A0A3Q0KQG7_SCHMA Loading...

GTPase-activating Rap/Ran-GAP domain-like protein 3

AlphaFold DB , UniProt , Accession A0A3Q0KQG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,405 aa.

						>A0A3Q0KQG7_SCHMA|A0A3Q0KQG7
MQQSISTSFDSDDHNIGMNIRSVDSNNNNAIINDNIIRKIKVTNTTTGYDVIVNHNLKRSCNSIKKIFHRRIISTSFSDTTNNNVHWHKLSDDDDGDGSSVITSRLTSNKSSYISFENLSGNSTIPLTSLVTNEMMTTTISTTMSFGKMTSDVKIRNKPTSTDLLNVKRKLQRQWATCSSLYNNNNSNNIYQTTNSTGLYDINSITSNRRSGITERKNKSRWLFLWRQSVDRGIDSTTNWSNKTRVDMRRRLFRKLGYKSANEMYLSENTSLTSESNGYINNAGRFRSEVNVVPNRKIKETSPNYLNSISFDLSLKVKDSPISLSKNHLSVENFENTNDHDDDDDDSVKNYDCLSISDELRSNEGVLNLHPSGFSDTQLIDHFRDRLLTKSSRTQQSQRSLQQSSYETGLNQLYSPEIPPTSTIQATTQTFGTDNNVTNFDDEYFMFDHDPHSIYYNNSGMNFKSTTTPLHLENPERETRWYFKYFLGKYHQLHCGYLTERDPFLLAVVKDDIQTYGISQYRAILWRKTGSQKLCISYNPTNALTAKKVLNFFDIHRVEKGPRGILNFEAQKDALTLEEQEGSVNFKFGVLYCVEGQTSDQEMYNNEKGSEQFERFIDLLGERIGLKSWDRFKGGLDTKSNTTGIDSVYTIYEGHEIMFHISTLLPYSTENRQQIERKRHIGNDIVNIIFVDGCPPGQQPSWTPSMMRTHFTHIFAVVTYDNEANVYRLNIFAEESVPFFGPPLHNPPEFKNSQEFREFLLVKLINGEKAAFRSPVFAQKRQRTIEMLLNAICTTYTNEANNGAIYRRSFSDVVVDSFNGVTTSKEQSRNDAHIRYGQMLKLNTIIRGDAPTSSITSGQSRKNLWQPKLIYKCTQSEIICGDVWDEQLIVSTEQGTFGFKDREPPVLLIDKNVEVKQLEVAQFELLIIRYDKGREGKIAVIQLNCLTSTKPIDRSQVKKLSLEKTKGAQLFAISKSPSHPLRLAAAVNRKIVIFQWHLFTGRSLSSWNQLAQPDPVENFQIIREVHMVDSIQTLSFVEGIPGGKLCVGYRNQFILLDERSKETTQLFRTEGSRNQVVSALELWADDEHELLLCFTRTCHFQKLTLITPGISSCRQPIPTSSPIDSNFNWSMKSSMEINTNKSSPALSQVQGSSSIDSPSSTTSGSSMARSCSPEPSFNSMNLNLTCEEKVKTSDCDFAWTFEPQQVAVCFPYIFGFNPSAIEIRLLINGSLVHTMLVTDCRLITVKGDIYFTSTSETLDYKTSPTINNNAVTSNTSNDNNTKQNEIKSVIQAVDHLNLDGNHQTNDSLIDPEICETHKNLLPSLEQDHNELQSNSSSYSSNMNSPTGIKILPLTSMNNTYSSSIVSSLNSTNNDLNQSQTNFIYKIPIYSSNKQINNNNNNNGNR
					

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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	26.3	Very low	28.9	Very low	211 Å²	211	137.1 Å²	137.1	100%	1.039	75%	0.75	S	S	*	*				0	33.1	0	-49	176.5	-173.4	0	0	114.5
2	Q	24	Very low	29.1	Very low	160 Å²	160	138.5 Å²	138.5	75%	0.748	76%	0.756	S	S	*	*			cis	47	151.6	2.7	-39.3	101.8	-32	0	0	117.2
3	Q	24.3	Very low	29.4	Very low	181 Å²	181	138.6 Å²	138.6	85%	0.846	76%	0.755	S	S	*	*			trans	68.4	143.4	166.7	-67.1	151.6	-30	0	0	114.2
4	S	31.3	Very low	29.8	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	76%	0.756	S	S	*	*			cis	-161.1	167.4	6.9	38.1	0	0	0	0	111.4
5	I	34.3	Very low	30	Very low	148 Å²	148	140 Å²	140	76%	0.759	75%	0.753	S	S	*	*			trans	68	110.8	160.1	-67.2	150.2	0	0	0	114.6
6	S	31.4	Very low	30	Very low	88 Å²	88	141.3 Å²	141.3	62%	0.615	76%	0.757	S	S	*	*			cis	91.6	100.9	36.7	82.5	0	0	0	0	115.5
7	T	27.5	Very low	30.1	Very low	123 Å²	123	137.4 Å²	137.4	76%	0.755	76%	0.758	S	S	*	*				51.8	134.2	129.8	58.8	0	0	0	0	122.4
8	S	28.1	Very low	30.2	Very low	90 Å²	90	139.6 Å²	139.6	63%	0.629	77%	0.765	S	S	*	*				105.1	149.1	128.3	73.3	0	0	0	0	121.7
9	F	30.6	Very low	30.1	Very low	176 Å²	176	139.5 Å²	139.5	77%	0.772	76%	0.763	S	S	*	*			trans	68.5	101.5	162.6	-56.3	-61.9	0	0	0	121.5
10	D	28.3	Very low	30.2	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	77%	0.77	S	S	*	*				40.8	156.3	108.3	-62.5	-49.9	0	0	0	123.7
11	S	32	Very low	30.1	Very low	97 Å²	97	145.2 Å²	145.2	68%	0.678	77%	0.774	S	S	*	*			trans	72.2	97.3	159.2	50	0	0	0	0	120.6
12	D	31	Very low	30.3	Very low	154 Å²	154	140.6 Å²	140.6	82%	0.824	76%	0.762	S	S	*	*				68.9	164.1	117	-57.2	-34.5	0	0	0	123.9
13	D	33.4	Very low	30.6	Very low	140 Å²	140	138.9 Å²	138.9	75%	0.749	76%	0.762	S	S	*	*			trans	67.5	92.4	163.1	-72.5	-5.4	0	0	0	123.1
14	H	35	Very low	30.8	Very low	164 Å²	164	137 Å²	137	76%	0.759	76%	0.758	S	S	*	*				69.6	102.1	109	-88.3	31.5	0	0	0	121.2
15	N	32.3	Very low	30.9	Very low	134 Å²	134	138.1 Å²	138.1	72%	0.717	77%	0.766	S	S	*	*				98.4	147.7	109.9	-136.2	-3.6	0	0	0	120.8
16	I	30.8	Very low	30.7	Very low	160 Å²	160	138.7 Å²	138.7	82%	0.821	77%	0.77	S	S	*	*			trans	69.3	130.5	163.2	-57.1	158.4	0	0	0	118.1
17	G	31	Very low	30.8	Very low	75 Å²	75	142 Å²	142	77%	0.773	78%	0.781	S	S	*	*			trans	159.8	84.6	168.9	0	0	0	0	0	114.5
18	M	31.2	Very low	30.9	Very low	177 Å²	177	142.6 Å²	142.6	87%	0.872	78%	0.78	S	S	*	*			trans	-76.7	150.9	-174.7	-76.2	-170.1	174.8	0	0	115.5
19	N	28.9	Very low	31.2	Very low	138 Å²	138	146 Å²	146	74%	0.738	79%	0.791	S	S	*	*			trans	30	129.1	140	-62	-51.2	0	0	0	120.6
20	I	32	Very low	31.2	Very low	174 Å²	174	140.6 Å²	140.6	89%	0.892	78%	0.779	S	S	*	*				-146.5	156.3	123.4	-104.3	151.4	0	0	0	109
21	R	28	Very low	31.2	Very low	226 Å²	226	141.4 Å²	141.4	85%	0.853	78%	0.781	S	S	*	*			trans	-100.8	179.1	-174.4	-70.8	176.7	168.4	172.5	-5.2	112
22	S	30.2	Very low	31.3	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.784	S	S	*	*			trans	84.9	147.9	157.3	84.6	0	0	0	0	116
23	V	31.4	Very low	31.2	Very low	124 Å²	124	142.9 Å²	142.9	75%	0.752	78%	0.78	S	S	*	*			cis	-151.2	169.9	-13.2	111.7	0	0	0	0	109.7
24	D	29	Very low	31.3	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	78%	0.78	S	S	*	*			trans	-51.5	150	-179.1	-42.4	-88	0	0	0	115.4
25	S	33.3	Very low	31	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	78%	0.779	S	S	*	*			trans	-164.2	130.2	134.1	17.1	0	0	0	0	111.8
26	N	29.2	Very low	30.9	Very low	159 Å²	159	141.2 Å²	141.2	85%	0.85	78%	0.776	S	S	*	*			trans	-69.9	149.7	167.9	-61.6	-47.5	0	0	0	110.1
27	N	34.1	Very low	31	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	77%	0.773	S	S	*	*				-153	146.9	129	-129.6	-27.6	0	0	0	113.6
28	N	29.1	Very low	30.9	Very low	135 Å²	135	147 Å²	147	72%	0.722	77%	0.773	S	S	*	*			trans	-81	149.7	173.6	-64.8	-62.8	0	0	0	110.4
29	N	33.7	Very low	30.9	Very low	162 Å²	162	148 Å²	148	87%	0.866	77%	0.773	S	S	*	*			trans	164.4	156.7	140.6	-85.2	-24.3	0	0	0	111
30	A	31.8	Very low	30.9	Very low	63 Å²	63	148.7 Å²	148.7	52%	0.521	78%	0.775	S	S	.	*			cis	-173.7	122.5	-30.1	0	0	0	0	0	110.8
31	I	28.7	Very low	30.7	Very low	156 Å²	156	149.3 Å²	149.3	80%	0.8	77%	0.771	S	S	*	*			trans	67.9	172.4	144.9	-50.7	163.3	0	0	0	116.2
32	I	32.4	Very low	30.6	Very low	144 Å²	144	144.1 Å²	144.1	74%	0.738	77%	0.765	S	S	*	*			trans	79.2	101.1	170.2	-46.3	179.8	0	0	0	113.6
33	N	30.3	Very low	30.6	Very low	138 Å²	138	143.9 Å²	143.9	74%	0.738	76%	0.758	S	S	*	*				99.1	167.2	53.5	-93.1	-10.4	0	0	0	113.7
34	D	34.4	Very low	30.4	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	76%	0.758	S	S	*	*			trans	68.1	92.3	171.8	-56.5	-12.8	0	0	0	115.3
35	N	30.1	Very low	30.4	Very low	137 Å²	137	144.2 Å²	144.2	73%	0.733	76%	0.761	S	S	*	*			cis	80.2	130.7	21.6	-150.2	4.5	0	0	0	115.8
36	I	28.5	Very low	30.2	Very low	126 Å²	126	143.4 Å²	143.4	65%	0.646	75%	0.751	S	S	*	*			trans	78.4	157.4	166.6	-43.3	-178	0	0	0	118
37	I	32.9	Very low	30.2	Very low	149 Å²	149	142.5 Å²	142.5	76%	0.764	75%	0.751	S	S	*	*			trans	92.1	80.4	172.8	-49.4	-176.9	0	0	0	114.3
38	R	29.6	Very low	29.9	Very low	207 Å²	207	137.6 Å²	137.6	78%	0.781	74%	0.739	S	S	*	*				70.8	110.8	71.8	-66.1	175.9	176.7	162.8	-1.7	115.9
39	K	31.4	Very low	29.9	Very low	199 Å²	199	141.6 Å²	141.6	87%	0.865	75%	0.745	S	S	*	*				172.2	104.1	125.4	-93.6	159.3	-176.4	177.4	0	107.3
40	I	28.1	Very low	29.5	Very low	152 Å²	152	140.3 Å²	140.3	78%	0.779	74%	0.738	S	S	*	*				43.1	102.6	77.7	-53.1	179.5	0	0	0	111.7
41	K	27.5	Very low	29.2	Very low	187 Å²	187	143.2 Å²	143.2	81%	0.813	75%	0.749	S	S	*	*			trans	-140.9	85.4	146.2	-159.3	176.5	-174.2	-175	0	109.5
42	V	27.8	Very low	29.2	Very low	118 Å²	118	142.9 Å²	142.9	72%	0.715	75%	0.747	S	S	*	*			trans	-75.9	129	162.9	174	0	0	0	0	107.5
43	T	29.6	Very low	28.8	Very low	108 Å²	108	141.3 Å²	141.3	66%	0.663	74%	0.744	S	S	*	*			trans	-141.1	109.7	164.1	40.1	0	0	0	0	108.9
44	N	26.3	Very low	28.8	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	75%	0.749	S	S	*	*			trans	-77.9	128.9	169.9	-75.4	-18.2	0	0	0	110.2
45	T	29.8	Very low	28.3	Very low	133 Å²	133	143.1 Å²	143.1	82%	0.816	75%	0.748	S	S	*	*			trans	-152.7	100.2	155.6	47.3	0	0	0	0	104.8
46	T	29.8	Very low	28.2	Very low	101 Å²	101	143.5 Å²	143.5	62%	0.62	75%	0.751	S	S	*	*			cis	69.6	100.9	36.1	-32.2	0	0	0	0	112.3
47	T	28.9	Very low	28.3	Very low	140 Å²	140	145.7 Å²	145.7	86%	0.859	76%	0.763	S	S	*	*			trans	54.7	129.2	151.6	56.5	0	0	0	0	121.2
48	G	27	Very low	27.9	Very low	56 Å²	56	147.7 Å²	147.7	58%	0.577	77%	0.766	S	S	*	*			trans	140.8	137.9	145	0	0	0	0	0	115.2
49	Y	28.4	Very low	27.8	Very low	219 Å²	219	146.4 Å²	146.4	86%	0.859	76%	0.761	S	S	*	*			trans	67.5	136.3	162.4	-45.6	-76.3	0	0	0	117
50	D	27.3	Very low	27.7	Very low	134 Å²	134	142.5 Å²	142.5	72%	0.717	76%	0.759	S	S	*	*			cis	-153.5	162.7	-11.1	-128.5	-19.9	0	0	0	113.7
51	V	24.2	Very low	27.7	Very low	124 Å²	124	141.2 Å²	141.2	75%	0.752	76%	0.762	S	S	*	*			trans	-102.9	100.6	178.2	176	0	0	0	0	110.9	V53	V51-V53 HydrophobicContact CG1-CG2 4.04Å
52	I	28.8	Very low	27.7	Very low	149 Å²	149	139.7 Å²	139.7	76%	0.764	76%	0.763	S	S	*	*			trans	-136.1	92.9	165.1	-56.2	180	0	0	0	106.5
53	V	24.6	Very low	27.8	Very low	112 Å²	112	139.7 Å²	139.7	68%	0.679	77%	0.767	S	S	*	*				53.5	86	76.7	-170.4	0	0	0	0	112.6	V51	V51-V53 HydrophobicContact CG1-CG2 4.04Å
54	N	29.2	Very low	27.8	Very low	155 Å²	155	141.8 Å²	141.8	83%	0.829	77%	0.773	S	S	*	*				-149.6	155.6	126.7	-134.5	-45.7	0	0	0	112.3
55	H	25.4	Very low	27.7	Very low	160 Å²	160	145.2 Å²	145.2	74%	0.741	78%	0.781	S	S	*	*			trans	-124.8	100.3	-157.2	176.9	-72.9	0	0	0	111.1
56	N	26.7	Very low	27.6	Very low	146 Å²	146	148 Å²	148	78%	0.781	78%	0.782	S	S	*	*			trans	-137.1	144.4	-178.8	-106	-39.3	0	0	0	114.7
57	L	31	Very low	27.5	Very low	172 Å²	172	151.1 Å²	151.1	90%	0.901	79%	0.794	S	S	*	*			trans	59.9	72	164.7	-65.5	169.1	0	0	0	118.6
58	K	25.2	Very low	27.3	Very low	191 Å²	191	154.2 Å²	154.2	83%	0.83	80%	0.795	S	S	*	*			trans	-101.3	102.3	161.8	174.7	-176.5	-178.6	175.6	0	110.4
59	R	26.9	Very low	27.4	Very low	180 Å²	180	160.1 Å²	160.1	68%	0.679	81%	0.807	S	S	*	*			trans	-166.6	141.7	166.5	-114.3	168.6	-175.4	154.3	5.8	114.3	K1318 N1319	R59-K1318 PolarHBondContact NH2-O 3.05Å; R59-N1319 PolarHBondContact NH2-OD1 3.28Å
60	S	29.8	Very low	27.3	Very low	117 Å²	117	161.2 Å²	161.2	82%	0.818	81%	0.81	S	S	*	*			trans	64.5	145.1	167.9	-66.7	0	0	0	0	120.3
61	C	28.2	Very low	27.2	Very low	124 Å²	124	165.6 Å²	165.6	84%	0.838	82%	0.816	S	S	*	*			cis	-158.3	137.9	-40.5	-127.7	0	0	0	0	113.5
62	N	26.3	Very low	27.3	Very low	156 Å²	156	166.9 Å²	166.9	83%	0.834	82%	0.818	S	S	*	*			trans	-58.8	142	-176.7	-67.5	-60.5	0	0	0	117.4
63	S	31.4	Very low	27.2	Very low	117 Å²	117	165.3 Å²	165.3	82%	0.818	81%	0.81	S	S	*	*			trans	-172.8	123.5	141.5	-85.8	0	0	0	0	108.7
64	I	28.8	Very low	27.1	Very low	152 Å²	152	164.3 Å²	164.3	78%	0.779	81%	0.808	S	S	*	*			cis	-135.2	140	4.5	-76.3	159.2	0	0	0	109.6
65	K	24	Very low	27	Very low	211 Å²	211	162 Å²	162	92%	0.917	80%	0.799	S	S	*	*			trans	-117.7	112.9	159	-115.2	-172.6	179.8	-176.9	0	108.5
66	K	27.8	Very low	26.9	Very low	191 Å²	191	157.3 Å²	157.3	83%	0.83	79%	0.785	S	S	*	*			trans	-149.7	154.8	163.1	-85.3	-162.6	175.4	-177.4	0	109.1
67	I	28.1	Very low	26.8	Very low	168 Å²	168	157.3 Å²	157.3	86%	0.862	78%	0.778	S	S	*	*			trans	66	91.2	-178	-48.3	179.4	0	0	0	113.1
68	F	25.3	Very low	26.6	Very low	205 Å²	205	151.7 Å²	151.7	90%	0.899	75%	0.753	S	S	*	*			trans	-148.4	78.1	163.5	-151.3	-75.6	0	0	0	108.8
69	H	27.2	Very low	26.6	Very low	179 Å²	179	146 Å²	146	83%	0.829	73%	0.732	S	S	*	*			trans	-170.5	140.5	165.5	-116.9	-78	0	0	0	111.7
70	R	27.4	Very low	26.8	Very low	243 Å²	243	143.3 Å²	143.3	92%	0.917	74%	0.736	S	S	*	*			trans	65.2	140.6	-175	-54.9	179	173.8	-171.5	-3.3	113.4
71	R	25.7	Very low	26.8	Very low	225 Å²	225	143.4 Å²	143.4	85%	0.849	73%	0.731	S	S	*	*			cis	-99.5	144.2	-1.6	-81.3	177.4	162.6	140.6	-6.3	112.3
72	I	25	Very low	26.8	Very low	152 Å²	152	143.2 Å²	143.2	78%	0.779	72%	0.722	S	S	*	*			trans	-91.2	123.6	150.3	-67.9	170.4	0	0	0	106.2
73	I	27.3	Very low	27	Very low	115 Å²	115	139.4 Å²	139.4	59%	0.59	70%	0.702	S	S	*	*			trans	-144	113.2	157.1	-59.6	-178.2	0	0	0	102.7	T75	I73-T75 HydrophobicContact CG2-CG2 3.77Å
74	S	23.5	Very low	26.8	Very low	92 Å²	92	139.7 Å²	139.7	64%	0.643	69%	0.694	S	S	*	*			cis	66	42.4	19.2	92.3	0	0	0	0	115.6
75	T	25.5	Very low	26.9	Very low	105 Å²	105	138.6 Å²	138.6	64%	0.644	69%	0.694	S	S	*	*			trans	-101.8	76.1	147	46.4	0	0	0	0	109.2	I73	I73-T75 HydrophobicContact CG2-CG2 3.77Å
76	S	23.5	Very low	27.1	Very low	63 Å²	63	135.2 Å²	135.2	44%	0.441	68%	0.681	S	S	.	*			trans	-44.2	140.4	136.3	49	0	0	0	0	110.6	N1268 N1269	S76-N1268 CarbonylContact C-O 3.49Å; S76-N1268 VanDerWaalsContact CA-O 3.31Å; S76-N1268 WeakPolarHBondContact CA-O 3.48Å; S76-N1268 WeakPolarHBondContact CB-O 3.23Å; S76-N1269 WeakPolarHBondContact CB-OD1 3.07Å
77	F	25.1	Very low	27.1	Very low	145 Å²	145	135 Å²	135	64%	0.636	68%	0.675	S	S	*	*			trans	-148.4	118.2	169.7	-128.2	-80	0	0	0	111	N1267 N1268 N1269	F77-N1267 CarbonylContact O-C 3.58Å; F77-N1267 WeakPolarHBondContact O-CA 3.46Å; F77-N1267 VanDerWaalsContact O-CB 3.32Å; F77-N1267 WeakPolarHBondContact O-CB 3.49Å; F77-N1268 CarbonylContact C-O 3.59Å; F77-N1268 PolarHBondContact N-O 3.39Å; F77-N1268 CarbonylContact O-C 3.57Å; F77-N1268 PolarHBondContact O-N 3.03Å; F77-N1269 PolarHBondContact O-N 3.45Å
78	S	27.1	Very low	27.2	Very low	55 Å²	55	133.8 Å²	133.8	39%	0.385	67%	0.666	S	S	.	*			trans	-74.8	158.4	173.6	-15.6	0	0	0	0	109.4	N1269	S78-N1269 WeakPolarHBondContact OG-CB 3.34Å; S78-N1269 PolarHBondContact OG-ND2 2.91Å; S78-N1269 VanDerWaalsContact OG-ND2 3.16Å
79	D	25.8	Very low	27.3	Very low	71 Å²	71	131.4 Å²	131.4	38%	0.38	66%	0.655	S	S	.	*			cis	61	68.6	29.5	-75.7	5.4	0	0	0	115.5	N1267 A1270	D79-N1267 HydrophobicContact CB-CB 4.22Å; D79-N1267 VanDerWaalsContact CG-CB 3.49Å; D79-N1267 PolarHBondContact N-ND2 3.46Å; D79-N1267 WeakPolarHBondContact OD1-CB 3.46Å; D79-N1267 PolarHBondContact OD1-ND2 2.9Å; D79-A1270 HydrophobicContact CB-CB 4.14Å; D79-A1270 VanDerWaalsContact OD2-CB 3.29Å; D79-A1270 WeakPolarHBondContact OD2-CB 3.4Å
80	T	30.9	Very low	27.4	Very low	124 Å²	124	129.8 Å²	129.8	76%	0.761	65%	0.652	S	S	*	*			trans	-172.4	111.2	134.1	36.6	0	0	0	0	106.8
81	T	28.3	Very low	27.5	Very low	119 Å²	119	122.3 Å²	122.3	73%	0.73	64%	0.636	S	S	*	*				62	102.7	69	68.9	0	0	0	0	115.7
82	N	28.6	Very low	28	Very low	119 Å²	119	117.4 Å²	117.4	64%	0.636	63%	0.627	S	S	*	*			trans	64.5	132.6	147.5	-73.4	24.9	0	0	0	123.2
83	N	31.3	Very low	28.6	Very low	77 Å²	77	116.9 Å²	116.9	41%	0.412	63%	0.626	S	S	.	*			trans	79.4	100	133.9	-69.2	6.5	0	0	0	122.4	D376	N83-D376 PolarHBondContact ND2-OD2 3.2Å; N83-D376 WeakPolarHBondContact OD1-CB 3.09Å; N83-D376 PolarHBondContact OD1-OD2 3.37Å
84	N	27.4	Very low	29	Very low	122 Å²	122	118.4 Å²	118.4	65%	0.652	64%	0.636	S	S	*	*				66.5	156.2	114.7	-71.5	-27.4	0	0	0	121.9
85	V	31.1	Very low	29.7	Very low	129 Å²	129	121.1 Å²	121.1	78%	0.782	64%	0.643	S	S	*	*			trans	72.6	73	167.6	-157.8	0	0	0	0	117
86	H	27.3	Very low	30.3	Very low	140 Å²	140	119.1 Å²	119.1	65%	0.648	64%	0.643	S	S	*	*				34.7	119	105.9	-143.6	-77.3	0	0	0	118
87	W	28.4	Very low	30.9	Very low	186 Å²	186	123 Å²	123	71%	0.705	66%	0.659	S	S	*	*				156.2	135.9	124.5	-84.4	116.8	0	0	0	113
88	H	29.1	Very low	31.5	Very low	143 Å²	143	119.4 Å²	119.4	66%	0.662	66%	0.663	S	S	*	*			trans	50.7	144.1	140.4	-81	-16.9	0	0	0	122
89	K	27.6	Very low	31.9	Very low	156 Å²	156	120.8 Å²	120.8	68%	0.678	67%	0.672	S	S	*	*			cis	-173.8	163.4	-6.8	-153.3	-175.6	175.5	-175.3	0	107.1
90	L	29.2	Very low	32.2	Very low	145 Å²	145	123.1 Å²	123.1	76%	0.759	69%	0.694	S	S	*	*			trans	66.9	154.9	164.9	-59.1	166.5	0	0	0	114.2
91	S	30.5	Very low	32.2	Very low	85 Å²	85	122.6 Å²	122.6	59%	0.594	69%	0.691	S	S	*	*			cis	-175.2	-178.1	-22	54.3	0	0	0	0	107
92	D	35.4	Very low	32.3	Very low	123 Å²	123	124.3 Å²	124.3	66%	0.658	69%	0.694	S	S	*	*			cis	-143.3	167.7	3.9	-62.7	-84.5	0	0	0	108.6
93	D	37.4	Very low	32.2	Very low	141 Å²	141	124.2 Å²	124.2	75%	0.754	70%	0.698	S	S	*	*			trans	51.2	148.4	148	-48.4	-15	0	0	0	121.7
94	D	36.8	Very low	32.1	Very low	147 Å²	147	125.6 Å²	125.6	79%	0.786	71%	0.713	S	S	*	*			cis	-166.9	165.8	1.4	-120.5	10.5	0	0	0	107.2
95	D	38.1	Very low	32	Very low	148 Å²	148	128.6 Å²	128.6	79%	0.791	72%	0.715	S	S	*	*			cis	-160.7	156.8	-25	175.8	41.8	0	0	0	108.9
96	G	37.5	Very low	31.8	Very low	63 Å²	63	129.4 Å²	129.4	65%	0.649	72%	0.715	S	S	*	*			trans	63.9	146.4	158.9	0	0	0	0	0	121
97	D	36.9	Very low	31.8	Very low	144 Å²	144	128.3 Å²	128.3	77%	0.77	72%	0.718	S	S	*	*			cis	-165.6	155	-25.7	-173.9	63.7	0	0	0	105.8	S99	D97-S99 VanDerWaalsContact OD2-CB 3.3Å; D97-S99 WeakPolarHBondContact OD2-CB 3.39Å; D97-S99 PolarHBondContact OD2-OG 3.02Å
98	G	37.1	Very low	31.7	Very low	70 Å²	70	124.1 Å²	124.1	72%	0.722	72%	0.717	S	S	*	*			cis	168	-147.7	0.6	0	0	0	0	0	109.6
99	S	35	Very low	31.6	Very low	84 Å²	84	124 Å²	124	59%	0.587	72%	0.721	S	S	*	*			cis	-161.3	92.9	-9.8	15.6	0	0	0	0	111.2	D97	D97-S99 VanDerWaalsContact OD2-CB 3.3Å; D97-S99 WeakPolarHBondContact OD2-CB 3.39Å; D97-S99 PolarHBondContact OD2-OG 3.02Å
100	S	31.4	Very low	31.6	Very low	121 Å²	121	125.5 Å²	125.5	85%	0.846	73%	0.728	S	S	*	*			trans	73.9	166.7	164.2	86.3	0	0	0	0	118.2
101	V	32.4	Very low	31.4	Very low	113 Å²	113	123.4 Å²	123.4	69%	0.685	73%	0.725	S	S	*	*			cis	-149.3	131.3	10.6	93.5	0	0	0	0	114.2
102	I	30.9	Very low	31.1	Very low	154 Å²	154	123.9 Å²	123.9	79%	0.79	73%	0.729	S	S	*	*			trans	53.4	136	135.9	-59.9	176.7	0	0	0	123.6
103	T	26.5	Very low	30.7	Very low	118 Å²	118	128 Å²	128	72%	0.724	74%	0.736	S	S	*	*			trans	-80.1	155.7	169.8	54.2	0	0	0	0	115.6
104	S	29	Very low	30.2	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	74%	0.735	S	S	*	*				158.4	141.5	102.3	60.9	0	0	0	0	118
105	R	25.4	Very low	29.7	Very low	185 Å²	185	125.4 Å²	125.4	70%	0.698	73%	0.729	S	S	*	*			trans	53.5	124.3	138.3	-72.8	-175.8	180	-159.4	-1.5	123.7	N1404	R105-N1404 PolarHBondContact NH2-OD1 2.74Å
106	L	25.8	Very low	29.2	Very low	146 Å²	146	127 Å²	127	76%	0.764	73%	0.729	S	S	*	*				98.2	140.1	129.8	-74.5	166.3	0	0	0	122.9
107	T	27.8	Very low	28.9	Very low	117 Å²	117	131.2 Å²	131.2	72%	0.718	73%	0.732	S	S	*	*			trans	69.9	92	151.5	44	0	0	0	0	122.8
108	S	26.5	Very low	28.6	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	72%	0.723	S	S	*	*				82.7	138.4	117.2	77.2	0	0	0	0	123.1
109	N	26.3	Very low	28.4	Very low	141 Å²	141	133.4 Å²	133.4	75%	0.754	73%	0.726	S	S	*	*			trans	79.9	119	143.1	-74.4	-30	0	0	0	122.7
110	K	27.3	Very low	28.3	Very low	187 Å²	187	134.7 Å²	134.7	81%	0.813	74%	0.735	S	S	*	*			trans	83.4	131.7	138.8	-69	-179.8	176.1	-177.5	0	121.8
111	S	26.3	Very low	28.5	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	73%	0.729	S	S	*	*			trans	56.1	107.3	141.9	59.6	0	0	0	0	121.4
112	S	23.8	Very low	28.5	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	74%	0.738	S	S	*	*				19.4	126.9	124	57.8	0	0	0	0	120
113	Y	26.9	Very low	28.6	Very low	208 Å²	208	131.4 Å²	131.4	82%	0.816	73%	0.729	S	S	*	*				-178.8	116.9	108.7	-111.1	-90.6	0	0	0	112.7
114	I	25.8	Very low	28.8	Very low	140 Å²	140	132 Å²	132	72%	0.718	73%	0.733	S	S	*	*			trans	33.9	137.8	136.4	-66.2	173.8	0	0	0	122.3
115	S	26.3	Very low	28.9	Very low	94 Å²	94	134.3 Å²	134.3	66%	0.657	74%	0.736	S	S	*	*			trans	82.6	164	151.2	76.2	0	0	0	0	120
116	F	27.6	Very low	29.4	Very low	183 Å²	183	130.7 Å²	130.7	80%	0.803	74%	0.736	S	S	*	*			cis	-151.6	168.8	12.1	-130.8	-58.6	0	0	0	113.1
117	E	31.8	Very low	29.5	Very low	151 Å²	151	131.1 Å²	131.1	71%	0.706	74%	0.738	S	S	*	*			trans	79.9	144.4	154.4	-71.1	-177.8	-144.6	0	0	118.9
118	N	31.4	Very low	29.5	Very low	111 Å²	111	131.4 Å²	131.4	59%	0.594	74%	0.74	S	S	*	*			cis	-156	150.6	4	-122.9	-20.7	0	0	0	115.6
119	L	33.1	Very low	29.4	Very low	148 Å²	148	131.1 Å²	131.1	78%	0.775	74%	0.738	S	S	*	*			trans	56.7	146.4	150.6	-59.1	167.1	0	0	0	121.1
120	S	32.2	Very low	29.4	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	74%	0.743	S	S	*	*			cis	-174.9	146.3	-16.5	53.4	0	0	0	0	111.4
121	G	34.7	Very low	29.3	Very low	70 Å²	70	128.6 Å²	128.6	72%	0.722	74%	0.736	S	S	*	*			trans	150	80.5	158.8	0	0	0	0	0	120.3
122	N	33.7	Very low	29.3	Very low	162 Å²	162	129 Å²	129	87%	0.866	74%	0.735	S	S	*	*			trans	37.7	143.2	137.5	-64.1	2.2	0	0	0	122.9
123	S	33.2	Very low	29.4	Very low	88 Å²	88	130.6 Å²	130.6	62%	0.615	74%	0.736	S	S	*	*			cis	-176.7	132.2	-3.2	47.5	0	0	0	0	114.7
124	T	30.4	Very low	29.4	Very low	131 Å²	131	127.5 Å²	127.5	80%	0.804	73%	0.729	S	S	*	*			trans	56.9	160.4	140.3	65.7	0	0	0	0	120.9
125	I	30.8	Very low	29.5	Very low	153 Å²	153	127.9 Å²	127.9	79%	0.785	73%	0.729	S	S	*	*			cis	-148	147.4	18.7	-54.7	164.1	0	0	0	110.6
126	P	35.8	Very low	29.4	Very low	109 Å²	109	131.6 Å²	131.6	71%	0.708	74%	0.738	S	S	*	*			trans	-118.6	170.2	166.6	40.8	-31	0	0	0	114.9
127	L	28.6	Very low	29.4	Very low	154 Å²	154	128.8 Å²	128.8	81%	0.806	74%	0.736	S	S	*	*			trans	158.6	148.1	143.8	-88.6	159.9	0	0	0	116.3
128	T	27.2	Very low	29.1	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	74%	0.737	S	S	*	*			trans	60.9	157.6	148.7	49.7	0	0	0	0	121.8
129	S	25.2	Very low	28.9	Very low	92 Å²	92	127.6 Å²	127.6	64%	0.643	74%	0.743	S	S	*	*			cis	-174.9	143.8	-22.5	55.3	0	0	0	0	113.7
130	L	24.5	Very low	28.4	Very low	162 Å²	162	127.3 Å²	127.3	85%	0.848	74%	0.741	S	S	*	*			trans	57.7	153	144.3	-87.9	100.1	0	0	0	124.6
131	V	25.6	Very low	28	Very low	113 Å²	113	126.6 Å²	126.6	69%	0.685	74%	0.736	S	S	*	*			trans	94.6	93	146.2	164	0	0	0	0	122.1
132	T	26	Very low	27.4	Very low	110 Å²	110	128.7 Å²	128.7	68%	0.675	74%	0.735	S	S	*	*			trans	67.1	145.1	130.2	67.2	0	0	0	0	125.9
133	N	26.5	Very low	27	Very low	129 Å²	129	126.3 Å²	126.3	69%	0.69	73%	0.727	S	S	*	*			trans	74.9	144	142.8	-78.2	32.6	0	0	0	120.2
134	E	26.2	Very low	26.5	Very low	142 Å²	142	129.7 Å²	129.7	66%	0.664	74%	0.735	S	S	*	*			cis	-167.1	177	-15.9	-146	172.2	-176.6	0	0	111.5
135	M	28.2	Very low	26.2	Very low	148 Å²	148	127.2 Å²	127.2	73%	0.729	72%	0.723	S	S	*	*			trans	70.9	120.7	163.7	-63.8	179.3	-165.8	0	0	117.9
136	M	25.3	Very low	25.9	Very low	173 Å²	173	129.9 Å²	129.9	85%	0.852	73%	0.729	S	S	*	*				71	142.7	78.5	-65.5	-172.9	-173.2	0	0	114.2
137	T	28.2	Very low	25.4	Very low	124 Å²	124	127.8 Å²	127.8	76%	0.761	73%	0.728	S	S	*	*			cis	-151.7	152.2	20.8	-25.8	0	0	0	0	114.9
138	T	25.5	Very low	25.1	Very low	116 Å²	116	129.7 Å²	129.7	71%	0.712	73%	0.73	S	S	*	*			trans	-26	151.3	158.9	-44.5	0	0	0	0	119.7
139	T	25.2	Very low	25	Very low	120 Å²	120	131.1 Å²	131.1	74%	0.736	73%	0.729	S	S	*	*				170.2	119.9	122.4	-71	0	0	0	0	116.2
140	I	24.1	Very low	25	Very low	142 Å²	142	131.8 Å²	131.8	73%	0.728	73%	0.73	S	S	*	*			trans	9.9	146.2	136.4	-13.3	170.5	0	0	0	117.9
141	S	23.2	Very low	25	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	73%	0.726	S	S	*	*			cis	-176.7	155.6	40.5	-28.9	0	0	0	0	116.8
142	T	23.1	Very low	25	Very low	114 Å²	114	130 Å²	130	70%	0.699	73%	0.726	S	S	*	*				63.5	97	125.3	-56.3	0	0	0	0	124.9
143	T	24	Very low	25	Very low	112 Å²	112	130.7 Å²	130.7	69%	0.687	73%	0.729	S	S	*	*			trans	66.6	173.7	133.9	70.8	0	0	0	0	123.7
144	M	23.3	Very low	24.9	Very low	159 Å²	159	131.4 Å²	131.4	78%	0.783	73%	0.726	S	S	*	*			trans	80.5	117.3	179.5	-54.2	-63.9	144.7	0	0	114.5
145	S	24.3	Very low	25.1	Very low	80 Å²	80	132 Å²	132	56%	0.559	73%	0.733	S	S	*	*			cis	94	138.6	25.4	94.4	0	0	0	0	115.3
146	F	23.5	Very low	25	Very low	208 Å²	208	135.5 Å²	135.5	91%	0.912	74%	0.738	S	S	*	*			trans	66.3	143.9	-169.1	-54.9	-91.9	0	0	0	115
147	G	25.5	Very low	25.2	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	74%	0.739	S	S	*	*			cis	-172.3	138.8	-8.8	0	0	0	0	0	114.9
148	K	23.3	Very low	25.2	Very low	194 Å²	194	138.5 Å²	138.5	84%	0.843	74%	0.743	S	S	*	*				40.1	139.8	121.8	-134.5	-174.6	-174.9	177.7	0	120.6
149	M	23.3	Very low	25.6	Very low	154 Å²	154	138.6 Å²	138.6	76%	0.759	75%	0.746	S	S	*	*			trans	81.9	144.2	159.3	-53.3	-172.4	64.6	0	0	116.6
150	T	25.2	Very low	26	Very low	106 Å²	106	138.2 Å²	138.2	65%	0.65	74%	0.744	S	S	*	*			cis	-166.1	159.8	-12.7	18.7	0	0	0	0	111.1
151	S	25.3	Very low	26.4	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	75%	0.747	S	S	*	*			trans	62	149.8	147.7	57.7	0	0	0	0	121.3
152	D	25.1	Very low	27	Very low	126 Å²	126	136.7 Å²	136.7	67%	0.674	74%	0.742	S	S	*	*			cis	-122.7	-117.3	-27.9	-165.7	-144.1	0	0	0	105.7	K154	D152-K154 IonicContact OD1-NZ 3.53Å; D152-K154 PolarHBondContact OD1-NZ 3.25Å
153	V	25.9	Very low	27.7	Very low	124 Å²	124	136.6 Å²	136.6	75%	0.752	74%	0.737	S	S	*	*			cis	-138.7	162	-19.5	75.3	0	0	0	0	109.3
154	K	26	Very low	28.4	Very low	144 Å²	144	138 Å²	138	63%	0.626	74%	0.74	S	S	*	*			trans	-68.3	158.7	178.9	-52.7	98.2	-174.2	154.3	0	110.9	D152	D152-K154 IonicContact OD1-NZ 3.53Å; D152-K154 PolarHBondContact OD1-NZ 3.25Å
155	I	29.9	Very low	29.2	Very low	156 Å²	156	134.7 Å²	134.7	80%	0.8	73%	0.725	S	S	*	*				-163.8	113.3	78.1	-83.1	155.9	0	0	0	106.5
156	R	26.1	Very low	29.9	Very low	221 Å²	221	135.3 Å²	135.3	83%	0.834	72%	0.722	S	S	*	*				82	110.6	69.1	-176.5	-158.2	-146.6	-174.8	8.7	113.5
157	N	30.2	Very low	30.9	Very low	165 Å²	165	129.2 Å²	129.2	88%	0.882	70%	0.702	S	S	*	*			trans	-161.2	159.2	137.7	-98.2	-21.9	0	0	0	111.9
158	K	28	Very low	31.5	Very low	194 Å²	194	131.8 Å²	131.8	84%	0.843	69%	0.694	S	S	*	*			trans	-152.1	141.7	-174.3	-101.6	-169.8	174.8	-175.7	0	111.6
159	P	33.1	Very low	32.4	Very low	119 Å²	119	129.5 Å²	129.5	77%	0.773	68%	0.68	S	S	*	*			trans	-120	176.9	153	36.3	-24.8	0	0	0	112.7
160	T	32.7	Very low	33.2	Very low	111 Å²	111	129.2 Å²	129.2	68%	0.681	67%	0.674	S	S	*	*				-148.8	93.4	-83.6	11.8	0	0	0	0	113.6	T162	T160-T162 VanDerWaalsContact C-N 3.29Å; T160-T162 PolarHBondContact O-N 2.76Å; T160-T162 PolarHBondContact O-OG1 3.16Å
161	S	34	Very low	34	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	67%	0.668	S	S	*	*	S	Bend	trans	50.3	-5	147.9	-157.1	0	0	0	0	123.2
162	T	36.1	Very low	34.6	Very low	91 Å²	91	129.7 Å²	129.7	56%	0.558	66%	0.66	S	S	*	*	S	Bend	trans	-92.4	-47.2	-168.1	38.5	0	0	0	0	114.6	T160 L164 L165	T160-T162 VanDerWaalsContact C-N 3.29Å; T160-T162 PolarHBondContact O-N 2.76Å; T160-T162 PolarHBondContact O-OG1 3.16Å; T162-L164 PolarHBondContact O-N 2.59Å; T162-L165 WeakPolarHBondContact O-CB 3.26Å; T162-L165 PolarHBondContact O-N 3.37Å; T162-L165 VanDerWaalsContact O-N 3.13Å
163	D	37.1	Very low	35.1	Very low	113 Å²	113	133 Å²	133	60%	0.604	66%	0.663	S	S	*	*	H	α-helix	trans	-72.6	-36.9	-167.6	-53.1	-72.6	0	0	0	112.9	L165 N166 V167	D163-L165 PolarHBondContact O-N 3.07Å; D163-L165 VanDerWaalsContact O-N 3.16Å; D163-N166 PolarHBondContact O-N 2.99Å; D163-V167 PolarHBondContact O-N 3.16Å
164	L	39.1	Very low	35.7	Very low	141 Å²	141	132.5 Å²	132.5	74%	0.738	65%	0.652	S	S	*	*	H	α-helix	trans	-58.4	-25.8	172.6	-82.2	163.2	0	0	0	113.1	T162 K168	T162-L164 PolarHBondContact O-N 2.59Å; L164-K168 WeakPolarHBondContact O-CB 3.2Å; L164-K168 PolarHBondContact O-N 3.26Å; L164-K168 VanDerWaalsContact O-N 3.15Å
165	L	39.5	Very low	36.2	Very low	90 Å²	90	134 Å²	134	47%	0.471	65%	0.654	S	S	.	*	H	α-helix	trans	-77.4	-34.1	175.4	-153.2	76.6	0	0	0	111.8	T162 D163 R169	T162-L165 WeakPolarHBondContact O-CB 3.26Å; T162-L165 PolarHBondContact O-N 3.37Å; T162-L165 VanDerWaalsContact O-N 3.13Å; D163-L165 PolarHBondContact O-N 3.07Å; D163-L165 VanDerWaalsContact O-N 3.16Å; L165-R169 WeakPolarHBondContact O-CB 3.14Å; L165-R169 WeakPolarHBondContact O-CG 3.21Å; L165-R169 PolarHBondContact O-N 3.19Å
166	N	39.6	Very low	36.4	Very low	93 Å²	93	129.4 Å²	129.4	50%	0.497	64%	0.639	S	S	.	*	H	α-helix	trans	-75.4	-41.7	176.5	-74.5	-24.5	0	0	0	111.9	D163 K168 R169 K170	D163-N166 PolarHBondContact O-N 2.99Å; N166-K168 VanDerWaalsContact C-N 3.32Å; N166-K168 PolarHBondContact O-N 2.8Å; N166-R169 PolarHBondContact O-N 2.81Å; N166-K170 WeakPolarHBondContact O-CB 3.39Å; N166-K170 PolarHBondContact O-N 2.58Å
167	V	43.6	Very low	36.9	Very low	80 Å²	80	122.6 Å²	122.6	49%	0.485	62%	0.623	S	S	.	*	H	α-helix	trans	-58.3	-45.1	170.9	174.6	0	0	0	0	110.5	D163 R169 K170 L171	D163-V167 PolarHBondContact O-N 3.16Å; V167-R169 PolarHBondContact O-N 3.17Å; V167-K170 PolarHBondContact O-N 2.7Å; V167-L171 HydrophobicContact CG1-CD1 3.95Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 3Å
168	K	38.2	Very low	37	Very low	120 Å²	120	120 Å²	120	52%	0.522	62%	0.616	S	S	.	*	H	α-helix	trans	-62.2	-40.3	176.7	-170	171.1	-174	173.3	0	112.9	L164 N166 Q172	L164-K168 WeakPolarHBondContact O-CB 3.2Å; L164-K168 PolarHBondContact O-N 3.26Å; L164-K168 VanDerWaalsContact O-N 3.15Å; N166-K168 VanDerWaalsContact C-N 3.32Å; N166-K168 PolarHBondContact O-N 2.8Å; K168-Q172 WeakPolarHBondContact O-CB 3.44Å; K168-Q172 WeakPolarHBondContact O-CG 3.25Å; K168-Q172 PolarHBondContact O-N 3.36Å
169	R	42.7	Very low	37.3	Very low	145 Å²	145	115.3 Å²	115.3	55%	0.547	61%	0.608	S	S	.	*	H	α-helix	trans	-68	-36.4	172.7	-76.2	171.1	174.6	167.6	-3.1	112.9	L165 N166 V167 R173	L165-R169 WeakPolarHBondContact O-CB 3.14Å; L165-R169 WeakPolarHBondContact O-CG 3.21Å; L165-R169 PolarHBondContact O-N 3.19Å; N166-R169 PolarHBondContact O-N 2.81Å; V167-R169 PolarHBondContact O-N 3.17Å; R169-R173 WeakPolarHBondContact O-CB 3.49Å; R169-R173 WeakPolarHBondContact O-CG 3.3Å; R169-R173 PolarHBondContact O-N 3.13Å
170	K	40.1	Very low	37.1	Very low	148 Å²	148	112.7 Å²	112.7	64%	0.643	59%	0.592	S	S	*	*	H	α-helix	trans	-68.2	-44.7	178.3	-158.9	173.7	-175.6	-176.7	0	110.9	N166 V167 R173 Q174	N166-K170 WeakPolarHBondContact O-CB 3.39Å; N166-K170 PolarHBondContact O-N 2.58Å; V167-K170 PolarHBondContact O-N 2.7Å; K170-R173 PolarHBondContact O-N 3.17Å; K170-Q174 PolarHBondContact O-N 3.32Å
171	L	40.9	Very low	37	Very low	98 Å²	98	114.6 Å²	114.6	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-66.6	-42.6	173.3	-72.7	170.2	0	0	0	112.7	V167 R173 Q174 W175	V167-L171 HydrophobicContact CG1-CD1 3.95Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 3Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.04Å; L171-Q174 PolarHBondContact O-N 2.94Å; L171-W175 WeakPolarHBondContact O-CB 3.46Å; L171-W175 PolarHBondContact O-N 3.18Å
172	Q	38.4	Very low	36.7	Very low	130 Å²	130	117.8 Å²	117.8	61%	0.607	59%	0.593	S	S	*	*	H	α-helix	trans	-64.9	-31.7	174.2	-76	-171	-91.3	0	0	112.7	K168 A176	K168-Q172 WeakPolarHBondContact O-CB 3.44Å; K168-Q172 WeakPolarHBondContact O-CG 3.25Å; K168-Q172 PolarHBondContact O-N 3.36Å; Q172-A176 WeakPolarHBondContact O-CB 3.44Å; Q172-A176 PolarHBondContact O-N 2.7Å; Q172-A176 VanDerWaalsContact O-N 3.1Å
173	R	36.9	Very low	36.3	Very low	195 Å²	195	120.5 Å²	120.5	74%	0.736	60%	0.604	S	S	*	*	H	α-helix	trans	-70.3	-46.4	171.9	-78.9	177.4	171.9	-178.9	-3.9	111.9	R169 K170 L171 W175 A176 T177	R169-R173 WeakPolarHBondContact O-CB 3.49Å; R169-R173 WeakPolarHBondContact O-CG 3.3Å; R169-R173 PolarHBondContact O-N 3.13Å; K170-R173 PolarHBondContact O-N 3.17Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.04Å; R173-W175 PolarHBondContact O-N 2.87Å; R173-A176 WeakPolarHBondContact O-CB 3.47Å; R173-A176 PolarHBondContact O-N 2.86Å; R173-T177 PolarHBondContact O-N 3.46Å; R173-T177 PolarHBondContact O-OG1 2.84Å
174	Q	38	Very low	35.9	Very low	113 Å²	113	122.3 Å²	122.3	53%	0.528	61%	0.614	S	S	.	*	H	α-helix	trans	-62.6	-39.7	176.4	-75.9	178.5	-37.1	0	0	112.6	K170 L171 A176 T177 C178	K170-Q174 PolarHBondContact O-N 3.32Å; L171-Q174 PolarHBondContact O-N 2.94Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 2.9Å; Q174-T177 PolarHBondContact O-N 2.66Å; Q174-C178 PolarHBondContact O-N 2.67Å; Q174-C178 PolarHBondContact O-SG 2.71Å
175	W	35.2	Very low	35.3	Very low	176 Å²	176	123.3 Å²	123.3	67%	0.667	62%	0.62	S	S	*	*	H	α-helix	trans	-66.6	-33.6	174.9	-144.8	-42.5	0	0	0	112.2	L171 R173	L171-W175 WeakPolarHBondContact O-CB 3.46Å; L171-W175 PolarHBondContact O-N 3.18Å; R173-W175 PolarHBondContact O-N 2.87Å
176	A	35.8	Very low	34.7	Very low	59 Å²	59	126.8 Å²	126.8	49%	0.488	64%	0.639	S	S	.	*	H	α-helix	trans	-69.1	-42.1	171.6	0	0	0	0	0	112.2	Q172 R173 Q174 S179 S180	Q172-A176 WeakPolarHBondContact O-CB 3.44Å; Q172-A176 PolarHBondContact O-N 2.7Å; Q172-A176 VanDerWaalsContact O-N 3.1Å; R173-A176 WeakPolarHBondContact O-CB 3.47Å; R173-A176 PolarHBondContact O-N 2.86Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 2.9Å; A176-S179 CarbonylContact O-C 3.48Å; A176-S179 PolarHBondContact O-N 3.11Å; A176-S179 VanDerWaalsContact O-N 3.13Å; A176-S180 WeakPolarHBondContact O-CB 3.49Å; A176-S180 PolarHBondContact O-N 3.01Å; A176-S180 PolarHBondContact O-OG 2.94Å
177	T	36.3	Very low	34.1	Very low	79 Å²	79	127.4 Å²	127.4	49%	0.485	65%	0.65	S	S	.	*	H	α-helix	trans	-65.1	-42.3	179.3	-51.7	0	0	0	0	112	R173 Q174 S179 S180	R173-T177 PolarHBondContact O-N 3.46Å; R173-T177 PolarHBondContact O-OG1 2.84Å; Q174-T177 PolarHBondContact O-N 2.66Å; T177-S179 PolarHBondContact O-N 2.88Å; T177-S179 VanDerWaalsContact O-N 3.07Å; T177-S180 PolarHBondContact O-N 3.3Å; T177-S180 PolarHBondContact O-OG 3.18Å
178	C	32.4	Very low	33.3	Very low	109 Å²	109	131.5 Å²	131.5	74%	0.736	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	12.7	174.6	-62	0	0	0	0	113.8	Q174	Q174-C178 PolarHBondContact O-N 2.67Å; Q174-C178 PolarHBondContact O-SG 2.71Å
179	S	33.9	Very low	32.8	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	20.4	168.6	-62.3	0	0	0	0	112.2	A176 T177	A176-S179 CarbonylContact O-C 3.48Å; A176-S179 PolarHBondContact O-N 3.11Å; A176-S179 VanDerWaalsContact O-N 3.13Å; T177-S179 PolarHBondContact O-N 2.88Å; T177-S179 VanDerWaalsContact O-N 3.07Å
180	S	29.2	Very low	32	Very low	63 Å²	63	133.7 Å²	133.7	44%	0.441	70%	0.696	S	S	.	*	S	Bend	trans	-126.8	15.3	179.8	73.5	0	0	0	0	114.4	A176 T177	A176-S180 WeakPolarHBondContact O-CB 3.49Å; A176-S180 PolarHBondContact O-N 3.01Å; A176-S180 PolarHBondContact O-OG 2.94Å; T177-S180 PolarHBondContact O-N 3.3Å; T177-S180 PolarHBondContact O-OG 3.18Å
181	L	29.9	Very low	31.3	Very low	151 Å²	151	137.3 Å²	137.3	79%	0.791	71%	0.708	S	S	*	*	S	Bend	trans	-107.1	18.4	175.5	-76.3	170.7	0	0	0	113.5
182	Y	28.4	Very low	30.6	Very low	183 Å²	183	142 Å²	142	72%	0.718	73%	0.727	S	S	*	*	S	Bend	trans	-144.1	45.4	165.9	-129.3	-83.2	0	0	0	112.3	K572	Y182-K572 VanDerWaalsContact OH-CE 3.23Å; Y182-K572 WeakPolarHBondContact OH-CE 3.45Å; Y182-K572 PolarHBondContact OH-NZ 2.93Å
183	N	27.5	Very low	30.1	Very low	148 Å²	148	141.8 Å²	141.8	79%	0.791	74%	0.735	S	S	*	*	S	Bend	trans	-169.2	75.4	161.3	-103.9	-21.4	0	0	0	109.4
184	N	27.6	Very low	29.7	Very low	151 Å²	151	138 Å²	138	81%	0.807	73%	0.733	S	S	*	*			trans	-172.2	82.4	160	-102.5	-11.4	0	0	0	109.5
185	N	28.4	Very low	29.2	Very low	162 Å²	162	139.3 Å²	139.3	87%	0.866	74%	0.744	S	S	*	*	S	Bend	trans	-112.6	149.2	142.3	-106.6	1.6	0	0	0	106.7	S187	N185-S187 PolarHBondContact O-N 2.82Å
186	N	26.3	Very low	28.9	Very low	162 Å²	162	136 Å²	136	87%	0.866	75%	0.748	S	S	*	*			trans	-72.7	126	-166.7	-64.3	-44.1	0	0	0	112.8
187	S	27.5	Very low	28.6	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	76%	0.764	S	S	*	*			trans	-175.1	99.8	145.2	52.7	0	0	0	0	110.7	N185	N185-S187 PolarHBondContact O-N 2.82Å
188	N	26	Very low	28.4	Very low	167 Å²	167	139 Å²	139	89%	0.893	77%	0.773	S	S	*	*			trans	174.9	77.4	149.1	-94.4	-36.1	0	0	0	111.2
189	N	26.6	Very low	28.2	Very low	161 Å²	161	141 Å²	141	86%	0.861	78%	0.775	S	S	*	*	S	Bend	trans	-156.9	152.1	150.5	-107	-27.4	0	0	0	107.4
190	I	25.7	Very low	28	Very low	149 Å²	149	146.2 Å²	146.2	76%	0.764	78%	0.782	S	S	*	*	S	Bend	trans	65.4	89.2	-166.2	-46.7	172.7	0	0	0	112.3
191	Y	26	Very low	28.2	Very low	225 Å²	225	150 Å²	150	88%	0.882	80%	0.797	S	S	*	*				-172.5	80.2	125.2	-92.7	-57.7	0	0	0	109.1
192	Q	25.9	Very low	28	Very low	197 Å²	197	149.3 Å²	149.3	92%	0.921	79%	0.793	S	S	*	*			trans	-154.5	82.5	163.1	-134	177.3	35.2	0	0	112.8
193	T	28.7	Very low	27.9	Very low	125 Å²	125	148 Å²	148	77%	0.767	80%	0.798	S	S	*	*			trans	-133.1	112.5	161.5	24.9	0	0	0	0	108.4
194	T	28	Very low	28.1	Very low	116 Å²	116	146 Å²	146	71%	0.712	80%	0.795	S	S	*	*			trans	48.6	137.2	135.3	56.9	0	0	0	0	120.1
195	N	28.1	Very low	28.3	Very low	139 Å²	139	146.3 Å²	146.3	74%	0.743	80%	0.795	S	S	*	*			cis	-168.1	156.8	14.6	-122.5	-12.6	0	0	0	113.4
196	S	28	Very low	28.2	Very low	108 Å²	108	144.8 Å²	144.8	76%	0.755	79%	0.792	S	S	*	*			trans	66.9	158.6	151.8	78.2	0	0	0	0	118.1
197	T	31.4	Very low	28.3	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	78%	0.784	S	S	*	*			cis	-140.5	153	7.1	47.7	0	0	0	0	112.8
198	G	31.4	Very low	28.5	Very low	64 Å²	64	143 Å²	143	66%	0.66	78%	0.783	S	S	*	*			trans	106.7	109.3	166.1	0	0	0	0	0	113.6
199	L	27.8	Very low	28.6	Very low	151 Å²	151	145.9 Å²	145.9	79%	0.791	78%	0.781	S	S	*	*				60.8	121.5	57.6	-56.8	167.6	0	0	0	111.5
200	Y	30.7	Very low	28.5	Very low	206 Å²	206	150.3 Å²	150.3	81%	0.808	79%	0.785	S	S	*	*			cis	-134.5	177.6	14.7	-65.4	-107.6	0	0	0	110
201	D	31.6	Very low	28.6	Very low	144 Å²	144	148.8 Å²	148.8	77%	0.77	79%	0.788	S	S	*	*			cis	-145.8	178.9	-0	-148.4	-21.6	0	0	0	110.8
202	I	26.8	Very low	28.8	Very low	136 Å²	136	141.3 Å²	141.3	70%	0.697	78%	0.78	S	S	*	*			trans	-128.8	147.2	-160.3	-81.5	175.4	0	0	0	115
203	N	26.1	Very low	28.8	Very low	155 Å²	155	140.1 Å²	140.1	83%	0.829	78%	0.778	S	S	*	*			trans	64.2	128.1	163.6	-71.3	-24.7	0	0	0	120.3
204	S	31.3	Very low	28.7	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	78%	0.779	S	S	*	*				-160.4	154.8	112.7	65.5	0	0	0	0	113.5
205	I	31.2	Very low	28.6	Very low	158 Å²	158	143.5 Å²	143.5	81%	0.81	79%	0.786	S	S	*	*			trans	61.2	93.8	161.7	-57.8	159.6	0	0	0	117.2
206	T	27.4	Very low	28.7	Very low	130 Å²	130	148.6 Å²	148.6	80%	0.798	79%	0.794	S	S	*	*			trans	-78.1	163.8	155.2	48.4	0	0	0	0	111.9
207	S	29	Very low	28.8	Very low	99 Å²	99	152.3 Å²	152.3	69%	0.692	80%	0.797	S	S	*	*			trans	78.2	104.6	166.4	78.7	0	0	0	0	118.9
208	N	30.8	Very low	28.8	Very low	133 Å²	133	152 Å²	152	71%	0.711	79%	0.791	S	S	*	*				-162.1	145.9	106.4	-111.4	-80.1	0	0	0	114.1
209	R	28.9	Very low	28.9	Very low	226 Å²	226	157.9 Å²	157.9	85%	0.853	80%	0.798	S	S	*	*			trans	50.1	107.7	152.9	-69.1	166.5	-168.5	-137.3	-3.7	120.6
210	R	24.9	Very low	29.4	Very low	254 Å²	254	154.9 Å²	154.9	96%	0.958	79%	0.789	S	S	*	*			trans	-43.5	127.7	161.2	-59.8	167.3	173.9	164.5	-3.9	114.3
211	S	27.5	Very low	29.5	Very low	117 Å²	117	153.3 Å²	153.3	82%	0.818	78%	0.782	S	S	*	*			trans	-162.7	166.3	147.4	64.1	0	0	0	0	110.1
212	G	29.5	Very low	29.5	Very low	69 Å²	69	154.7 Å²	154.7	71%	0.711	78%	0.777	S	S	*	*			trans	100.6	-0.5	159.4	0	0	0	0	0	120.7	T214	G212-T214 PolarHBondContact O-N 3.24Å
213	I	26.1	Very low	29.9	Very low	172 Å²	172	153.6 Å²	153.6	88%	0.882	77%	0.772	S	S	*	*			trans	-77.8	59	178.9	-44.7	-179.5	0	0	0	112.4
214	T	25.7	Very low	30.4	Very low	128 Å²	128	152.1 Å²	152.1	79%	0.785	76%	0.758	S	S	*	*			trans	-152.3	75.1	177.6	49.4	0	0	0	0	113.6	G212	G212-T214 PolarHBondContact O-N 3.24Å
215	E	26.4	Very low	30.7	Very low	183 Å²	183	151.4 Å²	151.4	86%	0.855	75%	0.745	S	S	*	*			trans	-146	170.3	159.9	-128.3	173.1	-159.5	0	0	114	K217	E215-K217 PolarHBondContact O-N 3.19Å
216	R	29.5	Very low	30.9	Very low	246 Å²	246	151.5 Å²	151.5	93%	0.928	74%	0.736	S	S	*	*	S	Bend	trans	59.5	-2.5	-175.1	-64.8	-174.7	175.6	177.3	-1.3	118.8
217	K	30.4	Very low	31.5	Very low	186 Å²	186	152.6 Å²	152.6	81%	0.809	73%	0.725	S	S	*	*			trans	-87.3	6.7	174.7	-83.1	-175.1	176	176	0	117.3	E215	E215-K217 PolarHBondContact O-N 3.19Å
218	N	31.4	Very low	32	Very low	131 Å²	131	151.8 Å²	151.8	70%	0.701	71%	0.71	S	S	*	*	S	Bend	trans	-106.3	-5.2	-168.2	-87.3	-22.2	0	0	0	118.4
219	K	33.3	Very low	32.5	Very low	187 Å²	187	150 Å²	150	81%	0.813	71%	0.708	S	S	*	*	H	α-helix	trans	-77.4	-41.2	175.7	-80.7	-173.6	175.5	-179.8	0	113.2	W222	K219-W222 PolarHBondContact O-N 2.9Å
220	S	38.7	Very low	32.9	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	70%	0.695	S	S	*	*	H	α-helix	trans	-70.3	-34.1	-177.9	45	0	0	0	0	113.6	W222 F224	S220-W222 VanDerWaalsContact C-N 3.33Å; S220-W222 PolarHBondContact O-N 2.6Å; S220-F224 WeakPolarHBondContact O-CB 3.48Å; S220-F224 PolarHBondContact O-N 3.46Å
221	R	32.1	Very low	33.6	Very low	172 Å²	172	137 Å²	137	65%	0.649	68%	0.678	S	S	*	*	H	α-helix	trans	-68.9	-28.7	177.5	-169.8	168.9	177.9	156.8	-2.3	113.2	L225	R221-L225 HydrophobicContact CG-CD1 4.23Å; R221-L225 WeakPolarHBondContact O-CG 3.35Å; R221-L225 PolarHBondContact O-N 2.95Å; R221-L225 VanDerWaalsContact O-N 3.09Å
222	W	32.3	Very low	33.7	Very low	174 Å²	174	140.4 Å²	140.4	66%	0.659	67%	0.673	S	S	*	*	H	α-helix	trans	-72.4	-44.1	176.6	-128.3	89.2	0	0	0	111.7	K219 S220 F224 L225 W226	K219-W222 PolarHBondContact O-N 2.9Å; S220-W222 VanDerWaalsContact C-N 3.33Å; S220-W222 PolarHBondContact O-N 2.6Å; W222-F224 VanDerWaalsContact C-N 3.34Å; W222-F224 PolarHBondContact O-N 2.85Å; W222-L225 PolarHBondContact O-N 2.74Å; W222-W226 VanDerWaalsContact O-CB 3.3Å; W222-W226 WeakPolarHBondContact O-CB 3.38Å; W222-W226 PolarHBondContact O-N 2.97Å
223	L	35	Very low	33.8	Very low	113 Å²	113	140.5 Å²	140.5	59%	0.592	67%	0.674	S	S	*	*	H	α-helix	trans	-61.2	-40.9	172.1	-81.5	160.7	0	0	0	112	L225 W226 R227	L223-L225 PolarHBondContact O-N 3.22Å; L223-W226 HydrophobicContact CD2-CE3 4.17Å; L223-W226 HydrophobicContact CD2-CZ3 4.48Å; L223-W226 PolarHBondContact O-N 2.82Å; L223-R227 WeakPolarHBondContact O-CB 3.34Å; L223-R227 PolarHBondContact O-N 2.89Å
224	F	37	Very low	34	Very low	124 Å²	124	140.8 Å²	140.8	54%	0.544	68%	0.676	S	S	.	*	H	α-helix	trans	-66.4	-34.1	178.5	-175.6	-110.8	0	0	0	113.8	S220 W222 Q228	S220-F224 WeakPolarHBondContact O-CB 3.48Å; S220-F224 PolarHBondContact O-N 3.46Å; W222-F224 VanDerWaalsContact C-N 3.34Å; W222-F224 PolarHBondContact O-N 2.85Å; F224-Q228 VanDerWaalsContact CZ-NE2 3.28Å; F224-Q228 PolarHBondContact O-N 2.89Å
225	L	37	Very low	34.1	Very low	90 Å²	90	142 Å²	142	47%	0.471	68%	0.677	S	S	.	*	H	α-helix	trans	-78.7	-40.6	174.4	-73.2	170.1	0	0	0	112	R221 W222 L223 R227 Q228 S229	R221-L225 HydrophobicContact CG-CD1 4.23Å; R221-L225 WeakPolarHBondContact O-CG 3.35Å; R221-L225 PolarHBondContact O-N 2.95Å; R221-L225 VanDerWaalsContact O-N 3.09Å; W222-L225 PolarHBondContact O-N 2.74Å; L223-L225 PolarHBondContact O-N 3.22Å; L225-R227 PolarHBondContact O-N 2.97Å; L225-Q228 PolarHBondContact O-N 3.44Å; L225-S229 PolarHBondContact O-N 2.87Å; L225-S229 PolarHBondContact O-OG 3.16Å
226	W	36.7	Very low	34.1	Very low	160 Å²	160	138 Å²	138	61%	0.606	67%	0.669	S	S	*	*	H	α-helix	trans	-59	-46.1	175.8	-176.9	57.3	0	0	0	111.3	W222 L223 S229 V230	W222-W226 VanDerWaalsContact O-CB 3.3Å; W222-W226 WeakPolarHBondContact O-CB 3.38Å; W222-W226 PolarHBondContact O-N 2.97Å; L223-W226 HydrophobicContact CD2-CE3 4.17Å; L223-W226 HydrophobicContact CD2-CZ3 4.48Å; L223-W226 PolarHBondContact O-N 2.82Å; W226-S229 CarbonylContact O-C 3.51Å; W226-S229 PolarHBondContact O-N 3.05Å; W226-S229 VanDerWaalsContact O-N 3.09Å; W226-V230 WeakPolarHBondContact O-CG2 3.45Å; W226-V230 PolarHBondContact O-N 3.1Å
227	R	38.7	Very low	34	Very low	152 Å²	152	132.2 Å²	132.2	57%	0.574	66%	0.661	S	S	*	*	H	α-helix	trans	-62	-44.9	175.4	-136.8	172.3	178.7	156	-0.2	112	L223 L225 S229 V230 D231	L223-R227 WeakPolarHBondContact O-CB 3.34Å; L223-R227 PolarHBondContact O-N 2.89Å; L225-R227 PolarHBondContact O-N 2.97Å; R227-S229 PolarHBondContact O-N 3.05Å; R227-S229 VanDerWaalsContact O-N 3.14Å; R227-V230 PolarHBondContact O-N 3.36Å; R227-D231 WeakPolarHBondContact CG-OD2 3.46Å; R227-D231 WeakPolarHBondContact O-CB 3.28Å; R227-D231 PolarHBondContact O-N 2.81Å
228	Q	39	Very low	34	Very low	82 Å²	82	129.7 Å²	129.7	38%	0.383	66%	0.662	S	S	.	*	H	α-helix	trans	-64.5	-14.7	173.3	-88.3	-174.6	78.2	0	0	115.6	F224 L225	F224-Q228 VanDerWaalsContact CZ-NE2 3.28Å; F224-Q228 PolarHBondContact O-N 2.89Å; L225-Q228 PolarHBondContact O-N 3.44Å
229	S	41.3	Very low	33.8	Very low	95 Å²	95	131.5 Å²	131.5	66%	0.664	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-1.4	173.1	-65.8	0	0	0	0	113.8	L225 W226 R227	L225-S229 PolarHBondContact O-N 2.87Å; L225-S229 PolarHBondContact O-OG 3.16Å; W226-S229 CarbonylContact O-C 3.51Å; W226-S229 PolarHBondContact O-N 3.05Å; W226-S229 VanDerWaalsContact O-N 3.09Å; R227-S229 PolarHBondContact O-N 3.05Å; R227-S229 VanDerWaalsContact O-N 3.14Å
230	V	39.1	Very low	33.7	Very low	94 Å²	94	131.9 Å²	131.9	57%	0.57	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-39.7	172.6	175.4	0	0	0	0	110.2	W226 R227 R232	W226-V230 WeakPolarHBondContact O-CG2 3.45Å; W226-V230 PolarHBondContact O-N 3.1Å; R227-V230 PolarHBondContact O-N 3.36Å; V230-R232 PolarHBondContact O-N 3.01Å
231	D	37.7	Very low	33.5	Very low	114 Å²	114	131.5 Å²	131.5	61%	0.61	67%	0.665	S	S	*	*	S	Bend	trans	-71.6	21.5	174.7	-54.5	-24.1	0	0	0	113.4	R227	R227-D231 WeakPolarHBondContact CG-OD2 3.46Å; R227-D231 WeakPolarHBondContact O-CB 3.28Å; R227-D231 PolarHBondContact O-N 2.81Å
232	R	31.5	Very low	33.6	Very low	189 Å²	189	129.6 Å²	129.6	71%	0.713	67%	0.668	S	S	*	*	S	Bend	trans	-136	104	171.3	-74.3	-172.1	174.9	-170	-1	108.2	V230	V230-R232 PolarHBondContact O-N 3.01Å
233	G	31.3	Very low	33.9	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	67%	0.669	S	S	*	*			trans	-54.3	151.3	179.2	0	0	0	0	0	112.6	D235	G233-D235 PolarHBondContact O-N 3.05Å
234	I	29.8	Very low	34.3	Very low	178 Å²	178	126.7 Å²	126.7	91%	0.913	66%	0.661	S	S	*	*			trans	-78.8	77.6	-179.3	-55.9	176.1	0	0	0	108.8
235	D	27.9	Very low	34.4	Very low	153 Å²	153	129.8 Å²	129.8	82%	0.818	67%	0.669	S	S	*	*			trans	-67.6	149.8	158.2	-98.1	-42	0	0	0	110.2	G233	G233-D235 PolarHBondContact O-N 3.05Å
236	S	26.7	Very low	35	Very low	98 Å²	98	128.5 Å²	128.5	69%	0.685	67%	0.665	S	S	*	*	S	Bend	trans	-66.8	153.1	-171.5	71.8	0	0	0	0	114
237	T	26.3	Very low	36	Very low	125 Å²	125	124.3 Å²	124.3	77%	0.767	65%	0.654	S	S	*	*			trans	73.2	111.7	172.2	76.9	0	0	0	0	118
238	T	31.4	Very low	36.4	Very low	134 Å²	134	122 Å²	122	82%	0.822	65%	0.651	S	S	*	*				-179.7	148.5	129.6	23.9	0	0	0	0	111.3
239	N	27.6	Very low	36.8	Very low	168 Å²	168	126.2 Å²	126.2	90%	0.898	66%	0.663	S	S	*	*			trans	-76.8	124.5	-174	-75.1	-34.3	0	0	0	113.2
240	W	29.6	Very low	37.4	Very low	196 Å²	196	128.5 Å²	128.5	74%	0.742	66%	0.657	S	S	*	*			trans	-120.5	134	161.3	-84.9	54.2	0	0	0	109.2	T244	W240-T244 HydrophobicContact CE3-CG2 4.5Å; W240-T244 HydrophobicContact CZ3-CG2 4.41Å
241	S	36.1	Very low	38.4	Very low	79 Å²	79	133.1 Å²	133.1	55%	0.552	66%	0.664	S	S	*	*			trans	-71.3	141.9	-173.3	62.7	0	0	0	0	112.9	K243 T244	S241-K243 PolarHBondContact O-N 2.8Å; S241-T244 PolarHBondContact O-N 2.88Å
