 3.2Å; W1508-N1564 WeakPolarHBondContact CH2-O 3.17Å; W1508-Q1565 HydrophobicContact CB-CG 4.07Å; W1508-Q1565 HydrophobicContact CD2-CB 4.4Å; W1508-Q1565 HydrophobicContact CD2-CG 3.55Å; W1508-Q1565 HydrophobicContact CE3-CB 4.29Å; W1508-Q1565 HydrophobicContact CE3-CG 3.88Å; W1508-Q1565 HydrophobicContact CG-CG 3.61Å; W1508-Q1565 VanDerWaalsContact NE1-NE2 3.16Å
1509	C	84.5	Confident	73.8	Confident	18 Å²	18	52.3 Å²	52.3	12%	0.122	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	101.1	176.7	-177.1	0	0	0	0	110.6	C1494 C1503 V1511	C1494-C1509 HydrophobicContact CB-CB 3.65Å; C1494-C1509 WeakPolarHBondContact CB-SG 3.07Å; C1494-C1509 WeakPolarHBondContact SG-CA 3.38Å; C1494-C1509 WeakPolarHBondContact SG-CB 3.24Å; C1494-C1509 CovalentContact SG-SG 2.03Å; C1494-C1509 PolarHBondContact SG-SG 2.94Å; C1503-C1509 VanDerWaalsContact SG-CA 3.56Å; C1509-V1511 PolarHBondContact O-N 3.31Å
1510	H	86.7	Confident	75.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.7	170.7	167.5	-76.9	0	0	0	109	P1477 W1508 T1517 T1518 V1519 C1521 Y1558 K1562 G1563	P1477-H1510 PolarHBondContact O-NE2 3.07Å; W1508-H1510 HydrophobicContact CH2-CB 3.9Å; W1508-H1510 AromaticContact CH2-CD2 3.95Å; W1508-H1510 HydrophobicContact CZ2-CB 3.88Å; W1508-H1510 HydrophobicContact CZ3-CB 4.32Å; W1508-H1510 PolarHBondContact O-N 3.29Å; H1510-T1517 PolarHBondContact CE1-O 2.95Å; H1510-T1517 PolarHBondContact ND1-O 2.78Å; H1510-T1518 CarbonylContact O-C 3.39Å; H1510-T1518 VanDerWaalsContact O-CA 3.22Å; H1510-T1518 WeakPolarHBondContact O-CA 3.4Å; H1510-V1519 WeakPolarHBondContact CB-O 3.38Å; H1510-V1519 PolarHBondContact N-O 3.46Å; H1510-V1519 PolarHBondContact O-N 2.92Å; H1510-V1519 VanDerWaalsContact O-N 3.16Å; H1510-C1521 HydrophobicContact CB-CB 3.99Å; H1510-C1521 WeakPolarHBondContact CB-SG 3.09Å; H1510-Y1558 PolarHBondContact CE1-OH 3.12Å; H1510-Y1558 PolarHBondContact NE2-OH 2.95Å; H1510-K1562 PolarHBondContact NE2-N 3.24Å; H1510-G1563 PolarHBondContact CD2-O 3.49Å; H1510-G1563 PolarHBondContact NE2-N 3.15Å
1511	V	82.2	Confident	77.5	Confident	22 Å²	22	41.1 Å²	41.1	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	93.7	-179.9	-166.1	0	0	0	0	110.9	A1496 C1509 T1518 R1543 Y1558 L1569	A1496-V1511 HydrophobicContact CB-CG2 3.28Å; C1509-V1511 PolarHBondContact O-N 3.31Å; V1511-T1518 HydrophobicContact CG1-CG2 4.28Å; V1511-R1543 PolarHBondContact O-NH1 3.21Å; V1511-R1543 PolarHBondContact O-NH2 2.63Å; V1511-Y1558 WeakPolarHBondContact O-CE1 3.35Å; V1511-L1569 HydrophobicContact CB-CD1 4.08Å; V1511-L1569 HydrophobicContact CG1-CD1 4.09Å; V1511-L1569 HydrophobicContact CG1-CD2 4.46Å; V1511-L1569 HydrophobicContact CG2-CD1 3.95Å
1512	G	81	Confident	79	Confident	5 Å²	5	43 Å²	43	5%	0.052	27%	0.268	C	S	.	.			trans	-77.5	-162.5	172.3	0	0	0	0	0	113.7	T1517 G1560	G1512-T1517 WeakPolarHBondContact CA-OG1 3.06Å; G1512-T1517 PolarHBondContact N-O 2.87Å; G1512-G1560 CarbonylContact C-O 3.52Å; G1512-G1560 WeakPolarHBondContact CA-O 3.03Å
1513	A	75.3	Confident	79.2	Confident	36 Å²	36	43 Å²	43	30%	0.298	27%	0.274	S	S	.	.	S	Bend	trans	-83.9	-27.3	179.4	0	0	0	0	0	114.3	T1517 D1539 L1541 G1560	A1513-T1517 PolarHBondContact N-OG1 2.03Å; A1513-T1517 VanDerWaalsContact N-OG1 3.16Å; A1513-D1539 HydrophobicContact CB-CB 3.62Å; A1513-D1539 WeakPolarHBondContact CB-OD1 3.39Å; A1513-D1539 WeakPolarHBondContact CB-OD2 3.4Å; A1513-L1541 HydrophobicContact CB-CD1 4.06Å; A1513-G1560 PolarHBondContact N-O 3.36Å; A1513-G1560 VanDerWaalsContact N-O 3.13Å
1514	T	76.5	Confident	78.8	Confident	83 Å²	83	45.1 Å²	45.1	51%	0.509	29%	0.289	S	S	.	.	S	Bend	trans	-121.8	163.6	178	70.4	0	0	0	0	111.3	G1516 T1517 T1518	T1514-G1516 PolarHBondContact O-N 2.77Å; T1514-T1517 PolarHBondContact N-OG1 2.72Å; T1514-T1517 CarbonylContact O-C 3.51Å; T1514-T1517 WeakPolarHBondContact O-CA 3.38Å; T1514-T1517 PolarHBondContact O-N 3.17Å; T1514-T1517 PolarHBondContact O-OG1 2.88Å; T1514-T1517 PolarHBondContact OG1-N 2.89Å; T1514-T1517 PolarHBondContact OG1-OG1 3.36Å; T1514-T1518 PolarHBondContact O-N 2.8Å; T1514-T1518 VanDerWaalsContact O-N 3.07Å; T1514-T1518 PolarHBondContact O-OG1 2.75Å
1515	I	68.4	Low	78.1	Confident	143 Å²	143	54.3 Å²	54.3	73%	0.733	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-61.5	-31.7	176.2	-155.6	164.8	0	0	0	112.4	T1517 T1518	I1515-T1517 VanDerWaalsContact C-N 3.28Å; I1515-T1517 PolarHBondContact O-N 2.87Å; I1515-T1518 PolarHBondContact O-N 3.26Å; I1515-T1518 VanDerWaalsContact O-N 3.08Å
1516	G	74.3	Confident	78.5	Confident	40 Å²	40	51.3 Å²	51.3	41%	0.412	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-70	-22.2	174.1	0	0	0	0	0	114.1	T1514	T1514-G1516 PolarHBondContact O-N 2.77Å
1517	T	80.2	Confident	78.7	Confident	20 Å²	20	50.8 Å²	50.8	12%	0.123	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-95.3	1.6	169.8	55.6	0	0	0	0	113.3	P1477 H1510 G1512 A1513 T1514 I1515	P1477-T1517 HydrophobicContact CB-CG2 4.35Å; H1510-T1517 PolarHBondContact CE1-O 2.95Å; H1510-T1517 PolarHBondContact ND1-O 2.78Å; G1512-T1517 WeakPolarHBondContact CA-OG1 3.06Å; G1512-T1517 PolarHBondContact N-O 2.87Å; A1513-T1517 PolarHBondContact N-OG1 2.03Å; A1513-T1517 VanDerWaalsContact N-OG1 3.16Å; T1514-T1517 PolarHBondContact N-OG1 2.72Å; T1514-T1517 CarbonylContact O-C 3.51Å; T1514-T1517 WeakPolarHBondContact O-CA 3.38Å; T1514-T1517 PolarHBondContact O-N 3.17Å; T1514-T1517 PolarHBondContact O-OG1 2.88Å; T1514-T1517 PolarHBondContact OG1-N 2.89Å; T1514-T1517 PolarHBondContact OG1-OG1 3.36Å; I1515-T1517 VanDerWaalsContact C-N 3.28Å; I1515-T1517 PolarHBondContact O-N 2.87Å
1518	T	84.8	Confident	78.8	Confident	18 Å²	18	48 Å²	48	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	81.8	-178.7	-56.4	0	0	0	0	109.4	P1493 C1494 H1510 V1511 T1514 I1515	P1493-T1518 WeakPolarHBondContact CA-O 3.35Å; C1494-T1518 PolarHBondContact N-O 2.86Å; C1494-T1518 WeakPolarHBondContact O-CG2 3.28Å; H1510-T1518 CarbonylContact O-C 3.39Å; H1510-T1518 VanDerWaalsContact O-CA 3.22Å; H1510-T1518 WeakPolarHBondContact O-CA 3.4Å; V1511-T1518 HydrophobicContact CG1-CG2 4.28Å; T1514-T1518 PolarHBondContact O-N 2.8Å; T1514-T1518 VanDerWaalsContact O-N 3.07Å; T1514-T1518 PolarHBondContact O-OG1 2.75Å; I1515-T1518 PolarHBondContact O-N 3.26Å; I1515-T1518 VanDerWaalsContact O-N 3.08Å
1519	V	86.5	Confident	78.8	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	162.7	-164.3	-59.6	0	0	0	0	112.1	P1477 P1483 A1491 Q1492 C1494 H1510 C1521	P1477-V1519 HydrophobicContact CG-CG2 3.33Å; P1483-V1519 HydrophobicContact CB-CB 4.49Å; P1483-V1519 HydrophobicContact CB-CG2 3.9Å; P1483-V1519 HydrophobicContact CG-CG2 4.32Å; A1491-V1519 HydrophobicContact CB-CB 4.1Å; A1491-V1519 HydrophobicContact CB-CG1 3.74Å; A1491-V1519 HydrophobicContact CB-CG2 4.39Å; Q1492-V1519 VanDerWaalsContact O-CA 3.24Å; Q1492-V1519 WeakPolarHBondContact O-CA 3.44Å; Q1492-V1519 WeakPolarHBondContact O-CB 3.02Å; C1494-V1519 PolarHBondContact SG-N 2.9Å; C1494-V1519 VanDerWaalsContact SG-N 3.38Å; C1494-V1519 PolarHBondContact SG-O 3.35Å; H1510-V1519 WeakPolarHBondContact CB-O 3.38Å; H1510-V1519 PolarHBondContact N-O 3.46Å; H1510-V1519 PolarHBondContact O-N 2.92Å; H1510-V1519 VanDerWaalsContact O-N 3.16Å; V1519-C1521 PolarHBondContact O-N 2.83Å
1520	C	87.4	Confident	78.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.6	178.7	-64.1	0	0	0	0	112.2	P1483 L1484 Q1492 C1503 W1508	P1483-C1520 CarbonylContact C-O 3.51Å; P1483-C1520 WeakPolarHBondContact CA-O 2.99Å; L1484-C1520 HydrophobicContact CB-CB 3.82Å; L1484-C1520 HydrophobicContact CD2-CB 4.03Å; L1484-C1520 PolarHBondContact N-O 3.28Å; Q1492-C1520 PolarHBondContact O-N 2.82Å; C1503-C1520 WeakPolarHBondContact CA-SG 3.4Å; C1503-C1520 HydrophobicContact CB-CB 3.69Å; C1503-C1520 WeakPolarHBondContact CB-SG 3.45Å; C1503-C1520 WeakPolarHBondContact SG-CA 3.5Å; C1503-C1520 WeakPolarHBondContact SG-CB 3.48Å; C1503-C1520 CovalentContact SG-SG 2.03Å; C1503-C1520 PolarHBondContact SG-SG 3.38Å; W1508-C1520 WeakPolarHBondContact O-CA 3.37Å
1521	C	84.2	Confident	78.7	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.9	179.2	-67.9	0	0	0	0	110.6	C1478 Y1507 W1508 H1510 V1519	C1478-C1521 WeakPolarHBondContact CA-SG 3.08Å; C1478-C1521 HydrophobicContact CB-CB 3.63Å; C1478-C1521 WeakPolarHBondContact CB-SG 3.48Å; C1478-C1521 WeakPolarHBondContact SG-CA 3.43Å; C1478-C1521 WeakPolarHBondContact SG-CB 3.15Å; C1478-C1521 CovalentContact SG-SG 2.03Å; C1478-C1521 PolarHBondContact SG-SG 2.02Å; Y1507-C1521 CarbonylContact C-O 3.55Å; Y1507-C1521 WeakPolarHBondContact CA-O 3.31Å; Y1507-C1521 WeakPolarHBondContact CB-O 3.33Å; Y1507-C1521 WeakPolarHBondContact CD1-O 3.17Å; W1508-C1521 PolarHBondContact N-O 3.05Å; W1508-C1521 PolarHBondContact O-N 3.33Å; H1510-C1521 HydrophobicContact CB-CB 3.99Å; H1510-C1521 WeakPolarHBondContact CB-SG 3.09Å; V1519-C1521 PolarHBondContact O-N 2.83Å
1522	Q	82.2	Confident	78.9	Confident	118 Å²	118	59.7 Å²	59.7	55%	0.551	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	153.7	178.3	-167.4	177.1	4.1	0	0	111.1	Y1507 W1508	Y1507-Q1522 HydrophobicContact CD1-CB 4.32Å; Y1507-Q1522 HydrophobicContact CE1-CB 4.12Å; W1508-Q1522 PolarHBondContact NE1-O 3.4Å
1523	G	71.7	Confident	79.3	Confident	40 Å²	40	60.6 Å²	60.6	41%	0.412	35%	0.345	S	S	.	.			trans	159.1	-148.8	157.5	0	0	0	0	0	117	G1506 Q1565	G1506-G1523 PolarHBondContact O-N 3.38Å; G1523-Q1565 VanDerWaalsContact C-NE2 3.34Å; G1523-Q1565 VanDerWaalsContact CA-NE2 3.27Å
1524	S	67.6	Low	79.8	Confident	51 Å²	51	62.4 Å²	62.4	36%	0.357	35%	0.352	S	S	.	.			trans	-63.8	149	-166.7	-172.5	0	0	0	0	114.5	D1526	S1524-D1526 PolarHBondContact OG-N 2.92Å; S1524-D1526 VanDerWaalsContact OG-N 3.08Å; S1524-D1526 PolarHBondContact OG-O 2.03Å
1525	R	63.8	Low	80.2	Confident	256 Å²	256	59.3 Å²	59.3	97%	0.966	34%	0.337	S	S	*	.	S	Bend	trans	-76.5	-24.3	168.4	-69.1	-174.5	177.8	-173.1	-0.3	113.3
1526	D	74	Confident	80.8	Confident	67 Å²	67	56.3 Å²	56.3	36%	0.358	33%	0.325	S	S	.	.			trans	-117.8	108.4	176.9	-178.2	2.1	0	0	0	108.9	S1524 C1528 T1529	S1524-D1526 PolarHBondContact OG-N 2.92Å; S1524-D1526 VanDerWaalsContact OG-N 3.08Å; S1524-D1526 PolarHBondContact OG-O 2.03Å; D1526-C1528 WeakPolarHBondContact OD1-CB 3.45Å; D1526-C1528 PolarHBondContact OD1-N 3.33Å; D1526-T1529 PolarHBondContact O-OG1 2.86Å; D1526-T1529 WeakPolarHBondContact OD2-CG2 3.28Å; D1526-T1529 PolarHBondContact OD2-OG1 2.91Å
1527	P	77.8	Confident	81.1	Confident	36 Å²	36	55.9 Å²	55.9	23%	0.234	32%	0.321	C	S	.	.	S	Bend	trans	-63.3	-39.8	171.2	-26.4	37.6	0	0	0	113.3	T1529 L1530 Q1565 N1566 F1568	P1527-T1529 PolarHBondContact O-N 3.17Å; P1527-T1529 VanDerWaalsContact O-N 3.13Å; P1527-L1530 PolarHBondContact O-N 3.15Å; P1527-L1530 VanDerWaalsContact O-N 3.12Å; P1527-Q1565 HydrophobicContact CB-CB 3.66Å; P1527-Q1565 HydrophobicContact CG-CB 3.96Å; P1527-N1566 VanDerWaalsContact O-CB 3.24Å; P1527-N1566 WeakPolarHBondContact O-CB 3.49Å; P1527-N1566 PolarHBondContact O-ND2 2.96Å; P1527-F1568 HydrophobicContact CB-CE1 4.44Å; P1527-F1568 HydrophobicContact CB-CZ 3.94Å
1528	C	83.9	Confident	81.1	Confident	18 Å²	18	62.3 Å²	62.3	12%	0.122	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.6	-163.3	-50.4	0	0	0	0	112.5	D1526 Y1546 P1548 N1566 C1578	D1526-C1528 WeakPolarHBondContact OD1-CB 3.45Å; D1526-C1528 PolarHBondContact OD1-N 3.33Å; C1528-Y1546 HydrophobicContact CB-CD1 3.74Å; C1528-Y1546 HydrophobicContact CB-CE1 4.21Å; C1528-Y1546 HydrophobicContact CB-CG 4.32Å; C1528-P1548 WeakPolarHBondContact O-CG 3.23Å; C1528-N1566 PolarHBondContact O-ND2 2.03Å; C1528-C1578 HydrophobicContact CB-CB 4Å; C1528-C1578 WeakPolarHBondContact CB-SG 3.47Å; C1528-C1578 WeakPolarHBondContact SG-CB 3.44Å; C1528-C1578 CovalentContact SG-SG 2.04Å; C1528-C1578 PolarHBondContact SG-SG 3.34Å
1529	T	82	Confident	80.7	Confident	92 Å²	92	65 Å²	65	56%	0.564	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.4	177.8	45.2	0	0	0	0	114.7	D1526 P1527	D1526-T1529 PolarHBondContact O-OG1 2.86Å; D1526-T1529 WeakPolarHBondContact OD2-CG2 3.28Å; D1526-T1529 PolarHBondContact OD2-OG1 2.91Å; P1527-T1529 PolarHBondContact O-N 3.17Å; P1527-T1529 VanDerWaalsContact O-N 3.13Å
1530	L	83.5	Confident	80.5	Confident	36 Å²	36	71.1 Å²	71.1	19%	0.188	40%	0.395	C	S	.	.	S	Bend	trans	-76.9	150.4	-178.8	-57.5	-179.6	0	0	0	111.9	P1527 Y1545 N1564 Q1565 N1566	P1527-L1530 PolarHBondContact O-N 3.15Å; P1527-L1530 VanDerWaalsContact O-N 3.12Å; L1530-Y1545 WeakPolarHBondContact O-CE2 3.43Å; L1530-N1564 HydrophobicContact CD1-CB 4.08Å; L1530-Q1565 HydrophobicContact CD1-CB 3.77Å; L1530-Q1565 HydrophobicContact CD1-CG 4.22Å; L1530-N1566 HydrophobicContact CB-CB 4.15Å; L1530-N1566 PolarHBondContact O-ND2 3.38Å
1531	P	86.2	Confident	80.3	Confident	93 Å²	93	73.3 Å²	73.3	60%	0.604	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-69.3	154.7	176.3	29.7	-36.2	0	0	0	112	A1533 N1564	P1531-A1533 PolarHBondContact O-N 2.88Å; P1531-N1564 PolarHBondContact O-ND2 3.44Å
1532	M	86.5	Confident	80.4	Confident	100 Å²	100	77.1 Å²	77.1	49%	0.493	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-61.4	119.3	175.8	-179.4	177.1	56.3	0	0	111.1	Y1545 F1556	M1532-Y1545 VanDerWaalsContact CA-CE2 3.48Å; M1532-Y1545 HydrophobicContact CB-CD1 4.1Å; M1532-Y1545 HydrophobicContact CB-CD2 3.79Å; M1532-Y1545 HydrophobicContact CB-CE1 4Å; M1532-Y1545 HydrophobicContact CB-CE2 3.69Å; M1532-Y1545 HydrophobicContact CB-CG 4.01Å; M1532-Y1545 HydrophobicContact CG-CD1 4.42Å; M1532-Y1545 HydrophobicContact CG-CD2 4.26Å; M1532-Y1545 HydrophobicContact CG-CG 4.17Å; M1532-Y1545 HydrophobicContact SD-CD1 4.43Å; M1532-F1556 HydrophobicContact CG-CB 4.45Å; M1532-F1556 HydrophobicContact CG-CD2 3.86Å; M1532-F1556 HydrophobicContact CG-CE2 4.21Å; M1532-F1556 HydrophobicContact CG-CG 4.07Å; M1532-F1556 HydrophobicContact SD-CB 3.61Å; M1532-F1556 HydrophobicContact SD-CD2 4.07Å; M1532-F1556 HydrophobicContact SD-CG 3.89Å