242	N	34	Very low	38.8	Very low	132 Å²	132	132.5 Å²	132.5	71%	0.706	66%	0.661	S	S	*	*	H	α-helix	trans	-53.3	-33.5	-175.3	-80.2	-21.7	0	0	0	113.8	T244 R245 V246	N242-T244 PolarHBondContact O-N 3.04Å; N242-R245 PolarHBondContact O-N 2.52Å; N242-V246 WeakPolarHBondContact O-CG2 3.27Å; N242-V246 PolarHBondContact O-N 2.75Å
243	K	38.2	Very low	40	Very low	160 Å²	160	124.4 Å²	124.4	70%	0.696	63%	0.631	S	S	*	*	H	α-helix	trans	-58.2	-47.1	-178	-162.1	169.9	-174.7	175.1	0	112.4	S241 R245 V246 D247	S241-K243 PolarHBondContact O-N 2.8Å; K243-R245 VanDerWaalsContact C-N 3.34Å; K243-R245 PolarHBondContact O-N 2.68Å; K243-V246 PolarHBondContact O-N 3.42Å; K243-D247 PolarHBondContact O-N 3.03Å
244	T	43.2	Very low	41.2	Very low	66 Å²	66	130 Å²	130	41%	0.405	63%	0.63	S	S	.	*	H	α-helix	trans	-66.9	-35.8	-178.5	-41.1	0	0	0	0	112.2	W240 S241 N242 M248	W240-T244 HydrophobicContact CE3-CG2 4.5Å; W240-T244 HydrophobicContact CZ3-CG2 4.41Å; S241-T244 PolarHBondContact O-N 2.88Å; N242-T244 PolarHBondContact O-N 3.04Å; T244-M248 PolarHBondContact O-N 3.32Å
245	R	40.2	Very low	42.4	Very low	189 Å²	189	130.3 Å²	130.3	71%	0.713	63%	0.625	S	S	*	*	H	α-helix	trans	-72.5	-36.7	178.9	-150.4	169.2	-174.7	163.1	-0.1	111.5	N242 K243 R249	N242-R245 PolarHBondContact O-N 2.52Å; K243-R245 VanDerWaalsContact C-N 3.34Å; K243-R245 PolarHBondContact O-N 2.68Å; R245-R249 PolarHBondContact O-N 3.32Å
246	V	49.6	Very low	43.2	Very low	64 Å²	64	127.7 Å²	127.7	39%	0.388	61%	0.61	S	S	.	*	H	α-helix	trans	-67.8	-44	173.8	167.7	0	0	0	0	112.1	N242 K243 M248 R249 R250	N242-V246 WeakPolarHBondContact O-CG2 3.27Å; N242-V246 PolarHBondContact O-N 2.75Å; K243-V246 PolarHBondContact O-N 3.42Å; V246-M248 PolarHBondContact O-N 3.05Å; V246-R249 PolarHBondContact O-N 3.22Å; V246-R250 HydrophobicContact CG1-CG 4.27Å; V246-R250 WeakPolarHBondContact O-CG 3.43Å; V246-R250 PolarHBondContact O-N 2.74Å
247	D	57.2	Low	44.6	Very low	71 Å²	71	126.1 Å²	126.1	38%	0.38	61%	0.609	S	S	.	*	H	α-helix	trans	-72.1	-27.4	-177.2	-77.3	-24.5	0	0	0	113.7	K243 R250 R251	K243-D247 PolarHBondContact O-N 3.03Å; D247-R250 IonicContact OD1-NH1 2.68Å; D247-R251 WeakPolarHBondContact O-CG 3.29Å; D247-R251 PolarHBondContact O-N 3.27Å; D247-R251 VanDerWaalsContact O-N 3.14Å
248	M	47.1	Very low	45.9	Very low	103 Å²	103	123.3 Å²	123.3	51%	0.507	59%	0.585	S	S	.	*	H	α-helix	trans	-68.6	-44.3	167.6	-74.8	-157.6	-73.7	0	0	112	T244 V246 R250 R251 L252	T244-M248 PolarHBondContact O-N 3.32Å; V246-M248 PolarHBondContact O-N 3.05Å; M248-R250 PolarHBondContact O-N 3.44Å; M248-R251 PolarHBondContact O-N 2.96Å; M248-R251 VanDerWaalsContact O-N 3.12Å; M248-L252 PolarHBondContact O-N 3.13Å
249	R	47.7	Very low	47.1	Very low	172 Å²	172	125 Å²	125	65%	0.649	58%	0.581	S	S	*	*	H	α-helix	trans	-55.8	-48.1	171.7	-91.7	-178	166	179.4	-5.8	111.6	R245 V246 R251 L252 F253	R245-R249 PolarHBondContact O-N 3.32Å; V246-R249 PolarHBondContact O-N 3.22Å; R249-R251 PolarHBondContact O-N 3.32Å; R249-L252 WeakPolarHBondContact O-CB 3.46Å; R249-L252 PolarHBondContact O-N 3.28Å; R249-F253 HydrophobicContact CB-CE2 3.74Å; R249-F253 HydrophobicContact CB-CZ 4.06Å; R249-F253 HydrophobicContact CG-CE2 4.33Å; R249-F253 HydrophobicContact CG-CZ 4.15Å; R249-F253 WeakPolarHBondContact O-CD2 3.35Å; R249-F253 WeakPolarHBondContact O-CG 3.47Å; R249-F253 PolarHBondContact O-N 2.97Å
250	R	54	Low	48.6	Very low	143 Å²	143	119.2 Å²	119.2	54%	0.54	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-15.4	176.5	-72.8	174.3	169.3	175.1	-7	115.6	V246 D247 M248 R254	V246-R250 HydrophobicContact CG1-CG 4.27Å; V246-R250 WeakPolarHBondContact O-CG 3.43Å; V246-R250 PolarHBondContact O-N 2.74Å; D247-R250 IonicContact OD1-NH1 2.68Å; M248-R250 PolarHBondContact O-N 3.44Å; R250-R254 PolarHBondContact O-NE 2.82Å; R250-R254 VanDerWaalsContact O-NE 3.14Å
251	R	58.9	Low	49.3	Very low	190 Å²	190	111.5 Å²	111.5	72%	0.717	53%	0.532	S	S	*	.	H	α-helix	trans	-92.8	-25	169.9	-79.2	179.5	171.5	175.3	-0.7	112.7	D247 M248 R249	D247-R251 WeakPolarHBondContact O-CG 3.29Å; D247-R251 PolarHBondContact O-N 3.27Å; D247-R251 VanDerWaalsContact O-N 3.14Å; M248-R251 PolarHBondContact O-N 2.96Å; M248-R251 VanDerWaalsContact O-N 3.12Å; R249-R251 PolarHBondContact O-N 3.32Å
252	L	47.4	Very low	49.8	Very low	101 Å²	101	113.2 Å²	113.2	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-73.1	-51.9	174.5	-157.5	76.2	0	0	0	110.7	M248 R249 R254 K255 L256	M248-L252 PolarHBondContact O-N 3.13Å; R249-L252 WeakPolarHBondContact O-CB 3.46Å; R249-L252 PolarHBondContact O-N 3.28Å; L252-R254 PolarHBondContact O-N 2.95Å; L252-K255 WeakPolarHBondContact O-CA 3.28Å; L252-K255 VanDerWaalsContact O-CB 3.32Å; L252-K255 WeakPolarHBondContact O-CB 3.42Å; L252-K255 PolarHBondContact O-N 2.93Å; L252-L256 HydrophobicContact CG-CD1 4.14Å; L252-L256 PolarHBondContact O-N 3.04Å
253	F	56.5	Low	50.8	Low	20 Å²	20	109.8 Å²	109.8	9%	0.088	52%	0.515	C	S	.	.	H	α-helix	trans	-55.4	-50.9	179.8	-54.9	-47	0	0	0	111.7	R249 K255 L256 G257 Y258 A261 M264	R249-F253 HydrophobicContact CB-CE2 3.74Å; R249-F253 HydrophobicContact CB-CZ 4.06Å; R249-F253 HydrophobicContact CG-CE2 4.33Å; R249-F253 HydrophobicContact CG-CZ 4.15Å; R249-F253 WeakPolarHBondContact O-CD2 3.35Å; R249-F253 WeakPolarHBondContact O-CG 3.47Å; R249-F253 PolarHBondContact O-N 2.97Å; F253-K255 PolarHBondContact O-N 2.87Å; F253-L256 CarbonylContact O-C 3.54Å; F253-L256 PolarHBondContact O-N 3.13Å; F253-G257 PolarHBondContact O-N 3.41Å; F253-G257 VanDerWaalsContact O-N 3.16Å; F253-Y258 CarbonylContact C-O 3.55Å; F253-Y258 VanDerWaalsContact CB-O 3.27Å; F253-Y258 WeakPolarHBondContact CB-O 3.36Å; F253-Y258 PolarHBondContact O-N 2.78Å; F253-Y258 VanDerWaalsContact O-N 3.1Å; F253-Y258 VanDerWaalsContact O-O 3.08Å; F253-A261 HydrophobicContact CE1-CB 4.15Å; F253-A261 HydrophobicContact CE2-CB 3.67Å; F253-A261 VanDerWaalsContact CZ-CA 3.47Å; F253-A261 HydrophobicContact CZ-CB 3.41Å; F253-A261 VanDerWaalsContact CZ-CB 3.41Å; F253-M264 HydrophobicContact CD1-CB 4.5Å; F253-M264 HydrophobicContact CD1-SD 3.97Å; F253-M264 HydrophobicContact CE1-SD 3.81Å
254	R	56.3	Low	51.2	Low	188 Å²	188	104.1 Å²	104.1	71%	0.709	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-10.7	176.1	-83	-172.6	-73.8	-167.1	-6.1	115.4	R250 L252 Y258	R250-R254 PolarHBondContact O-NE 2.82Å; R250-R254 VanDerWaalsContact O-NE 3.14Å; L252-R254 PolarHBondContact O-N 2.95Å; R254-Y258 PolarHBondContact N-O 3.47Å
255	K	54.9	Low	50.9	Low	185 Å²	185	108.6 Å²	108.6	80%	0.804	50%	0.502	S	S	*	.	H	α-helix	trans	-92.4	-17.8	171.4	-111.3	-171.9	173.2	-168.7	0	113.4	L252 F253	L252-K255 WeakPolarHBondContact O-CA 3.28Å; L252-K255 VanDerWaalsContact O-CB 3.32Å; L252-K255 WeakPolarHBondContact O-CB 3.42Å; L252-K255 PolarHBondContact O-N 2.93Å; F253-K255 PolarHBondContact O-N 2.87Å
256	L	44.4	Very low	51	Low	98 Å²	98	104.9 Å²	104.9	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-105.5	-0	-177.6	-64.5	170.5	0	0	0	112.4	L252 F253 Y258	L252-L256 HydrophobicContact CG-CD1 4.14Å; L252-L256 PolarHBondContact O-N 3.04Å; F253-L256 CarbonylContact O-C 3.54Å; F253-L256 PolarHBondContact O-N 3.13Å; L256-Y258 HydrophobicContact CB-CD2 3.7Å; L256-Y258 HydrophobicContact CB-CE2 3.94Å
257	G	55.3	Low	50.6	Low	65 Å²	65	104.3 Å²	104.3	67%	0.67	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	-19.1	-178.6	0	0	0	0	0	114.3	F253	F253-G257 PolarHBondContact O-N 3.41Å; F253-G257 VanDerWaalsContact O-N 3.16Å
258	Y	55.4	Low	49.6	Very low	66 Å²	66	106.6 Å²	106.6	26%	0.259	50%	0.503	S	S	.	.			trans	-81.5	138.6	-175.5	-51.2	-65.7	0	0	0	113.2	F253 R254 L256 E263 M264 S267	F253-Y258 CarbonylContact C-O 3.55Å; F253-Y258 VanDerWaalsContact CB-O 3.27Å; F253-Y258 WeakPolarHBondContact CB-O 3.36Å; F253-Y258 PolarHBondContact O-N 2.78Å; F253-Y258 VanDerWaalsContact O-N 3.1Å; F253-Y258 VanDerWaalsContact O-O 3.08Å; R254-Y258 PolarHBondContact N-O 3.47Å; L256-Y258 HydrophobicContact CB-CD2 3.7Å; L256-Y258 HydrophobicContact CB-CE2 3.94Å; Y258-E263 HydrophobicContact CD1-CG 4.34Å; Y258-M264 HydrophobicContact CD1-CB 4.39Å; Y258-M264 HydrophobicContact CD2-CB 3.79Å; Y258-M264 HydrophobicContact CD2-CG 3.73Å; Y258-M264 HydrophobicContact CE2-CB 4.24Å; Y258-M264 HydrophobicContact CE2-CG 3.81Å; Y258-M264 HydrophobicContact CG-CB 3.88Å; Y258-M264 HydrophobicContact CG-CG 4.33Å; Y258-S267 WeakPolarHBondContact CE1-OG 3.49Å; Y258-S267 VanDerWaalsContact CZ-OG 3.31Å; Y258-S267 PolarHBondContact OH-OG 3.47Å
259	K	56.7	Low	48.9	Very low	168 Å²	168	105.2 Å²	105.2	73%	0.73	50%	0.497	S	S	*	.	S	Bend	trans	-83.8	-25	176.8	-47.3	171	-164	96.9	0	111.5	E263	K259-E263 WeakPolarHBondContact CA-OE2 3.45Å; K259-E263 WeakPolarHBondContact CB-OE2 3.46Å; K259-E263 WeakPolarHBondContact CG-OE2 3.49Å; K259-E263 PolarHBondContact N-OE2 2.95Å; K259-E263 IonicContact NZ-OE1 2.71Å; K259-E263 PolarHBondContact NZ-OE1 3.43Å; K259-E263 IonicContact NZ-OE2 3.81Å
260	S	58.3	Low	48	Very low	48 Å²	48	102 Å²	102	34%	0.336	50%	0.497	S	S	.	.	S	Bend	trans	-145.3	168.1	-179.2	75.3	0	0	0	0	113.5	N262 E263 M264	S260-N262 VanDerWaalsContact C-N 3.29Å; S260-N262 PolarHBondContact OG-N 3.44Å; S260-E263 PolarHBondContact O-N 2.86Å; S260-E263 PolarHBondContact OG-N 2.94Å; S260-M264 PolarHBondContact O-N 3.05Å
261	A	44.6	Very low	46.6	Very low	34 Å²	34	99.5 Å²	99.5	28%	0.281	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-39.4	170.7	0	0	0	0	0	111.7	F253 E263 M264 Y265	F253-A261 HydrophobicContact CE1-CB 4.15Å; F253-A261 HydrophobicContact CE2-CB 3.67Å; F253-A261 VanDerWaalsContact CZ-CA 3.47Å; F253-A261 HydrophobicContact CZ-CB 3.41Å; F253-A261 VanDerWaalsContact CZ-CB 3.41Å; A261-E263 VanDerWaalsContact C-N 3.33Å; A261-E263 PolarHBondContact O-N 2.72Å; A261-M264 PolarHBondContact O-N 2.82Å; A261-Y265 PolarHBondContact O-N 2.91Å
262	N	46.8	Very low	45.1	Very low	114 Å²	114	97.2 Å²	97.2	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-66.5	-35.3	179	-63.9	36.7	0	0	0	111.4	S260 M264 Y265 L266	S260-N262 VanDerWaalsContact C-N 3.29Å; S260-N262 PolarHBondContact OG-N 3.44Å; N262-M264 VanDerWaalsContact C-N 3.33Å; N262-M264 PolarHBondContact O-N 3.5Å; N262-Y265 PolarHBondContact O-N 2.88Å; N262-L266 WeakPolarHBondContact O-CB 3.06Å; N262-L266 WeakPolarHBondContact O-CD1 3.49Å; N262-L266 WeakPolarHBondContact O-CG 3.09Å; N262-L266 PolarHBondContact O-N 3.04Å
263	E	54.6	Low	44.1	Very low	61 Å²	61	98.8 Å²	98.8	29%	0.285	52%	0.517	S	S	.	.	H	α-helix	trans	-69.7	-32.4	179.5	-160.9	173.9	-152.2	0	0	112	Y258 K259 S260 A261 S267	Y258-E263 HydrophobicContact CD1-CG 4.34Å; K259-E263 WeakPolarHBondContact CA-OE2 3.45Å; K259-E263 WeakPolarHBondContact CB-OE2 3.46Å; K259-E263 WeakPolarHBondContact CG-OE2 3.49Å; K259-E263 PolarHBondContact N-OE2 2.95Å; K259-E263 IonicContact NZ-OE1 2.71Å; K259-E263 PolarHBondContact NZ-OE1 3.43Å; K259-E263 IonicContact NZ-OE2 3.81Å; S260-E263 PolarHBondContact O-N 2.86Å; S260-E263 PolarHBondContact OG-N 2.94Å; A261-E263 VanDerWaalsContact C-N 3.33Å; A261-E263 PolarHBondContact O-N 2.72Å; E263-S267 WeakPolarHBondContact O-CB 3.29Å; E263-S267 PolarHBondContact O-N 3.24Å; E263-S267 PolarHBondContact O-OG 2.77Å
264	M	45.3	Very low	42.7	Very low	40 Å²	40	103.5 Å²	103.5	20%	0.197	55%	0.552	C	S	.	*	H	α-helix	trans	-68.7	-51.2	169.7	-169.3	-172.1	113	0	0	111	F253 Y258 S260 A261 N262 L266 S267 E268	F253-M264 HydrophobicContact CD1-CB 4.5Å; F253-M264 HydrophobicContact CD1-SD 3.97Å; F253-M264 HydrophobicContact CE1-SD 3.81Å; Y258-M264 HydrophobicContact CD1-CB 4.39Å; Y258-M264 HydrophobicContact CD2-CB 3.79Å; Y258-M264 HydrophobicContact CD2-CG 3.73Å; Y258-M264 HydrophobicContact CE2-CB 4.24Å; Y258-M264 HydrophobicContact CE2-CG 3.81Å; Y258-M264 HydrophobicContact CG-CB 3.88Å; Y258-M264 HydrophobicContact CG-CG 4.33Å; S260-M264 PolarHBondContact O-N 3.05Å; A261-M264 PolarHBondContact O-N 2.82Å; N262-M264 VanDerWaalsContact C-N 3.33Å; N262-M264 PolarHBondContact O-N 3.5Å; M264-L266 VanDerWaalsContact C-N 3.26Å; M264-L266 PolarHBondContact O-N 2.94Å; M264-S267 WeakPolarHBondContact CA-OG 3.49Å; M264-S267 PolarHBondContact O-N 3.48Å; M264-S267 VanDerWaalsContact O-N 3.14Å; M264-S267 PolarHBondContact O-OG 2.85Å; M264-E268 VanDerWaalsContact CE-OE2 3.26Å; M264-E268 WeakPolarHBondContact CE-OE2 3.33Å; M264-E268 PolarHBondContact O-N 2.81Å
265	Y	37.9	Very low	41.4	Very low	161 Å²	161	104.1 Å²	104.1	63%	0.631	56%	0.563	S	S	*	*	H	α-helix	trans	-58.3	-36.6	176.4	-114	-88.8	0	0	0	112.6	A261 N262 N269	A261-Y265 PolarHBondContact O-N 2.91Å; N262-Y265 PolarHBondContact O-N 2.88Å; Y265-N269 VanDerWaalsContact O-CB 3.31Å; Y265-N269 WeakPolarHBondContact O-CB 3.35Å; Y265-N269 PolarHBondContact O-N 3.11Å; Y265-N269 VanDerWaalsContact O-N 3.07Å; Y265-N269 PolarHBondContact O-ND2 3.25Å
266	L	43.2	Very low	40.2	Very low	110 Å²	110	100.1 Å²	100.1	58%	0.576	56%	0.558	S	S	*	*	H	α-helix	trans	-71.8	-42.9	176.2	-72.8	164	0	0	0	110.7	N262 M264 E268 N269 T270	N262-L266 WeakPolarHBondContact O-CB 3.06Å; N262-L266 WeakPolarHBondContact O-CD1 3.49Å; N262-L266 WeakPolarHBondContact O-CG 3.09Å; N262-L266 PolarHBondContact O-N 3.04Å; M264-L266 VanDerWaalsContact C-N 3.26Å; M264-L266 PolarHBondContact O-N 2.94Å; L266-E268 PolarHBondContact O-N 3.05Å; L266-N269 PolarHBondContact O-N 3.13Å; L266-T270 WeakPolarHBondContact O-CB 3.22Å; L266-T270 VanDerWaalsContact O-CG2 3.29Å; L266-T270 WeakPolarHBondContact O-CG2 3.23Å; L266-T270 PolarHBondContact O-N 3.3Å; L266-T270 PolarHBondContact O-OG1 2.77Å
267	S	40.6	Very low	39.4	Very low	53 Å²	53	103.7 Å²	103.7	37%	0.371	58%	0.578	S	S	.	*	H	α-helix	trans	-66.1	-22.1	175.1	61.3	0	0	0	0	114.6	Y258 E263 M264	Y258-S267 WeakPolarHBondContact CE1-OG 3.49Å; Y258-S267 VanDerWaalsContact CZ-OG 3.31Å; Y258-S267 PolarHBondContact OH-OG 3.47Å; E263-S267 WeakPolarHBondContact O-CB 3.29Å; E263-S267 PolarHBondContact O-N 3.24Å; E263-S267 PolarHBondContact O-OG 2.77Å; M264-S267 WeakPolarHBondContact CA-OG 3.49Å; M264-S267 PolarHBondContact O-N 3.48Å; M264-S267 VanDerWaalsContact O-N 3.14Å; M264-S267 PolarHBondContact O-OG 2.85Å
268	E	36	Very low	38.1	Very low	119 Å²	119	103.8 Å²	103.8	56%	0.556	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-5.4	177.9	-68.2	173.5	153	0	0	112.8	M264 L266	M264-E268 VanDerWaalsContact CE-OE2 3.26Å; M264-E268 WeakPolarHBondContact CE-OE2 3.33Å; M264-E268 PolarHBondContact O-N 2.81Å; L266-E268 PolarHBondContact O-N 3.05Å
269	N	31.9	Very low	36.7	Very low	74 Å²	74	111.7 Å²	111.7	40%	0.396	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.8	3.2	178	-66.2	-95.4	0	0	0	114.4	Y265 L266 S271 L272	Y265-N269 VanDerWaalsContact O-CB 3.31Å; Y265-N269 WeakPolarHBondContact O-CB 3.35Å; Y265-N269 PolarHBondContact O-N 3.11Å; Y265-N269 VanDerWaalsContact O-N 3.07Å; Y265-N269 PolarHBondContact O-ND2 3.25Å; L266-N269 PolarHBondContact O-N 3.13Å; N269-S271 PolarHBondContact O-N 3.03Å; N269-L272 PolarHBondContact O-N 3.02Å
270	T	28.3	Very low	35.4	Very low	103 Å²	103	110.8 Å²	110.8	63%	0.632	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	52.8	168.3	44.4	0	0	0	0	112.7	L266	L266-T270 WeakPolarHBondContact O-CB 3.22Å; L266-T270 VanDerWaalsContact O-CG2 3.29Å; L266-T270 WeakPolarHBondContact O-CG2 3.23Å; L266-T270 PolarHBondContact O-N 3.3Å; L266-T270 PolarHBondContact O-OG1 2.77Å
271	S	26.2	Very low	34	Very low	92 Å²	92	116.1 Å²	116.1	64%	0.643	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.8	11.5	156.2	67.1	0	0	0	0	112.5	N269	N269-S271 PolarHBondContact O-N 3.03Å
272	L	26.2	Very low	33.1	Very low	142 Å²	142	122 Å²	122	74%	0.743	66%	0.663	S	S	*	*	S	Bend	trans	-163.7	81.6	-178.6	-113.9	163	0	0	0	113.6	N269	N269-L272 PolarHBondContact O-N 3.02Å
273	T	26.7	Very low	32.1	Very low	134 Å²	134	121.9 Å²	121.9	82%	0.822	68%	0.678	S	S	*	*			trans	-167	100.3	147.3	46.6	0	0	0	0	113.2
274	S	27.6	Very low	30.7	Very low	119 Å²	119	122.6 Å²	122.6	83%	0.832	70%	0.702	S	S	*	*			trans	-161.1	122.8	146.5	57.1	0	0	0	0	107.5
275	E	29.4	Very low	29.8	Very low	200 Å²	200	129.3 Å²	129.3	94%	0.935	73%	0.725	S	S	*	*			cis	-128.5	159.2	8.8	-59.6	-178.8	122.6	0	0	111.7
276	S	29.5	Very low	29.2	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	74%	0.735	S	S	*	*			trans	-138.1	129	165.4	61	0	0	0	0	109.9
277	N	27.8	Very low	28.4	Very low	173 Å²	173	135.7 Å²	135.7	93%	0.925	75%	0.746	S	S	*	*			trans	174.7	127.7	154.2	-95.4	-39.2	0	0	0	112.9
278	G	26.3	Very low	27.6	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	76%	0.76	S	S	*	*			trans	70	134	161.5	0	0	0	0	0	116.3
279	Y	27.9	Very low	26.9	Very low	233 Å²	233	140.3 Å²	140.3	91%	0.914	77%	0.772	S	S	*	*			cis	-145.3	154.9	22.8	-99.8	-97.6	0	0	0	112.1
280	I	28.2	Very low	26.6	Very low	149 Å²	149	143 Å²	143	76%	0.764	79%	0.791	S	S	*	*			trans	-73.6	126.6	163	-62.6	164.5	0	0	0	108.4
281	N	28.6	Very low	26.4	Very low	159 Å²	159	144.6 Å²	144.6	85%	0.85	80%	0.795	S	S	*	*			trans	-170.1	156.6	139.7	-97.3	-31.3	0	0	0	112.3
282	N	26.5	Very low	26.4	Very low	159 Å²	159	145.8 Å²	145.8	85%	0.85	80%	0.798	S	S	*	*			trans	-90.5	164.4	-172.2	-76.6	-39.4	0	0	0	114.2
283	A	25.3	Very low	26.3	Very low	111 Å²	111	145.8 Å²	145.8	92%	0.917	80%	0.804	S	S	*	*			trans	74.2	126.2	161.8	0	0	0	0	0	117.9
284	G	25.1	Very low	26.4	Very low	76 Å²	76	144.6 Å²	144.6	78%	0.784	80%	0.799	S	S	*	*			trans	-176.4	36.9	-178.4	0	0	0	0	0	115	F286	G284-F286 PolarHBondContact O-N 3Å
285	R	26.1	Very low	26.4	Very low	181 Å²	181	146.1 Å²	146.1	68%	0.683	80%	0.798	S	S	*	*			trans	-72.3	110.5	179	-177.5	-166.1	-164	-178.9	9	110.5
286	F	25	Very low	26.3	Very low	193 Å²	193	148.2 Å²	148.2	85%	0.846	80%	0.797	S	S	*	*			trans	-137.5	120.9	165.6	-104.2	-82.5	0	0	0	113	G284	G284-F286 PolarHBondContact O-N 3Å
287	R	26.9	Very low	26.2	Very low	212 Å²	212	152.6 Å²	152.6	80%	0.8	80%	0.803	S	S	*	*			trans	-84.5	135	150.3	-94	-174.3	174.8	177.1	-0.3	107.1
288	S	23.5	Very low	26.2	Very low	96 Å²	96	152.2 Å²	152.2	67%	0.671	80%	0.799	S	S	*	*			trans	-160.6	107.7	146.6	53.8	0	0	0	0	105.5
289	E	22.8	Very low	26.3	Very low	173 Å²	173	156 Å²	156	81%	0.808	80%	0.797	S	S	*	*				72.2	132.8	72.1	-69.4	-179.9	169.4	0	0	113.3	N291	E289-N291 PolarHBondContact O-N 2.66Å
290	V	25.3	Very low	26.2	Very low	130 Å²	130	151.8 Å²	151.8	79%	0.788	79%	0.786	S	S	*	*	S	Bend	trans	-49.6	112.8	166.2	177.8	0	0	0	0	110.3
291	N	24.3	Very low	26.4	Very low	136 Å²	136	150.6 Å²	150.6	73%	0.727	79%	0.786	S	S	*	*				174.8	145.3	123.6	-94.7	-53.3	0	0	0	115.5	E289	E289-N291 PolarHBondContact O-N 2.66Å
292	V	24.8	Very low	26.5	Very low	117 Å²	117	148.5 Å²	148.5	71%	0.709	78%	0.783	S	S	*	*			trans	40.7	110.7	146.6	-173	0	0	0	0	119.3
293	V	25.7	Very low	26.9	Very low	143 Å²	143	145.9 Å²	145.9	87%	0.867	78%	0.775	S	S	*	*			trans	-105.4	113.9	162.4	178.7	0	0	0	0	110.6
294	P	27.8	Very low	27.2	Very low	108 Å²	108	147.2 Å²	147.2	70%	0.701	77%	0.767	S	S	*	*			trans	-103.1	140.9	171.9	34.3	-26.3	0	0	0	113.1
295	N	27.5	Very low	27.5	Very low	152 Å²	152	155 Å²	155	81%	0.813	77%	0.774	S	S	*	*			trans	-72.2	145.5	-176.3	-83.9	-75.7	0	0	0	115.3
296	R	28.1	Very low	27.5	Very low	243 Å²	243	153.3 Å²	153.3	92%	0.917	78%	0.778	S	S	*	*			trans	-169.2	101.9	136.3	-100.5	154.9	-166.9	-157.7	3.6	109.3
297	K	27.8	Very low	27.9	Very low	193 Å²	193	152.2 Å²	152.2	84%	0.839	78%	0.781	S	S	*	*				56.3	98.4	82.3	-79.8	-163.3	173	-174.9	0	115.6
298	I	27.6	Very low	28	Very low	165 Å²	165	146.2 Å²	146.2	85%	0.846	77%	0.772	S	S	*	*			trans	-131.1	103.9	138.1	-63.5	-173.5	0	0	0	109.4
299	K	27.2	Very low	28.3	Very low	146 Å²	146	149.3 Å²	149.3	64%	0.635	78%	0.779	S	S	*	*			trans	37.5	121.5	140.8	-65.9	-175.9	150.1	-75.8	0	122.5
300	E	27.1	Very low	28.5	Very low	146 Å²	146	145.7 Å²	145.7	68%	0.682	77%	0.773	S	S	*	*				60.3	127.8	119.2	-61.2	147	-157.9	0	0	118.4
301	T	31.7	Very low	28.6	Very low	124 Å²	124	148 Å²	148	76%	0.761	77%	0.772	S	S	*	*			cis	-155.9	147.3	44.5	34.9	0	0	0	0	115.6
302	S	31.3	Very low	28.8	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	77%	0.771	S	S	*	*			trans	75.1	148.7	142.1	-63.9	0	0	0	0	120.9
303	P	34.8	Very low	29	Very low	105 Å²	105	148 Å²	148	68%	0.682	77%	0.768	S	S	*	*				-142.6	-169.7	-124.4	44.3	-25.8	0	0	0	118
304	N	30.3	Very low	29.2	Very low	139 Å²	139	145.8 Å²	145.8	74%	0.743	76%	0.758	S	S	*	*			trans	83.4	99.8	159.9	-58.5	-15.4	0	0	0	119.1
305	Y	31.9	Very low	29.2	Very low	238 Å²	238	148.5 Å²	148.5	93%	0.933	77%	0.766	S	S	*	*				-162.2	129.8	98.1	-106.7	-76.2	0	0	0	109.9
306	L	26.5	Very low	29.4	Very low	146 Å²	146	151 Å²	151	76%	0.764	77%	0.77	S	S	*	*			trans	-155.2	133.7	-177.4	-145.7	173.1	0	0	0	108.4
307	N	33	Very low	29.3	Very low	170 Å²	170	145.6 Å²	145.6	91%	0.909	76%	0.764	S	S	*	*			trans	-143	87.8	176.1	-119.5	-10.8	0	0	0	110.7
308	S	28.4	Very low	29.3	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	76%	0.759	S	S	*	*			trans	-104.7	131.9	173	51.9	0	0	0	0	110
309	I	29.9	Very low	29.6	Very low	160 Å²	160	142 Å²	142	82%	0.821	75%	0.747	S	S	*	*			trans	-92.4	104.2	172.5	-62.3	178.8	0	0	0	109.1	F311	I309-F311 HydrophobicContact CG2-CD2 4.16Å; I309-F311 HydrophobicContact CG2-CE2 4.12Å
310	S	27.3	Very low	29.8	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	76%	0.755	S	S	*	*			trans	-124.3	114.9	168.5	55.2	0	0	0	0	109	D312	S310-D312 PolarHBondContact O-N 3.42Å
311	F	28.2	Very low	30.2	Very low	178 Å²	178	138.4 Å²	138.4	78%	0.781	75%	0.754	S	S	*	*			trans	-85	88.7	173	-86.6	-77.9	0	0	0	110.4	I309	I309-F311 HydrophobicContact CG2-CD2 4.16Å; I309-F311 HydrophobicContact CG2-CE2 4.12Å
312	D	28.9	Very low	30	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	76%	0.756	S	S	*	*			trans	-85.9	144.3	164.5	-165.4	-14.8	0	0	0	109.7	S310 S314	S310-D312 PolarHBondContact O-N 3.42Å; D312-S314 PolarHBondContact OD1-OG 2.69Å
313	L	27.3	Very low	30	Very low	122 Å²	122	139.5 Å²	139.5	64%	0.639	75%	0.753	S	S	*	*			trans	-127.8	69.3	-172	-121.7	176.4	0	0	0	110.3
314	S	30.7	Very low	29.8	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	76%	0.761	S	S	*	*			trans	-122.1	82.6	-176.9	-72	0	0	0	0	112.5	D312 K316	D312-S314 PolarHBondContact OD1-OG 2.69Å; S314-K316 PolarHBondContact O-N 2.75Å
315	L	28	Very low	30.1	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	76%	0.755	S	S	*	*			trans	-75	109.5	168	-82.1	167.2	0	0	0	110.2
316	K	31.5	Very low	30.2	Very low	205 Å²	205	137.2 Å²	137.2	89%	0.891	75%	0.749	S	S	*	*			trans	-88.1	135.1	170.1	-85.9	-174.7	174.2	177.9	0	111.7	S314	S314-K316 PolarHBondContact O-N 2.75Å
317	V	26.6	Very low	30.7	Very low	130 Å²	130	135.8 Å²	135.8	79%	0.788	74%	0.742	S	S	*	*			trans	-92.5	163.6	173.6	-172.1	0	0	0	0	109.4
318	K	28.2	Very low	30.8	Very low	171 Å²	171	134.6 Å²	134.6	74%	0.743	73%	0.73	S	S	*	*			trans	89.8	137.6	169.6	-59.5	-175.9	148.7	-93.6	0	116.5
319	D	33	Very low	31	Very low	112 Å²	112	137.2 Å²	137.2	60%	0.599	74%	0.737	S	S	*	*			cis	-157.6	135.9	-6.2	-101.9	-26.9	0	0	0	112.8
320	S	31.7	Very low	31	Very low	112 Å²	112	134 Å²	134	78%	0.783	73%	0.728	S	S	*	*			trans	66.2	169.7	151.2	81.9	0	0	0	0	120.4
321	P	35.2	Very low	31.1	Very low	103 Å²	103	135 Å²	135	67%	0.669	73%	0.73	S	S	*	*			cis	-130.4	152.3	-11.5	24.4	-2	0	0	0	116.9
322	I	27.9	Very low	31.1	Very low	156 Å²	156	134.2 Å²	134.2	80%	0.8	73%	0.729	S	S	*	*			trans	53.3	112.5	140	-54.9	166.5	0	0	0	120
323	S	31.7	Very low	31.2	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	72%	0.724	S	S	*	*				-174.5	128	109.7	33.1	0	0	0	0	114.8
324	L	30.4	Very low	31.3	Very low	162 Å²	162	135.8 Å²	135.8	85%	0.848	73%	0.73	S	S	*	*			trans	31.4	136.1	136.5	-64.9	164.6	0	0	0	120.3
325	S	35.3	Very low	31.2	Very low	89 Å²	89	138.2 Å²	138.2	62%	0.622	73%	0.731	S	S	*	*			cis	-173.5	144	7.8	53.7	0	0	0	0	115.6
326	K	35.6	Very low	31.2	Very low	183 Å²	183	136 Å²	136	80%	0.796	72%	0.72	S	S	*	*			trans	69.8	148.4	146.2	-66.6	-179.3	177.4	-179	0	118.4
327	N	36.5	Very low	31.3	Very low	115 Å²	115	132 Å²	132	62%	0.615	71%	0.713	S	S	*	*			cis	-158.7	142.2	3.3	-124	17.6	0	0	0	114.6
328	H	35.6	Very low	31.6	Very low	146 Å²	146	131.6 Å²	131.6	68%	0.676	71%	0.706	S	S	*	*			trans	64.1	125.5	141.4	-73.2	-131.6	0	0	0	120.3
329	L	32.2	Very low	32.1	Very low	142 Å²	142	129.2 Å²	129.2	74%	0.743	70%	0.702	S	S	*	*				79.3	141.6	62.8	-70.7	164.6	0	0	0	113
330	S	28.7	Very low	32.4	Very low	92 Å²	92	130.6 Å²	130.6	64%	0.643	70%	0.704	S	S	*	*			cis	-173.4	140.7	-5.2	47.4	0	0	0	0	114.5
331	V	29.7	Very low	32.9	Very low	120 Å²	120	131.1 Å²	131.1	73%	0.727	70%	0.698	S	S	*	*				50.9	135.3	123.7	-170.9	0	0	0	0	122.2
332	E	28.4	Very low	33.3	Very low	160 Å²	160	133.2 Å²	133.2	75%	0.748	70%	0.704	S	S	*	*			trans	100.3	140.7	145.9	-101.2	171.2	-115.4	0	0	125
333	N	31.3	Very low	34	Very low	114 Å²	114	132.4 Å²	132.4	61%	0.61	70%	0.701	S	S	*	*			trans	81.6	104.2	146	-63.9	-29.3	0	0	0	124.7
334	F	28.2	Very low	34.5	Very low	174 Å²	174	133.8 Å²	133.8	76%	0.763	70%	0.7	S	S	*	*				67.9	126.1	116.1	-93.7	-103	0	0	0	123.8
335	E	29.4	Very low	35	Very low	145 Å²	145	133.3 Å²	133.3	68%	0.678	70%	0.699	S	S	*	*			trans	73.8	122	139.3	-89	-179.1	-150.5	0	0	124.9
336	N	29	Very low	34.9	Very low	120 Å²	120	136 Å²	136	64%	0.642	71%	0.706	S	S	*	*				84.7	134.2	128	-75.4	-25.5	0	0	0	123.2
337	T	33.3	Very low	34.7	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	70%	0.699	S	S	*	*			trans	67.2	141.3	149.1	54.7	0	0	0	0	118.5
338	N	33.2	Very low	34.6	Very low	121 Å²	121	131.7 Å²	131.7	65%	0.647	70%	0.703	S	S	*	*			cis	-164.6	171.4	-13	-128	45.5	0	0	0	109.6
339	D	37.6	Very low	34.3	Very low	120 Å²	120	133.5 Å²	133.5	64%	0.642	71%	0.709	S	S	*	*			trans	65.5	147.7	155.9	-51.9	-18.4	0	0	0	117.8
340	H	40.4	Very low	34.1	Very low	141 Å²	141	132.8 Å²	132.8	65%	0.653	71%	0.706	S	S	*	*			cis	-158.4	150.9	-8.5	-117.6	-57.2	0	0	0	108.2
341	D	41.4	Very low	34.1	Very low	123 Å²	123	134.3 Å²	134.3	66%	0.658	70%	0.698	S	S	*	*			trans	57.7	142.5	144.3	-50.3	-17.2	0	0	0	120.5
342	D	42.8	Very low	34.1	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	70%	0.7	S	S	*	*			cis	-132.8	-173.6	-2.2	-42.3	-92.2	0	0	0	108.2
343	D	43.6	Very low	34	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	69%	0.69	S	S	*	*			cis	-161.6	178.5	-2.7	-144.8	-18.4	0	0	0	110.9
344	D	42.7	Very low	33.7	Very low	135 Å²	135	133.5 Å²	133.5	72%	0.722	70%	0.699	S	S	*	*			trans	50.6	100	155.5	-79.5	-23	0	0	0	123
345	D	39.4	Very low	33.7	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	70%	0.699	S	S	*	*			trans	34.6	116.5	141.4	-71	-5.5	0	0	0	121
346	D	34.5	Very low	33.6	Very low	146 Å²	146	131 Å²	131	78%	0.781	71%	0.706	S	S	*	*			cis	73.3	160.3	19.5	-138.7	25.8	0	0	0	116.6
347	S	31	Very low	33.4	Very low	91 Å²	91	129.5 Å²	129.5	64%	0.636	71%	0.705	S	S	*	*				-148.6	-133.2	-88.2	68	0	0	0	0	113.3
348	V	34	Very low	33.2	Very low	116 Å²	116	130.8 Å²	130.8	70%	0.703	71%	0.707	S	S	*	*			trans	60.4	112	170	-162.1	0	0	0	0	116.5
349	K	29.4	Very low	33	Very low	183 Å²	183	132.2 Å²	132.2	80%	0.796	71%	0.71	S	S	*	*			cis	82.1	145	47.1	-68.8	-175.2	177.9	170.8	0	116.9
350	N	28.9	Very low	32.5	Very low	127 Å²	127	131.8 Å²	131.8	68%	0.679	71%	0.707	S	S	*	*			trans	79.5	120	157.2	-63.3	-8.4	0	0	0	120.6
351	Y	27.4	Very low	31.9	Very low	125 Å²	125	135.7 Å²	135.7	49%	0.49	72%	0.716	S	S	.	*				25.1	125.8	127.7	-57.4	-71.3	0	0	0	117.8	T394 Q395	Y351-T394 HydrophobicContact CD1-CG2 3.52Å; Y351-T394 HydrophobicContact CE1-CG2 3.71Å; Y351-T394 HydrophobicContact CG-CG2 4.35Å; Y351-Q395 HydrophobicContact CE2-CB 4.36Å; Y351-Q395 HydrophobicContact CE2-CG 4.37Å; Y351-Q395 PolarHBondContact OH-NE2 2.99Å; Y351-Q395 PolarHBondContact OH-OE1 3.1Å
352	D	29.8	Very low	31.3	Very low	141 Å²	141	134.1 Å²	134.1	75%	0.754	71%	0.714	S	S	*	*				-154.7	165.9	78.8	-125.2	-27.5	0	0	0	119.9
353	C	26.1	Very low	30.9	Very low	80 Å²	80	133.8 Å²	133.8	54%	0.541	71%	0.712	S	S	.	*			trans	8.2	135.5	152.4	-75.6	0	0	0	0	126
354	L	26.7	Very low	30.2	Very low	155 Å²	155	136.1 Å²	136.1	81%	0.812	72%	0.719	S	S	*	*				74	157.3	129.8	-62.8	170.3	0	0	0	122.2
355	S	28.1	Very low	29.8	Very low	109 Å²	109	133 Å²	133	76%	0.762	72%	0.718	S	S	*	*			trans	70.2	130.8	176	-19.8	0	0	0	0	115.1
356	I	25.6	Very low	29.3	Very low	158 Å²	158	130.9 Å²	130.9	81%	0.81	71%	0.711	S	S	*	*			cis	89.7	127.6	30.6	-61.6	176.3	0	0	0	113.8
357	S	26	Very low	29.3	Very low	89 Å²	89	132 Å²	132	62%	0.622	72%	0.716	S	S	*	*			trans	66.7	128.1	169.2	42.9	0	0	0	0	119.5
358	D	28.5	Very low	29.1	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	72%	0.718	S	S	*	*			trans	69.3	144.2	136.1	-53.4	-12.5	0	0	0	119.1
359	E	28.2	Very low	29.1	Very low	151 Å²	151	135.2 Å²	135.2	71%	0.706	72%	0.721	S	S	*	*			cis	-157.9	167.4	-2.1	-129.6	-164.5	145.8	0	0	112.4
360	L	28.8	Very low	29.2	Very low	111 Å²	111	134.1 Å²	134.1	58%	0.581	72%	0.719	S	S	*	*			trans	58.6	117.2	149	-63	165.6	0	0	0	123
361	R	27.5	Very low	29.6	Very low	223 Å²	223	132.6 Å²	132.6	84%	0.842	72%	0.716	S	S	*	*				75.3	150.3	126.7	-70.3	-176.4	-178.2	-176	3.6	120.3
362	S	29.5	Very low	29.8	Very low	89 Å²	89	128.3 Å²	128.3	62%	0.622	70%	0.704	S	S	*	*			cis	-164.8	-176.4	-12.6	51.5	0	0	0	0	112.1
363	N	32.5	Very low	29.9	Very low	141 Å²	141	124 Å²	124	75%	0.754	69%	0.693	S	S	*	*			trans	89.9	145.4	165.1	-48.4	-1.5	0	0	0	116.6
364	E	30.5	Very low	30.2	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.874	71%	0.713	S	S	*	*			cis	-169.9	171	-49.9	-118.5	-173.6	-168.3	0	0	108.9
365	G	33.5	Very low	30.5	Very low	69 Å²	69	126.8 Å²	126.8	71%	0.711	70%	0.7	S	S	*	*			trans	104.5	71.6	179.9	0	0	0	0	0	113.4
366	V	29.9	Very low	30.8	Very low	110 Å²	110	125.5 Å²	125.5	67%	0.667	68%	0.684	S	S	*	*				61.1	106.4	59.5	-176.7	0	0	0	0	113.3
367	L	32.5	Very low	31.3	Very low	170 Å²	170	122.8 Å²	122.8	89%	0.89	68%	0.675	S	S	*	*				-176.6	156.5	128	-96.6	177.4	0	0	0	110.7
368	N	28.6	Very low	31.5	Very low	124 Å²	124	127 Å²	127	66%	0.663	69%	0.685	S	S	*	*				-149.2	173.8	-87.6	-152.8	-14.2	0	0	0	111.4
369	L	32.2	Very low	31.6	Very low	149 Å²	149	128.1 Å²	128.1	78%	0.78	69%	0.69	S	S	*	*			trans	74.7	145.1	165.7	-53.4	164.4	0	0	0	118.7
370	H	32.7	Very low	31.8	Very low	161 Å²	161	128 Å²	128	75%	0.745	69%	0.693	S	S	*	*			cis	-162.6	148.6	-31.1	-157.3	-97.3	0	0	0	110.6
371	P	37.4	Very low	31.9	Very low	94 Å²	94	130.4 Å²	130.4	61%	0.61	71%	0.706	S	S	*	*			trans	-114.2	-179	-172	42.2	-35.7	0	0	0	116
372	S	31.9	Very low	31.9	Very low	36 Å²	36	127.9 Å²	127.9	25%	0.252	70%	0.703	S	S	.	*			trans	-173.4	152.7	157.1	48	0	0	0	0	113.2	N1357	S372-N1357 PolarHBondContact N-ND2 2.74Å; S372-N1357 PolarHBondContact O-ND2 3.17Å; S372-N1357 PolarHBondContact OG-ND2 3.48Å
373	G	31.5	Very low	31.9	Very low	51 Å²	51	133.6 Å²	133.6	53%	0.526	72%	0.717	S	S	.	*			trans	120.1	71.4	160.4	0	0	0	0	0	119.5	N1358	G373-N1358 PolarHBondContact O-ND2 3.22Å
374	F	31.2	Very low	31.8	Very low	217 Å²	217	137.9 Å²	137.9	95%	0.952	72%	0.723	S	S	*	*			trans	-84.1	175.7	156.4	-81.4	-102.7	0	0	0	109.5
375	S	33.8	Very low	31.7	Very low	76 Å²	76	137 Å²	137	53%	0.531	73%	0.725	S	S	.	*			cis	-133.9	-155.4	9.2	53.8	0	0	0	0	109.5
376	D	34.1	Very low	31.4	Very low	82 Å²	82	145 Å²	145	44%	0.439	73%	0.733	S	S	.	*			cis	-161.3	164.7	9	-125.3	-51.7	0	0	0	106.4	N83	N83-D376 PolarHBondContact ND2-OD2 3.2Å; N83-D376 WeakPolarHBondContact OD1-CB 3.09Å; N83-D376 PolarHBondContact OD1-OD2 3.37Å
377	T	35.7	Very low	31.4	Very low	100 Å²	100	148 Å²	148	61%	0.613	75%	0.745	S	S	*	*			cis	-133	-176.7	5.5	66.1	0	0	0	0	111.4
378	Q	31	Very low	31.1	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	75%	0.746	S	S	*	*			trans	-138.1	145.3	167.2	-67.2	175.9	-38.9	0	0	110.5
379	L	30.4	Very low	31	Very low	171 Å²	171	148.2 Å²	148.2	90%	0.895	75%	0.75	S	S	*	*			trans	-167.1	153.6	155.4	-112.2	166.3	0	0	0	111.1
380	I	32.9	Very low	30.9	Very low	149 Å²	149	149.8 Å²	149.8	76%	0.764	75%	0.751	S	S	*	*			trans	70.8	56.7	-176.1	-37.3	-178.8	0	0	0	115
381	D	29.7	Very low	30.7	Very low	161 Å²	161	147.7 Å²	147.7	86%	0.861	75%	0.754	S	S	*	*			trans	-109.9	91.6	151	-103.2	-41.2	0	0	0	109
382	H	28.3	Very low	30.2	Very low	170 Å²	170	148.3 Å²	148.3	79%	0.787	76%	0.76	S	S	*	*			trans	-160.9	23.3	168.7	-143.3	-71.9	0	0	0	116.8
383	F	29	Very low	29.8	Very low	209 Å²	209	157.9 Å²	157.9	92%	0.917	79%	0.791	S	S	*	*	S	Bend	trans	-146.1	67.8	179.1	-98.1	-70.6	0	0	0	114.3
384	R	30.2	Very low	29.7	Very low	232 Å²	232	160.1 Å²	160.1	88%	0.875	80%	0.795	S	S	*	*			trans	-154.9	6.3	152.6	-120	166.7	-164.6	128.5	8.1	118.9	R386	R384-R386 PolarHBondContact O-N 2.74Å
385	D	28.6	Very low	29.5	Very low	169 Å²	169	155.2 Å²	155.2	90%	0.904	78%	0.775	S	S	*	*			trans	-75.8	93.4	167.1	-90.8	-35.7	0	0	0	111.8
386	R	27.7	Very low	29.2	Very low	237 Å²	237	159.7 Å²	159.7	89%	0.894	79%	0.787	S	S	*	*	S	Bend	trans	163	85.2	149.1	-92.2	172.1	-168.4	-146.3	4.6	109.8	R384	R384-R386 PolarHBondContact O-N 2.74Å
387	L	29.5	Very low	28.8	Very low	173 Å²	173	160.6 Å²	160.6	91%	0.906	80%	0.8	S	S	*	*			trans	-175.7	51.5	146.7	-102.4	165.5	0	0	0	111.4
388	L	26.3	Very low	28.4	Very low	174 Å²	174	164.1 Å²	164.1	91%	0.911	81%	0.809	S	S	*	*			trans	-134.4	96	172	-90.3	174.6	0	0	0	111.1
389	T	27.7	Very low	28.1	Very low	123 Å²	123	166.5 Å²	166.5	76%	0.755	81%	0.811	S	S	*	*			trans	-163.9	136.2	170.2	43.6	0	0	0	0	107.2
390	K	29.4	Very low	27.7	Very low	183 Å²	183	163.8 Å²	163.8	80%	0.796	81%	0.806	S	S	*	*			cis	-151.7	129.7	-0.1	-99.9	168	179.8	-178.1	0	106.4
391	S	28.8	Very low	27.5	Very low	117 Å²	117	163.9 Å²	163.9	82%	0.818	81%	0.807	S	S	*	*				88.7	152.3	96.4	-57.5	0	0	0	0	115
392	S	25.6	Very low	27.3	Very low	106 Å²	106	164.5 Å²	164.5	74%	0.741	81%	0.805	S	S	*	*			trans	-119.5	171	-173.4	55.5	0	0	0	0	112.4
393	R	25.3	Very low	27.1	Very low	237 Å²	237	165.5 Å²	165.5	89%	0.894	81%	0.81	S	S	*	*			trans	77.2	149	-168.2	-52.5	174	174.6	177.4	-2.9	111.6
394	T	29.4	Very low	26.9	Very low	98 Å²	98	161.3 Å²	161.3	60%	0.601	81%	0.807	S	S	*	*			cis	-131.3	-160.6	27.4	-22.3	0	0	0	0	113.9	Y351	Y351-T394 HydrophobicContact CD1-CG2 3.52Å; Y351-T394 HydrophobicContact CE1-CG2 3.71Å; Y351-T394 HydrophobicContact CG-CG2 4.35Å
395	Q	26.9	Very low	26.9	Very low	114 Å²	114	155.6 Å²	155.6	53%	0.533	80%	0.803	S	S	.	*			trans	-103.3	160.7	-165.8	-82.5	-162.6	-10.2	0	0	116.4	Y351	Y351-Q395 HydrophobicContact CE2-CB 4.36Å; Y351-Q395 HydrophobicContact CE2-CG 4.37Å; Y351-Q395 PolarHBondContact OH-NE2 2.99Å; Y351-Q395 PolarHBondContact OH-OE1 3.1Å
396	Q	26.2	Very low	26.7	Very low	171 Å²	171	158.1 Å²	158.1	80%	0.799	80%	0.801	S	S	*	*			trans	32	110.1	143.5	-61.6	-177.8	-1.5	0	0	120.3
397	S	25.5	Very low	26.7	Very low	100 Å²	100	155 Å²	155	70%	0.699	80%	0.797	S	S	*	*			trans	-160.4	159.7	134.3	-165.5	0	0	0	0	111.8
398	Q	29	Very low	26.5	Very low	174 Å²	174	153.9 Å²	153.9	81%	0.813	80%	0.797	S	S	*	*			trans	20.6	112.5	160.9	-67	152.2	-2.9	0	0	118.4
399	R	23.5	Very low	26.5	Very low	228 Å²	228	149.4 Å²	149.4	86%	0.86	79%	0.793	S	S	*	*				63.2	127.7	69.1	-75	-167.3	170.5	-171.8	-1.3	116.2
400	S	23.3	Very low	26.5	Very low	115 Å²	115	150.8 Å²	150.8	80%	0.804	80%	0.795	S	S	*	*			trans	76.7	150.7	165.4	75	0	0	0	0	117.8
401	L	27.2	Very low	26.2	Very low	150 Å²	150	148.9 Å²	148.9	79%	0.785	79%	0.793	S	S	*	*			trans	68.6	132	-167.8	-55.4	170.3	0	0	0	114.5
402	Q	25.7	Very low	26.1	Very low	174 Å²	174	152.2 Å²	152.2	81%	0.813	80%	0.796	S	S	*	*			cis	-156.5	169.6	-20.3	-143.5	167.6	6.8	0	0	110.2
403	Q	24	Very low	26.1	Very low	192 Å²	192	155.3 Å²	155.3	90%	0.897	80%	0.803	S	S	*	*			trans	-81	125.2	-174.8	-65.4	156.2	-81.9	0	0	113.6
404	S	25.8	Very low	26.1	Very low	121 Å²	121	154.1 Å²	154.1	85%	0.846	80%	0.8	S	S	*	*			trans	-167.4	145.7	144.1	54.9	0	0	0	0	109.2
405	S	30.1	Very low	25.8	Very low	112 Å²	112	154.4 Å²	154.4	78%	0.783	81%	0.806	S	S	*	*			cis	-129.5	106.2	-1.4	56.5	0	0	0	0	111.4
406	Y	24.8	Very low	26.1	Very low	221 Å²	221	154.2 Å²	154.2	87%	0.867	82%	0.815	S	S	*	*	S	Bend	trans	-90.4	159.2	147.5	-88	-97.4	0	0	0	108.2
407	E	25.9	Very low	26	Very low	173 Å²	173	154.5 Å²	154.5	81%	0.808	82%	0.816	S	S	*	*			trans	42.9	109.8	157.4	-61.9	178.2	150.6	0	0	118.9
408	T	25.4	Very low	26.2	Very low	149 Å²	149	157.8 Å²	157.8	91%	0.914	82%	0.824	S	S	*	*				-175.8	131.6	112.5	22.4	0	0	0	0	111.8
409	G	27.2	Very low	26.1	Very low	80 Å²	80	154.6 Å²	154.6	83%	0.825	82%	0.818	S	S	*	*			trans	-164.8	23.2	178.2	0	0	0	0	0	112.5
410	L	27.2	Very low	26.6	Very low	151 Å²	151	149.7 Å²	149.7	79%	0.791	82%	0.816	S	S	*	*			trans	-134.8	153.3	-178.1	-83.1	170.6	0	0	0	109.6
411	N	24.4	Very low	26.8	Very low	144 Å²	144	150.2 Å²	150.2	77%	0.77	82%	0.815	S	S	*	*			trans	70	87.8	174.5	-51.2	-32.4	0	0	0	116.7
412	Q	25.2	Very low	26.8	Very low	186 Å²	186	147.6 Å²	147.6	87%	0.869	81%	0.809	S	S	*	*				-177	109.3	110.1	-98.4	160.1	96.7	0	0	112.2
413	L	26.6	Very low	26.9	Very low	171 Å²	171	144.9 Å²	144.9	90%	0.895	80%	0.804	S	S	*	*				-179.6	143.1	119.5	-96.1	163.9	0	0	0	111.2
414	Y	24.3	Very low	27	Very low	213 Å²	213	142.2 Å²	142.2	84%	0.835	80%	0.795	S	S	*	*			trans	-64.5	141.9	-169.7	-78.6	-111.2	0	0	0	115.2
415	S	24.9	Very low	27.1	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	79%	0.793	S	S	*	*				38.2	156.7	123.3	-51.8	0	0	0	0	122.7
416	P	31.8	Very low	27.1	Very low	110 Å²	110	143.9 Å²	143.9	71%	0.714	79%	0.793	S	S	*	*			cis	-134.3	-177.5	-18.8	34.2	-13.3	0	0	0	114.8
417	E	24.9	Very low	27.3	Very low	178 Å²	178	140.1 Å²	140.1	83%	0.832	79%	0.793	S	S	*	*			trans	8.4	134.8	148.1	-56.1	175	129.7	0	0	121.4
418	I	28.5	Very low	27.5	Very low	169 Å²	169	137.4 Å²	137.4	87%	0.867	79%	0.789	S	S	*	*				-167.9	150	126	-102.7	155.2	0	0	0	111.1
419	P	28.3	Very low	27.7	Very low	106 Å²	106	139.4 Å²	139.4	69%	0.688	79%	0.787	S	S	*	*			trans	-98.8	170.6	-162.9	38.4	-37.2	0	0	0	115.9
420	P	33.5	Very low	27.8	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	77%	0.774	S	S	*	*			trans	-94.1	143.5	-169.8	35.5	-35	0	0	0	115.6
421	T	27.9	Very low	27.9	Very low	126 Å²	126	142.6 Å²	142.6	77%	0.773	78%	0.78	S	S	*	*			trans	-149.1	119.3	167.5	-13.9	0	0	0	0	113.8
422	S	27.2	Very low	28.1	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	77%	0.773	S	S	*	*			trans	50.3	138.4	139.4	64	0	0	0	0	124.7
423	T	26.5	Very low	28.2	Very low	117 Å²	117	134.1 Å²	134.1	72%	0.718	76%	0.759	S	S	*	*			trans	87.1	123.7	135.4	38	0	0	0	0	123.8
424	I	27.8	Very low	28.2	Very low	137 Å²	137	133.4 Å²	133.4	70%	0.703	76%	0.756	S	S	*	*			trans	102	104.9	131.9	-75.3	166.4	0	0	0	121
425	Q	28.1	Very low	28.3	Very low	174 Å²	174	130.2 Å²	130.2	81%	0.813	75%	0.753	S	S	*	*			trans	68	118.7	137.9	-67.3	177.2	-27.9	0	0	124.5
426	A	29	Very low	28.4	Very low	93 Å²	93	132.8 Å²	132.8	77%	0.769	76%	0.759	S	S	*	*			trans	65.2	155.9	133.7	0	0	0	0	0	119.6
427	T	29.7	Very low	28.2	Very low	143 Å²	143	133.8 Å²	133.8	88%	0.877	76%	0.762	S	S	*	*			cis	-145.5	169.5	12.4	-35.6	0	0	0	0	111.3
428	T	28.5	Very low	28.6	Very low	116 Å²	116	129.6 Å²	129.6	71%	0.712	75%	0.749	S	S	*	*			trans	-107.5	142.3	-166.8	-46.2	0	0	0	0	114.9
429	Q	31.2	Very low	28.6	Very low	190 Å²	190	129.3 Å²	129.3	89%	0.888	75%	0.75	S	S	*	*			trans	-157	97.6	148.2	-119.1	163.2	89.2	0	0	115.8
430	T	28.2	Very low	29.1	Very low	88 Å²	88	129.2 Å²	129.2	54%	0.54	74%	0.739	S	S	.	*			trans	1.9	136.1	148.1	49.4	0	0	0	0	123.4
431	F	30.4	Very low	29.8	Very low	210 Å²	210	126.6 Å²	126.6	92%	0.921	72%	0.718	S	S	*	*			trans	-149.1	151.8	138.8	-105.6	-80.4	0	0	0	111.6
432	G	28.8	Very low	31	Very low	61 Å²	61	128.6 Å²	128.6	63%	0.629	72%	0.723	S	S	*	*			trans	47.6	118.6	155.8	0	0	0	0	0	122.2
433	T	26	Very low	32.4	Very low	92 Å²	92	131 Å²	131	56%	0.564	72%	0.724	S	S	*	*			trans	-151.7	109.5	158	47	0	0	0	0	110.5
434	D	27.2	Very low	34.4	Very low	156 Å²	156	127.1 Å²	127.1	83%	0.834	70%	0.697	S	S	*	*			trans	-96.3	102.2	178.8	-61.8	-43.1	0	0	0	111
435	N	25.9	Very low	36.4	Very low	146 Å²	146	123.6 Å²	123.6	78%	0.781	68%	0.676	S	S	*	*			trans	-113.4	73.1	176.4	-79.7	8.7	0	0	0	110.1	V437	N435-V437 PolarHBondContact O-N 3.13Å
436	N	26.1	Very low	38.5	Very low	157 Å²	157	117.9 Å²	117.9	84%	0.84	65%	0.65	S	S	*	*			trans	-91.4	73.4	174.1	-77.4	-8.2	0	0	0	111.3
437	V	29.3	Very low	40.3	Very low	130 Å²	130	113.5 Å²	113.5	79%	0.788	61%	0.614	S	S	*	*			trans	-92.7	104.4	154.9	-179.5	0	0	0	0	106.3	N435	N435-V437 PolarHBondContact O-N 3.13Å
438	T	32.8	Very low	41.5	Very low	91 Å²	91	109.6 Å²	109.6	56%	0.558	59%	0.588	S	S	*	*			trans	-68.6	132.3	176.1	45	0	0	0	0	110.1	F440	T438-F440 WeakPolarHBondContact O-CD2 3.46Å; T438-F440 PolarHBondContact O-N 2.86Å
439	N	27.9	Very low	42.1	Very low	163 Å²	163	108.5 Å²	108.5	87%	0.872	57%	0.574	S	S	*	*			trans	-60.1	113.1	165.4	-72.8	-1	0	0	0	108.3
440	F	38.8	Very low	42.4	Very low	104 Å²	104	103.3 Å²	103.3	46%	0.456	55%	0.553	S	S	.	*			trans	-73.7	149.1	164.4	-65.9	-87.3	0	0	0	109	T438 M446 F732	T438-F440 WeakPolarHBondContact O-CD2 3.46Å; T438-F440 PolarHBondContact O-N 2.86Å; F440-M446 HydrophobicContact CZ-CE 4.42Å; F440-F732 HydrophobicContact CE1-CE1 4.25Å
441	D	49.2	Very low	42.5	Very low	70 Å²	70	104.2 Å²	104.2	37%	0.374	56%	0.56	S	S	.	*			trans	-72.3	130.6	176.2	-56.5	-93.7	0	0	0	110.6	E443 Y444 S705	D441-E443 PolarHBondContact O-N 2.91Å; D441-Y444 PolarHBondContact O-N 3.23Å; D441-Y444 VanDerWaalsContact O-N 3.08Å; D441-S705 VanDerWaalsContact CG-CB 3.41Å; D441-S705 VanDerWaalsContact OD1-CB 3.32Å; D441-S705 WeakPolarHBondContact OD1-CB 3.41Å; D441-S705 PolarHBondContact OD1-OG 3Å; D441-S705 WeakPolarHBondContact OD2-CB 3.39Å; D441-S705 PolarHBondContact OD2-OG 2.97Å
442	D	52.1	Low	42.5	Very low	167 Å²	167	101.1 Å²	101.1	89%	0.893	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-10.2	-172.8	-58.4	-46	0	0	0	115.5
443	E	57.1	Low	42.7	Very low	146 Å²	146	101.6 Å²	101.6	68%	0.682	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-19	180	-63.2	-174.5	167.2	0	0	114.1	D441 E734 E735	D441-E443 PolarHBondContact O-N 2.91Å; E443-E734 WeakPolarHBondContact O-CA 3.5Å; E443-E735 PolarHBondContact O-N 2.94Å
444	Y	67.5	Low	42.7	Very low	36 Å²	36	104 Å²	104	14%	0.141	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.5	-173.6	-75.3	-95.7	0	0	0	113.1	D441 P704 T712 F715 A733 E734	D441-Y444 PolarHBondContact O-N 3.23Å; D441-Y444 VanDerWaalsContact O-N 3.08Å; Y444-P704 HydrophobicContact CD1-CB 4.09Å; Y444-P704 HydrophobicContact CD1-CG 4.29Å; Y444-P704 HydrophobicContact CD2-CB 3.89Å; Y444-P704 HydrophobicContact CE2-CB 4.35Å; Y444-P704 HydrophobicContact CG-CB 3.76Å; Y444-P704 HydrophobicContact CG-CG 4.08Å; Y444-T712 PolarHBondContact OH-O 2.67Å; Y444-F715 HydrophobicContact CD1-CD2 4.27Å; Y444-F715 HydrophobicContact CD1-CE2 4.39Å; Y444-F715 AromaticContact CE1-CD2 3.82Å; Y444-F715 HydrophobicContact CE1-CD2 3.82Å; Y444-F715 AromaticContact CE1-CE2 3.64Å; Y444-F715 HydrophobicContact CE1-CE2 3.64Å; Y444-F715 AromaticContact CZ-CE2 3.81Å; Y444-A733 WeakPolarHBondContact CA-O 3.4Å; Y444-E734 HydrophobicContact CE1-CB 4.31Å
445	F	71.7	Confident	42.7	Very low	62 Å²	62	106.4 Å²	106.4	27%	0.272	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	147.5	172.4	70.8	-79.7	0	0	0	111.9	F447 F732 A733 F739	F445-F447 HydrophobicContact CD2-CD2 4.43Å; F445-F447 HydrophobicContact CE2-CB 4.34Å; F445-F447 AromaticContact CE2-CD2 3.42Å; F445-F447 HydrophobicContact CE2-CD2 3.42Å; F445-F447 VanDerWaalsContact CE2-CD2 3.42Å; F445-F447 HydrophobicContact CE2-CE2 4.01Å; F445-F447 HydrophobicContact CE2-CG 4.15Å; F445-F447 AromaticContact CZ-CD2 3.63Å; F445-F447 HydrophobicContact CZ-CD2 3.63Å; F445-F447 AromaticContact CZ-CE2 3.96Å; F445-F447 HydrophobicContact CZ-CE2 3.96Å; F445-F732 WeakPolarHBondContact O-CA 3.29Å; F445-A733 WeakPolarHBondContact CD1-O 3.45Å; F445-A733 HydrophobicContact CE1-CB 3.93Å; F445-A733 HydrophobicContact CZ-CB 4.1Å; F445-A733 PolarHBondContact N-O 2.72Å; F445-A733 PolarHBondContact O-N 3.03Å; F445-A733 VanDerWaalsContact O-N 3.08Å; F445-F739 HydrophobicContact CE2-CE1 4.43Å
446	M	71.6	Confident	42.9	Very low	54 Å²	54	107.7 Å²	107.7	27%	0.266	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.6	168.2	-173.3	164.9	55.6	0	0	108.8	F440 H449 F732	F440-M446 HydrophobicContact CZ-CE 4.42Å; M446-H449 HydrophobicContact CE-CB 3.95Å; M446-H449 HydrophobicContact CG-CB 4.19Å; M446-F732 HydrophobicContact CB-CD1 4.02Å; M446-F732 HydrophobicContact CB-CE1 3.78Å; M446-F732 HydrophobicContact CG-CD1 4.42Å; M446-F732 HydrophobicContact CG-CE1 4.01Å; M446-F732 HydrophobicContact CG-CZ 4.28Å; M446-F732 HydrophobicContact SD-CE1 4.19Å; M446-F732 HydrophobicContact SD-CZ 4.06Å
447	F	65.6	Low	42.8	Very low	1 Å²	1	107 Å²	107	0%	0.004	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	144.4	-166.1	-162	-76.9	0	0	0	111.1	F445 H449 I731 A733 F739 F740 K763	F445-F447 HydrophobicContact CD2-CD2 4.43Å; F445-F447 HydrophobicContact CE2-CB 4.34Å; F445-F447 AromaticContact CE2-CD2 3.42Å; F445-F447 HydrophobicContact CE2-CD2 3.42Å; F445-F447 VanDerWaalsContact CE2-CD2 3.42Å; F445-F447 HydrophobicContact CE2-CE2 4.01Å; F445-F447 HydrophobicContact CE2-CG 4.15Å; F445-F447 AromaticContact CZ-CD2 3.63Å; F445-F447 HydrophobicContact CZ-CD2 3.63Å; F445-F447 AromaticContact CZ-CE2 3.96Å; F445-F447 HydrophobicContact CZ-CE2 3.96Å; F447-H449 PolarHBondContact O-N 2.79Å; F447-I731 HydrophobicContact CB-CB 3.95Å; F447-I731 HydrophobicContact CB-CG2 3.82Å; F447-I731 WeakPolarHBondContact CB-O 3.42Å; F447-I731 HydrophobicContact CG-CG2 4.18Å; F447-I731 PolarHBondContact N-O 2.76Å; F447-A733 HydrophobicContact CD2-CB 4.13Å; F447-F739 HydrophobicContact CE1-CD1 4.1Å; F447-F739 HydrophobicContact CE2-CB 4.47Å; F447-F739 AromaticContact CE2-CD1 3.79Å; F447-F739 HydrophobicContact CE2-CD1 3.79Å; F447-F739 HydrophobicContact CE2-CE1 4.4Å; F447-F739 HydrophobicContact CE2-CG 4.32Å; F447-F739 HydrophobicContact CZ-CB 3.97Å; F447-F739 AromaticContact CZ-CD1 3.43Å; F447-F739 HydrophobicContact CZ-CD1 3.43Å; F447-F739 VanDerWaalsContact CZ-CD1 3.43Å; F447-F739 HydrophobicContact CZ-CE1 4.29Å; F447-F739 HydrophobicContact CZ-CG 4.05Å; F447-F740 HydrophobicContact CD2-CE1 4.13Å; F447-F740 AromaticContact CE2-CD1 3.93Å; F447-F740 HydrophobicContact CE2-CD1 3.93Å; F447-F740 AromaticContact CE2-CE1 3.71Å; F447-F740 HydrophobicContact CE2-CE1 3.71Å; F447-F740 HydrophobicContact CE2-CZ 4.44Å; F447-F740 HydrophobicContact CZ-CD1 4.03Å; F447-F740 HydrophobicContact CZ-CE1 4.12Å; F447-F740 HydrophobicContact CZ-CG 4.5Å; F447-K763 VanDerWaalsContact CE1-NZ 3.27Å
448	D	55.6	Low	42.6	Very low	61 Å²	61	107.9 Å²	107.9	33%	0.326	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	16.2	-179.6	-62.6	-38.3	0	0	0	116.5	P743 L744 K763	D448-P743 WeakPolarHBondContact OD2-CA 3.44Å; D448-L744 HydrophobicContact CB-CB 3.74Å; D448-L744 HydrophobicContact CB-CD1 4.11Å; D448-L744 HydrophobicContact CB-CG 3.88Å; D448-L744 PolarHBondContact OD2-N 2.64Å; D448-K763 IonicContact OD2-NZ 3.93Å; D448-K763 PolarHBondContact OD2-NZ 3.04Å