1533	A	88.3	Confident	80.8	Confident	23 Å²	23	72.2 Å²	72.2	19%	0.19	41%	0.408	C	S	.	.			trans	-114.8	103.8	-178.6	0	0	0	0	0	111.8	P1531 G1535 N1564	P1531-A1533 PolarHBondContact O-N 2.88Å; A1533-G1535 PolarHBondContact O-N 3.33Å; A1533-N1564 HydrophobicContact CB-CB 4.25Å
1534	T	85.6	Confident	81.7	Confident	75 Å²	75	73 Å²	73	46%	0.46	40%	0.398	S	S	.	.			trans	-68	-19.1	179.9	53.8	0	0	0	0	114.1	Y1558 R1559	T1534-Y1558 CarbonylContact O-C 3.39Å; T1534-Y1558 WeakPolarHBondContact O-CA 3.03Å; T1534-Y1558 WeakPolarHBondContact O-CD2 2.99Å; T1534-R1559 WeakPolarHBondContact O-CB 3.31Å; T1534-R1559 PolarHBondContact O-N 3.29Å
1535	G	86.3	Confident	82.6	Confident	18 Å²	18	71.7 Å²	71.7	19%	0.186	39%	0.385	C	S	.	.			trans	73	-167.4	178.9	0	0	0	0	0	115.2	A1533 S1561	A1533-G1535 PolarHBondContact O-N 3.33Å; G1535-S1561 CarbonylContact C-O 3.58Å; G1535-S1561 WeakPolarHBondContact CA-O 3.48Å
1536	V	79.7	Confident	83.7	Confident	80 Å²	80	60.8 Å²	60.8	49%	0.485	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-128.7	158.3	177.3	-54.7	0	0	0	0	110.5	R1559 S1561 K1562	V1536-R1559 CarbonylContact C-O 3.56Å; V1536-R1559 CarbonylContact O-C 3.46Å; V1536-S1561 PolarHBondContact N-O 3.28Å; V1536-S1561 PolarHBondContact O-N 3.44Å; V1536-K1562 HydrophobicContact CG1-CB 4.49Å; V1536-K1562 HydrophobicContact CG1-CG 4.47Å; V1536-K1562 HydrophobicContact CG2-CB 3.97Å; V1536-K1562 HydrophobicContact CG2-CG 3.46Å; V1536-K1562 VanDerWaalsContact CG2-CG 3.46Å
1537	G	80.7	Confident	84.2	Confident	31 Å²	31	60.7 Å²	60.7	32%	0.32	34%	0.342	S	S	.	.	S	Bend	trans	117.7	-179.5	-174.5	0	0	0	0	0	111.8	R1559	G1537-R1559 CarbonylContact C-O 3.5Å; G1537-R1559 WeakPolarHBondContact CA-O 3.14Å; G1537-R1559 VanDerWaalsContact O-CZ 3.29Å; G1537-R1559 PolarHBondContact O-NE 2.83Å; G1537-R1559 PolarHBondContact O-NH2 2.81Å; G1537-R1559 VanDerWaalsContact O-NH2 3.07Å
1538	E	80.4	Confident	84	Confident	154 Å²	154	61.4 Å²	61.4	72%	0.72	35%	0.347	S	S	*	.	S	Bend	trans	-107.1	-3.4	-178.9	-65	-59.6	104.6	0	0	112.8	L1540 R1559	E1538-L1540 PolarHBondContact O-N 3.22Å; E1538-R1559 IonicContact OE1-CZ 2.68Å; E1538-R1559 IonicContact OE1-NH2 3.48Å; E1538-R1559 PolarHBondContact OE1-NH2 2.91Å
1539	D	77.4	Confident	83.4	Confident	74 Å²	74	67.6 Å²	67.6	40%	0.396	38%	0.379	S	S	.	.			trans	-76.9	104.9	-177.4	-53.1	-81.5	0	0	0	110.5	A1513 L1541 R1559	A1513-D1539 HydrophobicContact CB-CB 3.62Å; A1513-D1539 WeakPolarHBondContact CB-OD1 3.39Å; A1513-D1539 WeakPolarHBondContact CB-OD2 3.4Å; D1539-L1541 HydrophobicContact CB-CD1 4.24Å; D1539-L1541 HydrophobicContact CB-CD2 4.3Å; D1539-L1541 HydrophobicContact CB-CG 3.97Å; D1539-L1541 PolarHBondContact O-N 3.27Å; D1539-R1559 PolarHBondContact N-O 2.73Å; D1539-R1559 CarbonylContact O-C 3.09Å; D1539-R1559 WeakPolarHBondContact O-CA 3.48Å
1540	L	82.3	Confident	82.9	Confident	132 Å²	132	66.5 Å²	66.5	69%	0.691	37%	0.372	S	S	*	.			trans	-81.8	77.1	-179.9	-61.9	178.5	0	0	0	111.7	E1538 T1557	E1538-L1540 PolarHBondContact O-N 3.22Å; L1540-T1557 HydrophobicContact CB-CG2 4.1Å; L1540-T1557 HydrophobicContact CD2-CG2 4.02Å
1541	L	83.3	Confident	82.1	Confident	46 Å²	46	67.2 Å²	67.2	24%	0.241	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123	-173.5	-55.5	177	0	0	0	111.9	A1513 D1539 R1543 Y1558	A1513-L1541 HydrophobicContact CB-CD1 4.06Å; D1539-L1541 HydrophobicContact CB-CD1 4.24Å; D1539-L1541 HydrophobicContact CB-CD2 4.3Å; D1539-L1541 HydrophobicContact CB-CG 3.97Å; D1539-L1541 PolarHBondContact O-N 3.27Å; L1541-R1543 PolarHBondContact O-N 2.84Å; L1541-Y1558 WeakPolarHBondContact CB-O 3.45Å; L1541-Y1558 HydrophobicContact CD1-CD1 4.24Å; L1541-Y1558 PolarHBondContact N-O 3.18Å; L1541-Y1558 PolarHBondContact O-N 2.73Å
1542	P	85.6	Confident	81.7	Confident	80 Å²	80	70.4 Å²	70.4	52%	0.519	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.5	170.1	26.1	-31.3	0	0	0	110.7	Q1555	P1542-Q1555 VanDerWaalsContact CB-NE2 3.32Å
1543	R	91.3	Very high	81.6	Confident	15 Å²	15	66.1 Å²	66.1	6%	0.057	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	166.2	-179.6	-66	-67.7	-178.2	84	0.6	110.5	V1511 L1541 Q1555 F1556 Y1558 N1567 F1568	V1511-R1543 PolarHBondContact O-NH1 3.21Å; V1511-R1543 PolarHBondContact O-NH2 2.63Å; L1541-R1543 PolarHBondContact O-N 2.84Å; R1543-Q1555 CarbonylContact O-C 3.56Å; R1543-Q1555 WeakPolarHBondContact O-CA 3.47Å; R1543-Q1555 WeakPolarHBondContact O-CG 3.48Å; R1543-F1556 HydrophobicContact CB-CD1 4.11Å; R1543-F1556 HydrophobicContact CB-CE1 3.63Å; R1543-F1556 HydrophobicContact CB-CZ 4Å; R1543-F1556 PolarHBondContact N-O 2.82Å; R1543-F1556 PolarHBondContact O-N 3.07Å; R1543-F1556 VanDerWaalsContact O-O 3.12Å; R1543-Y1558 HydrophobicContact CG-CD1 4.21Å; R1543-Y1558 HydrophobicContact CG-CG 4.25Å; R1543-N1567 VanDerWaalsContact CB-OD1 3.32Å; R1543-N1567 WeakPolarHBondContact CB-OD1 3.48Å; R1543-N1567 VanDerWaalsContact CD-OD1 3.24Å; R1543-N1567 WeakPolarHBondContact CD-OD1 3.06Å; R1543-N1567 WeakPolarHBondContact CG-OD1 3.37Å; R1543-N1567 PolarHBondContact NH1-OD1 2.95Å; R1543-F1568 WeakPolarHBondContact CA-O 3.4Å
1544	W	88.7	Confident	81.3	Confident	56 Å²	56	67.5 Å²	67.5	21%	0.212	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.2	180	-65.3	79.7	0	0	0	110.3	C1553 V1554 Q1555 F1568 S1570 M1571 C1574	W1544-C1553 HydrophobicContact CE3-CB 4.17Å; W1544-V1554 WeakPolarHBondContact CA-O 3.4Å; W1544-Q1555 HydrophobicContact CD2-CB 4.27Å; W1544-Q1555 HydrophobicContact CE3-CB 4.24Å; W1544-Q1555 HydrophobicContact CH2-CB 4.26Å; W1544-Q1555 HydrophobicContact CZ2-CB 4.26Å; W1544-Q1555 HydrophobicContact CZ2-CG 4.4Å; W1544-Q1555 HydrophobicContact CZ3-CB 4.25Å; W1544-F1568 HydrophobicContact CB-CB 4.24Å; W1544-F1568 PolarHBondContact N-O 3.12Å; W1544-F1568 WeakPolarHBondContact O-CD2 3.32Å; W1544-F1568 PolarHBondContact O-N 2.05Å; W1544-S1570 VanDerWaalsContact CD1-CA 3.48Å; W1544-M1571 HydrophobicContact CD2-CB 3.87Å; W1544-M1571 HydrophobicContact CD2-CG 4.49Å; W1544-M1571 HydrophobicContact CE3-CB 3.94Å; W1544-M1571 HydrophobicContact CE3-CG 4.06Å; W1544-M1571 HydrophobicContact CH2-CB 3.96Å; W1544-M1571 HydrophobicContact CH2-CG 4.13Å; W1544-M1571 HydrophobicContact CH2-SD 3.92Å; W1544-M1571 HydrophobicContact CZ2-CB 3.89Å; W1544-M1571 HydrophobicContact CZ3-CB 3.98Å; W1544-M1571 HydrophobicContact CZ3-CG 3.86Å; W1544-M1571 HydrophobicContact CZ3-SD 3.98Å; W1544-C1574 HydrophobicContact CB-CB 3.92Å
1545	Y	88.3	Confident	81.5	Confident	23 Å²	23	69.6 Å²	69.6	9%	0.09	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.1	-178.7	165.2	-106.6	0	0	0	107.8	L1530 M1532 E1547 P1548 C1553 V1554 N1566	L1530-Y1545 WeakPolarHBondContact O-CE2 3.43Å; M1532-Y1545 VanDerWaalsContact CA-CE2 3.48Å; M1532-Y1545 HydrophobicContact CB-CD1 4.1Å; M1532-Y1545 HydrophobicContact CB-CD2 3.79Å; M1532-Y1545 HydrophobicContact CB-CE1 4Å; M1532-Y1545 HydrophobicContact CB-CE2 3.69Å; M1532-Y1545 HydrophobicContact CB-CG 4.01Å; M1532-Y1545 HydrophobicContact CG-CD1 4.42Å; M1532-Y1545 HydrophobicContact CG-CD2 4.26Å; M1532-Y1545 HydrophobicContact CG-CG 4.17Å; M1532-Y1545 HydrophobicContact SD-CD1 4.43Å; Y1545-E1547 HydrophobicContact CD1-CB 4.22Å; Y1545-E1547 HydrophobicContact CE1-CB 3.83Å; Y1545-E1547 HydrophobicContact CE1-CG 4.28Å; Y1545-P1548 WeakPolarHBondContact OH-CD 3.42Å; Y1545-C1553 WeakPolarHBondContact O-CA 3.31Å; Y1545-V1554 HydrophobicContact CD1-CG2 3.75Å; Y1545-V1554 PolarHBondContact N-O 3.48Å; Y1545-V1554 PolarHBondContact O-N 2.83Å; Y1545-N1566 HydrophobicContact CD2-CB 3.85Å; Y1545-N1566 WeakPolarHBondContact CD2-ND2 3.23Å; Y1545-N1566 WeakPolarHBondContact CD2-OD1 3.24Å; Y1545-N1566 HydrophobicContact CE2-CB 3.99Å; Y1545-N1566 VanDerWaalsContact CE2-CG 3.44Å; Y1545-N1566 WeakPolarHBondContact CE2-ND2 3.38Å
1546	Y	86.8	Confident	81.7	Confident	27 Å²	27	69.6 Å²	69.6	11%	0.106	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	116.3	170	-179.4	-96.9	0	0	0	109	C1528 P1548 E1551 N1566 C1578	C1528-Y1546 HydrophobicContact CB-CD1 3.74Å; C1528-Y1546 HydrophobicContact CB-CE1 4.21Å; C1528-Y1546 HydrophobicContact CB-CG 4.32Å; Y1546-P1548 WeakPolarHBondContact O-CD 3.16Å; Y1546-E1551 WeakPolarHBondContact OH-CA 3.5Å; Y1546-N1566 PolarHBondContact N-OD1 3.05Å; Y1546-N1566 PolarHBondContact O-ND2 2.81Å; Y1546-C1578 VanDerWaalsContact CB-SG 3.6Å; Y1546-C1578 HydrophobicContact CD1-CB 4.04Å; Y1546-C1578 HydrophobicContact CD2-CB 3.21Å; Y1546-C1578 HydrophobicContact CE1-CB 4.45Å; Y1546-C1578 HydrophobicContact CE2-CB 3.69Å; Y1546-C1578 HydrophobicContact CG-CB 3.38Å
1547	E	84.2	Confident	82.1	Confident	65 Å²	65	69.5 Å²	69.5	30%	0.304	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.2	177.4	-177	175	-126	0	0	109.7	Y1545 N1549 T1550 E1551 R1552 V1554	Y1545-E1547 HydrophobicContact CD1-CB 4.22Å; Y1545-E1547 HydrophobicContact CE1-CB 3.83Å; Y1545-E1547 HydrophobicContact CE1-CG 4.28Å; E1547-N1549 HydrophobicContact CG-CB 4.46Å; E1547-N1549 PolarHBondContact O-N 3.01Å; E1547-N1549 VanDerWaalsContact O-N 3.1Å; E1547-T1550 PolarHBondContact O-N 3.02Å; E1547-T1550 WeakPolarHBondContact OE2-CB 3.32Å; E1547-T1550 WeakPolarHBondContact OE2-CG2 3.36Å; E1547-T1550 PolarHBondContact OE2-OG1 3.39Å; E1547-E1551 PolarHBondContact O-N 3.21Å; E1547-E1551 VanDerWaalsContact O-N 3.07Å; E1547-R1552 PolarHBondContact N-O 2.86Å; E1547-V1554 HydrophobicContact CB-CG2 4.2Å
1548	P	72.9	Confident	82.6	Confident	52 Å²	52	68 Å²	68	34%	0.338	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.8	-172.5	-22.1	32.3	0	0	0	113.6	C1528 Y1545 Y1546	C1528-P1548 WeakPolarHBondContact O-CG 3.23Å; Y1545-P1548 WeakPolarHBondContact OH-CD 3.42Å; Y1546-P1548 WeakPolarHBondContact O-CD 3.16Å
1549	N	70.9	Confident	83	Confident	148 Å²	148	65.5 Å²	65.5	79%	0.791	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-25.5	-174.8	-58.8	-30.4	0	0	0	113.2	E1547	E1547-N1549 HydrophobicContact CG-CB 4.46Å; E1547-N1549 PolarHBondContact O-N 3.01Å; E1547-N1549 VanDerWaalsContact O-N 3.1Å
1550	T	72.5	Confident	83.2	Confident	68 Å²	68	62 Å²	62	42%	0.417	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-6.4	-177.8	61.7	0	0	0	0	113.3	E1547 R1552	E1547-T1550 PolarHBondContact O-N 3.02Å; E1547-T1550 WeakPolarHBondContact OE2-CB 3.32Å; E1547-T1550 WeakPolarHBondContact OE2-CG2 3.36Å; E1547-T1550 PolarHBondContact OE2-OG1 3.39Å; T1550-R1552 PolarHBondContact O-N 3.4Å
1551	E	66.3	Low	83.4	Confident	52 Å²	52	56.8 Å²	56.8	24%	0.243	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.6	-177.4	-58	177.9	130.9	0	0	112.4	Y1546 E1547 R1591	Y1546-E1551 WeakPolarHBondContact OH-CA 3.5Å; E1547-E1551 PolarHBondContact O-N 3.21Å; E1547-E1551 VanDerWaalsContact O-N 3.07Å; E1551-R1591 IonicContact OE1-NH1 2.73Å; E1551-R1591 PolarHBondContact OE1-NH1 2.76Å; E1551-R1591 IonicContact OE2-CZ 2.83Å; E1551-R1591 VanDerWaalsContact OE2-CZ 3.23Å; E1551-R1591 IonicContact OE2-NH1 3.23Å; E1551-R1591 PolarHBondContact OE2-NH1 3.36Å; E1551-R1591 IonicContact OE2-NH2 2.61Å; E1551-R1591 PolarHBondContact OE2-NH2 3.45Å
1552	R	78.5	Confident	83.6	Confident	159 Å²	159	57.8 Å²	57.8	60%	0.6	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.5	-175.8	-75.1	178.5	178.6	-168.2	-1.4	112.6	E1547 T1550	E1547-R1552 PolarHBondContact N-O 2.86Å; T1550-R1552 PolarHBondContact O-N 3.4Å
1553	C	83.6	Confident	83.5	Confident	11 Å²	11	54 Å²	54	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	115.9	168.7	-69.9	0	0	0	0	110.1	W1544 Y1545 C1574 E1580	W1544-C1553 HydrophobicContact CE3-CB 4.17Å; Y1545-C1553 WeakPolarHBondContact O-CA 3.31Å; C1553-C1574 HydrophobicContact CB-CB 3.75Å; C1553-C1574 WeakPolarHBondContact CB-SG 3.46Å; C1553-C1574 WeakPolarHBondContact SG-CB 3.06Å; C1553-C1574 CovalentContact SG-SG 2.03Å; C1553-C1574 PolarHBondContact SG-SG 3.09Å; C1553-E1580 WeakPolarHBondContact CB-OE1 3.19Å; C1553-E1580 PolarHBondContact N-OE1 2.88Å
1554	V	82.5	Confident	83.4	Confident	51 Å²	51	54.2 Å²	54.2	31%	0.309	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.8	177.8	-61.2	0	0	0	0	110.5	W1544 Y1545 E1547	W1544-V1554 WeakPolarHBondContact CA-O 3.4Å; Y1545-V1554 HydrophobicContact CD1-CG2 3.75Å; Y1545-V1554 PolarHBondContact N-O 3.48Å; Y1545-V1554 PolarHBondContact O-N 2.83Å; E1547-V1554 HydrophobicContact CB-CG2 4.2Å
1555	Q	88.6	Confident	83.2	Confident	120 Å²	120	52.3 Å²	52.3	56%	0.561	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.4	-178.7	-166.9	-178.3	4	0	0	111.1	P1542 R1543 W1544	P1542-Q1555 VanDerWaalsContact CB-NE2 3.32Å; R1543-Q1555 CarbonylContact O-C 3.56Å; R1543-Q1555 WeakPolarHBondContact O-CA 3.47Å; R1543-Q1555 WeakPolarHBondContact O-CG 3.48Å; W1544-Q1555 HydrophobicContact CD2-CB 4.27Å; W1544-Q1555 HydrophobicContact CE3-CB 4.24Å; W1544-Q1555 HydrophobicContact CH2-CB 4.26Å; W1544-Q1555 HydrophobicContact CZ2-CB 4.26Å; W1544-Q1555 HydrophobicContact CZ2-CG 4.4Å; W1544-Q1555 HydrophobicContact CZ3-CB 4.25Å
1556	F	90.6	Very high	83.3	Confident	17 Å²	17	51.2 Å²	51.2	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	169.4	174.4	80.7	-74.2	0	0	0	111.7	M1532 R1543 N1567	M1532-F1556 HydrophobicContact CG-CB 4.45Å; M1532-F1556 HydrophobicContact CG-CD2 3.86Å; M1532-F1556 HydrophobicContact CG-CE2 4.21Å; M1532-F1556 HydrophobicContact CG-CG 4.07Å; M1532-F1556 HydrophobicContact SD-CB 3.61Å; M1532-F1556 HydrophobicContact SD-CD2 4.07Å; M1532-F1556 HydrophobicContact SD-CG 3.89Å; R1543-F1556 HydrophobicContact CB-CD1 4.11Å; R1543-F1556 HydrophobicContact CB-CE1 3.63Å; R1543-F1556 HydrophobicContact CB-CZ 4Å; R1543-F1556 PolarHBondContact N-O 2.82Å; R1543-F1556 PolarHBondContact O-N 3.07Å; R1543-F1556 VanDerWaalsContact O-O 3.12Å; F1556-N1567 HydrophobicContact CZ-CB 4.11Å
1557	T	88.1	Confident	83.4	Confident	78 Å²	78	50.5 Å²	50.5	48%	0.479	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.1	177.2	-51.5	0	0	0	0	110.5	L1540	L1540-T1557 HydrophobicContact CB-CG2 4.1Å; L1540-T1557 HydrophobicContact CD2-CG2 4.02Å