449	H	41.7	Very low	42.3	Very low	93 Å²	93	109.2 Å²	109.2	43%	0.431	55%	0.554	S	S	.	*			trans	-112.8	97.6	-174	-150.3	-36.8	0	0	0	113.6	M446 F447	M446-H449 HydrophobicContact CE-CB 3.95Å; M446-H449 HydrophobicContact CG-CB 4.19Å; F447-H449 PolarHBondContact O-N 2.79Å
450	D	36	Very low	42.2	Very low	82 Å²	82	104.9 Å²	104.9	44%	0.439	55%	0.547	S	S	.	.			trans	-74.1	127.5	176.7	167.1	38.3	0	0	0	112.8	H452 S453	D450-H452 VanDerWaalsContact CG-N 3.34Å; D450-H452 PolarHBondContact OD1-N 2.9Å; D450-H452 PolarHBondContact OD2-N 3.47Å; D450-S453 WeakPolarHBondContact OD2-CA 3.36Å; D450-S453 WeakPolarHBondContact OD2-CB 3.14Å; D450-S453 PolarHBondContact OD2-N 2.8Å
451	P	30.6	Very low	41.6	Very low	107 Å²	107	107.2 Å²	107.2	70%	0.695	56%	0.562	S	S	*	*	S	Bend	trans	-74.9	-14	173	-16.7	32.1	0	0	0	116.1
452	H	31.1	Very low	40.4	Very low	145 Å²	145	111.1 Å²	111.1	67%	0.671	58%	0.582	S	S	*	*			trans	-112.5	-5.7	-161.6	-68.8	-63.5	0	0	0	116.7	D450 I454 Y455	D450-H452 VanDerWaalsContact CG-N 3.34Å; D450-H452 PolarHBondContact OD1-N 2.9Å; D450-H452 PolarHBondContact OD2-N 3.47Å; H452-I454 PolarHBondContact O-N 3.16Å; H452-Y455 PolarHBondContact O-N 3Å
453	S	32.1	Very low	39.3	Very low	70 Å²	70	110.4 Å²	110.4	49%	0.49	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.4	4.3	-177.3	56	0	0	0	0	119	D450	D450-S453 WeakPolarHBondContact OD2-CA 3.36Å; D450-S453 WeakPolarHBondContact OD2-CB 3.14Å; D450-S453 PolarHBondContact OD2-N 2.8Å
454	I	27.5	Very low	37.9	Very low	142 Å²	142	111.4 Å²	111.4	73%	0.728	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-17.5	178.6	-64.3	177.4	0	0	0	112.8	H452	H452-I454 PolarHBondContact O-N 3.16Å
455	Y	27.3	Very low	36.1	Very low	207 Å²	207	114.4 Å²	114.4	81%	0.812	60%	0.6	S	S	*	*	S	Bend	trans	-111.4	15.4	-168.7	-83	-78.1	0	0	0	117.5	H452	H452-Y455 PolarHBondContact O-N 3Å
456	Y	29.3	Very low	34.3	Very low	173 Å²	173	115.7 Å²	115.7	68%	0.678	61%	0.613	S	S	*	*			trans	-106.6	84.6	175	-89.2	-69.2	0	0	0	113.6	D1086	Y456-D1086 PolarHBondContact OH-OD1 3.39Å; Y456-D1086 PolarHBondContact OH-OD2 3.07Å
457	N	24.2	Very low	33.1	Very low	143 Å²	143	117.6 Å²	117.6	77%	0.765	63%	0.628	S	S	*	*			trans	-117	129.3	164.3	-102.2	-53	0	0	0	110
458	N	25.7	Very low	32.5	Very low	148 Å²	148	119.4 Å²	119.4	79%	0.791	64%	0.639	S	S	*	*	S	Bend	trans	78	118.3	-174.9	-54.2	-47.1	0	0	0	116.9
459	S	25.6	Very low	32.8	Very low	120 Å²	120	118.4 Å²	118.4	84%	0.839	64%	0.636	S	S	*	*	S	Bend	trans	82.2	116.1	169.4	-38.3	0	0	0	0	116.6
460	G	25.8	Very low	34.3	Very low	72 Å²	72	115.9 Å²	115.9	74%	0.742	63%	0.625	S	S	*	*	S	Bend	trans	105.2	113	172.5	0	0	0	0	0	114.2	N462	G460-N462 PolarHBondContact O-N 3.46Å
461	M	26.7	Very low	36.3	Very low	153 Å²	153	112.9 Å²	112.9	75%	0.754	61%	0.608	S	S	*	*			trans	21	86	165.7	-56.4	-159.3	74	0	0	118.4	F463	M461-F463 PolarHBondContact O-N 3.08Å
462	N	23.3	Very low	39	Very low	151 Å²	151	108.2 Å²	108.2	81%	0.807	58%	0.578	S	S	*	*			trans	-61.3	100.5	163.2	-102.1	-81.8	0	0	0	110.6	G460 K464	G460-N462 PolarHBondContact O-N 3.46Å; N462-K464 PolarHBondContact O-N 3.08Å
463	F	30	Very low	41.6	Very low	152 Å²	152	101.4 Å²	101.4	67%	0.667	55%	0.546	S	S	*	.			trans	-68.9	74.3	166.8	-88.3	-84	0	0	0	110.6	M461 S465 F1210	M461-F463 PolarHBondContact O-N 3.08Å; F463-S465 PolarHBondContact O-N 2.73Å; F463-F1210 AromaticContact CE1-CD1 3.95Å; F463-F1210 HydrophobicContact CE1-CD1 3.95Å; F463-F1210 HydrophobicContact CE1-CE1 4.38Å; F463-F1210 AromaticContact CZ-CD1 3.83Å; F463-F1210 HydrophobicContact CZ-CD1 3.83Å; F463-F1210 HydrophobicContact CZ-CE1 4.29Å
464	K	27.9	Very low	44.1	Very low	168 Å²	168	100.4 Å²	100.4	73%	0.73	54%	0.535	S	S	*	.			trans	-64.3	130.6	163	-70.6	-170.9	176	-176.1	0	108	N462 T466	N462-K464 PolarHBondContact O-N 3.08Å; K464-T466 PolarHBondContact O-N 2.74Å
465	S	29.6	Very low	46.6	Very low	98 Å²	98	93.8 Å²	93.8	69%	0.685	50%	0.502	S	S	*	.			trans	-66.7	73	-176.8	38.1	0	0	0	0	112.9	F463	F463-S465 PolarHBondContact O-N 2.73Å
466	T	33.9	Very low	49	Very low	90 Å²	90	84.9 Å²	84.9	55%	0.552	47%	0.467	S	S	*	.			trans	-67.3	125.8	155.8	47.8	0	0	0	0	107.9	K464 T468	K464-T466 PolarHBondContact O-N 2.74Å; T466-T468 PolarHBondContact O-N 3.5Å
467	T	46	Very low	51	Low	93 Å²	93	82 Å²	82	57%	0.571	46%	0.455	S	S	*	.			trans	-49	111.3	-178.4	41	0	0	0	0	110.9
468	T	53.5	Low	53.6	Low	40 Å²	40	75.9 Å²	75.9	25%	0.245	42%	0.422	C	S	.	.			trans	-62.7	129.6	-176.9	22.1	0	0	0	0	109.1	T466 L470	T466-T468 PolarHBondContact O-N 3.5Å; T468-L470 PolarHBondContact O-N 2.9Å
469	P	60.5	Low	56.2	Low	40 Å²	40	70.2 Å²	70.2	26%	0.26	39%	0.393	S	S	.	.			trans	-58.2	113.3	-173.7	-26	32.1	0	0	0	112.4	H471 L864 Y1212	P469-H471 PolarHBondContact O-N 2.74Å; P469-H471 VanDerWaalsContact O-N 3.16Å; P469-H471 PolarHBondContact O-ND1 3.12Å; P469-L864 HydrophobicContact CB-CD1 3.64Å; P469-L864 HydrophobicContact CB-CD2 3.9Å; P469-L864 HydrophobicContact CB-CG 4.25Å; P469-Y1212 WeakPolarHBondContact CB-OH 3.48Å; P469-Y1212 HydrophobicContact CG-CE2 4.27Å; P469-Y1212 PolarHBondContact O-OH 2.8Å; P469-Y1212 VanDerWaalsContact O-OH 3.13Å
470	L	73.5	Confident	59.1	Low	40 Å²	40	65.4 Å²	65.4	21%	0.209	36%	0.356	C	S	.	.			trans	-65.5	113.8	179.7	-67.1	-176.4	0	0	0	110.1	T468 P742 E758 F759	T468-L470 PolarHBondContact O-N 2.9Å; L470-P742 HydrophobicContact CD2-CB 4.01Å; L470-P742 HydrophobicContact CD2-CG 3.77Å; L470-E758 HydrophobicContact CD1-CB 3.78Å; L470-F759 HydrophobicContact CD1-CB 4.48Å; L470-F759 HydrophobicContact CD2-CB 4.22Å; L470-F759 HydrophobicContact CD2-CD2 3.85Å; L470-F759 HydrophobicContact CD2-CG 4.32Å
471	H	78.9	Confident	62.2	Low	18 Å²	18	62.5 Å²	62.5	8%	0.083	32%	0.323	C	S	.	.			trans	-139.8	144.5	-178.4	65.3	-84.3	0	0	0	111.1	P469 V762 N766 Y1212 L1225 V1232	P469-H471 PolarHBondContact O-N 2.74Å; P469-H471 VanDerWaalsContact O-N 3.16Å; P469-H471 PolarHBondContact O-ND1 3.12Å; H471-V762 WeakPolarHBondContact O-CG1 3.16Å; H471-N766 PolarHBondContact O-ND2 2.98Å; H471-N766 VanDerWaalsContact O-ND2 3.15Å; H471-Y1212 AromaticContact CE1-CE1 3.47Å; H471-Y1212 VanDerWaalsContact CE1-CE1 3.47Å; H471-Y1212 WeakPolarHBondContact CE1-CE1 3.25Å; H471-Y1212 AromaticContact CE1-CZ 3.77Å; H471-Y1212 PolarHBondContact CE1-OH 2.86Å; H471-Y1212 VanDerWaalsContact CE1-OH 3.24Å; H471-Y1212 AromaticContact ND1-CE1 3.73Å; H471-Y1212 AromaticContact ND1-CZ 3.84Å; H471-Y1212 PolarHBondContact ND1-OH 2.85Å; H471-Y1212 AromaticContact NE2-CE1 3.98Å; H471-L1225 WeakPolarHBondContact NE2-CD2 3.41Å; H471-L1225 WeakPolarHBondContact NE2-CG 3.44Å; H471-V1232 HydrophobicContact CB-CG1 3.88Å
472	L	85.6	Confident	65.4	Low	10 Å²	10	55.2 Å²	55.2	5%	0.052	29%	0.287	C	S	.	.			trans	-82.4	131.8	171.5	-70.6	172.7	0	0	0	110.1	P475 Y652 E653 V762 I765	L472-P475 HydrophobicContact CB-CB 4.49Å; L472-Y652 HydrophobicContact CD1-CD1 4.36Å; L472-Y652 HydrophobicContact CD1-CE1 4.42Å; L472-Y652 HydrophobicContact CD2-CE1 4.39Å; L472-Y652 HydrophobicContact CG-CE1 4.45Å; L472-E653 HydrophobicContact CD1-CB 3.46Å; L472-E653 VanDerWaalsContact CD1-CB 3.46Å; L472-E653 HydrophobicContact CD1-CG 3.76Å; L472-V762 HydrophobicContact CD2-CB 4.44Å; L472-V762 HydrophobicContact CD2-CG1 4.22Å; L472-V762 HydrophobicContact CD2-CG2 4.22Å; L472-I765 HydrophobicContact CD2-CB 3.9Å; L472-I765 HydrophobicContact CD2-CD1 3.91Å; L472-I765 HydrophobicContact CD2-CG2 3.71Å
473	E	86.6	Confident	68.6	Low	2 Å²	2	48.8 Å²	48.8	1%	0.009	25%	0.252	C	S	.	.	S	Bend	trans	-73.4	139.6	171	-70.4	-174.6	-135.2	0	0	110.7	F740 G741 N766 K769 L1225 N1228 S1230	E473-F740 WeakPolarHBondContact OE1-CA 3.42Å; E473-G741 PolarHBondContact OE1-N 2.8Å; E473-N766 HydrophobicContact CG-CB 4.34Å; E473-N766 PolarHBondContact N-OD1 2.8Å; E473-K769 VanDerWaalsContact O-CD 3.23Å; E473-K769 WeakPolarHBondContact O-CD 3.19Å; E473-K769 PolarHBondContact O-NZ 2.93Å; E473-L1225 VanDerWaalsContact CD-CD1 3.43Å; E473-L1225 HydrophobicContact CG-CD1 3.61Å; E473-L1225 WeakPolarHBondContact OE1-CD1 3.36Å; E473-N1228 PolarHBondContact OE1-ND2 2.89Å; E473-N1228 PolarHBondContact OE2-ND2 2.87Å; E473-S1230 WeakPolarHBondContact OE2-CB 3.41Å; E473-S1230 PolarHBondContact OE2-OG 3.21Å
474	N	84.5	Confident	71.3	Confident	48 Å²	48	45.3 Å²	45.3	26%	0.257	24%	0.237	S	C	.	.	S	Bend	trans	48.2	57.2	178.1	-54.1	-63.6	0	0	0	111.8	T479 K769 S1230 L1231	N474-T479 HydrophobicContact CB-CG2 3.98Å; N474-K769 PolarHBondContact O-NZ 3.24Å; N474-S1230 WeakPolarHBondContact ND2-CB 3.19Å; N474-S1230 PolarHBondContact ND2-OG 2.71Å; N474-L1231 WeakPolarHBondContact CA-O 3.35Å; N474-L1231 PolarHBondContact N-O 3.16Å; N474-L1231 PolarHBondContact OD1-N 3.38Å
475	P	81	Confident	74.2	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.026	21%	0.208	C	C	.	.			trans	-71.4	135.4	-174.1	30.4	-34.3	0	0	0	110.5	L472 R477 E478 T479 L1231	L472-P475 HydrophobicContact CB-CB 4.49Å; P475-R477 HydrophobicContact CB-CG 4.34Å; P475-R477 PolarHBondContact O-N 2.9Å; P475-R477 VanDerWaalsContact O-N 3.09Å; P475-E478 HydrophobicContact CG-CB 4.34Å; P475-E478 HydrophobicContact CG-CG 3.92Å; P475-E478 PolarHBondContact O-N 2.8Å; P475-T479 PolarHBondContact O-N 3.12Å; P475-T479 VanDerWaalsContact O-N 3.08Å; P475-T479 PolarHBondContact O-OG1 2.8Å; P475-L1231 VanDerWaalsContact CD-O 3.26Å; P475-L1231 WeakPolarHBondContact CD-O 2.97Å
476	E	76.5	Confident	77.3	Confident	19 Å²	19	34.1 Å²	34.1	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-34.3	-171.2	-78.2	-179.9	-107.7	0	0	114.5	E478 T479 R480 V584 H655 P851	E476-E478 PolarHBondContact O-N 3.41Å; E476-E478 VanDerWaalsContact O-N 3.12Å; E476-T479 WeakPolarHBondContact CA-OG1 3.23Å; E476-T479 PolarHBondContact O-N 3.25Å; E476-R480 HydrophobicContact CB-CG 4.22Å; E476-R480 HydrophobicContact CG-CG 4.13Å; E476-R480 PolarHBondContact O-N 3.47Å; E476-R480 WeakPolarHBondContact OE2-CD 3.46Å; E476-R480 IonicContact OE2-CZ 2.86Å; E476-R480 IonicContact OE2-NE 2.76Å; E476-R480 IonicContact OE2-NH1 3.25Å; E476-R480 PolarHBondContact OE2-NH1 3.08Å; E476-V584 WeakPolarHBondContact OE1-CA 3.3Å; E476-V584 WeakPolarHBondContact OE1-CG1 3.5Å; E476-V584 WeakPolarHBondContact OE2-CG2 3.26Å; E476-H655 IonicContact OE1-CE1 2.63Å; E476-H655 PolarHBondContact OE1-CE1 2.84Å; E476-H655 IonicContact OE1-ND1 3.83Å; E476-H655 PolarHBondContact OE1-ND1 3.36Å; E476-H655 VanDerWaalsContact OE1-ND1 3.08Å; E476-P851 HydrophobicContact CB-CB 4.12Å; E476-P851 HydrophobicContact CB-CG 4.29Å
477	R	72.5	Confident	80.1	Confident	113 Å²	113	29.9 Å²	29.9	43%	0.426	15%	0.149	S	C	.	.	H	α-helix	trans	-57.6	-23	175.4	62.6	177.7	172.3	-111.3	7.6	113.1	P475 K484 E653	P475-R477 HydrophobicContact CB-CG 4.34Å; P475-R477 PolarHBondContact O-N 2.9Å; P475-R477 VanDerWaalsContact O-N 3.09Å; R477-K484 WeakPolarHBondContact O-CD 3.48Å; R477-K484 VanDerWaalsContact O-CE 3.28Å; R477-K484 WeakPolarHBondContact O-CE 3.33Å; R477-K484 PolarHBondContact O-NZ 3.44Å; R477-E653 IonicContact CZ-OE2 3.53Å; R477-E653 VanDerWaalsContact CZ-OE2 3.31Å; R477-E653 IonicContact NH1-OE2 2.74Å; R477-E653 PolarHBondContact NH1-OE2 3.41Å; R477-E653 IonicContact NH2-OE2 3.82Å; R477-E653 PolarHBondContact NH2-OE2 3.02Å
478	E	77.1	Confident	82.2	Confident	15 Å²	15	26.5 Å²	26.5	7%	0.07	13%	0.132	C	C	.	.	H	α-helix	trans	-104.9	-30.6	174.9	-51	-65.3	-142.4	0	0	113	P475 E476 W481 K484 L1231 H1233 T1234	P475-E478 HydrophobicContact CG-CB 4.34Å; P475-E478 HydrophobicContact CG-CG 3.92Å; P475-E478 PolarHBondContact O-N 2.8Å; E476-E478 PolarHBondContact O-N 3.41Å; E476-E478 VanDerWaalsContact O-N 3.12Å; E478-W481 PolarHBondContact O-NE1 2.96Å; E478-K484 IonicContact OE2-NZ 2.69Å; E478-K484 PolarHBondContact OE2-NZ 2.97Å; E478-L1231 HydrophobicContact CB-CD2 3.82Å; E478-H1233 IonicContact OE1-CE1 2.75Å; E478-H1233 IonicContact OE1-CG 2.74Å; E478-H1233 IonicContact OE1-ND1 3.31Å; E478-H1233 PolarHBondContact OE1-ND1 2.9Å; E478-T1234 PolarHBondContact OE1-N 2.86Å
479	T	81.5	Confident	84	Confident	29 Å²	29	28.5 Å²	28.5	18%	0.178	14%	0.138	C	C	.	.	H	α-helix	trans	-95.8	-27.8	-169.2	57.2	0	0	0	0	115.2	N474 P475 E476 W481 K533 L1231	N474-T479 HydrophobicContact CB-CG2 3.98Å; P475-T479 PolarHBondContact O-N 3.12Å; P475-T479 VanDerWaalsContact O-N 3.08Å; P475-T479 PolarHBondContact O-OG1 2.8Å; E476-T479 WeakPolarHBondContact CA-OG1 3.23Å; E476-T479 PolarHBondContact O-N 3.25Å; T479-W481 PolarHBondContact O-N 3.33Å; T479-K533 WeakPolarHBondContact O-CE 3.21Å; T479-L1231 HydrophobicContact CG2-CD2 4.29Å
480	R	86.5	Confident	85.4	Confident	19 Å²	19	28.6 Å²	28.6	7%	0.072	13%	0.133	C	C	.	.			trans	-83.3	66.3	179.2	-67.1	-175.5	71	-173	2.6	111.8	E476 Y482 F483 K484 E578 V584 D849	E476-R480 HydrophobicContact CB-CG 4.22Å; E476-R480 HydrophobicContact CG-CG 4.13Å; E476-R480 PolarHBondContact O-N 3.47Å; E476-R480 WeakPolarHBondContact OE2-CD 3.46Å; E476-R480 IonicContact OE2-CZ 2.86Å; E476-R480 IonicContact OE2-NE 2.76Å; E476-R480 IonicContact OE2-NH1 3.25Å; E476-R480 PolarHBondContact OE2-NH1 3.08Å; R480-Y482 PolarHBondContact O-N 2.82Å; R480-F483 HydrophobicContact CB-CB 4.5Å; R480-K484 WeakPolarHBondContact O-CB 3.16Å; R480-K484 PolarHBondContact O-N 3.12Å; R480-E578 WeakPolarHBondContact CA-OE1 3.4Å; R480-E578 HydrophobicContact CB-CG 4.46Å; R480-E578 HydrophobicContact CG-CG 4.32Å; R480-V584 VanDerWaalsContact NH1-CG2 3.27Å; R480-D849 VanDerWaalsContact CZ-O 3.29Å; R480-D849 PolarHBondContact NH1-O 2.72Å; R480-D849 PolarHBondContact NH2-O 2.9Å
481	W	90.3	Very high	86.3	Confident	10 Å²	10	26.9 Å²	26.9	4%	0.038	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-42.2	-174.7	-87.4	35.2	0	0	0	113.5	E478 T479 K484 Y485 F486 R522 I524 K533 L534 C535 E578 T1200	E478-W481 PolarHBondContact O-NE1 2.96Å; T479-W481 PolarHBondContact O-N 3.33Å; W481-K484 PolarHBondContact O-N 3.3Å; W481-Y485 HydrophobicContact CB-CD2 4.04Å; W481-Y485 HydrophobicContact CB-CE2 4.44Å; W481-Y485 AromaticContact CD1-CE2 3.69Å; W481-Y485 HydrophobicContact CD2-CD2 4.14Å; W481-Y485 HydrophobicContact CD2-CE2 4.09Å; W481-Y485 AromaticContact CG-CD2 3.85Å; W481-Y485 HydrophobicContact CG-CD2 3.85Å; W481-Y485 AromaticContact CG-CE2 3.84Å; W481-Y485 HydrophobicContact CG-CE2 3.84Å; W481-Y485 AromaticContact NE1-CE2 3.78Å; W481-Y485 PolarHBondContact O-N 2.79Å; W481-F486 HydrophobicContact CB-CE2 4.48Å; W481-F486 HydrophobicContact CE3-CE2 4.42Å; W481-F486 WeakPolarHBondContact O-CD2 3.44Å; W481-R522 HydrophobicContact CE3-CB 4.17Å; W481-R522 HydrophobicContact CH2-CG 4.49Å; W481-R522 HydrophobicContact CZ3-CB 3.8Å; W481-R522 HydrophobicContact CZ3-CG 4.19Å; W481-I524 HydrophobicContact CB-CD1 3.59Å; W481-I524 HydrophobicContact CB-CG1 4.05Å; W481-I524 HydrophobicContact CE3-CG1 3.93Å; W481-K533 HydrophobicContact CB-CD 4.23Å; W481-K533 HydrophobicContact CD2-CB 4.15Å; W481-K533 HydrophobicContact CD2-CD 3.92Å; W481-K533 HydrophobicContact CD2-CG 4.33Å; W481-K533 HydrophobicContact CE3-CB 4Å; W481-K533 HydrophobicContact CE3-CD 4.42Å; W481-K533 HydrophobicContact CE3-CG 4.34Å; W481-K533 HydrophobicContact CG-CD 3.78Å; W481-K533 HydrophobicContact CH2-CB 4.17Å; W481-K533 HydrophobicContact CZ2-CB 4.36Å; W481-K533 HydrophobicContact CZ3-CB 3.98Å; W481-L534 WeakPolarHBondContact CZ3-O 3.46Å; W481-C535 WeakPolarHBondContact CH2-SG 3.45Å; W481-E578 PolarHBondContact N-OE1 2.98Å; W481-T1200 HydrophobicContact CH2-CG2 3.43Å; W481-T1200 VanDerWaalsContact CH2-CG2 3.43Å; W481-T1200 HydrophobicContact CZ2-CG2 3.28Å
482	Y	94.1	Very high	86.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-67.9	-49	-174.3	-166.5	-105.1	0	0	0	110.4	R480 K484 F486 L487 H491 L493 A507 I524 W526 Q571 A574 L575 E578	R480-Y482 PolarHBondContact O-N 2.82Å; Y482-K484 PolarHBondContact O-N 2.79Å; Y482-F486 HydrophobicContact CD2-CB 3.47Å; Y482-F486 VanDerWaalsContact CD2-CB 3.47Å; Y482-F486 HydrophobicContact CD2-CD1 4Å; Y482-F486 HydrophobicContact CD2-CD2 4.14Å; Y482-F486 AromaticContact CD2-CG 3.63Å; Y482-F486 HydrophobicContact CD2-CG 3.63Å; Y482-F486 HydrophobicContact CE2-CB 3.54Å; Y482-F486 HydrophobicContact CE2-CD1 4.03Å; Y482-F486 AromaticContact CE2-CG 3.94Å; Y482-F486 HydrophobicContact CE2-CG 3.94Å; Y482-F486 HydrophobicContact CG-CB 4.21Å; Y482-F486 WeakPolarHBondContact O-CB 3.09Å; Y482-F486 PolarHBondContact O-N 3.4Å; Y482-F486 VanDerWaalsContact O-N 3.15Å; Y482-L487 HydrophobicContact CD1-CD2 4.28Å; Y482-L487 HydrophobicContact CD1-CG 4.2Å; Y482-L487 HydrophobicContact CE1-CD2 3.61Å; Y482-L487 HydrophobicContact CE1-CG 4.03Å; Y482-L487 PolarHBondContact O-N 2.93Å; Y482-H491 AromaticContact CE2-NE2 3.53Å; Y482-H491 AromaticContact CZ-CE1 3.9Å; Y482-H491 AromaticContact CZ-NE2 3.54Å; Y482-H491 PolarHBondContact OH-CE1 2.87Å; Y482-H491 PolarHBondContact OH-NE2 2.93Å; Y482-L493 HydrophobicContact CE2-CD2 4.22Å; Y482-A507 HydrophobicContact CD2-CB 4.3Å; Y482-A507 HydrophobicContact CE2-CB 4.2Å; Y482-I524 HydrophobicContact CD2-CD1 4.18Å; Y482-I524 HydrophobicContact CG-CD1 4.48Å; Y482-W526 AromaticContact CD2-CH2 3.83Å; Y482-W526 HydrophobicContact CD2-CH2 3.83Å; Y482-W526 HydrophobicContact CG-CH2 4.04Å; Y482-W526 HydrophobicContact CG-CZ2 4.49Å; Y482-Q571 VanDerWaalsContact CE1-O 3.32Å; Y482-Q571 WeakPolarHBondContact CE1-O 3.42Å; Y482-Q571 VanDerWaalsContact OH-CA 3.24Å; Y482-Q571 WeakPolarHBondContact OH-CA 3.48Å; Y482-Q571 WeakPolarHBondContact OH-CB 3.42Å; Y482-Q571 WeakPolarHBondContact OH-CG 3.42Å; Y482-A574 HydrophobicContact CD1-CB 4.14Å; Y482-A574 HydrophobicContact CD2-CB 4.5Å; Y482-A574 HydrophobicContact CE1-CB 3.61Å; Y482-A574 HydrophobicContact CE2-CB 4.02Å; Y482-L575 HydrophobicContact CD1-CB 4.2Å; Y482-L575 HydrophobicContact CE1-CB 4.28Å; Y482-E578 WeakPolarHBondContact CB-OE1 3.39Å; Y482-E578 PolarHBondContact N-OE1 2.85Å
483	F	91.3	Very high	87.3	Confident	16 Å²	16	27.2 Å²	27.2	7%	0.07	13%	0.126	C	C	.	.	I	π-helix	trans	-57.4	-47.7	169.6	175.9	-93.1	0	0	0	112.4	R480 L487 L575 E578 K841 T844 I845 A850 P851	R480-F483 HydrophobicContact CB-CB 4.5Å; F483-L487 HydrophobicContact CD2-CD1 4.16Å; F483-L575 HydrophobicContact CB-CD1 4.4Å; F483-E578 WeakPolarHBondContact CB-OE2 3.09Å; F483-E578 PolarHBondContact N-OE2 2.83Å; F483-K841 HydrophobicContact CD2-CG 4.14Å; F483-K841 HydrophobicContact CE2-CB 4.34Å; F483-K841 HydrophobicContact CE2-CG 3.53Å; F483-K841 HydrophobicContact CZ-CG 3.84Å; F483-K841 PolarHBondContact O-NZ 2.96Å; F483-T844 HydrophobicContact CD2-CG2 4.12Å; F483-T844 HydrophobicContact CE2-CG2 4.13Å; F483-I845 HydrophobicContact CE2-CG1 4.33Å; F483-I845 HydrophobicContact CZ-CD1 4.12Å; F483-I845 HydrophobicContact CZ-CG1 3.88Å; F483-A850 HydrophobicContact CD2-CB 4.49Å; F483-A850 HydrophobicContact CE1-CB 4Å; F483-A850 HydrophobicContact CE2-CB 3.7Å; F483-A850 HydrophobicContact CZ-CB 3.43Å; F483-A850 VanDerWaalsContact CZ-CB 3.43Å; F483-P851 HydrophobicContact CD1-CG 4.35Å; F483-P851 HydrophobicContact CE1-CG 4.31Å
484	K	86.9	Confident	87.6	Confident	80 Å²	80	28.2 Å²	28.2	35%	0.348	13%	0.13	S	C	.	.	I	π-helix	trans	-68.4	-58.2	-174.6	-172.4	174.4	178.8	-168.7	0	112.8	R477 E478 R480 W481 Y482 K841	R477-K484 WeakPolarHBondContact O-CD 3.48Å; R477-K484 VanDerWaalsContact O-CE 3.28Å; R477-K484 WeakPolarHBondContact O-CE 3.33Å; R477-K484 PolarHBondContact O-NZ 3.44Å; E478-K484 IonicContact OE2-NZ 2.69Å; E478-K484 PolarHBondContact OE2-NZ 2.97Å; R480-K484 WeakPolarHBondContact O-CB 3.16Å; R480-K484 PolarHBondContact O-N 3.12Å; W481-K484 PolarHBondContact O-N 3.3Å; Y482-K484 PolarHBondContact O-N 2.79Å; K484-K841 PolarHBondContact O-NZ 2.9Å
485	Y	88.9	Confident	88	Confident	30 Å²	30	26 Å²	26	12%	0.118	12%	0.118	C	C	.	.	I	π-helix	trans	-102.3	-25.9	-166.1	-52	-67.7	0	0	0	115.1	W481 K489	W481-Y485 HydrophobicContact CB-CD2 4.04Å; W481-Y485 HydrophobicContact CB-CE2 4.44Å; W481-Y485 AromaticContact CD1-CE2 3.69Å; W481-Y485 HydrophobicContact CD2-CD2 4.14Å; W481-Y485 HydrophobicContact CD2-CE2 4.09Å; W481-Y485 AromaticContact CG-CD2 3.85Å; W481-Y485 HydrophobicContact CG-CD2 3.85Å; W481-Y485 AromaticContact CG-CE2 3.84Å; W481-Y485 HydrophobicContact CG-CE2 3.84Å; W481-Y485 AromaticContact NE1-CE2 3.78Å; W481-Y485 PolarHBondContact O-N 2.79Å; Y485-K489 WeakPolarHBondContact O-CD 3.44Å
486	F	93.6	Very high	88.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-99.1	-46.4	-172.7	-65.9	-113.5	0	0	0	112.4	W481 Y482 G488 K489 H491 A507 V509 R522 I524	W481-F486 HydrophobicContact CB-CE2 4.48Å; W481-F486 HydrophobicContact CE3-CE2 4.42Å; W481-F486 WeakPolarHBondContact O-CD2 3.44Å; Y482-F486 HydrophobicContact CD2-CB 3.47Å; Y482-F486 VanDerWaalsContact CD2-CB 3.47Å; Y482-F486 HydrophobicContact CD2-CD1 4Å; Y482-F486 HydrophobicContact CD2-CD2 4.14Å; Y482-F486 AromaticContact CD2-CG 3.63Å; Y482-F486 HydrophobicContact CD2-CG 3.63Å; Y482-F486 HydrophobicContact CE2-CB 3.54Å; Y482-F486 HydrophobicContact CE2-CD1 4.03Å; Y482-F486 AromaticContact CE2-CG 3.94Å; Y482-F486 HydrophobicContact CE2-CG 3.94Å; Y482-F486 HydrophobicContact CG-CB 4.21Å; Y482-F486 WeakPolarHBondContact O-CB 3.09Å; Y482-F486 PolarHBondContact O-N 3.4Å; Y482-F486 VanDerWaalsContact O-N 3.15Å; F486-G488 PolarHBondContact O-N 2.88Å; F486-K489 PolarHBondContact O-N 2.91Å; F486-K489 VanDerWaalsContact O-O 3.07Å; F486-H491 HydrophobicContact CD1-CB 3.93Å; F486-H491 AromaticContact CD1-CG 3.92Å; F486-H491 PolarHBondContact O-ND1 2.93Å; F486-A507 HydrophobicContact CD1-CB 3.84Å; F486-A507 HydrophobicContact CE1-CB 3.52Å; F486-A507 HydrophobicContact CZ-CB 4.28Å; F486-V509 HydrophobicContact CD1-CB 3.72Å; F486-V509 HydrophobicContact CD1-CG1 3.74Å; F486-V509 HydrophobicContact CD2-CG1 3.97Å; F486-V509 HydrophobicContact CE1-CB 3.72Å; F486-V509 HydrophobicContact CE1-CG1 3.54Å; F486-V509 HydrophobicContact CE2-CG1 3.78Å; F486-V509 HydrophobicContact CG-CB 4.27Å; F486-V509 HydrophobicContact CG-CG1 3.95Å; F486-V509 HydrophobicContact CZ-CB 4.27Å; F486-V509 HydrophobicContact CZ-CG1 3.57Å; F486-R522 HydrophobicContact CE2-CB 4.22Å; F486-R522 HydrophobicContact CZ-CB 4.14Å; F486-R522 WeakPolarHBondContact CZ-O 3.41Å; F486-I524 HydrophobicContact CD2-CD1 4Å; F486-I524 HydrophobicContact CE2-CD1 3.57Å; F486-I524 HydrophobicContact CE2-CG1 3.82Å; F486-I524 HydrophobicContact CZ-CD1 3.94Å; F486-I524 HydrophobicContact CZ-CG1 3.83Å
487	L	92.8	Very high	89.2	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	125.4	178.2	-71.1	-172.4	0	0	0	111.4	Y482 F483 Q571 L575 L840 K841	Y482-L487 HydrophobicContact CD1-CD2 4.28Å; Y482-L487 HydrophobicContact CD1-CG 4.2Å; Y482-L487 HydrophobicContact CE1-CD2 3.61Å; Y482-L487 HydrophobicContact CE1-CG 4.03Å; Y482-L487 PolarHBondContact O-N 2.93Å; F483-L487 HydrophobicContact CD2-CD1 4.16Å; L487-Q571 HydrophobicContact CD2-CB 4.28Å; L487-L575 HydrophobicContact CD1-CD1 4.16Å; L487-L575 HydrophobicContact CD1-CD2 4.16Å; L487-L840 HydrophobicContact CD1-CB 4.14Å; L487-L840 HydrophobicContact CD2-CB 4.32Å; L487-L840 HydrophobicContact CD2-CD1 4.04Å; L487-K841 HydrophobicContact CB-CB 4.16Å; L487-K841 HydrophobicContact CB-CD 4.39Å; L487-K841 HydrophobicContact CB-CG 4.26Å; L487-K841 HydrophobicContact CD1-CB 4.37Å; L487-K841 PolarHBondContact O-NZ 3.04Å
488	G	90	Very high	89.9	Confident	21 Å²	21	22.6 Å²	22.6	22%	0.216	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	3.7	-175.2	0	0	0	0	0	114.9	F486	F486-G488 PolarHBondContact O-N 2.88Å
489	K	90.8	Very high	90.3	Very high	83 Å²	83	25.5 Å²	25.5	36%	0.361	13%	0.125	S	C	.	.	S	Bend	trans	-116.5	149.5	165.9	-59	-164.8	-174.2	-167.6	0	109.9	Y485 F486 H491 V509 D511	Y485-K489 WeakPolarHBondContact O-CD 3.44Å; F486-K489 PolarHBondContact O-N 2.91Å; F486-K489 VanDerWaalsContact O-O 3.07Å; K489-H491 PolarHBondContact O-N 3.13Å; K489-H491 PolarHBondContact O-ND1 2.8Å; K489-V509 HydrophobicContact CB-CG2 4.23Å; K489-V509 HydrophobicContact CD-CG2 4.48Å; K489-D511 IonicContact NZ-OD1 3.07Å; K489-D511 PolarHBondContact NZ-OD1 3.3Å
490	Y	90.3	Very high	90.2	Very high	41 Å²	41	31.2 Å²	31.2	16%	0.161	15%	0.149	C	C	.	.			trans	-67.1	129.5	167.2	-179.8	-94	0	0	0	109.3	S817 R829 N830 H833	Y490-S817 WeakPolarHBondContact CD1-OG 3.31Å; Y490-R829 PolarHBondContact OH-NH2 3.46Å; Y490-N830 HydrophobicContact CD2-CB 3.76Å; Y490-N830 HydrophobicContact CE2-CB 4Å; Y490-N830 WeakPolarHBondContact CE2-OD1 3.48Å; Y490-N830 HydrophobicContact CG-CB 4.46Å; Y490-H833 HydrophobicContact CD2-CB 4.29Å
491	H	92.6	Very high	90.2	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.023	18%	0.181	C	C	.	.			trans	-151.1	156.2	-176.9	62.9	-98	0	0	0	109.5	Y482 F486 K489 V508 V509 Q571 H833	Y482-H491 AromaticContact CE2-NE2 3.53Å; Y482-H491 AromaticContact CZ-CE1 3.9Å; Y482-H491 AromaticContact CZ-NE2 3.54Å; Y482-H491 PolarHBondContact OH-CE1 2.87Å; Y482-H491 PolarHBondContact OH-NE2 2.93Å; F486-H491 HydrophobicContact CD1-CB 3.93Å; F486-H491 AromaticContact CD1-CG 3.92Å; F486-H491 PolarHBondContact O-ND1 2.93Å; K489-H491 PolarHBondContact O-N 3.13Å; K489-H491 PolarHBondContact O-ND1 2.8Å; H491-V508 WeakPolarHBondContact CB-O 3.23Å; H491-V509 HydrophobicContact CB-CB 3.72Å; H491-V509 HydrophobicContact CB-CG2 3.83Å; H491-Q571 PolarHBondContact CE1-OE1 2.94Å; H491-Q571 VanDerWaalsContact CE1-OE1 3.24Å; H491-H833 AromaticContact CD2-NE2 3.88Å; H491-H833 AromaticContact CE1-NE2 3.32Å; H491-H833 PolarHBondContact CE1-NE2 2.86Å; H491-H833 VanDerWaalsContact CE1-NE2 3.32Å; H491-H833 AromaticContact CG-NE2 3.84Å; H491-H833 AromaticContact ND1-NE2 3.48Å; H491-H833 PolarHBondContact ND1-NE2 3.05Å; H491-H833 AromaticContact NE2-NE2 3.56Å; H491-H833 PolarHBondContact O-NE2 2.85Å
492	Q	91.4	Very high	90.2	Very high	30 Å²	30	39.6 Å²	39.6	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.6	-178.5	-59.9	-173.9	-15.1	0	0	110.7	H494 A507 V508	Q492-H494 PolarHBondContact OE1-CE1 2.9Å; Q492-A507 CarbonylContact O-C 3.47Å; Q492-A507 WeakPolarHBondContact O-CA 3.19Å; Q492-V508 PolarHBondContact N-O 3.45Å; Q492-V508 PolarHBondContact O-N 3.25Å
493	L	94.8	Very high	90.2	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.9	170.4	-65.4	178.1	0	0	0	109.3	Y482 L506 A507 G564 I565 A570 Q571 A574	Y482-L493 HydrophobicContact CE2-CD2 4.22Å; L493-L506 CarbonylContact C-O 3.59Å; L493-L506 WeakPolarHBondContact CA-O 3.38Å; L493-A507 HydrophobicContact CD2-CB 3.61Å; L493-G564 WeakPolarHBondContact O-CA 3.31Å; L493-I565 HydrophobicContact CB-CB 4.1Å; L493-I565 HydrophobicContact CB-CD1 4.22Å; L493-I565 PolarHBondContact O-N 3.13Å; L493-A570 HydrophobicContact CD1-CB 3.83Å; L493-Q571 HydrophobicContact CD1-CG 4.48Å; L493-A574 HydrophobicContact CD2-CB 4.42Å
494	H	92.8	Very high	90.4	Very high	23 Å²	23	38.9 Å²	38.9	11%	0.106	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.8	176.7	-63.9	80	0	0	0	111	Q492 L505 L506 P562 R563 G564	Q492-H494 PolarHBondContact OE1-CE1 2.9Å; H494-L505 CarbonylContact O-C 3.58Å; H494-L505 WeakPolarHBondContact O-CA 3.48Å; H494-L506 HydrophobicContact CB-CB 4.35Å; H494-L506 PolarHBondContact N-O 2.93Å; H494-L506 PolarHBondContact O-N 2.92Å; H494-P562 HydrophobicContact CB-CB 4.07Å; H494-R563 CarbonylContact C-O 3.6Å; H494-R563 WeakPolarHBondContact CA-O 3.14Å; H494-G564 VanDerWaalsContact CD2-CA 3.47Å; H494-G564 WeakPolarHBondContact CD2-CA 3.36Å
495	C	93.3	Very high	90.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	158.1	174.4	65.8	0	0	0	0	112.4	F504 L505 R563 I565	C495-F504 WeakPolarHBondContact CA-O 3.23Å; C495-L505 HydrophobicContact CB-CD1 4.27Å; C495-R563 PolarHBondContact N-O 2.63Å; C495-R563 PolarHBondContact O-N 2.86Å; C495-I565 HydrophobicContact CB-CD1 3.9Å; C495-I565 HydrophobicContact CB-CG1 4.43Å
496	G	90.9	Very high	91.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-167.3	176.3	0	0	0	0	0	113.4	P503 F504	G496-P503 CarbonylContact O-C 2.96Å; G496-P503 WeakPolarHBondContact O-CA 2.91Å; G496-F504 VanDerWaalsContact CA-CE1 3.46Å; G496-F504 PolarHBondContact N-O 3.05Å; G496-F504 VanDerWaalsContact N-O 3.15Å; G496-F504 VanDerWaalsContact O-CD1 3.28Å; G496-F504 WeakPolarHBondContact O-CD1 3.28Å; G496-F504 PolarHBondContact O-N 3.17Å
497	Y	91.4	Very high	91.3	Very high	47 Å²	47	33.7 Å²	33.7	18%	0.184	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.2	179.9	-74.9	-90.2	0	0	0	109.1	T499 D502 P503 V558 N790 C793	Y497-T499 WeakPolarHBondContact CB-O 3.4Å; Y497-D502 WeakPolarHBondContact CA-O 3.47Å; Y497-P503 HydrophobicContact CD1-CB 4.04Å; Y497-P503 HydrophobicContact CE1-CB 3.67Å; Y497-P503 HydrophobicContact CE1-CG 4.43Å; Y497-V558 WeakPolarHBondContact O-CG1 3.42Å; Y497-N790 WeakPolarHBondContact CE1-OD1 3.44Å; Y497-N790 PolarHBondContact OH-OD1 2.93Å; Y497-C793 HydrophobicContact CE2-CB 3.69Å
498	L	87.7	Confident	91.3	Very high	18 Å²	18	33.7 Å²	33.7	9%	0.094	16%	0.157	C	C	.	.	S	Bend	trans	-74.3	-41.5	174.2	-55.6	-171.6	0	0	0	110.5	D502 F504 I555 V558	L498-D502 HydrophobicContact CB-CB 4.3Å; L498-D502 PolarHBondContact N-O 3.5Å; L498-F504 HydrophobicContact CD2-CD1 3.45Å; L498-F504 VanDerWaalsContact CD2-CD1 3.45Å; L498-F504 HydrophobicContact CD2-CE1 3.51Å; L498-F504 HydrophobicContact CD2-CG 4.28Å; L498-F504 HydrophobicContact CD2-CZ 4.4Å; L498-F504 HydrophobicContact CG-CD1 3.78Å; L498-F504 HydrophobicContact CG-CE1 4.28Å; L498-I555 HydrophobicContact CD1-CD1 3.63Å; L498-I555 HydrophobicContact CD1-CG1 4.02Å; L498-I555 HydrophobicContact CD1-CG2 4.45Å; L498-I555 HydrophobicContact CD2-CD1 4.19Å; L498-I555 HydrophobicContact CD2-CG2 3.53Å; L498-V558 HydrophobicContact CD2-CG1 4.28Å; L498-V558 HydrophobicContact CD2-CG2 4.06Å
499	T	85.2	Confident	91.4	Very high	76 Å²	76	32.8 Å²	32.8	47%	0.466	15%	0.147	S	C	.	.	S	Bend	trans	-133.3	167.6	163.5	61.8	0	0	0	0	108.7	Y497 R501 D502 E559	Y497-T499 WeakPolarHBondContact CB-O 3.4Å; T499-R501 PolarHBondContact O-N 3.35Å; T499-D502 PolarHBondContact O-N 3.02Å; T499-E559 WeakPolarHBondContact CA-OE1 3.35Å
500	E	80	Confident	91.2	Very high	148 Å²	148	30.8 Å²	30.8	69%	0.692	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.5	-22.8	174	-66.4	-165.2	149.6	0	0	115.4	E559	E500-E559 PolarHBondContact N-OE1 3.23Å; E500-E559 PolarHBondContact N-OE2 3.36Å
501	R	85.2	Confident	90.6	Very high	194 Å²	194	29.2 Å²	29.2	73%	0.732	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.2	23.8	-178.3	-54.2	-173.4	-169.9	174	6.3	113.7	T499 K528	T499-R501 PolarHBondContact O-N 3.35Å; R501-K528 PolarHBondContact O-NZ 3.42Å
502	D	90	Very high	89.5	Confident	12 Å²	12	32.7 Å²	32.7	6%	0.064	15%	0.152	C	C	.	.			trans	-135.7	81.5	175	-161.1	34.5	0	0	0	110.8	Y497 L498 T499 R527 K528	Y497-D502 WeakPolarHBondContact CA-O 3.47Å; L498-D502 HydrophobicContact CB-CB 4.3Å; L498-D502 PolarHBondContact N-O 3.5Å; T499-D502 PolarHBondContact O-N 3.02Å; D502-R527 IonicContact OD2-CZ 2.66Å; D502-R527 IonicContact OD2-NE 3.13Å; D502-R527 PolarHBondContact OD2-NE 2.97Å; D502-R527 IonicContact OD2-NH2 3.62Å; D502-R527 PolarHBondContact OD2-NH2 2.85Å; D502-K528 WeakPolarHBondContact OD1-CD 3.42Å; D502-K528 WeakPolarHBondContact OD1-CE 3.46Å; D502-K528 WeakPolarHBondContact OD1-CG 3.49Å; D502-K528 IonicContact OD1-NZ 3.37Å
503	P	94.4	Very high	88.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	152.4	177.2	33.3	-37.7	0	0	0	111	G496 Y497 L789	G496-P503 CarbonylContact O-C 2.96Å; G496-P503 WeakPolarHBondContact O-CA 2.91Å; Y497-P503 HydrophobicContact CD1-CB 4.04Å; Y497-P503 HydrophobicContact CE1-CB 3.67Å; Y497-P503 HydrophobicContact CE1-CG 4.43Å; P503-L789 HydrophobicContact CB-CB 3.97Å; P503-L789 HydrophobicContact CG-CB 3.77Å
504	F	94.9	Very high	86.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155	174.2	72.2	-89.2	0	0	0	112.9	C495 G496 L498 L506 L525 W526 R527 L550 V558 P562	C495-F504 WeakPolarHBondContact CA-O 3.23Å; G496-F504 VanDerWaalsContact CA-CE1 3.46Å; G496-F504 PolarHBondContact N-O 3.05Å; G496-F504 VanDerWaalsContact N-O 3.15Å; G496-F504 VanDerWaalsContact O-CD1 3.28Å; G496-F504 WeakPolarHBondContact O-CD1 3.28Å; G496-F504 PolarHBondContact O-N 3.17Å; L498-F504 HydrophobicContact CD2-CD1 3.45Å; L498-F504 VanDerWaalsContact CD2-CD1 3.45Å; L498-F504 HydrophobicContact CD2-CE1 3.51Å; L498-F504 HydrophobicContact CD2-CG 4.28Å; L498-F504 HydrophobicContact CD2-CZ 4.4Å; L498-F504 HydrophobicContact CG-CD1 3.78Å; L498-F504 HydrophobicContact CG-CE1 4.28Å; F504-L506 HydrophobicContact CD2-CB 4.34Å; F504-L506 HydrophobicContact CE2-CB 4.39Å; F504-L525 HydrophobicContact CB-CD1 3.99Å; F504-L525 HydrophobicContact CD2-CD1 3.78Å; F504-L525 HydrophobicContact CG-CD1 4.19Å; F504-W526 VanDerWaalsContact CA-O 3.23Å; F504-W526 WeakPolarHBondContact CA-O 3.44Å; F504-W526 WeakPolarHBondContact CB-O 3.15Å; F504-R527 HydrophobicContact CB-CG 4.04Å; F504-L550 HydrophobicContact CE2-CD1 4.13Å; F504-L550 HydrophobicContact CE2-CD2 4.25Å; F504-L550 HydrophobicContact CZ-CD1 4Å; F504-V558 HydrophobicContact CE1-CG1 3.94Å; F504-V558 HydrophobicContact CZ-CG1 4.31Å; F504-P562 HydrophobicContact CE2-CB 4.21Å; F504-P562 HydrophobicContact CZ-CB 4.01Å
505	L	96	Very high	84.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.5	164	-178.8	70.7	0	0	0	108.4	H494 C495 L525 W526 I565 A574 L577 L789 I792	H494-L505 CarbonylContact O-C 3.58Å; H494-L505 WeakPolarHBondContact O-CA 3.48Å; C495-L505 HydrophobicContact CB-CD1 4.27Å; L505-L525 CarbonylContact O-C 3.49Å; L505-L525 WeakPolarHBondContact O-CA 3.33Å; L505-W526 HydrophobicContact CB-CB 4.46Å; L505-W526 HydrophobicContact CB-CE3 4.13Å; L505-W526 HydrophobicContact CD2-CE3 3.85Å; L505-W526 HydrophobicContact CD2-CZ3 4.01Å; L505-W526 HydrophobicContact CG-CE3 4Å; L505-W526 HydrophobicContact CG-CZ3 4.33Å; L505-W526 PolarHBondContact N-O 2.81Å; L505-W526 PolarHBondContact O-N 2.81Å; L505-I565 HydrophobicContact CD1-CD1 3.67Å; L505-A574 HydrophobicContact CD2-CB 3.95Å; L505-L577 HydrophobicContact CB-CD1 4.29Å; L505-L577 HydrophobicContact CD2-CD1 3.62Å; L505-L789 HydrophobicContact CB-CD2 3.72Å; L505-I792 HydrophobicContact CD1-CG2 4.17Å
506	L	96.1	Very high	82.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.1	177	173	71	0	0	0	109.1	L493 H494 F504 V508 A523 I524 L525 A546 V549 L550 F553	L493-L506 CarbonylContact C-O 3.59Å; L493-L506 WeakPolarHBondContact CA-O 3.38Å; H494-L506 HydrophobicContact CB-CB 4.35Å; H494-L506 PolarHBondContact N-O 2.93Å; H494-L506 PolarHBondContact O-N 2.92Å; F504-L506 HydrophobicContact CD2-CB 4.34Å; F504-L506 HydrophobicContact CE2-CB 4.39Å; L506-V508 HydrophobicContact CD1-CG2 4.18Å; L506-V508 HydrophobicContact CD2-CG2 4.06Å; L506-V508 HydrophobicContact CG-CG2 3.89Å; L506-A523 HydrophobicContact CD1-CB 4.34Å; L506-I524 CarbonylContact C-O 3.58Å; L506-I524 WeakPolarHBondContact CA-O 3.2Å; L506-L525 HydrophobicContact CB-CD1 4.14Å; L506-L525 HydrophobicContact CD1-CB 4.23Å; L506-L525 HydrophobicContact CD1-CD1 4.37Å; L506-A546 HydrophobicContact CD2-CB 4.3Å; L506-V549 HydrophobicContact CD1-CG1 3.93Å; L506-V549 HydrophobicContact CD2-CB 4.41Å; L506-V549 HydrophobicContact CD2-CG1 4.18Å; L506-L550 HydrophobicContact CD2-CD2 4.04Å; L506-L550 HydrophobicContact CD2-CG 4.05Å; L506-F553 HydrophobicContact CD1-CD2 4.47Å; L506-F553 HydrophobicContact CD1-CE2 3.83Å
507	A	96.1	Very high	81.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.3	165.6	0	0	0	0	0	110.2	Y482 F486 Q492 L493 A523 I524 W526	Y482-A507 HydrophobicContact CD2-CB 4.3Å; Y482-A507 HydrophobicContact CE2-CB 4.2Å; F486-A507 HydrophobicContact CD1-CB 3.84Å; F486-A507 HydrophobicContact CE1-CB 3.52Å; F486-A507 HydrophobicContact CZ-CB 4.28Å; Q492-A507 CarbonylContact O-C 3.47Å; Q492-A507 WeakPolarHBondContact O-CA 3.19Å; L493-A507 HydrophobicContact CD2-CB 3.61Å; A507-A523 VanDerWaalsContact O-CA 3.26Å; A507-A523 WeakPolarHBondContact O-CA 3.36Å; A507-I524 PolarHBondContact N-O 2.93Å; A507-I524 PolarHBondContact O-N 2.75Å; A507-W526 HydrophobicContact CB-CH2 4.24Å; A507-W526 HydrophobicContact CB-CZ3 3.8Å
508	V	94.6	Very high	80.3	Confident	1 Å²	1	51 Å²	51	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	127.9	172.9	-168.9	0	0	0	0	110.3	H491 Q492 L506 Y521 R522 A523 V549 V814	H491-V508 WeakPolarHBondContact CB-O 3.23Å; Q492-V508 PolarHBondContact N-O 3.45Å; Q492-V508 PolarHBondContact O-N 3.25Å; L506-V508 HydrophobicContact CD1-CG2 4.18Å; L506-V508 HydrophobicContact CD2-CG2 4.06Å; L506-V508 HydrophobicContact CG-CG2 3.89Å; V508-Y521 HydrophobicContact CG1-CD1 4.33Å; V508-R522 WeakPolarHBondContact CA-O 3.26Å; V508-A523 HydrophobicContact CG2-CB 4.45Å; V508-V549 HydrophobicContact CG1-CG2 4.36Å; V508-V549 HydrophobicContact CG2-CB 4.49Å; V508-V549 HydrophobicContact CG2-CG1 4.09Å; V508-V549 HydrophobicContact CG2-CG2 4.29Å; V508-V814 HydrophobicContact CG1-CG1 4.06Å; V508-V814 HydrophobicContact CG1-CG2 4.29Å
509	V	91.6	Very high	79.7	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.9	173.8	69.7	0	0	0	0	109.7	F486 K489 H491 Y521 R522	F486-V509 HydrophobicContact CD1-CB 3.72Å; F486-V509 HydrophobicContact CD1-CG1 3.74Å; F486-V509 HydrophobicContact CD2-CG1 3.97Å; F486-V509 HydrophobicContact CE1-CB 3.72Å; F486-V509 HydrophobicContact CE1-CG1 3.54Å; F486-V509 HydrophobicContact CE2-CG1 3.78Å; F486-V509 HydrophobicContact CG-CB 4.27Å; F486-V509 HydrophobicContact CG-CG1 3.95Å; F486-V509 HydrophobicContact CZ-CB 4.27Å; F486-V509 HydrophobicContact CZ-CG1 3.57Å; K489-V509 HydrophobicContact CB-CG2 4.23Å; K489-V509 HydrophobicContact CD-CG2 4.48Å; H491-V509 HydrophobicContact CB-CB 3.72Å; H491-V509 HydrophobicContact CB-CG2 3.83Å; V509-Y521 CarbonylContact O-C 3.56Å; V509-Y521 WeakPolarHBondContact O-CA 3.19Å; V509-R522 HydrophobicContact CG1-CB 3.92Å; V509-R522 PolarHBondContact N-O 2.78Å; V509-R522 PolarHBondContact O-N 3.19Å
510	K	86.1	Confident	79.7	Confident	42 Å²	42	48.3 Å²	48.3	18%	0.183	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.9	166.4	-170.9	-172.9	176.1	-152.9	0	108.9	D512 S519 Y521 Y538 D816	K510-D512 WeakPolarHBondContact CE-OD1 3.41Å; K510-D512 VanDerWaalsContact CE-OD2 3.27Å; K510-D512 WeakPolarHBondContact CE-OD2 3.44Å; K510-D512 IonicContact NZ-OD1 2.78Å; K510-D512 IonicContact NZ-OD2 2.79Å; K510-D512 PolarHBondContact NZ-OD2 3.06Å; K510-S519 WeakPolarHBondContact CE-OG 3.36Å; K510-Y521 HydrophobicContact CB-CD1 4Å; K510-Y521 HydrophobicContact CB-CE1 4.03Å; K510-Y521 HydrophobicContact CG-CD1 4.32Å; K510-Y521 HydrophobicContact CG-CE1 4.24Å; K510-Y538 HydrophobicContact CD-CD2 4.33Å; K510-Y538 HydrophobicContact CD-CE2 4.17Å; K510-Y538 VanDerWaalsContact CE-CE2 3.45Å; K510-D816 WeakPolarHBondContact CD-OD1 3.16Å; K510-D816 WeakPolarHBondContact CE-OD1 3.23Å; K510-D816 IonicContact NZ-OD1 2.73Å; K510-D816 PolarHBondContact NZ-OD1 3.12Å
511	D	77.4	Confident	80.1	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	94.6	-175.6	-158.5	32.4	0	0	0	108.9	K489 I513 Q520 R522	K489-D511 IonicContact NZ-OD1 3.07Å; K489-D511 PolarHBondContact NZ-OD1 3.3Å; D511-I513 HydrophobicContact CB-CG1 4.42Å; D511-I513 PolarHBondContact O-N 2.9Å; D511-I513 WeakPolarHBondContact OD2-CD1 3.42Å; D511-Q520 HydrophobicContact CB-CG 4.34Å; D511-Q520 PolarHBondContact N-O 3.27Å; D511-Q520 PolarHBondContact O-N 3.44Å; D511-R522 HydrophobicContact CB-CG 4.34Å; D511-R522 IonicContact OD2-CZ 3.89Å; D511-R522 VanDerWaalsContact OD2-CZ 3.25Å; D511-R522 IonicContact OD2-NE 2.9Å; D511-R522 PolarHBondContact OD2-NE 2.93Å; D511-R522 IonicContact OD2-NH2 3.31Å; D511-R522 PolarHBondContact OD2-NH2 3.46Å
512	D	68.9	Low	80.4	Confident	78 Å²	78	32.3 Å²	32.3	42%	0.417	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	91.4	176.1	-70.5	-40.4	0	0	0	109.1	K510 Q514 S519	K510-D512 WeakPolarHBondContact CE-OD1 3.41Å; K510-D512 VanDerWaalsContact CE-OD2 3.27Å; K510-D512 WeakPolarHBondContact CE-OD2 3.44Å; K510-D512 IonicContact NZ-OD1 2.78Å; K510-D512 IonicContact NZ-OD2 2.79Å; K510-D512 PolarHBondContact NZ-OD2 3.06Å; D512-Q514 PolarHBondContact O-N 2.97Å; D512-Q514 VanDerWaalsContact O-N 3.16Å; D512-S519 VanDerWaalsContact OD1-CB 3.23Å; D512-S519 WeakPolarHBondContact OD1-CB 3.42Å; D512-S519 PolarHBondContact OD1-OG 3.23Å
513	I	64.6	Low	80.7	Confident	25 Å²	25	31.8 Å²	31.8	13%	0.128	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	82.3	-171.2	-45	175.2	0	0	0	109.7	D511 T515 Y516 G517 I518 L1236	D511-I513 HydrophobicContact CB-CG1 4.42Å; D511-I513 PolarHBondContact O-N 2.9Å; D511-I513 WeakPolarHBondContact OD2-CD1 3.42Å; I513-T515 PolarHBondContact O-N 3.3Å; I513-Y516 HydrophobicContact CG2-CD2 3.7Å; I513-Y516 HydrophobicContact CG2-CE2 4.2Å; I513-Y516 PolarHBondContact O-N 2.88Å; I513-G517 PolarHBondContact O-N 2.97Å; I513-G517 VanDerWaalsContact O-N 3.08Å; I513-I518 PolarHBondContact N-O 3.29Å; I513-I518 PolarHBondContact O-N 2.69Å; I513-L1236 HydrophobicContact CD1-CD1 3.69Å
514	Q	58.2	Low	80.7	Confident	183 Å²	183	31.8 Å²	31.8	86%	0.855	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-49.1	-37.1	-176.6	-66	-179.2	-9.9	0	0	113.8	D512 Y516 G517	D512-Q514 PolarHBondContact O-N 2.97Å; D512-Q514 VanDerWaalsContact O-N 3.16Å; Q514-Y516 PolarHBondContact O-N 3.02Å; Q514-Y516 VanDerWaalsContact O-N 3.1Å; Q514-G517 PolarHBondContact O-N 3.08Å; Q514-G517 VanDerWaalsContact O-N 3.13Å
515	T	53.6	Low	80.8	Confident	118 Å²	118	31.8 Å²	31.8	72%	0.724	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-54.9	-28.1	178.6	-43.3	0	0	0	0	114.2	I513	I513-T515 PolarHBondContact O-N 3.3Å
516	Y	58.5	Low	80.8	Confident	87 Å²	87	31.7 Å²	31.7	34%	0.341	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-120.3	1.3	178	-51.6	-70.1	0	0	0	112.4	I513 Q514 I518 L1236 T1238	I513-Y516 HydrophobicContact CG2-CD2 3.7Å; I513-Y516 HydrophobicContact CG2-CE2 4.2Å; I513-Y516 PolarHBondContact O-N 2.88Å; Q514-Y516 PolarHBondContact O-N 3.02Å; Q514-Y516 VanDerWaalsContact O-N 3.1Å; Y516-I518 PolarHBondContact O-N 3.19Å; Y516-I518 VanDerWaalsContact O-N 3.08Å; Y516-L1236 HydrophobicContact CD2-CB 4.02Å; Y516-L1236 HydrophobicContact CD2-CD1 4.18Å; Y516-L1236 HydrophobicContact CE2-CB 3.97Å; Y516-L1236 HydrophobicContact CE2-CD1 4.01Å; Y516-T1238 WeakPolarHBondContact O-CG2 3.36Å
517	G	60.2	Low	80.7	Confident	67 Å²	67	34.4 Å²	34.4	69%	0.691	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	10	-171.2	0	0	0	0	0	115.3	I513 Q514	I513-G517 PolarHBondContact O-N 2.97Å; I513-G517 VanDerWaalsContact O-N 3.08Å; Q514-G517 PolarHBondContact O-N 3.08Å; Q514-G517 VanDerWaalsContact O-N 3.13Å
518	I	67.8	Low	80.4	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.062	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.1	-176.4	-62.9	170.2	0	0	0	109.8	I513 Y516 S1219 T1238	I513-I518 PolarHBondContact N-O 3.29Å; I513-I518 PolarHBondContact O-N 2.69Å; Y516-I518 PolarHBondContact O-N 3.19Å; Y516-I518 VanDerWaalsContact O-N 3.08Å; I518-S1219 WeakPolarHBondContact CD1-O 3.47Å; I518-T1238 HydrophobicContact CD1-CG2 4.15Å; I518-T1238 HydrophobicContact CG1-CG2 3.99Å
519	S	75.5	Confident	80	Confident	33 Å²	33	41.2 Å²	41.2	23%	0.231	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.5	171	-176.1	0	0	0	0	110.2	K510 D512 Y538	K510-S519 WeakPolarHBondContact CE-OG 3.36Å; D512-S519 VanDerWaalsContact OD1-CB 3.23Å; D512-S519 WeakPolarHBondContact OD1-CB 3.42Å; D512-S519 PolarHBondContact OD1-OG 3.23Å; S519-Y538 VanDerWaalsContact O-CB 3.22Å; S519-Y538 WeakPolarHBondContact O-CB 3.38Å; S519-Y538 PolarHBondContact O-N 3.39Å; S519-Y538 VanDerWaalsContact O-N 3.12Å; S519-Y538 VanDerWaalsContact OG-CB 3.29Å; S519-Y538 WeakPolarHBondContact OG-CB 3.25Å; S519-Y538 WeakPolarHBondContact OG-CD1 3.5Å
520	Q	84.3	Confident	79.8	Confident	4 Å²	4	42 Å²	42	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.2	-177.4	60.8	-169.7	-49.2	0	0	112.2	D511 C535	D511-Q520 HydrophobicContact CB-CG 4.34Å; D511-Q520 PolarHBondContact N-O 3.27Å; D511-Q520 PolarHBondContact O-N 3.44Å; Q520-C535 PolarHBondContact OE1-SG 3.14Å; Q520-C535 VanDerWaalsContact OE1-SG 3.35Å
521	Y	89	Confident	80.1	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.4	163.4	-64.8	-80.3	0	0	0	109.6	V508 V509 K510 C535 I536 Y538 L544 V814	V508-Y521 HydrophobicContact CG1-CD1 4.33Å; V509-Y521 CarbonylContact O-C 3.56Å; V509-Y521 WeakPolarHBondContact O-CA 3.19Å; K510-Y521 HydrophobicContact CB-CD1 4Å; K510-Y521 HydrophobicContact CB-CE1 4.03Å; K510-Y521 HydrophobicContact CG-CD1 4.32Å; K510-Y521 HydrophobicContact CG-CE1 4.24Å; Y521-C535 WeakPolarHBondContact O-CA 3.1Å; Y521-I536 PolarHBondContact N-O 2.94Å; Y521-I536 PolarHBondContact O-N 3.18Å; Y521-Y538 HydrophobicContact CD2-CD2 4.32Å; Y521-Y538 AromaticContact CE2-CD2 3.59Å; Y521-Y538 HydrophobicContact CE2-CD2 3.59Å; Y521-Y538 HydrophobicContact CE2-CE2 4.21Å; Y521-Y538 AromaticContact CZ-CD2 3.87Å; Y521-L544 HydrophobicContact CD2-CB 4.47Å; Y521-L544 HydrophobicContact CD2-CD1 3.39Å; Y521-L544 HydrophobicContact CD2-CG 3.8Å; Y521-L544 HydrophobicContact CE2-CB 4.14Å; Y521-L544 HydrophobicContact CE2-CD1 3.81Å; Y521-L544 HydrophobicContact CE2-CG 3.64Å; Y521-L544 HydrophobicContact CG-CD1 3.92Å; Y521-V814 HydrophobicContact CD1-CG1 4.05Å; Y521-V814 HydrophobicContact CE1-CB 3.97Å; Y521-V814 HydrophobicContact CE1-CG1 3.62Å
522	R	91.9	Very high	80.7	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.011	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.7	164.7	-61.7	-173.6	-167.6	-83.3	0.3	109.2	W481 F486 V508 V509 D511 L534 C535	W481-R522 HydrophobicContact CE3-CB 4.17Å; W481-R522 HydrophobicContact CH2-CG 4.49Å; W481-R522 HydrophobicContact CZ3-CB 3.8Å; W481-R522 HydrophobicContact CZ3-CG 4.19Å; F486-R522 HydrophobicContact CE2-CB 4.22Å; F486-R522 HydrophobicContact CZ-CB 4.14Å; F486-R522 WeakPolarHBondContact CZ-O 3.41Å; V508-R522 WeakPolarHBondContact CA-O 3.26Å; V509-R522 HydrophobicContact CG1-CB 3.92Å; V509-R522 PolarHBondContact N-O 2.78Å; V509-R522 PolarHBondContact O-N 3.19Å; D511-R522 HydrophobicContact CB-CG 4.34Å; D511-R522 IonicContact OD2-CZ 3.89Å; D511-R522 VanDerWaalsContact OD2-CZ 3.25Å; D511-R522 IonicContact OD2-NE 2.9Å; D511-R522 PolarHBondContact OD2-NE 2.93Å; D511-R522 IonicContact OD2-NH2 3.31Å; D511-R522 PolarHBondContact OD2-NH2 3.46Å; R522-L534 WeakPolarHBondContact CA-O 3.42Å; R522-C535 PolarHBondContact NH1-SG 3.43Å
523	A	94.4	Very high	81.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.1	175.2	0	0	0	0	0	111.4	L506 A507 V508 K533 L534 V549 F553	L506-A523 HydrophobicContact CD1-CB 4.34Å; A507-A523 VanDerWaalsContact O-CA 3.26Å; A507-A523 WeakPolarHBondContact O-CA 3.36Å; V508-A523 HydrophobicContact CG2-CB 4.45Å; A523-K533 WeakPolarHBondContact O-CA 3.33Å; A523-L534 PolarHBondContact N-O 3.42Å; A523-L534 PolarHBondContact O-N 2.62Å; A523-V549 HydrophobicContact CB-CG1 3.64Å; A523-F553 HydrophobicContact CB-CE2 3.84Å; A523-F553 HydrophobicContact CB-CZ 3.93Å