1558	Y	92.4	Very high	83.5	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.4	-178.7	173.4	-118.7	0	0	0	110.8	H1510 V1511 T1534 L1541 R1543 S1561 G1563 N1567	H1510-Y1558 PolarHBondContact CE1-OH 3.12Å; H1510-Y1558 PolarHBondContact NE2-OH 2.95Å; V1511-Y1558 WeakPolarHBondContact O-CE1 3.35Å; T1534-Y1558 CarbonylContact O-C 3.39Å; T1534-Y1558 WeakPolarHBondContact O-CA 3.03Å; T1534-Y1558 WeakPolarHBondContact O-CD2 2.99Å; L1541-Y1558 WeakPolarHBondContact CB-O 3.45Å; L1541-Y1558 HydrophobicContact CD1-CD1 4.24Å; L1541-Y1558 PolarHBondContact N-O 3.18Å; L1541-Y1558 PolarHBondContact O-N 2.73Å; R1543-Y1558 HydrophobicContact CG-CD1 4.21Å; R1543-Y1558 HydrophobicContact CG-CG 4.25Å; Y1558-S1561 WeakPolarHBondContact OH-CA 3.47Å; Y1558-S1561 PolarHBondContact OH-N 2.99Å; Y1558-S1561 PolarHBondContact OH-O 3.41Å; Y1558-G1563 VanDerWaalsContact CE2-CA 3.41Å; Y1558-G1563 PolarHBondContact OH-N 3.26Å; Y1558-G1563 VanDerWaalsContact OH-N 3.08Å; Y1558-N1567 WeakPolarHBondContact CD2-ND2 3.41Å; Y1558-N1567 WeakPolarHBondContact CE2-ND2 3.23Å; Y1558-N1567 VanDerWaalsContact CG-ND2 3.28Å
1559	R	88.3	Confident	84	Confident	101 Å²	101	49.5 Å²	49.5	38%	0.381	24%	0.244	S	C	.	.			trans	-87.3	2.9	-167.8	-67.3	-171.1	72.2	160	3.1	116.8	T1534 V1536 G1537 E1538 D1539	T1534-R1559 WeakPolarHBondContact O-CB 3.31Å; T1534-R1559 PolarHBondContact O-N 3.29Å; V1536-R1559 CarbonylContact C-O 3.56Å; V1536-R1559 CarbonylContact O-C 3.46Å; G1537-R1559 CarbonylContact C-O 3.5Å; G1537-R1559 WeakPolarHBondContact CA-O 3.14Å; G1537-R1559 VanDerWaalsContact O-CZ 3.29Å; G1537-R1559 PolarHBondContact O-NE 2.83Å; G1537-R1559 PolarHBondContact O-NH2 2.81Å; G1537-R1559 VanDerWaalsContact O-NH2 3.07Å; E1538-R1559 IonicContact OE1-CZ 2.68Å; E1538-R1559 IonicContact OE1-NH2 3.48Å; E1538-R1559 PolarHBondContact OE1-NH2 2.91Å; D1539-R1559 PolarHBondContact N-O 2.73Å; D1539-R1559 CarbonylContact O-C 3.09Å; D1539-R1559 WeakPolarHBondContact O-CA 3.48Å
1560	G	82	Confident	84.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	102.9	-16.6	171.7	0	0	0	0	0	117.2	G1512 A1513	G1512-G1560 CarbonylContact C-O 3.52Å; G1512-G1560 WeakPolarHBondContact CA-O 3.03Å; A1513-G1560 PolarHBondContact N-O 3.36Å; A1513-G1560 VanDerWaalsContact N-O 3.13Å
1561	S	87	Confident	84.8	Confident	22 Å²	22	43.5 Å²	43.5	15%	0.154	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-151.2	167	171.6	-81.3	0	0	0	0	112.8	G1535 V1536 Y1558 G1563	G1535-S1561 CarbonylContact C-O 3.58Å; G1535-S1561 WeakPolarHBondContact CA-O 3.48Å; V1536-S1561 PolarHBondContact N-O 3.28Å; V1536-S1561 PolarHBondContact O-N 3.44Å; Y1558-S1561 WeakPolarHBondContact OH-CA 3.47Å; Y1558-S1561 PolarHBondContact OH-N 2.99Å; Y1558-S1561 PolarHBondContact OH-O 3.41Å; S1561-G1563 VanDerWaalsContact C-N 3.26Å; S1561-G1563 PolarHBondContact O-N 3.44Å
1562	K	87.4	Confident	85.2	Confident	67 Å²	67	46.6 Å²	46.6	29%	0.291	23%	0.225	S	C	.	.	S	Bend	trans	61	25.9	-179.8	-55	-68.7	177.1	-179.6	0	114.8	N1476 P1477 C1478 H1510 V1536	N1476-K1562 WeakPolarHBondContact O-CE 3.48Å; N1476-K1562 PolarHBondContact O-NZ 3.07Å; P1477-K1562 VanDerWaalsContact O-CA 3.29Å; P1477-K1562 WeakPolarHBondContact O-CA 3.28Å; P1477-K1562 PolarHBondContact O-N 3.21Å; C1478-K1562 WeakPolarHBondContact O-CD 3.38Å; C1478-K1562 WeakPolarHBondContact O-CE 3.48Å; C1478-K1562 PolarHBondContact O-NZ 2.97Å; H1510-K1562 PolarHBondContact NE2-N 3.24Å; V1536-K1562 HydrophobicContact CG1-CB 4.49Å; V1536-K1562 HydrophobicContact CG1-CG 4.47Å; V1536-K1562 HydrophobicContact CG2-CB 3.97Å; V1536-K1562 HydrophobicContact CG2-CG 3.46Å; V1536-K1562 VanDerWaalsContact CG2-CG 3.46Å
1563	G	83.6	Confident	85.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.			trans	-77.5	158.8	169.9	0	0	0	0	0	112.3	P1479 W1508 H1510 Y1558 S1561	P1479-G1563 VanDerWaalsContact CD-O 3.31Å; P1479-G1563 WeakPolarHBondContact CD-O 3.38Å; P1479-G1563 VanDerWaalsContact CG-O 3.27Å; P1479-G1563 WeakPolarHBondContact CG-O 3.03Å; W1508-G1563 WeakPolarHBondContact CH2-O 3.49Å; W1508-G1563 WeakPolarHBondContact CZ2-O 3.2Å; H1510-G1563 PolarHBondContact CD2-O 3.49Å; H1510-G1563 PolarHBondContact NE2-N 3.15Å; Y1558-G1563 VanDerWaalsContact CE2-CA 3.41Å; Y1558-G1563 PolarHBondContact OH-N 3.26Å; Y1558-G1563 VanDerWaalsContact OH-N 3.08Å; S1561-G1563 VanDerWaalsContact C-N 3.26Å; S1561-G1563 PolarHBondContact O-N 3.44Å
1564	N	87.8	Confident	85.1	Confident	19 Å²	19	40.3 Å²	40.3	10%	0.102	21%	0.208	C	C	.	.			trans	-102.8	-178.1	170.1	70.6	19.3	0	0	0	111.3	W1508 L1530 P1531 A1533 N1566 N1567	W1508-N1564 WeakPolarHBondContact CH2-O 3.17Å; L1530-N1564 HydrophobicContact CD1-CB 4.08Å; P1531-N1564 PolarHBondContact O-ND2 3.44Å; A1533-N1564 HydrophobicContact CB-CB 4.25Å; N1564-N1566 VanDerWaalsContact C-N 3.26Å; N1564-N1566 PolarHBondContact O-N 2.94Å; N1564-N1566 PolarHBondContact OD1-N 2.98Å; N1564-N1567 WeakPolarHBondContact O-CB 3.43Å
1565	Q	86.2	Confident	84.9	Confident	16 Å²	16	43 Å²	43	8%	0.075	21%	0.213	C	C	.	.	S	Bend	trans	-63.1	-24.5	-173.6	-67.3	73.1	-12.3	0	0	114.1	W1508 G1523 P1527 L1530 N1567	W1508-Q1565 HydrophobicContact CB-CG 4.07Å; W1508-Q1565 HydrophobicContact CD2-CB 4.4Å; W1508-Q1565 HydrophobicContact CD2-CG 3.55Å; W1508-Q1565 HydrophobicContact CE3-CB 4.29Å; W1508-Q1565 HydrophobicContact CE3-CG 3.88Å; W1508-Q1565 HydrophobicContact CG-CG 3.61Å; W1508-Q1565 VanDerWaalsContact NE1-NE2 3.16Å; G1523-Q1565 VanDerWaalsContact C-NE2 3.34Å; G1523-Q1565 VanDerWaalsContact CA-NE2 3.27Å; P1527-Q1565 HydrophobicContact CB-CB 3.66Å; P1527-Q1565 HydrophobicContact CG-CB 3.96Å; L1530-Q1565 HydrophobicContact CD1-CB 3.77Å; L1530-Q1565 HydrophobicContact CD1-CG 4.22Å; Q1565-N1567 PolarHBondContact O-N 3.18Å
1566	N	88.4	Confident	84.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-81.7	56.1	-178.1	-153.9	-16.5	0	0	0	110.6	P1527 C1528 L1530 Y1545 Y1546 N1564 F1568	P1527-N1566 VanDerWaalsContact O-CB 3.24Å; P1527-N1566 WeakPolarHBondContact O-CB 3.49Å; P1527-N1566 PolarHBondContact O-ND2 2.96Å; C1528-N1566 PolarHBondContact O-ND2 2.03Å; L1530-N1566 HydrophobicContact CB-CB 4.15Å; L1530-N1566 PolarHBondContact O-ND2 3.38Å; Y1545-N1566 HydrophobicContact CD2-CB 3.85Å; Y1545-N1566 WeakPolarHBondContact CD2-ND2 3.23Å; Y1545-N1566 WeakPolarHBondContact CD2-OD1 3.24Å; Y1545-N1566 HydrophobicContact CE2-CB 3.99Å; Y1545-N1566 VanDerWaalsContact CE2-CG 3.44Å; Y1545-N1566 WeakPolarHBondContact CE2-ND2 3.38Å; Y1546-N1566 PolarHBondContact N-OD1 3.05Å; Y1546-N1566 PolarHBondContact O-ND2 2.81Å; N1564-N1566 VanDerWaalsContact C-N 3.26Å; N1564-N1566 PolarHBondContact O-N 2.94Å; N1564-N1566 PolarHBondContact OD1-N 2.98Å; N1566-F1568 WeakPolarHBondContact OD1-CE2 3.48Å
1567	N	89.7	Confident	83.1	Confident	12 Å²	12	43.5 Å²	43.5	6%	0.064	24%	0.241	C	C	.	.			trans	-150.5	84.3	-168.2	-177	-21.3	0	0	0	109	R1543 F1556 Y1558 N1564 Q1565	R1543-N1567 VanDerWaalsContact CB-OD1 3.32Å; R1543-N1567 WeakPolarHBondContact CB-OD1 3.48Å; R1543-N1567 VanDerWaalsContact CD-OD1 3.24Å; R1543-N1567 WeakPolarHBondContact CD-OD1 3.06Å; R1543-N1567 WeakPolarHBondContact CG-OD1 3.37Å; R1543-N1567 PolarHBondContact NH1-OD1 2.95Å; F1556-N1567 HydrophobicContact CZ-CB 4.11Å; Y1558-N1567 WeakPolarHBondContact CD2-ND2 3.41Å; Y1558-N1567 WeakPolarHBondContact CE2-ND2 3.23Å; Y1558-N1567 VanDerWaalsContact CG-ND2 3.28Å; N1564-N1567 WeakPolarHBondContact O-CB 3.43Å; Q1565-N1567 PolarHBondContact O-N 3.18Å
1568	F	86.8	Confident	82.5	Confident	24 Å²	24	40 Å²	40	11%	0.105	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-96.6	147.2	-174.6	-53.7	-75.8	0	0	0	111.6	P1527 R1543 W1544 N1566 A1573 C1574 A1577 C1578	P1527-F1568 HydrophobicContact CB-CE1 4.44Å; P1527-F1568 HydrophobicContact CB-CZ 3.94Å; R1543-F1568 WeakPolarHBondContact CA-O 3.4Å; W1544-F1568 HydrophobicContact CB-CB 4.24Å; W1544-F1568 PolarHBondContact N-O 3.12Å; W1544-F1568 WeakPolarHBondContact O-CD2 3.32Å; W1544-F1568 PolarHBondContact O-N 2.05Å; N1566-F1568 WeakPolarHBondContact OD1-CE2 3.48Å; F1568-A1573 HydrophobicContact CB-CB 4.28Å; F1568-C1574 HydrophobicContact CB-CB 3.83Å; F1568-C1574 HydrophobicContact CD2-CB 3.57Å; F1568-C1574 HydrophobicContact CE2-CB 4.35Å; F1568-C1574 HydrophobicContact CG-CB 3.82Å; F1568-A1577 HydrophobicContact CD1-CB 4.12Å; F1568-A1577 HydrophobicContact CE1-CB 3.36Å; F1568-A1577 HydrophobicContact CZ-CB 3.7Å; F1568-C1578 VanDerWaalsContact CZ-SG 3.58Å
1569	L	82.4	Confident	81.2	Confident	73 Å²	73	49.6 Å²	49.6	38%	0.382	26%	0.255	S	S	.	.	S	Bend	trans	-74.6	-27.6	-177.2	-84.7	64.2	0	0	0	113.1	L1497 V1511	L1497-L1569 HydrophobicContact CD2-CD2 4.48Å; V1511-L1569 HydrophobicContact CB-CD1 4.08Å; V1511-L1569 HydrophobicContact CG1-CD1 4.09Å; V1511-L1569 HydrophobicContact CG1-CD2 4.46Å; V1511-L1569 HydrophobicContact CG2-CD1 3.95Å
1570	S	82.2	Confident	79.9	Confident	37 Å²	37	48.1 Å²	48.1	26%	0.259	25%	0.253	S	S	.	.	S	Bend	trans	-142.6	167.5	178.3	87.8	0	0	0	0	112	W1544 E1572 A1573 C1574	W1544-S1570 VanDerWaalsContact CD1-CA 3.48Å; S1570-E1572 VanDerWaalsContact C-N 3.3Å; S1570-E1572 WeakPolarHBondContact CB-OE2 3.47Å; S1570-E1572 PolarHBondContact OG-N 3.49Å; S1570-E1572 PolarHBondContact OG-OE2 2.94Å; S1570-A1573 PolarHBondContact O-N 2.04Å; S1570-A1573 PolarHBondContact OG-N 3Å; S1570-A1573 VanDerWaalsContact OG-N 3.09Å; S1570-C1574 PolarHBondContact O-N 2.75Å
1571	M	79	Confident	78.9	Confident	52 Å²	52	51 Å²	51	26%	0.256	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-37	174.2	-174	176.7	53.1	0	0	111.2	W1544 C1574 R1575	W1544-M1571 HydrophobicContact CD2-CB 3.87Å; W1544-M1571 HydrophobicContact CD2-CG 4.49Å; W1544-M1571 HydrophobicContact CE3-CB 3.94Å; W1544-M1571 HydrophobicContact CE3-CG 4.06Å; W1544-M1571 HydrophobicContact CH2-CB 3.96Å; W1544-M1571 HydrophobicContact CH2-CG 4.13Å; W1544-M1571 HydrophobicContact CH2-SD 3.92Å; W1544-M1571 HydrophobicContact CZ2-CB 3.89Å; W1544-M1571 HydrophobicContact CZ3-CB 3.98Å; W1544-M1571 HydrophobicContact CZ3-CG 3.86Å; W1544-M1571 HydrophobicContact CZ3-SD 3.98Å; M1571-C1574 PolarHBondContact O-N 3.11Å; M1571-R1575 WeakPolarHBondContact O-CB 3.37Å; M1571-R1575 WeakPolarHBondContact O-CG 3.28Å; M1571-R1575 PolarHBondContact O-N 2.83Å; M1571-R1575 VanDerWaalsContact SD-CZ 3.52Å
1572	E	74.9	Confident	77.9	Confident	117 Å²	117	59.9 Å²	59.9	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-41.4	175.5	-55.1	69.7	-148.2	0	0	111.3	S1570 C1574 R1575 A1576	S1570-E1572 VanDerWaalsContact C-N 3.3Å; S1570-E1572 WeakPolarHBondContact CB-OE2 3.47Å; S1570-E1572 PolarHBondContact OG-N 3.49Å; S1570-E1572 PolarHBondContact OG-OE2 2.94Å; E1572-C1574 VanDerWaalsContact C-N 3.34Å; E1572-R1575 PolarHBondContact O-N 3.12Å; E1572-A1576 WeakPolarHBondContact O-CB 3.06Å; E1572-A1576 PolarHBondContact O-N 2.82Å
1573	A	76.7	Confident	77.3	Confident	39 Å²	39	60 Å²	60	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-41.5	175.1	0	0	0	0	0	111.4	F1568 S1570 A1577	F1568-A1573 HydrophobicContact CB-CB 4.28Å; S1570-A1573 PolarHBondContact O-N 2.04Å; S1570-A1573 PolarHBondContact OG-N 3Å; S1570-A1573 VanDerWaalsContact OG-N 3.09Å; A1573-A1577 WeakPolarHBondContact O-CB 3.48Å; A1573-A1577 PolarHBondContact O-N 3Å
1574	C	83.9	Confident	77	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-44.9	172.7	-179.6	0	0	0	0	111.8	W1544 C1553 F1568 S1570 M1571 E1572 A1576 A1577 C1578	W1544-C1574 HydrophobicContact CB-CB 3.92Å; C1553-C1574 HydrophobicContact CB-CB 3.75Å; C1553-C1574 WeakPolarHBondContact CB-SG 3.46Å; C1553-C1574 WeakPolarHBondContact SG-CB 3.06Å; C1553-C1574 CovalentContact SG-SG 2.03Å; C1553-C1574 PolarHBondContact SG-SG 3.09Å; F1568-C1574 HydrophobicContact CB-CB 3.83Å; F1568-C1574 HydrophobicContact CD2-CB 3.57Å; F1568-C1574 HydrophobicContact CE2-CB 4.35Å; F1568-C1574 HydrophobicContact CG-CB 3.82Å; S1570-C1574 PolarHBondContact O-N 2.75Å; M1571-C1574 PolarHBondContact O-N 3.11Å; E1572-C1574 VanDerWaalsContact C-N 3.34Å; C1574-A1576 PolarHBondContact O-N 3.36Å; C1574-A1577 PolarHBondContact O-N 3.34Å; C1574-C1578 CarbonylContact O-C 3.51Å; C1574-C1578 WeakPolarHBondContact O-CA 3.22Å; C1574-C1578 WeakPolarHBondContact O-CB 3.43Å; C1574-C1578 PolarHBondContact O-N 3.05Å; C1574-C1578 VanDerWaalsContact O-O 3.13Å
1575	R	76.9	Confident	76.7	Confident	108 Å²	108	60 Å²	60	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-33.3	178.7	-75.7	167.9	172.2	-173.3	-13.7	113.9	M1571 E1572 C1578 E1580	M1571-R1575 WeakPolarHBondContact O-CB 3.37Å; M1571-R1575 WeakPolarHBondContact O-CG 3.28Å; M1571-R1575 PolarHBondContact O-N 2.83Å; M1571-R1575 VanDerWaalsContact SD-CZ 3.52Å; E1572-R1575 PolarHBondContact O-N 3.12Å; R1575-C1578 WeakPolarHBondContact CA-O 3.31Å; R1575-C1578 CarbonylContact O-C 3.52Å; R1575-E1580 HydrophobicContact CG-CG 4.05Å; R1575-E1580 WeakPolarHBondContact CG-OE1 3.32Å; R1575-E1580 IonicContact CZ-OE1 2.77Å; R1575-E1580 IonicContact CZ-OE2 3.61Å; R1575-E1580 VanDerWaalsContact CZ-OE2 3.29Å; R1575-E1580 IonicContact NE-OE1 3.17Å; R1575-E1580 PolarHBondContact NE-OE1 3.11Å; R1575-E1580 IonicContact NE-OE2 3.25Å; R1575-E1580 PolarHBondContact NE-OE2 3.26Å; R1575-E1580 VanDerWaalsContact NE-OE2 3.11Å; R1575-E1580 IonicContact NH2-OE1 2.99Å; R1575-E1580 PolarHBondContact NH2-OE1 3.46Å; R1575-E1580 IonicContact NH2-OE2 2.95Å; R1575-E1580 PolarHBondContact NH2-OE2 3.45Å
1576	A	71.2	Confident	76.2	Confident	92 Å²	92	65 Å²	65	76%	0.76	33%	0.326	S	S	*	.	H	α-helix	trans	-74.9	-33.8	177	0	0	0	0	0	112	E1572 C1574	E1572-A1576 WeakPolarHBondContact O-CB 3.06Å; E1572-A1576 PolarHBondContact O-N 2.82Å; C1574-A1576 PolarHBondContact O-N 3.36Å
1577	A	70.9	Confident	75.7	Confident	55 Å²	55	67 Å²	67	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-79.9	-38.9	172.8	0	0	0	0	0	112.8	F1568 A1573 C1574	F1568-A1577 HydrophobicContact CD1-CB 4.12Å; F1568-A1577 HydrophobicContact CE1-CB 3.36Å; F1568-A1577 HydrophobicContact CZ-CB 3.7Å; A1573-A1577 WeakPolarHBondContact O-CB 3.48Å; A1573-A1577 PolarHBondContact O-N 3Å; C1574-A1577 PolarHBondContact O-N 3.34Å
1578	C	76.1	Confident	75.2	Confident	4 Å²	4	73.4 Å²	73.4	3%	0.027	38%	0.376	C	S	.	.	S	Bend	trans	-135.4	103.5	-172	-45.7	0	0	0	0	110	C1528 Y1546 F1568 C1574 R1575	C1528-C1578 HydrophobicContact CB-CB 4Å; C1528-C1578 WeakPolarHBondContact CB-SG 3.47Å; C1528-C1578 WeakPolarHBondContact SG-CB 3.44Å; C1528-C1578 CovalentContact SG-SG 2.04Å; C1528-C1578 PolarHBondContact SG-SG 3.34Å; Y1546-C1578 VanDerWaalsContact CB-SG 3.6Å; Y1546-C1578 HydrophobicContact CD1-CB 4.04Å; Y1546-C1578 HydrophobicContact CD2-CB 3.21Å; Y1546-C1578 HydrophobicContact CE1-CB 4.45Å; Y1546-C1578 HydrophobicContact CE2-CB 3.69Å; Y1546-C1578 HydrophobicContact CG-CB 3.38Å; F1568-C1578 VanDerWaalsContact CZ-SG 3.58Å; C1574-C1578 CarbonylContact O-C 3.51Å; C1574-C1578 WeakPolarHBondContact O-CA 3.22Å; C1574-C1578 WeakPolarHBondContact O-CB 3.43Å; C1574-C1578 PolarHBondContact O-N 3.05Å; C1574-C1578 VanDerWaalsContact O-O 3.13Å; R1575-C1578 WeakPolarHBondContact CA-O 3.31Å; R1575-C1578 CarbonylContact O-C 3.52Å
1579	R	64.9	Low	74.9	Confident	203 Å²	203	72.5 Å²	72.5	77%	0.766	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-61.2	136.4	-173.5	64.1	-168.4	-179.7	-178.8	1.5	114.1
1580	E	59.7	Low	74.8	Confident	70 Å²	70	69.3 Å²	69.3	33%	0.327	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-92.7	143.6	172.1	-80.3	-176.4	-159.2	0	0	112.7	C1553 R1575	C1553-E1580 WeakPolarHBondContact CB-OE1 3.19Å; C1553-E1580 PolarHBondContact N-OE1 2.88Å; R1575-E1580 HydrophobicContact CG-CG 4.05Å; R1575-E1580 WeakPolarHBondContact CG-OE1 3.32Å; R1575-E1580 IonicContact CZ-OE1 2.77Å; R1575-E1580 IonicContact CZ-OE2 3.61Å; R1575-E1580 VanDerWaalsContact CZ-OE2 3.29Å; R1575-E1580 IonicContact NE-OE1 3.17Å; R1575-E1580 PolarHBondContact NE-OE1 3.11Å; R1575-E1580 IonicContact NE-OE2 3.25Å; R1575-E1580 PolarHBondContact NE-OE2 3.26Å; R1575-E1580 VanDerWaalsContact NE-OE2 3.11Å; R1575-E1580 IonicContact NH2-OE1 2.99Å; R1575-E1580 PolarHBondContact NH2-OE1 3.46Å; R1575-E1580 IonicContact NH2-OE2 2.95Å; R1575-E1580 PolarHBondContact NH2-OE2 3.45Å
1581	F	61.6	Low	74.4	Confident	61 Å²	61	71.5 Å²	71.5	27%	0.268	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-98.2	134.9	-179.7	173.9	-109.1	0	0	0	113.5	N1583 P1589 V1597 M1624	F1581-N1583 HydrophobicContact CE1-CB 3.86Å; F1581-N1583 HydrophobicContact CZ-CB 4.39Å; F1581-P1589 HydrophobicContact CE1-CG 4.02Å; F1581-P1589 HydrophobicContact CZ-CG 4.01Å; F1581-V1597 HydrophobicContact CD1-CG2 4.32Å; F1581-V1597 HydrophobicContact CD2-CG2 4.26Å; F1581-V1597 HydrophobicContact CE1-CG2 3.86Å; F1581-V1597 HydrophobicContact CE2-CB 4.11Å; F1581-V1597 HydrophobicContact CE2-CG1 4Å; F1581-V1597 HydrophobicContact CE2-CG2 3.81Å; F1581-V1597 HydrophobicContact CZ-CB 4.16Å; F1581-V1597 HydrophobicContact CZ-CG1 3.79Å; F1581-V1597 HydrophobicContact CZ-CG2 3.61Å; F1581-M1624 HydrophobicContact CE2-CE 3.92Å; F1581-M1624 HydrophobicContact CZ-CE 3.85Å; F1581-M1624 HydrophobicContact CZ-SD 3.95Å
1582	R	65.5	Low	74	Confident	209 Å²	209	69.7 Å²	69.7	79%	0.789	35%	0.352	S	S	*	.			trans	-109.7	114.6	-179.1	-159.6	-178.3	-164.8	-163.4	4.4	110.8	P1584	R1582-P1584 WeakPolarHBondContact O-CD 3.49Å
1583	N	74.2	Confident	73.5	Confident	69 Å²	69	70.3 Å²	70.3	37%	0.369	36%	0.363	S	S	.	.			trans	-93.7	117.9	-174.1	-177.4	14.1	0	0	0	112.8	F1581 C1585 G1587 P1589	F1581-N1583 HydrophobicContact CE1-CB 3.86Å; F1581-N1583 HydrophobicContact CZ-CB 4.39Å; N1583-C1585 VanDerWaalsContact OD1-CB 3.26Å; N1583-C1585 WeakPolarHBondContact OD1-CB 3.32Å; N1583-C1585 PolarHBondContact OD1-N 3.12Å; N1583-G1587 PolarHBondContact ND2-O 3.47Å; N1583-P1589 WeakPolarHBondContact OD1-CD 2.99Å
1584	P	77.6	Confident	72.2	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.039	38%	0.378	C	S	.	.			trans	-85.5	-10.7	174.3	37.3	-38	0	0	0	114.2	R1582 T1622 M1624 I1666 G1667	R1582-P1584 WeakPolarHBondContact O-CD 3.49Å; P1584-T1622 HydrophobicContact CB-CG2 4.47Å; P1584-T1622 WeakPolarHBondContact CG-O 3.27Å; P1584-M1624 VanDerWaalsContact CD-CE 3.42Å; P1584-M1624 WeakPolarHBondContact CD-SD 3.07Å; P1584-M1624 HydrophobicContact CG-CE 3.67Å; P1584-M1624 HydrophobicContact CG-CG 3.56Å; P1584-M1624 HydrophobicContact CG-SD 3.57Å; P1584-M1624 VanDerWaalsContact CG-SD 3.57Å; P1584-I1666 HydrophobicContact CB-CG2 4.21Å; P1584-G1667 PolarHBondContact O-N 3.07Å
1585	C	81.9	Confident	70.8	Confident	14 Å²	14	74.7 Å²	74.7	10%	0.095	39%	0.392	C	S	.	.	S	Bend	trans	-81.2	147.1	-172.2	-61.2	0	0	0	0	113.9	N1583 G1587 C1626	N1583-C1585 VanDerWaalsContact OD1-CB 3.26Å; N1583-C1585 WeakPolarHBondContact OD1-CB 3.32Å; N1583-C1585 PolarHBondContact OD1-N 3.12Å; C1585-G1587 VanDerWaalsContact C-N 3.31Å; C1585-G1587 WeakPolarHBondContact CB-O 3.32Å; C1585-G1587 PolarHBondContact O-N 3.17Å; C1585-C1626 WeakPolarHBondContact CA-SG 3.5Å; C1585-C1626 HydrophobicContact CB-CB 3.59Å; C1585-C1626 WeakPolarHBondContact CB-SG 3.24Å; C1585-C1626 WeakPolarHBondContact SG-CA 3.38Å; C1585-C1626 WeakPolarHBondContact SG-CB 3.43Å; C1585-C1626 CovalentContact SG-SG 2.03Å; C1585-C1626 PolarHBondContact SG-SG 2.79Å
1586	I	76.3	Confident	70.2	Confident	120 Å²	120	73.4 Å²	73.4	62%	0.615	39%	0.391	S	S	*	.	S	Bend	trans	-77.7	87.5	159.9	-54.6	-179.1	0	0	0	107.5	G1668	I1586-G1668 WeakPolarHBondContact CD1-O 3.33Å
1587	G	77.6	Confident	70.4	Confident	42 Å²	42	69.5 Å²	69.5	43%	0.433	36%	0.358	S	S	.	.	S	Bend	trans	118.2	-176.3	-172	0	0	0	0	0	111.8	N1583 C1585	N1583-G1587 PolarHBondContact ND2-O 3.47Å; C1585-G1587 VanDerWaalsContact C-N 3.31Å; C1585-G1587 WeakPolarHBondContact CB-O 3.32Å; C1585-G1587 PolarHBondContact O-N 3.17Å
1588	Q	79.3	Confident	70.8	Confident	146 Å²	146	67 Å²	67	68%	0.682	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-75.5	137.4	171.9	-68.9	-161.6	-0.2	0	0	109.9	P1627	Q1588-P1627 VanDerWaalsContact O-CD 3.24Å; Q1588-P1627 WeakPolarHBondContact O-CD 3.14Å; Q1588-P1627 WeakPolarHBondContact O-CG 3.49Å
1589	P	81.2	Confident	71.1	Confident	6 Å²	6	71 Å²	71	4%	0.039	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-65.3	157.4	168.8	32.1	-34.8	0	0	0	109	F1581 N1583 V1597 M1624 C1625	F1581-P1589 HydrophobicContact CE1-CG 4.02Å; F1581-P1589 HydrophobicContact CZ-CG 4.01Å; N1583-P1589 WeakPolarHBondContact OD1-CD 2.99Å; P1589-V1597 HydrophobicContact CB-CG1 3.85Å; P1589-V1597 HydrophobicContact CG-CG1 3.75Å; P1589-V1597 HydrophobicContact CG-CG2 4.02Å; P1589-M1624 HydrophobicContact CB-CG 4.25Å; P1589-M1624 HydrophobicContact CB-SD 3.5Å; P1589-M1624 VanDerWaalsContact CB-SD 3.5Å; P1589-M1624 HydrophobicContact CG-SD 3.91Å; P1589-C1625 CarbonylContact C-O 3.4Å; P1589-C1625 VanDerWaalsContact CA-O 3.24Å; P1589-C1625 WeakPolarHBondContact CA-O 3.43Å
1590	A	79.4	Confident	71.9	Confident	6 Å²	6	62 Å²	62	5%	0.05	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-58.8	149.4	171.1	0	0	0	0	0	109.6	V1598 P1609 F1612 C1625	A1590-V1598 VanDerWaalsContact C-CG2 3.44Å; A1590-V1598 HydrophobicContact CB-CB 3.87Å; A1590-V1598 HydrophobicContact CB-CG2 3.5Å; A1590-V1598 VanDerWaalsContact CB-CG2 3.5Å; A1590-V1598 WeakPolarHBondContact O-CG2 3.44Å; A1590-V1598 PolarHBondContact O-N 2.83Å; A1590-P1609 HydrophobicContact CB-CG 3.99Å; A1590-F1612 HydrophobicContact CB-CD1 3.56Å; A1590-F1612 HydrophobicContact CB-CD2 4.04Å; A1590-F1612 HydrophobicContact CB-CE1 3.6Å; A1590-F1612 HydrophobicContact CB-CE2 4.07Å; A1590-F1612 HydrophobicContact CB-CG 3.8Å; A1590-F1612 HydrophobicContact CB-CZ 3.86Å; A1590-C1625 HydrophobicContact CB-CB 4.2Å; A1590-C1625 PolarHBondContact N-O 2.8Å
1591	R	73.9	Confident	72.8	Confident	83 Å²	83	60.1 Å²	60.1	31%	0.313	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-128.7	157.1	177	-72.4	179.9	176.2	-107.1	9.3	112.4	E1551 G1595 Q1596 V1597	E1551-R1591 IonicContact OE1-NH1 2.73Å; E1551-R1591 PolarHBondContact OE1-NH1 2.76Å; E1551-R1591 IonicContact OE2-CZ 2.83Å; E1551-R1591 VanDerWaalsContact OE2-CZ 3.23Å; E1551-R1591 IonicContact OE2-NH1 3.23Å; E1551-R1591 PolarHBondContact OE2-NH1 3.36Å; E1551-R1591 IonicContact OE2-NH2 2.61Å; E1551-R1591 PolarHBondContact OE2-NH2 3.45Å; R1591-G1595 VanDerWaalsContact CD-O 3.31Å; R1591-G1595 WeakPolarHBondContact CD-O 3.22Å; R1591-G1595 PolarHBondContact NH1-O 3.14Å; R1591-Q1596 CarbonylContact C-O 3.49Å; R1591-Q1596 VanDerWaalsContact C-O 3.31Å; R1591-Q1596 WeakPolarHBondContact CA-O 3.16Å; R1591-Q1596 WeakPolarHBondContact CB-O 3.01Å; R1591-Q1596 WeakPolarHBondContact CG-O 3.48Å; R1591-V1597 HydrophobicContact CG-CG2 4.08Å
1592	T	70.6	Confident	73.3	Confident	13 Å²	13	58.9 Å²	58.9	8%	0.08	32%	0.315	C	S	.	.			trans	-63	162.2	165.6	32.3	0	0	0	0	112	P821 A822 E824 V1594 G1595 Q1596	P821-T1592 HydrophobicContact CB-CG2 3.91Å; P821-T1592 VanDerWaalsContact CD-CG2 3.49Å; P821-T1592 HydrophobicContact CG-CG2 3.92Å; A822-T1592 HydrophobicContact CB-CG2 3.55Å; A822-T1592 VanDerWaalsContact CB-OG1 3.32Å; A822-T1592 WeakPolarHBondContact CB-OG1 3.36Å; E824-T1592 HydrophobicContact CG-CG2 4.17Å; E824-T1592 WeakPolarHBondContact OE1-CB 3.03Å; E824-T1592 WeakPolarHBondContact OE1-CG2 3.34Å; E824-T1592 PolarHBondContact OE1-OG1 2.9Å; T1592-V1594 HydrophobicContact CG2-CG2 4.33Å; T1592-V1594 PolarHBondContact O-N 2.85Å; T1592-G1595 WeakPolarHBondContact O-CA 3.38Å; T1592-G1595 PolarHBondContact O-N 2.83Å; T1592-G1595 PolarHBondContact OG1-N 3.24Å; T1592-Q1596 PolarHBondContact N-O 3.35Å; T1592-Q1596 PolarHBondContact OG1-N 2.97Å
1593	T	63.4	Low	73.7	Confident	130 Å²	130	55.5 Å²	55.5	80%	0.798	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-32.7	153.6	45.1	0	0	0	0	113.1	G1595	T1593-G1595 VanDerWaalsContact C-N 3.29Å
1594	V	50.7	Low	73.4	Confident	102 Å²	102	54.6 Å²	54.6	62%	0.618	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	4.3	172.2	-139.2	0	0	0	0	113.9	E824 T1592 Q1596	E824-V1594 WeakPolarHBondContact OE1-CG2 3.2Å; T1592-V1594 HydrophobicContact CG2-CG2 4.33Å; T1592-V1594 PolarHBondContact O-N 2.85Å; V1594-Q1596 PolarHBondContact O-N 3.02Å
1595	G	55	Low	73.1	Confident	30 Å²	30	58 Å²	58	31%	0.309	33%	0.327	S	S	.	.	S	Bend	trans	81.1	-5.9	174.1	0	0	0	0	0	116.7	R1591 T1592 T1593	R1591-G1595 VanDerWaalsContact CD-O 3.31Å; R1591-G1595 WeakPolarHBondContact CD-O 3.22Å; R1591-G1595 PolarHBondContact NH1-O 3.14Å; T1592-G1595 WeakPolarHBondContact O-CA 3.38Å; T1592-G1595 PolarHBondContact O-N 2.83Å; T1592-G1595 PolarHBondContact OG1-N 3.24Å; T1593-G1595 VanDerWaalsContact C-N 3.29Å
1596	Q	62.6	Low	72.7	Confident	81 Å²	81	66.2 Å²	66.2	38%	0.379	36%	0.364	S	S	.	.			trans	-73.4	163.7	177.5	-65.5	176.6	40.5	0	0	111.8	A822 E824 R1591 T1592 V1594	A822-Q1596 HydrophobicContact CB-CB 3.31Å; A822-Q1596 WeakPolarHBondContact CB-O 3.38Å; E824-Q1596 VanDerWaalsContact OE2-CD 3.29Å; E824-Q1596 PolarHBondContact OE2-NE2 3.43Å; E824-Q1596 PolarHBondContact OE2-OE1 2.96Å; R1591-Q1596 CarbonylContact C-O 3.49Å; R1591-Q1596 VanDerWaalsContact C-O 3.31Å; R1591-Q1596 WeakPolarHBondContact CA-O 3.16Å; R1591-Q1596 WeakPolarHBondContact CB-O 3.01Å; R1591-Q1596 WeakPolarHBondContact CG-O 3.48Å; T1592-Q1596 PolarHBondContact N-O 3.35Å; T1592-Q1596 PolarHBondContact OG1-N 2.97Å; V1594-Q1596 PolarHBondContact O-N 3.02Å
1597	V	75.6	Confident	72.5	Confident	10 Å²	10	63.7 Å²	63.7	6%	0.061	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-92	135.8	-172.1	168.5	0	0	0	0	113	A822 F1581 P1589 R1591 Y1599 M1624	A822-V1597 CarbonylContact C-O 3.54Å; A822-V1597 WeakPolarHBondContact CA-O 3.25Å; F1581-V1597 HydrophobicContact CD1-CG2 4.32Å; F1581-V1597 HydrophobicContact CD2-CG2 4.26Å; F1581-V1597 HydrophobicContact CE1-CG2 3.86Å; F1581-V1597 HydrophobicContact CE2-CB 4.11Å; F1581-V1597 HydrophobicContact CE2-CG1 4Å; F1581-V1597 HydrophobicContact CE2-CG2 3.81Å; F1581-V1597 HydrophobicContact CZ-CB 4.16Å; F1581-V1597 HydrophobicContact CZ-CG1 3.79Å; F1581-V1597 HydrophobicContact CZ-CG2 3.61Å; P1589-V1597 HydrophobicContact CB-CG1 3.85Å; P1589-V1597 HydrophobicContact CG-CG1 3.75Å; P1589-V1597 HydrophobicContact CG-CG2 4.02Å; R1591-V1597 HydrophobicContact CG-CG2 4.08Å; V1597-Y1599 HydrophobicContact CB-CE2 4.14Å; V1597-Y1599 HydrophobicContact CG1-CE2 4.12Å; V1597-Y1599 WeakPolarHBondContact O-CD2 3.09Å; V1597-Y1599 VanDerWaalsContact O-CE2 3.26Å; V1597-Y1599 WeakPolarHBondContact O-CE2 3.24Å; V1597-Y1599 PolarHBondContact O-N 3.22Å; V1597-M1624 HydrophobicContact CG1-CE 3.98Å; V1597-M1624 HydrophobicContact CG1-SD 3.6Å; V1597-M1624 VanDerWaalsContact CG1-SD 3.6Å
1598	V	79.2	Confident	72.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.006	34%	0.336	C	S	.	.			trans	-76.8	110.1	-179.8	177.8	0	0	0	0	111.8	P821 A1590 M1624 C1625	P821-V1598 HydrophobicContact CB-CG2 3.85Å; P821-V1598 WeakPolarHBondContact O-CB 3.46Å; P821-V1598 WeakPolarHBondContact O-CG1 3.49Å; P821-V1598 WeakPolarHBondContact O-CG2 3.38Å; A1590-V1598 VanDerWaalsContact C-CG2 3.44Å; A1590-V1598 HydrophobicContact CB-CB 3.87Å; A1590-V1598 HydrophobicContact CB-CG2 3.5Å; A1590-V1598 VanDerWaalsContact CB-CG2 3.5Å; A1590-V1598 WeakPolarHBondContact O-CG2 3.44Å; A1590-V1598 PolarHBondContact O-N 2.83Å; V1598-M1624 VanDerWaalsContact O-CB 3.27Å; V1598-M1624 WeakPolarHBondContact O-CB 3.47Å; V1598-C1625 HydrophobicContact CB-CB 3.95Å; V1598-C1625 HydrophobicContact CG1-CB 3.55Å; V1598-C1625 WeakPolarHBondContact CG1-SG 3.36Å; V1598-C1625 PolarHBondContact O-N 3.3Å
1599	Y	83.1	Confident	72.8	Confident	89 Å²	89	57.8 Å²	57.8	35%	0.349	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-89.8	156.7	171.9	-64.2	-90.7	0	0	0	112.6	V1597 M1624	V1597-Y1599 HydrophobicContact CB-CE2 4.14Å; V1597-Y1599 HydrophobicContact CG1-CE2 4.12Å; V1597-Y1599 WeakPolarHBondContact O-CD2 3.09Å; V1597-Y1599 VanDerWaalsContact O-CE2 3.26Å; V1597-Y1599 WeakPolarHBondContact O-CE2 3.24Å; V1597-Y1599 PolarHBondContact O-N 3.22Å; Y1599-M1624 HydrophobicContact CD1-CB 4.02Å; Y1599-M1624 HydrophobicContact CD1-CE 4.23Å; Y1599-M1624 HydrophobicContact CE1-CB 4.44Å; Y1599-M1624 HydrophobicContact CE1-CE 3.56Å