524	I	96	Very high	83.1	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.1	168.9	-49.1	166.7	0	0	0	107.6	W481 Y482 F486 L506 A507 W526 Q532 K533	W481-I524 HydrophobicContact CB-CD1 3.59Å; W481-I524 HydrophobicContact CB-CG1 4.05Å; W481-I524 HydrophobicContact CE3-CG1 3.93Å; Y482-I524 HydrophobicContact CD2-CD1 4.18Å; Y482-I524 HydrophobicContact CG-CD1 4.48Å; F486-I524 HydrophobicContact CD2-CD1 4Å; F486-I524 HydrophobicContact CE2-CD1 3.57Å; F486-I524 HydrophobicContact CE2-CG1 3.82Å; F486-I524 HydrophobicContact CZ-CD1 3.94Å; F486-I524 HydrophobicContact CZ-CG1 3.83Å; L506-I524 CarbonylContact C-O 3.58Å; L506-I524 WeakPolarHBondContact CA-O 3.2Å; A507-I524 PolarHBondContact N-O 2.93Å; A507-I524 PolarHBondContact O-N 2.75Å; I524-W526 HydrophobicContact CB-CE3 4.4Å; I524-W526 HydrophobicContact CB-CH2 3.88Å; I524-W526 HydrophobicContact CB-CZ2 4.21Å; I524-W526 HydrophobicContact CB-CZ3 3.97Å; I524-W526 HydrophobicContact CD1-CH2 3.77Å; I524-W526 HydrophobicContact CD1-CZ2 4.01Å; I524-W526 HydrophobicContact CG1-CH2 4.47Å; I524-W526 HydrophobicContact CG2-CD2 3.86Å; I524-W526 HydrophobicContact CG2-CE3 3.99Å; I524-W526 HydrophobicContact CG2-CH2 3.74Å; I524-W526 HydrophobicContact CG2-CZ2 3.55Å; I524-W526 HydrophobicContact CG2-CZ3 3.94Å; I524-Q532 WeakPolarHBondContact CA-O 3.48Å; I524-K533 HydrophobicContact CG1-CG 4.44Å; I524-K533 HydrophobicContact CG2-CG 4.18Å
525	L	95.6	Very high	84.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	109.3	174.7	176.4	69.2	0	0	0	109.3	F504 L505 L506 R527 S531 Q532 L550 F553 I555	F504-L525 HydrophobicContact CB-CD1 3.99Å; F504-L525 HydrophobicContact CD2-CD1 3.78Å; F504-L525 HydrophobicContact CG-CD1 4.19Å; L505-L525 CarbonylContact O-C 3.49Å; L505-L525 WeakPolarHBondContact O-CA 3.33Å; L506-L525 HydrophobicContact CB-CD1 4.14Å; L506-L525 HydrophobicContact CD1-CB 4.23Å; L506-L525 HydrophobicContact CD1-CD1 4.37Å; L525-R527 HydrophobicContact CD2-CG 4.5Å; L525-R527 HydrophobicContact CG-CG 4.29Å; L525-S531 CarbonylContact O-C 3.15Å; L525-S531 VanDerWaalsContact O-CA 3.23Å; L525-S531 WeakPolarHBondContact O-CA 3.47Å; L525-Q532 PolarHBondContact N-O 3.41Å; L525-Q532 PolarHBondContact O-N 3.29Å; L525-L550 HydrophobicContact CD1-CD2 3.91Å; L525-L550 HydrophobicContact CD2-CD2 4.42Å; L525-F553 HydrophobicContact CB-CD1 4.05Å; L525-F553 HydrophobicContact CB-CD2 4.09Å; L525-F553 HydrophobicContact CB-CE1 3.81Å; L525-F553 HydrophobicContact CB-CE2 3.84Å; L525-F553 HydrophobicContact CB-CG 4.19Å; L525-F553 HydrophobicContact CB-CZ 3.7Å; L525-F553 HydrophobicContact CD2-CB 3.72Å; L525-F553 HydrophobicContact CD2-CD1 3.93Å; L525-F553 HydrophobicContact CD2-CD2 4Å; L525-F553 HydrophobicContact CD2-CG 3.63Å; L525-I555 HydrophobicContact CD2-CD1 3.43Å; L525-I555 VanDerWaalsContact CD2-CD1 3.43Å
526	W	96.3	Very high	86.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.4	170	-65.6	-87.3	0	0	0	110.7	Y482 F504 L505 A507 I524 A574 L577 E578 E581 L789	Y482-W526 AromaticContact CD2-CH2 3.83Å; Y482-W526 HydrophobicContact CD2-CH2 3.83Å; Y482-W526 HydrophobicContact CG-CH2 4.04Å; Y482-W526 HydrophobicContact CG-CZ2 4.49Å; F504-W526 VanDerWaalsContact CA-O 3.23Å; F504-W526 WeakPolarHBondContact CA-O 3.44Å; F504-W526 WeakPolarHBondContact CB-O 3.15Å; L505-W526 HydrophobicContact CB-CB 4.46Å; L505-W526 HydrophobicContact CB-CE3 4.13Å; L505-W526 HydrophobicContact CD2-CE3 3.85Å; L505-W526 HydrophobicContact CD2-CZ3 4.01Å; L505-W526 HydrophobicContact CG-CE3 4Å; L505-W526 HydrophobicContact CG-CZ3 4.33Å; L505-W526 PolarHBondContact N-O 2.81Å; L505-W526 PolarHBondContact O-N 2.81Å; A507-W526 HydrophobicContact CB-CH2 4.24Å; A507-W526 HydrophobicContact CB-CZ3 3.8Å; I524-W526 HydrophobicContact CB-CE3 4.4Å; I524-W526 HydrophobicContact CB-CH2 3.88Å; I524-W526 HydrophobicContact CB-CZ2 4.21Å; I524-W526 HydrophobicContact CB-CZ3 3.97Å; I524-W526 HydrophobicContact CD1-CH2 3.77Å; I524-W526 HydrophobicContact CD1-CZ2 4.01Å; I524-W526 HydrophobicContact CG1-CH2 4.47Å; I524-W526 HydrophobicContact CG2-CD2 3.86Å; I524-W526 HydrophobicContact CG2-CE3 3.99Å; I524-W526 HydrophobicContact CG2-CH2 3.74Å; I524-W526 HydrophobicContact CG2-CZ2 3.55Å; I524-W526 HydrophobicContact CG2-CZ3 3.94Å; W526-A574 HydrophobicContact CH2-CB 4.38Å; W526-L577 HydrophobicContact CB-CD1 4.19Å; W526-L577 HydrophobicContact CD2-CB 4.38Å; W526-L577 HydrophobicContact CD2-CD1 4.2Å; W526-L577 HydrophobicContact CG-CB 4.25Å; W526-L577 HydrophobicContact CG-CD1 4.04Å; W526-E578 HydrophobicContact CZ2-CB 4.44Å; W526-E581 PolarHBondContact NE1-OE1 3.04Å; W526-L789 HydrophobicContact CB-CD2 3.98Å
527	R	93.7	Very high	87.2	Confident	58 Å²	58	28.3 Å²	28.3	22%	0.219	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	171.6	169.4	-70	172.1	67.7	-164.4	4.8	108.6	D502 F504 L525 T529 G530 I785 L789	D502-R527 IonicContact OD2-CZ 2.66Å; D502-R527 IonicContact OD2-NE 3.13Å; D502-R527 PolarHBondContact OD2-NE 2.97Å; D502-R527 IonicContact OD2-NH2 3.62Å; D502-R527 PolarHBondContact OD2-NH2 2.85Å; F504-R527 HydrophobicContact CB-CG 4.04Å; L525-R527 HydrophobicContact CD2-CG 4.5Å; L525-R527 HydrophobicContact CG-CG 4.29Å; R527-T529 PolarHBondContact O-N 2.88Å; R527-G530 PolarHBondContact N-O 3.23Å; R527-G530 PolarHBondContact O-N 3.26Å; R527-I785 VanDerWaalsContact O-CG2 3.31Å; R527-I785 WeakPolarHBondContact O-CG2 3.28Å; R527-L789 VanDerWaalsContact C-CD1 3.4Å
528	K	90.5	Very high	87.8	Confident	48 Å²	48	27.5 Å²	27.5	21%	0.209	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.3	174.8	66.9	-170.7	-179.4	-176	0	114.5	R501 D502 G530 Q782 E786	R501-K528 PolarHBondContact O-NZ 3.42Å; D502-K528 WeakPolarHBondContact OD1-CD 3.42Å; D502-K528 WeakPolarHBondContact OD1-CE 3.46Å; D502-K528 WeakPolarHBondContact OD1-CG 3.49Å; D502-K528 IonicContact OD1-NZ 3.37Å; K528-G530 VanDerWaalsContact C-N 3.31Å; K528-Q782 HydrophobicContact CB-CG 4.38Å; K528-Q782 WeakPolarHBondContact O-CA 3.19Å; K528-Q782 WeakPolarHBondContact O-CB 3.16Å; K528-Q782 WeakPolarHBondContact O-CG 3.49Å; K528-Q782 PolarHBondContact O-NE2 2.91Å; K528-E786 HydrophobicContact CB-CB 3.79Å; K528-E786 HydrophobicContact CB-CG 4.19Å; K528-E786 HydrophobicContact CD-CG 4.3Å; K528-E786 WeakPolarHBondContact CD-OE1 3.23Å; K528-E786 IonicContact NZ-OE1 2.58Å
529	T	86.6	Confident	88	Confident	96 Å²	96	30.6 Å²	30.6	59%	0.589	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.9	174.9	49.2	0	0	0	0	113.8	R527	R527-T529 PolarHBondContact O-N 2.88Å
530	G	87.7	Confident	87.6	Confident	19 Å²	19	33.7 Å²	33.7	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.6	-168.8	-170.9	0	0	0	0	0	111.6	R527 K528	R527-G530 PolarHBondContact N-O 3.23Å; R527-G530 PolarHBondContact O-N 3.26Å; K528-G530 VanDerWaalsContact C-N 3.31Å
531	S	91.5	Very high	87	Confident	30 Å²	30	38.9 Å²	38.9	21%	0.21	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.7	173.8	69.9	0	0	0	0	113.2	L525 K533 E581	L525-S531 CarbonylContact O-C 3.15Å; L525-S531 VanDerWaalsContact O-CA 3.23Å; L525-S531 WeakPolarHBondContact O-CA 3.47Å; S531-K533 PolarHBondContact OG-NZ 3.19Å; S531-E581 WeakPolarHBondContact CB-OE1 3.37Å; S531-E581 PolarHBondContact OG-OE1 3.32Å; S531-E581 PolarHBondContact OG-OE2 3.38Å; S531-E581 VanDerWaalsContact OG-OE2 3.1Å
532	Q	91.2	Very high	86.1	Confident	68 Å²	68	43 Å²	43	32%	0.318	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.7	167.8	-61.9	177.3	-86.5	0	0	107.9	I524 L525 F553	I524-Q532 WeakPolarHBondContact CA-O 3.48Å; L525-Q532 PolarHBondContact N-O 3.41Å; L525-Q532 PolarHBondContact O-N 3.29Å; Q532-F553 HydrophobicContact CB-CD1 3.72Å; Q532-F553 HydrophobicContact CB-CE1 3.59Å
533	K	92.7	Very high	85.2	Confident	38 Å²	38	44.2 Å²	44.2	17%	0.165	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134	-173.7	-62.2	-178.8	174.8	83.5	0	108.6	T479 W481 A523 I524 S531 E581 T1200	T479-K533 WeakPolarHBondContact O-CE 3.21Å; W481-K533 HydrophobicContact CB-CD 4.23Å; W481-K533 HydrophobicContact CD2-CB 4.15Å; W481-K533 HydrophobicContact CD2-CD 3.92Å; W481-K533 HydrophobicContact CD2-CG 4.33Å; W481-K533 HydrophobicContact CE3-CB 4Å; W481-K533 HydrophobicContact CE3-CD 4.42Å; W481-K533 HydrophobicContact CE3-CG 4.34Å; W481-K533 HydrophobicContact CG-CD 3.78Å; W481-K533 HydrophobicContact CH2-CB 4.17Å; W481-K533 HydrophobicContact CZ2-CB 4.36Å; W481-K533 HydrophobicContact CZ3-CB 3.98Å; A523-K533 WeakPolarHBondContact O-CA 3.33Å; I524-K533 HydrophobicContact CG1-CG 4.44Å; I524-K533 HydrophobicContact CG2-CG 4.18Å; S531-K533 PolarHBondContact OG-NZ 3.19Å; K533-E581 IonicContact NZ-OE1 3.54Å; K533-E581 IonicContact NZ-OE2 3.17Å; K533-E581 PolarHBondContact NZ-OE2 3.11Å; K533-T1200 HydrophobicContact CB-CG2 4.44Å
534	L	91	Very high	84.5	Confident	15 Å²	15	45 Å²	45	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.8	-177.6	-73.1	177.1	0	0	0	112	W481 R522 A523 I536 F552 F553	W481-L534 WeakPolarHBondContact CZ3-O 3.46Å; R522-L534 WeakPolarHBondContact CA-O 3.42Å; A523-L534 PolarHBondContact N-O 3.42Å; A523-L534 PolarHBondContact O-N 2.62Å; L534-I536 HydrophobicContact CB-CG1 4.47Å; L534-F552 HydrophobicContact CD1-CB 3.97Å; L534-F552 WeakPolarHBondContact CD1-O 3.41Å; L534-F553 HydrophobicContact CB-CE1 4.19Å; L534-F553 HydrophobicContact CB-CZ 4.03Å; L534-F553 HydrophobicContact CD1-CD1 3.55Å; L534-F553 HydrophobicContact CD1-CD2 4.07Å; L534-F553 HydrophobicContact CD1-CE1 3.49Å; L534-F553 VanDerWaalsContact CD1-CE1 3.49Å; L534-F553 HydrophobicContact CD1-CE2 4.02Å; L534-F553 HydrophobicContact CD1-CG 3.85Å; L534-F553 HydrophobicContact CD1-CZ 3.75Å; L534-F553 HydrophobicContact CG-CD1 4.06Å; L534-F553 HydrophobicContact CG-CE1 3.55Å; L534-F553 HydrophobicContact CG-CZ 3.88Å
535	C	89.1	Confident	83.9	Confident	8 Å²	8	45.9 Å²	45.9	5%	0.054	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	162.9	-72.7	0	0	0	0	108.9	W481 Q520 Y521 R522 T1200 F1201	W481-C535 WeakPolarHBondContact CH2-SG 3.45Å; Q520-C535 PolarHBondContact OE1-SG 3.14Å; Q520-C535 VanDerWaalsContact OE1-SG 3.35Å; Y521-C535 WeakPolarHBondContact O-CA 3.1Å; R522-C535 PolarHBondContact NH1-SG 3.43Å; C535-T1200 PolarHBondContact N-O 3.32Å; C535-F1201 HydrophobicContact CB-CD1 3.52Å; C535-F1201 HydrophobicContact CB-CD2 4.44Å; C535-F1201 HydrophobicContact CB-CE1 3.48Å; C535-F1201 VanDerWaalsContact CB-CE1 3.48Å; C535-F1201 HydrophobicContact CB-CE2 4.39Å; C535-F1201 HydrophobicContact CB-CG 4.03Å; C535-F1201 HydrophobicContact CB-CZ 3.96Å; C535-F1201 WeakPolarHBondContact SG-CE1 3.44Å; C535-F1201 WeakPolarHBondContact SG-CZ 3.3Å
536	I	86.5	Confident	83.5	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.087	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.1	-179.6	-51.3	165.7	0	0	0	107.6	Y521 L534 Y538 L544 V549 F552	Y521-I536 PolarHBondContact N-O 2.94Å; Y521-I536 PolarHBondContact O-N 3.18Å; L534-I536 HydrophobicContact CB-CG1 4.47Å; I536-Y538 PolarHBondContact O-N 2.87Å; I536-L544 HydrophobicContact CB-CD1 4.25Å; I536-L544 HydrophobicContact CD1-CD1 4.06Å; I536-L544 HydrophobicContact CG2-CD1 3.89Å; I536-V549 HydrophobicContact CD1-CG1 4.36Å; I536-V549 HydrophobicContact CD1-CG2 4.43Å; I536-F552 HydrophobicContact CD1-CB 4.06Å; I536-F552 HydrophobicContact CD1-CD2 3.73Å; I536-F552 HydrophobicContact CD1-CE2 4.35Å; I536-F552 HydrophobicContact CD1-CG 3.97Å; I536-F552 HydrophobicContact CG1-CG 4.43Å; I536-F552 HydrophobicContact CG2-CD2 4.45Å; I536-F552 HydrophobicContact CG2-CE1 4.37Å; I536-F552 HydrophobicContact CG2-CE2 4.09Å; I536-F552 HydrophobicContact CG2-CZ 4.05Å
537	S	79	Confident	83	Confident	75 Å²	75	52.1 Å²	52.1	52%	0.524	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	134.9	-178	-49.3	0	0	0	0	111.8	N539	S537-N539 PolarHBondContact O-N 2.81Å
538	Y	74.6	Confident	82.7	Confident	50 Å²	50	52.9 Å²	52.9	20%	0.196	30%	0.295	C	S	.	.			trans	-73.3	127.9	177.8	-179.3	-108.4	0	0	0	110.4	K510 S519 Y521 I536 P540 D816	K510-Y538 HydrophobicContact CD-CD2 4.33Å; K510-Y538 HydrophobicContact CD-CE2 4.17Å; K510-Y538 VanDerWaalsContact CE-CE2 3.45Å; S519-Y538 VanDerWaalsContact O-CB 3.22Å; S519-Y538 WeakPolarHBondContact O-CB 3.38Å; S519-Y538 PolarHBondContact O-N 3.39Å; S519-Y538 VanDerWaalsContact O-N 3.12Å; S519-Y538 VanDerWaalsContact OG-CB 3.29Å; S519-Y538 WeakPolarHBondContact OG-CB 3.25Å; S519-Y538 WeakPolarHBondContact OG-CD1 3.5Å; Y521-Y538 HydrophobicContact CD2-CD2 4.32Å; Y521-Y538 AromaticContact CE2-CD2 3.59Å; Y521-Y538 HydrophobicContact CE2-CD2 3.59Å; Y521-Y538 HydrophobicContact CE2-CE2 4.21Å; Y521-Y538 AromaticContact CZ-CD2 3.87Å; I536-Y538 PolarHBondContact O-N 2.87Å; Y538-P540 HydrophobicContact CD1-CG 4.05Å; Y538-P540 HydrophobicContact CE1-CB 3.98Å; Y538-P540 HydrophobicContact CE1-CG 3.67Å; Y538-D816 PolarHBondContact OH-OD2 3.21Å
539	N	70.5	Confident	82.7	Confident	77 Å²	77	50.6 Å²	50.6	41%	0.412	29%	0.285	S	S	.	.			trans	-115.1	113.1	166.2	-176.8	-24.9	0	0	0	108.2	S537 T541 N542	S537-N539 PolarHBondContact O-N 2.81Å; N539-T541 PolarHBondContact O-N 2.93Å; N539-T541 VanDerWaalsContact O-N 3.11Å; N539-T541 WeakPolarHBondContact OD1-CB 3.13Å; N539-T541 PolarHBondContact OD1-N 3.4Å; N539-T541 PolarHBondContact OD1-OG1 3.08Å; N539-N542 HydrophobicContact CB-CB 4.16Å; N539-N542 CarbonylContact O-C 3.53Å; N539-N542 PolarHBondContact O-N 2.82Å
540	P	67.7	Low	82.8	Confident	99 Å²	99	46.1 Å²	46.1	64%	0.643	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.7	-178.3	-22.5	28.9	0	0	0	114	Y538 N542	Y538-P540 HydrophobicContact CD1-CG 4.05Å; Y538-P540 HydrophobicContact CE1-CB 3.98Å; Y538-P540 HydrophobicContact CE1-CG 3.67Å; P540-N542 VanDerWaalsContact C-N 3.29Å; P540-N542 PolarHBondContact O-N 2.88Å
541	T	70.9	Confident	82.8	Confident	113 Å²	113	46.6 Å²	46.6	69%	0.693	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.9	179.5	68.4	0	0	0	0	113.6	N539	N539-T541 PolarHBondContact O-N 2.93Å; N539-T541 VanDerWaalsContact O-N 3.11Å; N539-T541 WeakPolarHBondContact OD1-CB 3.13Å; N539-T541 PolarHBondContact OD1-N 3.4Å; N539-T541 PolarHBondContact OD1-OG1 3.08Å
542	N	70.2	Confident	82.6	Confident	89 Å²	89	47 Å²	47	48%	0.476	25%	0.254	S	S	.	.	S	Bend	trans	-139.4	54.6	-160.6	-96.2	-77.2	0	0	0	112.5	N539 P540 L544	N539-N542 HydrophobicContact CB-CB 4.16Å; N539-N542 CarbonylContact O-C 3.53Å; N539-N542 PolarHBondContact O-N 2.82Å; P540-N542 VanDerWaalsContact C-N 3.29Å; P540-N542 PolarHBondContact O-N 2.88Å; N542-L544 PolarHBondContact O-N 3.2Å
543	A	72.7	Confident	82.4	Confident	29 Å²	29	44.5 Å²	44.5	24%	0.24	24%	0.242	C	C	.	.			trans	-50.6	141.3	176.8	0	0	0	0	0	112.6	K548 V813	A543-K548 PolarHBondContact O-NZ 2.8Å; A543-V813 HydrophobicContact CB-CG1 3.45Å; A543-V813 VanDerWaalsContact CB-CG1 3.45Å
544	L	81.4	Confident	82	Confident	15 Å²	15	45.2 Å²	45.2	8%	0.079	25%	0.248	C	C	.	.			trans	-82.9	161.9	-175.1	-60.8	-174.5	0	0	0	111.7	Y521 I536 N542 K548 V549 F552 V814	Y521-L544 HydrophobicContact CD2-CB 4.47Å; Y521-L544 HydrophobicContact CD2-CD1 3.39Å; Y521-L544 HydrophobicContact CD2-CG 3.8Å; Y521-L544 HydrophobicContact CE2-CB 4.14Å; Y521-L544 HydrophobicContact CE2-CD1 3.81Å; Y521-L544 HydrophobicContact CE2-CG 3.64Å; Y521-L544 HydrophobicContact CG-CD1 3.92Å; I536-L544 HydrophobicContact CB-CD1 4.25Å; I536-L544 HydrophobicContact CD1-CD1 4.06Å; I536-L544 HydrophobicContact CG2-CD1 3.89Å; N542-L544 PolarHBondContact O-N 3.2Å; L544-K548 HydrophobicContact CD2-CB 4.23Å; L544-K548 HydrophobicContact CD2-CD 4.02Å; L544-V549 HydrophobicContact CB-CG2 4.16Å; L544-V549 HydrophobicContact CD1-CG2 4.03Å; L544-F552 HydrophobicContact CD2-CE2 4.23Å; L544-V814 HydrophobicContact CB-CG2 4.39Å; L544-V814 WeakPolarHBondContact O-CG2 3.32Å; L544-V814 PolarHBondContact O-N 2.75Å
545	T	83.8	Confident	81.7	Confident	19 Å²	19	45.3 Å²	45.3	12%	0.117	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-126.2	160.8	166.6	68.2	0	0	0	0	107.9	K547 K548 V549	T545-K547 PolarHBondContact O-N 3.47Å; T545-K547 VanDerWaalsContact O-N 3.13Å; T545-K548 WeakPolarHBondContact O-CA 3.48Å; T545-K548 WeakPolarHBondContact O-CB 3.19Å; T545-K548 PolarHBondContact O-N 3.49Å; T545-K548 PolarHBondContact OG1-N 3Å; T545-V549 PolarHBondContact O-N 2.65Å
546	A	86.4	Confident	81.2	Confident	7 Å²	7	49 Å²	49	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-54.1	-36	177.8	0	0	0	0	0	112.8	L506 V549 L550 P562	L506-A546 HydrophobicContact CD2-CB 4.3Å; A546-V549 PolarHBondContact O-N 2.82Å; A546-L550 WeakPolarHBondContact O-CG 3.35Å; A546-L550 PolarHBondContact O-N 3.04Å; A546-P562 HydrophobicContact CB-CB 4.33Å; A546-P562 HydrophobicContact CB-CG 4Å
547	K	86	Confident	80.7	Confident	124 Å²	124	59 Å²	59	54%	0.539	30%	0.301	S	S	.	.	H	α-helix	trans	-68.2	-39.5	173.4	-171.2	175.7	-180	179.6	0	112.5	T545 V549 N551	T545-K547 PolarHBondContact O-N 3.47Å; T545-K547 VanDerWaalsContact O-N 3.13Å; K547-V549 VanDerWaalsContact C-N 3.32Å; K547-V549 PolarHBondContact O-N 2.84Å; K547-N551 PolarHBondContact O-N 2.7Å; K547-N551 PolarHBondContact O-ND2 3.2Å
548	K	86.9	Confident	80.5	Confident	74 Å²	74	57.2 Å²	57.2	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-42.4	171.6	-73.7	178.3	176.1	-177.8	0	110.8	A543 L544 T545 N551 F552	A543-K548 PolarHBondContact O-NZ 2.8Å; L544-K548 HydrophobicContact CD2-CB 4.23Å; L544-K548 HydrophobicContact CD2-CD 4.02Å; T545-K548 WeakPolarHBondContact O-CA 3.48Å; T545-K548 WeakPolarHBondContact O-CB 3.19Å; T545-K548 PolarHBondContact O-N 3.49Å; T545-K548 PolarHBondContact OG1-N 3Å; K548-N551 WeakPolarHBondContact O-CB 3.39Å; K548-N551 PolarHBondContact O-N 3.11Å; K548-F552 WeakPolarHBondContact O-CD2 3.47Å; K548-F552 PolarHBondContact O-N 3.04Å
549	V	89.9	Confident	80.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-45.8	178.2	177.3	0	0	0	0	111.9	L506 V508 A523 I536 L544 T545 A546 K547 N551 F552 F553	L506-V549 HydrophobicContact CD1-CG1 3.93Å; L506-V549 HydrophobicContact CD2-CB 4.41Å; L506-V549 HydrophobicContact CD2-CG1 4.18Å; V508-V549 HydrophobicContact CG1-CG2 4.36Å; V508-V549 HydrophobicContact CG2-CB 4.49Å; V508-V549 HydrophobicContact CG2-CG1 4.09Å; V508-V549 HydrophobicContact CG2-CG2 4.29Å; A523-V549 HydrophobicContact CB-CG1 3.64Å; I536-V549 HydrophobicContact CD1-CG1 4.36Å; I536-V549 HydrophobicContact CD1-CG2 4.43Å; L544-V549 HydrophobicContact CB-CG2 4.16Å; L544-V549 HydrophobicContact CD1-CG2 4.03Å; T545-V549 PolarHBondContact O-N 2.65Å; A546-V549 PolarHBondContact O-N 2.82Å; K547-V549 VanDerWaalsContact C-N 3.32Å; K547-V549 PolarHBondContact O-N 2.84Å; V549-N551 VanDerWaalsContact C-N 3.25Å; V549-N551 PolarHBondContact O-N 2.81Å; V549-F552 WeakPolarHBondContact O-CB 3.3Å; V549-F552 PolarHBondContact O-N 3.19Å; V549-F553 HydrophobicContact CG1-CD2 4.33Å; V549-F553 HydrophobicContact CG1-CE2 3.91Å; V549-F553 WeakPolarHBondContact O-CD2 3.43Å; V549-F553 PolarHBondContact O-N 3.31Å
550	L	90	Very high	80.3	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-34.5	174.4	-72.7	177.7	0	0	0	112.9	F504 L506 L525 A546 F552 F553 D554 I555 V558 P562	F504-L550 HydrophobicContact CE2-CD1 4.13Å; F504-L550 HydrophobicContact CE2-CD2 4.25Å; F504-L550 HydrophobicContact CZ-CD1 4Å; L506-L550 HydrophobicContact CD2-CD2 4.04Å; L506-L550 HydrophobicContact CD2-CG 4.05Å; L525-L550 HydrophobicContact CD1-CD2 3.91Å; L525-L550 HydrophobicContact CD2-CD2 4.42Å; A546-L550 WeakPolarHBondContact O-CG 3.35Å; A546-L550 PolarHBondContact O-N 3.04Å; L550-F552 PolarHBondContact O-N 3.48Å; L550-F553 CarbonylContact O-C 3.05Å; L550-F553 WeakPolarHBondContact O-CA 3.41Å; L550-F553 PolarHBondContact O-N 3.31Å; L550-D554 PolarHBondContact O-N 2.91Å; L550-I555 CarbonylContact C-O 3.46Å; L550-I555 HydrophobicContact CB-CB 4.14Å; L550-I555 HydrophobicContact CB-CG2 4.14Å; L550-I555 HydrophobicContact CD1-CG2 4.43Å; L550-I555 HydrophobicContact CD2-CD1 4.24Å; L550-I555 HydrophobicContact CD2-CG2 4.47Å; L550-I555 WeakPolarHBondContact O-CB 3.49Å; L550-I555 PolarHBondContact O-N 3.45Å; L550-V558 HydrophobicContact CD1-CG2 4.03Å; L550-P562 HydrophobicContact CD1-CB 4.18Å; L550-P562 HydrophobicContact CD1-CG 3.87Å
551	N	87.7	Confident	80.5	Confident	29 Å²	29	58.6 Å²	58.6	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-20.8	173.6	-73	-66.3	0	0	0	113.8	K547 K548 V549 D554 H556	K547-N551 PolarHBondContact O-N 2.7Å; K547-N551 PolarHBondContact O-ND2 3.2Å; K548-N551 WeakPolarHBondContact O-CB 3.39Å; K548-N551 PolarHBondContact O-N 3.11Å; V549-N551 VanDerWaalsContact C-N 3.25Å; V549-N551 PolarHBondContact O-N 2.81Å; N551-D554 PolarHBondContact O-N 2.64Å; N551-H556 PolarHBondContact OD1-ND1 2.95Å
552	F	86.7	Confident	81	Confident	39 Å²	39	53.8 Å²	53.8	17%	0.171	26%	0.258	C	S	.	.	H	α-helix	trans	-80.3	-17.3	170.2	-70.6	-80.3	0	0	0	112.4	L534 I536 L544 K548 V549 L550 D554 R1096	L534-F552 HydrophobicContact CD1-CB 3.97Å; L534-F552 WeakPolarHBondContact CD1-O 3.41Å; I536-F552 HydrophobicContact CD1-CB 4.06Å; I536-F552 HydrophobicContact CD1-CD2 3.73Å; I536-F552 HydrophobicContact CD1-CE2 4.35Å; I536-F552 HydrophobicContact CD1-CG 3.97Å; I536-F552 HydrophobicContact CG1-CG 4.43Å; I536-F552 HydrophobicContact CG2-CD2 4.45Å; I536-F552 HydrophobicContact CG2-CE1 4.37Å; I536-F552 HydrophobicContact CG2-CE2 4.09Å; I536-F552 HydrophobicContact CG2-CZ 4.05Å; L544-F552 HydrophobicContact CD2-CE2 4.23Å; K548-F552 WeakPolarHBondContact O-CD2 3.47Å; K548-F552 PolarHBondContact O-N 3.04Å; V549-F552 WeakPolarHBondContact O-CB 3.3Å; V549-F552 PolarHBondContact O-N 3.19Å; L550-F552 PolarHBondContact O-N 3.48Å; F552-D554 VanDerWaalsContact C-N 3.3Å; F552-R1096 VanDerWaalsContact O-CD 3.29Å; F552-R1096 WeakPolarHBondContact O-CD 3.3Å; F552-R1096 PolarHBondContact O-NH1 3.36Å
553	F	87.2	Confident	81.7	Confident	15 Å²	15	53.1 Å²	53.1	7%	0.066	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	18	166.2	-65.9	-78.3	0	0	0	113.1	L506 A523 L525 Q532 L534 V549 L550 I555	L506-F553 HydrophobicContact CD1-CD2 4.47Å; L506-F553 HydrophobicContact CD1-CE2 3.83Å; A523-F553 HydrophobicContact CB-CE2 3.84Å; A523-F553 HydrophobicContact CB-CZ 3.93Å; L525-F553 HydrophobicContact CB-CD1 4.05Å; L525-F553 HydrophobicContact CB-CD2 4.09Å; L525-F553 HydrophobicContact CB-CE1 3.81Å; L525-F553 HydrophobicContact CB-CE2 3.84Å; L525-F553 HydrophobicContact CB-CG 4.19Å; L525-F553 HydrophobicContact CB-CZ 3.7Å; L525-F553 HydrophobicContact CD2-CB 3.72Å; L525-F553 HydrophobicContact CD2-CD1 3.93Å; L525-F553 HydrophobicContact CD2-CD2 4Å; L525-F553 HydrophobicContact CD2-CG 3.63Å; Q532-F553 HydrophobicContact CB-CD1 3.72Å; Q532-F553 HydrophobicContact CB-CE1 3.59Å; L534-F553 HydrophobicContact CB-CE1 4.19Å; L534-F553 HydrophobicContact CB-CZ 4.03Å; L534-F553 HydrophobicContact CD1-CD1 3.55Å; L534-F553 HydrophobicContact CD1-CD2 4.07Å; L534-F553 HydrophobicContact CD1-CE1 3.49Å; L534-F553 VanDerWaalsContact CD1-CE1 3.49Å; L534-F553 HydrophobicContact CD1-CE2 4.02Å; L534-F553 HydrophobicContact CD1-CG 3.85Å; L534-F553 HydrophobicContact CD1-CZ 3.75Å; L534-F553 HydrophobicContact CG-CD1 4.06Å; L534-F553 HydrophobicContact CG-CE1 3.55Å; L534-F553 HydrophobicContact CG-CZ 3.88Å; V549-F553 HydrophobicContact CG1-CD2 4.33Å; V549-F553 HydrophobicContact CG1-CE2 3.91Å; V549-F553 WeakPolarHBondContact O-CD2 3.43Å; V549-F553 PolarHBondContact O-N 3.31Å; L550-F553 CarbonylContact O-C 3.05Å; L550-F553 WeakPolarHBondContact O-CA 3.41Å; L550-F553 PolarHBondContact O-N 3.31Å; F553-I555 HydrophobicContact CB-CD1 4.19Å; F553-I555 PolarHBondContact O-N 2.83Å; F553-I555 VanDerWaalsContact O-N 3.11Å
554	D	82.9	Confident	82.4	Confident	53 Å²	53	53.4 Å²	53.4	28%	0.283	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	16.4	-172.7	-77.1	-32.6	0	0	0	115.8	L550 N551 F552 H556 R1096	L550-D554 PolarHBondContact O-N 2.91Å; N551-D554 PolarHBondContact O-N 2.64Å; F552-D554 VanDerWaalsContact C-N 3.3Å; D554-H556 PolarHBondContact O-N 2.92Å; D554-H556 IonicContact OD1-NE2 2.67Å; D554-R1096 VanDerWaalsContact CG-NH2 3.28Å; D554-R1096 IonicContact OD1-CZ 3.56Å; D554-R1096 VanDerWaalsContact OD1-CZ 3.24Å; D554-R1096 IonicContact OD1-NH1 3.44Å; D554-R1096 PolarHBondContact OD1-NH1 3.36Å; D554-R1096 IonicContact OD1-NH2 2.72Å; D554-R1096 PolarHBondContact OD1-NH2 3.08Å; D554-R1096 IonicContact OD2-CZ 3.88Å; D554-R1096 IonicContact OD2-NH1 2.78Å; D554-R1096 PolarHBondContact OD2-NH1 2.98Å; D554-R1096 IonicContact OD2-NH2 3.61Å; D554-R1096 PolarHBondContact OD2-NH2 2.94Å
555	I	85.1	Confident	82.8	Confident	17 Å²	17	53.6 Å²	53.6	9%	0.087	26%	0.255	C	S	.	.			trans	-88.3	90.8	176.2	-68.2	162.2	0	0	0	109.2	L498 L525 L550 F553 V558	L498-I555 HydrophobicContact CD1-CD1 3.63Å; L498-I555 HydrophobicContact CD1-CG1 4.02Å; L498-I555 HydrophobicContact CD1-CG2 4.45Å; L498-I555 HydrophobicContact CD2-CD1 4.19Å; L498-I555 HydrophobicContact CD2-CG2 3.53Å; L525-I555 HydrophobicContact CD2-CD1 3.43Å; L525-I555 VanDerWaalsContact CD2-CD1 3.43Å; L550-I555 CarbonylContact C-O 3.46Å; L550-I555 HydrophobicContact CB-CB 4.14Å; L550-I555 HydrophobicContact CB-CG2 4.14Å; L550-I555 HydrophobicContact CD1-CG2 4.43Å; L550-I555 HydrophobicContact CD2-CD1 4.24Å; L550-I555 HydrophobicContact CD2-CG2 4.47Å; L550-I555 WeakPolarHBondContact O-CB 3.49Å; L550-I555 PolarHBondContact O-N 3.45Å; F553-I555 HydrophobicContact CB-CD1 4.19Å; F553-I555 PolarHBondContact O-N 2.83Å; F553-I555 VanDerWaalsContact O-N 3.11Å; I555-V558 HydrophobicContact CG2-CG2 3.7Å
556	H	78.4	Confident	82.9	Confident	87 Å²	87	55 Å²	55	40%	0.403	26%	0.262	S	S	.	.			trans	-88.8	-22.7	179	-59.7	-34.4	0	0	0	114	N551 D554	N551-H556 PolarHBondContact OD1-ND1 2.95Å; D554-H556 PolarHBondContact O-N 2.92Å; D554-H556 IonicContact OD1-NE2 2.67Å
557	R	76.2	Confident	83.1	Confident	227 Å²	227	56.3 Å²	56.3	86%	0.857	27%	0.268	S	S	*	.			trans	-124	136.7	179.9	-64	-176	-178.5	-174.8	1.4	110.2
558	V	75.9	Confident	83.3	Confident	36 Å²	36	53.8 Å²	53.8	22%	0.218	26%	0.257	C	S	.	.			trans	-144.5	122.3	176.1	-170.5	0	0	0	0	105.7	Y497 L498 F504 L550 I555 K560	Y497-V558 WeakPolarHBondContact O-CG1 3.42Å; L498-V558 HydrophobicContact CD2-CG1 4.28Å; L498-V558 HydrophobicContact CD2-CG2 4.06Å; F504-V558 HydrophobicContact CE1-CG1 3.94Å; F504-V558 HydrophobicContact CZ-CG1 4.31Å; L550-V558 HydrophobicContact CD1-CG2 4.03Å; I555-V558 HydrophobicContact CG2-CG2 3.7Å; V558-K560 VanDerWaalsContact C-N 3.26Å; V558-K560 VanDerWaalsContact CG1-O 3.3Å; V558-K560 WeakPolarHBondContact CG1-O 3.25Å; V558-K560 PolarHBondContact O-N 2.93Å
559	E	68.8	Low	83.6	Confident	99 Å²	99	54.9 Å²	54.9	46%	0.463	26%	0.263	S	S	.	.	S	Bend	trans	-54.3	-43.7	-174.3	-72.4	177.8	-175.1	0	0	112.8	T499 E500	T499-E559 WeakPolarHBondContact CA-OE1 3.35Å; E500-E559 PolarHBondContact N-OE1 3.23Å; E500-E559 PolarHBondContact N-OE2 3.36Å
560	K	71.8	Confident	83.8	Confident	137 Å²	137	55 Å²	55	60%	0.596	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	114.5	177.7	-69.2	156	-170.5	150.9	0	105.6	V558	V558-K560 VanDerWaalsContact C-N 3.26Å; V558-K560 VanDerWaalsContact CG1-O 3.3Å; V558-K560 WeakPolarHBondContact CG1-O 3.25Å; V558-K560 PolarHBondContact O-N 2.93Å
561	G	71.7	Confident	84.1	Confident	19 Å²	19	54.9 Å²	54.9	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	157.6	-167.8	0	0	0	0	0	114.2	R563	G561-R563 PolarHBondContact O-N 2.76Å
562	P	82.2	Confident	84.5	Confident	13 Å²	13	57.3 Å²	57.3	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	124.8	-176.9	22.1	-34.1	0	0	0	111.3	H494 F504 A546 L550	H494-P562 HydrophobicContact CB-CB 4.07Å; F504-P562 HydrophobicContact CE2-CB 4.21Å; F504-P562 HydrophobicContact CZ-CB 4.01Å; A546-P562 HydrophobicContact CB-CB 4.33Å; A546-P562 HydrophobicContact CB-CG 4Å; L550-P562 HydrophobicContact CD1-CB 4.18Å; L550-P562 HydrophobicContact CD1-CG 3.87Å
563	R	84.8	Confident	84.9	Confident	75 Å²	75	58.1 Å²	58.1	28%	0.283	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.7	176.8	-72.3	-176	-75.3	-118.5	-3.7	109.6	H494 C495 G561 T797	H494-R563 CarbonylContact C-O 3.6Å; H494-R563 WeakPolarHBondContact CA-O 3.14Å; C495-R563 PolarHBondContact N-O 2.63Å; C495-R563 PolarHBondContact O-N 2.86Å; G561-R563 PolarHBondContact O-N 2.76Å; R563-T797 PolarHBondContact NE-OG1 3.12Å; R563-T797 PolarHBondContact NH2-OG1 2.97Å
564	G	86.6	Confident	85.4	Confident	35 Å²	35	57.4 Å²	57.4	36%	0.361	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.3	175.3	0	0	0	0	0	111.6	L493 H494	L493-G564 WeakPolarHBondContact O-CA 3.31Å; H494-G564 VanDerWaalsContact CD2-CA 3.47Å; H494-G564 WeakPolarHBondContact CD2-CA 3.36Å
565	I	90.3	Very high	85.9	Confident	18 Å²	18	55.2 Å²	55.2	9%	0.092	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120	174.3	-57	167.4	0	0	0	107.5	L493 C495 L505 N567 A570 I792 Y796	L493-I565 HydrophobicContact CB-CB 4.1Å; L493-I565 HydrophobicContact CB-CD1 4.22Å; L493-I565 PolarHBondContact O-N 3.13Å; C495-I565 HydrophobicContact CB-CD1 3.9Å; C495-I565 HydrophobicContact CB-CG1 4.43Å; L505-I565 HydrophobicContact CD1-CD1 3.67Å; I565-N567 HydrophobicContact CG2-CB 4.35Å; I565-A570 HydrophobicContact CG2-CB 3.7Å; I565-I792 HydrophobicContact CD1-CG2 4.43Å; I565-Y796 HydrophobicContact CD1-CD2 3.93Å; I565-Y796 HydrophobicContact CD1-CG 4.18Å; I565-Y796 HydrophobicContact CG1-CD2 4.45Å; I565-Y796 HydrophobicContact CG1-CG 4.19Å; I565-Y796 HydrophobicContact CG2-CD1 3.76Å; I565-Y796 HydrophobicContact CG2-CD2 4.18Å; I565-Y796 HydrophobicContact CG2-CE1 4.37Å; I565-Y796 HydrophobicContact CG2-CG 3.67Å
566	L	86	Confident	86.2	Confident	50 Å²	50	56.7 Å²	56.7	26%	0.262	27%	0.274	S	S	.	.			trans	-100.5	-8.5	-179.6	-53.8	-172.5	0	0	0	113.3	I805 Y806	L566-I805 HydrophobicContact CD1-CG2 4.44Å; L566-Y806 HydrophobicContact CB-CE1 4.14Å; L566-Y806 HydrophobicContact CD1-CD1 3.99Å; L566-Y806 HydrophobicContact CD1-CE1 4.14Å; L566-Y806 HydrophobicContact CG-CD1 4.3Å; L566-Y806 HydrophobicContact CG-CE1 4.28Å
567	N	89.6	Confident	87	Confident	33 Å²	33	52.6 Å²	52.6	18%	0.176	26%	0.255	C	S	.	.			trans	-78.1	119.8	174.4	-174.4	-16.5	0	0	0	109.3	I565 E569 A570 Y796 E799	I565-N567 HydrophobicContact CG2-CB 4.35Å; N567-E569 PolarHBondContact O-N 3Å; N567-E569 WeakPolarHBondContact OD1-CB 3.48Å; N567-E569 WeakPolarHBondContact OD1-CG 3.19Å; N567-E569 PolarHBondContact OD1-N 2.79Å; N567-A570 WeakPolarHBondContact O-CB 3.33Å; N567-A570 PolarHBondContact O-N 2.97Å; N567-Y796 HydrophobicContact CB-CD1 4.08Å; N567-Y796 HydrophobicContact CB-CE1 3.88Å; N567-E799 WeakPolarHBondContact CB-OE2 3.3Å; N567-E799 PolarHBondContact ND2-OE1 2.82Å
568	F	91.1	Very high	87.7	Confident	71 Å²	71	42 Å²	42	31%	0.311	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17	-178	58	-103.2	0	0	0	113.3	A570 Q571 H833 Y836	F568-A570 PolarHBondContact O-N 2.91Å; F568-Q571 WeakPolarHBondContact O-CB 2.93Å; F568-Q571 VanDerWaalsContact O-CG 3.26Å; F568-Q571 WeakPolarHBondContact O-CG 3.27Å; F568-Q571 PolarHBondContact O-N 2.93Å; F568-Q571 PolarHBondContact O-NE2 3.43Å; F568-H833 HydrophobicContact CB-CB 4.05Å; F568-Y836 HydrophobicContact CD2-CD1 4.14Å; F568-Y836 AromaticContact CD2-CD2 3.9Å; F568-Y836 HydrophobicContact CD2-CD2 3.9Å; F568-Y836 HydrophobicContact CD2-CE2 4.45Å; F568-Y836 AromaticContact CD2-CG 3.71Å; F568-Y836 HydrophobicContact CD2-CG 3.71Å; F568-Y836 AromaticContact CE2-CD2 3.94Å; F568-Y836 HydrophobicContact CE2-CD2 3.94Å; F568-Y836 HydrophobicContact CE2-CE2 4.4Å; F568-Y836 HydrophobicContact CE2-CG 4.21Å; F568-Y836 WeakPolarHBondContact O-CD1 3.36Å
569	E	92.8	Very high	88.2	Confident	97 Å²	97	43.2 Å²	43.2	45%	0.453	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.2	178.3	-61	-165.4	129.4	0	0	112.2	N567 Q571 K572 Y836	N567-E569 PolarHBondContact O-N 3Å; N567-E569 WeakPolarHBondContact OD1-CB 3.48Å; N567-E569 WeakPolarHBondContact OD1-CG 3.19Å; N567-E569 PolarHBondContact OD1-N 2.79Å; E569-Q571 PolarHBondContact O-N 3.45Å; E569-K572 WeakPolarHBondContact O-CB 3.12Å; E569-K572 PolarHBondContact O-N 3.48Å; E569-Y836 HydrophobicContact CG-CE2 4.35Å
570	A	94.4	Very high	89	Confident	3 Å²	3	41.8 Å²	41.8	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-57.3	-16.8	175.7	0	0	0	0	0	113.9	L493 I565 N567 F568 K572 D573 A574 Y796	L493-A570 HydrophobicContact CD1-CB 3.83Å; I565-A570 HydrophobicContact CG2-CB 3.7Å; N567-A570 WeakPolarHBondContact O-CB 3.33Å; N567-A570 PolarHBondContact O-N 2.97Å; F568-A570 PolarHBondContact O-N 2.91Å; A570-K572 PolarHBondContact O-N 3.41Å; A570-D573 PolarHBondContact O-N 2.86Å; A570-A574 PolarHBondContact O-N 2.97Å; A570-Y796 WeakPolarHBondContact CA-OH 3.22Å; A570-Y796 HydrophobicContact CB-CD2 4.23Å; A570-Y796 HydrophobicContact CB-CE1 4.07Å; A570-Y796 HydrophobicContact CB-CE2 3.61Å
571	Q	96.2	Very high	89.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-29.9	170.1	-64	-179.8	84.2	0	0	112.4	Y482 L487 H491 L493 F568 E569 L575 H833 Y836 L840	Y482-Q571 VanDerWaalsContact CE1-O 3.32Å; Y482-Q571 WeakPolarHBondContact CE1-O 3.42Å; Y482-Q571 VanDerWaalsContact OH-CA 3.24Å; Y482-Q571 WeakPolarHBondContact OH-CA 3.48Å; Y482-Q571 WeakPolarHBondContact OH-CB 3.42Å; Y482-Q571 WeakPolarHBondContact OH-CG 3.42Å; L487-Q571 HydrophobicContact CD2-CB 4.28Å; H491-Q571 PolarHBondContact CE1-OE1 2.94Å; H491-Q571 VanDerWaalsContact CE1-OE1 3.24Å; L493-Q571 HydrophobicContact CD1-CG 4.48Å; F568-Q571 WeakPolarHBondContact O-CB 2.93Å; F568-Q571 VanDerWaalsContact O-CG 3.26Å; F568-Q571 WeakPolarHBondContact O-CG 3.27Å; F568-Q571 PolarHBondContact O-N 2.93Å; F568-Q571 PolarHBondContact O-NE2 3.43Å; E569-Q571 PolarHBondContact O-N 3.45Å; Q571-L575 WeakPolarHBondContact O-CB 3.39Å; Q571-L575 PolarHBondContact O-N 3.32Å; Q571-H833 PolarHBondContact NE2-O 2.84Å; Q571-H833 PolarHBondContact OE1-NE2 3.16Å; Q571-Y836 HydrophobicContact CB-CD1 4.27Å; Q571-Y836 HydrophobicContact CB-CE1 4.34Å; Q571-L840 HydrophobicContact CB-CD1 3.77Å
572	K	95.7	Very high	89.4	Confident	79 Å²	79	38.4 Å²	38.4	34%	0.343	20%	0.203	S	C	.	.	H	α-helix	trans	-70.9	-42	177.4	-174.8	176.6	167.4	-168.8	0	111.6	Y182 E569 A570 L575 T576 Y836 L840	Y182-K572 VanDerWaalsContact OH-CE 3.23Å; Y182-K572 WeakPolarHBondContact OH-CE 3.45Å; Y182-K572 PolarHBondContact OH-NZ 2.93Å; E569-K572 WeakPolarHBondContact O-CB 3.12Å; E569-K572 PolarHBondContact O-N 3.48Å; A570-K572 PolarHBondContact O-N 3.41Å; K572-L575 PolarHBondContact O-N 3.41Å; K572-T576 PolarHBondContact O-N 3.29Å; K572-T576 PolarHBondContact O-OG1 3.03Å; K572-Y836 HydrophobicContact CB-CE1 4.4Å; K572-L840 HydrophobicContact CB-CD1 4.2Å; K572-L840 HydrophobicContact CB-CD2 4.29Å; K572-L840 HydrophobicContact CG-CD2 4.3Å
573	D	95.8	Very high	88.8	Confident	56 Å²	56	40.1 Å²	40.1	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-68.5	-37.6	176.4	-62.5	-30.7	0	0	0	111.9	A570 T576 L577 I792 Y796	A570-D573 PolarHBondContact O-N 2.86Å; D573-T576 PolarHBondContact O-N 3.29Å; D573-L577 PolarHBondContact O-N 2.94Å; D573-I792 HydrophobicContact CB-CD1 3.77Å; D573-I792 HydrophobicContact CB-CG1 3.72Å; D573-Y796 WeakPolarHBondContact OD2-CE2 3.47Å; D573-Y796 PolarHBondContact OD2-OH 2.95Å
574	A	96	Very high	88.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-39.6	173.5	0	0	0	0	0	112.2	Y482 L493 L505 W526 A570 L577 E578	Y482-A574 HydrophobicContact CD1-CB 4.14Å; Y482-A574 HydrophobicContact CD2-CB 4.5Å; Y482-A574 HydrophobicContact CE1-CB 3.61Å; Y482-A574 HydrophobicContact CE2-CB 4.02Å; L493-A574 HydrophobicContact CD2-CB 4.42Å; L505-A574 HydrophobicContact CD2-CB 3.95Å; W526-A574 HydrophobicContact CH2-CB 4.38Å; A570-A574 PolarHBondContact O-N 2.97Å; A574-L577 PolarHBondContact O-N 2.79Å; A574-E578 PolarHBondContact O-N 2.9Å
575	L	93.9	Very high	88.2	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-44.8	171.8	178.2	63.3	0	0	0	111.5	Y482 F483 L487 Q571 K572 L577 E578 E579	Y482-L575 HydrophobicContact CD1-CB 4.2Å; Y482-L575 HydrophobicContact CE1-CB 4.28Å; F483-L575 HydrophobicContact CB-CD1 4.4Å; L487-L575 HydrophobicContact CD1-CD1 4.16Å; L487-L575 HydrophobicContact CD1-CD2 4.16Å; Q571-L575 WeakPolarHBondContact O-CB 3.39Å; Q571-L575 PolarHBondContact O-N 3.32Å; K572-L575 PolarHBondContact O-N 3.41Å; L575-L577 VanDerWaalsContact C-N 3.29Å; L575-L577 PolarHBondContact O-N 3.01Å; L575-E578 WeakPolarHBondContact O-CB 3.45Å; L575-E578 PolarHBondContact O-N 3.07Å; L575-E578 VanDerWaalsContact O-N 3.09Å; L575-E579 WeakPolarHBondContact O-CG 3.36Å; L575-E579 PolarHBondContact O-N 3.31Å
576	T	93	Very high	88.2	Confident	48 Å²	48	36.6 Å²	36.6	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-65.9	-27.4	177.1	-69.7	0	0	0	0	113.5	K572 D573 E579 Q580	K572-T576 PolarHBondContact O-N 3.29Å; K572-T576 PolarHBondContact O-OG1 3.03Å; D573-T576 PolarHBondContact O-N 3.29Å; T576-E579 WeakPolarHBondContact CA-OE2 3.49Å; T576-E579 PolarHBondContact OG1-OE2 3.15Å; T576-Q580 WeakPolarHBondContact O-CG 3.28Å; T576-Q580 PolarHBondContact O-N 3.35Å
577	L	93.8	Very high	88.7	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-44.3	167.8	-76.6	172.5	0	0	0	112.3	L505 W526 D573 A574 L575 E579 Q580 I785 L788 L789 I792	L505-L577 HydrophobicContact CB-CD1 4.29Å; L505-L577 HydrophobicContact CD2-CD1 3.62Å; W526-L577 HydrophobicContact CB-CD1 4.19Å; W526-L577 HydrophobicContact CD2-CB 4.38Å; W526-L577 HydrophobicContact CD2-CD1 4.2Å; W526-L577 HydrophobicContact CG-CB 4.25Å; W526-L577 HydrophobicContact CG-CD1 4.04Å; D573-L577 PolarHBondContact O-N 2.94Å; A574-L577 PolarHBondContact O-N 2.79Å; L575-L577 VanDerWaalsContact C-N 3.29Å; L575-L577 PolarHBondContact O-N 3.01Å; L577-E579 VanDerWaalsContact C-N 3.31Å; L577-E579 PolarHBondContact O-N 3.38Å; L577-Q580 PolarHBondContact O-N 3.14Å; L577-Q580 VanDerWaalsContact O-N 3.11Å; L577-I785 HydrophobicContact CD2-CG2 4.3Å; L577-L788 HydrophobicContact CD2-CB 3.76Å; L577-L788 HydrophobicContact CD2-CD1 4.17Å; L577-L789 HydrophobicContact CD1-CD2 3.72Å; L577-L789 HydrophobicContact CD2-CD2 4.26Å; L577-L789 HydrophobicContact CD2-CG 4.17Å; L577-I792 HydrophobicContact CD1-CD1 3.53Å; L577-I792 HydrophobicContact CD2-CD1 4.42Å; L577-I792 HydrophobicContact CG-CD1 3.93Å
578	E	91	Very high	89.1	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-39	174.6	-178.7	165.4	-96	0	0	111.5	R480 W481 Y482 F483 W526 A574 L575 Q580 E581	R480-E578 WeakPolarHBondContact CA-OE1 3.4Å; R480-E578 HydrophobicContact CB-CG 4.46Å; R480-E578 HydrophobicContact CG-CG 4.32Å; W481-E578 PolarHBondContact N-OE1 2.98Å; Y482-E578 WeakPolarHBondContact CB-OE1 3.39Å; Y482-E578 PolarHBondContact N-OE1 2.85Å; F483-E578 WeakPolarHBondContact CB-OE2 3.09Å; F483-E578 PolarHBondContact N-OE2 2.83Å; W526-E578 HydrophobicContact CZ2-CB 4.44Å; A574-E578 PolarHBondContact O-N 2.9Å; L575-E578 WeakPolarHBondContact O-CB 3.45Å; L575-E578 PolarHBondContact O-N 3.07Å; L575-E578 VanDerWaalsContact O-N 3.09Å; E578-Q580 PolarHBondContact O-N 2.81Å; E578-E581 WeakPolarHBondContact O-CB 3.39Å; E578-E581 PolarHBondContact O-N 3.49Å
579	E	86.1	Confident	89.4	Confident	63 Å²	63	31.9 Å²	31.9	29%	0.294	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.9	174.2	-68.3	164.8	171.7	0	0	113.8	L575 T576 L577	L575-E579 WeakPolarHBondContact O-CG 3.36Å; L575-E579 PolarHBondContact O-N 3.31Å; T576-E579 WeakPolarHBondContact CA-OE2 3.49Å; T576-E579 PolarHBondContact OG1-OE2 3.15Å; L577-E579 VanDerWaalsContact C-N 3.31Å; L577-E579 PolarHBondContact O-N 3.38Å
580	Q	86.7	Confident	89.7	Confident	69 Å²	69	27.3 Å²	27.3	32%	0.322	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.4	173.3	-60.9	-44.8	-82.8	0	0	113.9	T576 L577 E578 R781 T784 I785 L788	T576-Q580 WeakPolarHBondContact O-CG 3.28Å; T576-Q580 PolarHBondContact O-N 3.35Å; L577-Q580 PolarHBondContact O-N 3.14Å; L577-Q580 VanDerWaalsContact O-N 3.11Å; E578-Q580 PolarHBondContact O-N 2.81Å; Q580-R781 PolarHBondContact O-NE 3.1Å; Q580-T784 HydrophobicContact CG-CG2 4.45Å; Q580-I785 HydrophobicContact CB-CG1 4.16Å; Q580-L788 HydrophobicContact CG-CD1 3.66Å
581	E	79	Confident	89.8	Confident	46 Å²	46	27.2 Å²	27.2	22%	0.215	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-34	-175.6	-63.7	-175.1	-170.7	0	0	112.6	W526 S531 K533 E578 R781	W526-E581 PolarHBondContact NE1-OE1 3.04Å; S531-E581 WeakPolarHBondContact CB-OE1 3.37Å; S531-E581 PolarHBondContact OG-OE1 3.32Å; S531-E581 PolarHBondContact OG-OE2 3.38Å; S531-E581 VanDerWaalsContact OG-OE2 3.1Å; K533-E581 IonicContact NZ-OE1 3.54Å; K533-E581 IonicContact NZ-OE2 3.17Å; K533-E581 PolarHBondContact NZ-OE2 3.11Å; E578-E581 WeakPolarHBondContact O-CB 3.39Å; E578-E581 PolarHBondContact O-N 3.49Å; E581-R781 PolarHBondContact O-NE 2.88Å; E581-R781 PolarHBondContact O-NH2 3.05Å; E581-R781 VanDerWaalsContact O-NH2 3.07Å
582	G	71.6	Confident	89.9	Confident	38 Å²	38	28 Å²	28	39%	0.392	15%	0.152	S	C	.	.			trans	-174	156.3	177.6	0	0	0	0	0	113.2
583	S	69.7	Low	89.9	Confident	50 Å²	50	24.4 Å²	24.4	35%	0.35	14%	0.136	S	C	.	.			trans	-68.9	138.3	175.1	-51.8	0	0	0	0	111.5	N585	S583-N585 WeakPolarHBondContact CB-O 3.44Å
584	V	73	Confident	89.9	Confident	26 Å²	26	24.3 Å²	24.3	16%	0.158	14%	0.138	C	C	.	.	S	Bend	trans	-74.1	-39	167.3	-177.5	0	0	0	0	110.8	E476 R480 F586 H655	E476-V584 WeakPolarHBondContact OE1-CA 3.3Å; E476-V584 WeakPolarHBondContact OE1-CG1 3.5Å; E476-V584 WeakPolarHBondContact OE2-CG2 3.26Å; R480-V584 VanDerWaalsContact NH1-CG2 3.27Å; V584-F586 WeakPolarHBondContact O-CE2 3.45Å; V584-H655 PolarHBondContact O-ND1 3.31Å
585	N	85.6	Confident	89.8	Confident	26 Å²	26	27 Å²	27	14%	0.139	15%	0.15	C	C	.	.	S	Bend	trans	-121.5	142.6	-168.6	-68	-19.7	0	0	0	110.8	S583 F632 E656	S583-N585 WeakPolarHBondContact CB-O 3.44Å; N585-F632 HydrophobicContact CB-CB 4.36Å; N585-F632 HydrophobicContact CB-CD1 3.96Å; N585-F632 HydrophobicContact CB-CD2 3.64Å; N585-F632 HydrophobicContact CB-CE1 4.12Å; N585-F632 HydrophobicContact CB-CE2 3.81Å; N585-F632 HydrophobicContact CB-CG 3.71Å; N585-F632 HydrophobicContact CB-CZ 4.04Å; N585-E656 CarbonylContact C-O 3.58Å; N585-E656 VanDerWaalsContact CA-O 3.27Å; N585-E656 WeakPolarHBondContact CA-O 3.47Å; N585-E656 HydrophobicContact CB-CB 4.21Å; N585-E656 PolarHBondContact ND2-OE2 2.84Å; N585-E656 VanDerWaalsContact OD1-CB 3.26Å; N585-E656 WeakPolarHBondContact OD1-CB 3.01Å; N585-E656 WeakPolarHBondContact OD1-CG 3.3Å; N585-E656 PolarHBondContact OD1-N 2.87Å
586	F	92	Very high	89.6	Confident	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.7	-166.5	-66	-95.9	0	0	0	111.6	V584 F588 F632 H655 E656 I657 M658 I765 E768 K769	V584-F586 WeakPolarHBondContact O-CE2 3.45Å; F586-F588 HydrophobicContact CB-CE1 4.05Å; F586-F588 HydrophobicContact CB-CE2 4.09Å; F586-F588 HydrophobicContact CB-CZ 3.63Å; F586-F588 HydrophobicContact CD1-CE1 4.25Å; F586-F588 HydrophobicContact CD1-CZ 4.02Å; F586-F588 HydrophobicContact CG-CZ 4.09Å; F586-F632 VanDerWaalsContact O-CE1 3.29Å; F586-F632 WeakPolarHBondContact O-CE1 2.97Å; F586-H655 HydrophobicContact CD2-CB 3.93Å; F586-H655 HydrophobicContact CE2-CB 4.01Å; F586-H655 AromaticContact CE2-CG 3.73Å; F586-H655 AromaticContact CE2-ND1 3.7Å; F586-E656 PolarHBondContact N-O 3.15Å; F586-I657 WeakPolarHBondContact O-CA 3.47Å; F586-M658 PolarHBondContact O-N 3.02Å; F586-I765 HydrophobicContact CD1-CG1 4.44Å; F586-I765 HydrophobicContact CD1-CG2 4.49Å; F586-I765 HydrophobicContact CD2-CG1 4.29Å; F586-I765 HydrophobicContact CE1-CG2 3.97Å; F586-I765 HydrophobicContact CE2-CG2 4.01Å; F586-I765 HydrophobicContact CG-CG1 4.25Å; F586-I765 HydrophobicContact CZ-CG2 3.73Å; F586-E768 HydrophobicContact CD1-CB 3.99Å; F586-E768 HydrophobicContact CD1-CG 4.25Å; F586-E768 HydrophobicContact CE1-CB 4.04Å; F586-E768 HydrophobicContact CE1-CG 4.32Å; F586-K769 HydrophobicContact CE1-CG 4.28Å; F586-K769 HydrophobicContact CZ-CG 4.24Å
587	K	95.4	Very high	89.6	Confident	56 Å²	56	28.4 Å²	28.4	24%	0.243	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	119.9	178.3	61.2	-174.8	-169.1	77.3	0	109.9	G634 M658 N683 D684	K587-G634 VanDerWaalsContact CD-O 3.25Å; K587-G634 WeakPolarHBondContact CD-O 3.39Å; K587-M658 WeakPolarHBondContact CA-O 3.35Å; K587-N683 PolarHBondContact NZ-O 2.98Å; K587-D684 WeakPolarHBondContact CG-OD1 3.46Å; K587-D684 IonicContact NZ-OD1 2.63Å; K587-D684 PolarHBondContact NZ-OD1 3.43Å
588	F	98	Very high	89.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.9	-175.8	-54.7	-44.6	0	0	0	109.3	F586 I657 M658 F659 H660 V686 L764 I765 E768	F586-F588 HydrophobicContact CB-CE1 4.05Å; F586-F588 HydrophobicContact CB-CE2 4.09Å; F586-F588 HydrophobicContact CB-CZ 3.63Å; F586-F588 HydrophobicContact CD1-CE1 4.25Å; F586-F588 HydrophobicContact CD1-CZ 4.02Å; F586-F588 HydrophobicContact CG-CZ 4.09Å; F588-I657 HydrophobicContact CD2-CG2 3.58Å; F588-I657 HydrophobicContact CE2-CD1 4.43Å; F588-I657 HydrophobicContact CE2-CG2 3.68Å; F588-M658 PolarHBondContact N-O 3Å; F588-M658 VanDerWaalsContact N-O 3.16Å; F588-F659 HydrophobicContact CB-CD1 4.04Å; F588-F659 HydrophobicContact CB-CE1 4.09Å; F588-F659 AromaticContact CD2-CE1 3.85Å; F588-F659 HydrophobicContact CD2-CE1 3.85Å; F588-F659 HydrophobicContact CD2-CZ 4.36Å; F588-F659 HydrophobicContact CG-CE1 4.48Å; F588-F659 CarbonylContact O-C 3.56Å; F588-F659 WeakPolarHBondContact O-CA 3.28Å; F588-H660 PolarHBondContact O-N 3.48Å; F588-V686 WeakPolarHBondContact CA-O 3.26Å; F588-V686 HydrophobicContact CD1-CB 3.9Å; F588-V686 HydrophobicContact CD1-CG2 4.49Å; F588-V686 HydrophobicContact CE1-CB 4.18Å; F588-V686 HydrophobicContact CE1-CG2 4.32Å; F588-L764 HydrophobicContact CD2-CB 4.13Å; F588-L764 HydrophobicContact CD2-CD1 3.96Å; F588-L764 HydrophobicContact CE1-CB 4.14Å; F588-L764 HydrophobicContact CE2-CB 3.64Å; F588-L764 HydrophobicContact CE2-CD1 4.18Å; F588-L764 HydrophobicContact CG-CD1 4.49Å; F588-L764 HydrophobicContact CZ-CB 3.65Å; F588-I765 HydrophobicContact CE2-CG1 4.38Å; F588-I765 HydrophobicContact CZ-CG1 4.1Å; F588-E768 HydrophobicContact CE1-CB 4.38Å
589	G	98	Very high	89.4	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	147.5	170.6	0	0	0	0	0	110.5	D684 V686 N687 I688	G589-D684 PolarHBondContact N-OD2 2.88Å; G589-V686 PolarHBondContact N-O 3.48Å; G589-N687 WeakPolarHBondContact CA-OD1 3.48Å; G589-N687 PolarHBondContact N-OD1 2.77Å; G589-I688 PolarHBondContact O-N 3.22Å
590	V	98.3	Very high	89.6	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.1	173.9	-171.6	0	0	0	0	107.7	F613 F616 L620 F659 H660 I661 S662 I688	V590-F613 HydrophobicContact CG1-CE2 3.9Å; V590-F613 HydrophobicContact CG1-CZ 4.09Å; V590-F616 HydrophobicContact CG1-CE1 4.23Å; V590-L620 HydrophobicContact CG2-CD1 4.13Å; V590-F659 HydrophobicContact CG2-CB 4.08Å; V590-F659 HydrophobicContact CG2-CD1 3.68Å; V590-F659 HydrophobicContact CG2-CG 4.28Å; V590-H660 PolarHBondContact N-O 3.15Å; V590-I661 HydrophobicContact CB-CG1 3.95Å; V590-I661 HydrophobicContact CG2-CG1 4.07Å; V590-S662 WeakPolarHBondContact O-CB 3.34Å; V590-S662 PolarHBondContact O-N 2.82Å; V590-I688 WeakPolarHBondContact CA-O 3.16Å; V590-I688 HydrophobicContact CG1-CB 4.35Å; V590-I688 HydrophobicContact CG2-CB 4.37Å; V590-I688 HydrophobicContact CG2-CD1 4.14Å; V590-I688 HydrophobicContact CG2-CG1 4.5Å
591	L	97.4	Very high	89.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.7	-177.8	-173.7	59.7	0	0	0	109.9	M603 Y604 I688 I689 F690 M707	L591-M603 HydrophobicContact CD1-CB 3.99Å; L591-M603 HydrophobicContact CD2-CB 3.78Å; L591-M603 HydrophobicContact CD2-CG 4.44Å; L591-M603 HydrophobicContact CD2-SD 3.82Å; L591-M603 HydrophobicContact CG-CB 3.93Å; L591-M603 HydrophobicContact CG-SD 4.44Å; L591-Y604 HydrophobicContact CD1-CD1 3.78Å; L591-Y604 HydrophobicContact CD1-CE1 4.01Å; L591-Y604 HydrophobicContact CD1-CG 4.35Å; L591-I688 PolarHBondContact N-O 3.49Å; L591-I689 HydrophobicContact CB-CD1 3.99Å; L591-I689 HydrophobicContact CD2-CD1 4.19Å; L591-F690 PolarHBondContact O-N 3.03Å; L591-M707 HydrophobicContact CD2-CE 3.79Å; L591-M707 HydrophobicContact CD2-CG 4.47Å; L591-M707 HydrophobicContact CD2-SD 3.48Å; L591-M707 WeakPolarHBondContact CD2-SD 3.23Å
592	Y	97.6	Very high	90.6	Very high	18 Å²	18	34.2 Å²	34.2	7%	0.071	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127	169.2	-178.9	-108.9	0	0	0	110.3	V594 N606 S610 F613 S662 F690 D692	Y592-V594 HydrophobicContact CD1-CG2 4.4Å; Y592-V594 HydrophobicContact CE1-CG2 3.56Å; Y592-N606 HydrophobicContact CD1-CB 3.83Å; Y592-N606 PolarHBondContact O-ND2 3.35Å; Y592-S610 PolarHBondContact OH-N 2.85Å; Y592-F613 HydrophobicContact CD2-CB 3.69Å; Y592-F613 AromaticContact CD2-CD1 3.88Å; Y592-F613 HydrophobicContact CD2-CD1 3.88Å; Y592-F613 AromaticContact CD2-CD2 3.64Å; Y592-F613 HydrophobicContact CD2-CD2 3.64Å; Y592-F613 HydrophobicContact CD2-CE1 4.34Å; Y592-F613 HydrophobicContact CD2-CE2 4.16Å; Y592-F613 AromaticContact CD2-CG 3.46Å; Y592-F613 HydrophobicContact CD2-CG 3.46Å; Y592-F613 VanDerWaalsContact CD2-CG 3.46Å; Y592-F613 HydrophobicContact CD2-CZ 4.48Å; Y592-F613 HydrophobicContact CE2-CB 3.76Å; Y592-F613 HydrophobicContact CE2-CG 4.07Å; Y592-F613 HydrophobicContact CG-CD1 4.22Å; Y592-F613 HydrophobicContact CG-CD2 4.4Å; Y592-F613 HydrophobicContact CG-CE1 4.31Å; Y592-F613 HydrophobicContact CG-CG 4.22Å; Y592-F613 HydrophobicContact CG-CZ 4.48Å; Y592-S662 PolarHBondContact N-OG 3.11Å; Y592-F690 HydrophobicContact CD2-CD1 4.05Å; Y592-F690 HydrophobicContact CE2-CD1 4.24Å; Y592-D692 HydrophobicContact CE2-CB 3.65Å; Y592-D692 PolarHBondContact OH-OD2 2.86Å
593	C	96.6	Very high	91.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.7	176.1	-176	0	0	0	0	109	M603 I689 F690 V691 D692	C593-M603 HydrophobicContact CB-CG 3.98Å; C593-M603 HydrophobicContact CB-SD 3.92Å; C593-I689 HydrophobicContact CB-CG2 4.07Å; C593-F690 PolarHBondContact N-O 3.05Å; C593-V691 HydrophobicContact CB-CG2 4.16Å; C593-V691 WeakPolarHBondContact O-CA 3.38Å; C593-D692 PolarHBondContact O-N 2.97Å
594	V	95.7	Very high	92.9	Very high	55 Å²	55	30.1 Å²	30.1	33%	0.333	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.5	169.3	-176.5	0	0	0	0	108.3	Y592 G596 Q597	Y592-V594 HydrophobicContact CD1-CG2 4.4Å; Y592-V594 HydrophobicContact CE1-CG2 3.56Å; V594-G596 PolarHBondContact O-N 2.87Å; V594-Q597 HydrophobicContact CB-CG 4.15Å; V594-Q597 VanDerWaalsContact O-CB 3.31Å; V594-Q597 WeakPolarHBondContact O-CB 3.42Å; V594-Q597 WeakPolarHBondContact O-CG 3.48Å; V594-Q597 PolarHBondContact O-N 2.85Å
595	E	93.3	Very high	94	Very high	55 Å²	55	30.8 Å²	30.8	26%	0.257	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	127.7	177.6	-170.6	58.9	-122.8	0	0	111	V691 D692 C694 S701	E595-V691 WeakPolarHBondContact OE2-CG1 3.08Å; E595-D692 WeakPolarHBondContact CB-O 3.48Å; E595-D692 PolarHBondContact N-O 3.27Å; E595-C694 WeakPolarHBondContact OE2-CB 3.42Å; E595-S701 WeakPolarHBondContact OE1-CB 3.41Å; E595-S701 PolarHBondContact OE1-N 3.23Å; E595-S701 PolarHBondContact OE1-OG 2.86Å
596	G	89.5	Confident	94.5	Very high	53 Å²	53	30.6 Å²	30.6	55%	0.546	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-2.7	-173.5	0	0	0	0	0	116.4	V594 S701	V594-G596 PolarHBondContact O-N 2.87Å; G596-S701 PolarHBondContact N-OG 2.85Å
597	Q	93.6	Very high	94.6	Very high	32 Å²	32	35.8 Å²	35.8	15%	0.15	20%	0.196	C	C	.	.			trans	-71.6	133	162.7	-68.9	-176.7	-30.9	0	0	109.7	V594 E602 M603 N606	V594-Q597 HydrophobicContact CB-CG 4.15Å; V594-Q597 VanDerWaalsContact O-CB 3.31Å; V594-Q597 WeakPolarHBondContact O-CB 3.42Å; V594-Q597 WeakPolarHBondContact O-CG 3.48Å; V594-Q597 PolarHBondContact O-N 2.85Å; Q597-E602 HydrophobicContact CB-CB 4.16Å; Q597-E602 HydrophobicContact CG-CB 4.1Å; Q597-M603 HydrophobicContact CB-CG 4.34Å; Q597-N606 PolarHBondContact NE2-OD1 2.91Å; Q597-N606 PolarHBondContact OE1-ND2 2.87Å
598	T	89.5	Confident	94.5	Very high	86 Å²	86	41.3 Å²	41.3	53%	0.528	22%	0.22	S	C	.	.			trans	-123.9	0.9	-170.9	57.5	0	0	0	0	114.2	E602 M706	T598-E602 PolarHBondContact N-OE2 3.18Å; T598-M706 HydrophobicContact CG2-CE 4.2Å; T598-M706 WeakPolarHBondContact O-CG 3.28Å
599	S	90.5	Very high	94.3	Very high	36 Å²	36	42.3 Å²	42.3	25%	0.252	23%	0.231	S	C	.	.	S	Bend	trans	-132.5	145.8	178.8	66.9	0	0	0	0	113	Q601 E602 M603	S599-Q601 PolarHBondContact O-N 2.81Å; S599-E602 WeakPolarHBondContact CB-OE2 3.34Å; S599-E602 PolarHBondContact N-OE2 3.06Å; S599-E602 PolarHBondContact O-N 2.95Å; S599-E602 VanDerWaalsContact OG-CG 3.28Å; S599-E602 WeakPolarHBondContact OG-CG 3.47Å; S599-E602 PolarHBondContact OG-N 2.92Å; S599-E602 PolarHBondContact OG-OE2 3.46Å; S599-M603 WeakPolarHBondContact O-CE 3.44Å; S599-M603 PolarHBondContact O-N 2.82Å
600	D	90.8	Very high	94.2	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.112	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-33.7	170.1	65.5	-9	0	0	0	112.7	Y604 K678 M706 M707	D600-Y604 HydrophobicContact CB-CD2 4.13Å; D600-Y604 HydrophobicContact CB-CE2 4.08Å; D600-Y604 WeakPolarHBondContact O-CB 3.36Å; D600-Y604 WeakPolarHBondContact O-CD2 3.31Å; D600-Y604 PolarHBondContact O-N 2.97Å; D600-K678 IonicContact OD2-NZ 3.24Å; D600-K678 PolarHBondContact OD2-NZ 2.95Å; D600-M706 WeakPolarHBondContact CB-O 3.4Å; D600-M706 PolarHBondContact N-O 3.15Å; D600-M707 HydrophobicContact CB-CG 4.45Å
601	Q	92	Very high	94.1	Very high	84 Å²	84	49 Å²	49	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-59	-48	174.3	-157.6	-170	-100.2	0	0	111.7	S599 N605 R672	S599-Q601 PolarHBondContact O-N 2.81Å; Q601-N605 PolarHBondContact O-N 2.99Å; Q601-N605 PolarHBondContact O-ND2 3.4Å; Q601-R672 WeakPolarHBondContact CG-O 3.39Å
602	E	94.2	Very high	93.9	Very high	79 Å²	79	50.8 Å²	50.8	37%	0.369	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-52	178.5	-71.2	153.4	152.9	0	0	111.1	Q597 T598 S599 Y604 N605 N606	Q597-E602 HydrophobicContact CB-CB 4.16Å; Q597-E602 HydrophobicContact CG-CB 4.1Å; T598-E602 PolarHBondContact N-OE2 3.18Å; S599-E602 WeakPolarHBondContact CB-OE2 3.34Å; S599-E602 PolarHBondContact N-OE2 3.06Å; S599-E602 PolarHBondContact O-N 2.95Å; S599-E602 VanDerWaalsContact OG-CG 3.28Å; S599-E602 WeakPolarHBondContact OG-CG 3.47Å; S599-E602 PolarHBondContact OG-N 2.92Å; S599-E602 PolarHBondContact OG-OE2 3.46Å; E602-Y604 PolarHBondContact O-N 3.35Å; E602-N605 PolarHBondContact O-N 3.19Å; E602-N606 PolarHBondContact O-N 2.87Å
603	M	95.2	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-44.3	-179.3	-65.7	-180	-107.1	0	0	112.7	L591 C593 Q597 S599 N605 N606 W702 M706 M707	L591-M603 HydrophobicContact CD1-CB 3.99Å; L591-M603 HydrophobicContact CD2-CB 3.78Å; L591-M603 HydrophobicContact CD2-CG 4.44Å; L591-M603 HydrophobicContact CD2-SD 3.82Å; L591-M603 HydrophobicContact CG-CB 3.93Å; L591-M603 HydrophobicContact CG-SD 4.44Å; C593-M603 HydrophobicContact CB-CG 3.98Å; C593-M603 HydrophobicContact CB-SD 3.92Å; Q597-M603 HydrophobicContact CB-CG 4.34Å; S599-M603 WeakPolarHBondContact O-CE 3.44Å; S599-M603 PolarHBondContact O-N 2.82Å; M603-N605 VanDerWaalsContact C-N 3.3Å; M603-N605 PolarHBondContact O-N 3.37Å; M603-N606 WeakPolarHBondContact O-CB 3.4Å; M603-N606 PolarHBondContact O-N 2.85Å; M603-N606 PolarHBondContact O-ND2 2.81Å; M603-W702 PolarHBondContact SD-NE1 2.83Å; M603-W702 VanDerWaalsContact SD-NE1 3.36Å; M603-M706 HydrophobicContact CE-CB 3.73Å; M603-M707 HydrophobicContact CE-CG 4.26Å
604	Y	95.8	Very high	93.9	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-69.7	-23.5	178.6	-78	-59.7	0	0	0	113.8	L591 D600 E602 N606 R677 K678 I681 M707	L591-Y604 HydrophobicContact CD1-CD1 3.78Å; L591-Y604 HydrophobicContact CD1-CE1 4.01Å; L591-Y604 HydrophobicContact CD1-CG 4.35Å; D600-Y604 HydrophobicContact CB-CD2 4.13Å; D600-Y604 HydrophobicContact CB-CE2 4.08Å; D600-Y604 WeakPolarHBondContact O-CB 3.36Å; D600-Y604 WeakPolarHBondContact O-CD2 3.31Å; D600-Y604 PolarHBondContact O-N 2.97Å; E602-Y604 PolarHBondContact O-N 3.35Å; Y604-N606 VanDerWaalsContact C-N 3.32Å; Y604-R677 HydrophobicContact CD1-CB 3.89Å; Y604-R677 HydrophobicContact CE1-CB 4.38Å; Y604-R677 VanDerWaalsContact O-CD 3.27Å; Y604-R677 WeakPolarHBondContact O-CD 3.29Å; Y604-R677 PolarHBondContact O-NH1 2.91Å; Y604-K678 HydrophobicContact CD2-CB 4.19Å; Y604-K678 HydrophobicContact CD2-CD 4.28Å; Y604-K678 HydrophobicContact CD2-CG 4.45Å; Y604-K678 HydrophobicContact CE1-CB 4.24Å; Y604-K678 HydrophobicContact CE2-CB 3.78Å; Y604-K678 HydrophobicContact CE2-CD 3.72Å; Y604-K678 HydrophobicContact CE2-CG 3.7Å; Y604-I681 HydrophobicContact CE1-CB 3.97Å; Y604-I681 HydrophobicContact CE1-CD1 3.92Å; Y604-I681 HydrophobicContact CE1-CG2 4.07Å; Y604-I681 WeakPolarHBondContact OH-CG2 3.48Å; Y604-M707 HydrophobicContact CE2-CE 3.97Å; Y604-M707 WeakPolarHBondContact OH-CE 3.41Å
605	N	95.8	Very high	93.9	Very high	39 Å²	39	55.3 Å²	55.3	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-82.5	-4.6	177.2	-80.1	-85.9	0	0	0	113.6	Q601 E602 M603 E607 Y667 R672 Q674	Q601-N605 PolarHBondContact O-N 2.99Å; Q601-N605 PolarHBondContact O-ND2 3.4Å; E602-N605 PolarHBondContact O-N 3.19Å; M603-N605 VanDerWaalsContact C-N 3.3Å; M603-N605 PolarHBondContact O-N 3.37Å; N605-E607 PolarHBondContact O-N 3.32Å; N605-Y667 HydrophobicContact CB-CE2 4.33Å; N605-R672 PolarHBondContact ND2-O 2.76Å; N605-Q674 PolarHBondContact OD1-NE2 2.81Å
606	N	95.8	Very high	94.1	Very high	23 Å²	23	52.7 Å²	52.7	12%	0.123	27%	0.274	C	S	.	.			trans	-61.1	107.7	173.7	-68.3	-29.9	0	0	0	110.6	Y592 Q597 E602 M603 Y604 R677	Y592-N606 HydrophobicContact CD1-CB 3.83Å; Y592-N606 PolarHBondContact O-ND2 3.35Å; Q597-N606 PolarHBondContact NE2-OD1 2.91Å; Q597-N606 PolarHBondContact OE1-ND2 2.87Å; E602-N606 PolarHBondContact O-N 2.87Å; M603-N606 WeakPolarHBondContact O-CB 3.4Å; M603-N606 PolarHBondContact O-N 2.85Å; M603-N606 PolarHBondContact O-ND2 2.81Å; Y604-N606 VanDerWaalsContact C-N 3.32Å; N606-R677 PolarHBondContact O-NH1 3.36Å
607	E	94.1	Very high	94.5	Very high	110 Å²	110	50.1 Å²	50.1	51%	0.514	25%	0.248	S	C	.	.			trans	-70.6	-36.2	-177.4	-70.1	-173.8	-144.2	0	0	112.6	N605 Y667	N605-E607 PolarHBondContact O-N 3.32Å; E607-Y667 HydrophobicContact CG-CD1 3.71Å; E607-Y667 HydrophobicContact CG-CD2 3.98Å; E607-Y667 HydrophobicContact CG-CE1 3.57Å; E607-Y667 HydrophobicContact CG-CE2 3.86Å; E607-Y667 HydrophobicContact CG-CG 3.89Å; E607-Y667 WeakPolarHBondContact OE1-CE1 3.44Å; E607-Y667 VanDerWaalsContact OE1-CZ 3.28Å; E607-Y667 PolarHBondContact OE1-OH 2.86Å
608	K	93.4	Very high	94.6	Very high	171 Å²	171	53.2 Å²	53.2	74%	0.743	27%	0.265	S	S	*	.			trans	-138.2	151.8	-177.1	-59.2	179.6	-176.6	178.2	0	109.5
609	G	93.6	Very high	94.9	Very high	21 Å²	21	50.4 Å²	50.4	22%	0.216	25%	0.246	C	C	.	.			trans	-94.7	-177.3	167.8	0	0	0	0	0	112.4
610	S	95.8	Very high	95.3	Very high	23 Å²	23	48.7 Å²	48.7	16%	0.161	24%	0.235	C	C	.	.			trans	-82.2	174.1	170.8	59.7	0	0	0	0	113	Y592 Q612 F613 E614 D692	Y592-S610 PolarHBondContact OH-N 2.85Å; S610-Q612 PolarHBondContact O-N 3.23Å; S610-F613 PolarHBondContact O-N 3.22Å; S610-F613 PolarHBondContact OG-N 2.86Å; S610-E614 PolarHBondContact O-N 2.77Å; S610-D692 WeakPolarHBondContact CB-OD2 3.29Å; S610-D692 PolarHBondContact OG-OD2 2.8Å
611	E	95	Very high	95.5	Very high	118 Å²	118	48.3 Å²	48.3	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-60.1	-36.6	171.3	-162	-167.2	158.5	0	0	111.5	F613 E614 R615	E611-F613 VanDerWaalsContact C-N 3.34Å; E611-E614 PolarHBondContact O-N 2.86Å; E611-R615 VanDerWaalsContact O-CB 3.31Å; E611-R615 WeakPolarHBondContact O-CB 3.15Å; E611-R615 WeakPolarHBondContact O-CG 3.31Å; E611-R615 PolarHBondContact O-N 2.98Å; E611-R615 IonicContact OE1-CZ 3.86Å; E611-R615 VanDerWaalsContact OE1-CZ 3.23Å; E611-R615 IonicContact OE1-NE 2.64Å; E611-R615 PolarHBondContact OE1-NE 3.45Å; E611-R615 IonicContact OE1-NH2 2.74Å; E611-R615 PolarHBondContact OE1-NH2 2.86Å; E611-R615 IonicContact OE2-NH2 3.28Å
612	Q	94.3	Very high	95.7	Very high	38 Å²	38	51 Å²	51	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-40	176.6	-69	68.7	18.1	0	0	111.1	S610 F616 F690 Y720	S610-Q612 PolarHBondContact O-N 3.23Å; Q612-F616 WeakPolarHBondContact O-CB 3.41Å; Q612-F616 PolarHBondContact O-N 2.76Å; Q612-F690 HydrophobicContact CB-CE1 4.41Å; Q612-F690 HydrophobicContact CB-CZ 4.08Å; Q612-Y720 HydrophobicContact CB-CD1 4.13Å; Q612-Y720 HydrophobicContact CG-CD1 3.67Å; Q612-Y720 HydrophobicContact CG-CE1 3.89Å
613	F	97.1	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.8	-44	175.4	-176.6	-116.2	0	0	0	113.1	V590 Y592 S610 E611 F616 I617 I661 T663 F690	V590-F613 HydrophobicContact CG1-CE2 3.9Å; V590-F613 HydrophobicContact CG1-CZ 4.09Å; Y592-F613 HydrophobicContact CD2-CB 3.69Å; Y592-F613 AromaticContact CD2-CD1 3.88Å; Y592-F613 HydrophobicContact CD2-CD1 3.88Å; Y592-F613 AromaticContact CD2-CD2 3.64Å; Y592-F613 HydrophobicContact CD2-CD2 3.64Å; Y592-F613 HydrophobicContact CD2-CE1 4.34Å; Y592-F613 HydrophobicContact CD2-CE2 4.16Å; Y592-F613 AromaticContact CD2-CG 3.46Å; Y592-F613 HydrophobicContact CD2-CG 3.46Å; Y592-F613 VanDerWaalsContact CD2-CG 3.46Å; Y592-F613 HydrophobicContact CD2-CZ 4.48Å; Y592-F613 HydrophobicContact CE2-CB 3.76Å; Y592-F613 HydrophobicContact CE2-CG 4.07Å; Y592-F613 HydrophobicContact CG-CD1 4.22Å; Y592-F613 HydrophobicContact CG-CD2 4.4Å; Y592-F613 HydrophobicContact CG-CE1 4.31Å; Y592-F613 HydrophobicContact CG-CG 4.22Å; Y592-F613 HydrophobicContact CG-CZ 4.48Å; S610-F613 PolarHBondContact O-N 3.22Å; S610-F613 PolarHBondContact OG-N 2.86Å; E611-F613 VanDerWaalsContact C-N 3.34Å; F613-F616 HydrophobicContact CD2-CD1 4.42Å; F613-F616 WeakPolarHBondContact O-CB 3.5Å; F613-F616 PolarHBondContact O-N 3.19Å; F613-F616 VanDerWaalsContact O-N 3.16Å; F613-I617 HydrophobicContact CD1-CD1 3.59Å; F613-I617 HydrophobicContact CD1-CG1 4.45Å; F613-I617 HydrophobicContact CE1-CD1 3.29Å; F613-I617 HydrophobicContact CE1-CG1 4.23Å; F613-I617 HydrophobicContact CE2-CD1 4.33Å; F613-I617 HydrophobicContact CE2-CG1 4.45Å; F613-I617 HydrophobicContact CG-CD1 4.28Å; F613-I617 HydrophobicContact CZ-CD1 3.7Å; F613-I617 HydrophobicContact CZ-CG1 4.22Å; F613-I617 WeakPolarHBondContact O-CG1 3.49Å; F613-I617 PolarHBondContact O-N 2.82Å; F613-I661 HydrophobicContact CE1-CG2 4.28Å; F613-I661 HydrophobicContact CZ-CG2 4.17Å; F613-T663 HydrophobicContact CD1-CG2 4.45Å; F613-T663 HydrophobicContact CE1-CG2 3.8Å; F613-F690 HydrophobicContact CB-CD1 4.1Å; F613-F690 HydrophobicContact CB-CE1 4.05Å; F613-F690 HydrophobicContact CD2-CB 3.61Å; F613-F690 AromaticContact CD2-CD1 3.66Å; F613-F690 HydrophobicContact CD2-CD1 3.66Å; F613-F690 HydrophobicContact CD2-CD2 4.22Å; F613-F690 HydrophobicContact CD2-CE1 4.36Å; F613-F690 AromaticContact CD2-CG 3.57Å; F613-F690 HydrophobicContact CD2-CG 3.57Å; F613-F690 HydrophobicContact CE2-CB 3.71Å; F613-F690 HydrophobicContact CE2-CG 4.19Å; F613-F690 HydrophobicContact CG-CD1 4.33Å
614	E	96.8	Very high	95.8	Very high	56 Å²	56	51.8 Å²	51.8	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-38.4	177.3	-60.9	-67.1	140.8	0	0	111.1	S610 E611 F616 I617 D618 R623	S610-E614 PolarHBondContact O-N 2.77Å; E611-E614 PolarHBondContact O-N 2.86Å; E614-F616 VanDerWaalsContact C-N 3.29Å; E614-F616 PolarHBondContact O-N 2.98Å; E614-I617 WeakPolarHBondContact O-CB 3.38Å; E614-I617 PolarHBondContact O-N 3.47Å; E614-D618 PolarHBondContact O-N 2.73Å; E614-R623 IonicContact OE2-CZ 3.23Å; E614-R623 IonicContact OE2-NH2 2.75Å; E614-R623 PolarHBondContact OE2-NH2 3.43Å
615	R	95.5	Very high	95.9	Very high	114 Å²	114	54 Å²	54	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-37.5	169.7	-73.8	169.9	-178.5	-160.1	6.7	112.5	E611 L619	E611-R615 VanDerWaalsContact O-CB 3.31Å; E611-R615 WeakPolarHBondContact O-CB 3.15Å; E611-R615 WeakPolarHBondContact O-CG 3.31Å; E611-R615 PolarHBondContact O-N 2.98Å; E611-R615 IonicContact OE1-CZ 3.86Å; E611-R615 VanDerWaalsContact OE1-CZ 3.23Å; E611-R615 IonicContact OE1-NE 2.64Å; E611-R615 PolarHBondContact OE1-NE 3.45Å; E611-R615 IonicContact OE1-NH2 2.74Å; E611-R615 PolarHBondContact OE1-NH2 2.86Å; E611-R615 IonicContact OE2-NH2 3.28Å; R615-L619 WeakPolarHBondContact O-CB 3.44Å; R615-L619 PolarHBondContact O-N 2.91Å; R615-L619 VanDerWaalsContact O-N 3.09Å
616	F	97.4	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.9	-38.3	174.9	171.6	-107.9	0	0	0	112.4	V590 Q612 F613 E614 L619 L620 I688 F690 V718 Y727 F756 L760	V590-F616 HydrophobicContact CG1-CE1 4.23Å; Q612-F616 WeakPolarHBondContact O-CB 3.41Å; Q612-F616 PolarHBondContact O-N 2.76Å; F613-F616 HydrophobicContact CD2-CD1 4.42Å; F613-F616 WeakPolarHBondContact O-CB 3.5Å; F613-F616 PolarHBondContact O-N 3.19Å; F613-F616 VanDerWaalsContact O-N 3.16Å; E614-F616 VanDerWaalsContact C-N 3.29Å; E614-F616 PolarHBondContact O-N 2.98Å; F616-L619 WeakPolarHBondContact O-CB 3.25Å; F616-L619 PolarHBondContact O-N 3.3Å; F616-L620 HydrophobicContact CD1-CD1 4.41Å; F616-L620 HydrophobicContact CE1-CD1 3.79Å; F616-L620 HydrophobicContact CE1-CG 4.27Å; F616-L620 HydrophobicContact CE2-CD2 4.13Å; F616-L620 HydrophobicContact CE2-CG 4.27Å; F616-L620 HydrophobicContact CZ-CD1 3.9Å; F616-L620 HydrophobicContact CZ-CD2 3.91Å; F616-L620 HydrophobicContact CZ-CG 4Å; F616-L620 WeakPolarHBondContact O-CG 3.46Å; F616-L620 PolarHBondContact O-N 2.95Å; F616-L620 VanDerWaalsContact O-N 3.08Å; F616-I688 HydrophobicContact CE1-CG2 3.96Å; F616-I688 HydrophobicContact CZ-CD1 4.33Å; F616-I688 HydrophobicContact CZ-CG2 3.84Å; F616-F690 HydrophobicContact CB-CD2 4.02Å; F616-F690 HydrophobicContact CB-CE2 3.67Å; F616-F690 HydrophobicContact CB-CZ 4.46Å; F616-F690 AromaticContact CD1-CD2 3.51Å; F616-F690 HydrophobicContact CD1-CD2 3.51Å; F616-F690 HydrophobicContact CD1-CE2 4.07Å; F616-F690 HydrophobicContact CD1-CG 4.3Å; F616-F690 HydrophobicContact CD2-CD2 4.4Å; F616-F690 HydrophobicContact CD2-CE2 4.42Å; F616-F690 HydrophobicContact CE1-CD2 4.07Å; F616-F690 AromaticContact CG-CD2 3.7Å; F616-F690 HydrophobicContact CG-CD2 3.7Å; F616-F690 AromaticContact CG-CE2 3.78Å; F616-F690 HydrophobicContact CG-CE2 3.78Å; F616-V718 HydrophobicContact CD2-CG1 4.46Å; F616-V718 HydrophobicContact CE2-CG1 4.2Å; F616-V718 HydrophobicContact CE2-CG2 4.47Å; F616-V718 HydrophobicContact CZ-CG2 4.23Å; F616-Y727 HydrophobicContact CB-CE1 4.3Å; F616-Y727 AromaticContact CD2-CE1 3.87Å; F616-Y727 HydrophobicContact CD2-CE1 3.87Å; F616-Y727 HydrophobicContact CG-CE1 4.46Å; F616-F756 HydrophobicContact CD2-CE1 4.06Å; F616-F756 AromaticContact CE2-CE1 3.71Å; F616-F756 HydrophobicContact CE2-CE1 3.71Å; F616-F756 HydrophobicContact CE2-CZ 4.11Å; F616-L760 HydrophobicContact CE2-CD2 3.91Å; F616-L760 HydrophobicContact CZ-CD2 3.99Å
617	I	97.5	Very high	95.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-49.3	173.3	-76.8	169.3	0	0	0	111	F613 E614 L619 L620 V648 I661	F613-I617 HydrophobicContact CD1-CD1 3.59Å; F613-I617 HydrophobicContact CD1-CG1 4.45Å; F613-I617 HydrophobicContact CE1-CD1 3.29Å; F613-I617 HydrophobicContact CE1-CG1 4.23Å; F613-I617 HydrophobicContact CE2-CD1 4.33Å; F613-I617 HydrophobicContact CE2-CG1 4.45Å; F613-I617 HydrophobicContact CG-CD1 4.28Å; F613-I617 HydrophobicContact CZ-CD1 3.7Å; F613-I617 HydrophobicContact CZ-CG1 4.22Å; F613-I617 WeakPolarHBondContact O-CG1 3.49Å; F613-I617 PolarHBondContact O-N 2.82Å; E614-I617 WeakPolarHBondContact O-CB 3.38Å; E614-I617 PolarHBondContact O-N 3.47Å; I617-L619 PolarHBondContact O-N 3.11Å; I617-L620 WeakPolarHBondContact O-CB 3.46Å; I617-L620 PolarHBondContact O-N 3.06Å; I617-V648 HydrophobicContact CG2-CG2 3.46Å; I617-V648 VanDerWaalsContact CG2-CG2 3.46Å; I617-I661 HydrophobicContact CD1-CD1 4.27Å; I617-I661 HydrophobicContact CD1-CG2 3.7Å; I617-I661 HydrophobicContact CG1-CD1 4.07Å; I617-I661 HydrophobicContact CG1-CG2 4.41Å; I617-I661 HydrophobicContact CG2-CD1 3.82Å
618	D	96.7	Very high	95.6	Very high	96 Å²	96	57.2 Å²	57.2	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-68.3	-24.2	179.4	-68.3	-14.7	0	0	0	111.9	E614	E614-D618 PolarHBondContact O-N 2.73Å
619	L	96.7	Very high	95.4	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-70.4	-34.9	169.5	-178.8	65.4	0	0	0	112.3	R615 F616 I617 G621 Y727 F756 R757	R615-L619 WeakPolarHBondContact O-CB 3.44Å; R615-L619 PolarHBondContact O-N 2.91Å; R615-L619 VanDerWaalsContact O-N 3.09Å; F616-L619 WeakPolarHBondContact O-CB 3.25Å; F616-L619 PolarHBondContact O-N 3.3Å; I617-L619 PolarHBondContact O-N 3.11Å; L619-G621 PolarHBondContact O-N 3.1Å; L619-Y727 HydrophobicContact CD2-CE2 3.93Å; L619-F756 HydrophobicContact CD2-CD1 4.05Å; L619-R757 HydrophobicContact CD1-CB 4.08Å; L619-R757 HydrophobicContact CD1-CG 4.48Å; L619-R757 HydrophobicContact CG-CB 4.13Å; L619-R757 HydrophobicContact CG-CG 4.41Å; L619-R757 WeakPolarHBondContact O-CD 3.12Å; L619-R757 WeakPolarHBondContact O-CG 3.48Å; L619-R757 PolarHBondContact O-NE 3.41Å
620	L	97.5	Very high	95.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-37.1	-179.3	-72.2	174.5	0	0	0	112.6	V590 F616 I617 V648 F659 I688 R757 L760	V590-L620 HydrophobicContact CG2-CD1 4.13Å; F616-L620 HydrophobicContact CD1-CD1 4.41Å; F616-L620 HydrophobicContact CE1-CD1 3.79Å; F616-L620 HydrophobicContact CE1-CG 4.27Å; F616-L620 HydrophobicContact CE2-CD2 4.13Å; F616-L620 HydrophobicContact CE2-CG 4.27Å; F616-L620 HydrophobicContact CZ-CD1 3.9Å; F616-L620 HydrophobicContact CZ-CD2 3.91Å; F616-L620 HydrophobicContact CZ-CG 4Å; F616-L620 WeakPolarHBondContact O-CG 3.46Å; F616-L620 PolarHBondContact O-N 2.95Å; F616-L620 VanDerWaalsContact O-N 3.08Å; I617-L620 WeakPolarHBondContact O-CB 3.46Å; I617-L620 PolarHBondContact O-N 3.06Å; L620-V648 HydrophobicContact CB-CG1 4.39Å; L620-F659 HydrophobicContact CB-CD2 4.34Å; L620-F659 HydrophobicContact CB-CE2 3.95Å; L620-F659 HydrophobicContact CB-CZ 4.05Å; L620-F659 HydrophobicContact CD1-CD1 4.04Å; L620-F659 HydrophobicContact CD1-CE1 4.01Å; L620-F659 HydrophobicContact CD1-CG 4.39Å; L620-F659 HydrophobicContact CD1-CZ 4.34Å; L620-F659 HydrophobicContact CD2-CE1 4.17Å; L620-F659 HydrophobicContact CD2-CZ 4.06Å; L620-F659 HydrophobicContact CG-CE1 4.49Å; L620-F659 HydrophobicContact CG-CZ 4.39Å; L620-I688 HydrophobicContact CD1-CD1 4.13Å; L620-I688 HydrophobicContact CD2-CD1 4.16Å; L620-R757 PolarHBondContact O-NH2 3.46Å; L620-L760 HydrophobicContact CD2-CD2 3.89Å
621	G	95.7	Very high	94.7	Very high	13 Å²	13	61.9 Å²	61.9	13%	0.134	31%	0.308	C	S	.	.	S	Bend	trans	177.6	-167.3	-177.5	0	0	0	0	0	115.2	L619 V648	L619-G621 PolarHBondContact O-N 3.1Å; G621-V648 VanDerWaalsContact C-CG1 3.49Å
622	E	95.6	Very high	94.4	Very high	139 Å²	139	58.9 Å²	58.9	65%	0.65	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	131	177.3	-174.1	178.6	178.6	0	0	110.4	I624 V648 Y649	E622-I624 HydrophobicContact CG-CG2 4.33Å; E622-I624 PolarHBondContact O-N 3.1Å; E622-V648 WeakPolarHBondContact O-CA 3.34Å; E622-Y649 PolarHBondContact N-O 3.18Å; E622-Y649 PolarHBondContact O-N 3.21Å
623	R	96.8	Very high	94.3	Very high	89 Å²	89	61 Å²	61	34%	0.336	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.2	171.6	-173.9	-177.2	-70.5	-120.1	8.9	110.1	E614 D646 S647 V648 L664	E614-R623 IonicContact OE2-CZ 3.23Å; E614-R623 IonicContact OE2-NH2 2.75Å; E614-R623 PolarHBondContact OE2-NH2 3.43Å; R623-D646 WeakPolarHBondContact CD-OD2 3.45Å; R623-D646 HydrophobicContact CG-CB 4.33Å; R623-D646 IonicContact CZ-OD2 3.65Å; R623-D646 IonicContact NE-OD2 2.73Å; R623-D646 IonicContact NH1-OD2 3.42Å; R623-D646 PolarHBondContact NH1-OD2 2.96Å; R623-S647 CarbonylContact C-O 3.59Å; R623-S647 WeakPolarHBondContact CA-O 3.47Å; R623-V648 HydrophobicContact CB-CG2 4.2Å; R623-L664 VanDerWaalsContact NH1-CD2 3.29Å
624	I	96.1	Very high	94	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.1	-174.2	57.2	154.4	0	0	0	111.8	E622 W629 D646 S647 Y649 M658	E622-I624 HydrophobicContact CG-CG2 4.33Å; E622-I624 PolarHBondContact O-N 3.1Å; I624-W629 HydrophobicContact CB-CE3 4.17Å; I624-W629 HydrophobicContact CB-CH2 4.27Å; I624-W629 HydrophobicContact CB-CZ3 3.95Å; I624-W629 HydrophobicContact CD1-CD2 3.62Å; I624-W629 VanDerWaalsContact CD1-CE2 3.49Å; I624-W629 HydrophobicContact CD1-CE3 3.95Å; I624-W629 HydrophobicContact CD1-CG 4.13Å; I624-W629 HydrophobicContact CD1-CH2 4.08Å; I624-W629 HydrophobicContact CD1-CZ2 3.74Å; I624-W629 HydrophobicContact CD1-CZ3 4.17Å; I624-W629 HydrophobicContact CG2-CE3 4.38Å; I624-W629 HydrophobicContact CG2-CH2 3.65Å; I624-W629 HydrophobicContact CG2-CZ2 4.35Å; I624-W629 HydrophobicContact CG2-CZ3 3.66Å; I624-D646 CarbonylContact O-C 3.51Å; I624-D646 WeakPolarHBondContact O-CA 3.45Å; I624-D646 WeakPolarHBondContact O-CB 3.44Å; I624-S647 WeakPolarHBondContact CG1-O 3.16Å; I624-S647 PolarHBondContact N-O 3.16Å; I624-S647 PolarHBondContact O-N 3.38Å; I624-Y649 HydrophobicContact CD1-CG 4.36Å; I624-M658 HydrophobicContact CD1-CE 3.62Å; I624-M658 HydrophobicContact CD1-SD 4.3Å
625	G	96.2	Very high	93.8	Very high	49 Å²	49	61.1 Å²	61.1	51%	0.505	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.7	168	0	0	0	0	0	111.1	K627	G625-K627 VanDerWaalsContact C-N 3.32Å; G625-K627 PolarHBondContact O-N 3.12Å
626	L	94.9	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.			trans	-68.1	-31.6	-177.7	-68.8	175.6	0	0	0	112.9	S628 W629 L636 T638 I645	L626-S628 PolarHBondContact O-N 3.11Å; L626-W629 VanDerWaalsContact O-CB 3.3Å; L626-W629 WeakPolarHBondContact O-CB 3.33Å; L626-W629 PolarHBondContact O-N 2.78Å; L626-W629 VanDerWaalsContact O-N 3.08Å; L626-L636 HydrophobicContact CD1-CB 4.41Å; L626-L636 HydrophobicContact CD1-CD1 4.12Å; L626-L636 HydrophobicContact CD2-CB 4.22Å; L626-L636 HydrophobicContact CD2-CD1 3.66Å; L626-T638 WeakPolarHBondContact O-CA 3.49Å; L626-T638 WeakPolarHBondContact O-CB 3.25Å; L626-T638 WeakPolarHBondContact O-CG2 3.41Å; L626-I645 PolarHBondContact N-O 2.85Å
627	K	93.3	Very high	93.7	Very high	136 Å²	136	57 Å²	57	59%	0.591	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	116.4	-174.8	-167.6	177.8	179.4	178.8	0	111.6	G625 W629 N641	G625-K627 VanDerWaalsContact C-N 3.32Å; G625-K627 PolarHBondContact O-N 3.12Å; K627-W629 VanDerWaalsContact C-N 3.29Å; K627-N641 WeakPolarHBondContact CB-OD1 2.87Å
628	S	91.3	Very high	93.5	Very high	102 Å²	102	57.9 Å²	57.9	71%	0.713	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	14.5	-174	-20.8	0	0	0	0	114.9	L626 D630 T638	L626-S628 PolarHBondContact O-N 3.11Å; S628-D630 PolarHBondContact O-N 2.61Å; S628-T638 PolarHBondContact N-O 3.2Å
629	W	90.6	Very high	93.3	Very high	44 Å²	44	61.8 Å²	61.8	17%	0.167	32%	0.322	C	S	.	.			trans	-61.7	129.9	170.6	-174.2	-106.2	0	0	0	110.8	I624 L626 K627 R631 F632 T638 Y649	I624-W629 HydrophobicContact CB-CE3 4.17Å; I624-W629 HydrophobicContact CB-CH2 4.27Å; I624-W629 HydrophobicContact CB-CZ3 3.95Å; I624-W629 HydrophobicContact CD1-CD2 3.62Å; I624-W629 VanDerWaalsContact CD1-CE2 3.49Å; I624-W629 HydrophobicContact CD1-CE3 3.95Å; I624-W629 HydrophobicContact CD1-CG 4.13Å; I624-W629 HydrophobicContact CD1-CH2 4.08Å; I624-W629 HydrophobicContact CD1-CZ2 3.74Å; I624-W629 HydrophobicContact CD1-CZ3 4.17Å; I624-W629 HydrophobicContact CG2-CE3 4.38Å; I624-W629 HydrophobicContact CG2-CH2 3.65Å; I624-W629 HydrophobicContact CG2-CZ2 4.35Å; I624-W629 HydrophobicContact CG2-CZ3 3.66Å; L626-W629 VanDerWaalsContact O-CB 3.3Å; L626-W629 WeakPolarHBondContact O-CB 3.33Å; L626-W629 PolarHBondContact O-N 2.78Å; L626-W629 VanDerWaalsContact O-N 3.08Å; K627-W629 VanDerWaalsContact C-N 3.29Å; W629-R631 HydrophobicContact CH2-CG 4.44Å; W629-R631 HydrophobicContact CZ2-CB 3.87Å; W629-R631 HydrophobicContact CZ2-CG 3.97Å; W629-F632 PolarHBondContact NE1-O 2.97Å; W629-T638 HydrophobicContact CB-CG2 3.84Å; W629-Y649 HydrophobicContact CH2-CD1 4Å; W629-Y649 HydrophobicContact CH2-CE1 4.08Å; W629-Y649 HydrophobicContact CH2-CG 4.35Å; W629-Y649 AromaticContact CZ2-CD1 3.81Å; W629-Y649 HydrophobicContact CZ2-CD1 3.81Å; W629-Y649 AromaticContact CZ2-CD2 3.81Å; W629-Y649 HydrophobicContact CZ2-CD2 3.81Å; W629-Y649 AromaticContact CZ2-CE1 3.84Å; W629-Y649 HydrophobicContact CZ2-CE1 3.84Å; W629-Y649 AromaticContact CZ2-CE2 3.81Å; W629-Y649 HydrophobicContact CZ2-CE2 3.81Å; W629-Y649 AromaticContact CZ2-CG 3.79Å; W629-Y649 HydrophobicContact CZ2-CG 3.79Å; W629-Y649 AromaticContact CZ2-CZ 3.83Å
630	D	87.6	Confident	93	Very high	141 Å²	141	64.3 Å²	64.3	75%	0.754	34%	0.342	S	S	*	.			trans	-107.9	-16.9	-168.4	61.6	-16.5	0	0	0	114.2	S628	S628-D630 PolarHBondContact O-N 2.61Å
631	R	87.3	Confident	92.8	Very high	129 Å²	129	66.8 Å²	66.8	49%	0.487	36%	0.355	S	S	.	.	S	Bend	trans	-88.9	-167.4	178.7	-46.2	-168.6	-178.3	176.8	2.3	113.5	W629 K633 Y649 E656	W629-R631 HydrophobicContact CH2-CG 4.44Å; W629-R631 HydrophobicContact CZ2-CB 3.87Å; W629-R631 HydrophobicContact CZ2-CG 3.97Å; R631-K633 PolarHBondContact O-N 3.29Å; R631-Y649 WeakPolarHBondContact CD-OH 3.33Å; R631-Y649 PolarHBondContact NH1-OH 3.35Å; R631-Y649 VanDerWaalsContact NH1-OH 3.11Å; R631-E656 WeakPolarHBondContact CB-OE1 3.43Å
632	F	88.2	Confident	92.6	Very high	55 Å²	55	70.4 Å²	70.4	24%	0.241	37%	0.374	C	S	.	.			trans	-55.2	138.4	173.4	-177.4	-103.2	0	0	0	111.9	N585 F586 W629 E656 M658	N585-F632 HydrophobicContact CB-CB 4.36Å; N585-F632 HydrophobicContact CB-CD1 3.96Å; N585-F632 HydrophobicContact CB-CD2 3.64Å; N585-F632 HydrophobicContact CB-CE1 4.12Å; N585-F632 HydrophobicContact CB-CE2 3.81Å; N585-F632 HydrophobicContact CB-CG 3.71Å; N585-F632 HydrophobicContact CB-CZ 4.04Å; F586-F632 VanDerWaalsContact O-CE1 3.29Å; F586-F632 WeakPolarHBondContact O-CE1 2.97Å; W629-F632 PolarHBondContact NE1-O 2.97Å; F632-E656 HydrophobicContact CB-CB 3.88Å; F632-E656 HydrophobicContact CB-CG 4.33Å; F632-E656 VanDerWaalsContact CB-OE2 3.25Å; F632-E656 WeakPolarHBondContact CB-OE2 3.42Å; F632-E656 HydrophobicContact CD1-CB 4.42Å; F632-E656 HydrophobicContact CG-CB 4.42Å; F632-E656 PolarHBondContact N-OE1 3.28Å; F632-M658 HydrophobicContact CD1-CB 4.02Å; F632-M658 HydrophobicContact CE1-CB 3.85Å; F632-M658 VanDerWaalsContact O-CE 3.22Å; F632-M658 WeakPolarHBondContact O-CE 3.44Å
633	K	91.5	Very high	92.6	Very high	83 Å²	83	64.1 Å²	64.1	36%	0.361	35%	0.346	S	S	.	.			trans	-131.5	9.3	-164.9	68.5	176.4	-166.7	135.9	0	115.5	R631 G635 L636 T638	R631-K633 PolarHBondContact O-N 3.29Å; K633-G635 PolarHBondContact O-N 3.21Å; K633-L636 PolarHBondContact NZ-O 2.98Å; K633-L636 VanDerWaalsContact O-CB 3.32Å; K633-L636 WeakPolarHBondContact O-CB 3.21Å; K633-L636 PolarHBondContact O-N 2.77Å; K633-T638 HydrophobicContact CB-CG2 3.98Å; K633-T638 HydrophobicContact CD-CG2 3.83Å
634	G	91.1	Very high	92.4	Very high	10 Å²	10	60.3 Å²	60.3	10%	0.103	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-19.4	179.7	0	0	0	0	0	117.3	K587 H660	K587-G634 VanDerWaalsContact CD-O 3.25Å; K587-G634 WeakPolarHBondContact CD-O 3.39Å; G634-H660 PolarHBondContact O-CE1 3.02Å
635	G	92.6	Very high	92.4	Very high	48 Å²	48	65.5 Å²	65.5	50%	0.495	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.7	-2.9	-165.4	0	0	0	0	0	113.6	K633	K633-G635 PolarHBondContact O-N 3.21Å
636	L	95.9	Very high	92.4	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.016	35%	0.345	C	S	.	.			trans	-65.4	162	175.3	-60	173.2	0	0	0	112.7	L626 K633 T643 M658 L665	L626-L636 HydrophobicContact CD1-CB 4.41Å; L626-L636 HydrophobicContact CD1-CD1 4.12Å; L626-L636 HydrophobicContact CD2-CB 4.22Å; L626-L636 HydrophobicContact CD2-CD1 3.66Å; K633-L636 PolarHBondContact NZ-O 2.98Å; K633-L636 VanDerWaalsContact O-CB 3.32Å; K633-L636 WeakPolarHBondContact O-CB 3.21Å; K633-L636 PolarHBondContact O-N 2.77Å; L636-T643 WeakPolarHBondContact CB-OG1 3.3Å; L636-T643 HydrophobicContact CD2-CG2 4.47Å; L636-T643 WeakPolarHBondContact CD2-OG1 3.49Å; L636-M658 HydrophobicContact CD1-CG 3.99Å; L636-M658 HydrophobicContact CD1-SD 3.99Å; L636-L665 HydrophobicContact CD2-CD2 3.81Å
637	D	95	Very high	92.5	Very high	25 Å²	25	64.9 Å²	64.9	13%	0.134	35%	0.346	C	S	.	.			trans	-88.3	118.4	173.9	174.9	32	0	0	0	111.6	K639 S640 N641 T642 T643	D637-K639 PolarHBondContact OD1-N 3.23Å; D637-S640 PolarHBondContact OD1-N 3.42Å; D637-S640 WeakPolarHBondContact OD2-CA 3.38Å; D637-S640 VanDerWaalsContact OD2-CB 3.3Å; D637-S640 WeakPolarHBondContact OD2-CB 3.35Å; D637-S640 PolarHBondContact OD2-N 3Å; D637-S640 PolarHBondContact OD2-OG 2.68Å; D637-N641 PolarHBondContact OD2-N 3.19Å; D637-T642 WeakPolarHBondContact CB-OG1 3.28Å; D637-T642 PolarHBondContact OD2-N 2.86Å; D637-T642 PolarHBondContact OD2-OG1 3.04Å; D637-T643 HydrophobicContact CB-CG2 4.08Å; D637-T643 PolarHBondContact N-OG1 2.9Å
638	T	92.6	Very high	92.7	Very high	18 Å²	18	58.4 Å²	58.4	11%	0.11	32%	0.318	C	S	.	.	S	Bend	trans	-101.9	9.7	178.7	59.2	0	0	0	0	113.3	L626 S628 W629 K633	L626-T638 WeakPolarHBondContact O-CA 3.49Å; L626-T638 WeakPolarHBondContact O-CB 3.25Å; L626-T638 WeakPolarHBondContact O-CG2 3.41Å; S628-T638 PolarHBondContact N-O 3.2Å; W629-T638 HydrophobicContact CB-CG2 3.84Å; K633-T638 HydrophobicContact CB-CG2 3.98Å; K633-T638 HydrophobicContact CD-CG2 3.83Å
639	K	92.7	Very high	93	Very high	177 Å²	177	53.8 Å²	53.8	77%	0.77	29%	0.285	S	S	*	.	S	Bend	trans	-119	-41.5	-174.2	-62.9	-172.2	177.3	-173.5	0	114.5	D637	D637-K639 PolarHBondContact OD1-N 3.23Å
640	S	91.7	Very high	93.2	Very high	81 Å²	81	52.4 Å²	52.4	57%	0.566	28%	0.282	S	S	*	.	S	Bend	trans	-124.6	6.9	-170.4	34.3	0	0	0	0	114.3	D637 T642	D637-S640 PolarHBondContact OD1-N 3.42Å; D637-S640 WeakPolarHBondContact OD2-CA 3.38Å; D637-S640 VanDerWaalsContact OD2-CB 3.3Å; D637-S640 WeakPolarHBondContact OD2-CB 3.35Å; D637-S640 PolarHBondContact OD2-N 3Å; D637-S640 PolarHBondContact OD2-OG 2.68Å; S640-T642 PolarHBondContact O-N 3.18Å
641	N	92	Very high	93.2	Very high	52 Å²	52	47.8 Å²	47.8	28%	0.278	26%	0.256	S	S	.	.			trans	55.7	27.1	-179.7	-60.3	22.9	0	0	0	113.5	K627 D637 T643 G644 I645	K627-N641 WeakPolarHBondContact CB-OD1 2.87Å; D637-N641 PolarHBondContact OD2-N 3.19Å; N641-T643 PolarHBondContact O-N 3.33Å; N641-T643 VanDerWaalsContact O-N 3.14Å; N641-G644 CarbonylContact C-O 3.56Å; N641-G644 VanDerWaalsContact CA-O 3.3Å; N641-G644 WeakPolarHBondContact CA-O 3.2Å; N641-G644 WeakPolarHBondContact CB-O 3.48Å; N641-G644 PolarHBondContact O-N 3.17Å; N641-I645 HydrophobicContact CB-CG2 4.37Å
642	T	92.2	Very high	93.2	Very high	89 Å²	89	41.9 Å²	41.9	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.1	-177.4	67.6	0	0	0	0	113.8	D637 S640	D637-T642 WeakPolarHBondContact CB-OG1 3.28Å; D637-T642 PolarHBondContact OD2-N 2.86Å; D637-T642 PolarHBondContact OD2-OG1 3.04Å; S640-T642 PolarHBondContact O-N 3.18Å
643	T	94.4	Very high	92.6	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.049	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	34.6	178.9	66	0	0	0	0	111.2	L636 D637 N641	L636-T643 WeakPolarHBondContact CB-OG1 3.3Å; L636-T643 HydrophobicContact CD2-CG2 4.47Å; L636-T643 WeakPolarHBondContact CD2-OG1 3.49Å; D637-T643 HydrophobicContact CB-CG2 4.08Å; D637-T643 PolarHBondContact N-OG1 2.9Å; N641-T643 PolarHBondContact O-N 3.33Å; N641-T643 VanDerWaalsContact O-N 3.14Å
644	G	93.2	Very high	91.8	Very high	9 Å²	9	38.2 Å²	38.2	9%	0.093	22%	0.223	C	C	.	.			trans	103.3	175.2	-174.7	0	0	0	0	0	112.4	N641	N641-G644 CarbonylContact C-O 3.56Å; N641-G644 VanDerWaalsContact CA-O 3.3Å; N641-G644 WeakPolarHBondContact CA-O 3.2Å; N641-G644 WeakPolarHBondContact CB-O 3.48Å; N641-G644 PolarHBondContact O-N 3.17Å
645	I	96.1	Very high	91.3	Very high	116 Å²	116	38 Å²	38	60%	0.595	22%	0.22	S	C	*	.	S	Bend	trans	-102.4	-30	176.2	66.6	-179.6	0	0	0	111.8	L626 N641	L626-I645 PolarHBondContact N-O 2.85Å; N641-I645 HydrophobicContact CB-CG2 4.37Å
646	D	96.4	Very high	91.1	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.171	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	167.9	-177	62.9	-39	0	0	0	111.3	R623 I624	R623-D646 WeakPolarHBondContact CD-OD2 3.45Å; R623-D646 HydrophobicContact CG-CB 4.33Å; R623-D646 IonicContact CZ-OD2 3.65Å; R623-D646 IonicContact NE-OD2 2.73Å; R623-D646 IonicContact NH1-OD2 3.42Å; R623-D646 PolarHBondContact NH1-OD2 2.96Å; I624-D646 CarbonylContact O-C 3.51Å; I624-D646 WeakPolarHBondContact O-CA 3.45Å; I624-D646 WeakPolarHBondContact O-CB 3.44Å
647	S	97.5	Very high	91.1	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	173.2	177.3	-172.3	0	0	0	0	108.7	R623 I624 M658 F659	R623-S647 CarbonylContact C-O 3.59Å; R623-S647 WeakPolarHBondContact CA-O 3.47Å; I624-S647 WeakPolarHBondContact CG1-O 3.16Å; I624-S647 PolarHBondContact N-O 3.16Å; I624-S647 PolarHBondContact O-N 3.38Å; S647-M658 PolarHBondContact OG-SD 3.46Å; S647-F659 PolarHBondContact OG-O 3.49Å
648	V	97.8	Very high	91.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.2	169.7	174.6	0	0	0	0	111.5	I617 L620 G621 E622 R623 F659 I661	I617-V648 HydrophobicContact CG2-CG2 3.46Å; I617-V648 VanDerWaalsContact CG2-CG2 3.46Å; L620-V648 HydrophobicContact CB-CG1 4.39Å; G621-V648 VanDerWaalsContact C-CG1 3.49Å; E622-V648 WeakPolarHBondContact O-CA 3.34Å; R623-V648 HydrophobicContact CB-CG2 4.2Å; V648-F659 HydrophobicContact CB-CB 4.4Å; V648-F659 HydrophobicContact CB-CD2 4.31Å; V648-F659 HydrophobicContact CG1-CD2 3.93Å; V648-F659 PolarHBondContact O-N 2.78Å; V648-I661 HydrophobicContact CB-CD1 3.77Å; V648-I661 HydrophobicContact CG2-CD1 3.72Å
649	Y	96.8	Very high	91.4	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.3	-177.4	165.5	-86.2	0	0	0	110.6	E622 I624 W629 R631 I651 E656 I657 M658	E622-Y649 PolarHBondContact N-O 3.18Å; E622-Y649 PolarHBondContact O-N 3.21Å; I624-Y649 HydrophobicContact CD1-CG 4.36Å; W629-Y649 HydrophobicContact CH2-CD1 4Å; W629-Y649 HydrophobicContact CH2-CE1 4.08Å; W629-Y649 HydrophobicContact CH2-CG 4.35Å; W629-Y649 AromaticContact CZ2-CD1 3.81Å; W629-Y649 HydrophobicContact CZ2-CD1 3.81Å; W629-Y649 AromaticContact CZ2-CD2 3.81Å; W629-Y649 HydrophobicContact CZ2-CD2 3.81Å; W629-Y649 AromaticContact CZ2-CE1 3.84Å; W629-Y649 HydrophobicContact CZ2-CE1 3.84Å; W629-Y649 AromaticContact CZ2-CE2 3.81Å; W629-Y649 HydrophobicContact CZ2-CE2 3.81Å; W629-Y649 AromaticContact CZ2-CG 3.79Å; W629-Y649 HydrophobicContact CZ2-CG 3.79Å; W629-Y649 AromaticContact CZ2-CZ 3.83Å; R631-Y649 WeakPolarHBondContact CD-OH 3.33Å; R631-Y649 PolarHBondContact NH1-OH 3.35Å; R631-Y649 VanDerWaalsContact NH1-OH 3.11Å; Y649-I651 HydrophobicContact CE1-CG1 4.04Å; Y649-I651 WeakPolarHBondContact OH-CG1 3.15Å; Y649-E656 HydrophobicContact CE2-CB 3.95Å; Y649-E656 HydrophobicContact CE2-CG 4.37Å; Y649-E656 VanDerWaalsContact CE2-OE1 3.32Å; Y649-E656 WeakPolarHBondContact CE2-OE1 3.48Å; Y649-E656 PolarHBondContact OH-OE1 3.34Å; Y649-I657 VanDerWaalsContact CA-O 3.31Å; Y649-I657 WeakPolarHBondContact CA-O 3.38Å; Y649-I657 WeakPolarHBondContact CD2-O 3.16Å; Y649-M658 HydrophobicContact CD2-CE 3.93Å; Y649-M658 HydrophobicContact CG-CE 4.49Å
650	T	94	Very high	91.7	Very high	16 Å²	16	26.4 Å²	26.4	10%	0.098	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.6	168.8	-164.3	0	0	0	0	111.2	I657 F659 R757 L761	T650-I657 HydrophobicContact CG2-CB 4.01Å; T650-I657 HydrophobicContact CG2-CD1 3.89Å; T650-I657 HydrophobicContact CG2-CG1 4.24Å; T650-I657 PolarHBondContact N-O 3.4Å; T650-I657 VanDerWaalsContact N-O 3.08Å; T650-I657 PolarHBondContact O-N 2.86Å; T650-F659 HydrophobicContact CG2-CE2 4.17Å; T650-R757 PolarHBondContact OG1-NH2 3.31Å; T650-L761 HydrophobicContact CG2-CD1 4.27Å; T650-L761 HydrophobicContact CG2-CD2 4.43Å
651	I	89.6	Confident	92	Very high	43 Å²	43	22.7 Å²	22.7	22%	0.221	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.1	162.9	-60.5	178.3	0	0	0	107.1	Y649 H655 E656	Y649-I651 HydrophobicContact CE1-CG1 4.04Å; Y649-I651 WeakPolarHBondContact OH-CG1 3.15Å; I651-H655 WeakPolarHBondContact CA-O 3.48Å; I651-E656 HydrophobicContact CG1-CG 4.43Å
652	Y	85.7	Confident	92.2	Very high	6 Å²	6	20.2 Å²	20.2	2%	0.024	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.7	176	-171.9	-93.2	0	0	0	110.9	L472 G654 H655 E758 L761 V762 I765 R861	L472-Y652 HydrophobicContact CD1-CD1 4.36Å; L472-Y652 HydrophobicContact CD1-CE1 4.42Å; L472-Y652 HydrophobicContact CD2-CE1 4.39Å; L472-Y652 HydrophobicContact CG-CE1 4.45Å; Y652-G654 PolarHBondContact O-N 3.35Å; Y652-H655 PolarHBondContact N-O 3.48Å; Y652-H655 PolarHBondContact O-N 3.07Å; Y652-E758 HydrophobicContact CE2-CG 4.33Å; Y652-E758 PolarHBondContact OH-O 2.84Å; Y652-L761 HydrophobicContact CD1-CB 4.42Å; Y652-L761 HydrophobicContact CD2-CB 4.22Å; Y652-L761 HydrophobicContact CD2-CD1 3.63Å; Y652-L761 HydrophobicContact CE2-CB 4.37Å; Y652-L761 HydrophobicContact CE2-CD1 4.19Å; Y652-L761 HydrophobicContact CG-CB 4.23Å; Y652-L761 HydrophobicContact CG-CD1 4.11Å; Y652-V762 HydrophobicContact CE1-CG2 3.49Å; Y652-V762 VanDerWaalsContact CE1-CG2 3.49Å; Y652-V762 WeakPolarHBondContact OH-CG2 3.08Å; Y652-I765 HydrophobicContact CD1-CD1 4.04Å; Y652-R861 PolarHBondContact OH-NH1 2.86Å; Y652-R861 PolarHBondContact OH-NH2 2.6Å
653	E	75.5	Confident	92.4	Very high	45 Å²	45	16.8 Å²	16.8	21%	0.21	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	11.2	-173.2	-66.6	-93.1	154.9	0	0	114.9	L472 R477 S853 R861	L472-E653 HydrophobicContact CD1-CB 3.46Å; L472-E653 VanDerWaalsContact CD1-CB 3.46Å; L472-E653 HydrophobicContact CD1-CG 3.76Å; R477-E653 IonicContact CZ-OE2 3.53Å; R477-E653 VanDerWaalsContact CZ-OE2 3.31Å; R477-E653 IonicContact NH1-OE2 2.74Å; R477-E653 PolarHBondContact NH1-OE2 3.41Å; R477-E653 IonicContact NH2-OE2 3.82Å; R477-E653 PolarHBondContact NH2-OE2 3.02Å; E653-S853 VanDerWaalsContact O-CB 3.26Å; E653-S853 WeakPolarHBondContact O-CB 3.38Å; E653-S853 PolarHBondContact O-OG 3.24Å; E653-R861 IonicContact OE1-CZ 3.17Å; E653-R861 IonicContact OE1-NH1 3.78Å; E653-R861 PolarHBondContact OE1-NH1 2.9Å
654	G	74.7	Confident	92.5	Very high	15 Å²	15	17.8 Å²	17.8	16%	0.155	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.3	-20.5	-176.5	0	0	0	0	0	115.8	Y652 E656 S853	Y652-G654 PolarHBondContact O-N 3.35Å; G654-E656 PolarHBondContact O-N 2.87Å; G654-S853 WeakPolarHBondContact CA-OG 3.47Å
655	H	82	Confident	92.7	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.032	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.6	176.4	-62.3	-51.7	0	0	0	109.5	E476 V584 F586 I651 Y652 I765 K769	E476-H655 IonicContact OE1-CE1 2.63Å; E476-H655 PolarHBondContact OE1-CE1 2.84Å; E476-H655 IonicContact OE1-ND1 3.83Å; E476-H655 PolarHBondContact OE1-ND1 3.36Å; E476-H655 VanDerWaalsContact OE1-ND1 3.08Å; V584-H655 PolarHBondContact O-ND1 3.31Å; F586-H655 HydrophobicContact CD2-CB 3.93Å; F586-H655 HydrophobicContact CE2-CB 4.01Å; F586-H655 AromaticContact CE2-CG 3.73Å; F586-H655 AromaticContact CE2-ND1 3.7Å; I651-H655 WeakPolarHBondContact CA-O 3.48Å; Y652-H655 PolarHBondContact N-O 3.48Å; Y652-H655 PolarHBondContact O-N 3.07Å; H655-I765 HydrophobicContact CB-CD1 4.44Å; H655-K769 PolarHBondContact NE2-NZ 3.16Å
656	E	88.4	Confident	92.6	Very high	24 Å²	24	14.3 Å²	14.3	11%	0.112	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136	169.6	-52.2	-172.3	79.4	0	0	110	N585 F586 R631 F632 Y649 I651 G654	N585-E656 CarbonylContact C-O 3.58Å; N585-E656 VanDerWaalsContact CA-O 3.27Å; N585-E656 WeakPolarHBondContact CA-O 3.47Å; N585-E656 HydrophobicContact CB-CB 4.21Å; N585-E656 PolarHBondContact ND2-OE2 2.84Å; N585-E656 VanDerWaalsContact OD1-CB 3.26Å; N585-E656 WeakPolarHBondContact OD1-CB 3.01Å; N585-E656 WeakPolarHBondContact OD1-CG 3.3Å; N585-E656 PolarHBondContact OD1-N 2.87Å; F586-E656 PolarHBondContact N-O 3.15Å; R631-E656 WeakPolarHBondContact CB-OE1 3.43Å; F632-E656 HydrophobicContact CB-CB 3.88Å; F632-E656 HydrophobicContact CB-CG 4.33Å; F632-E656 VanDerWaalsContact CB-OE2 3.25Å; F632-E656 WeakPolarHBondContact CB-OE2 3.42Å; F632-E656 HydrophobicContact CD1-CB 4.42Å; F632-E656 HydrophobicContact CG-CB 4.42Å; F632-E656 PolarHBondContact N-OE1 3.28Å; Y649-E656 HydrophobicContact CE2-CB 3.95Å; Y649-E656 HydrophobicContact CE2-CG 4.37Å; Y649-E656 VanDerWaalsContact CE2-OE1 3.32Å; Y649-E656 WeakPolarHBondContact CE2-OE1 3.48Å; Y649-E656 PolarHBondContact OH-OE1 3.34Å; I651-E656 HydrophobicContact CG1-CG 4.43Å; G654-E656 PolarHBondContact O-N 2.87Å
657	I	94.2	Very high	92.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.9	-176.9	-47.3	178	0	0	0	108.9	F586 F588 Y649 T650 F659 L761 I765	F586-I657 WeakPolarHBondContact O-CA 3.47Å; F588-I657 HydrophobicContact CD2-CG2 3.58Å; F588-I657 HydrophobicContact CE2-CD1 4.43Å; F588-I657 HydrophobicContact CE2-CG2 3.68Å; Y649-I657 VanDerWaalsContact CA-O 3.31Å; Y649-I657 WeakPolarHBondContact CA-O 3.38Å; Y649-I657 WeakPolarHBondContact CD2-O 3.16Å; T650-I657 HydrophobicContact CG2-CB 4.01Å; T650-I657 HydrophobicContact CG2-CD1 3.89Å; T650-I657 HydrophobicContact CG2-CG1 4.24Å; T650-I657 PolarHBondContact N-O 3.4Å; T650-I657 VanDerWaalsContact N-O 3.08Å; T650-I657 PolarHBondContact O-N 2.86Å; I657-F659 HydrophobicContact CB-CE2 4.46Å; I657-F659 HydrophobicContact CG2-CD2 4.41Å; I657-F659 HydrophobicContact CG2-CE1 4.22Å; I657-F659 HydrophobicContact CG2-CE2 3.84Å; I657-F659 HydrophobicContact CG2-CZ 3.74Å; I657-L761 HydrophobicContact CD1-CD2 3.95Å; I657-I765 HydrophobicContact CD1-CD1 3.98Å; I657-I765 HydrophobicContact CD1-CG1 4.45Å