1600	C	81.1	Confident	72.6	Confident	14 Å²	14	62 Å²	62	10%	0.095	35%	0.345	C	S	.	.			trans	-148.2	-170.7	-178.9	73.2	0	0	0	0	111.4	N1604 N1607 C1614 T1623 M1624 C1625	C1600-N1604 VanDerWaalsContact C-OD1 3.26Å; C1600-N1604 WeakPolarHBondContact CA-OD1 3.29Å; C1600-N1607 HydrophobicContact CB-CB 4.46Å; C1600-C1614 HydrophobicContact CB-CB 3.73Å; C1600-C1614 WeakPolarHBondContact CB-SG 3.07Å; C1600-C1614 WeakPolarHBondContact SG-CA 3.47Å; C1600-C1614 WeakPolarHBondContact SG-CB 3.45Å; C1600-C1614 CovalentContact SG-SG 2.02Å; C1600-C1614 PolarHBondContact SG-SG 2.67Å; C1600-T1623 PolarHBondContact N-O 3.39Å; C1600-T1623 VanDerWaalsContact N-O 3.17Å; C1600-T1623 WeakPolarHBondContact O-CG2 3.23Å; C1600-M1624 PolarHBondContact SG-O 3.42Å; C1600-M1624 VanDerWaalsContact SG-O 3.41Å; C1600-C1625 VanDerWaalsContact CB-SG 3.56Å
1601	S	79.5	Confident	72.6	Confident	30 Å²	30	65.4 Å²	65.4	21%	0.21	36%	0.362	C	S	.	.			trans	-159.9	169.8	-179.4	89.2	0	0	0	0	111.6	T1603 N1604 K1605 C1614	S1601-T1603 PolarHBondContact O-N 3.49Å; S1601-T1603 PolarHBondContact OG-N 2.91Å; S1601-T1603 PolarHBondContact OG-OG1 2.81Å; S1601-N1604 WeakPolarHBondContact CA-OD1 3.4Å; S1601-N1604 PolarHBondContact N-OD1 2.87Å; S1601-N1604 CarbonylContact O-C 3.58Å; S1601-N1604 PolarHBondContact O-N 2.76Å; S1601-N1604 VanDerWaalsContact OG-CG 3.3Å; S1601-N1604 PolarHBondContact OG-N 3.42Å; S1601-N1604 PolarHBondContact OG-OD1 3.2Å; S1601-K1605 WeakPolarHBondContact O-CG 3.38Å; S1601-K1605 PolarHBondContact O-N 3.13Å; S1601-C1614 PolarHBondContact N-SG 2.73Å; S1601-C1614 PolarHBondContact O-SG 3.22Å
1602	A	72.5	Confident	73.2	Confident	35 Å²	35	64.4 Å²	64.4	29%	0.289	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.2	179.6	0	0	0	0	0	113.7	K1605 I1616 L1674	A1602-K1605 WeakPolarHBondContact O-CE 3.48Å; A1602-I1616 HydrophobicContact CB-CD1 4.02Å; A1602-I1616 HydrophobicContact CB-CG1 4.21Å; A1602-I1616 HydrophobicContact CB-CG2 4.38Å; A1602-L1674 HydrophobicContact CB-CD1 3.62Å; A1602-L1674 HydrophobicContact CB-CD2 3.38Å; A1602-L1674 HydrophobicContact CB-CG 4.14Å
1603	T	73	Confident	73.9	Confident	139 Å²	139	65.2 Å²	65.2	85%	0.853	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-14.3	179.3	53.8	0	0	0	0	113.2	S1601	S1601-T1603 PolarHBondContact O-N 3.49Å; S1601-T1603 PolarHBondContact OG-N 2.91Å; S1601-T1603 PolarHBondContact OG-OG1 2.81Å
1604	N	67.7	Low	75	Confident	49 Å²	49	59.3 Å²	59.3	26%	0.262	33%	0.325	S	S	.	.			trans	-126	40.8	176.6	71.5	20.6	0	0	0	112.1	C1600 S1601 E1606 N1607	C1600-N1604 VanDerWaalsContact C-OD1 3.26Å; C1600-N1604 WeakPolarHBondContact CA-OD1 3.29Å; S1601-N1604 WeakPolarHBondContact CA-OD1 3.4Å; S1601-N1604 PolarHBondContact N-OD1 2.87Å; S1601-N1604 CarbonylContact O-C 3.58Å; S1601-N1604 PolarHBondContact O-N 2.76Å; S1601-N1604 VanDerWaalsContact OG-CG 3.3Å; S1601-N1604 PolarHBondContact OG-N 3.42Å; S1601-N1604 PolarHBondContact OG-OD1 3.2Å; N1604-E1606 PolarHBondContact O-N 3.16Å; N1604-N1607 PolarHBondContact ND2-ND2 3.25Å; N1604-N1607 VanDerWaalsContact O-CB 3.29Å; N1604-N1607 WeakPolarHBondContact O-CB 3.3Å; N1604-N1607 PolarHBondContact O-N 3.28Å
1605	K	71.4	Confident	76.8	Confident	77 Å²	77	54.5 Å²	54.5	34%	0.335	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-53.9	-23.9	-176.4	-60.7	-178.5	-175.1	174.9	0	114.1	S1601 A1602 C1614	S1601-K1605 WeakPolarHBondContact O-CG 3.38Å; S1601-K1605 PolarHBondContact O-N 3.13Å; A1602-K1605 WeakPolarHBondContact O-CE 3.48Å; K1605-C1614 VanDerWaalsContact CA-CB 3.48Å; K1605-C1614 HydrophobicContact CB-CB 3.83Å; K1605-C1614 HydrophobicContact CG-CB 4.01Å
1606	E	72.9	Confident	78.2	Confident	188 Å²	188	53.9 Å²	53.9	88%	0.879	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-78.1	-8.8	177	-57.7	-177.1	-167.1	0	0	114.6	N1604 C1608	N1604-E1606 PolarHBondContact O-N 3.16Å; E1606-C1608 PolarHBondContact O-N 2.81Å
1607	N	73.2	Confident	79.2	Confident	67 Å²	67	50.2 Å²	50.2	36%	0.358	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-59.3	-15.4	168.9	-89.4	23.3	0	0	0	112.5	C1600 N1604	C1600-N1607 HydrophobicContact CB-CB 4.46Å; N1604-N1607 PolarHBondContact ND2-ND2 3.25Å; N1604-N1607 VanDerWaalsContact O-CB 3.29Å; N1604-N1607 WeakPolarHBondContact O-CB 3.3Å; N1604-N1607 PolarHBondContact O-N 3.28Å
1608	C	81.4	Confident	79.4	Confident	14 Å²	14	52.4 Å²	52.4	10%	0.095	28%	0.281	C	S	.	.	S	Bend	trans	-78.1	127.6	179	-60.1	0	0	0	0	111.6	E1606 F1612 W1613 C1614 C1625	E1606-C1608 PolarHBondContact O-N 2.81Å; C1608-F1612 HydrophobicContact CB-CB 3.83Å; C1608-F1612 WeakPolarHBondContact CB-O 3.45Å; C1608-W1613 PolarHBondContact SG-O 2.77Å; C1608-C1614 WeakPolarHBondContact SG-CA 3.39Å; C1608-C1614 PolarHBondContact SG-N 3.5Å; C1608-C1625 WeakPolarHBondContact CA-SG 3.39Å; C1608-C1625 HydrophobicContact CB-CB 3.65Å; C1608-C1625 WeakPolarHBondContact CB-SG 3.23Å; C1608-C1625 PolarHBondContact N-SG 3.09Å; C1608-C1625 WeakPolarHBondContact SG-CA 3.04Å; C1608-C1625 WeakPolarHBondContact SG-CB 3.42Å; C1608-C1625 CovalentContact SG-SG 2.02Å; C1608-C1625 PolarHBondContact SG-SG 2.98Å
1609	P	82.1	Confident	79.4	Confident	50 Å²	50	55.3 Å²	55.3	33%	0.325	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-54	158	173.9	-26.4	34.8	0	0	0	111.9	A1590 N1611 F1612	A1590-P1609 HydrophobicContact CB-CG 3.99Å; P1609-N1611 PolarHBondContact O-N 3.48Å; P1609-F1612 HydrophobicContact CB-CD2 4.12Å; P1609-F1612 WeakPolarHBondContact O-CA 3.39Å; P1609-F1612 VanDerWaalsContact O-CB 3.3Å; P1609-F1612 WeakPolarHBondContact O-CB 3.42Å; P1609-F1612 PolarHBondContact O-N 3.1Å
1610	V	76.2	Confident	78.9	Confident	95 Å²	95	54.6 Å²	54.6	58%	0.576	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	133.2	176.8	-175.3	0	0	0	0	110.9	F1612	V1610-F1612 VanDerWaalsContact C-N 3.31Å
1611	N	78.7	Confident	78.5	Confident	76 Å²	76	60 Å²	60	41%	0.406	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	7.2	-169.3	-45.3	-64.9	0	0	0	116.2	P1609 G1628	P1609-N1611 PolarHBondContact O-N 3.48Å; N1611-G1628 PolarHBondContact O-N 3.35Å
1612	F	87.2	Confident	78.6	Confident	63 Å²	63	59.3 Å²	59.3	28%	0.276	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150	165.3	-65.7	-101	0	0	0	109.7	A1590 C1608 P1609 V1610 C1625 C1626 P1627	A1590-F1612 HydrophobicContact CB-CD1 3.56Å; A1590-F1612 HydrophobicContact CB-CD2 4.04Å; A1590-F1612 HydrophobicContact CB-CE1 3.6Å; A1590-F1612 HydrophobicContact CB-CE2 4.07Å; A1590-F1612 HydrophobicContact CB-CG 3.8Å; A1590-F1612 HydrophobicContact CB-CZ 3.86Å; C1608-F1612 HydrophobicContact CB-CB 3.83Å; C1608-F1612 WeakPolarHBondContact CB-O 3.45Å; P1609-F1612 HydrophobicContact CB-CD2 4.12Å; P1609-F1612 WeakPolarHBondContact O-CA 3.39Å; P1609-F1612 VanDerWaalsContact O-CB 3.3Å; P1609-F1612 WeakPolarHBondContact O-CB 3.42Å; P1609-F1612 PolarHBondContact O-N 3.1Å; V1610-F1612 VanDerWaalsContact C-N 3.31Å; F1612-C1625 HydrophobicContact CB-CB 4.15Å; F1612-C1625 WeakPolarHBondContact CD1-O 3.49Å; F1612-C1626 CarbonylContact C-O 3.51Å; F1612-C1626 WeakPolarHBondContact CA-O 3.44Å; F1612-C1626 WeakPolarHBondContact CB-O 3.16Å; F1612-C1626 VanDerWaalsContact CD1-C 3.4Å; F1612-C1626 WeakPolarHBondContact CD1-O 3.35Å; F1612-P1627 HydrophobicContact CD1-CG 4.31Å; F1612-P1627 HydrophobicContact CE1-CB 4.45Å; F1612-P1627 HydrophobicContact CE1-CG 3.86Å
1613	W	85.7	Confident	79.2	Confident	30 Å²	30	58.3 Å²	58.3	11%	0.114	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.9	173.6	73.5	-72.2	0	0	0	109.3	C1608 H1615 C1625 C1626 P1627 N1669 Q1670	C1608-W1613 PolarHBondContact SG-O 2.77Å; W1613-H1615 HydrophobicContact CH2-CB 4.03Å; W1613-H1615 HydrophobicContact CZ2-CB 3.88Å; W1613-H1615 HydrophobicContact CZ3-CB 4.48Å; W1613-H1615 PolarHBondContact O-N 3.48Å; W1613-H1615 VanDerWaalsContact O-N 3.17Å; W1613-C1625 WeakPolarHBondContact O-CA 3.25Å; W1613-C1626 PolarHBondContact N-O 2.97Å; W1613-C1626 PolarHBondContact O-N 3.11Å; W1613-P1627 PolarHBondContact NE1-O 2.99Å; W1613-P1627 VanDerWaalsContact NE1-O 3.14Å; W1613-N1669 WeakPolarHBondContact CH2-O 3.34Å; W1613-N1669 VanDerWaalsContact CZ2-C 3.48Å; W1613-Q1670 HydrophobicContact CB-CG 3.52Å; W1613-Q1670 HydrophobicContact CD2-CB 4.24Å; W1613-Q1670 HydrophobicContact CD2-CG 3.17Å; W1613-Q1670 HydrophobicContact CE3-CB 4.19Å; W1613-Q1670 HydrophobicContact CE3-CG 3.57Å; W1613-Q1670 HydrophobicContact CG-CB 4.49Å; W1613-Q1670 HydrophobicContact CG-CG 3.11Å; W1613-Q1670 HydrophobicContact CZ2-CG 4.48Å; W1613-Q1670 HydrophobicContact CZ3-CG 4.35Å
1614	C	86.8	Confident	79.8	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	102.5	177.6	-176.4	0	0	0	0	111.5	C1600 S1601 K1605 C1608 I1616	C1600-C1614 HydrophobicContact CB-CB 3.73Å; C1600-C1614 WeakPolarHBondContact CB-SG 3.07Å; C1600-C1614 WeakPolarHBondContact SG-CA 3.47Å; C1600-C1614 WeakPolarHBondContact SG-CB 3.45Å; C1600-C1614 CovalentContact SG-SG 2.02Å; C1600-C1614 PolarHBondContact SG-SG 2.67Å; S1601-C1614 PolarHBondContact N-SG 2.73Å; S1601-C1614 PolarHBondContact O-SG 3.22Å; K1605-C1614 VanDerWaalsContact CA-CB 3.48Å; K1605-C1614 HydrophobicContact CB-CB 3.83Å; K1605-C1614 HydrophobicContact CG-CB 4.01Å; C1608-C1614 WeakPolarHBondContact SG-CA 3.39Å; C1608-C1614 PolarHBondContact SG-N 3.5Å; C1614-I1616 HydrophobicContact CB-CD1 4.29Å; C1614-I1616 PolarHBondContact O-N 3.15Å; C1614-I1616 WeakPolarHBondContact SG-CD1 3.03Å
1615	H	87.6	Confident	80.9	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	115.8	169.2	170.5	-73.4	0	0	0	108.6	W1613 G1617 T1622 T1623 M1624 C1626 Y1663 G1665 I1666 G1667	W1613-H1615 HydrophobicContact CH2-CB 4.03Å; W1613-H1615 HydrophobicContact CZ2-CB 3.88Å; W1613-H1615 HydrophobicContact CZ3-CB 4.48Å; W1613-H1615 PolarHBondContact O-N 3.48Å; W1613-H1615 VanDerWaalsContact O-N 3.17Å; H1615-G1617 WeakPolarHBondContact CE1-CA 3.42Å; H1615-G1617 PolarHBondContact ND1-N 3.22Å; H1615-G1617 PolarHBondContact O-N 2.98Å; H1615-T1622 PolarHBondContact CE1-O 3.44Å; H1615-T1622 PolarHBondContact ND1-O 3.2Å; H1615-T1623 CarbonylContact O-C 3.53Å; H1615-T1623 VanDerWaalsContact O-CA 3.3Å; H1615-T1623 WeakPolarHBondContact O-CA 3.25Å; H1615-T1623 WeakPolarHBondContact O-CG2 3.37Å; H1615-M1624 VanDerWaalsContact CB-O 3.32Å; H1615-M1624 WeakPolarHBondContact CB-O 3.38Å; H1615-M1624 PolarHBondContact N-O 3.18Å; H1615-M1624 PolarHBondContact O-N 3.16Å; H1615-C1626 HydrophobicContact CB-CB 3.98Å; H1615-C1626 WeakPolarHBondContact CB-SG 3.43Å; H1615-Y1663 PolarHBondContact CE1-OH 2.93Å; H1615-Y1663 VanDerWaalsContact CE1-OH 3.26Å; H1615-Y1663 AromaticContact NE2-CZ 3.67Å; H1615-Y1663 PolarHBondContact NE2-OH 3.44Å; H1615-G1665 PolarHBondContact CE1-O 2.87Å; H1615-I1666 VanDerWaalsContact NE2-CA 3.34Å; H1615-I1666 WeakPolarHBondContact NE2-CA 3.4Å; H1615-G1667 PolarHBondContact CD2-O 2.61Å; H1615-G1667 WeakPolarHBondContact NE2-CA 3.01Å; H1615-G1667 PolarHBondContact NE2-N 3.22Å; H1615-G1667 PolarHBondContact NE2-O 3Å
1616	I	85.7	Confident	81.6	Confident	16 Å²	16	45.9 Å²	45.9	8%	0.082	25%	0.252	C	S	.	.			trans	-94.5	93.9	176.5	-48.1	-55	0	0	0	108.9	A1602 C1614 T1623 R1648 Y1663 L1674	A1602-I1616 HydrophobicContact CB-CD1 4.02Å; A1602-I1616 HydrophobicContact CB-CG1 4.21Å; A1602-I1616 HydrophobicContact CB-CG2 4.38Å; C1614-I1616 HydrophobicContact CB-CD1 4.29Å; C1614-I1616 PolarHBondContact O-N 3.15Å; C1614-I1616 WeakPolarHBondContact SG-CD1 3.03Å; I1616-T1623 HydrophobicContact CD1-CG2 4.02Å; I1616-R1648 VanDerWaalsContact CG2-NH2 3.34Å; I1616-R1648 PolarHBondContact O-NH1 3.24Å; I1616-R1648 PolarHBondContact O-NH2 3.22Å; I1616-Y1663 WeakPolarHBondContact O-CE1 3.25Å; I1616-L1674 HydrophobicContact CG1-CD1 4.13Å
1617	G	83.6	Confident	82.1	Confident	5 Å²	5	39.4 Å²	39.4	5%	0.052	23%	0.226	C	C	.	.			trans	-73.8	-154.9	178.8	0	0	0	0	0	113.9	H1615 T1623 L1646 R1648 G1665	H1615-G1617 WeakPolarHBondContact CE1-CA 3.42Å; H1615-G1617 PolarHBondContact ND1-N 3.22Å; H1615-G1617 PolarHBondContact O-N 2.98Å; G1617-T1623 PolarHBondContact N-OG1 3.41Å; G1617-T1623 VanDerWaalsContact N-OG1 3.13Å; G1617-L1646 WeakPolarHBondContact O-CD1 3.4Å; G1617-R1648 PolarHBondContact O-NH2 3.12Å; G1617-G1665 CarbonylContact C-O 3.53Å; G1617-G1665 WeakPolarHBondContact CA-O 3.32Å
1618	D	79.3	Confident	82.3	Confident	55 Å²	55	37.1 Å²	37.1	29%	0.294	22%	0.219	S	C	.	.	S	Bend	trans	-99.3	-27.4	173.9	53	-5.5	0	0	0	114	T1622 S1644 L1646 G1665	D1618-T1622 PolarHBondContact N-OG1 2.87Å; D1618-T1622 VanDerWaalsContact N-OG1 3.15Å; D1618-T1622 PolarHBondContact OD1-OG1 3.09Å; D1618-S1644 WeakPolarHBondContact CB-OG 3.39Å; D1618-S1644 PolarHBondContact OD2-OG 3.22Å; D1618-L1646 HydrophobicContact CB-CD1 4.11Å; D1618-G1665 PolarHBondContact N-O 3.18Å
1619	T	78.9	Confident	81.8	Confident	62 Å²	62	38.6 Å²	38.6	38%	0.38	23%	0.232	S	C	.	.	S	Bend	trans	-123.9	167.9	174.4	81.4	0	0	0	0	110.6	E1621 T1622 T1623	T1619-E1621 VanDerWaalsContact C-N 3.26Å; T1619-E1621 WeakPolarHBondContact CB-OE2 3.48Å; T1619-E1621 PolarHBondContact O-N 3.04Å; T1619-E1621 PolarHBondContact OG1-N 3.47Å; T1619-E1621 PolarHBondContact OG1-OE2 2.76Å; T1619-T1622 PolarHBondContact N-OG1 3.4Å; T1619-T1622 PolarHBondContact O-N 3.45Å; T1619-T1622 PolarHBondContact O-OG1 3.2Å; T1619-T1622 PolarHBondContact OG1-N 3.33Å; T1619-T1623 WeakPolarHBondContact O-CB 3.33Å; T1619-T1623 PolarHBondContact O-N 3.39Å; T1619-T1623 VanDerWaalsContact O-N 3.13Å; T1619-T1623 PolarHBondContact O-OG1 3.35Å
1620	A	72.4	Confident	81.1	Confident	74 Å²	74	42.7 Å²	42.7	61%	0.612	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-35.1	174.3	0	0	0	0	0	111.6	T1622 T1623	A1620-T1622 VanDerWaalsContact C-N 3.3Å; A1620-T1622 PolarHBondContact O-N 3.16Å; A1620-T1623 PolarHBondContact O-N 3.14Å; A1620-T1623 VanDerWaalsContact O-N 3.16Å