658	M	96.3	Very high	92.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	173	-174.6	59.5	68.4	0	0	110.4	F586 K587 F588 I624 F632 L636 S647 Y649	F586-M658 PolarHBondContact O-N 3.02Å; K587-M658 WeakPolarHBondContact CA-O 3.35Å; F588-M658 PolarHBondContact N-O 3Å; F588-M658 VanDerWaalsContact N-O 3.16Å; I624-M658 HydrophobicContact CD1-CE 3.62Å; I624-M658 HydrophobicContact CD1-SD 4.3Å; F632-M658 HydrophobicContact CD1-CB 4.02Å; F632-M658 HydrophobicContact CE1-CB 3.85Å; F632-M658 VanDerWaalsContact O-CE 3.22Å; F632-M658 WeakPolarHBondContact O-CE 3.44Å; L636-M658 HydrophobicContact CD1-CG 3.99Å; L636-M658 HydrophobicContact CD1-SD 3.99Å; S647-M658 PolarHBondContact OG-SD 3.46Å; Y649-M658 HydrophobicContact CD2-CE 3.93Å; Y649-M658 HydrophobicContact CG-CE 4.49Å
659	F	98.4	Very high	91.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.5	179.6	-67.9	-79.3	0	0	0	112	F588 V590 L620 S647 V648 T650 I657 I661 I688 L761	F588-F659 HydrophobicContact CB-CD1 4.04Å; F588-F659 HydrophobicContact CB-CE1 4.09Å; F588-F659 AromaticContact CD2-CE1 3.85Å; F588-F659 HydrophobicContact CD2-CE1 3.85Å; F588-F659 HydrophobicContact CD2-CZ 4.36Å; F588-F659 HydrophobicContact CG-CE1 4.48Å; F588-F659 CarbonylContact O-C 3.56Å; F588-F659 WeakPolarHBondContact O-CA 3.28Å; V590-F659 HydrophobicContact CG2-CB 4.08Å; V590-F659 HydrophobicContact CG2-CD1 3.68Å; V590-F659 HydrophobicContact CG2-CG 4.28Å; L620-F659 HydrophobicContact CB-CD2 4.34Å; L620-F659 HydrophobicContact CB-CE2 3.95Å; L620-F659 HydrophobicContact CB-CZ 4.05Å; L620-F659 HydrophobicContact CD1-CD1 4.04Å; L620-F659 HydrophobicContact CD1-CE1 4.01Å; L620-F659 HydrophobicContact CD1-CG 4.39Å; L620-F659 HydrophobicContact CD1-CZ 4.34Å; L620-F659 HydrophobicContact CD2-CE1 4.17Å; L620-F659 HydrophobicContact CD2-CZ 4.06Å; L620-F659 HydrophobicContact CG-CE1 4.49Å; L620-F659 HydrophobicContact CG-CZ 4.39Å; S647-F659 PolarHBondContact OG-O 3.49Å; V648-F659 HydrophobicContact CB-CB 4.4Å; V648-F659 HydrophobicContact CB-CD2 4.31Å; V648-F659 HydrophobicContact CG1-CD2 3.93Å; V648-F659 PolarHBondContact O-N 2.78Å; T650-F659 HydrophobicContact CG2-CE2 4.17Å; I657-F659 HydrophobicContact CB-CE2 4.46Å; I657-F659 HydrophobicContact CG2-CD2 4.41Å; I657-F659 HydrophobicContact CG2-CE1 4.22Å; I657-F659 HydrophobicContact CG2-CE2 3.84Å; I657-F659 HydrophobicContact CG2-CZ 3.74Å; F659-I661 VanDerWaalsContact C-N 3.35Å; F659-I661 HydrophobicContact CB-CD1 4.19Å; F659-I661 HydrophobicContact CB-CG1 4Å; F659-I661 PolarHBondContact O-N 2.93Å; F659-I688 HydrophobicContact CD1-CD1 4.49Å; F659-I688 HydrophobicContact CE1-CD1 4.07Å; F659-L761 HydrophobicContact CZ-CD2 3.81Å
660	H	98.2	Very high	91.3	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	82.6	172.8	-66.3	150.2	0	0	0	109.6	F588 V590 G634 L665 H680 I681 D684	F588-H660 PolarHBondContact O-N 3.48Å; V590-H660 PolarHBondContact N-O 3.15Å; G634-H660 PolarHBondContact O-CE1 3.02Å; H660-L665 HydrophobicContact CB-CD1 4.25Å; H660-H680 HydrophobicContact CB-CB 4.27Å; H660-H680 AromaticContact CE1-ND1 3.95Å; H660-H680 AromaticContact NE2-ND1 3.69Å; H660-I681 HydrophobicContact CB-CG1 4.01Å; H660-I681 VanDerWaalsContact O-CD1 3.32Å; H660-I681 WeakPolarHBondContact O-CD1 3.32Å; H660-I681 WeakPolarHBondContact O-CG1 3.38Å; H660-D684 IonicContact CE1-OD1 2.7Å; H660-D684 IonicContact CE1-OD2 2.76Å; H660-D684 IonicContact CG-OD2 3.61Å; H660-D684 VanDerWaalsContact ND1-CG 3.34Å; H660-D684 IonicContact ND1-OD1 2.98Å; H660-D684 PolarHBondContact ND1-OD1 2.94Å; H660-D684 VanDerWaalsContact ND1-OD1 3.15Å; H660-D684 IonicContact ND1-OD2 3.98Å; H660-D684 PolarHBondContact ND1-OD2 2.95Å
661	I	98.1	Very high	91.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.2	-175.9	-64.2	160.2	0	0	0	111.2	V590 F613 I617 V648 F659 T663 L664 L665	V590-I661 HydrophobicContact CB-CG1 3.95Å; V590-I661 HydrophobicContact CG2-CG1 4.07Å; F613-I661 HydrophobicContact CE1-CG2 4.28Å; F613-I661 HydrophobicContact CZ-CG2 4.17Å; I617-I661 HydrophobicContact CD1-CD1 4.27Å; I617-I661 HydrophobicContact CD1-CG2 3.7Å; I617-I661 HydrophobicContact CG1-CD1 4.07Å; I617-I661 HydrophobicContact CG1-CG2 4.41Å; I617-I661 HydrophobicContact CG2-CD1 3.82Å; V648-I661 HydrophobicContact CB-CD1 3.77Å; V648-I661 HydrophobicContact CG2-CD1 3.72Å; F659-I661 VanDerWaalsContact C-N 3.35Å; F659-I661 HydrophobicContact CB-CD1 4.19Å; F659-I661 HydrophobicContact CB-CG1 4Å; F659-I661 PolarHBondContact O-N 2.93Å; I661-T663 WeakPolarHBondContact CG2-OG1 3.28Å; I661-T663 PolarHBondContact O-N 3.17Å; I661-L664 HydrophobicContact CB-CB 4.34Å; I661-L664 HydrophobicContact CB-CD1 4.17Å; I661-L664 HydrophobicContact CB-CG 4.08Å; I661-L664 HydrophobicContact CD1-CD1 3.8Å; I661-L664 HydrophobicContact CG2-CB 4.45Å; I661-L664 HydrophobicContact CG2-CD1 4.28Å; I661-L664 HydrophobicContact CG2-CG 3.87Å; I661-L664 PolarHBondContact O-N 3.05Å; I661-L665 VanDerWaalsContact O-CG 3.32Å; I661-L665 WeakPolarHBondContact O-CG 3.36Å; I661-L665 PolarHBondContact O-N 2.9Å
662	S	97.1	Very high	91	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-40.8	-173.9	65.2	0	0	0	0	113.2	V590 Y592 R677	V590-S662 WeakPolarHBondContact O-CB 3.34Å; V590-S662 PolarHBondContact O-N 2.82Å; Y592-S662 PolarHBondContact N-OG 3.11Å; S662-R677 WeakPolarHBondContact O-CD 3.25Å; S662-R677 PolarHBondContact O-NE 2.79Å; S662-R677 PolarHBondContact O-NH1 3.35Å; S662-R677 PolarHBondContact O-NH2 2.91Å
663	T	96.6	Very high	91.1	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.11	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-36.5	-178.9	54.6	0	0	0	0	112.9	F613 I661 R677	F613-T663 HydrophobicContact CD1-CG2 4.45Å; F613-T663 HydrophobicContact CE1-CG2 3.8Å; I661-T663 WeakPolarHBondContact CG2-OG1 3.28Å; I661-T663 PolarHBondContact O-N 3.17Å; T663-R677 PolarHBondContact O-NH2 3.03Å; T663-R677 VanDerWaalsContact O-NH2 3.1Å
664	L	96.7	Very high	92	Very high	29 Å²	29	44.2 Å²	44.2	15%	0.152	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-24.1	-179.8	-50.9	-174.6	0	0	0	112.8	R623 I661	R623-L664 VanDerWaalsContact NH1-CD2 3.29Å; I661-L664 HydrophobicContact CB-CB 4.34Å; I661-L664 HydrophobicContact CB-CD1 4.17Å; I661-L664 HydrophobicContact CB-CG 4.08Å; I661-L664 HydrophobicContact CD1-CD1 3.8Å; I661-L664 HydrophobicContact CG2-CB 4.45Å; I661-L664 HydrophobicContact CG2-CD1 4.28Å; I661-L664 HydrophobicContact CG2-CG 3.87Å; I661-L664 PolarHBondContact O-N 3.05Å
665	L	96.8	Very high	92.8	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	23%	0.232	C	C	.	.	S	Bend	trans	-70.3	145.4	171.4	-73.2	168.2	0	0	0	111.3	L636 H660 I661 Y667 R677 H680 I681	L636-L665 HydrophobicContact CD2-CD2 3.81Å; H660-L665 HydrophobicContact CB-CD1 4.25Å; I661-L665 VanDerWaalsContact O-CG 3.32Å; I661-L665 WeakPolarHBondContact O-CG 3.36Å; I661-L665 PolarHBondContact O-N 2.9Å; L665-Y667 PolarHBondContact O-N 3.31Å; L665-R677 HydrophobicContact CB-CB 4.44Å; L665-R677 HydrophobicContact CB-CG 3.86Å; L665-R677 PolarHBondContact O-NE 2.93Å; L665-R677 PolarHBondContact O-NH2 3.27Å; L665-H680 HydrophobicContact CD1-CB 3.97Å; L665-H680 HydrophobicContact CD2-CB 4.43Å; L665-I681 HydrophobicContact CD1-CD1 3.97Å; L665-I681 HydrophobicContact CD1-CG1 4.11Å
666	P	94	Very high	93.2	Very high	46 Å²	46	51.1 Å²	51.1	30%	0.299	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-57.7	129.5	-171.3	-26.2	35.2	0	0	0	113.6	R677	P666-R677 WeakPolarHBondContact O-CG 3.38Å; P666-R677 PolarHBondContact O-NE 3.3Å
667	Y	93.7	Very high	93.6	Very high	82 Å²	82	50.1 Å²	50.1	32%	0.322	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-87.5	142.8	170.7	178.5	-113.3	0	0	0	111	N605 E607 L665 T669	N605-Y667 HydrophobicContact CB-CE2 4.33Å; E607-Y667 HydrophobicContact CG-CD1 3.71Å; E607-Y667 HydrophobicContact CG-CD2 3.98Å; E607-Y667 HydrophobicContact CG-CE1 3.57Å; E607-Y667 HydrophobicContact CG-CE2 3.86Å; E607-Y667 HydrophobicContact CG-CG 3.89Å; E607-Y667 WeakPolarHBondContact OE1-CE1 3.44Å; E607-Y667 VanDerWaalsContact OE1-CZ 3.28Å; E607-Y667 PolarHBondContact OE1-OH 2.86Å; L665-Y667 PolarHBondContact O-N 3.31Å; Y667-T669 HydrophobicContact CD1-CG2 4.32Å; Y667-T669 HydrophobicContact CE1-CG2 3.48Å; Y667-T669 VanDerWaalsContact CE1-CG2 3.48Å
668	S	91.3	Very high	93.6	Very high	44 Å²	44	52.9 Å²	52.9	31%	0.308	26%	0.257	S	S	.	.			trans	-138.7	104.1	-179.7	178.2	0	0	0	0	110.8	E670 N671 Q674	S668-E670 PolarHBondContact O-N 2.94Å; S668-N671 CarbonylContact O-C 3.53Å; S668-N671 PolarHBondContact O-N 2.69Å; S668-Q674 PolarHBondContact O-NE2 2.83Å; S668-Q674 PolarHBondContact O-OE1 2.78Å
669	T	88.6	Confident	93.5	Very high	108 Å²	108	58.8 Å²	58.8	66%	0.663	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.5	177.9	49.3	0	0	0	0	113.3	Y667 N671	Y667-T669 HydrophobicContact CD1-CG2 4.32Å; Y667-T669 HydrophobicContact CE1-CG2 3.48Å; Y667-T669 VanDerWaalsContact CE1-CG2 3.48Å; T669-N671 PolarHBondContact O-N 2.84Å
670	E	87.7	Confident	93.3	Very high	187 Å²	187	59.3 Å²	59.3	87%	0.874	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.3	175.8	-59.8	-173.9	171	0	0	113	S668	S668-E670 PolarHBondContact O-N 2.94Å
671	N	89.6	Confident	93.2	Very high	43 Å²	43	59.2 Å²	59.2	23%	0.23	28%	0.281	C	S	.	.			trans	-118.4	83.1	-171.1	-173.2	-4.2	0	0	0	111.1	S668 T669 Q673 Q674 I675	S668-N671 CarbonylContact O-C 3.53Å; S668-N671 PolarHBondContact O-N 2.69Å; T669-N671 PolarHBondContact O-N 2.84Å; N671-Q673 PolarHBondContact O-N 2.86Å; N671-Q673 PolarHBondContact OD1-N 2.71Å; N671-Q674 WeakPolarHBondContact O-CA 3.49Å; N671-Q674 VanDerWaalsContact O-CD 3.29Å; N671-Q674 PolarHBondContact O-N 3.36Å; N671-Q674 PolarHBondContact O-NE2 3.23Å; N671-Q674 PolarHBondContact OD1-N 2.97Å; N671-I675 WeakPolarHBondContact ND2-CB 3.23Å; N671-I675 WeakPolarHBondContact ND2-CG1 3.42Å; N671-I675 PolarHBondContact ND2-N 3.39Å
672	R	87.7	Confident	92.9	Very high	188 Å²	188	59.5 Å²	59.5	71%	0.709	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-26.6	179.2	-68.4	-175.2	177	-173	-2.9	114.5	Q601 N605 Q674	Q601-R672 WeakPolarHBondContact CG-O 3.39Å; N605-R672 PolarHBondContact ND2-O 2.76Å; R672-Q674 VanDerWaalsContact C-N 3.31Å
673	Q	87.9	Confident	92.7	Very high	124 Å²	124	62.7 Å²	62.7	58%	0.579	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.2	177	-67.6	-175.7	-9.8	0	0	113.8	N671 I675	N671-Q673 PolarHBondContact O-N 2.86Å; N671-Q673 PolarHBondContact OD1-N 2.71Å; Q673-I675 VanDerWaalsContact C-N 3.28Å; Q673-I675 HydrophobicContact CB-CG1 4.05Å; Q673-I675 PolarHBondContact O-N 3.39Å
674	Q	93.5	Very high	92.7	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.009	30%	0.296	C	S	.	.			trans	44	51.9	-179.8	-60.2	-58.7	-21.7	0	0	112.6	N605 S668 N671 R672 E676 R677 K678	N605-Q674 PolarHBondContact OD1-NE2 2.81Å; S668-Q674 PolarHBondContact O-NE2 2.83Å; S668-Q674 PolarHBondContact O-OE1 2.78Å; N671-Q674 WeakPolarHBondContact O-CA 3.49Å; N671-Q674 VanDerWaalsContact O-CD 3.29Å; N671-Q674 PolarHBondContact O-N 3.36Å; N671-Q674 PolarHBondContact O-NE2 3.23Å; N671-Q674 PolarHBondContact OD1-N 2.97Å; R672-Q674 VanDerWaalsContact C-N 3.31Å; Q674-E676 PolarHBondContact O-N 3.07Å; Q674-E676 VanDerWaalsContact O-N 3.08Å; Q674-R677 HydrophobicContact CB-CB 4.15Å; Q674-R677 HydrophobicContact CB-CG 4.25Å; Q674-R677 WeakPolarHBondContact O-CA 3.32Å; Q674-R677 WeakPolarHBondContact O-CB 3.26Å; Q674-R677 PolarHBondContact O-N 2.93Å; Q674-K678 PolarHBondContact O-N 3.48Å
675	I	91.9	Very high	92.6	Very high	80 Å²	80	61.2 Å²	61.2	41%	0.41	29%	0.293	S	S	.	.	H	α-helix	trans	-56.5	-33.5	-167.5	-62.9	170	0	0	0	112.2	N671 Q673 R679	N671-I675 WeakPolarHBondContact ND2-CB 3.23Å; N671-I675 WeakPolarHBondContact ND2-CG1 3.42Å; N671-I675 PolarHBondContact ND2-N 3.39Å; Q673-I675 VanDerWaalsContact C-N 3.28Å; Q673-I675 HydrophobicContact CB-CG1 4.05Å; Q673-I675 PolarHBondContact O-N 3.39Å; I675-R679 WeakPolarHBondContact O-CA 3.44Å; I675-R679 WeakPolarHBondContact O-CB 3.36Å; I675-R679 PolarHBondContact O-N 3.15Å
676	E	91.3	Very high	92.6	Very high	88 Å²	88	61 Å²	61	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-42.9	175.6	-65	-51.4	139.2	0	0	112.5	Q674 R679 H680	Q674-E676 PolarHBondContact O-N 3.07Å; Q674-E676 VanDerWaalsContact O-N 3.08Å; E676-R679 PolarHBondContact O-N 3.49Å; E676-R679 IonicContact OE2-NH1 2.67Å; E676-R679 PolarHBondContact OE2-NH1 2.95Å; E676-H680 PolarHBondContact O-CD2 2.98Å; E676-H680 PolarHBondContact O-N 2.92Å
677	R	95.9	Very high	92.8	Very high	3 Å²	3	58.8 Å²	58.8	1%	0.011	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-50.9	172.7	-60.7	-175.8	160.4	-164.7	-16.8	110.5	Y604 N606 S662 T663 L665 P666 Q674 R679 H680 I681	Y604-R677 HydrophobicContact CD1-CB 3.89Å; Y604-R677 HydrophobicContact CE1-CB 4.38Å; Y604-R677 VanDerWaalsContact O-CD 3.27Å; Y604-R677 WeakPolarHBondContact O-CD 3.29Å; Y604-R677 PolarHBondContact O-NH1 2.91Å; N606-R677 PolarHBondContact O-NH1 3.36Å; S662-R677 WeakPolarHBondContact O-CD 3.25Å; S662-R677 PolarHBondContact O-NE 2.79Å; S662-R677 PolarHBondContact O-NH1 3.35Å; S662-R677 PolarHBondContact O-NH2 2.91Å; T663-R677 PolarHBondContact O-NH2 3.03Å; T663-R677 VanDerWaalsContact O-NH2 3.1Å; L665-R677 HydrophobicContact CB-CB 4.44Å; L665-R677 HydrophobicContact CB-CG 3.86Å; L665-R677 PolarHBondContact O-NE 2.93Å; L665-R677 PolarHBondContact O-NH2 3.27Å; P666-R677 WeakPolarHBondContact O-CG 3.38Å; P666-R677 PolarHBondContact O-NE 3.3Å; Q674-R677 HydrophobicContact CB-CB 4.15Å; Q674-R677 HydrophobicContact CB-CG 4.25Å; Q674-R677 WeakPolarHBondContact O-CA 3.32Å; Q674-R677 WeakPolarHBondContact O-CB 3.26Å; Q674-R677 PolarHBondContact O-N 2.93Å; R677-R679 VanDerWaalsContact C-N 3.31Å; R677-R679 PolarHBondContact O-N 2.8Å; R677-H680 PolarHBondContact O-N 2.88Å; R677-I681 PolarHBondContact O-N 3.38Å; R677-I681 VanDerWaalsContact O-N 3.16Å
678	K	93.6	Very high	93	Very high	58 Å²	58	54.9 Å²	54.9	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-25.9	-180	-173.8	165.2	-176.1	171.4	0	113.6	D600 Y604 Q674 H680 G682 R708	D600-K678 IonicContact OD2-NZ 3.24Å; D600-K678 PolarHBondContact OD2-NZ 2.95Å; Y604-K678 HydrophobicContact CD2-CB 4.19Å; Y604-K678 HydrophobicContact CD2-CD 4.28Å; Y604-K678 HydrophobicContact CD2-CG 4.45Å; Y604-K678 HydrophobicContact CE1-CB 4.24Å; Y604-K678 HydrophobicContact CE2-CB 3.78Å; Y604-K678 HydrophobicContact CE2-CD 3.72Å; Y604-K678 HydrophobicContact CE2-CG 3.7Å; Q674-K678 PolarHBondContact O-N 3.48Å; K678-H680 VanDerWaalsContact C-N 3.3Å; K678-H680 PolarHBondContact O-N 3.3Å; K678-G682 WeakPolarHBondContact O-CA 3.47Å; K678-G682 PolarHBondContact O-N 3.24Å; K678-R708 WeakPolarHBondContact CE-O 3.27Å; K678-R708 PolarHBondContact NZ-O 2.78Å
679	R	94	Very high	93.3	Very high	124 Å²	124	52.8 Å²	52.8	47%	0.468	25%	0.247	S	C	.	.	H	α-helix	trans	-73.1	-20.5	175.9	173.2	176.9	160.7	-76.1	-24.1	112.7	I675 E676 R677 N683	I675-R679 WeakPolarHBondContact O-CA 3.44Å; I675-R679 WeakPolarHBondContact O-CB 3.36Å; I675-R679 PolarHBondContact O-N 3.15Å; E676-R679 PolarHBondContact O-N 3.49Å; E676-R679 IonicContact OE2-NH1 2.67Å; E676-R679 PolarHBondContact OE2-NH1 2.95Å; R677-R679 VanDerWaalsContact C-N 3.31Å; R677-R679 PolarHBondContact O-N 2.8Å; R679-N683 PolarHBondContact O-ND2 3.35Å
680	H	94.8	Very high	93.7	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-89.9	-69.5	169.9	-75.3	-97.9	0	0	0	109.7	H660 L665 E676 R677 K678 G682 N683 D684	H660-H680 HydrophobicContact CB-CB 4.27Å; H660-H680 AromaticContact CE1-ND1 3.95Å; H660-H680 AromaticContact NE2-ND1 3.69Å; L665-H680 HydrophobicContact CD1-CB 3.97Å; L665-H680 HydrophobicContact CD2-CB 4.43Å; E676-H680 PolarHBondContact O-CD2 2.98Å; E676-H680 PolarHBondContact O-N 2.92Å; R677-H680 PolarHBondContact O-N 2.88Å; K678-H680 VanDerWaalsContact C-N 3.3Å; K678-H680 PolarHBondContact O-N 3.3Å; H680-G682 VanDerWaalsContact C-N 3.35Å; H680-G682 PolarHBondContact O-N 3.37Å; H680-N683 PolarHBondContact O-N 3.35Å; H680-D684 PolarHBondContact O-N 2.96Å
681	I	96	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-40.9	-175	-65.5	166.4	0	0	0	112.8	Y604 H660 L665 R677 N683 D684 N687	Y604-I681 HydrophobicContact CE1-CB 3.97Å; Y604-I681 HydrophobicContact CE1-CD1 3.92Å; Y604-I681 HydrophobicContact CE1-CG2 4.07Å; Y604-I681 WeakPolarHBondContact OH-CG2 3.48Å; H660-I681 HydrophobicContact CB-CG1 4.01Å; H660-I681 VanDerWaalsContact O-CD1 3.32Å; H660-I681 WeakPolarHBondContact O-CD1 3.32Å; H660-I681 WeakPolarHBondContact O-CG1 3.38Å; L665-I681 HydrophobicContact CD1-CD1 3.97Å; L665-I681 HydrophobicContact CD1-CG1 4.11Å; R677-I681 PolarHBondContact O-N 3.38Å; R677-I681 VanDerWaalsContact O-N 3.16Å; I681-N683 PolarHBondContact O-N 3.02Å; I681-D684 WeakPolarHBondContact CA-OD2 3.22Å; I681-D684 PolarHBondContact O-N 2.96Å; I681-N687 PolarHBondContact O-ND2 2.81Å; I681-N687 PolarHBondContact O-OD1 2.76Å
682	G	92.2	Very high	94.3	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.8	178.8	0	0	0	0	0	115.2	K678 H680 T709	K678-G682 WeakPolarHBondContact O-CA 3.47Å; K678-G682 PolarHBondContact O-N 3.24Å; H680-G682 VanDerWaalsContact C-N 3.35Å; H680-G682 PolarHBondContact O-N 3.37Å; G682-T709 PolarHBondContact O-OG1 2.86Å
683	N	93.6	Very high	94.4	Very high	67 Å²	67	31.9 Å²	31.9	36%	0.358	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	10.3	174.2	-72.7	-49.7	0	0	0	112.6	K587 R679 H680 I681 F711	K587-N683 PolarHBondContact NZ-O 2.98Å; R679-N683 PolarHBondContact O-ND2 3.35Å; H680-N683 PolarHBondContact O-N 3.35Å; I681-N683 PolarHBondContact O-N 3.02Å; N683-F711 WeakPolarHBondContact OD1-CD2 3.34Å; N683-F711 WeakPolarHBondContact OD1-CE2 3.5Å
684	D	95.5	Very high	94.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.			trans	-92	149.9	170.6	-61.1	-38.7	0	0	0	110.1	K587 G589 H660 H680 I681 F711 T712	K587-D684 WeakPolarHBondContact CG-OD1 3.46Å; K587-D684 IonicContact NZ-OD1 2.63Å; K587-D684 PolarHBondContact NZ-OD1 3.43Å; G589-D684 PolarHBondContact N-OD2 2.88Å; H660-D684 IonicContact CE1-OD1 2.7Å; H660-D684 IonicContact CE1-OD2 2.76Å; H660-D684 IonicContact CG-OD2 3.61Å; H660-D684 VanDerWaalsContact ND1-CG 3.34Å; H660-D684 IonicContact ND1-OD1 2.98Å; H660-D684 PolarHBondContact ND1-OD1 2.94Å; H660-D684 VanDerWaalsContact ND1-OD1 3.15Å; H660-D684 IonicContact ND1-OD2 3.98Å; H660-D684 PolarHBondContact ND1-OD2 2.95Å; H680-D684 PolarHBondContact O-N 2.96Å; I681-D684 WeakPolarHBondContact CA-OD2 3.22Å; I681-D684 PolarHBondContact O-N 2.96Å; D684-F711 CarbonylContact O-C 3.58Å; D684-T712 VanDerWaalsContact O-CA 3.26Å; D684-T712 WeakPolarHBondContact O-CA 3.41Å; D684-T712 PolarHBondContact O-N 3.13Å; D684-T712 VanDerWaalsContact O-N 3.16Å; D684-T712 PolarHBondContact O-OG1 2.8Å
685	I	94.5	Very high	94	Very high	16 Å²	16	29.4 Å²	29.4	8%	0.082	16%	0.16	C	C	.	.	S	Bend	trans	-83.6	-31.4	-174	-59	-179.6	0	0	0	111	T712 H713 I714 E768 A771 F772 F777	I685-T712 CarbonylContact O-C 3.53Å; I685-T712 WeakPolarHBondContact O-CA 3.33Å; I685-H713 PolarHBondContact O-N 3.05Å; I685-I714 PolarHBondContact O-N 3.11Å; I685-E768 HydrophobicContact CB-CG 4.08Å; I685-E768 HydrophobicContact CD1-CG 4Å; I685-E768 HydrophobicContact CG2-CG 4.21Å; I685-A771 HydrophobicContact CG2-CB 3.61Å; I685-F772 HydrophobicContact CD1-CE1 4.24Å; I685-F772 HydrophobicContact CD1-CE2 4.37Å; I685-F772 HydrophobicContact CD1-CZ 3.97Å; I685-F777 HydrophobicContact CD1-CE1 3.89Å; I685-F777 HydrophobicContact CD1-CE2 4.23Å; I685-F777 HydrophobicContact CD1-CZ 3.66Å; I685-F777 HydrophobicContact CG1-CE1 4.37Å; I685-F777 HydrophobicContact CG1-CE2 4.48Å; I685-F777 HydrophobicContact CG1-CZ 3.81Å; I685-F777 HydrophobicContact CG2-CE2 4.16Å; I685-F777 HydrophobicContact CG2-CZ 4.28Å
686	V	97	Very high	93.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.1	179	-167.7	0	0	0	0	108.5	F588 G589 I714 L764 E768	F588-V686 WeakPolarHBondContact CA-O 3.26Å; F588-V686 HydrophobicContact CD1-CB 3.9Å; F588-V686 HydrophobicContact CD1-CG2 4.49Å; F588-V686 HydrophobicContact CE1-CB 4.18Å; F588-V686 HydrophobicContact CE1-CG2 4.32Å; G589-V686 PolarHBondContact N-O 3.48Å; V686-I714 WeakPolarHBondContact CA-O 3.47Å; V686-I714 HydrophobicContact CB-CB 4.49Å; V686-I714 HydrophobicContact CG1-CB 4Å; V686-I714 HydrophobicContact CG1-CG2 3.91Å; V686-I714 HydrophobicContact CG2-CB 4.21Å; V686-I714 HydrophobicContact CG2-CD1 4.21Å; V686-L764 HydrophobicContact CB-CD2 4.5Å; V686-L764 HydrophobicContact CG1-CD2 3.4Å; V686-E768 HydrophobicContact CG2-CB 3.89Å
687	N	97.8	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.6	179.9	-78.5	-30	0	0	0	111.1	G589 I681 T712 I714 F715 A716	G589-N687 WeakPolarHBondContact CA-OD1 3.48Å; G589-N687 PolarHBondContact N-OD1 2.77Å; I681-N687 PolarHBondContact O-ND2 2.81Å; I681-N687 PolarHBondContact O-OD1 2.76Å; N687-T712 HydrophobicContact CB-CG2 3.84Å; N687-T712 WeakPolarHBondContact ND2-CG2 3.26Å; N687-T712 PolarHBondContact ND2-OG1 3.23Å; N687-I714 PolarHBondContact N-O 2.96Å; N687-I714 VanDerWaalsContact N-O 3.08Å; N687-F715 HydrophobicContact CB-CD1 4.08Å; N687-F715 HydrophobicContact CB-CE1 4.34Å; N687-F715 CarbonylContact O-C 3.56Å; N687-F715 WeakPolarHBondContact O-CA 3.36Å; N687-A716 PolarHBondContact O-N 3.17Å
688	I	98.3	Very high	91.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.7	169.4	-49.6	-179.9	0	0	0	108.2	G589 V590 L591 F616 L620 F659 A716 V718 L760 L764	G589-I688 PolarHBondContact O-N 3.22Å; V590-I688 WeakPolarHBondContact CA-O 3.16Å; V590-I688 HydrophobicContact CG1-CB 4.35Å; V590-I688 HydrophobicContact CG2-CB 4.37Å; V590-I688 HydrophobicContact CG2-CD1 4.14Å; V590-I688 HydrophobicContact CG2-CG1 4.5Å; L591-I688 PolarHBondContact N-O 3.49Å; F616-I688 HydrophobicContact CE1-CG2 3.96Å; F616-I688 HydrophobicContact CZ-CD1 4.33Å; F616-I688 HydrophobicContact CZ-CG2 3.84Å; L620-I688 HydrophobicContact CD1-CD1 4.13Å; L620-I688 HydrophobicContact CD2-CD1 4.16Å; F659-I688 HydrophobicContact CD1-CD1 4.49Å; F659-I688 HydrophobicContact CE1-CD1 4.07Å; I688-A716 CarbonylContact C-O 3.45Å; I688-A716 VanDerWaalsContact CA-O 3.32Å; I688-A716 WeakPolarHBondContact CA-O 3.38Å; I688-V718 HydrophobicContact CG2-CG2 3.89Å; I688-L760 HydrophobicContact CD1-CD2 4.4Å; I688-L764 HydrophobicContact CD1-CD1 3.72Å; I688-L764 HydrophobicContact CG1-CD1 4.08Å; I688-L764 HydrophobicContact CG1-CD2 4.15Å
689	I	97.4	Very high	91.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.5	172.5	-46.7	-60.8	0	0	0	107.1	L591 C593 V691 W702 M707 F715 A716 V717 V718	L591-I689 HydrophobicContact CB-CD1 3.99Å; L591-I689 HydrophobicContact CD2-CD1 4.19Å; C593-I689 HydrophobicContact CB-CG2 4.07Å; I689-V691 HydrophobicContact CG2-CG2 3.87Å; I689-W702 HydrophobicContact CD1-CZ2 3.96Å; I689-W702 HydrophobicContact CG1-CD2 4.41Å; I689-W702 HydrophobicContact CG1-CH2 3.95Å; I689-W702 HydrophobicContact CG1-CZ2 3.66Å; I689-W702 HydrophobicContact CG1-CZ3 4.42Å; I689-W702 HydrophobicContact CG2-CD2 4.05Å; I689-W702 HydrophobicContact CG2-CG 4.07Å; I689-M707 HydrophobicContact CD1-SD 3.71Å; I689-F715 HydrophobicContact CD1-CD1 4.05Å; I689-F715 HydrophobicContact CD1-CE1 4.49Å; I689-F715 HydrophobicContact CG1-CD1 4.09Å; I689-A716 PolarHBondContact N-O 2.85Å; I689-V717 HydrophobicContact CB-CG2 4.34Å; I689-V717 CarbonylContact O-C 3.58Å; I689-V717 WeakPolarHBondContact O-CA 3.42Å; I689-V718 PolarHBondContact O-N 2.89Å
690	F	97.7	Very high	91.2	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.6	172.4	-170.9	-86.1	0	0	0	108.1	L591 Y592 C593 Q612 F613 F616 D692 V718 Y727	L591-F690 PolarHBondContact O-N 3.03Å; Y592-F690 HydrophobicContact CD2-CD1 4.05Å; Y592-F690 HydrophobicContact CE2-CD1 4.24Å; C593-F690 PolarHBondContact N-O 3.05Å; Q612-F690 HydrophobicContact CB-CE1 4.41Å; Q612-F690 HydrophobicContact CB-CZ 4.08Å; F613-F690 HydrophobicContact CB-CD1 4.1Å; F613-F690 HydrophobicContact CB-CE1 4.05Å; F613-F690 HydrophobicContact CD2-CB 3.61Å; F613-F690 AromaticContact CD2-CD1 3.66Å; F613-F690 HydrophobicContact CD2-CD1 3.66Å; F613-F690 HydrophobicContact CD2-CD2 4.22Å; F613-F690 HydrophobicContact CD2-CE1 4.36Å; F613-F690 AromaticContact CD2-CG 3.57Å; F613-F690 HydrophobicContact CD2-CG 3.57Å; F613-F690 HydrophobicContact CE2-CB 3.71Å; F613-F690 HydrophobicContact CE2-CG 4.19Å; F613-F690 HydrophobicContact CG-CD1 4.33Å; F616-F690 HydrophobicContact CB-CD2 4.02Å; F616-F690 HydrophobicContact CB-CE2 3.67Å; F616-F690 HydrophobicContact CB-CZ 4.46Å; F616-F690 AromaticContact CD1-CD2 3.51Å; F616-F690 HydrophobicContact CD1-CD2 3.51Å; F616-F690 HydrophobicContact CD1-CE2 4.07Å; F616-F690 HydrophobicContact CD1-CG 4.3Å; F616-F690 HydrophobicContact CD2-CD2 4.4Å; F616-F690 HydrophobicContact CD2-CE2 4.42Å; F616-F690 HydrophobicContact CE1-CD2 4.07Å; F616-F690 AromaticContact CG-CD2 3.7Å; F616-F690 HydrophobicContact CG-CD2 3.7Å; F616-F690 AromaticContact CG-CE2 3.78Å; F616-F690 HydrophobicContact CG-CE2 3.78Å; F690-D692 HydrophobicContact CD1-CB 4.14Å; F690-D692 HydrophobicContact CE1-CB 3.92Å; F690-V718 WeakPolarHBondContact CA-O 3.24Å; F690-V718 HydrophobicContact CD2-CB 4.23Å; F690-V718 HydrophobicContact CD2-CG1 3.93Å; F690-V718 HydrophobicContact CE2-CG1 4.16Å; F690-Y727 HydrophobicContact CE2-CE1 4.38Å
691	V	96.2	Very high	90.9	Very high	2 Å²	2	32 Å²	32	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.1	178.5	-173.7	0	0	0	0	109.1	C593 E595 I689 P700 W702 V717 V718 T719	C593-V691 HydrophobicContact CB-CG2 4.16Å; C593-V691 WeakPolarHBondContact O-CA 3.38Å; E595-V691 WeakPolarHBondContact OE2-CG1 3.08Å; I689-V691 HydrophobicContact CG2-CG2 3.87Å; V691-P700 HydrophobicContact CB-CB 4Å; V691-P700 HydrophobicContact CG1-CB 3.77Å; V691-P700 HydrophobicContact CG2-CB 4.2Å; V691-W702 HydrophobicContact CG2-CB 3.81Å; V691-W702 HydrophobicContact CG2-CG 4.29Å; V691-V717 HydrophobicContact CG2-CG1 3.86Å; V691-V718 PolarHBondContact N-O 3.1Å; V691-T719 HydrophobicContact CB-CG2 4.13Å
692	D	94.4	Very high	90.7	Very high	30 Å²	30	32.3 Å²	32.3	16%	0.16	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.7	-172.3	-167.2	16	0	0	0	112.4	Y592 C593 E595 S610 F690 C694	Y592-D692 HydrophobicContact CE2-CB 3.65Å; Y592-D692 PolarHBondContact OH-OD2 2.86Å; C593-D692 PolarHBondContact O-N 2.97Å; E595-D692 WeakPolarHBondContact CB-O 3.48Å; E595-D692 PolarHBondContact N-O 3.27Å; S610-D692 WeakPolarHBondContact CB-OD2 3.29Å; S610-D692 PolarHBondContact OG-OD2 2.8Å; F690-D692 HydrophobicContact CD1-CB 4.14Å; F690-D692 HydrophobicContact CE1-CB 3.92Å; D692-C694 VanDerWaalsContact C-N 3.33Å
693	G	89.5	Confident	90.6	Very high	56 Å²	56	33.9 Å²	33.9	58%	0.577	22%	0.217	S	C	*	.	S	Bend	trans	81.6	4.1	-172	0	0	0	0	0	115.2
694	C	88.1	Confident	90.5	Very high	23 Å²	23	31.1 Å²	31.1	16%	0.155	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-61.1	125.4	172.8	179.8	0	0	0	0	110.5	E595 D692 T719	E595-C694 WeakPolarHBondContact OE2-CB 3.42Å; D692-C694 VanDerWaalsContact C-N 3.33Å; C694-T719 HydrophobicContact CB-CG2 3.95Å
695	P	83.6	Confident	90.2	Very high	50 Å²	50	33.9 Å²	33.9	33%	0.325	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-65.6	148	-177.3	-23.1	33.9	0	0	0	113.9	G697 Q698	P695-G697 PolarHBondContact O-N 2.92Å; P695-Q698 HydrophobicContact CB-CB 4.41Å; P695-Q698 HydrophobicContact CB-CG 4.12Å; P695-Q698 PolarHBondContact O-N 2.84Å; P695-Q698 VanDerWaalsContact O-N 3.1Å
696	P	78.9	Confident	90	Very high	74 Å²	74	34.4 Å²	34.4	48%	0.481	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	133.9	172.9	-31.3	37.4	0	0	0	113.1	Q698 D721	P696-Q698 PolarHBondContact O-N 3.04Å; P696-D721 WeakPolarHBondContact CB-OD2 3.34Å
697	G	76.1	Confident	89.6	Confident	64 Å²	64	34.9 Å²	34.9	66%	0.66	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	-5.8	-179.5	0	0	0	0	0	116.9	P695	P695-G697 PolarHBondContact O-N 2.92Å
698	Q	81.6	Confident	89	Confident	115 Å²	115	44.2 Å²	44.2	54%	0.537	26%	0.262	S	S	.	.	S	Bend	trans	-93.1	161.7	176.9	-59.4	-172.1	23.7	0	0	111.9	P695 P696 R728	P695-Q698 HydrophobicContact CB-CB 4.41Å; P695-Q698 HydrophobicContact CB-CG 4.12Å; P695-Q698 PolarHBondContact O-N 2.84Å; P695-Q698 VanDerWaalsContact O-N 3.1Å; P696-Q698 PolarHBondContact O-N 3.04Å; Q698-R728 PolarHBondContact O-NH1 2.89Å
699	Q	83.6	Confident	88.3	Confident	96 Å²	96	45.4 Å²	45.4	45%	0.449	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-87.7	145	167.4	-67.6	-70.5	7.4	0	0	109.3	N730	Q699-N730 PolarHBondContact OE1-ND2 2.98Å
700	P	88.9	Confident	87.6	Confident	16 Å²	16	53.8 Å²	53.8	10%	0.104	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-65.6	147.6	176.7	27.9	-34.4	0	0	0	111	V691 W702 V717 T719	V691-P700 HydrophobicContact CB-CB 4Å; V691-P700 HydrophobicContact CG1-CB 3.77Å; V691-P700 HydrophobicContact CG2-CB 4.2Å; P700-W702 PolarHBondContact O-N 2.84Å; P700-V717 HydrophobicContact CG-CG1 3.92Å; P700-T719 HydrophobicContact CB-CG2 4.02Å; P700-T719 HydrophobicContact CG-CG2 3.98Å
701	S	88.6	Confident	86.9	Confident	53 Å²	53	58 Å²	58	37%	0.371	33%	0.327	S	S	.	.	S	Bend	trans	-69.7	-11.4	177.5	57.5	0	0	0	0	114.7	E595 G596 M706	E595-S701 WeakPolarHBondContact OE1-CB 3.41Å; E595-S701 PolarHBondContact OE1-N 3.23Å; E595-S701 PolarHBondContact OE1-OG 2.86Å; G596-S701 PolarHBondContact N-OG 2.85Å; S701-M706 WeakPolarHBondContact O-CE 3.42Å
702	W	92.4	Very high	86.7	Confident	7 Å²	7	58 Å²	58	3%	0.027	33%	0.327	C	S	.	.			trans	-66.8	134.6	-175.8	-174.2	95.9	0	0	0	113.1	M603 I689 V691 P700 P704 M706 M707 F715 V717 F732	M603-W702 PolarHBondContact SD-NE1 2.83Å; M603-W702 VanDerWaalsContact SD-NE1 3.36Å; I689-W702 HydrophobicContact CD1-CZ2 3.96Å; I689-W702 HydrophobicContact CG1-CD2 4.41Å; I689-W702 HydrophobicContact CG1-CH2 3.95Å; I689-W702 HydrophobicContact CG1-CZ2 3.66Å; I689-W702 HydrophobicContact CG1-CZ3 4.42Å; I689-W702 HydrophobicContact CG2-CD2 4.05Å; I689-W702 HydrophobicContact CG2-CG 4.07Å; V691-W702 HydrophobicContact CG2-CB 3.81Å; V691-W702 HydrophobicContact CG2-CG 4.29Å; P700-W702 PolarHBondContact O-N 2.84Å; W702-P704 HydrophobicContact CH2-CB 4.33Å; W702-P704 HydrophobicContact CH2-CG 4.19Å; W702-P704 HydrophobicContact CZ3-CG 4.02Å; W702-M706 HydrophobicContact CB-SD 4.46Å; W702-M706 HydrophobicContact CG-SD 4.28Å; W702-M707 HydrophobicContact CZ2-CB 4.37Å; W702-M707 HydrophobicContact CZ2-CG 3.93Å; W702-M707 HydrophobicContact CZ2-SD 4.36Å; W702-F715 HydrophobicContact CH2-CB 3.78Å; W702-F715 AromaticContact CH2-CD1 3.6Å; W702-F715 HydrophobicContact CH2-CD1 3.6Å; W702-F715 AromaticContact CH2-CD2 3.98Å; W702-F715 HydrophobicContact CH2-CD2 3.98Å; W702-F715 HydrophobicContact CH2-CE1 4.08Å; W702-F715 HydrophobicContact CH2-CE2 4.42Å; W702-F715 AromaticContact CH2-CG 3.53Å; W702-F715 HydrophobicContact CH2-CG 3.53Å; W702-F715 HydrophobicContact CH2-CZ 4.46Å; W702-F715 AromaticContact CZ2-CD1 3.98Å; W702-F715 HydrophobicContact CZ2-CD1 3.98Å; W702-F715 HydrophobicContact CZ2-CE1 4.16Å; W702-F715 HydrophobicContact CZ2-CG 4.37Å; W702-F715 HydrophobicContact CZ3-CB 4.14Å; W702-F715 HydrophobicContact CZ3-CG 4.34Å; W702-V717 HydrophobicContact CD2-CG2 4.38Å; W702-V717 HydrophobicContact CE3-CG2 3.43Å; W702-V717 VanDerWaalsContact CE3-CG2 3.43Å; W702-V717 HydrophobicContact CH2-CG2 4.46Å; W702-V717 HydrophobicContact CZ3-CG2 3.49Å; W702-V717 VanDerWaalsContact CZ3-CG2 3.49Å; W702-F732 HydrophobicContact CZ3-CD2 4.3Å
703	T	90.2	Very high	86.7	Confident	42 Å²	42	56.8 Å²	56.8	26%	0.258	32%	0.32	S	S	.	.			trans	-130.3	154.7	174.6	61	0	0	0	0	112.2	S705 M706	T703-S705 PolarHBondContact O-N 3.48Å; T703-S705 VanDerWaalsContact O-N 3.15Å; T703-S705 PolarHBondContact OG1-OG 3.43Å; T703-M706 WeakPolarHBondContact O-CB 3.42Å; T703-M706 WeakPolarHBondContact O-CG 3.47Å; T703-M706 PolarHBondContact O-N 2.84Å
704	P	90.1	Very high	86.9	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.052	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-52.7	-35.3	177.6	-30	37.2	0	0	0	114.9	Y444 W702 M706 M707 F715 F732	Y444-P704 HydrophobicContact CD1-CB 4.09Å; Y444-P704 HydrophobicContact CD1-CG 4.29Å; Y444-P704 HydrophobicContact CD2-CB 3.89Å; Y444-P704 HydrophobicContact CE2-CB 4.35Å; Y444-P704 HydrophobicContact CG-CB 3.76Å; Y444-P704 HydrophobicContact CG-CG 4.08Å; W702-P704 HydrophobicContact CH2-CB 4.33Å; W702-P704 HydrophobicContact CH2-CG 4.19Å; W702-P704 HydrophobicContact CZ3-CG 4.02Å; P704-M706 PolarHBondContact O-N 3.05Å; P704-M706 VanDerWaalsContact O-N 3.15Å; P704-M707 PolarHBondContact O-N 2.81Å; P704-F715 HydrophobicContact CB-CD2 4.1Å; P704-F715 HydrophobicContact CB-CE2 3.99Å; P704-F715 HydrophobicContact CG-CD2 4.33Å; P704-F732 HydrophobicContact CG-CB 3.91Å; P704-F732 HydrophobicContact CG-CD1 3.95Å; P704-F732 HydrophobicContact CG-CG 3.88Å
705	S	88.9	Confident	87.3	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59	-22.2	176.6	35.4	0	0	0	0	115.1	D441 T703 M707	D441-S705 VanDerWaalsContact CG-CB 3.41Å; D441-S705 VanDerWaalsContact OD1-CB 3.32Å; D441-S705 WeakPolarHBondContact OD1-CB 3.41Å; D441-S705 PolarHBondContact OD1-OG 3Å; D441-S705 WeakPolarHBondContact OD2-CB 3.39Å; D441-S705 PolarHBondContact OD2-OG 2.97Å; T703-S705 PolarHBondContact O-N 3.48Å; T703-S705 VanDerWaalsContact O-N 3.15Å; T703-S705 PolarHBondContact OG1-OG 3.43Å; S705-M707 PolarHBondContact O-N 2.81Å
706	M	90.9	Very high	88	Confident	28 Å²	28	50.7 Å²	50.7	14%	0.138	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-67.8	-19	173.9	-57.3	-175.8	179.8	0	0	112.3	T598 D600 M603 S701 W702 T703 P704	T598-M706 HydrophobicContact CG2-CE 4.2Å; T598-M706 WeakPolarHBondContact O-CG 3.28Å; D600-M706 WeakPolarHBondContact CB-O 3.4Å; D600-M706 PolarHBondContact N-O 3.15Å; M603-M706 HydrophobicContact CE-CB 3.73Å; S701-M706 WeakPolarHBondContact O-CE 3.42Å; W702-M706 HydrophobicContact CB-SD 4.46Å; W702-M706 HydrophobicContact CG-SD 4.28Å; T703-M706 WeakPolarHBondContact O-CB 3.42Å; T703-M706 WeakPolarHBondContact O-CG 3.47Å; T703-M706 PolarHBondContact O-N 2.84Å; P704-M706 PolarHBondContact O-N 3.05Å; P704-M706 VanDerWaalsContact O-N 3.15Å
707	M	89.1	Confident	88.8	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.049	25%	0.248	C	C	.	.			trans	-111.9	108	-177	-80.6	-145.9	74	0	0	114.4	L591 D600 M603 Y604 I689 W702 P704 S705 T709 F715	L591-M707 HydrophobicContact CD2-CE 3.79Å; L591-M707 HydrophobicContact CD2-CG 4.47Å; L591-M707 HydrophobicContact CD2-SD 3.48Å; L591-M707 WeakPolarHBondContact CD2-SD 3.23Å; D600-M707 HydrophobicContact CB-CG 4.45Å; M603-M707 HydrophobicContact CE-CG 4.26Å; Y604-M707 HydrophobicContact CE2-CE 3.97Å; Y604-M707 WeakPolarHBondContact OH-CE 3.41Å; I689-M707 HydrophobicContact CD1-SD 3.71Å; W702-M707 HydrophobicContact CZ2-CB 4.37Å; W702-M707 HydrophobicContact CZ2-CG 3.93Å; W702-M707 HydrophobicContact CZ2-SD 4.36Å; P704-M707 PolarHBondContact O-N 2.81Å; S705-M707 PolarHBondContact O-N 2.81Å; M707-T709 PolarHBondContact O-N 3.36Å; M707-F715 HydrophobicContact CB-CE1 4.01Å; M707-F715 HydrophobicContact CB-CZ 3.95Å; M707-F715 HydrophobicContact CG-CE1 4.36Å; M707-F715 HydrophobicContact SD-CE1 3.8Å
708	R	84	Confident	89.8	Confident	197 Å²	197	44.2 Å²	44.2	74%	0.743	22%	0.216	S	C	*	.			trans	-85	97.1	178	-65.1	178.1	-178.3	159.5	3.2	111.8	K678	K678-R708 WeakPolarHBondContact CE-O 3.27Å; K678-R708 PolarHBondContact NZ-O 2.78Å
709	T	85.1	Confident	90.4	Very high	25 Å²	25	39.3 Å²	39.3	15%	0.153	19%	0.194	C	C	.	.			trans	-135	162.3	-179.3	179.7	0	0	0	0	111.5	G682 M707 F711 T712 F715	G682-T709 PolarHBondContact O-OG1 2.86Å; M707-T709 PolarHBondContact O-N 3.36Å; T709-F711 PolarHBondContact OG1-N 2.84Å; T709-T712 WeakPolarHBondContact CB-OG1 3.48Å; T709-T712 VanDerWaalsContact CG2-OG1 3.25Å; T709-T712 WeakPolarHBondContact CG2-OG1 3.32Å; T709-T712 PolarHBondContact OG1-N 2.91Å; T709-T712 PolarHBondContact OG1-OG1 2.75Å; T709-F715 HydrophobicContact CG2-CZ 3.94Å
710	H	81.2	Confident	91	Very high	175 Å²	175	36.3 Å²	36.3	81%	0.81	18%	0.179	S	C	*	.	S	Bend	trans	-130.5	7	176.7	-68.2	-39.3	0	0	0	112.6
711	F	84.6	Confident	91.1	Very high	90 Å²	90	37.1 Å²	37.1	40%	0.395	18%	0.182	S	C	.	.	S	Bend	trans	-126.3	-35.7	-176	-68.3	-83.4	0	0	0	111.8	N683 D684 T709 H713	N683-F711 WeakPolarHBondContact OD1-CD2 3.34Å; N683-F711 WeakPolarHBondContact OD1-CE2 3.5Å; D684-F711 CarbonylContact O-C 3.58Å; T709-F711 PolarHBondContact OG1-N 2.84Å; F711-H713 PolarHBondContact O-N 2.9Å; F711-H713 PolarHBondContact O-ND1 3Å
712	T	92.1	Very high	91	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	19%	0.189	C	C	.	.			trans	-64.6	127.8	169.7	-31.6	0	0	0	0	108.9	Y444 D684 I685 N687 T709 I714 F715	Y444-T712 PolarHBondContact OH-O 2.67Å; D684-T712 VanDerWaalsContact O-CA 3.26Å; D684-T712 WeakPolarHBondContact O-CA 3.41Å; D684-T712 PolarHBondContact O-N 3.13Å; D684-T712 VanDerWaalsContact O-N 3.16Å; D684-T712 PolarHBondContact O-OG1 2.8Å; I685-T712 CarbonylContact O-C 3.53Å; I685-T712 WeakPolarHBondContact O-CA 3.33Å; N687-T712 HydrophobicContact CB-CG2 3.84Å; N687-T712 WeakPolarHBondContact ND2-CG2 3.26Å; N687-T712 PolarHBondContact ND2-OG1 3.23Å; T709-T712 WeakPolarHBondContact CB-OG1 3.48Å; T709-T712 VanDerWaalsContact CG2-OG1 3.25Å; T709-T712 WeakPolarHBondContact CG2-OG1 3.32Å; T709-T712 PolarHBondContact OG1-N 2.91Å; T709-T712 PolarHBondContact OG1-OG1 2.75Å; T712-I714 VanDerWaalsContact CG2-O 3.3Å; T712-I714 WeakPolarHBondContact CG2-O 3.32Å; T712-F715 HydrophobicContact CG2-CD1 4.12Å; T712-F715 HydrophobicContact CG2-CE1 3.82Å; T712-F715 HydrophobicContact CG2-CE2 4.38Å; T712-F715 HydrophobicContact CG2-CZ 3.97Å
713	H	92.6	Very high	90.7	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.014	23%	0.226	C	C	.	.			trans	-117.4	-10.4	171.6	-66.1	44.7	0	0	0	111.3	I685 F711 A733 E734 V737 A771 S774 F777	I685-H713 PolarHBondContact O-N 3.05Å; F711-H713 PolarHBondContact O-N 2.9Å; F711-H713 PolarHBondContact O-ND1 3Å; H713-A733 WeakPolarHBondContact O-CA 3.36Å; H713-E734 HydrophobicContact CB-CB 4.41Å; H713-E734 IonicContact CD2-OE2 3.92Å; H713-E734 PolarHBondContact CD2-OE2 2.82Å; H713-E734 IonicContact CG-OE2 3.27Å; H713-E734 IonicContact NE2-OE2 2.87Å; H713-E734 PolarHBondContact O-N 3.41Å; H713-V737 HydrophobicContact CB-CG2 3.82Å; H713-A771 HydrophobicContact CB-CB 4.28Å; H713-S774 PolarHBondContact NE2-OG 2.64Å; H713-F777 AromaticContact CD2-CE2 3.87Å; H713-F777 AromaticContact CE1-CE2 3.18Å; H713-F777 WeakPolarHBondContact CE1-CE2 3.41Å; H713-F777 AromaticContact CE1-CZ 3.63Å; H713-F777 AromaticContact CG-CE2 3.97Å; H713-F777 AromaticContact ND1-CE2 3.54Å; H713-F777 AromaticContact ND1-CZ 3.99Å; H713-F777 AromaticContact NE2-CD2 3.75Å; H713-F777 AromaticContact NE2-CE2 3.32Å; H713-F777 VanDerWaalsContact NE2-CE2 3.32Å; H713-F777 WeakPolarHBondContact NE2-CE2 3.36Å
714	I	95.5	Very high	90.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.5	-177.1	-56.9	170.4	0	0	0	109.8	I685 V686 N687 T712 I731 F732 A733 V737 F740 G767 A771	I685-I714 PolarHBondContact O-N 3.11Å; V686-I714 WeakPolarHBondContact CA-O 3.47Å; V686-I714 HydrophobicContact CB-CB 4.49Å; V686-I714 HydrophobicContact CG1-CB 4Å; V686-I714 HydrophobicContact CG1-CG2 3.91Å; V686-I714 HydrophobicContact CG2-CB 4.21Å; V686-I714 HydrophobicContact CG2-CD1 4.21Å; N687-I714 PolarHBondContact N-O 2.96Å; N687-I714 VanDerWaalsContact N-O 3.08Å; T712-I714 VanDerWaalsContact CG2-O 3.3Å; T712-I714 WeakPolarHBondContact CG2-O 3.32Å; I714-I731 HydrophobicContact CG2-CG2 4.15Å; I714-F732 CarbonylContact C-O 3.58Å; I714-F732 VanDerWaalsContact CA-O 3.31Å; I714-F732 WeakPolarHBondContact CA-O 3.3Å; I714-A733 HydrophobicContact CG1-CB 4.3Å; I714-V737 HydrophobicContact CD1-CG1 4.09Å; I714-V737 HydrophobicContact CG1-CG1 4.36Å; I714-F740 HydrophobicContact CD1-CE1 3.76Å; I714-F740 HydrophobicContact CD1-CZ 3.75Å; I714-F740 HydrophobicContact CG1-CE1 4.43Å; I714-F740 HydrophobicContact CG1-CZ 4.41Å; I714-F740 HydrophobicContact CG2-CZ 4.04Å; I714-G767 VanDerWaalsContact CD1-CA 3.43Å; I714-G767 WeakPolarHBondContact CD1-O 3.49Å; I714-A771 HydrophobicContact CD1-CB 4.22Å
715	F	96.6	Very high	90.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134	171.2	-62.6	-84.9	0	0	0	110.5	Y444 N687 I689 W702 P704 M707 T709 T712 I731 F732	Y444-F715 HydrophobicContact CD1-CD2 4.27Å; Y444-F715 HydrophobicContact CD1-CE2 4.39Å; Y444-F715 AromaticContact CE1-CD2 3.82Å; Y444-F715 HydrophobicContact CE1-CD2 3.82Å; Y444-F715 AromaticContact CE1-CE2 3.64Å; Y444-F715 HydrophobicContact CE1-CE2 3.64Å; Y444-F715 AromaticContact CZ-CE2 3.81Å; N687-F715 HydrophobicContact CB-CD1 4.08Å; N687-F715 HydrophobicContact CB-CE1 4.34Å; N687-F715 CarbonylContact O-C 3.56Å; N687-F715 WeakPolarHBondContact O-CA 3.36Å; I689-F715 HydrophobicContact CD1-CD1 4.05Å; I689-F715 HydrophobicContact CD1-CE1 4.49Å; I689-F715 HydrophobicContact CG1-CD1 4.09Å; W702-F715 HydrophobicContact CH2-CB 3.78Å; W702-F715 AromaticContact CH2-CD1 3.6Å; W702-F715 HydrophobicContact CH2-CD1 3.6Å; W702-F715 AromaticContact CH2-CD2 3.98Å; W702-F715 HydrophobicContact CH2-CD2 3.98Å; W702-F715 HydrophobicContact CH2-CE1 4.08Å; W702-F715 HydrophobicContact CH2-CE2 4.42Å; W702-F715 AromaticContact CH2-CG 3.53Å; W702-F715 HydrophobicContact CH2-CG 3.53Å; W702-F715 HydrophobicContact CH2-CZ 4.46Å; W702-F715 AromaticContact CZ2-CD1 3.98Å; W702-F715 HydrophobicContact CZ2-CD1 3.98Å; W702-F715 HydrophobicContact CZ2-CE1 4.16Å; W702-F715 HydrophobicContact CZ2-CG 4.37Å; W702-F715 HydrophobicContact CZ3-CB 4.14Å; W702-F715 HydrophobicContact CZ3-CG 4.34Å; P704-F715 HydrophobicContact CB-CD2 4.1Å; P704-F715 HydrophobicContact CB-CE2 3.99Å; P704-F715 HydrophobicContact CG-CD2 4.33Å; M707-F715 HydrophobicContact CB-CE1 4.01Å; M707-F715 HydrophobicContact CB-CZ 3.95Å; M707-F715 HydrophobicContact CG-CE1 4.36Å; M707-F715 HydrophobicContact SD-CE1 3.8Å; T709-F715 HydrophobicContact CG2-CZ 3.94Å; T712-F715 HydrophobicContact CG2-CD1 4.12Å; T712-F715 HydrophobicContact CG2-CE1 3.82Å; T712-F715 HydrophobicContact CG2-CE2 4.38Å; T712-F715 HydrophobicContact CG2-CZ 3.97Å; F715-I731 WeakPolarHBondContact O-CA 3.42Å; F715-F732 HydrophobicContact CB-CB 4.4Å; F715-F732 PolarHBondContact N-O 2.7Å; F715-F732 PolarHBondContact O-N 3.43Å
716	A	96.9	Very high	90.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	98.9	174.3	0	0	0	0	0	109.3	N687 I688 I689 L729 I731 L760 L764	N687-A716 PolarHBondContact O-N 3.17Å; I688-A716 CarbonylContact C-O 3.45Å; I688-A716 VanDerWaalsContact CA-O 3.32Å; I688-A716 WeakPolarHBondContact CA-O 3.38Å; I689-A716 PolarHBondContact N-O 2.85Å; A716-L729 HydrophobicContact CB-CD1 4.2Å; A716-I731 HydrophobicContact CB-CD1 3.67Å; A716-L760 HydrophobicContact CB-CD1 4.4Å; A716-L764 HydrophobicContact CB-CD2 3.83Å
717	V	96.4	Very high	90.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.6	-177.3	-174.4	0	0	0	0	108.9	I689 V691 P700 W702 L729 N730 F732	I689-V717 HydrophobicContact CB-CG2 4.34Å; I689-V717 CarbonylContact O-C 3.58Å; I689-V717 WeakPolarHBondContact O-CA 3.42Å; V691-V717 HydrophobicContact CG2-CG1 3.86Å; P700-V717 HydrophobicContact CG-CG1 3.92Å; W702-V717 HydrophobicContact CD2-CG2 4.38Å; W702-V717 HydrophobicContact CE3-CG2 3.43Å; W702-V717 VanDerWaalsContact CE3-CG2 3.43Å; W702-V717 HydrophobicContact CH2-CG2 4.46Å; W702-V717 HydrophobicContact CZ3-CG2 3.49Å; W702-V717 VanDerWaalsContact CZ3-CG2 3.49Å; V717-L729 WeakPolarHBondContact O-CA 3.37Å; V717-N730 HydrophobicContact CB-CB 4.34Å; V717-N730 PolarHBondContact N-O 3.4Å; V717-N730 PolarHBondContact O-N 3.44Å; V717-F732 HydrophobicContact CB-CE2 4.44Å; V717-F732 HydrophobicContact CG2-CD2 3.84Å; V717-F732 HydrophobicContact CG2-CE2 3.74Å
718	V	96.5	Very high	91	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.1	-178.5	179.6	0	0	0	0	108.8	F616 I688 I689 F690 V691 Y727 R728 L729 F756	F616-V718 HydrophobicContact CD2-CG1 4.46Å; F616-V718 HydrophobicContact CE2-CG1 4.2Å; F616-V718 HydrophobicContact CE2-CG2 4.47Å; F616-V718 HydrophobicContact CZ-CG2 4.23Å; I688-V718 HydrophobicContact CG2-CG2 3.89Å; I689-V718 PolarHBondContact O-N 2.89Å; F690-V718 WeakPolarHBondContact CA-O 3.24Å; F690-V718 HydrophobicContact CD2-CB 4.23Å; F690-V718 HydrophobicContact CD2-CG1 3.93Å; F690-V718 HydrophobicContact CE2-CG1 4.16Å; V691-V718 PolarHBondContact N-O 3.1Å; V718-Y727 HydrophobicContact CG1-CD1 3.9Å; V718-R728 WeakPolarHBondContact CA-O 3.32Å; V718-L729 HydrophobicContact CG2-CD1 3.95Å; V718-F756 HydrophobicContact CG1-CE1 4.17Å; V718-F756 HydrophobicContact CG1-CZ 3.73Å; V718-F756 HydrophobicContact CG2-CZ 3.93Å
719	T	95.3	Very high	91.5	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	159.9	161.9	65.8	0	0	0	0	109.6	V691 C694 P700 Y727 R728	V691-T719 HydrophobicContact CB-CG2 4.13Å; C694-T719 HydrophobicContact CB-CG2 3.95Å; P700-T719 HydrophobicContact CB-CG2 4.02Å; P700-T719 HydrophobicContact CG-CG2 3.98Å; T719-Y727 WeakPolarHBondContact O-CA 3.2Å; T719-R728 PolarHBondContact N-O 2.8Å; T719-R728 VanDerWaalsContact N-O 3.11Å; T719-R728 PolarHBondContact O-N 2.97Å
720	Y	94.7	Very high	91.9	Very high	33 Å²	33	39.7 Å²	39.7	13%	0.129	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.6	176.9	170.9	-95.8	0	0	0	110.1	Q612 N722 N725 V726 Y727	Q612-Y720 HydrophobicContact CB-CD1 4.13Å; Q612-Y720 HydrophobicContact CG-CD1 3.67Å; Q612-Y720 HydrophobicContact CG-CE1 3.89Å; Y720-N722 HydrophobicContact CD1-CB 4.3Å; Y720-N722 HydrophobicContact CE1-CB 3.76Å; Y720-N722 WeakPolarHBondContact CE1-OD1 3.44Å; Y720-N725 PolarHBondContact OH-OD1 3.24Å; Y720-V726 CarbonylContact C-O 3.55Å; Y720-V726 WeakPolarHBondContact CA-O 3.31Å; Y720-Y727 AromaticContact CD2-CD1 3.87Å; Y720-Y727 HydrophobicContact CD2-CD1 3.87Å; Y720-Y727 AromaticContact CD2-CD2 4Å; Y720-Y727 HydrophobicContact CD2-CD2 4Å; Y720-Y727 AromaticContact CD2-CE1 3.69Å; Y720-Y727 HydrophobicContact CD2-CE1 3.69Å; Y720-Y727 AromaticContact CD2-CE2 3.81Å; Y720-Y727 HydrophobicContact CD2-CE2 3.81Å; Y720-Y727 HydrophobicContact CD2-CG 4.03Å; Y720-Y727 AromaticContact CD2-CZ 3.66Å; Y720-Y727 HydrophobicContact CE2-CD2 4.47Å; Y720-Y727 HydrophobicContact CE2-CE2 4.1Å; Y720-Y727 HydrophobicContact CG-CD1 4.35Å; Y720-Y727 HydrophobicContact CG-CE1 4.11Å
721	D	90.9	Very high	92.5	Very high	33 Å²	33	31.5 Å²	31.5	18%	0.176	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111.9	174.1	-172.2	-38.6	0	0	0	109.1	P696 E723 A724 N725 V726	P696-D721 WeakPolarHBondContact CB-OD2 3.34Å; D721-E723 PolarHBondContact OD1-N 2.88Å; D721-A724 HydrophobicContact CB-CB 4.08Å; D721-A724 PolarHBondContact OD1-N 2.91Å; D721-N725 VanDerWaalsContact O-CA 3.24Å; D721-N725 WeakPolarHBondContact O-CA 3.18Å; D721-N725 PolarHBondContact O-N 2.73Å; D721-V726 HydrophobicContact CB-CB 4.39Å; D721-V726 PolarHBondContact N-O 3.36Å; D721-V726 PolarHBondContact O-N 2.89Å; D721-V726 VanDerWaalsContact O-N 3.12Å
722	N	86.7	Confident	92.9	Very high	95 Å²	95	27.8 Å²	27.8	51%	0.508	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.9	-176.5	-166.7	56.3	0	0	0	113.5	Y720	Y720-N722 HydrophobicContact CD1-CB 4.3Å; Y720-N722 HydrophobicContact CE1-CB 3.76Å; Y720-N722 WeakPolarHBondContact CE1-OD1 3.44Å
723	E	85.9	Confident	93	Very high	175 Å²	175	27.7 Å²	27.7	82%	0.818	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-42.2	173.4	-62.6	-172.7	-178.2	0	0	110.6	D721	D721-E723 PolarHBondContact OD1-N 2.88Å
724	A	86.8	Confident	92.8	Very high	55 Å²	55	29.8 Å²	29.8	46%	0.455	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.4	177.5	0	0	0	0	0	113.9	D721 V726	D721-A724 HydrophobicContact CB-CB 4.08Å; D721-A724 PolarHBondContact OD1-N 2.91Å; A724-V726 HydrophobicContact CB-CB 4.07Å; A724-V726 HydrophobicContact CB-CG2 3.8Å
725	N	89.8	Confident	92.4	Very high	99 Å²	99	37.7 Å²	37.7	53%	0.529	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	56.2	-167	-173.3	19.8	0	0	0	111.2	Y720 D721	Y720-N725 PolarHBondContact OH-OD1 3.24Å; D721-N725 VanDerWaalsContact O-CA 3.24Å; D721-N725 WeakPolarHBondContact O-CA 3.18Å; D721-N725 PolarHBondContact O-N 2.73Å
726	V	92.5	Very high	91.9	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.7	-172.9	165.1	0	0	0	0	110.3	Y720 D721 A724 E749 F750 K751	Y720-V726 CarbonylContact C-O 3.55Å; Y720-V726 WeakPolarHBondContact CA-O 3.31Å; D721-V726 HydrophobicContact CB-CB 4.39Å; D721-V726 PolarHBondContact N-O 3.36Å; D721-V726 PolarHBondContact O-N 2.89Å; D721-V726 VanDerWaalsContact O-N 3.12Å; A724-V726 HydrophobicContact CB-CB 4.07Å; A724-V726 HydrophobicContact CB-CG2 3.8Å; V726-E749 HydrophobicContact CG1-CB 3.74Å; V726-E749 HydrophobicContact CG1-CG 3.94Å; V726-F750 WeakPolarHBondContact CA-O 3.27Å; V726-K751 HydrophobicContact CG2-CG 3.6Å
727	Y	94.5	Very high	91.5	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.3	161.8	-72.3	-82.7	0	0	0	110	F616 L619 F690 V718 T719 Y720 E749 F750 F756	F616-Y727 HydrophobicContact CB-CE1 4.3Å; F616-Y727 AromaticContact CD2-CE1 3.87Å; F616-Y727 HydrophobicContact CD2-CE1 3.87Å; F616-Y727 HydrophobicContact CG-CE1 4.46Å; L619-Y727 HydrophobicContact CD2-CE2 3.93Å; F690-Y727 HydrophobicContact CE2-CE1 4.38Å; V718-Y727 HydrophobicContact CG1-CD1 3.9Å; T719-Y727 WeakPolarHBondContact O-CA 3.2Å; Y720-Y727 AromaticContact CD2-CD1 3.87Å; Y720-Y727 HydrophobicContact CD2-CD1 3.87Å; Y720-Y727 AromaticContact CD2-CD2 4Å; Y720-Y727 HydrophobicContact CD2-CD2 4Å; Y720-Y727 AromaticContact CD2-CE1 3.69Å; Y720-Y727 HydrophobicContact CD2-CE1 3.69Å; Y720-Y727 AromaticContact CD2-CE2 3.81Å; Y720-Y727 HydrophobicContact CD2-CE2 3.81Å; Y720-Y727 HydrophobicContact CD2-CG 4.03Å; Y720-Y727 AromaticContact CD2-CZ 3.66Å; Y720-Y727 HydrophobicContact CE2-CD2 4.47Å; Y720-Y727 HydrophobicContact CE2-CE2 4.1Å; Y720-Y727 HydrophobicContact CG-CD1 4.35Å; Y720-Y727 HydrophobicContact CG-CE1 4.11Å; Y727-E749 WeakPolarHBondContact O-CA 3.32Å; Y727-F750 PolarHBondContact N-O 3.04Å; Y727-F750 PolarHBondContact O-N 3.4Å; Y727-F756 AromaticContact CD1-CD1 3.83Å; Y727-F756 HydrophobicContact CD1-CD1 3.83Å; Y727-F756 AromaticContact CD1-CE1 3.38Å; Y727-F756 HydrophobicContact CD1-CE1 3.38Å; Y727-F756 HydrophobicContact CD1-CZ 4.11Å; Y727-F756 AromaticContact CD2-CD1 3.55Å; Y727-F756 HydrophobicContact CD2-CD1 3.55Å; Y727-F756 HydrophobicContact CD2-CE1 4.02Å; Y727-F756 HydrophobicContact CD2-CG 4.27Å; Y727-F756 HydrophobicContact CE1-CD1 4.4Å; Y727-F756 AromaticContact CE1-CE1 3.97Å; Y727-F756 HydrophobicContact CE1-CE1 3.97Å; Y727-F756 HydrophobicContact CE2-CD1 4.16Å; Y727-F756 AromaticContact CG-CD1 3.35Å; Y727-F756 HydrophobicContact CG-CD1 3.35Å; Y727-F756 AromaticContact CG-CE1 3.39Å; Y727-F756 HydrophobicContact CG-CE1 3.39Å; Y727-F756 HydrophobicContact CG-CG 4.07Å; Y727-F756 HydrophobicContact CG-CZ 4.17Å
728	R	93.4	Very high	91	Very high	30 Å²	30	40.9 Å²	40.9	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.4	170.2	-168.9	-176.7	-67.4	144.2	-0.1	109.7	Q698 V718 T719 P748 E749	Q698-R728 PolarHBondContact O-NH1 2.89Å; V718-R728 WeakPolarHBondContact CA-O 3.32Å; T719-R728 PolarHBondContact N-O 2.8Å; T719-R728 VanDerWaalsContact N-O 3.11Å; T719-R728 PolarHBondContact O-N 2.97Å; R728-P748 WeakPolarHBondContact CA-O 3.4Å; R728-P748 HydrophobicContact CG-CG 4.18Å; R728-P748 WeakPolarHBondContact CG-O 3.22Å; R728-E749 HydrophobicContact CB-CG 4.33Å; R728-E749 HydrophobicContact CG-CG 4.06Å; R728-E749 IonicContact CZ-OE1 3.03Å; R728-E749 VanDerWaalsContact CZ-OE1 3.27Å; R728-E749 IonicContact NE-OE1 2.66Å; R728-E749 PolarHBondContact NE-OE1 3.49Å; R728-E749 IonicContact NH2-OE1 3.23Å; R728-E749 PolarHBondContact NH2-OE1 3.11Å
729	L	93.9	Very high	90.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	110	-175.2	178.8	63.7	0	0	0	111.9	A716 V717 V718 I731 L744 P748 F750 F756 F759 L760	A716-L729 HydrophobicContact CB-CD1 4.2Å; V717-L729 WeakPolarHBondContact O-CA 3.37Å; V718-L729 HydrophobicContact CG2-CD1 3.95Å; L729-I731 HydrophobicContact CD1-CD1 3.84Å; L729-I731 HydrophobicContact CD2-CD1 4.28Å; L729-I731 HydrophobicContact CG-CD1 4.05Å; L729-I731 HydrophobicContact CG-CG1 4.35Å; L729-L744 HydrophobicContact CD2-CD2 4.09Å; L729-L744 HydrophobicContact CG-CD2 4.26Å; L729-P748 PolarHBondContact N-O 3.04Å; L729-F750 HydrophobicContact CB-CE2 4.2Å; L729-F756 HydrophobicContact CB-CE2 4.11Å; L729-F756 HydrophobicContact CD2-CE2 4.26Å; L729-F759 HydrophobicContact CD2-CD1 3.82Å; L729-F759 HydrophobicContact CD2-CE1 3.74Å; L729-L760 HydrophobicContact CD1-CD1 3.98Å; L729-L760 HydrophobicContact CD2-CD1 4.19Å
730	N	93	Very high	90.1	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.053	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.6	167.5	-60.1	-15	0	0	0	108.9	Q699 V717 F732	Q699-N730 PolarHBondContact OE1-ND2 2.98Å; V717-N730 HydrophobicContact CB-CB 4.34Å; V717-N730 PolarHBondContact N-O 3.4Å; V717-N730 PolarHBondContact O-N 3.44Å; N730-F732 HydrophobicContact CB-CE2 4.1Å
731	I	93.9	Very high	89.6	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.7	175.7	-59.8	-65.1	0	0	0	108.5	F447 I714 F715 A716 L729 F740 L744 K763	F447-I731 HydrophobicContact CB-CB 3.95Å; F447-I731 HydrophobicContact CB-CG2 3.82Å; F447-I731 WeakPolarHBondContact CB-O 3.42Å; F447-I731 HydrophobicContact CG-CG2 4.18Å; F447-I731 PolarHBondContact N-O 2.76Å; I714-I731 HydrophobicContact CG2-CG2 4.15Å; F715-I731 WeakPolarHBondContact O-CA 3.42Å; A716-I731 HydrophobicContact CB-CD1 3.67Å; L729-I731 HydrophobicContact CD1-CD1 3.84Å; L729-I731 HydrophobicContact CD2-CD1 4.28Å; L729-I731 HydrophobicContact CG-CD1 4.05Å; L729-I731 HydrophobicContact CG-CG1 4.35Å; I731-F740 HydrophobicContact CG2-CZ 3.98Å; I731-L744 HydrophobicContact CB-CD1 4.5Å; I731-L744 HydrophobicContact CG1-CD1 4.3Å; I731-L744 HydrophobicContact CG1-CD2 3.98Å; I731-L744 HydrophobicContact CG1-CG 4.5Å; I731-K763 HydrophobicContact CD1-CG 4.13Å; I731-K763 HydrophobicContact CG1-CG 4.24Å
732	F	93.9	Very high	89.4	Confident	12 Å²	12	42.4 Å²	42.4	5%	0.053	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.1	169.9	-61.9	-94.3	0	0	0	109.2	F440 F445 M446 W702 P704 I714 F715 V717 N730	F440-F732 HydrophobicContact CE1-CE1 4.25Å; F445-F732 WeakPolarHBondContact O-CA 3.29Å; M446-F732 HydrophobicContact CB-CD1 4.02Å; M446-F732 HydrophobicContact CB-CE1 3.78Å; M446-F732 HydrophobicContact CG-CD1 4.42Å; M446-F732 HydrophobicContact CG-CE1 4.01Å; M446-F732 HydrophobicContact CG-CZ 4.28Å; M446-F732 HydrophobicContact SD-CE1 4.19Å; M446-F732 HydrophobicContact SD-CZ 4.06Å; W702-F732 HydrophobicContact CZ3-CD2 4.3Å; P704-F732 HydrophobicContact CG-CB 3.91Å; P704-F732 HydrophobicContact CG-CD1 3.95Å; P704-F732 HydrophobicContact CG-CG 3.88Å; I714-F732 CarbonylContact C-O 3.58Å; I714-F732 VanDerWaalsContact CA-O 3.31Å; I714-F732 WeakPolarHBondContact CA-O 3.3Å; F715-F732 HydrophobicContact CB-CB 4.4Å; F715-F732 PolarHBondContact N-O 2.7Å; F715-F732 PolarHBondContact O-N 3.43Å; V717-F732 HydrophobicContact CB-CE2 4.44Å; V717-F732 HydrophobicContact CG2-CD2 3.84Å; V717-F732 HydrophobicContact CG2-CE2 3.74Å; N730-F732 HydrophobicContact CB-CE2 4.1Å
733	A	92.5	Very high	89.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.9	177.1	0	0	0	0	0	111.1	Y444 F445 F447 H713 I714 V737	Y444-A733 WeakPolarHBondContact CA-O 3.4Å; F445-A733 WeakPolarHBondContact CD1-O 3.45Å; F445-A733 HydrophobicContact CE1-CB 3.93Å; F445-A733 HydrophobicContact CZ-CB 4.1Å; F445-A733 PolarHBondContact N-O 2.72Å; F445-A733 PolarHBondContact O-N 3.03Å; F445-A733 VanDerWaalsContact O-N 3.08Å; F447-A733 HydrophobicContact CD2-CB 4.13Å; H713-A733 WeakPolarHBondContact O-CA 3.36Å; I714-A733 HydrophobicContact CG1-CB 4.3Å; A733-V737 HydrophobicContact CB-CB 4.34Å
734	E	90	Very high	89.2	Confident	47 Å²	47	32.8 Å²	32.8	22%	0.22	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.1	166.9	-172.7	-164.7	131.6	0	0	109.5	E443 Y444 H713 S736 V737	E443-E734 WeakPolarHBondContact O-CA 3.5Å; Y444-E734 HydrophobicContact CE1-CB 4.31Å; H713-E734 HydrophobicContact CB-CB 4.41Å; H713-E734 IonicContact CD2-OE2 3.92Å; H713-E734 PolarHBondContact CD2-OE2 2.82Å; H713-E734 IonicContact CG-OE2 3.27Å; H713-E734 IonicContact NE2-OE2 2.87Å; H713-E734 PolarHBondContact O-N 3.41Å; E734-S736 PolarHBondContact O-N 3.43Å; E734-S736 WeakPolarHBondContact OE1-CB 3.29Å; E734-S736 PolarHBondContact OE1-OG 2.79Å; E734-V737 HydrophobicContact CB-CG2 4.25Å; E734-V737 WeakPolarHBondContact O-CB 3.26Å; E734-V737 PolarHBondContact O-N 2.62Å
735	E	85.9	Confident	88.8	Confident	167 Å²	167	32 Å²	32	78%	0.78	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-31.7	179.9	-165.5	-160.7	-179	0	0	113.2	E443 V737	E443-E735 PolarHBondContact O-N 2.94Å; E735-V737 PolarHBondContact O-N 3.16Å
736	S	87	Confident	88.1	Confident	36 Å²	36	33.4 Å²	33.4	25%	0.252	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	4.5	-178.3	87.9	0	0	0	0	115.4	E734 S774	E734-S736 PolarHBondContact O-N 3.43Å; E734-S736 WeakPolarHBondContact OE1-CB 3.29Å; E734-S736 PolarHBondContact OE1-OG 2.79Å; S736-S774 WeakPolarHBondContact O-CA 3.45Å; S736-S774 WeakPolarHBondContact O-CB 3.46Å; S736-S774 WeakPolarHBondContact OG-CB 3.28Å
737	V	88.8	Confident	87.7	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.024	19%	0.191	C	C	.	.	S	Bend	trans	-96.9	114.7	175.1	-179.8	0	0	0	0	110.2	H713 I714 A733 E734 E735 F740 A770 A771	H713-V737 HydrophobicContact CB-CG2 3.82Å; I714-V737 HydrophobicContact CD1-CG1 4.09Å; I714-V737 HydrophobicContact CG1-CG1 4.36Å; A733-V737 HydrophobicContact CB-CB 4.34Å; E734-V737 HydrophobicContact CB-CG2 4.25Å; E734-V737 WeakPolarHBondContact O-CB 3.26Å; E734-V737 PolarHBondContact O-N 2.62Å; E735-V737 PolarHBondContact O-N 3.16Å; V737-F740 HydrophobicContact CG1-CD1 4.21Å; V737-F740 HydrophobicContact CG1-CE1 4.12Å; V737-A770 HydrophobicContact CG1-CB 4.17Å; V737-A771 HydrophobicContact CG1-CB 4.48Å; V737-A771 HydrophobicContact CG2-CB 4.29Å
738	P	85.5	Confident	87.3	Confident	29 Å²	29	36.8 Å²	36.8	19%	0.188	19%	0.194	C	C	.	.			trans	-61.6	152.1	175.4	-23.8	35.5	0	0	0	112.7	R773	P738-R773 HydrophobicContact CG-CB 4.06Å
739	F	84.9	Confident	87.1	Confident	99 Å²	99	38.5 Å²	38.5	43%	0.434	20%	0.203	S	C	.	.			trans	-54	141.4	179.4	-71.1	-93.1	0	0	0	113.1	F445 F447 I1227 N1228	F445-F739 HydrophobicContact CE2-CE1 4.43Å; F447-F739 HydrophobicContact CE1-CD1 4.1Å; F447-F739 HydrophobicContact CE2-CB 4.47Å; F447-F739 AromaticContact CE2-CD1 3.79Å; F447-F739 HydrophobicContact CE2-CD1 3.79Å; F447-F739 HydrophobicContact CE2-CE1 4.4Å; F447-F739 HydrophobicContact CE2-CG 4.32Å; F447-F739 HydrophobicContact CZ-CB 3.97Å; F447-F739 AromaticContact CZ-CD1 3.43Å; F447-F739 HydrophobicContact CZ-CD1 3.43Å; F447-F739 VanDerWaalsContact CZ-CD1 3.43Å; F447-F739 HydrophobicContact CZ-CE1 4.29Å; F447-F739 HydrophobicContact CZ-CG 4.05Å; F739-I1227 HydrophobicContact CB-CD1 3.66Å; F739-I1227 HydrophobicContact CB-CG1 3.82Å; F739-I1227 HydrophobicContact CD1-CD1 4.17Å; F739-I1227 HydrophobicContact CG-CD1 4Å; F739-I1227 HydrophobicContact CG-CG1 4.32Å; F739-N1228 PolarHBondContact O-ND2 3.01Å
740	F	88.7	Confident	87	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.018	20%	0.204	C	C	.	.			trans	-140.2	141.8	-178.2	59.3	-86	0	0	0	112.7	F447 E473 I714 I731 V737 K763 N766 G767 A770	F447-F740 HydrophobicContact CD2-CE1 4.13Å; F447-F740 AromaticContact CE2-CD1 3.93Å; F447-F740 HydrophobicContact CE2-CD1 3.93Å; F447-F740 AromaticContact CE2-CE1 3.71Å; F447-F740 HydrophobicContact CE2-CE1 3.71Å; F447-F740 HydrophobicContact CE2-CZ 4.44Å; F447-F740 HydrophobicContact CZ-CD1 4.03Å; F447-F740 HydrophobicContact CZ-CE1 4.12Å; F447-F740 HydrophobicContact CZ-CG 4.5Å; E473-F740 WeakPolarHBondContact OE1-CA 3.42Å; I714-F740 HydrophobicContact CD1-CE1 3.76Å; I714-F740 HydrophobicContact CD1-CZ 3.75Å; I714-F740 HydrophobicContact CG1-CE1 4.43Å; I714-F740 HydrophobicContact CG1-CZ 4.41Å; I714-F740 HydrophobicContact CG2-CZ 4.04Å; I731-F740 HydrophobicContact CG2-CZ 3.98Å; V737-F740 HydrophobicContact CG1-CD1 4.21Å; V737-F740 HydrophobicContact CG1-CE1 4.12Å; F740-K763 HydrophobicContact CD2-CD 3.88Å; F740-K763 HydrophobicContact CD2-CG 4.49Å; F740-K763 HydrophobicContact CE2-CD 3.69Å; F740-K763 HydrophobicContact CE2-CG 3.96Å; F740-K763 WeakPolarHBondContact CE2-O 3.3Å; F740-K763 PolarHBondContact O-NZ 3.49Å; F740-N766 HydrophobicContact CB-CB 4.3Å; F740-N766 HydrophobicContact CD2-CB 4.39Å; F740-G767 VanDerWaalsContact CD2-CA 3.42Å; F740-G767 VanDerWaalsContact CE2-CA 3.5Å; F740-A770 HydrophobicContact CB-CB 3.78Å; F740-A770 HydrophobicContact CD1-CB 3.98Å; F740-A770 HydrophobicContact CG-CB 4.15Å
741	G	82.9	Confident	86.9	Confident	5 Å²	5	46.3 Å²	46.3	5%	0.052	24%	0.237	C	C	.	.	S	Bend	trans	-86.5	172.4	-177.2	0	0	0	0	0	114.1	E473 N766	E473-G741 PolarHBondContact OE1-N 2.8Å; G741-N766 VanDerWaalsContact O-CB 3.26Å; G741-N766 WeakPolarHBondContact O-CB 3.46Å; G741-N766 PolarHBondContact O-ND2 2.9Å
742	P	87.3	Confident	86.8	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.256	C	S	.	.	S	Bend	cis	-65.7	151.9	-11.1	29.9	-39.1	0	0	0	111.9	L470 F759 K763	L470-P742 HydrophobicContact CD2-CB 4.01Å; L470-P742 HydrophobicContact CD2-CG 3.77Å; P742-F759 HydrophobicContact CB-CD2 4.32Å; P742-F759 HydrophobicContact CB-CE2 3.77Å; P742-F759 HydrophobicContact CB-CZ 4.12Å; P742-F759 HydrophobicContact CG-CD1 4.25Å; P742-F759 HydrophobicContact CG-CD2 3.72Å; P742-F759 HydrophobicContact CG-CE1 3.96Å; P742-F759 HydrophobicContact CG-CE2 3.42Å; P742-F759 VanDerWaalsContact CG-CE2 3.42Å; P742-F759 HydrophobicContact CG-CG 4.11Å; P742-F759 HydrophobicContact CG-CZ 3.52Å; P742-K763 VanDerWaalsContact O-CD 3.23Å; P742-K763 WeakPolarHBondContact O-CD 3.29Å; P742-K763 WeakPolarHBondContact O-CE 3.27Å; P742-K763 PolarHBondContact O-NZ 3.27Å
743	P	83.4	Confident	86.7	Confident	42 Å²	42	52 Å²	52	27%	0.273	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-58.8	143.9	167.8	-21.2	33.3	0	0	0	111	D448 F759	D448-P743 WeakPolarHBondContact OD2-CA 3.44Å; P743-F759 WeakPolarHBondContact O-CE2 3.38Å; P743-F759 WeakPolarHBondContact O-CZ 3.46Å
744	L	83.9	Confident	86.7	Confident	26 Å²	26	55.3 Å²	55.3	14%	0.136	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-57.6	149.4	172.2	-67	-176.4	0	0	0	111.6	D448 L729 I731 F759	D448-L744 HydrophobicContact CB-CB 3.74Å; D448-L744 HydrophobicContact CB-CD1 4.11Å; D448-L744 HydrophobicContact CB-CG 3.88Å; D448-L744 PolarHBondContact OD2-N 2.64Å; L729-L744 HydrophobicContact CD2-CD2 4.09Å; L729-L744 HydrophobicContact CG-CD2 4.26Å; I731-L744 HydrophobicContact CB-CD1 4.5Å; I731-L744 HydrophobicContact CG1-CD1 4.3Å; I731-L744 HydrophobicContact CG1-CD2 3.98Å; I731-L744 HydrophobicContact CG1-CG 4.5Å; L744-F759 HydrophobicContact CD2-CE1 3.79Å; L744-F759 HydrophobicContact CD2-CZ 3.88Å
745	H	78.5	Confident	86.7	Confident	40 Å²	40	56.4 Å²	56.4	19%	0.185	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.7	154.3	169.1	-65.7	178.6	0	0	0	110	P747 P748 F750 F759	H745-P747 VanDerWaalsContact C-C 3.47Å; H745-P747 CarbonylContact C-O 3.5Å; H745-P747 VanDerWaalsContact CB-O 3.29Å; H745-P747 WeakPolarHBondContact CB-O 3.22Å; H745-P747 CarbonylContact O-C 3.54Å; H745-P748 WeakPolarHBondContact O-CA 3.45Å; H745-P748 VanDerWaalsContact O-N 3.1Å; H745-F750 AromaticContact CE1-CD1 3.97Å; H745-F750 AromaticContact CE1-CE1 3.36Å; H745-F750 WeakPolarHBondContact CE1-CE1 3.45Å; H745-F750 AromaticContact CE1-CZ 3.99Å; H745-F750 AromaticContact ND1-CD1 3.92Å; H745-F750 AromaticContact ND1-CE1 3.42Å; H745-F750 WeakPolarHBondContact ND1-CE1 3.45Å; H745-F750 AromaticContact ND1-CZ 3.72Å; H745-F759 AromaticContact CD2-CE2 3.94Å; H745-F759 AromaticContact NE2-CD2 3.97Å; H745-F759 AromaticContact NE2-CE2 3.92Å
746	N	76.8	Confident	87.1	Confident	127 Å²	127	48.4 Å²	48.4	68%	0.679	26%	0.255	S	S	*	.	S	Bend	trans	-121	112.5	168.2	-171.6	-8.2	0	0	0	109.1
747	P	83.1	Confident	87.5	Confident	74 Å²	74	48.1 Å²	48.1	48%	0.481	25%	0.249	S	C	.	.	S	Bend	cis	-64.9	159.6	-6.6	30.3	-36.8	0	0	0	112.4	H745 E749	H745-P747 VanDerWaalsContact C-C 3.47Å; H745-P747 CarbonylContact C-O 3.5Å; H745-P747 VanDerWaalsContact CB-O 3.29Å; H745-P747 WeakPolarHBondContact CB-O 3.22Å; H745-P747 CarbonylContact O-C 3.54Å; P747-E749 HydrophobicContact CB-CG 4.22Å; P747-E749 HydrophobicContact CG-CB 4.42Å; P747-E749 PolarHBondContact O-N 3.38Å
748	P	86.5	Confident	87.6	Confident	17 Å²	17	49.9 Å²	49.9	11%	0.11	26%	0.257	C	S	.	.			trans	-78	51.1	-176	32.7	-36.9	0	0	0	112.8	R728 L729 H745	R728-P748 WeakPolarHBondContact CA-O 3.4Å; R728-P748 HydrophobicContact CG-CG 4.18Å; R728-P748 WeakPolarHBondContact CG-O 3.22Å; L729-P748 PolarHBondContact N-O 3.04Å; H745-P748 WeakPolarHBondContact O-CA 3.45Å; H745-P748 VanDerWaalsContact O-N 3.1Å
749	E	89.6	Confident	88	Confident	65 Å²	65	48.6 Å²	48.6	30%	0.304	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.5	-166.3	-70	-175.3	169.8	0	0	112.7	V726 Y727 R728 P747	V726-E749 HydrophobicContact CG1-CB 3.74Å; V726-E749 HydrophobicContact CG1-CG 3.94Å; Y727-E749 WeakPolarHBondContact O-CA 3.32Å; R728-E749 HydrophobicContact CB-CG 4.33Å; R728-E749 HydrophobicContact CG-CG 4.06Å; R728-E749 IonicContact CZ-OE1 3.03Å; R728-E749 VanDerWaalsContact CZ-OE1 3.27Å; R728-E749 IonicContact NE-OE1 2.66Å; R728-E749 PolarHBondContact NE-OE1 3.49Å; R728-E749 IonicContact NH2-OE1 3.23Å; R728-E749 PolarHBondContact NH2-OE1 3.11Å; P747-E749 HydrophobicContact CB-CG 4.22Å; P747-E749 HydrophobicContact CG-CB 4.42Å; P747-E749 PolarHBondContact O-N 3.38Å
750	F	91.6	Very high	88.5	Confident	5 Å²	5	44 Å²	44	2%	0.022	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.2	-174.3	-60	-99.6	0	0	0	110.8	V726 Y727 L729 H745 F756 F759	V726-F750 WeakPolarHBondContact CA-O 3.27Å; Y727-F750 PolarHBondContact N-O 3.04Å; Y727-F750 PolarHBondContact O-N 3.4Å; L729-F750 HydrophobicContact CB-CE2 4.2Å; H745-F750 AromaticContact CE1-CD1 3.97Å; H745-F750 AromaticContact CE1-CE1 3.36Å; H745-F750 WeakPolarHBondContact CE1-CE1 3.45Å; H745-F750 AromaticContact CE1-CZ 3.99Å; H745-F750 AromaticContact ND1-CD1 3.92Å; H745-F750 AromaticContact ND1-CE1 3.42Å; H745-F750 WeakPolarHBondContact ND1-CE1 3.45Å; H745-F750 AromaticContact ND1-CZ 3.72Å; F750-F756 HydrophobicContact CB-CB 3.66Å; F750-F756 HydrophobicContact CB-CD2 4.3Å; F750-F756 HydrophobicContact CB-CG 4.25Å; F750-F756 HydrophobicContact CD1-CB 4.18Å; F750-F756 AromaticContact CD2-CD2 3.78Å; F750-F756 HydrophobicContact CD2-CD2 3.78Å; F750-F756 HydrophobicContact CE2-CD2 4.22Å; F750-F756 HydrophobicContact CG-CB 3.92Å; F750-F756 AromaticContact CG-CD2 3.96Å; F750-F756 HydrophobicContact CG-CD2 3.96Å; F750-F756 HydrophobicContact CG-CG 4.34Å; F750-F759 HydrophobicContact CE1-CB 3.77Å; F750-F759 HydrophobicContact CE1-CD1 4.23Å; F750-F759 AromaticContact CE1-CD2 3.67Å; F750-F759 HydrophobicContact CE1-CD2 3.67Å; F750-F759 HydrophobicContact CE1-CE2 4.35Å; F750-F759 AromaticContact CE1-CG 3.62Å; F750-F759 HydrophobicContact CE1-CG 3.62Å; F750-F759 HydrophobicContact CZ-CB 4.13Å; F750-F759 AromaticContact CZ-CD1 3.7Å; F750-F759 HydrophobicContact CZ-CD1 3.7Å; F750-F759 AromaticContact CZ-CD2 3.67Å; F750-F759 HydrophobicContact CZ-CD2 3.67Å; F750-F759 HydrophobicContact CZ-CE1 4.03Å; F750-F759 AromaticContact CZ-CE2 3.98Å; F750-F759 HydrophobicContact CZ-CE2 3.98Å; F750-F759 AromaticContact CZ-CG 3.55Å; F750-F759 HydrophobicContact CZ-CG 3.55Å; F750-F759 HydrophobicContact CZ-CZ 4.18Å
751	K	91.2	Very high	88.8	Confident	170 Å²	170	43.8 Å²	43.8	74%	0.739	23%	0.227	S	C	*	.	S	Bend	trans	-85.4	-13.4	176.8	-71.7	175.3	-180	-177.9	0	113.9	V726	V726-K751 HydrophobicContact CG2-CG 3.6Å
752	N	91.3	Very high	89.3	Confident	77 Å²	77	43.6 Å²	43.6	41%	0.412	23%	0.225	S	C	.	.			trans	-113.1	113.2	178.2	175.9	-1.7	0	0	0	108.2	Q754 E755 F756	N752-Q754 VanDerWaalsContact C-N 3.31Å; N752-Q754 PolarHBondContact O-N 2.9Å; N752-Q754 PolarHBondContact OD1-N 2.77Å; N752-Q754 VanDerWaalsContact OD1-N 3.12Å; N752-E755 HydrophobicContact CB-CB 3.79Å; N752-E755 PolarHBondContact O-N 2.93Å; N752-E755 PolarHBondContact OD1-N 2.89Å; N752-F756 PolarHBondContact O-N 2.84Å
753	S	91.9	Very high	89.6	Confident	56 Å²	56	43.6 Å²	43.6	39%	0.392	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-34.9	-177.6	52.4	0	0	0	0	112.9	R757	S753-R757 WeakPolarHBondContact O-CB 3.37Å; S753-R757 PolarHBondContact O-N 3.34Å
754	Q	92.2	Very high	90.2	Very high	71 Å²	71	41.7 Å²	41.7	33%	0.332	21%	0.212	S	C	.	.	H	α-helix	trans	-71.7	-37.3	176.6	-179.3	63.1	19.6	0	0	111.7	N752 R757 E758	N752-Q754 VanDerWaalsContact C-N 3.31Å; N752-Q754 PolarHBondContact O-N 2.9Å; N752-Q754 PolarHBondContact OD1-N 2.77Å; N752-Q754 VanDerWaalsContact OD1-N 3.12Å; Q754-R757 WeakPolarHBondContact O-CB 3.39Å; Q754-R757 PolarHBondContact O-N 2.9Å; Q754-E758 PolarHBondContact NE2-OE1 3.37Å; Q754-E758 WeakPolarHBondContact O-CG 3.27Å; Q754-E758 PolarHBondContact O-N 3.03Å
755	E	90.1	Very high	90.7	Very high	69 Å²	69	40.5 Å²	40.5	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-65.6	-43.8	174.2	-174.4	178.5	169.3	0	0	111.1	N752 R757 E758 F759	N752-E755 HydrophobicContact CB-CB 3.79Å; N752-E755 PolarHBondContact O-N 2.93Å; N752-E755 PolarHBondContact OD1-N 2.89Å; E755-R757 PolarHBondContact O-N 2.9Å; E755-E758 PolarHBondContact O-N 2.87Å; E755-F759 WeakPolarHBondContact O-CB 3.23Å; E755-F759 PolarHBondContact O-N 2.98Å
756	F	94.2	Very high	91.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-48	170.9	173.1	-126.9	0	0	0	112.1	F616 L619 V718 Y727 L729 F750 N752 E758 F759 L760	F616-F756 HydrophobicContact CD2-CE1 4.06Å; F616-F756 AromaticContact CE2-CE1 3.71Å; F616-F756 HydrophobicContact CE2-CE1 3.71Å; F616-F756 HydrophobicContact CE2-CZ 4.11Å; L619-F756 HydrophobicContact CD2-CD1 4.05Å; V718-F756 HydrophobicContact CG1-CE1 4.17Å; V718-F756 HydrophobicContact CG1-CZ 3.73Å; V718-F756 HydrophobicContact CG2-CZ 3.93Å; Y727-F756 AromaticContact CD1-CD1 3.83Å; Y727-F756 HydrophobicContact CD1-CD1 3.83Å; Y727-F756 AromaticContact CD1-CE1 3.38Å; Y727-F756 HydrophobicContact CD1-CE1 3.38Å; Y727-F756 HydrophobicContact CD1-CZ 4.11Å; Y727-F756 AromaticContact CD2-CD1 3.55Å; Y727-F756 HydrophobicContact CD2-CD1 3.55Å; Y727-F756 HydrophobicContact CD2-CE1 4.02Å; Y727-F756 HydrophobicContact CD2-CG 4.27Å; Y727-F756 HydrophobicContact CE1-CD1 4.4Å; Y727-F756 AromaticContact CE1-CE1 3.97Å; Y727-F756 HydrophobicContact CE1-CE1 3.97Å; Y727-F756 HydrophobicContact CE2-CD1 4.16Å; Y727-F756 AromaticContact CG-CD1 3.35Å; Y727-F756 HydrophobicContact CG-CD1 3.35Å; Y727-F756 AromaticContact CG-CE1 3.39Å; Y727-F756 HydrophobicContact CG-CE1 3.39Å; Y727-F756 HydrophobicContact CG-CG 4.07Å; Y727-F756 HydrophobicContact CG-CZ 4.17Å; L729-F756 HydrophobicContact CB-CE2 4.11Å; L729-F756 HydrophobicContact CD2-CE2 4.26Å; F750-F756 HydrophobicContact CB-CB 3.66Å; F750-F756 HydrophobicContact CB-CD2 4.3Å; F750-F756 HydrophobicContact CB-CG 4.25Å; F750-F756 HydrophobicContact CD1-CB 4.18Å; F750-F756 AromaticContact CD2-CD2 3.78Å; F750-F756 HydrophobicContact CD2-CD2 3.78Å; F750-F756 HydrophobicContact CE2-CD2 4.22Å; F750-F756 HydrophobicContact CG-CB 3.92Å; F750-F756 AromaticContact CG-CD2 3.96Å; F750-F756 HydrophobicContact CG-CD2 3.96Å; F750-F756 HydrophobicContact CG-CG 4.34Å; N752-F756 PolarHBondContact O-N 2.84Å; F756-E758 PolarHBondContact O-N 3.01Å; F756-F759 PolarHBondContact O-N 3.08Å; F756-L760 HydrophobicContact CE1-CD2 4.28Å; F756-L760 HydrophobicContact CE2-CB 4.29Å; F756-L760 HydrophobicContact CE2-CD2 4.28Å; F756-L760 HydrophobicContact CZ-CD2 3.84Å; F756-L760 WeakPolarHBondContact O-CB 3.31Å; F756-L760 PolarHBondContact O-N 2.85Å
757	R	94.8	Very high	92.2	Very high	30 Å²	30	32.5 Å²	32.5	11%	0.113	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-48.5	176.4	-176	-163	-172.1	-95.2	-11.1	111.5	L619 L620 T650 S753 Q754 E755 L760 L761	L619-R757 HydrophobicContact CD1-CB 4.08Å; L619-R757 HydrophobicContact CD1-CG 4.48Å; L619-R757 HydrophobicContact CG-CB 4.13Å; L619-R757 HydrophobicContact CG-CG 4.41Å; L619-R757 WeakPolarHBondContact O-CD 3.12Å; L619-R757 WeakPolarHBondContact O-CG 3.48Å; L619-R757 PolarHBondContact O-NE 3.41Å; L620-R757 PolarHBondContact O-NH2 3.46Å; T650-R757 PolarHBondContact OG1-NH2 3.31Å; S753-R757 WeakPolarHBondContact O-CB 3.37Å; S753-R757 PolarHBondContact O-N 3.34Å; Q754-R757 WeakPolarHBondContact O-CB 3.39Å; Q754-R757 PolarHBondContact O-N 2.9Å; E755-R757 PolarHBondContact O-N 2.9Å; R757-L760 PolarHBondContact O-N 3.08Å; R757-L761 HydrophobicContact CG-CD1 4.12Å; R757-L761 WeakPolarHBondContact O-CB 3.27Å; R757-L761 VanDerWaalsContact O-CG 3.28Å; R757-L761 WeakPolarHBondContact O-CG 3.34Å; R757-L761 PolarHBondContact O-N 3.28Å
758	E	91.7	Very high	92.7	Very high	41 Å²	41	29.4 Å²	29.4	19%	0.192	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-37.6	-178.4	-71.2	-175.6	-174.2	0	0	112.6	L470 Y652 Q754 E755 F756 V762 R861	L470-E758 HydrophobicContact CD1-CB 3.78Å; Y652-E758 HydrophobicContact CE2-CG 4.33Å; Y652-E758 PolarHBondContact OH-O 2.84Å; Q754-E758 PolarHBondContact NE2-OE1 3.37Å; Q754-E758 WeakPolarHBondContact O-CG 3.27Å; Q754-E758 PolarHBondContact O-N 3.03Å; E755-E758 PolarHBondContact O-N 2.87Å; F756-E758 PolarHBondContact O-N 3.01Å; E758-V762 WeakPolarHBondContact O-CG2 3.28Å; E758-V762 PolarHBondContact O-N 2.7Å; E758-R861 IonicContact OE1-NH2 3.06Å; E758-R861 IonicContact OE2-CZ 3.38Å; E758-R861 IonicContact OE2-NE 2.73Å; E758-R861 IonicContact OE2-NH2 3.24Å; E758-R861 PolarHBondContact OE2-NH2 3.01Å
759	F	93	Very high	92.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-51.9	172	-175.5	-74.4	0	0	0	111	L470 L729 P742 P743 L744 H745 F750 E755 F756 V762 K763	L470-F759 HydrophobicContact CD1-CB 4.48Å; L470-F759 HydrophobicContact CD2-CB 4.22Å; L470-F759 HydrophobicContact CD2-CD2 3.85Å; L470-F759 HydrophobicContact CD2-CG 4.32Å; L729-F759 HydrophobicContact CD2-CD1 3.82Å; L729-F759 HydrophobicContact CD2-CE1 3.74Å; P742-F759 HydrophobicContact CB-CD2 4.32Å; P742-F759 HydrophobicContact CB-CE2 3.77Å; P742-F759 HydrophobicContact CB-CZ 4.12Å; P742-F759 HydrophobicContact CG-CD1 4.25Å; P742-F759 HydrophobicContact CG-CD2 3.72Å; P742-F759 HydrophobicContact CG-CE1 3.96Å; P742-F759 HydrophobicContact CG-CE2 3.42Å; P742-F759 VanDerWaalsContact CG-CE2 3.42Å; P742-F759 HydrophobicContact CG-CG 4.11Å; P742-F759 HydrophobicContact CG-CZ 3.52Å; P743-F759 WeakPolarHBondContact O-CE2 3.38Å; P743-F759 WeakPolarHBondContact O-CZ 3.46Å; L744-F759 HydrophobicContact CD2-CE1 3.79Å; L744-F759 HydrophobicContact CD2-CZ 3.88Å; H745-F759 AromaticContact CD2-CE2 3.94Å; H745-F759 AromaticContact NE2-CD2 3.97Å; H745-F759 AromaticContact NE2-CE2 3.92Å; F750-F759 HydrophobicContact CE1-CB 3.77Å; F750-F759 HydrophobicContact CE1-CD1 4.23Å; F750-F759 AromaticContact CE1-CD2 3.67Å; F750-F759 HydrophobicContact CE1-CD2 3.67Å; F750-F759 HydrophobicContact CE1-CE2 4.35Å; F750-F759 AromaticContact CE1-CG 3.62Å; F750-F759 HydrophobicContact CE1-CG 3.62Å; F750-F759 HydrophobicContact CZ-CB 4.13Å; F750-F759 AromaticContact CZ-CD1 3.7Å; F750-F759 HydrophobicContact CZ-CD1 3.7Å; F750-F759 AromaticContact CZ-CD2 3.67Å; F750-F759 HydrophobicContact CZ-CD2 3.67Å; F750-F759 HydrophobicContact CZ-CE1 4.03Å; F750-F759 AromaticContact CZ-CE2 3.98Å; F750-F759 HydrophobicContact CZ-CE2 3.98Å; F750-F759 AromaticContact CZ-CG 3.55Å; F750-F759 HydrophobicContact CZ-CG 3.55Å; F750-F759 HydrophobicContact CZ-CZ 4.18Å; E755-F759 WeakPolarHBondContact O-CB 3.23Å; E755-F759 PolarHBondContact O-N 2.98Å; F756-F759 PolarHBondContact O-N 3.08Å; F759-V762 PolarHBondContact O-N 2.95Å; F759-K763 HydrophobicContact CD1-CB 4.37Å; F759-K763 HydrophobicContact CE1-CB 4.13Å; F759-K763 HydrophobicContact CE1-CD 4.48Å; F759-K763 HydrophobicContact CE1-CG 4.26Å; F759-K763 WeakPolarHBondContact O-CB 3.23Å; F759-K763 PolarHBondContact O-N 3.32Å
760	L	95.8	Very high	92.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-50.4	-176	179.3	62.4	0	0	0	111.3	F616 L620 I688 A716 L729 F756 R757 V762 K763 L764	F616-L760 HydrophobicContact CE2-CD2 3.91Å; F616-L760 HydrophobicContact CZ-CD2 3.99Å; L620-L760 HydrophobicContact CD2-CD2 3.89Å; I688-L760 HydrophobicContact CD1-CD2 4.4Å; A716-L760 HydrophobicContact CB-CD1 4.4Å; L729-L760 HydrophobicContact CD1-CD1 3.98Å; L729-L760 HydrophobicContact CD2-CD1 4.19Å; F756-L760 HydrophobicContact CE1-CD2 4.28Å; F756-L760 HydrophobicContact CE2-CB 4.29Å; F756-L760 HydrophobicContact CE2-CD2 4.28Å; F756-L760 HydrophobicContact CZ-CD2 3.84Å; F756-L760 WeakPolarHBondContact O-CB 3.31Å; F756-L760 PolarHBondContact O-N 2.85Å; R757-L760 PolarHBondContact O-N 3.08Å; L760-V762 VanDerWaalsContact C-N 3.26Å; L760-V762 PolarHBondContact O-N 3.05Å; L760-K763 PolarHBondContact O-N 2.94Å; L760-L764 HydrophobicContact CD1-CD1 3.9Å; L760-L764 HydrophobicContact CD1-CD2 4.28Å; L760-L764 HydrophobicContact CD1-CG 3.94Å; L760-L764 HydrophobicContact CG-CD1 3.81Å; L760-L764 HydrophobicContact CG-CG 4.29Å; L760-L764 WeakPolarHBondContact O-CB 3.11Å; L760-L764 WeakPolarHBondContact O-CG 3.42Å; L760-L764 PolarHBondContact O-N 2.94Å
761	L	95.3	Very high	92.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.7	-38	178.9	-67.7	178.3	0	0	0	112.2	T650 Y652 I657 F659 R757 I765	T650-L761 HydrophobicContact CG2-CD1 4.27Å; T650-L761 HydrophobicContact CG2-CD2 4.43Å; Y652-L761 HydrophobicContact CD1-CB 4.42Å; Y652-L761 HydrophobicContact CD2-CB 4.22Å; Y652-L761 HydrophobicContact CD2-CD1 3.63Å; Y652-L761 HydrophobicContact CE2-CB 4.37Å; Y652-L761 HydrophobicContact CE2-CD1 4.19Å; Y652-L761 HydrophobicContact CG-CB 4.23Å; Y652-L761 HydrophobicContact CG-CD1 4.11Å; I657-L761 HydrophobicContact CD1-CD2 3.95Å; F659-L761 HydrophobicContact CZ-CD2 3.81Å; R757-L761 HydrophobicContact CG-CD1 4.12Å; R757-L761 WeakPolarHBondContact O-CB 3.27Å; R757-L761 VanDerWaalsContact O-CG 3.28Å; R757-L761 WeakPolarHBondContact O-CG 3.34Å; R757-L761 PolarHBondContact O-N 3.28Å; L761-I765 WeakPolarHBondContact O-CB 3.33Å; L761-I765 WeakPolarHBondContact O-CD1 3.45Å; L761-I765 WeakPolarHBondContact O-CG1 3.47Å; L761-I765 PolarHBondContact O-N 2.97Å; L761-I765 VanDerWaalsContact O-N 3.14Å
762	V	92.7	Very high	92.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-68.8	-49	175.5	176.7	0	0	0	0	111.2	H471 L472 Y652 E758 F759 L760 L764 I765 N766	H471-V762 WeakPolarHBondContact O-CG1 3.16Å; L472-V762 HydrophobicContact CD2-CB 4.44Å; L472-V762 HydrophobicContact CD2-CG1 4.22Å; L472-V762 HydrophobicContact CD2-CG2 4.22Å; Y652-V762 HydrophobicContact CE1-CG2 3.49Å; Y652-V762 VanDerWaalsContact CE1-CG2 3.49Å; Y652-V762 WeakPolarHBondContact OH-CG2 3.08Å; E758-V762 WeakPolarHBondContact O-CG2 3.28Å; E758-V762 PolarHBondContact O-N 2.7Å; F759-V762 PolarHBondContact O-N 2.95Å; L760-V762 VanDerWaalsContact C-N 3.26Å; L760-V762 PolarHBondContact O-N 3.05Å; V762-L764 VanDerWaalsContact C-N 3.29Å; V762-L764 PolarHBondContact O-N 2.76Å; V762-I765 PolarHBondContact O-N 3.46Å; V762-N766 VanDerWaalsContact CG1-ND2 3.32Å; V762-N766 WeakPolarHBondContact CG1-ND2 3.48Å; V762-N766 WeakPolarHBondContact O-CB 3.45Å; V762-N766 VanDerWaalsContact O-CG 3.28Å; V762-N766 PolarHBondContact O-N 3.31Å
763	K	94.3	Very high	92.3	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-38.2	-179.5	-169	69.4	167.5	-173.9	0	111.4	F447 D448 I731 F740 P742 F759 L760 G767	F447-K763 VanDerWaalsContact CE1-NZ 3.27Å; D448-K763 IonicContact OD2-NZ 3.93Å; D448-K763 PolarHBondContact OD2-NZ 3.04Å; I731-K763 HydrophobicContact CD1-CG 4.13Å; I731-K763 HydrophobicContact CG1-CG 4.24Å; F740-K763 HydrophobicContact CD2-CD 3.88Å; F740-K763 HydrophobicContact CD2-CG 4.49Å; F740-K763 HydrophobicContact CE2-CD 3.69Å; F740-K763 HydrophobicContact CE2-CG 3.96Å; F740-K763 WeakPolarHBondContact CE2-O 3.3Å; F740-K763 PolarHBondContact O-NZ 3.49Å; P742-K763 VanDerWaalsContact O-CD 3.23Å; P742-K763 WeakPolarHBondContact O-CD 3.29Å; P742-K763 WeakPolarHBondContact O-CE 3.27Å; P742-K763 PolarHBondContact O-NZ 3.27Å; F759-K763 HydrophobicContact CD1-CB 4.37Å; F759-K763 HydrophobicContact CE1-CB 4.13Å; F759-K763 HydrophobicContact CE1-CD 4.48Å; F759-K763 HydrophobicContact CE1-CG 4.26Å; F759-K763 WeakPolarHBondContact O-CB 3.23Å; F759-K763 PolarHBondContact O-N 3.32Å; L760-K763 PolarHBondContact O-N 2.94Å; K763-G767 WeakPolarHBondContact O-CA 2.85Å; K763-G767 PolarHBondContact O-N 2.88Å
764	L	96.1	Very high	92	Very high	3 Å²	3	19 Å²	19	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-67.9	-46.7	175.7	-64.5	169.9	0	0	0	112.6	F588 V686 I688 A716 L760 V762 G767 E768	F588-L764 HydrophobicContact CD2-CB 4.13Å; F588-L764 HydrophobicContact CD2-CD1 3.96Å; F588-L764 HydrophobicContact CE1-CB 4.14Å; F588-L764 HydrophobicContact CE2-CB 3.64Å; F588-L764 HydrophobicContact CE2-CD1 4.18Å; F588-L764 HydrophobicContact CG-CD1 4.49Å; F588-L764 HydrophobicContact CZ-CB 3.65Å; V686-L764 HydrophobicContact CB-CD2 4.5Å; V686-L764 HydrophobicContact CG1-CD2 3.4Å; I688-L764 HydrophobicContact CD1-CD1 3.72Å; I688-L764 HydrophobicContact CG1-CD1 4.08Å; I688-L764 HydrophobicContact CG1-CD2 4.15Å; A716-L764 HydrophobicContact CB-CD2 3.83Å; L760-L764 HydrophobicContact CD1-CD1 3.9Å; L760-L764 HydrophobicContact CD1-CD2 4.28Å; L760-L764 HydrophobicContact CD1-CG 3.94Å; L760-L764 HydrophobicContact CG-CD1 3.81Å; L760-L764 HydrophobicContact CG-CG 4.29Å; L760-L764 WeakPolarHBondContact O-CB 3.11Å; L760-L764 WeakPolarHBondContact O-CG 3.42Å; L760-L764 PolarHBondContact O-N 2.94Å; V762-L764 VanDerWaalsContact C-N 3.29Å; V762-L764 PolarHBondContact O-N 2.76Å; L764-G767 PolarHBondContact O-N 2.88Å; L764-E768 PolarHBondContact O-N 3.02Å
765	I	93.6	Very high	91.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.7	-46.7	178.5	-69.1	164	0	0	0	111.1	L472 F586 F588 Y652 H655 I657 L761 V762 G767 E768 K769	L472-I765 HydrophobicContact CD2-CB 3.9Å; L472-I765 HydrophobicContact CD2-CD1 3.91Å; L472-I765 HydrophobicContact CD2-CG2 3.71Å; F586-I765 HydrophobicContact CD1-CG1 4.44Å; F586-I765 HydrophobicContact CD1-CG2 4.49Å; F586-I765 HydrophobicContact CD2-CG1 4.29Å; F586-I765 HydrophobicContact CE1-CG2 3.97Å; F586-I765 HydrophobicContact CE2-CG2 4.01Å; F586-I765 HydrophobicContact CG-CG1 4.25Å; F586-I765 HydrophobicContact CZ-CG2 3.73Å; F588-I765 HydrophobicContact CE2-CG1 4.38Å; F588-I765 HydrophobicContact CZ-CG1 4.1Å; Y652-I765 HydrophobicContact CD1-CD1 4.04Å; H655-I765 HydrophobicContact CB-CD1 4.44Å; I657-I765 HydrophobicContact CD1-CD1 3.98Å; I657-I765 HydrophobicContact CD1-CG1 4.45Å; L761-I765 WeakPolarHBondContact O-CB 3.33Å; L761-I765 WeakPolarHBondContact O-CD1 3.45Å; L761-I765 WeakPolarHBondContact O-CG1 3.47Å; L761-I765 PolarHBondContact O-N 2.97Å; L761-I765 VanDerWaalsContact O-N 3.14Å; V762-I765 PolarHBondContact O-N 3.46Å; I765-G767 VanDerWaalsContact C-N 3.29Å; I765-G767 PolarHBondContact O-N 2.92Å; I765-E768 PolarHBondContact O-N 3.48Å; I765-K769 HydrophobicContact CG2-CD 4.19Å; I765-K769 WeakPolarHBondContact O-CG 3.48Å; I765-K769 PolarHBondContact O-N 2.9Å
766	N	92.9	Very high	91.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-37.6	177.7	-67.9	-10.1	0	0	0	110.7	H471 E473 F740 G741 V762 K769 A770	H471-N766 PolarHBondContact O-ND2 2.98Å; H471-N766 VanDerWaalsContact O-ND2 3.15Å; E473-N766 HydrophobicContact CG-CB 4.34Å; E473-N766 PolarHBondContact N-OD1 2.8Å; F740-N766 HydrophobicContact CB-CB 4.3Å; F740-N766 HydrophobicContact CD2-CB 4.39Å; G741-N766 VanDerWaalsContact O-CB 3.26Å; G741-N766 WeakPolarHBondContact O-CB 3.46Å; G741-N766 PolarHBondContact O-ND2 2.9Å; V762-N766 VanDerWaalsContact CG1-ND2 3.32Å; V762-N766 WeakPolarHBondContact CG1-ND2 3.48Å; V762-N766 WeakPolarHBondContact O-CB 3.45Å; V762-N766 VanDerWaalsContact O-CG 3.28Å; V762-N766 PolarHBondContact O-N 3.31Å; N766-K769 PolarHBondContact O-N 2.95Å; N766-A770 WeakPolarHBondContact O-CB 3.19Å; N766-A770 PolarHBondContact O-N 2.99Å
767	G	93.7	Very high	91.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58	-51.9	172.1	0	0	0	0	0	113.3	I714 F740 K763 L764 I765 K769 A770 A771	I714-G767 VanDerWaalsContact CD1-CA 3.43Å; I714-G767 WeakPolarHBondContact CD1-O 3.49Å; F740-G767 VanDerWaalsContact CD2-CA 3.42Å; F740-G767 VanDerWaalsContact CE2-CA 3.5Å; K763-G767 WeakPolarHBondContact O-CA 2.85Å; K763-G767 PolarHBondContact O-N 2.88Å; L764-G767 PolarHBondContact O-N 2.88Å; I765-G767 VanDerWaalsContact C-N 3.29Å; I765-G767 PolarHBondContact O-N 2.92Å; G767-K769 VanDerWaalsContact C-N 3.31Å; G767-K769 PolarHBondContact O-N 3.45Å; G767-A770 PolarHBondContact O-N 2.86Å; G767-A770 VanDerWaalsContact O-N 3.16Å; G767-A771 WeakPolarHBondContact O-CB 3.35Å; G767-A771 PolarHBondContact O-N 2.76Å
768	E	94.1	Very high	90.8	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-40.4	176.8	-170.7	176.2	143.9	0	0	111.3	F586 F588 I685 V686 L764 I765 A770 A771 F772	F586-E768 HydrophobicContact CD1-CB 3.99Å; F586-E768 HydrophobicContact CD1-CG 4.25Å; F586-E768 HydrophobicContact CE1-CB 4.04Å; F586-E768 HydrophobicContact CE1-CG 4.32Å; F588-E768 HydrophobicContact CE1-CB 4.38Å; I685-E768 HydrophobicContact CB-CG 4.08Å; I685-E768 HydrophobicContact CD1-CG 4Å; I685-E768 HydrophobicContact CG2-CG 4.21Å; V686-E768 HydrophobicContact CG2-CB 3.89Å; L764-E768 PolarHBondContact O-N 3.02Å; I765-E768 PolarHBondContact O-N 3.48Å; E768-A770 VanDerWaalsContact C-N 3.32Å; E768-A770 PolarHBondContact O-N 2.83Å; E768-A771 PolarHBondContact O-N 2.67Å; E768-F772 HydrophobicContact CG-CD2 4.18Å; E768-F772 HydrophobicContact CG-CE2 3.81Å; E768-F772 WeakPolarHBondContact O-CD2 3.48Å; E768-F772 PolarHBondContact O-N 2.84Å; E768-F772 VanDerWaalsContact O-N 3.07Å; E768-F772 WeakPolarHBondContact OE1-CE2 3.28Å
769	K	90.1	Very high	90.7	Very high	35 Å²	35	22.2 Å²	22.2	15%	0.152	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-35.8	175	-71.8	179.2	-173.9	-175.7	0	113	E473 N474 F586 H655 I765 N766 G767	E473-K769 VanDerWaalsContact O-CD 3.23Å; E473-K769 WeakPolarHBondContact O-CD 3.19Å; E473-K769 PolarHBondContact O-NZ 2.93Å; N474-K769 PolarHBondContact O-NZ 3.24Å; F586-K769 HydrophobicContact CE1-CG 4.28Å; F586-K769 HydrophobicContact CZ-CG 4.24Å; H655-K769 PolarHBondContact NE2-NZ 3.16Å; I765-K769 HydrophobicContact CG2-CD 4.19Å; I765-K769 WeakPolarHBondContact O-CG 3.48Å; I765-K769 PolarHBondContact O-N 2.9Å; N766-K769 PolarHBondContact O-N 2.95Å; G767-K769 VanDerWaalsContact C-N 3.31Å; G767-K769 PolarHBondContact O-N 3.45Å
770	A	90.3	Very high	90.5	Very high	3 Å²	3	27 Å²	27	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-76.3	-42.8	175.7	0	0	0	0	0	112.3	V737 F740 N766 G767 E768 F772 R773	V737-A770 HydrophobicContact CG1-CB 4.17Å; F740-A770 HydrophobicContact CB-CB 3.78Å; F740-A770 HydrophobicContact CD1-CB 3.98Å; F740-A770 HydrophobicContact CG-CB 4.15Å; N766-A770 WeakPolarHBondContact O-CB 3.19Å; N766-A770 PolarHBondContact O-N 2.99Å; G767-A770 PolarHBondContact O-N 2.86Å; G767-A770 VanDerWaalsContact O-N 3.16Å; E768-A770 VanDerWaalsContact C-N 3.32Å; E768-A770 PolarHBondContact O-N 2.83Å; A770-F772 PolarHBondContact O-N 2.74Å; A770-R773 VanDerWaalsContact O-CB 3.3Å; A770-R773 WeakPolarHBondContact O-CB 3.21Å; A770-R773 PolarHBondContact O-N 3.35Å
771	A	91.7	Very high	90.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.9	-33.5	174.7	0	0	0	0	0	111.9	I685 H713 I714 V737 G767 E768 R773 S774 F777	I685-A771 HydrophobicContact CG2-CB 3.61Å; H713-A771 HydrophobicContact CB-CB 4.28Å; I714-A771 HydrophobicContact CD1-CB 4.22Å; V737-A771 HydrophobicContact CG1-CB 4.48Å; V737-A771 HydrophobicContact CG2-CB 4.29Å; G767-A771 WeakPolarHBondContact O-CB 3.35Å; G767-A771 PolarHBondContact O-N 2.76Å; E768-A771 PolarHBondContact O-N 2.67Å; A771-R773 PolarHBondContact O-N 3.23Å; A771-R773 VanDerWaalsContact O-N 3.1Å; A771-S774 WeakPolarHBondContact O-CB 3.4Å; A771-S774 PolarHBondContact O-N 2.78Å; A771-S774 PolarHBondContact O-OG 2.79Å; A771-F777 VanDerWaalsContact O-CD2 3.3Å; A771-F777 WeakPolarHBondContact O-CD2 3.35Å
772	F	87.3	Confident	89.9	Confident	36 Å²	36	33.2 Å²	33.2	16%	0.158	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.3	171.5	-87.4	-58.6	0	0	0	115.6	I685 E768 A770 F777 R781	I685-F772 HydrophobicContact CD1-CE1 4.24Å; I685-F772 HydrophobicContact CD1-CE2 4.37Å; I685-F772 HydrophobicContact CD1-CZ 3.97Å; E768-F772 HydrophobicContact CG-CD2 4.18Å; E768-F772 HydrophobicContact CG-CE2 3.81Å; E768-F772 WeakPolarHBondContact O-CD2 3.48Å; E768-F772 PolarHBondContact O-N 2.84Å; E768-F772 VanDerWaalsContact O-N 3.07Å; E768-F772 WeakPolarHBondContact OE1-CE2 3.28Å; A770-F772 PolarHBondContact O-N 2.74Å; F772-F777 HydrophobicContact CD1-CB 4.14Å; F772-F777 HydrophobicContact CD1-CD1 4.48Å; F772-F777 HydrophobicContact CD1-CG 4.31Å; F772-F777 HydrophobicContact CE1-CD1 4.5Å; F772-R781 VanDerWaalsContact CD1-NH2 3.33Å; F772-R781 PolarHBondContact O-NH1 2.84Å
773	R	83.2	Confident	89.9	Confident	97 Å²	97	40.3 Å²	40.3	37%	0.366	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-15.9	170.1	-58	-169.9	-172.4	-175.5	9.9	112.9	P738 A770 A771 N1228 S1230	P738-R773 HydrophobicContact CG-CB 4.06Å; A770-R773 VanDerWaalsContact O-CB 3.3Å; A770-R773 WeakPolarHBondContact O-CB 3.21Å; A770-R773 PolarHBondContact O-N 3.35Å; A771-R773 PolarHBondContact O-N 3.23Å; A771-R773 VanDerWaalsContact O-N 3.1Å; R773-N1228 PolarHBondContact NH1-O 2.8Å; R773-N1228 PolarHBondContact NH2-O 3.43Å; R773-N1228 VanDerWaalsContact NH2-O 3.12Å; R773-S1230 PolarHBondContact NH2-OG 2.87Å
774	S	86	Confident	89.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.007	20%	0.203	C	C	.	.	S	Bend	trans	-58	149.2	-179.7	93.6	0	0	0	0	111.5	H713 S736 A771 V776 F777 A778	H713-S774 PolarHBondContact NE2-OG 2.64Å; S736-S774 WeakPolarHBondContact O-CA 3.45Å; S736-S774 WeakPolarHBondContact O-CB 3.46Å; S736-S774 WeakPolarHBondContact OG-CB 3.28Å; A771-S774 WeakPolarHBondContact O-CB 3.4Å; A771-S774 PolarHBondContact O-N 2.78Å; A771-S774 PolarHBondContact O-OG 2.79Å; S774-V776 PolarHBondContact O-N 3.15Å; S774-V776 PolarHBondContact OG-N 2.76Å; S774-F777 PolarHBondContact O-N 3.41Å; S774-F777 WeakPolarHBondContact OG-CD2 3.28Å; S774-A778 VanDerWaalsContact O-CB 3.27Å; S774-A778 WeakPolarHBondContact O-CB 3.41Å; S774-A778 PolarHBondContact O-N 2.95Å
775	P	86.6	Confident	89.7	Confident	68 Å²	68	42.6 Å²	42.6	44%	0.442	20%	0.203	S	C	.	.	H	α-helix	trans	-55.6	-31	-179.1	-25.8	35.1	0	0	0	113.1	F777 Q779	P775-F777 VanDerWaalsContact C-N 3.34Å; P775-F777 PolarHBondContact O-N 2.81Å; P775-Q779 WeakPolarHBondContact O-CB 3.42Å; P775-Q779 VanDerWaalsContact O-CG 3.26Å; P775-Q779 WeakPolarHBondContact O-CG 3.18Å; P775-Q779 PolarHBondContact O-N 2.93Å
776	V	84.4	Confident	89.8	Confident	60 Å²	60	45.2 Å²	45.2	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-65.2	-34.2	179.9	176.6	0	0	0	0	111.9	S774 K780	S774-V776 PolarHBondContact O-N 3.15Å; S774-V776 PolarHBondContact OG-N 2.76Å; V776-K780 VanDerWaalsContact CG1-NZ 3.26Å; V776-K780 WeakPolarHBondContact O-CD 3.36Å; V776-K780 WeakPolarHBondContact O-CE 3.38Å; V776-K780 WeakPolarHBondContact O-CG 3.46Å; V776-K780 PolarHBondContact O-NZ 3.31Å
777	F	86.9	Confident	89.9	Confident	25 Å²	25	51.2 Å²	51.2	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-99.3	-43.8	176.7	-65.1	-72.2	0	0	0	112.8	I685 H713 A771 F772 S774 P775 Q779 K780 R781	I685-F777 HydrophobicContact CD1-CE1 3.89Å; I685-F777 HydrophobicContact CD1-CE2 4.23Å; I685-F777 HydrophobicContact CD1-CZ 3.66Å; I685-F777 HydrophobicContact CG1-CE1 4.37Å; I685-F777 HydrophobicContact CG1-CE2 4.48Å; I685-F777 HydrophobicContact CG1-CZ 3.81Å; I685-F777 HydrophobicContact CG2-CE2 4.16Å; I685-F777 HydrophobicContact CG2-CZ 4.28Å; H713-F777 AromaticContact CD2-CE2 3.87Å; H713-F777 AromaticContact CE1-CE2 3.18Å; H713-F777 WeakPolarHBondContact CE1-CE2 3.41Å; H713-F777 AromaticContact CE1-CZ 3.63Å; H713-F777 AromaticContact CG-CE2 3.97Å; H713-F777 AromaticContact ND1-CE2 3.54Å; H713-F777 AromaticContact ND1-CZ 3.99Å; H713-F777 AromaticContact NE2-CD2 3.75Å; H713-F777 AromaticContact NE2-CE2 3.32Å; H713-F777 VanDerWaalsContact NE2-CE2 3.32Å; H713-F777 WeakPolarHBondContact NE2-CE2 3.36Å; A771-F777 VanDerWaalsContact O-CD2 3.3Å; A771-F777 WeakPolarHBondContact O-CD2 3.35Å; F772-F777 HydrophobicContact CD1-CB 4.14Å; F772-F777 HydrophobicContact CD1-CD1 4.48Å; F772-F777 HydrophobicContact CD1-CG 4.31Å; F772-F777 HydrophobicContact CE1-CD1 4.5Å; S774-F777 PolarHBondContact O-N 3.41Å; S774-F777 WeakPolarHBondContact OG-CD2 3.28Å; P775-F777 VanDerWaalsContact C-N 3.34Å; P775-F777 PolarHBondContact O-N 2.81Å; F777-Q779 VanDerWaalsContact C-N 3.34Å; F777-Q779 PolarHBondContact O-N 2.8Å; F777-K780 WeakPolarHBondContact O-CA 3.19Å; F777-K780 WeakPolarHBondContact O-CB 3.35Å; F777-K780 PolarHBondContact O-N 3.31Å; F777-R781 PolarHBondContact O-N 3.19Å