1621	E	72.7	Confident	81.3	Confident	127 Å²	127	41.5 Å²	41.5	59%	0.593	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.7	177.3	-51.4	77.2	-166.6	0	0	113	T1619 M1624	T1619-E1621 VanDerWaalsContact C-N 3.26Å; T1619-E1621 WeakPolarHBondContact CB-OE2 3.48Å; T1619-E1621 PolarHBondContact O-N 3.04Å; T1619-E1621 PolarHBondContact OG1-N 3.47Å; T1619-E1621 PolarHBondContact OG1-OE2 2.76Å; E1621-M1624 WeakPolarHBondContact O-CE 3.42Å
1622	T	81.3	Confident	81.4	Confident	16 Å²	16	39.9 Å²	39.9	10%	0.098	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.1	172.1	62	0	0	0	0	113.2	P1584 H1615 D1618 T1619 A1620 I1666	P1584-T1622 HydrophobicContact CB-CG2 4.47Å; P1584-T1622 WeakPolarHBondContact CG-O 3.27Å; H1615-T1622 PolarHBondContact CE1-O 3.44Å; H1615-T1622 PolarHBondContact ND1-O 3.2Å; D1618-T1622 PolarHBondContact N-OG1 2.87Å; D1618-T1622 VanDerWaalsContact N-OG1 3.15Å; D1618-T1622 PolarHBondContact OD1-OG1 3.09Å; T1619-T1622 PolarHBondContact N-OG1 3.4Å; T1619-T1622 PolarHBondContact O-N 3.45Å; T1619-T1622 PolarHBondContact O-OG1 3.2Å; T1619-T1622 PolarHBondContact OG1-N 3.33Å; A1620-T1622 VanDerWaalsContact C-N 3.3Å; A1620-T1622 PolarHBondContact O-N 3.16Å; T1622-I1666 HydrophobicContact CG2-CD1 4.34Å; T1622-I1666 HydrophobicContact CG2-CG1 4.18Å
1623	T	85.4	Confident	81.3	Confident	15 Å²	15	37.6 Å²	37.6	9%	0.092	23%	0.232	C	C	.	.			trans	-102	95.2	-176.4	-62.3	0	0	0	0	110.6	C1600 H1615 I1616 G1617 T1619 A1620	C1600-T1623 PolarHBondContact N-O 3.39Å; C1600-T1623 VanDerWaalsContact N-O 3.17Å; C1600-T1623 WeakPolarHBondContact O-CG2 3.23Å; H1615-T1623 CarbonylContact O-C 3.53Å; H1615-T1623 VanDerWaalsContact O-CA 3.3Å; H1615-T1623 WeakPolarHBondContact O-CA 3.25Å; H1615-T1623 WeakPolarHBondContact O-CG2 3.37Å; I1616-T1623 HydrophobicContact CD1-CG2 4.02Å; G1617-T1623 PolarHBondContact N-OG1 3.41Å; G1617-T1623 VanDerWaalsContact N-OG1 3.13Å; T1619-T1623 WeakPolarHBondContact O-CB 3.33Å; T1619-T1623 PolarHBondContact O-N 3.39Å; T1619-T1623 VanDerWaalsContact O-N 3.13Å; T1619-T1623 PolarHBondContact O-OG1 3.35Å; A1620-T1623 PolarHBondContact O-N 3.14Å; A1620-T1623 VanDerWaalsContact O-N 3.16Å
1624	M	85.8	Confident	81.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	170.7	-170.8	69.8	174.7	64.3	0	0	113.4	F1581 P1584 P1589 V1597 V1598 Y1599 C1600 H1615 E1621 C1626	F1581-M1624 HydrophobicContact CE2-CE 3.92Å; F1581-M1624 HydrophobicContact CZ-CE 3.85Å; F1581-M1624 HydrophobicContact CZ-SD 3.95Å; P1584-M1624 VanDerWaalsContact CD-CE 3.42Å; P1584-M1624 WeakPolarHBondContact CD-SD 3.07Å; P1584-M1624 HydrophobicContact CG-CE 3.67Å; P1584-M1624 HydrophobicContact CG-CG 3.56Å; P1584-M1624 HydrophobicContact CG-SD 3.57Å; P1584-M1624 VanDerWaalsContact CG-SD 3.57Å; P1589-M1624 HydrophobicContact CB-CG 4.25Å; P1589-M1624 HydrophobicContact CB-SD 3.5Å; P1589-M1624 VanDerWaalsContact CB-SD 3.5Å; P1589-M1624 HydrophobicContact CG-SD 3.91Å; V1597-M1624 HydrophobicContact CG1-CE 3.98Å; V1597-M1624 HydrophobicContact CG1-SD 3.6Å; V1597-M1624 VanDerWaalsContact CG1-SD 3.6Å; V1598-M1624 VanDerWaalsContact O-CB 3.27Å; V1598-M1624 WeakPolarHBondContact O-CB 3.47Å; Y1599-M1624 HydrophobicContact CD1-CB 4.02Å; Y1599-M1624 HydrophobicContact CD1-CE 4.23Å; Y1599-M1624 HydrophobicContact CE1-CB 4.44Å; Y1599-M1624 HydrophobicContact CE1-CE 3.56Å; C1600-M1624 PolarHBondContact SG-O 3.42Å; C1600-M1624 VanDerWaalsContact SG-O 3.41Å; H1615-M1624 VanDerWaalsContact CB-O 3.32Å; H1615-M1624 WeakPolarHBondContact CB-O 3.38Å; H1615-M1624 PolarHBondContact N-O 3.18Å; H1615-M1624 PolarHBondContact O-N 3.16Å; E1621-M1624 WeakPolarHBondContact O-CE 3.42Å; M1624-C1626 PolarHBondContact O-N 3.41Å
1625	C	89.8	Confident	81	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	104.5	-177.3	-68.1	0	0	0	0	111.1	P1589 A1590 V1598 C1600 C1608 F1612 W1613	P1589-C1625 CarbonylContact C-O 3.4Å; P1589-C1625 VanDerWaalsContact CA-O 3.24Å; P1589-C1625 WeakPolarHBondContact CA-O 3.43Å; A1590-C1625 HydrophobicContact CB-CB 4.2Å; A1590-C1625 PolarHBondContact N-O 2.8Å; V1598-C1625 HydrophobicContact CB-CB 3.95Å; V1598-C1625 HydrophobicContact CG1-CB 3.55Å; V1598-C1625 WeakPolarHBondContact CG1-SG 3.36Å; V1598-C1625 PolarHBondContact O-N 3.3Å; C1600-C1625 VanDerWaalsContact CB-SG 3.56Å; C1608-C1625 WeakPolarHBondContact CA-SG 3.39Å; C1608-C1625 HydrophobicContact CB-CB 3.65Å; C1608-C1625 WeakPolarHBondContact CB-SG 3.23Å; C1608-C1625 PolarHBondContact N-SG 3.09Å; C1608-C1625 WeakPolarHBondContact SG-CA 3.04Å; C1608-C1625 WeakPolarHBondContact SG-CB 3.42Å; C1608-C1625 CovalentContact SG-SG 2.02Å; C1608-C1625 PolarHBondContact SG-SG 2.98Å; F1612-C1625 HydrophobicContact CB-CB 4.15Å; F1612-C1625 WeakPolarHBondContact CD1-O 3.49Å; W1613-C1625 WeakPolarHBondContact O-CA 3.25Å
1626	C	87.2	Confident	81	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.02	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	155	179.2	-62.2	0	0	0	0	111	C1585 F1612 W1613 H1615 M1624 G1628	C1585-C1626 WeakPolarHBondContact CA-SG 3.5Å; C1585-C1626 HydrophobicContact CB-CB 3.59Å; C1585-C1626 WeakPolarHBondContact CB-SG 3.24Å; C1585-C1626 WeakPolarHBondContact SG-CA 3.38Å; C1585-C1626 WeakPolarHBondContact SG-CB 3.43Å; C1585-C1626 CovalentContact SG-SG 2.03Å; C1585-C1626 PolarHBondContact SG-SG 2.79Å; F1612-C1626 CarbonylContact C-O 3.51Å; F1612-C1626 WeakPolarHBondContact CA-O 3.44Å; F1612-C1626 WeakPolarHBondContact CB-O 3.16Å; F1612-C1626 VanDerWaalsContact CD1-C 3.4Å; F1612-C1626 WeakPolarHBondContact CD1-O 3.35Å; W1613-C1626 PolarHBondContact N-O 2.97Å; W1613-C1626 PolarHBondContact O-N 3.11Å; H1615-C1626 HydrophobicContact CB-CB 3.98Å; H1615-C1626 WeakPolarHBondContact CB-SG 3.43Å; M1624-C1626 PolarHBondContact O-N 3.41Å; C1626-G1628 PolarHBondContact O-N 3.44Å
1627	P	84.2	Confident	81	Confident	52 Å²	52	48.6 Å²	48.6	34%	0.338	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	139.2	175.6	-24.4	35.7	0	0	0	110.9	Q1588 F1612 W1613	Q1588-P1627 VanDerWaalsContact O-CD 3.24Å; Q1588-P1627 WeakPolarHBondContact O-CD 3.14Å; Q1588-P1627 WeakPolarHBondContact O-CG 3.49Å; F1612-P1627 HydrophobicContact CD1-CG 4.31Å; F1612-P1627 HydrophobicContact CE1-CB 4.45Å; F1612-P1627 HydrophobicContact CE1-CG 3.86Å; W1613-P1627 PolarHBondContact NE1-O 2.99Å; W1613-P1627 VanDerWaalsContact NE1-O 3.14Å
1628	G	76	Confident	81.3	Confident	20 Å²	20	50 Å²	50	21%	0.206	32%	0.315	C	S	.	.			trans	-140.2	148.8	-171.4	0	0	0	0	0	114.1	N1611 C1626 Q1670	N1611-G1628 PolarHBondContact O-N 3.35Å; C1626-G1628 PolarHBondContact O-N 3.44Å; G1628-Q1670 VanDerWaalsContact CA-CD 3.48Å; G1628-Q1670 VanDerWaalsContact CA-NE2 3.33Å
1629	A	71	Confident	81.5	Confident	44 Å²	44	50.2 Å²	50.2	36%	0.364	32%	0.32	S	S	.	.			trans	-67.4	156.5	167.7	0	0	0	0	0	111.7	N1631 V1635 Q1670	A1629-N1631 VanDerWaalsContact C-N 3.31Å; A1629-N1631 PolarHBondContact O-N 3.27Å; A1629-V1635 HydrophobicContact CB-CG1 3.66Å; A1629-Q1670 VanDerWaalsContact N-NE2 3.17Å; A1629-Q1670 PolarHBondContact O-NE2 3.08Å
1630	T	67.6	Low	81.8	Confident	137 Å²	137	48.1 Å²	48.1	84%	0.84	31%	0.31	S	S	*	.	S	Bend	trans	-68.5	-25.5	178.1	47.3	0	0	0	0	114
1631	N	80.7	Confident	82.2	Confident	70 Å²	70	50.4 Å²	50.4	37%	0.374	32%	0.316	S	S	.	.			trans	-127.1	108.3	178.3	-172.6	-15.1	0	0	0	111.1	A1629 C1633 S1634	A1629-N1631 VanDerWaalsContact C-N 3.31Å; A1629-N1631 PolarHBondContact O-N 3.27Å; N1631-C1633 PolarHBondContact O-N 3.32Å; N1631-C1633 VanDerWaalsContact OD1-CB 3.26Å; N1631-C1633 WeakPolarHBondContact OD1-CB 3.5Å; N1631-C1633 PolarHBondContact OD1-N 2.88Å; N1631-C1633 PolarHBondContact OD1-SG 3.08Å; N1631-S1634 PolarHBondContact ND2-OG 3.34Å; N1631-S1634 PolarHBondContact O-N 3.42Å
1632	P	79.8	Confident	82.6	Confident	42 Å²	42	45.1 Å²	45.1	27%	0.273	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-56.7	-30.8	175.3	-28.5	37.5	0	0	0	114.7	S1634 V1635 Q1670 N1671 F1673	P1632-S1634 VanDerWaalsContact C-N 3.26Å; P1632-S1634 PolarHBondContact O-N 2.89Å; P1632-V1635 WeakPolarHBondContact O-CG2 3.17Å; P1632-Q1670 HydrophobicContact CB-CB 3.84Å; P1632-Q1670 HydrophobicContact CG-CB 4.18Å; P1632-N1671 WeakPolarHBondContact O-CB 3.36Å; P1632-F1673 HydrophobicContact CB-CZ 4Å
1633	C	85.2	Confident	82.6	Confident	14 Å²	14	51.2 Å²	51.2	10%	0.095	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-77.5	-14.1	-173.4	-45.2	0	0	0	0	113	N1631 Y1651 A1682 C1683	N1631-C1633 PolarHBondContact O-N 3.32Å; N1631-C1633 VanDerWaalsContact OD1-CB 3.26Å; N1631-C1633 WeakPolarHBondContact OD1-CB 3.5Å; N1631-C1633 PolarHBondContact OD1-N 2.88Å; N1631-C1633 PolarHBondContact OD1-SG 3.08Å; C1633-Y1651 HydrophobicContact CB-CD1 3.85Å; C1633-Y1651 HydrophobicContact CB-CE1 4.27Å; C1633-Y1651 HydrophobicContact CB-CG 4.43Å; C1633-A1682 PolarHBondContact SG-O 2.95Å; C1633-A1682 VanDerWaalsContact SG-O 3.38Å; C1633-C1683 VanDerWaalsContact CA-SG 3.58Å; C1633-C1683 HydrophobicContact CB-CB 3.78Å; C1633-C1683 WeakPolarHBondContact CB-SG 3.34Å; C1633-C1683 WeakPolarHBondContact SG-CA 3.25Å; C1633-C1683 WeakPolarHBondContact SG-CB 3.42Å; C1633-C1683 CovalentContact SG-SG 2.03Å; C1633-C1683 PolarHBondContact SG-SG 3.37Å
1634	S	83.4	Confident	82.3	Confident	88 Å²	88	52 Å²	52	62%	0.615	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-98.2	-7	-177.6	-54.6	0	0	0	0	113.9	N1631 P1632	N1631-S1634 PolarHBondContact ND2-OG 3.34Å; N1631-S1634 PolarHBondContact O-N 3.42Å; P1632-S1634 VanDerWaalsContact C-N 3.26Å; P1632-S1634 PolarHBondContact O-N 2.89Å
1635	V	84.3	Confident	82.4	Confident	26 Å²	26	56.5 Å²	56.5	16%	0.158	37%	0.371	C	S	.	.	S	Bend	trans	-93.4	141.4	179.2	-55.3	0	0	0	0	111.2	A1629 P1632 N1669 Q1670 N1671	A1629-V1635 HydrophobicContact CB-CG1 3.66Å; P1632-V1635 WeakPolarHBondContact O-CG2 3.17Å; V1635-N1669 HydrophobicContact CG2-CB 4.23Å; V1635-Q1670 HydrophobicContact CG2-CB 4.42Å; V1635-N1671 HydrophobicContact CG2-CB 3.78Å; V1635-N1671 WeakPolarHBondContact O-CB 3.44Å; V1635-N1671 PolarHBondContact O-ND2 3.15Å
1636	P	86	Confident	82.1	Confident	102 Å²	102	58.8 Å²	58.8	66%	0.662	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-68.1	153.5	-178.1	27.9	-35.4	0	0	0	111.8	S1638 N1669	P1636-S1638 PolarHBondContact O-N 3.22Å; P1636-N1669 PolarHBondContact O-ND2 2.95Å; P1636-N1669 PolarHBondContact O-OD1 3.06Å
1637	L	87	Confident	82.3	Confident	68 Å²	68	63.8 Å²	63.8	36%	0.356	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-51.5	130.9	174.1	173.2	62.4	0	0	0	111.8	Y1650 F1661	L1637-Y1650 HydrophobicContact CB-CD2 4.04Å; L1637-Y1650 HydrophobicContact CB-CE2 4.19Å; L1637-Y1650 HydrophobicContact CB-CG 4.37Å; L1637-Y1650 HydrophobicContact CD1-CD1 3.99Å; L1637-Y1650 HydrophobicContact CD1-CD2 4.42Å; L1637-Y1650 HydrophobicContact CD1-CG 3.9Å; L1637-Y1650 HydrophobicContact CD2-CD1 4.17Å; L1637-Y1650 HydrophobicContact CD2-CE1 3.93Å; L1637-Y1650 HydrophobicContact CD2-CE2 4.44Å; L1637-Y1650 HydrophobicContact CG-CG 4.49Å; L1637-F1661 HydrophobicContact CD1-CB 4.28Å; L1637-F1661 HydrophobicContact CD1-CD1 3.8Å; L1637-F1661 HydrophobicContact CD1-CD2 3.49Å; L1637-F1661 VanDerWaalsContact CD1-CD2 3.49Å; L1637-F1661 HydrophobicContact CD1-CE1 3.87Å; L1637-F1661 HydrophobicContact CD1-CE2 3.58Å; L1637-F1661 HydrophobicContact CD1-CG 3.6Å; L1637-F1661 HydrophobicContact CD1-CZ 3.76Å
1638	S	89.2	Confident	82.6	Confident	34 Å²	34	62 Å²	62	24%	0.238	40%	0.402	C	S	.	.			trans	-134.9	107.1	177.1	-170.2	0	0	0	0	111.8	P1636 G1640	P1636-S1638 PolarHBondContact O-N 3.22Å; S1638-G1640 VanDerWaalsContact C-N 3.28Å; S1638-G1640 PolarHBondContact O-N 3.5Å
1639	P	83.8	Confident	83.4	Confident	61 Å²	61	64 Å²	64	40%	0.396	40%	0.404	S	S	.	.			trans	-66.6	-18.8	-175.6	-24.7	35.2	0	0	0	115.8	Y1663 N1664	P1639-Y1663 WeakPolarHBondContact O-CD2 3.32Å; P1639-N1664 VanDerWaalsContact O-CB 3.29Å; P1639-N1664 WeakPolarHBondContact O-CB 3.44Å; P1639-N1664 PolarHBondContact O-N 2.86Å
1640	G	85.1	Confident	84.3	Confident	17 Å²	17	64 Å²	64	18%	0.175	40%	0.395	C	S	.	.			trans	83.4	175.5	-174.2	0	0	0	0	0	114.6	S1638 N1664 I1666	S1638-G1640 VanDerWaalsContact C-N 3.28Å; S1638-G1640 PolarHBondContact O-N 3.5Å; G1640-N1664 PolarHBondContact O-ND2 2.8Å; G1640-I1666 CarbonylContact C-O 3.57Å; G1640-I1666 WeakPolarHBondContact CA-O 3.08Å
1641	T	81.3	Confident	85.5	Confident	122 Å²	122	58.7 Å²	58.7	75%	0.748	36%	0.359	S	S	*	.	S	Bend	trans	-119.7	3	-169.4	55.6	0	0	0	0	114.9	I1666	T1641-I1666 PolarHBondContact N-O 3.12Å
1642	G	80.3	Confident	85.8	Confident	17 Å²	17	57 Å²	57	18%	0.175	35%	0.35	C	S	.	.	S	Bend	trans	-77.3	-167.1	174.7	0	0	0	0	0	113.3	N1664	G1642-N1664 CarbonylContact C-O 3.52Å; G1642-N1664 WeakPolarHBondContact CA-O 3.25Å
1643	T	81.5	Confident	85.9	Confident	143 Å²	143	57.8 Å²	57.8	88%	0.877	36%	0.36	S	S	*	.	S	Bend	trans	-115.8	2.6	-178.7	53.7	0	0	0	0	113.7	N1664	T1643-N1664 PolarHBondContact N-O 2.03Å
1644	S	79.2	Confident	85.7	Confident	33 Å²	33	64.4 Å²	64.4	23%	0.231	40%	0.395	C	S	.	.			trans	-77.8	166	178.9	-70.2	0	0	0	0	111.1	D1618 N1664	D1618-S1644 WeakPolarHBondContact CB-OG 3.39Å; D1618-S1644 PolarHBondContact OD2-OG 3.22Å; S1644-N1664 PolarHBondContact N-O 2.76Å; S1644-N1664 VanDerWaalsContact N-O 3.12Å; S1644-N1664 VanDerWaalsContact O-CA 3.31Å; S1644-N1664 WeakPolarHBondContact O-CA 3.5Å
1645	S	86.9	Confident	85.7	Confident	94 Å²	94	63.8 Å²	63.8	66%	0.657	39%	0.387	S	S	*	.			trans	-134.4	75.6	-177.3	-168.4	0	0	0	0	110	T1662	S1645-T1662 VanDerWaalsContact OG-CG2 3.3Å; S1645-T1662 WeakPolarHBondContact OG-CG2 3.4Å
1646	L	85.4	Confident	85.7	Confident	47 Å²	47	69.1 Å²	69.1	25%	0.246	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.6	-169.5	-58.5	170.6	0	0	0	110.2	G1617 D1618 R1648 Y1663	G1617-L1646 WeakPolarHBondContact O-CD1 3.4Å; D1618-L1646 HydrophobicContact CB-CD1 4.11Å; L1646-R1648 PolarHBondContact O-N 2.04Å; L1646-Y1663 HydrophobicContact CB-CD1 4.31Å; L1646-Y1663 WeakPolarHBondContact CB-O 3.23Å; L1646-Y1663 HydrophobicContact CD1-CD1 3.92Å; L1646-Y1663 HydrophobicContact CD1-CE1 4.24Å; L1646-Y1663 PolarHBondContact N-O 3.12Å; L1646-Y1663 PolarHBondContact O-N 2.03Å
1647	P	89.9	Confident	85.7	Confident	108 Å²	108	68.8 Å²	68.8	70%	0.701	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	128.3	175.4	28	-33.1	0	0	0	110.2
1648	R	91.4	Very high	85.9	Confident	14 Å²	14	65.8 Å²	65.8	5%	0.053	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	173.8	-176.9	-64.8	-67.1	176.6	78.8	3.9	110	I1616 G1617 L1646 P1660 F1661 Y1663 N1672 F1673	I1616-R1648 VanDerWaalsContact CG2-NH2 3.34Å; I1616-R1648 PolarHBondContact O-NH1 3.24Å; I1616-R1648 PolarHBondContact O-NH2 3.22Å; G1617-R1648 PolarHBondContact O-NH2 3.12Å; L1646-R1648 PolarHBondContact O-N 2.04Å; R1648-P1660 CarbonylContact O-C 2.83Å; R1648-P1660 VanDerWaalsContact O-CA 3.28Å; R1648-P1660 WeakPolarHBondContact O-CA 3.04Å; R1648-F1661 HydrophobicContact CB-CD1 3.94Å; R1648-F1661 HydrophobicContact CB-CE1 3.46Å; R1648-F1661 VanDerWaalsContact CB-CE1 3.46Å; R1648-F1661 HydrophobicContact CB-CE2 4.34Å; R1648-F1661 HydrophobicContact CB-CZ 3.7Å; R1648-F1661 HydrophobicContact CG-CZ 4.48Å; R1648-F1661 PolarHBondContact N-O 2.8Å; R1648-F1661 PolarHBondContact O-N 3.45Å; R1648-F1661 VanDerWaalsContact O-O 3.1Å; R1648-Y1663 HydrophobicContact CG-CD1 4.46Å; R1648-Y1663 HydrophobicContact CG-CG 4.34Å; R1648-Y1663 VanDerWaalsContact NH1-CD1 3.32Å; R1648-N1672 WeakPolarHBondContact CB-OD1 3.48Å; R1648-N1672 VanDerWaalsContact CD-OD1 3.26Å; R1648-N1672 WeakPolarHBondContact CD-OD1 3.36Å; R1648-N1672 WeakPolarHBondContact CG-OD1 3.47Å; R1648-N1672 PolarHBondContact NH1-ND2 2.03Å; R1648-N1672 PolarHBondContact NH1-OD1 3.42Å; R1648-F1673 CarbonylContact C-O 3.58Å; R1648-F1673 VanDerWaalsContact CA-O 3.3Å; R1648-F1673 WeakPolarHBondContact CA-O 3.39Å; R1648-F1673 WeakPolarHBondContact CB-O 3.48Å; R1648-F1673 WeakPolarHBondContact CD-O 3.46Å
1649	W	92.3	Very high	85.9	Confident	64 Å²	64	66.4 Å²	66.4	24%	0.242	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.9	179.8	-68.9	74.1	0	0	0	109.7	C1658 T1659 P1660 F1673 N1675 K1676 C1679	W1649-C1658 HydrophobicContact CE3-CB 4.49Å; W1649-C1658 WeakPolarHBondContact CZ3-O 3.49Å; W1649-T1659 CarbonylContact C-O 3.52Å; W1649-T1659 WeakPolarHBondContact CA-O 3.32Å; W1649-T1659 VanDerWaalsContact CE3-C 3.49Å; W1649-P1660 HydrophobicContact CD2-CB 4Å; W1649-P1660 HydrophobicContact CE3-CB 4.16Å; W1649-P1660 HydrophobicContact CH2-CB 4.06Å; W1649-P1660 HydrophobicContact CH2-CG 4Å; W1649-P1660 HydrophobicContact CZ2-CB 3.9Å; W1649-P1660 HydrophobicContact CZ2-CG 4.29Å; W1649-P1660 HydrophobicContact CZ3-CB 4.19Å; W1649-P1660 VanDerWaalsContact CZ3-CD 3.47Å; W1649-P1660 HydrophobicContact CZ3-CG 4.12Å; W1649-F1673 HydrophobicContact CB-CB 4.28Å; W1649-F1673 PolarHBondContact N-O 2.64Å; W1649-F1673 WeakPolarHBondContact O-CB 3.18Å; W1649-F1673 WeakPolarHBondContact O-CD2 3.35Å; W1649-F1673 PolarHBondContact O-N 3.48Å; W1649-N1675 VanDerWaalsContact CD1-C 3.49Å; W1649-K1676 HydrophobicContact CD2-CB 3.66Å; W1649-K1676 HydrophobicContact CD2-CG 4.26Å; W1649-K1676 HydrophobicContact CE3-CB 3.57Å; W1649-K1676 HydrophobicContact CE3-CD 4.17Å; W1649-K1676 HydrophobicContact CE3-CG 3.63Å; W1649-K1676 HydrophobicContact CG-CB 4.39Å; W1649-K1676 HydrophobicContact CH2-CB 3.89Å; W1649-K1676 HydrophobicContact CH2-CD 3.75Å; W1649-K1676 HydrophobicContact CH2-CG 4.05Å; W1649-K1676 HydrophobicContact CZ2-CB 3.96Å; W1649-K1676 HydrophobicContact CZ3-CB 3.68Å; W1649-K1676 HydrophobicContact CZ3-CD 3.5Å; W1649-K1676 HydrophobicContact CZ3-CG 3.51Å; W1649-C1679 HydrophobicContact CB-CB 4.29Å
1650	Y	90.9	Very high	86.3	Confident	44 Å²	44	67.2 Å²	67.2	17%	0.173	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.9	176.2	83.2	-80	0	0	0	110.3	L1637 N1652 C1658 T1659 F1661 N1671 C1679	L1637-Y1650 HydrophobicContact CB-CD2 4.04Å; L1637-Y1650 HydrophobicContact CB-CE2 4.19Å; L1637-Y1650 HydrophobicContact CB-CG 4.37Å; L1637-Y1650 HydrophobicContact CD1-CD1 3.99Å; L1637-Y1650 HydrophobicContact CD1-CD2 4.42Å; L1637-Y1650 HydrophobicContact CD1-CG 3.9Å; L1637-Y1650 HydrophobicContact CD2-CD1 4.17Å; L1637-Y1650 HydrophobicContact CD2-CE1 3.93Å; L1637-Y1650 HydrophobicContact CD2-CE2 4.44Å; L1637-Y1650 HydrophobicContact CG-CG 4.49Å; Y1650-N1652 HydrophobicContact CE2-CB 4.04Å; Y1650-C1658 WeakPolarHBondContact O-CA 3.2Å; Y1650-T1659 VanDerWaalsContact CD1-O 3.29Å; Y1650-T1659 WeakPolarHBondContact CD1-O 3.47Å; Y1650-T1659 HydrophobicContact CE1-CG2 4.04Å; Y1650-T1659 PolarHBondContact N-O 2.8Å; Y1650-T1659 PolarHBondContact O-N 2.81Å; Y1650-F1661 HydrophobicContact CD1-CB 4.2Å; Y1650-F1661 AromaticContact CD1-CD1 3.82Å; Y1650-F1661 HydrophobicContact CD1-CD1 3.82Å; Y1650-F1661 HydrophobicContact CD1-CG 4.29Å; Y1650-F1661 HydrophobicContact CG-CD1 4.32Å; Y1650-N1671 WeakPolarHBondContact CA-OD1 3.19Å; Y1650-N1671 VanDerWaalsContact CB-O 3.29Å; Y1650-N1671 WeakPolarHBondContact CB-O 3.03Å; Y1650-N1671 WeakPolarHBondContact CB-OD1 3.38Å; Y1650-C1679 VanDerWaalsContact C-SG 3.55Å
1651	Y	91.5	Very high	86.7	Confident	24 Å²	24	67.7 Å²	67.7	9%	0.094	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.6	174.4	-176.7	-104	0	0	0	109.7	C1633 A1653 R1656 N1671 C1679 C1683	C1633-Y1651 HydrophobicContact CB-CD1 3.85Å; C1633-Y1651 HydrophobicContact CB-CE1 4.27Å; C1633-Y1651 HydrophobicContact CB-CG 4.43Å; Y1651-A1653 HydrophobicContact CD1-CB 4.41Å; Y1651-A1653 HydrophobicContact CE1-CB 4.19Å; Y1651-R1656 HydrophobicContact CE2-CB 4.47Å; Y1651-R1656 WeakPolarHBondContact OH-CB 3.28Å; Y1651-N1671 PolarHBondContact N-OD1 3.07Å; Y1651-N1671 PolarHBondContact O-ND2 2.94Å; Y1651-C1679 PolarHBondContact N-SG 3.4Å; Y1651-C1679 VanDerWaalsContact N-SG 3.45Å; Y1651-C1683 HydrophobicContact CD1-CB 3.95Å; Y1651-C1683 HydrophobicContact CD2-CB 3.27Å; Y1651-C1683 HydrophobicContact CE1-CB 4.3Å; Y1651-C1683 HydrophobicContact CE2-CB 3.68Å; Y1651-C1683 VanDerWaalsContact CE2-O 3.24Å; Y1651-C1683 WeakPolarHBondContact CE2-O 3.04Å; Y1651-C1683 HydrophobicContact CG-CB 3.39Å
1652	N	87.7	Confident	87.1	Confident	34 Å²	34	65.4 Å²	65.4	18%	0.182	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.7	170.1	-179.6	-37.1	0	0	0	108.6	Y1650 D1654 T1655 R1656 I1657	Y1650-N1652 HydrophobicContact CE2-CB 4.04Å; N1652-D1654 VanDerWaalsContact C-N 3.3Å; N1652-D1654 PolarHBondContact O-N 2.91Å; N1652-D1654 WeakPolarHBondContact OD1-CB 3.03Å; N1652-D1654 PolarHBondContact OD1-N 3.09Å; N1652-T1655 WeakPolarHBondContact CB-OG1 3.47Å; N1652-T1655 PolarHBondContact OD1-N 2.86Å; N1652-R1656 VanDerWaalsContact O-CA 3.23Å; N1652-R1656 WeakPolarHBondContact O-CA 3.24Å; N1652-R1656 PolarHBondContact O-N 3.47Å; N1652-I1657 PolarHBondContact N-O 3.46Å; N1652-I1657 VanDerWaalsContact N-O 3.1Å; N1652-I1657 PolarHBondContact O-N 2.63Å
1653	A	80.7	Confident	87.7	Confident	59 Å²	59	64.6 Å²	64.6	49%	0.488	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.3	-176.1	0	0	0	0	0	114.1	Y1651	Y1651-A1653 HydrophobicContact CD1-CB 4.41Å; Y1651-A1653 HydrophobicContact CE1-CB 4.19Å
1654	D	81.3	Confident	87.9	Confident	153 Å²	153	60 Å²	60	82%	0.818	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-46.3	179.1	-58.2	-47.1	0	0	0	111	N1652	N1652-D1654 VanDerWaalsContact C-N 3.3Å; N1652-D1654 PolarHBondContact O-N 2.91Å; N1652-D1654 WeakPolarHBondContact OD1-CB 3.03Å; N1652-D1654 PolarHBondContact OD1-N 3.09Å
1655	T	84.9	Confident	88	Confident	76 Å²	76	58.5 Å²	58.5	47%	0.466	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-18	179.3	63.5	0	0	0	0	113.2	N1652 I1657	N1652-T1655 WeakPolarHBondContact CB-OG1 3.47Å; N1652-T1655 PolarHBondContact OD1-N 2.86Å; T1655-I1657 VanDerWaalsContact C-N 3.25Å; T1655-I1657 PolarHBondContact O-N 3.09Å; T1655-I1657 PolarHBondContact OG1-N 3Å
1656	R	82.7	Confident	88	Confident	137 Å²	137	56 Å²	56	52%	0.517	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	33.2	-170.5	-53.5	-174.5	-177.4	-153.9	-2.7	113.6	Y1651 N1652	Y1651-R1656 HydrophobicContact CE2-CB 4.47Å; Y1651-R1656 WeakPolarHBondContact OH-CB 3.28Å; N1652-R1656 VanDerWaalsContact O-CA 3.23Å; N1652-R1656 WeakPolarHBondContact O-CA 3.24Å; N1652-R1656 PolarHBondContact O-N 3.47Å
1657	I	85.9	Confident	87.9	Confident	95 Å²	95	54 Å²	54	49%	0.487	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.1	-175.6	-65.5	166.3	0	0	0	110.5	N1652 T1655 T1659	N1652-I1657 PolarHBondContact N-O 3.46Å; N1652-I1657 VanDerWaalsContact N-O 3.1Å; N1652-I1657 PolarHBondContact O-N 2.63Å; T1655-I1657 VanDerWaalsContact C-N 3.25Å; T1655-I1657 PolarHBondContact O-N 3.09Å; T1655-I1657 PolarHBondContact OG1-N 3Å; I1657-T1659 PolarHBondContact O-OG1 2.76Å
1658	C	91.7	Very high	87.7	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.1	173.1	-72.5	0	0	0	0	112.1	W1649 Y1650 K1676 C1679 E1680	W1649-C1658 HydrophobicContact CE3-CB 4.49Å; W1649-C1658 WeakPolarHBondContact CZ3-O 3.49Å; Y1650-C1658 WeakPolarHBondContact O-CA 3.2Å; C1658-K1676 HydrophobicContact CB-CG 4.18Å; C1658-C1679 HydrophobicContact CB-CB 3.69Å; C1658-C1679 WeakPolarHBondContact CB-SG 3.24Å; C1658-C1679 WeakPolarHBondContact SG-CB 3.37Å; C1658-C1679 CovalentContact SG-SG 2.03Å; C1658-C1679 PolarHBondContact SG-SG 2.95Å; C1658-E1680 HydrophobicContact CB-CG 3.8Å; C1658-E1680 PolarHBondContact SG-N 2.91Å; C1658-E1680 VanDerWaalsContact SG-N 3.36Å
1659	T	89.3	Confident	87.5	Confident	47 Å²	47	50 Å²	50	29%	0.288	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.3	-170.1	-51.4	0	0	0	0	110.3	W1649 Y1650 I1657	W1649-T1659 CarbonylContact C-O 3.52Å; W1649-T1659 WeakPolarHBondContact CA-O 3.32Å; W1649-T1659 VanDerWaalsContact CE3-C 3.49Å; Y1650-T1659 VanDerWaalsContact CD1-O 3.29Å; Y1650-T1659 WeakPolarHBondContact CD1-O 3.47Å; Y1650-T1659 HydrophobicContact CE1-CG2 4.04Å; Y1650-T1659 PolarHBondContact N-O 2.8Å; Y1650-T1659 PolarHBondContact O-N 2.81Å; I1657-T1659 PolarHBondContact O-OG1 2.76Å
1660	P	92.5	Very high	87.2	Confident	78 Å²	78	47.9 Å²	47.9	51%	0.506	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	152.4	-179.7	31.2	-32.3	0	0	0	112.5	R1648 W1649	R1648-P1660 CarbonylContact O-C 2.83Å; R1648-P1660 VanDerWaalsContact O-CA 3.28Å; R1648-P1660 WeakPolarHBondContact O-CA 3.04Å; W1649-P1660 HydrophobicContact CD2-CB 4Å; W1649-P1660 HydrophobicContact CE3-CB 4.16Å; W1649-P1660 HydrophobicContact CH2-CB 4.06Å; W1649-P1660 HydrophobicContact CH2-CG 4Å; W1649-P1660 HydrophobicContact CZ2-CB 3.9Å; W1649-P1660 HydrophobicContact CZ2-CG 4.29Å; W1649-P1660 HydrophobicContact CZ3-CB 4.19Å; W1649-P1660 VanDerWaalsContact CZ3-CD 3.47Å; W1649-P1660 HydrophobicContact CZ3-CG 4.12Å
1661	F	92.5	Very high	87.1	Confident	27 Å²	27	46 Å²	46	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	172	174.2	80.8	-80.8	0	0	0	111.9	L1637 R1648 Y1650 N1672	L1637-F1661 HydrophobicContact CD1-CB 4.28Å; L1637-F1661 HydrophobicContact CD1-CD1 3.8Å; L1637-F1661 HydrophobicContact CD1-CD2 3.49Å; L1637-F1661 VanDerWaalsContact CD1-CD2 3.49Å; L1637-F1661 HydrophobicContact CD1-CE1 3.87Å; L1637-F1661 HydrophobicContact CD1-CE2 3.58Å; L1637-F1661 HydrophobicContact CD1-CG 3.6Å; L1637-F1661 HydrophobicContact CD1-CZ 3.76Å; R1648-F1661 HydrophobicContact CB-CD1 3.94Å; R1648-F1661 HydrophobicContact CB-CE1 3.46Å; R1648-F1661 VanDerWaalsContact CB-CE1 3.46Å; R1648-F1661 HydrophobicContact CB-CE2 4.34Å; R1648-F1661 HydrophobicContact CB-CZ 3.7Å; R1648-F1661 HydrophobicContact CG-CZ 4.48Å; R1648-F1661 PolarHBondContact N-O 2.8Å; R1648-F1661 PolarHBondContact O-N 3.45Å; R1648-F1661 VanDerWaalsContact O-O 3.1Å; Y1650-F1661 HydrophobicContact CD1-CB 4.2Å; Y1650-F1661 AromaticContact CD1-CD1 3.82Å; Y1650-F1661 HydrophobicContact CD1-CD1 3.82Å; Y1650-F1661 HydrophobicContact CD1-CG 4.29Å; Y1650-F1661 HydrophobicContact CG-CD1 4.32Å; F1661-N1672 HydrophobicContact CZ-CB 4.1Å
1662	T	91.6	Very high	87.1	Confident	75 Å²	75	45.2 Å²	45.2	46%	0.46	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.1	175.6	-55.9	0	0	0	0	111.3	S1645	S1645-T1662 VanDerWaalsContact OG-CG2 3.3Å; S1645-T1662 WeakPolarHBondContact OG-CG2 3.4Å
1663	Y	91.1	Very high	87.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.1	-179.1	171.5	-108.4	0	0	0	112.2	H1615 I1616 P1639 L1646 R1648 G1665 I1666 G1667 N1672	H1615-Y1663 PolarHBondContact CE1-OH 2.93Å; H1615-Y1663 VanDerWaalsContact CE1-OH 3.26Å; H1615-Y1663 AromaticContact NE2-CZ 3.67Å; H1615-Y1663 PolarHBondContact NE2-OH 3.44Å; I1616-Y1663 WeakPolarHBondContact O-CE1 3.25Å; P1639-Y1663 WeakPolarHBondContact O-CD2 3.32Å; L1646-Y1663 HydrophobicContact CB-CD1 4.31Å; L1646-Y1663 WeakPolarHBondContact CB-O 3.23Å; L1646-Y1663 HydrophobicContact CD1-CD1 3.92Å; L1646-Y1663 HydrophobicContact CD1-CE1 4.24Å; L1646-Y1663 PolarHBondContact N-O 3.12Å; L1646-Y1663 PolarHBondContact O-N 2.03Å; R1648-Y1663 HydrophobicContact CG-CD1 4.46Å; R1648-Y1663 HydrophobicContact CG-CG 4.34Å; R1648-Y1663 VanDerWaalsContact NH1-CD1 3.32Å; Y1663-G1665 PolarHBondContact OH-O 3.47Å; Y1663-I1666 PolarHBondContact OH-N 3.14Å; Y1663-G1667 PolarHBondContact OH-O 3.34Å; Y1663-N1672 WeakPolarHBondContact CD2-ND2 3.42Å; Y1663-N1672 WeakPolarHBondContact CE2-ND2 3.22Å
1664	N	87.3	Confident	87.3	Confident	47 Å²	47	44.5 Å²	44.5	25%	0.251	24%	0.238	S	C	.	.			trans	-90.6	1.6	-164.5	-68	-20.1	0	0	0	115.7	P1639 G1640 G1642 T1643 S1644 I1666	P1639-N1664 VanDerWaalsContact O-CB 3.29Å; P1639-N1664 WeakPolarHBondContact O-CB 3.44Å; P1639-N1664 PolarHBondContact O-N 2.86Å; G1640-N1664 PolarHBondContact O-ND2 2.8Å; G1642-N1664 CarbonylContact C-O 3.52Å; G1642-N1664 WeakPolarHBondContact CA-O 3.25Å; T1643-N1664 PolarHBondContact N-O 2.03Å; S1644-N1664 PolarHBondContact N-O 2.76Å; S1644-N1664 VanDerWaalsContact N-O 3.12Å; S1644-N1664 VanDerWaalsContact O-CA 3.31Å; S1644-N1664 WeakPolarHBondContact O-CA 3.5Å; N1664-I1666 PolarHBondContact O-N 3.33Å
1665	G	80.9	Confident	87.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	90.2	-24	175.2	0	0	0	0	0	116.4	H1615 G1617 D1618 Y1663	H1615-G1665 PolarHBondContact CE1-O 2.87Å; G1617-G1665 CarbonylContact C-O 3.53Å; G1617-G1665 WeakPolarHBondContact CA-O 3.32Å; D1618-G1665 PolarHBondContact N-O 3.18Å; Y1663-G1665 PolarHBondContact OH-O 3.47Å
1666	I	86.4	Confident	87.8	Confident	43 Å²	43	41 Å²	41	22%	0.221	21%	0.213	C	C	.	.	S	Bend	trans	-131.3	141.2	179.3	-58	178.5	0	0	0	109.9	P1584 H1615 T1622 G1640 T1641 Y1663 N1664	P1584-I1666 HydrophobicContact CB-CG2 4.21Å; H1615-I1666 VanDerWaalsContact NE2-CA 3.34Å; H1615-I1666 WeakPolarHBondContact NE2-CA 3.4Å; T1622-I1666 HydrophobicContact CG2-CD1 4.34Å; T1622-I1666 HydrophobicContact CG2-CG1 4.18Å; G1640-I1666 CarbonylContact C-O 3.57Å; G1640-I1666 WeakPolarHBondContact CA-O 3.08Å; T1641-I1666 PolarHBondContact N-O 3.12Å; Y1663-I1666 PolarHBondContact OH-N 3.14Å; N1664-I1666 PolarHBondContact O-N 3.33Å
1667	G	84	Confident	88	Confident	5 Å²	5	38.5 Å²	38.5	5%	0.052	21%	0.213	C	C	.	.	S	Bend	trans	72.9	-145.7	-176.7	0	0	0	0	0	113.8	P1584 H1615 Y1663	P1584-G1667 PolarHBondContact O-N 3.07Å; H1615-G1667 PolarHBondContact CD2-O 2.61Å; H1615-G1667 WeakPolarHBondContact NE2-CA 3.01Å; H1615-G1667 PolarHBondContact NE2-N 3.22Å; H1615-G1667 PolarHBondContact NE2-O 3Å; Y1663-G1667 PolarHBondContact OH-O 3.34Å
1668	G	84.7	Confident	87.9	Confident	7 Å²	7	35 Å²	35	7%	0.072	20%	0.196	C	C	.	.			trans	77.4	-170.5	-174.5	0	0	0	0	0	113.5	I1586	I1586-G1668 WeakPolarHBondContact CD1-O 3.33Å
1669	N	87	Confident	87.7	Confident	30 Å²	30	34.7 Å²	34.7	16%	0.16	20%	0.195	C	C	.	.			trans	-144.8	-173.8	-178.4	67.1	25.3	0	0	0	111.5	W1613 V1635 P1636 N1671 N1672	W1613-N1669 WeakPolarHBondContact CH2-O 3.34Å; W1613-N1669 VanDerWaalsContact CZ2-C 3.48Å; V1635-N1669 HydrophobicContact CG2-CB 4.23Å; P1636-N1669 PolarHBondContact O-ND2 2.95Å; P1636-N1669 PolarHBondContact O-OD1 3.06Å; N1669-N1671 VanDerWaalsContact C-N 3.3Å; N1669-N1671 PolarHBondContact O-N 3.33Å; N1669-N1671 PolarHBondContact OD1-N 3.15Å; N1669-N1672 WeakPolarHBondContact O-CB 3.23Å
1670	Q	86.5	Confident	87.6	Confident	20 Å²	20	36.4 Å²	36.4	9%	0.093	20%	0.199	C	C	.	.	S	Bend	trans	-71.4	-15.5	-167.5	-66.2	144.6	-74.8	0	0	115.8	W1613 G1628 A1629 P1632 V1635 N1672	W1613-Q1670 HydrophobicContact CB-CG 3.52Å; W1613-Q1670 HydrophobicContact CD2-CB 4.24Å; W1613-Q1670 HydrophobicContact CD2-CG 3.17Å; W1613-Q1670 HydrophobicContact CE3-CB 4.19Å; W1613-Q1670 HydrophobicContact CE3-CG 3.57Å; W1613-Q1670 HydrophobicContact CG-CB 4.49Å; W1613-Q1670 HydrophobicContact CG-CG 3.11Å; W1613-Q1670 HydrophobicContact CZ2-CG 4.48Å; W1613-Q1670 HydrophobicContact CZ3-CG 4.35Å; G1628-Q1670 VanDerWaalsContact CA-CD 3.48Å; G1628-Q1670 VanDerWaalsContact CA-NE2 3.33Å; A1629-Q1670 VanDerWaalsContact N-NE2 3.17Å; A1629-Q1670 PolarHBondContact O-NE2 3.08Å; P1632-Q1670 HydrophobicContact CB-CB 3.84Å; P1632-Q1670 HydrophobicContact CG-CB 4.18Å; V1635-Q1670 HydrophobicContact CG2-CB 4.42Å; Q1670-N1672 PolarHBondContact O-N 2.79Å
1671	N	89.7	Confident	87.1	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.208	C	C	.	.			trans	-79.7	57.4	175.3	-159.3	-3.8	0	0	0	109.5	P1632 V1635 Y1650 Y1651 N1669 F1673	P1632-N1671 WeakPolarHBondContact O-CB 3.36Å; V1635-N1671 HydrophobicContact CG2-CB 3.78Å; V1635-N1671 WeakPolarHBondContact O-CB 3.44Å; V1635-N1671 PolarHBondContact O-ND2 3.15Å; Y1650-N1671 WeakPolarHBondContact CA-OD1 3.19Å; Y1650-N1671 VanDerWaalsContact CB-O 3.29Å; Y1650-N1671 WeakPolarHBondContact CB-O 3.03Å; Y1650-N1671 WeakPolarHBondContact CB-OD1 3.38Å; Y1651-N1671 PolarHBondContact N-OD1 3.07Å; Y1651-N1671 PolarHBondContact O-ND2 2.94Å; N1669-N1671 VanDerWaalsContact C-N 3.3Å; N1669-N1671 PolarHBondContact O-N 3.33Å; N1669-N1671 PolarHBondContact OD1-N 3.15Å; N1671-F1673 WeakPolarHBondContact OD1-CE2 3.06Å
1672	N	90.5	Very high	86.5	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.037	22%	0.222	C	C	.	.			trans	-150.3	79.5	-166	-175.8	-11.9	0	0	0	108.9	R1648 F1661 Y1663 N1669 Q1670	R1648-N1672 WeakPolarHBondContact CB-OD1 3.48Å; R1648-N1672 VanDerWaalsContact CD-OD1 3.26Å; R1648-N1672 WeakPolarHBondContact CD-OD1 3.36Å; R1648-N1672 WeakPolarHBondContact CG-OD1 3.47Å; R1648-N1672 PolarHBondContact NH1-ND2 2.03Å; R1648-N1672 PolarHBondContact NH1-OD1 3.42Å; F1661-N1672 HydrophobicContact CZ-CB 4.1Å; Y1663-N1672 WeakPolarHBondContact CD2-ND2 3.42Å; Y1663-N1672 WeakPolarHBondContact CE2-ND2 3.22Å; N1669-N1672 WeakPolarHBondContact O-CB 3.23Å; Q1670-N1672 PolarHBondContact O-N 2.79Å
1673	F	88.5	Confident	86.1	Confident	12 Å²	12	37.3 Å²	37.3	5%	0.053	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-94.7	151	-177.1	-57.6	-82.9	0	0	0	110.6	P1632 R1648 W1649 N1671 S1678 C1679 A1682	P1632-F1673 HydrophobicContact CB-CZ 4Å; R1648-F1673 CarbonylContact C-O 3.58Å; R1648-F1673 VanDerWaalsContact CA-O 3.3Å; R1648-F1673 WeakPolarHBondContact CA-O 3.39Å; R1648-F1673 WeakPolarHBondContact CB-O 3.48Å; R1648-F1673 WeakPolarHBondContact CD-O 3.46Å; W1649-F1673 HydrophobicContact CB-CB 4.28Å; W1649-F1673 PolarHBondContact N-O 2.64Å; W1649-F1673 WeakPolarHBondContact O-CB 3.18Å; W1649-F1673 WeakPolarHBondContact O-CD2 3.35Å; W1649-F1673 PolarHBondContact O-N 3.48Å; N1671-F1673 WeakPolarHBondContact OD1-CE2 3.06Å; F1673-S1678 VanDerWaalsContact CD1-O 3.28Å; F1673-S1678 WeakPolarHBondContact CD1-O 3.44Å; F1673-C1679 HydrophobicContact CB-CB 3.75Å; F1673-C1679 HydrophobicContact CD1-CB 4.33Å; F1673-C1679 HydrophobicContact CD2-CB 3.58Å; F1673-C1679 HydrophobicContact CE2-CB 4.27Å; F1673-C1679 HydrophobicContact CG-CB 3.62Å; F1673-A1682 HydrophobicContact CD1-CB 4.29Å; F1673-A1682 HydrophobicContact CE1-CB 3.45Å; F1673-A1682 VanDerWaalsContact CE1-CB 3.45Å; F1673-A1682 HydrophobicContact CZ-CB 3.96Å
1674	L	85.5	Confident	85.2	Confident	67 Å²	67	42 Å²	42	35%	0.351	23%	0.231	S	C	.	.	S	Bend	trans	-75.7	-33.1	-177.1	-89.1	79.4	0	0	0	112.5	A1602 I1616	A1602-L1674 HydrophobicContact CB-CD1 3.62Å; A1602-L1674 HydrophobicContact CB-CD2 3.38Å; A1602-L1674 HydrophobicContact CB-CG 4.14Å; I1616-L1674 HydrophobicContact CG1-CD1 4.13Å
1675	N	88.9	Confident	84	Confident	77 Å²	77	42 Å²	42	41%	0.412	24%	0.242	S	C	.	.	S	Bend	trans	-147.1	161.8	-177	59.7	55.6	0	0	0	109.8	W1649 V1677 S1678 C1679	W1649-N1675 VanDerWaalsContact CD1-C 3.49Å; N1675-V1677 VanDerWaalsContact C-N 3.28Å; N1675-V1677 PolarHBondContact O-N 3.35Å; N1675-V1677 PolarHBondContact OD1-N 3.28Å; N1675-S1678 PolarHBondContact N-OG 2.62Å; N1675-S1678 PolarHBondContact O-N 3.18Å; N1675-S1678 PolarHBondContact O-OG 3.36Å; N1675-S1678 WeakPolarHBondContact OD1-CB 2.98Å; N1675-S1678 PolarHBondContact OD1-N 3.12Å; N1675-S1678 PolarHBondContact OD1-OG 3.22Å; N1675-S1678 VanDerWaalsContact OD1-OG 3.09Å; N1675-C1679 PolarHBondContact O-N 2.9Å
1676	K	87.4	Confident	82.1	Confident	79 Å²	79	53.9 Å²	53.9	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-53.9	-44.8	-178.8	-169	176.9	179.2	-85.2	0	112.3	W1649 C1658 S1678 C1679 E1680	W1649-K1676 HydrophobicContact CD2-CB 3.66Å; W1649-K1676 HydrophobicContact CD2-CG 4.26Å; W1649-K1676 HydrophobicContact CE3-CB 3.57Å; W1649-K1676 HydrophobicContact CE3-CD 4.17Å; W1649-K1676 HydrophobicContact CE3-CG 3.63Å; W1649-K1676 HydrophobicContact CG-CB 4.39Å; W1649-K1676 HydrophobicContact CH2-CB 3.89Å; W1649-K1676 HydrophobicContact CH2-CD 3.75Å; W1649-K1676 HydrophobicContact CH2-CG 4.05Å; W1649-K1676 HydrophobicContact CZ2-CB 3.96Å; W1649-K1676 HydrophobicContact CZ3-CB 3.68Å; W1649-K1676 HydrophobicContact CZ3-CD 3.5Å; W1649-K1676 HydrophobicContact CZ3-CG 3.51Å; C1658-K1676 HydrophobicContact CB-CG 4.18Å; K1676-S1678 PolarHBondContact O-N 3.5Å; K1676-C1679 WeakPolarHBondContact O-CB 3.27Å; K1676-C1679 PolarHBondContact O-N 2.99Å; K1676-C1679 VanDerWaalsContact O-N 3.09Å; K1676-E1680 WeakPolarHBondContact CE-OE1 3.37Å; K1676-E1680 HydrophobicContact CG-CG 4.41Å; K1676-E1680 IonicContact NZ-OE1 2.91Å; K1676-E1680 PolarHBondContact NZ-OE1 3.48Å; K1676-E1680 IonicContact NZ-OE2 2.73Å; K1676-E1680 PolarHBondContact NZ-OE2 3.07Å; K1676-E1680 WeakPolarHBondContact O-CG 3.47Å; K1676-E1680 PolarHBondContact O-N 3.38Å
1677	V	85.5	Confident	81.9	Confident	84 Å²	84	54.5 Å²	54.5	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-57.9	-51.6	-179	-178.5	0	0	0	0	111	N1675 C1679 E1680 E1681	N1675-V1677 VanDerWaalsContact C-N 3.28Å; N1675-V1677 PolarHBondContact O-N 3.35Å; N1675-V1677 PolarHBondContact OD1-N 3.28Å; V1677-C1679 PolarHBondContact O-N 3.27Å; V1677-C1679 VanDerWaalsContact O-N 3.12Å; V1677-E1680 PolarHBondContact O-N 3.45Å; V1677-E1681 HydrophobicContact CG1-CG 4.15Å; V1677-E1681 WeakPolarHBondContact O-CB 3.3Å; V1677-E1681 WeakPolarHBondContact O-CG 3Å; V1677-E1681 PolarHBondContact O-N 2.82Å
1678	S	83.9	Confident	81.8	Confident	20 Å²	20	57.1 Å²	57.1	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-19.1	178.4	66.2	0	0	0	0	114.6	F1673 N1675 K1676 A1682	F1673-S1678 VanDerWaalsContact CD1-O 3.28Å; F1673-S1678 WeakPolarHBondContact CD1-O 3.44Å; N1675-S1678 PolarHBondContact N-OG 2.62Å; N1675-S1678 PolarHBondContact O-N 3.18Å; N1675-S1678 PolarHBondContact O-OG 3.36Å; N1675-S1678 WeakPolarHBondContact OD1-CB 2.98Å; N1675-S1678 PolarHBondContact OD1-N 3.12Å; N1675-S1678 PolarHBondContact OD1-OG 3.22Å; N1675-S1678 VanDerWaalsContact OD1-OG 3.09Å; K1676-S1678 PolarHBondContact O-N 3.5Å; S1678-A1682 VanDerWaalsContact O-CB 3.31Å; S1678-A1682 WeakPolarHBondContact O-CB 3.43Å
1679	C	88.9	Confident	81.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-81.2	-43.5	170.4	173.5	0	0	0	0	110.9	W1649 Y1650 Y1651 C1658 F1673 N1675 K1676 V1677 A1682 C1683	W1649-C1679 HydrophobicContact CB-CB 4.29Å; Y1650-C1679 VanDerWaalsContact C-SG 3.55Å; Y1651-C1679 PolarHBondContact N-SG 3.4Å; Y1651-C1679 VanDerWaalsContact N-SG 3.45Å; C1658-C1679 HydrophobicContact CB-CB 3.69Å; C1658-C1679 WeakPolarHBondContact CB-SG 3.24Å; C1658-C1679 WeakPolarHBondContact SG-CB 3.37Å; C1658-C1679 CovalentContact SG-SG 2.03Å; C1658-C1679 PolarHBondContact SG-SG 2.95Å; F1673-C1679 HydrophobicContact CB-CB 3.75Å; F1673-C1679 HydrophobicContact CD1-CB 4.33Å; F1673-C1679 HydrophobicContact CD2-CB 3.58Å; F1673-C1679 HydrophobicContact CE2-CB 4.27Å; F1673-C1679 HydrophobicContact CG-CB 3.62Å; N1675-C1679 PolarHBondContact O-N 2.9Å; K1676-C1679 WeakPolarHBondContact O-CB 3.27Å; K1676-C1679 PolarHBondContact O-N 2.99Å; K1676-C1679 VanDerWaalsContact O-N 3.09Å; V1677-C1679 PolarHBondContact O-N 3.27Å; V1677-C1679 VanDerWaalsContact O-N 3.12Å; C1679-A1682 PolarHBondContact O-N 3.23Å; C1679-C1683 VanDerWaalsContact O-CB 3.27Å; C1679-C1683 WeakPolarHBondContact O-CB 3.14Å; C1679-C1683 PolarHBondContact O-N 2.58Å
1680	E	86.5	Confident	81.3	Confident	82 Å²	82	61.6 Å²	61.6	38%	0.383	33%	0.334	S	S	.	.	H	α-helix	trans	-69.9	-33.7	-180	-66.8	179.8	137	0	0	112.1	C1658 K1676 V1677 C1683	C1658-E1680 HydrophobicContact CB-CG 3.8Å; C1658-E1680 PolarHBondContact SG-N 2.91Å; C1658-E1680 VanDerWaalsContact SG-N 3.36Å; K1676-E1680 WeakPolarHBondContact CE-OE1 3.37Å; K1676-E1680 HydrophobicContact CG-CG 4.41Å; K1676-E1680 IonicContact NZ-OE1 2.91Å; K1676-E1680 PolarHBondContact NZ-OE1 3.48Å; K1676-E1680 IonicContact NZ-OE2 2.73Å; K1676-E1680 PolarHBondContact NZ-OE2 3.07Å; K1676-E1680 WeakPolarHBondContact O-CG 3.47Å; K1676-E1680 PolarHBondContact O-N 3.38Å; V1677-E1680 PolarHBondContact O-N 3.45Å; E1680-C1683 CarbonylContact O-C 3.59Å
1681	E	82.4	Confident	81	Confident	147 Å²	147	64.2 Å²	64.2	69%	0.687	35%	0.349	S	S	*	.	H	α-helix	trans	-67.2	-42.7	172.2	-72	171.4	157.5	0	0	112.5	V1677	V1677-E1681 HydrophobicContact CG1-CG 4.15Å; V1677-E1681 WeakPolarHBondContact O-CB 3.3Å; V1677-E1681 WeakPolarHBondContact O-CG 3Å; V1677-E1681 PolarHBondContact O-N 2.82Å
1682	A	79.3	Confident	80.4	Confident	50 Å²	50	68.2 Å²	68.2	41%	0.413	37%	0.37	S	S	.	.	H	α-helix	trans	-78.9	-30.2	-178.8	0	0	0	0	0	113	C1633 F1673 S1678 C1679 P1684	C1633-A1682 PolarHBondContact SG-O 2.95Å; C1633-A1682 VanDerWaalsContact SG-O 3.38Å; F1673-A1682 HydrophobicContact CD1-CB 4.29Å; F1673-A1682 HydrophobicContact CE1-CB 3.45Å; F1673-A1682 VanDerWaalsContact CE1-CB 3.45Å; F1673-A1682 HydrophobicContact CZ-CB 3.96Å; S1678-A1682 VanDerWaalsContact O-CB 3.31Å; S1678-A1682 WeakPolarHBondContact O-CB 3.43Å; C1679-A1682 PolarHBondContact O-N 3.23Å; A1682-P1684 WeakPolarHBondContact O-CD 3.37Å
1683	C	84.2	Confident	79.7	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.02	39%	0.394	C	S	.	.	S	Bend	trans	-124.3	77	-174.2	-58	0	0	0	0	110.3	C1633 Y1651 C1679 E1680 G1685	C1633-C1683 VanDerWaalsContact CA-SG 3.58Å; C1633-C1683 HydrophobicContact CB-CB 3.78Å; C1633-C1683 WeakPolarHBondContact CB-SG 3.34Å; C1633-C1683 WeakPolarHBondContact SG-CA 3.25Å; C1633-C1683 WeakPolarHBondContact SG-CB 3.42Å; C1633-C1683 CovalentContact SG-SG 2.03Å; C1633-C1683 PolarHBondContact SG-SG 3.37Å; Y1651-C1683 HydrophobicContact CD1-CB 3.95Å; Y1651-C1683 HydrophobicContact CD2-CB 3.27Å; Y1651-C1683 HydrophobicContact CE1-CB 4.3Å; Y1651-C1683 HydrophobicContact CE2-CB 3.68Å; Y1651-C1683 VanDerWaalsContact CE2-O 3.24Å; Y1651-C1683 WeakPolarHBondContact CE2-O 3.04Å; Y1651-C1683 HydrophobicContact CG-CB 3.39Å; C1679-C1683 VanDerWaalsContact O-CB 3.27Å; C1679-C1683 WeakPolarHBondContact O-CB 3.14Å; C1679-C1683 PolarHBondContact O-N 2.58Å; E1680-C1683 CarbonylContact O-C 3.59Å; C1683-G1685 PolarHBondContact O-N 2.89Å
1684	P	70.6	Confident	79	Confident	98 Å²	98	77.2 Å²	77.2	64%	0.636	42%	0.42	S	S	*	.			trans	-58.1	122.7	-173.7	19.8	-31.8	0	0	0	112.4	A1682	A1682-P1684 WeakPolarHBondContact O-CD 3.37Å
1685	G	62.9	Low	78.4	Confident	47 Å²	47	78.1 Å²	78.1	49%	0.485	43%	0.426	S	S	.	.			trans	-60.8	162.3	157.2	0	0	0	0	0	110.9	C1683	C1683-G1685 PolarHBondContact O-N 2.89Å
1686	K	40.7	Very low	77.5	Confident	250 Å²	250	78.2 Å²	78.2	100%	1.087	43%	0.428	S	S	*	.			trans	-74.9	0	-171.6	-156.9	-165.9	-177.8	-168.4	0	113.1

Retrieved 1,686 of 1,686 residues in 4657 ms (Link to these results)

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