778	A	86.5	Confident	90	Very high	36 Å²	36	53.2 Å²	53.2	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-56.2	-44.3	-178	0	0	0	0	0	112.3	S774 K780 R781 Q782	S774-A778 VanDerWaalsContact O-CB 3.27Å; S774-A778 WeakPolarHBondContact O-CB 3.41Å; S774-A778 PolarHBondContact O-N 2.95Å; A778-K780 VanDerWaalsContact C-N 3.29Å; A778-K780 PolarHBondContact O-N 3.41Å; A778-R781 PolarHBondContact O-N 3.4Å; A778-Q782 VanDerWaalsContact O-CB 3.29Å; A778-Q782 WeakPolarHBondContact O-CB 3.14Å; A778-Q782 PolarHBondContact O-N 2.83Å
779	Q	89.7	Confident	90.1	Very high	90 Å²	90	52.8 Å²	52.8	42%	0.421	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-29.2	176.3	-68.6	-176.2	29.9	0	0	113.5	P775 F777 R783	P775-Q779 WeakPolarHBondContact O-CB 3.42Å; P775-Q779 VanDerWaalsContact O-CG 3.26Å; P775-Q779 WeakPolarHBondContact O-CG 3.18Å; P775-Q779 PolarHBondContact O-N 2.93Å; F777-Q779 VanDerWaalsContact C-N 3.34Å; F777-Q779 PolarHBondContact O-N 2.8Å; Q779-R783 WeakPolarHBondContact O-CD 3.21Å; Q779-R783 VanDerWaalsContact O-CG 3.24Å; Q779-R783 WeakPolarHBondContact O-CG 3.23Å; Q779-R783 PolarHBondContact O-N 3.09Å
780	K	89.4	Confident	90.4	Very high	102 Å²	102	53.6 Å²	53.6	44%	0.443	26%	0.259	S	S	.	.	H	α-helix	trans	-73.6	-48.6	176	-62.9	170.8	-172.5	137.7	0	109.6	V776 F777 A778 R783 T784	V776-K780 VanDerWaalsContact CG1-NZ 3.26Å; V776-K780 WeakPolarHBondContact O-CD 3.36Å; V776-K780 WeakPolarHBondContact O-CE 3.38Å; V776-K780 WeakPolarHBondContact O-CG 3.46Å; V776-K780 PolarHBondContact O-NZ 3.31Å; F777-K780 WeakPolarHBondContact O-CA 3.19Å; F777-K780 WeakPolarHBondContact O-CB 3.35Å; F777-K780 PolarHBondContact O-N 3.31Å; A778-K780 VanDerWaalsContact C-N 3.29Å; A778-K780 PolarHBondContact O-N 3.41Å; K780-R783 PolarHBondContact O-N 3.39Å; K780-T784 PolarHBondContact O-N 2.93Å; K780-T784 VanDerWaalsContact O-N 3.12Å; K780-T784 PolarHBondContact O-OG1 2.98Å; K780-T784 VanDerWaalsContact O-OG1 3.14Å
781	R	88.2	Confident	90.6	Very high	60 Å²	60	55.9 Å²	55.9	23%	0.226	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-49.1	175.6	-179.8	-178.4	-78.8	137.8	1.2	111.4	Q580 E581 F772 F777 A778 R783 T784 I785	Q580-R781 PolarHBondContact O-NE 3.1Å; E581-R781 PolarHBondContact O-NE 2.88Å; E581-R781 PolarHBondContact O-NH2 3.05Å; E581-R781 VanDerWaalsContact O-NH2 3.07Å; F772-R781 VanDerWaalsContact CD1-NH2 3.33Å; F772-R781 PolarHBondContact O-NH1 2.84Å; F777-R781 PolarHBondContact O-N 3.19Å; A778-R781 PolarHBondContact O-N 3.4Å; R781-R783 VanDerWaalsContact C-N 3.34Å; R781-R783 PolarHBondContact O-N 2.59Å; R781-T784 WeakPolarHBondContact O-CB 3.25Å; R781-T784 PolarHBondContact O-N 2.81Å; R781-T784 VanDerWaalsContact O-N 3.09Å; R781-I785 HydrophobicContact CG-CD1 3.63Å; R781-I785 HydrophobicContact CG-CG1 4.22Å; R781-I785 WeakPolarHBondContact O-CG1 3.29Å; R781-I785 PolarHBondContact O-N 3.05Å
782	Q	91	Very high	90.7	Very high	72 Å²	72	56.2 Å²	56.2	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-53.6	-46.5	177.6	164.8	160.9	70.1	0	0	112.5	K528 A778 T784 I785 E786	K528-Q782 HydrophobicContact CB-CG 4.38Å; K528-Q782 WeakPolarHBondContact O-CA 3.19Å; K528-Q782 WeakPolarHBondContact O-CB 3.16Å; K528-Q782 WeakPolarHBondContact O-CG 3.49Å; K528-Q782 PolarHBondContact O-NE2 2.91Å; A778-Q782 VanDerWaalsContact O-CB 3.29Å; A778-Q782 WeakPolarHBondContact O-CB 3.14Å; A778-Q782 PolarHBondContact O-N 2.83Å; Q782-T784 PolarHBondContact O-N 2.89Å; Q782-I785 PolarHBondContact O-N 3.15Å; Q782-E786 VanDerWaalsContact O-CB 3.25Å; Q782-E786 WeakPolarHBondContact O-CB 3.4Å; Q782-E786 PolarHBondContact O-N 2.83Å
783	R	92.7	Very high	90.9	Very high	149 Å²	149	54.5 Å²	54.5	56%	0.562	27%	0.273	S	S	*	.	H	α-helix	trans	-66.3	-36.4	178.1	-69.3	168.1	-167.3	149.5	13.3	112.4	Q779 K780 R781 M787	Q779-R783 WeakPolarHBondContact O-CD 3.21Å; Q779-R783 VanDerWaalsContact O-CG 3.24Å; Q779-R783 WeakPolarHBondContact O-CG 3.23Å; Q779-R783 PolarHBondContact O-N 3.09Å; K780-R783 PolarHBondContact O-N 3.39Å; R781-R783 VanDerWaalsContact C-N 3.34Å; R781-R783 PolarHBondContact O-N 2.59Å; R783-M787 WeakPolarHBondContact O-CB 3.3Å; R783-M787 PolarHBondContact O-N 3.47Å
784	T	93	Very high	91.2	Very high	50 Å²	50	53.5 Å²	53.5	31%	0.307	28%	0.277	S	S	.	.	H	α-helix	trans	-67.5	-46.9	175.5	-56.1	0	0	0	0	111.3	Q580 K780 R781 Q782 M787 L788	Q580-T784 HydrophobicContact CG-CG2 4.45Å; K780-T784 PolarHBondContact O-N 2.93Å; K780-T784 VanDerWaalsContact O-N 3.12Å; K780-T784 PolarHBondContact O-OG1 2.98Å; K780-T784 VanDerWaalsContact O-OG1 3.14Å; R781-T784 WeakPolarHBondContact O-CB 3.25Å; R781-T784 PolarHBondContact O-N 2.81Å; R781-T784 VanDerWaalsContact O-N 3.09Å; Q782-T784 PolarHBondContact O-N 2.89Å; T784-M787 WeakPolarHBondContact O-CB 3.44Å; T784-M787 PolarHBondContact O-N 2.79Å; T784-L788 HydrophobicContact CG2-CD1 4.22Å; T784-L788 WeakPolarHBondContact O-CG 3.31Å; T784-L788 PolarHBondContact O-N 2.99Å
785	I	93.6	Very high	91.5	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-42.5	177.2	-65.7	176.4	0	0	0	110.7	R527 L577 Q580 R781 Q782 M787 L788 L789	R527-I785 VanDerWaalsContact O-CG2 3.31Å; R527-I785 WeakPolarHBondContact O-CG2 3.28Å; L577-I785 HydrophobicContact CD2-CG2 4.3Å; Q580-I785 HydrophobicContact CB-CG1 4.16Å; R781-I785 HydrophobicContact CG-CD1 3.63Å; R781-I785 HydrophobicContact CG-CG1 4.22Å; R781-I785 WeakPolarHBondContact O-CG1 3.29Å; R781-I785 PolarHBondContact O-N 3.05Å; Q782-I785 PolarHBondContact O-N 3.15Å; I785-M787 VanDerWaalsContact C-N 3.31Å; I785-M787 PolarHBondContact O-N 2.73Å; I785-L788 PolarHBondContact O-N 3.01Å; I785-L789 HydrophobicContact CG2-CD1 3.65Å; I785-L789 HydrophobicContact CG2-CG 4.12Å; I785-L789 VanDerWaalsContact O-CB 3.31Å; I785-L789 WeakPolarHBondContact O-CB 3.38Å; I785-L789 VanDerWaalsContact O-CG 3.29Å; I785-L789 WeakPolarHBondContact O-CG 3.27Å; I785-L789 PolarHBondContact O-N 2.84Å
786	E	95.1	Very high	91.6	Very high	55 Å²	55	54.4 Å²	54.4	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-38.2	174.5	-172.5	171.1	-147.5	0	0	112.2	K528 Q782 N790	K528-E786 HydrophobicContact CB-CB 3.79Å; K528-E786 HydrophobicContact CB-CG 4.19Å; K528-E786 HydrophobicContact CD-CG 4.3Å; K528-E786 WeakPolarHBondContact CD-OE1 3.23Å; K528-E786 IonicContact NZ-OE1 2.58Å; Q782-E786 VanDerWaalsContact O-CB 3.25Å; Q782-E786 WeakPolarHBondContact O-CB 3.4Å; Q782-E786 PolarHBondContact O-N 2.83Å; E786-N790 WeakPolarHBondContact O-CB 3.16Å; E786-N790 PolarHBondContact O-N 2.81Å; E786-N790 PolarHBondContact O-ND2 3.03Å
787	M	95.4	Very high	91.3	Very high	126 Å²	126	52.5 Å²	52.5	62%	0.621	27%	0.268	S	S	*	.	H	α-helix	trans	-66.9	-46.7	175.4	-177	-176.6	71.2	0	0	111.8	R783 T784 I785 N790 A791	R783-M787 WeakPolarHBondContact O-CB 3.3Å; R783-M787 PolarHBondContact O-N 3.47Å; T784-M787 WeakPolarHBondContact O-CB 3.44Å; T784-M787 PolarHBondContact O-N 2.79Å; I785-M787 VanDerWaalsContact C-N 3.31Å; I785-M787 PolarHBondContact O-N 2.73Å; M787-N790 PolarHBondContact O-N 3.4Å; M787-A791 PolarHBondContact O-N 2.93Å
788	L	96	Very high	90.4	Very high	42 Å²	42	55.7 Å²	55.7	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-46.9	178.1	-69.8	171.1	0	0	0	111.6	L577 Q580 T784 I785 N790 A791 I792	L577-L788 HydrophobicContact CD2-CB 3.76Å; L577-L788 HydrophobicContact CD2-CD1 4.17Å; Q580-L788 HydrophobicContact CG-CD1 3.66Å; T784-L788 HydrophobicContact CG2-CD1 4.22Å; T784-L788 WeakPolarHBondContact O-CG 3.31Å; T784-L788 PolarHBondContact O-N 2.99Å; I785-L788 PolarHBondContact O-N 3.01Å; L788-N790 VanDerWaalsContact C-N 3.33Å; L788-N790 PolarHBondContact O-N 2.69Å; L788-A791 WeakPolarHBondContact O-CB 3.29Å; L788-A791 PolarHBondContact O-N 3.42Å; L788-A791 VanDerWaalsContact O-N 3.09Å; L788-I792 VanDerWaalsContact O-CG1 3.3Å; L788-I792 WeakPolarHBondContact O-CG1 3.31Å; L788-I792 PolarHBondContact O-N 3.04Å
789	L	96	Very high	89.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-39.4	176.6	-73.4	172.2	0	0	0	112.2	P503 L505 W526 R527 L577 I785 C793	P503-L789 HydrophobicContact CB-CB 3.97Å; P503-L789 HydrophobicContact CG-CB 3.77Å; L505-L789 HydrophobicContact CB-CD2 3.72Å; W526-L789 HydrophobicContact CB-CD2 3.98Å; R527-L789 VanDerWaalsContact C-CD1 3.4Å; L577-L789 HydrophobicContact CD1-CD2 3.72Å; L577-L789 HydrophobicContact CD2-CD2 4.26Å; L577-L789 HydrophobicContact CD2-CG 4.17Å; I785-L789 HydrophobicContact CG2-CD1 3.65Å; I785-L789 HydrophobicContact CG2-CG 4.12Å; I785-L789 VanDerWaalsContact O-CB 3.31Å; I785-L789 WeakPolarHBondContact O-CB 3.38Å; I785-L789 VanDerWaalsContact O-CG 3.29Å; I785-L789 WeakPolarHBondContact O-CG 3.27Å; I785-L789 PolarHBondContact O-N 2.84Å; L789-C793 VanDerWaalsContact O-CB 3.23Å; L789-C793 WeakPolarHBondContact O-CB 3.31Å; L789-C793 PolarHBondContact O-N 3.37Å; L789-C793 PolarHBondContact O-SG 3.47Å
790	N	95	Very high	87.8	Confident	51 Å²	51	53.2 Å²	53.2	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-36.6	173.2	-85	-65	0	0	0	112.6	Y497 E786 M787 L788 T794	Y497-N790 WeakPolarHBondContact CE1-OD1 3.44Å; Y497-N790 PolarHBondContact OH-OD1 2.93Å; E786-N790 WeakPolarHBondContact O-CB 3.16Å; E786-N790 PolarHBondContact O-N 2.81Å; E786-N790 PolarHBondContact O-ND2 3.03Å; M787-N790 PolarHBondContact O-N 3.4Å; L788-N790 VanDerWaalsContact C-N 3.33Å; L788-N790 PolarHBondContact O-N 2.69Å; N790-T794 VanDerWaalsContact O-CB 3.27Å; N790-T794 WeakPolarHBondContact O-CB 3.35Å; N790-T794 PolarHBondContact O-N 2.74Å; N790-T794 PolarHBondContact O-OG1 3.32Å
791	A	94.5	Very high	86.1	Confident	51 Å²	51	54.3 Å²	54.3	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-51.4	175	0	0	0	0	0	111.1	M787 L788 C793 T794 T795	M787-A791 PolarHBondContact O-N 2.93Å; L788-A791 WeakPolarHBondContact O-CB 3.29Å; L788-A791 PolarHBondContact O-N 3.42Å; L788-A791 VanDerWaalsContact O-N 3.09Å; A791-C793 PolarHBondContact O-N 2.7Å; A791-T794 PolarHBondContact O-N 2.92Å; A791-T794 VanDerWaalsContact O-N 3.11Å; A791-T795 PolarHBondContact O-N 3.36Å; A791-T795 PolarHBondContact O-OG1 2.85Å; A791-T795 VanDerWaalsContact O-OG1 3.05Å
792	I	93.5	Very high	84.3	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-55.9	-49.8	175.7	-66.4	162.7	0	0	0	110.8	L505 I565 D573 L577 L788 T794 T795 Y796	L505-I792 HydrophobicContact CD1-CG2 4.17Å; I565-I792 HydrophobicContact CD1-CG2 4.43Å; D573-I792 HydrophobicContact CB-CD1 3.77Å; D573-I792 HydrophobicContact CB-CG1 3.72Å; L577-I792 HydrophobicContact CD1-CD1 3.53Å; L577-I792 HydrophobicContact CD2-CD1 4.42Å; L577-I792 HydrophobicContact CG-CD1 3.93Å; L788-I792 VanDerWaalsContact O-CG1 3.3Å; L788-I792 WeakPolarHBondContact O-CG1 3.31Å; L788-I792 PolarHBondContact O-N 3.04Å; I792-T794 VanDerWaalsContact C-N 3.32Å; I792-T794 PolarHBondContact O-N 3.16Å; I792-T795 PolarHBondContact O-N 3.25Å; I792-Y796 HydrophobicContact CG2-CD2 3.88Å; I792-Y796 HydrophobicContact CG2-CE2 4.16Å; I792-Y796 VanDerWaalsContact O-CD2 3.27Å; I792-Y796 WeakPolarHBondContact O-CD2 3.47Å; I792-Y796 PolarHBondContact O-N 2.98Å; I792-Y796 VanDerWaalsContact O-N 3.11Å
793	C	91.6	Very high	82.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-41.3	177.3	-71.4	0	0	0	0	111.7	Y497 L789 A791 T797	Y497-C793 HydrophobicContact CE2-CB 3.69Å; L789-C793 VanDerWaalsContact O-CB 3.23Å; L789-C793 WeakPolarHBondContact O-CB 3.31Å; L789-C793 PolarHBondContact O-N 3.37Å; L789-C793 PolarHBondContact O-SG 3.47Å; A791-C793 PolarHBondContact O-N 2.7Å; C793-T797 WeakPolarHBondContact O-CB 3.34Å; C793-T797 PolarHBondContact O-N 2.92Å; C793-T797 VanDerWaalsContact O-N 3.12Å; C793-T797 PolarHBondContact O-OG1 3.1Å
794	T	91.2	Very high	79.9	Confident	76 Å²	76	53.5 Å²	53.5	47%	0.466	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-44.7	179.9	-58.9	0	0	0	0	111.7	N790 A791 I792 N798	N790-T794 VanDerWaalsContact O-CB 3.27Å; N790-T794 WeakPolarHBondContact O-CB 3.35Å; N790-T794 PolarHBondContact O-N 2.74Å; N790-T794 PolarHBondContact O-OG1 3.32Å; A791-T794 PolarHBondContact O-N 2.92Å; A791-T794 VanDerWaalsContact O-N 3.11Å; I792-T794 VanDerWaalsContact C-N 3.32Å; I792-T794 PolarHBondContact O-N 3.16Å; T794-N798 VanDerWaalsContact O-CG 3.31Å; T794-N798 PolarHBondContact O-ND2 2.88Å
795	T	91.9	Very high	77.8	Confident	67 Å²	67	56 Å²	56	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-64.2	179.6	-57.5	0	0	0	0	110.8	A791 I792 T797 N798 E799	A791-T795 PolarHBondContact O-N 3.36Å; A791-T795 PolarHBondContact O-OG1 2.85Å; A791-T795 VanDerWaalsContact O-OG1 3.05Å; I792-T795 PolarHBondContact O-N 3.25Å; T795-T797 PolarHBondContact O-N 3.04Å; T795-N798 PolarHBondContact O-N 3.26Å; T795-N798 VanDerWaalsContact O-N 3.16Å; T795-E799 PolarHBondContact O-N 2.73Å
796	Y	87.3	Confident	75.6	Confident	21 Å²	21	59.9 Å²	59.9	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-79.3	-16.4	-169	-56	-62.5	0	0	0	114.1	I565 N567 A570 D573 I792 N798 E799	I565-Y796 HydrophobicContact CD1-CD2 3.93Å; I565-Y796 HydrophobicContact CD1-CG 4.18Å; I565-Y796 HydrophobicContact CG1-CD2 4.45Å; I565-Y796 HydrophobicContact CG1-CG 4.19Å; I565-Y796 HydrophobicContact CG2-CD1 3.76Å; I565-Y796 HydrophobicContact CG2-CD2 4.18Å; I565-Y796 HydrophobicContact CG2-CE1 4.37Å; I565-Y796 HydrophobicContact CG2-CG 3.67Å; N567-Y796 HydrophobicContact CB-CD1 4.08Å; N567-Y796 HydrophobicContact CB-CE1 3.88Å; A570-Y796 WeakPolarHBondContact CA-OH 3.22Å; A570-Y796 HydrophobicContact CB-CD2 4.23Å; A570-Y796 HydrophobicContact CB-CE1 4.07Å; A570-Y796 HydrophobicContact CB-CE2 3.61Å; D573-Y796 WeakPolarHBondContact OD2-CE2 3.47Å; D573-Y796 PolarHBondContact OD2-OH 2.95Å; I792-Y796 HydrophobicContact CG2-CD2 3.88Å; I792-Y796 HydrophobicContact CG2-CE2 4.16Å; I792-Y796 VanDerWaalsContact O-CD2 3.27Å; I792-Y796 WeakPolarHBondContact O-CD2 3.47Å; I792-Y796 PolarHBondContact O-N 2.98Å; I792-Y796 VanDerWaalsContact O-N 3.11Å; Y796-N798 VanDerWaalsContact C-N 3.34Å; Y796-E799 WeakPolarHBondContact CD1-OE2 3.42Å
797	T	79.7	Confident	73.3	Confident	19 Å²	19	68 Å²	68	12%	0.117	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-38.1	167	-68.9	0	0	0	0	112	R563 C793 T795	R563-T797 PolarHBondContact NE-OG1 3.12Å; R563-T797 PolarHBondContact NH2-OG1 2.97Å; C793-T797 WeakPolarHBondContact O-CB 3.34Å; C793-T797 PolarHBondContact O-N 2.92Å; C793-T797 VanDerWaalsContact O-N 3.12Å; C793-T797 PolarHBondContact O-OG1 3.1Å; T795-T797 PolarHBondContact O-N 3.04Å
798	N	68.1	Low	71.2	Confident	92 Å²	92	67.9 Å²	67.9	49%	0.492	36%	0.362	S	S	.	.	H	α-helix	trans	-78.4	-37.6	-173.6	-71	-26.1	0	0	0	111.7	T794 T795 Y796 A800 N801	T794-N798 VanDerWaalsContact O-CG 3.31Å; T794-N798 PolarHBondContact O-ND2 2.88Å; T795-N798 PolarHBondContact O-N 3.26Å; T795-N798 VanDerWaalsContact O-N 3.16Å; Y796-N798 VanDerWaalsContact C-N 3.34Å; N798-A800 PolarHBondContact O-N 2.69Å; N798-N801 PolarHBondContact O-N 3.29Å
799	E	64	Low	68.8	Low	54 Å²	54	68.5 Å²	68.5	25%	0.252	37%	0.37	S	S	.	.	H	α-helix	trans	-53.8	-40.6	170.6	-67	-177.2	178.7	0	0	111.9	N567 T795 Y796 N801 N802	N567-E799 WeakPolarHBondContact CB-OE2 3.3Å; N567-E799 PolarHBondContact ND2-OE1 2.82Å; T795-E799 PolarHBondContact O-N 2.73Å; Y796-E799 WeakPolarHBondContact CD1-OE2 3.42Å; E799-N801 PolarHBondContact O-N 2.92Å; E799-N801 VanDerWaalsContact O-N 3.08Å; E799-N802 PolarHBondContact O-N 3.33Å
800	A	56.8	Low	66.7	Low	20 Å²	20	75.2 Å²	75.2	17%	0.165	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.5	-177.5	0	0	0	0	0	115	N798 Y806	N798-A800 PolarHBondContact O-N 2.69Å; A800-Y806 HydrophobicContact CB-CD1 4.2Å; A800-Y806 HydrophobicContact CB-CG 4.38Å; A800-Y806 WeakPolarHBondContact O-CB 3.16Å
801	N	53.3	Low	64.6	Low	126 Å²	126	76.7 Å²	76.7	67%	0.674	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-17.1	174.1	-67	-37.9	0	0	0	113.1	N798 E799 G803	N798-N801 PolarHBondContact O-N 3.29Å; E799-N801 PolarHBondContact O-N 2.92Å; E799-N801 VanDerWaalsContact O-N 3.08Å; N801-G803 PolarHBondContact O-N 2.89Å
802	N	51.1	Low	62.7	Low	143 Å²	143	77.2 Å²	77.2	77%	0.765	41%	0.41	S	S	*	.	S	Bend	trans	-92.8	16.2	-167	-75.6	-5.1	0	0	0	115.1	E799	E799-N802 PolarHBondContact O-N 3.33Å
803	G	46.6	Very low	60.9	Low	30 Å²	30	80 Å²	80	31%	0.309	43%	0.427	S	S	.	.			trans	-173.7	147.5	172.8	0	0	0	0	0	115.2	N801 I805 Y806	N801-G803 PolarHBondContact O-N 2.89Å; G803-I805 PolarHBondContact O-N 3.24Å; G803-I805 VanDerWaalsContact O-N 3.11Å; G803-Y806 WeakPolarHBondContact O-CB 3.43Å; G803-Y806 PolarHBondContact O-N 3.17Å
804	A	43.6	Very low	59.3	Low	91 Å²	91	80.3 Å²	80.3	75%	0.752	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-57.5	-28.4	-179.2	0	0	0	0	0	113.8	Y806 R807	A804-Y806 PolarHBondContact O-N 3.13Å; A804-R807 PolarHBondContact O-N 3.47Å
805	I	50.6	Low	57.5	Low	102 Å²	102	80.2 Å²	80.2	52%	0.523	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-61.6	-25.8	177.5	-60.7	175.1	0	0	0	112.2	L566 G803	L566-I805 HydrophobicContact CD1-CG2 4.44Å; G803-I805 PolarHBondContact O-N 3.24Å; G803-I805 VanDerWaalsContact O-N 3.11Å
806	Y	47.5	Very low	55.6	Low	84 Å²	84	78.8 Å²	78.8	33%	0.329	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-82.3	-7.8	-179.7	-66.5	-83.4	0	0	0	114.1	L566 A800 G803 A804 R808	L566-Y806 HydrophobicContact CB-CE1 4.14Å; L566-Y806 HydrophobicContact CD1-CD1 3.99Å; L566-Y806 HydrophobicContact CD1-CE1 4.14Å; L566-Y806 HydrophobicContact CG-CD1 4.3Å; L566-Y806 HydrophobicContact CG-CE1 4.28Å; A800-Y806 HydrophobicContact CB-CD1 4.2Å; A800-Y806 HydrophobicContact CB-CG 4.38Å; A800-Y806 WeakPolarHBondContact O-CB 3.16Å; G803-Y806 WeakPolarHBondContact O-CB 3.43Å; G803-Y806 PolarHBondContact O-N 3.17Å; A804-Y806 PolarHBondContact O-N 3.13Å; Y806-R808 PolarHBondContact O-N 3.28Å; Y806-R808 VanDerWaalsContact O-N 3.13Å
807	R	45.9	Very low	53.9	Low	226 Å²	226	79.3 Å²	79.3	85%	0.853	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-79	24.1	171.5	-68.1	-167.7	-179.9	-175	2	113.5	A804	A804-R807 PolarHBondContact O-N 3.47Å
808	R	50.5	Low	52.5	Low	122 Å²	122	87 Å²	87	46%	0.46	46%	0.457	S	S	.	.			trans	-60.1	139.2	171.3	-79.6	-172.4	-161.9	-142.8	2.4	109.8	Y806 D812 E826	Y806-R808 PolarHBondContact O-N 3.28Å; Y806-R808 VanDerWaalsContact O-N 3.13Å; R808-D812 WeakPolarHBondContact CB-OD2 3.31Å; R808-E826 IonicContact CZ-OE1 3.67Å; R808-E826 VanDerWaalsContact CZ-OE1 3.27Å; R808-E826 IonicContact NH1-OE1 2.74Å; R808-E826 PolarHBondContact NH1-OE1 3.21Å; R808-E826 IonicContact NH2-OE1 3.2Å; R808-E826 PolarHBondContact NH2-OE1 3.07Å
809	S	46	Very low	51.6	Low	56 Å²	56	88.7 Å²	88.7	39%	0.392	47%	0.466	S	S	.	.			trans	-86.2	156.2	-156.2	64.7	0	0	0	0	112.4	S811 D812	S809-S811 WeakPolarHBondContact CB-OG 3.47Å; S809-S811 PolarHBondContact O-N 3.37Å; S809-S811 PolarHBondContact OG-OG 2.79Å; S809-D812 WeakPolarHBondContact CA-OD1 3.21Å; S809-D812 PolarHBondContact N-OD1 3.12Å; S809-D812 WeakPolarHBondContact O-CB 3.37Å; S809-D812 PolarHBondContact O-N 2.97Å; S809-D812 PolarHBondContact OG-OD1 3.09Å
810	F	51.4	Low	50.8	Low	140 Å²	140	88 Å²	88	61%	0.614	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.2	174.7	-53.6	-69.2	0	0	0	113.8
811	S	51.4	Low	50.3	Low	83 Å²	83	94.4 Å²	94.4	58%	0.58	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.1	174.2	29.6	0	0	0	0	114.4	S809 V813	S809-S811 WeakPolarHBondContact CB-OG 3.47Å; S809-S811 PolarHBondContact O-N 3.37Å; S809-S811 PolarHBondContact OG-OG 2.79Å; S811-V813 PolarHBondContact O-N 2.93Å
812	D	54.3	Low	50.6	Low	62 Å²	62	90.6 Å²	90.6	33%	0.332	49%	0.491	S	S	.	.			trans	-56.2	123.8	-179.1	-78.6	43.2	0	0	0	110.2	R808 S809	R808-D812 WeakPolarHBondContact CB-OD2 3.31Å; S809-D812 WeakPolarHBondContact CA-OD1 3.21Å; S809-D812 PolarHBondContact N-OD1 3.12Å; S809-D812 WeakPolarHBondContact O-CB 3.37Å; S809-D812 PolarHBondContact O-N 2.97Å; S809-D812 PolarHBondContact OG-OD1 3.09Å
813	V	56.4	Low	51.5	Low	66 Å²	66	87.4 Å²	87.4	40%	0.4	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-65.3	148.1	178.3	169.4	0	0	0	0	109.8	A543 S811 V815	A543-V813 HydrophobicContact CB-CG1 3.45Å; A543-V813 VanDerWaalsContact CB-CG1 3.45Å; S811-V813 PolarHBondContact O-N 2.93Å; V813-V815 VanDerWaalsContact O-CG2 3.25Å; V813-V815 WeakPolarHBondContact O-CG2 3.32Å; V813-V815 PolarHBondContact O-N 2.78Å
814	V	58.6	Low	52.7	Low	7 Å²	7	90.6 Å²	90.6	4%	0.042	50%	0.495	C	S	.	.			trans	-66.3	89.3	165.6	-178.8	0	0	0	0	107.4	V508 Y521 L544 D816	V508-V814 HydrophobicContact CG1-CG1 4.06Å; V508-V814 HydrophobicContact CG1-CG2 4.29Å; Y521-V814 HydrophobicContact CD1-CG1 4.05Å; Y521-V814 HydrophobicContact CE1-CB 3.97Å; Y521-V814 HydrophobicContact CE1-CG1 3.62Å; L544-V814 HydrophobicContact CB-CG2 4.39Å; L544-V814 WeakPolarHBondContact O-CG2 3.32Å; L544-V814 PolarHBondContact O-N 2.75Å; V814-D816 PolarHBondContact O-N 3.24Å
815	V	53.6	Low	54.2	Low	74 Å²	74	94 Å²	94	45%	0.448	49%	0.493	S	S	.	.			trans	-60.3	126.8	-165.9	-173.5	0	0	0	0	111.3	V813 S817	V813-V815 VanDerWaalsContact O-CG2 3.25Å; V813-V815 WeakPolarHBondContact O-CG2 3.32Å; V813-V815 PolarHBondContact O-N 2.78Å; V815-S817 PolarHBondContact O-N 3.08Å; V815-S817 VanDerWaalsContact O-N 3.13Å
816	D	50.5	Low	55.3	Low	36 Å²	36	91.2 Å²	91.2	19%	0.193	48%	0.478	C	S	.	.			trans	-62.6	109.1	166.5	-86.5	-39.4	0	0	0	109.8	K510 Y538 V814 F818 N819	K510-D816 WeakPolarHBondContact CD-OD1 3.16Å; K510-D816 WeakPolarHBondContact CE-OD1 3.23Å; K510-D816 IonicContact NZ-OD1 2.73Å; K510-D816 PolarHBondContact NZ-OD1 3.12Å; Y538-D816 PolarHBondContact OH-OD2 3.21Å; V814-D816 PolarHBondContact O-N 3.24Å; D816-F818 PolarHBondContact O-N 2.85Å; D816-N819 HydrophobicContact CB-CB 3.99Å; D816-N819 PolarHBondContact O-N 3.2Å
817	S	52.5	Low	56.7	Low	33 Å²	33	90.2 Å²	90.2	23%	0.231	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-10.7	-176.2	-46.3	0	0	0	0	115.7	Y490 V815	Y490-S817 WeakPolarHBondContact CD1-OG 3.31Å; V815-S817 PolarHBondContact O-N 3.08Å; V815-S817 VanDerWaalsContact O-N 3.13Å
818	F	49	Very low	58.5	Low	179 Å²	179	82.7 Å²	82.7	79%	0.785	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-11.2	-171.2	-63.4	-73.6	0	0	0	114.9	D816	D816-F818 PolarHBondContact O-N 2.85Å
819	N	49.8	Very low	60	Low	128 Å²	128	80.1 Å²	80.1	68%	0.684	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-8.1	-174.8	-70.1	-11.2	0	0	0	114.2	D816	D816-N819 HydrophobicContact CB-CB 3.99Å; D816-N819 PolarHBondContact O-N 3.2Å
820	G	47.7	Very low	61.9	Low	40 Å²	40	78 Å²	78	41%	0.412	43%	0.432	S	S	.	.	S	Bend	trans	-93.1	146.1	174.1	0	0	0	0	0	112.3	T822	G820-T822 VanDerWaalsContact C-N 3.28Å; G820-T822 PolarHBondContact O-N 2.88Å
821	V	45.6	Very low	63.6	Low	155 Å²	155	73.8 Å²	73.8	94%	0.939	42%	0.416	S	S	*	.			trans	-70.4	87.7	165.8	-178.6	0	0	0	0	108.3
822	T	60.2	Low	65.4	Low	45 Å²	45	71 Å²	71	28%	0.276	40%	0.398	S	S	.	.			trans	-68.7	140.2	175.8	52.5	0	0	0	0	110	G820 Q827	G820-T822 VanDerWaalsContact C-N 3.28Å; G820-T822 PolarHBondContact O-N 2.88Å; T822-Q827 PolarHBondContact OG1-OE1 2.81Å
823	T	69.1	Low	67.2	Low	76 Å²	76	68.9 Å²	68.9	47%	0.466	39%	0.386	S	S	.	.			trans	-66.9	145.8	166.5	63.4	0	0	0	0	109	K825 E826 Q827	T823-K825 PolarHBondContact O-N 3.17Å; T823-E826 WeakPolarHBondContact CB-OE2 3.43Å; T823-E826 WeakPolarHBondContact CG2-OE2 3.4Å; T823-E826 PolarHBondContact N-OE2 2.89Å; T823-E826 CarbonylContact O-C 3.59Å; T823-E826 WeakPolarHBondContact O-CA 3.36Å; T823-E826 PolarHBondContact O-N 2.92Å; T823-E826 WeakPolarHBondContact OG1-CB 3.5Å; T823-E826 VanDerWaalsContact OG1-CG 3.3Å; T823-E826 WeakPolarHBondContact OG1-CG 3.29Å; T823-E826 PolarHBondContact OG1-N 2.99Å; T823-E826 PolarHBondContact OG1-OE2 3.09Å; T823-Q827 PolarHBondContact O-N 2.89Å
824	S	72.5	Confident	69	Low	97 Å²	97	67.7 Å²	67.7	68%	0.678	38%	0.377	S	S	*	.	H	α-helix	trans	-51.7	-33.7	178.4	168.5	0	0	0	0	113	Q827 S828	S824-Q827 PolarHBondContact O-N 2.89Å; S824-S828 WeakPolarHBondContact O-CB 3.38Å; S824-S828 PolarHBondContact O-N 2.97Å; S824-S828 PolarHBondContact O-OG 3.09Å
825	K	75.8	Confident	70.6	Confident	163 Å²	163	73.1 Å²	73.1	71%	0.709	40%	0.397	S	S	*	.	H	α-helix	trans	-68.4	-39.5	174.1	-174.4	172.6	-178.3	173.5	0	113.3	T823 R829	T823-K825 PolarHBondContact O-N 3.17Å; K825-R829 PolarHBondContact O-N 2.87Å
826	E	72.5	Confident	72.6	Confident	44 Å²	44	71 Å²	71	21%	0.206	38%	0.381	C	S	.	.	H	α-helix	trans	-70.3	-39.1	173	-75.4	166.2	132.9	0	0	111.5	R808 T823 R829 N830	R808-E826 IonicContact CZ-OE1 3.67Å; R808-E826 VanDerWaalsContact CZ-OE1 3.27Å; R808-E826 IonicContact NH1-OE1 2.74Å; R808-E826 PolarHBondContact NH1-OE1 3.21Å; R808-E826 IonicContact NH2-OE1 3.2Å; R808-E826 PolarHBondContact NH2-OE1 3.07Å; T823-E826 WeakPolarHBondContact CB-OE2 3.43Å; T823-E826 WeakPolarHBondContact CG2-OE2 3.4Å; T823-E826 PolarHBondContact N-OE2 2.89Å; T823-E826 CarbonylContact O-C 3.59Å; T823-E826 WeakPolarHBondContact O-CA 3.36Å; T823-E826 PolarHBondContact O-N 2.92Å; T823-E826 WeakPolarHBondContact OG1-CB 3.5Å; T823-E826 VanDerWaalsContact OG1-CG 3.3Å; T823-E826 WeakPolarHBondContact OG1-CG 3.29Å; T823-E826 PolarHBondContact OG1-N 2.99Å; T823-E826 PolarHBondContact OG1-OE2 3.09Å; E826-R829 PolarHBondContact O-N 2.8Å; E826-N830 WeakPolarHBondContact O-CB 3.3Å; E826-N830 PolarHBondContact O-N 2.93Å; E826-N830 PolarHBondContact O-OD1 3.47Å; E826-N830 VanDerWaalsContact O-OD1 3.04Å
827	Q	78.3	Confident	74.6	Confident	63 Å²	63	69.2 Å²	69.2	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-53.2	174.9	-168.4	59.4	41.7	0	0	111	T822 T823 S824 R829 N830 D831	T822-Q827 PolarHBondContact OG1-OE1 2.81Å; T823-Q827 PolarHBondContact O-N 2.89Å; S824-Q827 PolarHBondContact O-N 2.89Å; Q827-R829 PolarHBondContact O-N 3.14Å; Q827-R829 VanDerWaalsContact O-N 3.13Å; Q827-N830 CarbonylContact O-C 3.53Å; Q827-N830 WeakPolarHBondContact O-CA 3.34Å; Q827-N830 WeakPolarHBondContact O-CB 3.02Å; Q827-N830 PolarHBondContact O-N 3.35Å; Q827-D831 PolarHBondContact NE2-OD1 2.92Å; Q827-D831 PolarHBondContact O-N 2.99Å
828	S	82.3	Confident	76.6	Confident	67 Å²	67	71.7 Å²	71.7	47%	0.469	38%	0.379	S	S	.	.	H	α-helix	trans	-56.3	-34.5	178.8	-60.5	0	0	0	0	113.2	S824 A832	S824-S828 WeakPolarHBondContact O-CB 3.38Å; S824-S828 PolarHBondContact O-N 2.97Å; S824-S828 PolarHBondContact O-OG 3.09Å; S828-A832 WeakPolarHBondContact O-CB 3.21Å; S828-A832 PolarHBondContact O-N 3.13Å; S828-A832 VanDerWaalsContact O-N 3.08Å
829	R	82.4	Confident	78.8	Confident	68 Å²	68	65.2 Å²	65.2	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-71.9	-42.1	174.2	-177.3	-156.3	64.9	153.1	6.2	111.9	Y490 K825 E826 Q827 D831 A832 H833	Y490-R829 PolarHBondContact OH-NH2 3.46Å; K825-R829 PolarHBondContact O-N 2.87Å; E826-R829 PolarHBondContact O-N 2.8Å; Q827-R829 PolarHBondContact O-N 3.14Å; Q827-R829 VanDerWaalsContact O-N 3.13Å; R829-D831 VanDerWaalsContact C-N 3.34Å; R829-A832 PolarHBondContact O-N 3.43Å; R829-H833 PolarHBondContact O-N 2.89Å
830	N	86.2	Confident	80.8	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-40.3	176.4	-62.4	-4.6	0	0	0	110.7	Y490 E826 Q827 H833 I834	Y490-N830 HydrophobicContact CD2-CB 3.76Å; Y490-N830 HydrophobicContact CE2-CB 4Å; Y490-N830 WeakPolarHBondContact CE2-OD1 3.48Å; Y490-N830 HydrophobicContact CG-CB 4.46Å; E826-N830 WeakPolarHBondContact O-CB 3.3Å; E826-N830 PolarHBondContact O-N 2.93Å; E826-N830 PolarHBondContact O-OD1 3.47Å; E826-N830 VanDerWaalsContact O-OD1 3.04Å; Q827-N830 CarbonylContact O-C 3.53Å; Q827-N830 WeakPolarHBondContact O-CA 3.34Å; Q827-N830 WeakPolarHBondContact O-CB 3.02Å; Q827-N830 PolarHBondContact O-N 3.35Å; N830-H833 WeakPolarHBondContact O-CB 3.26Å; N830-H833 PolarHBondContact O-N 3.35Å; N830-I834 WeakPolarHBondContact O-CG1 3.4Å; N830-I834 PolarHBondContact O-N 3.11Å
831	D	87.7	Confident	82.8	Confident	52 Å²	52	60.4 Å²	60.4	28%	0.278	31%	0.314	S	S	.	.	H	α-helix	trans	-64.9	-39.1	175.4	-51	-32.3	0	0	0	111.5	Q827 R829 I834 R835	Q827-D831 PolarHBondContact NE2-OD1 2.92Å; Q827-D831 PolarHBondContact O-N 2.99Å; R829-D831 VanDerWaalsContact C-N 3.34Å; D831-I834 PolarHBondContact O-N 3.45Å; D831-R835 WeakPolarHBondContact O-CG 3.49Å; D831-R835 PolarHBondContact O-N 2.73Å
832	A	89.5	Confident	84.8	Confident	24 Å²	24	56.2 Å²	56.2	20%	0.198	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-41.9	174.2	0	0	0	0	0	112	S828 R829 I834 R835 Y836	S828-A832 WeakPolarHBondContact O-CB 3.21Å; S828-A832 PolarHBondContact O-N 3.13Å; S828-A832 VanDerWaalsContact O-N 3.08Å; R829-A832 PolarHBondContact O-N 3.43Å; A832-I834 VanDerWaalsContact C-N 3.35Å; A832-I834 PolarHBondContact O-N 3.33Å; A832-R835 PolarHBondContact O-N 2.88Å; A832-Y836 WeakPolarHBondContact O-CB 3.39Å; A832-Y836 PolarHBondContact O-N 2.9Å
833	H	91.8	Very high	86	Confident	18 Å²	18	57 Å²	57	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-45.7	173.6	-173.9	108.9	0	0	0	111.6	Y490 H491 F568 Q571 R829 N830 G837	Y490-H833 HydrophobicContact CD2-CB 4.29Å; H491-H833 AromaticContact CD2-NE2 3.88Å; H491-H833 AromaticContact CE1-NE2 3.32Å; H491-H833 PolarHBondContact CE1-NE2 2.86Å; H491-H833 VanDerWaalsContact CE1-NE2 3.32Å; H491-H833 AromaticContact CG-NE2 3.84Å; H491-H833 AromaticContact ND1-NE2 3.48Å; H491-H833 PolarHBondContact ND1-NE2 3.05Å; H491-H833 AromaticContact NE2-NE2 3.56Å; H491-H833 PolarHBondContact O-NE2 2.85Å; F568-H833 HydrophobicContact CB-CB 4.05Å; Q571-H833 PolarHBondContact NE2-O 2.84Å; Q571-H833 PolarHBondContact OE1-NE2 3.16Å; R829-H833 PolarHBondContact O-N 2.89Å; N830-H833 WeakPolarHBondContact O-CB 3.26Å; N830-H833 PolarHBondContact O-N 3.35Å; H833-G837 PolarHBondContact O-N 2.83Å
834	I	92.6	Very high	86.6	Confident	42 Å²	42	53.6 Å²	53.6	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-51	176.1	-70.8	164.3	0	0	0	111	N830 D831 A832 Y836 G837 Q838	N830-I834 WeakPolarHBondContact O-CG1 3.4Å; N830-I834 PolarHBondContact O-N 3.11Å; D831-I834 PolarHBondContact O-N 3.45Å; A832-I834 VanDerWaalsContact C-N 3.35Å; A832-I834 PolarHBondContact O-N 3.33Å; I834-Y836 PolarHBondContact O-N 3.47Å; I834-G837 PolarHBondContact O-N 3.01Å; I834-G837 VanDerWaalsContact O-N 3.16Å; I834-Q838 HydrophobicContact CG2-CG 4.38Å; I834-Q838 WeakPolarHBondContact O-CG 3.41Å; I834-Q838 PolarHBondContact O-N 3.25Å
835	R	93.2	Very high	86.8	Confident	121 Å²	121	52.4 Å²	52.4	46%	0.457	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-42.1	-179.9	-74.8	-171.2	-60.6	-88.6	-1.2	112.6	D831 A832 G837 Q838 M839	D831-R835 WeakPolarHBondContact O-CG 3.49Å; D831-R835 PolarHBondContact O-N 2.73Å; A832-R835 PolarHBondContact O-N 2.88Å; R835-G837 VanDerWaalsContact C-N 3.35Å; R835-Q838 PolarHBondContact O-N 3.02Å; R835-M839 WeakPolarHBondContact O-CB 3.43Å; R835-M839 PolarHBondContact O-N 3.37Å
836	Y	95.3	Very high	86.7	Confident	28 Å²	28	50.4 Å²	50.4	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-41.3	175.5	-171.2	-95.9	0	0	0	111.5	F568 E569 Q571 K572 A832 I834 M839 L840	F568-Y836 HydrophobicContact CD2-CD1 4.14Å; F568-Y836 AromaticContact CD2-CD2 3.9Å; F568-Y836 HydrophobicContact CD2-CD2 3.9Å; F568-Y836 HydrophobicContact CD2-CE2 4.45Å; F568-Y836 AromaticContact CD2-CG 3.71Å; F568-Y836 HydrophobicContact CD2-CG 3.71Å; F568-Y836 AromaticContact CE2-CD2 3.94Å; F568-Y836 HydrophobicContact CE2-CD2 3.94Å; F568-Y836 HydrophobicContact CE2-CE2 4.4Å; F568-Y836 HydrophobicContact CE2-CG 4.21Å; F568-Y836 WeakPolarHBondContact O-CD1 3.36Å; E569-Y836 HydrophobicContact CG-CE2 4.35Å; Q571-Y836 HydrophobicContact CB-CD1 4.27Å; Q571-Y836 HydrophobicContact CB-CE1 4.34Å; K572-Y836 HydrophobicContact CB-CE1 4.4Å; A832-Y836 WeakPolarHBondContact O-CB 3.39Å; A832-Y836 PolarHBondContact O-N 2.9Å; I834-Y836 PolarHBondContact O-N 3.47Å; Y836-M839 HydrophobicContact CD2-CE 3.69Å; Y836-M839 HydrophobicContact CE2-CE 3.65Å; Y836-M839 HydrophobicContact CG-CE 4.42Å; Y836-M839 PolarHBondContact O-N 2.81Å; Y836-L840 HydrophobicContact CD1-CD1 3.89Å; Y836-L840 HydrophobicContact CD1-CG 4.16Å; Y836-L840 HydrophobicContact CE1-CD1 3.6Å; Y836-L840 HydrophobicContact CE1-CD2 4.32Å; Y836-L840 HydrophobicContact CE1-CG 3.94Å; Y836-L840 WeakPolarHBondContact O-CG 3.34Å; Y836-L840 PolarHBondContact O-N 3.11Å
837	G	93.7	Very high	86.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-39.2	174	0	0	0	0	0	113.4	H833 I834 R835 K841	H833-G837 PolarHBondContact O-N 2.83Å; I834-G837 PolarHBondContact O-N 3.01Å; I834-G837 VanDerWaalsContact O-N 3.16Å; R835-G837 VanDerWaalsContact C-N 3.35Å; G837-K841 WeakPolarHBondContact O-CB 3.35Å; G837-K841 PolarHBondContact O-N 2.95Å
838	Q	92.6	Very high	86	Confident	84 Å²	84	55 Å²	55	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-45.6	172.8	-71.3	169.8	-27.8	0	0	111.4	I834 R835 K841 L842	I834-Q838 HydrophobicContact CG2-CG 4.38Å; I834-Q838 WeakPolarHBondContact O-CG 3.41Å; I834-Q838 PolarHBondContact O-N 3.25Å; R835-Q838 PolarHBondContact O-N 3.02Å; Q838-K841 PolarHBondContact O-N 2.84Å; Q838-L842 WeakPolarHBondContact O-CB 3.38Å; Q838-L842 PolarHBondContact O-N 3.5Å
839	M	95	Very high	85.1	Confident	43 Å²	43	54.7 Å²	54.7	21%	0.212	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-43.6	177.1	-176.5	-159.4	69.8	0	0	111.8	R835 Y836 N843 V1293	R835-M839 WeakPolarHBondContact O-CB 3.43Å; R835-M839 PolarHBondContact O-N 3.37Å; Y836-M839 HydrophobicContact CD2-CE 3.69Å; Y836-M839 HydrophobicContact CE2-CE 3.65Å; Y836-M839 HydrophobicContact CG-CE 4.42Å; Y836-M839 PolarHBondContact O-N 2.81Å; M839-N843 WeakPolarHBondContact O-CB 3.28Å; M839-N843 PolarHBondContact O-N 3.1Å; M839-N843 PolarHBondContact O-ND2 2.83Å; M839-V1293 HydrophobicContact CG-CG2 4.36Å
840	L	92.9	Very high	84.2	Confident	15 Å²	15	51.6 Å²	51.6	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-50.9	173	-73.3	179.1	0	0	0	111	L487 Q571 K572 Y836 L842 N843 T844	L487-L840 HydrophobicContact CD1-CB 4.14Å; L487-L840 HydrophobicContact CD2-CB 4.32Å; L487-L840 HydrophobicContact CD2-CD1 4.04Å; Q571-L840 HydrophobicContact CB-CD1 3.77Å; K572-L840 HydrophobicContact CB-CD1 4.2Å; K572-L840 HydrophobicContact CB-CD2 4.29Å; K572-L840 HydrophobicContact CG-CD2 4.3Å; Y836-L840 HydrophobicContact CD1-CD1 3.89Å; Y836-L840 HydrophobicContact CD1-CG 4.16Å; Y836-L840 HydrophobicContact CE1-CD1 3.6Å; Y836-L840 HydrophobicContact CE1-CD2 4.32Å; Y836-L840 HydrophobicContact CE1-CG 3.94Å; Y836-L840 WeakPolarHBondContact O-CG 3.34Å; Y836-L840 PolarHBondContact O-N 3.11Å; L840-L842 VanDerWaalsContact C-N 3.32Å; L840-L842 PolarHBondContact O-N 3.04Å; L840-N843 PolarHBondContact O-N 3.09Å; L840-N843 VanDerWaalsContact O-N 3.08Å; L840-T844 PolarHBondContact O-N 2.86Å; L840-T844 PolarHBondContact O-OG1 3.12Å; L840-T844 VanDerWaalsContact O-OG1 3.04Å
841	K	89.4	Confident	82.7	Confident	52 Å²	52	52.7 Å²	52.7	23%	0.226	26%	0.261	C	S	.	.	H	α-helix	trans	-56.4	-44	-179.2	-155.5	-175.5	-168.2	102.4	0	112	F483 K484 L487 G837 Q838 I845	F483-K841 HydrophobicContact CD2-CG 4.14Å; F483-K841 HydrophobicContact CE2-CB 4.34Å; F483-K841 HydrophobicContact CE2-CG 3.53Å; F483-K841 HydrophobicContact CZ-CG 3.84Å; F483-K841 PolarHBondContact O-NZ 2.96Å; K484-K841 PolarHBondContact O-NZ 2.9Å; L487-K841 HydrophobicContact CB-CB 4.16Å; L487-K841 HydrophobicContact CB-CD 4.39Å; L487-K841 HydrophobicContact CB-CG 4.26Å; L487-K841 HydrophobicContact CD1-CB 4.37Å; L487-K841 PolarHBondContact O-NZ 3.04Å; G837-K841 WeakPolarHBondContact O-CB 3.35Å; G837-K841 PolarHBondContact O-N 2.95Å; Q838-K841 PolarHBondContact O-N 2.84Å; K841-I845 WeakPolarHBondContact O-CD1 3.35Å; K841-I845 VanDerWaalsContact O-CG1 3.28Å; K841-I845 WeakPolarHBondContact O-CG1 3.44Å; K841-I845 PolarHBondContact O-N 3.07Å; K841-I845 VanDerWaalsContact O-N 3.08Å
842	L	87.2	Confident	81	Confident	68 Å²	68	52.9 Å²	52.9	36%	0.356	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-44.7	175.3	-173.8	102.1	0	0	0	111.9	Q838 L840 I845 I846 V1289	Q838-L842 WeakPolarHBondContact O-CB 3.38Å; Q838-L842 PolarHBondContact O-N 3.5Å; L840-L842 VanDerWaalsContact C-N 3.32Å; L840-L842 PolarHBondContact O-N 3.04Å; L842-I845 WeakPolarHBondContact O-CB 3.42Å; L842-I845 PolarHBondContact O-N 2.84Å; L842-I846 HydrophobicContact CD2-CD1 3.7Å; L842-I846 HydrophobicContact CG-CD1 3.78Å; L842-I846 HydrophobicContact CG-CG1 4.47Å; L842-I846 WeakPolarHBondContact O-CG1 3.23Å; L842-I846 PolarHBondContact O-N 3.01Å; L842-V1289 HydrophobicContact CD1-CG1 4.29Å; L842-V1289 HydrophobicContact CD2-CG1 3.92Å
843	N	86.4	Confident	79	Confident	61 Å²	61	52.3 Å²	52.3	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-42.9	178.6	-81.5	-57.7	0	0	0	112.3	M839 L840 I845 I846 R847	M839-N843 WeakPolarHBondContact O-CB 3.28Å; M839-N843 PolarHBondContact O-N 3.1Å; M839-N843 PolarHBondContact O-ND2 2.83Å; L840-N843 PolarHBondContact O-N 3.09Å; L840-N843 VanDerWaalsContact O-N 3.08Å; N843-I845 VanDerWaalsContact C-N 3.31Å; N843-I845 PolarHBondContact O-N 2.95Å; N843-I846 PolarHBondContact O-N 3.1Å; N843-R847 VanDerWaalsContact O-CG 3.29Å; N843-R847 WeakPolarHBondContact O-CG 3.46Å; N843-R847 PolarHBondContact O-N 3.02Å; N843-R847 VanDerWaalsContact O-N 3.13Å
844	T	81.3	Confident	76.9	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-38.1	175.2	-48.6	0	0	0	0	111.1	F483 L840 D849 A850	F483-T844 HydrophobicContact CD2-CG2 4.12Å; F483-T844 HydrophobicContact CE2-CG2 4.13Å; L840-T844 PolarHBondContact O-N 2.86Å; L840-T844 PolarHBondContact O-OG1 3.12Å; L840-T844 VanDerWaalsContact O-OG1 3.04Å; T844-D849 HydrophobicContact CG2-CB 3.61Å; T844-D849 WeakPolarHBondContact CG2-O 3.32Å; T844-D849 PolarHBondContact O-N 3.48Å; T844-D849 VanDerWaalsContact O-N 3.12Å; T844-A850 HydrophobicContact CG2-CB 3.91Å; T844-A850 PolarHBondContact O-N 2.96Å
845	I	77.2	Confident	74.5	Confident	71 Å²	71	61.6 Å²	61.6	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-49.3	172.6	-75.3	166	0	0	0	112.1	F483 K841 L842 N843 R847 G848 A850 T852	F483-I845 HydrophobicContact CE2-CG1 4.33Å; F483-I845 HydrophobicContact CZ-CD1 4.12Å; F483-I845 HydrophobicContact CZ-CG1 3.88Å; K841-I845 WeakPolarHBondContact O-CD1 3.35Å; K841-I845 VanDerWaalsContact O-CG1 3.28Å; K841-I845 WeakPolarHBondContact O-CG1 3.44Å; K841-I845 PolarHBondContact O-N 3.07Å; K841-I845 VanDerWaalsContact O-N 3.08Å; L842-I845 WeakPolarHBondContact O-CB 3.42Å; L842-I845 PolarHBondContact O-N 2.84Å; N843-I845 VanDerWaalsContact C-N 3.31Å; N843-I845 PolarHBondContact O-N 2.95Å; I845-R847 PolarHBondContact O-N 3.22Å; I845-G848 PolarHBondContact O-N 3.45Å; I845-A850 HydrophobicContact CB-CB 4.48Å; I845-A850 HydrophobicContact CG1-CB 3.8Å; I845-T852 HydrophobicContact CB-CG2 4.39Å; I845-T852 HydrophobicContact CG1-CG2 4.02Å; I845-T852 HydrophobicContact CG2-CG2 3.93Å
846	I	73.4	Confident	72	Confident	122 Å²	122	59.8 Å²	59.8	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-64.9	-27.2	-177	-72.1	169.3	0	0	0	112.2	L842 N843	L842-I846 HydrophobicContact CD2-CD1 3.7Å; L842-I846 HydrophobicContact CG-CD1 3.78Å; L842-I846 HydrophobicContact CG-CG1 4.47Å; L842-I846 WeakPolarHBondContact O-CG1 3.23Å; L842-I846 PolarHBondContact O-N 3.01Å; N843-I846 PolarHBondContact O-N 3.1Å
847	R	70.3	Confident	69.7	Low	174 Å²	174	60.3 Å²	60.3	66%	0.657	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-14.4	177.4	-70.3	173.6	-175.3	-172.9	0.3	114.9	N843 I845 D849	N843-R847 VanDerWaalsContact O-CG 3.29Å; N843-R847 WeakPolarHBondContact O-CG 3.46Å; N843-R847 PolarHBondContact O-N 3.02Å; N843-R847 VanDerWaalsContact O-N 3.13Å; I845-R847 PolarHBondContact O-N 3.22Å; R847-D849 HydrophobicContact CB-CB 4.2Å; R847-D849 WeakPolarHBondContact CB-OD2 3.39Å; R847-D849 WeakPolarHBondContact CD-OD2 3.44Å; R847-D849 IonicContact NH1-OD2 2.62Å; R847-D849 PolarHBondContact O-N 2.92Å
848	G	65	Low	67	Low	28 Å²	28	63.7 Å²	63.7	29%	0.289	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-4.8	-165.1	0	0	0	0	0	114.1	I845 A850	I845-G848 PolarHBondContact O-N 3.45Å; G848-A850 PolarHBondContact O-N 3.17Å
849	D	64.7	Low	64.6	Low	61 Å²	61	65.3 Å²	65.3	33%	0.326	37%	0.368	S	S	.	.			trans	-68.1	4	178.2	-65.5	-37.8	0	0	0	113.6	R480 T844 R847	R480-D849 VanDerWaalsContact CZ-O 3.29Å; R480-D849 PolarHBondContact NH1-O 2.72Å; R480-D849 PolarHBondContact NH2-O 2.9Å; T844-D849 HydrophobicContact CG2-CB 3.61Å; T844-D849 WeakPolarHBondContact CG2-O 3.32Å; T844-D849 PolarHBondContact O-N 3.48Å; T844-D849 VanDerWaalsContact O-N 3.12Å; R847-D849 HydrophobicContact CB-CB 4.2Å; R847-D849 WeakPolarHBondContact CB-OD2 3.39Å; R847-D849 WeakPolarHBondContact CD-OD2 3.44Å; R847-D849 IonicContact NH1-OD2 2.62Å; R847-D849 PolarHBondContact O-N 2.92Å
850	A	63	Low	61.8	Low	4 Å²	4	67.9 Å²	67.9	3%	0.033	39%	0.39	C	S	.	.	S	Bend	trans	-123.1	146.8	-176.5	0	0	0	0	0	112.4	F483 T844 I845 G848 T852	F483-A850 HydrophobicContact CD2-CB 4.49Å; F483-A850 HydrophobicContact CE1-CB 4Å; F483-A850 HydrophobicContact CE2-CB 3.7Å; F483-A850 HydrophobicContact CZ-CB 3.43Å; F483-A850 VanDerWaalsContact CZ-CB 3.43Å; T844-A850 HydrophobicContact CG2-CB 3.91Å; T844-A850 PolarHBondContact O-N 2.96Å; I845-A850 HydrophobicContact CB-CB 4.48Å; I845-A850 HydrophobicContact CG1-CB 3.8Å; G848-A850 PolarHBondContact O-N 3.17Å; A850-T852 VanDerWaalsContact C-N 3.25Å; A850-T852 PolarHBondContact O-N 3.49Å
851	P	55.4	Low	59.9	Low	34 Å²	34	70.5 Å²	70.5	22%	0.221	40%	0.399	C	S	.	.			trans	-72.2	75.9	173.9	31.5	-36.5	0	0	0	112	E476 F483 S853	E476-P851 HydrophobicContact CB-CB 4.12Å; E476-P851 HydrophobicContact CB-CG 4.29Å; F483-P851 HydrophobicContact CD1-CG 4.35Å; F483-P851 HydrophobicContact CE1-CG 4.31Å; P851-S853 PolarHBondContact O-N 3.13Å
852	T	51.3	Low	58.1	Low	55 Å²	55	77 Å²	77	34%	0.337	43%	0.427	S	S	.	.			trans	-79.9	5.5	163.7	54	0	0	0	0	112.5	I845 A850 S854 I855	I845-T852 HydrophobicContact CB-CG2 4.39Å; I845-T852 HydrophobicContact CG1-CG2 4.02Å; I845-T852 HydrophobicContact CG2-CG2 3.93Å; A850-T852 VanDerWaalsContact C-N 3.25Å; A850-T852 PolarHBondContact O-N 3.49Å; T852-S854 VanDerWaalsContact C-N 3.32Å; T852-S854 PolarHBondContact O-N 3.48Å; T852-I855 PolarHBondContact O-N 3.03Å; T852-I855 VanDerWaalsContact O-N 3.09Å
853	S	48	Very low	56.7	Low	12 Å²	12	78.8 Å²	78.8	8%	0.084	44%	0.437	C	S	.	.	H	α-helix	trans	-31.3	-52.4	-171.1	-40.3	0	0	0	0	116.3	E653 G654 P851 I855 T856 S857	E653-S853 VanDerWaalsContact O-CB 3.26Å; E653-S853 WeakPolarHBondContact O-CB 3.38Å; E653-S853 PolarHBondContact O-OG 3.24Å; G654-S853 WeakPolarHBondContact CA-OG 3.47Å; P851-S853 PolarHBondContact O-N 3.13Å; S853-I855 PolarHBondContact O-N 3.07Å; S853-I855 VanDerWaalsContact O-N 3.1Å; S853-T856 PolarHBondContact O-N 3.08Å; S853-T856 PolarHBondContact O-OG1 2.88Å; S853-S857 WeakPolarHBondContact O-CB 3.47Å; S853-S857 PolarHBondContact O-N 3.35Å; S853-S857 PolarHBondContact O-OG 2.79Å; S853-S857 VanDerWaalsContact O-OG 3.1Å
854	S	46.2	Very low	55.7	Low	100 Å²	100	80 Å²	80	70%	0.699	44%	0.443	S	S	*	.	H	α-helix	trans	-65.1	-19.1	-169.7	-47.6	0	0	0	0	113.7	T852	T852-S854 VanDerWaalsContact C-N 3.32Å; T852-S854 PolarHBondContact O-N 3.48Å
855	I	42.9	Very low	55.5	Low	155 Å²	155	80.9 Å²	80.9	80%	0.795	45%	0.446	S	S	*	.	H	α-helix	trans	-88.8	-27.6	178	-57.9	177.2	0	0	0	110.8	T852 S853	T852-I855 PolarHBondContact O-N 3.03Å; T852-I855 VanDerWaalsContact O-N 3.09Å; S853-I855 PolarHBondContact O-N 3.07Å; S853-I855 VanDerWaalsContact O-N 3.1Å
856	T	40.3	Very low	55.7	Low	84 Å²	84	79.6 Å²	79.6	52%	0.515	44%	0.438	S	S	.	.	H	α-helix	trans	-101.2	-22.2	-177.5	48.7	0	0	0	0	114.4	S853	S853-T856 PolarHBondContact O-N 3.08Å; S853-T856 PolarHBondContact O-OG1 2.88Å
857	S	46.9	Very low	56.3	Low	38 Å²	38	74 Å²	74	27%	0.266	41%	0.41	S	S	.	.	S	Bend	trans	-84	-18.3	-177.5	67.7	0	0	0	0	114.6	S853 Q859	S853-S857 WeakPolarHBondContact O-CB 3.47Å; S853-S857 PolarHBondContact O-N 3.35Å; S853-S857 PolarHBondContact O-OG 2.79Å; S853-S857 VanDerWaalsContact O-OG 3.1Å; S857-Q859 PolarHBondContact O-N 3.34Å
858	G	37.4	Very low	57	Low	71 Å²	71	70.8 Å²	70.8	73%	0.732	40%	0.4	S	S	*	.			trans	64.2	-12	168.2	0	0	0	0	0	118.1
859	Q	42.2	Very low	58	Low	119 Å²	119	72.1 Å²	72.1	56%	0.556	40%	0.401	S	S	*	.			trans	-106.4	97.8	-170.4	-68.1	179.7	-11.3	0	0	111.7	S857 R861	S857-Q859 PolarHBondContact O-N 3.34Å; Q859-R861 VanDerWaalsContact C-N 3.27Å; Q859-R861 PolarHBondContact O-N 2.86Å
860	S	37.6	Very low	58.8	Low	96 Å²	96	72.3 Å²	72.3	67%	0.671	40%	0.401	S	S	*	.			trans	-74.4	77.7	168.7	48.6	0	0	0	0	111.1
861	R	51.8	Low	59.6	Low	70 Å²	70	75.5 Å²	75.5	26%	0.264	41%	0.413	S	S	.	.			trans	-55.1	149.5	168.1	-76.2	177.7	166	161.2	-11.5	110.5	Y652 E653 E758 Q859 N863	Y652-R861 PolarHBondContact OH-NH1 2.86Å; Y652-R861 PolarHBondContact OH-NH2 2.6Å; E653-R861 IonicContact OE1-CZ 3.17Å; E653-R861 IonicContact OE1-NH1 3.78Å; E653-R861 PolarHBondContact OE1-NH1 2.9Å; E758-R861 IonicContact OE1-NH2 3.06Å; E758-R861 IonicContact OE2-CZ 3.38Å; E758-R861 IonicContact OE2-NE 2.73Å; E758-R861 IonicContact OE2-NH2 3.24Å; E758-R861 PolarHBondContact OE2-NH2 3.01Å; Q859-R861 VanDerWaalsContact C-N 3.27Å; Q859-R861 PolarHBondContact O-N 2.86Å; R861-N863 PolarHBondContact O-N 2.75Å
862	K	51.5	Low	60.7	Low	190 Å²	190	79.2 Å²	79.2	83%	0.826	43%	0.425	S	S	*	.			trans	-60.1	125.1	168.8	-74.4	179.1	178.1	172.6	0	108.6	L864	K862-L864 PolarHBondContact O-N 3.11Å
863	N	58.6	Low	61.5	Low	105 Å²	105	77 Å²	77	56%	0.561	41%	0.412	S	S	*	.			trans	-64.6	107.2	176.4	-74.7	-32.6	0	0	0	109.2	R861 W865 Q866	R861-N863 PolarHBondContact O-N 2.75Å; N863-W865 PolarHBondContact O-N 3.42Å; N863-W865 VanDerWaalsContact O-N 3.1Å; N863-Q866 HydrophobicContact CB-CB 4.02Å; N863-Q866 VanDerWaalsContact O-CB 3.23Å; N863-Q866 WeakPolarHBondContact O-CB 3.34Å; N863-Q866 PolarHBondContact O-N 2.78Å
864	L	65.2	Low	62	Low	85 Å²	85	81.4 Å²	81.4	45%	0.445	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.4	-178.2	-67.8	160.7	0	0	0	112.9	P469 K862	P469-L864 HydrophobicContact CB-CD1 3.64Å; P469-L864 HydrophobicContact CB-CD2 3.9Å; P469-L864 HydrophobicContact CB-CG 4.25Å; K862-L864 PolarHBondContact O-N 3.11Å
865	W	76.3	Confident	63	Low	25 Å²	25	83 Å²	83	10%	0.095	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	7.7	-178.2	-47.5	120	0	0	0	113.8	N863 P867 Y1212 F1214 I1223 V1232 H1233 I1386	N863-W865 PolarHBondContact O-N 3.42Å; N863-W865 VanDerWaalsContact O-N 3.1Å; W865-P867 WeakPolarHBondContact O-CD 3.25Å; W865-Y1212 AromaticContact CH2-CD1 3.79Å; W865-Y1212 HydrophobicContact CH2-CD1 3.79Å; W865-Y1212 AromaticContact CH2-CD2 3.76Å; W865-Y1212 HydrophobicContact CH2-CD2 3.76Å; W865-Y1212 AromaticContact CH2-CE1 3.8Å; W865-Y1212 HydrophobicContact CH2-CE1 3.8Å; W865-Y1212 AromaticContact CH2-CE2 3.77Å; W865-Y1212 HydrophobicContact CH2-CE2 3.77Å; W865-Y1212 AromaticContact CH2-CG 3.77Å; W865-Y1212 HydrophobicContact CH2-CG 3.77Å; W865-Y1212 AromaticContact CH2-CZ 3.8Å; W865-Y1212 AromaticContact CZ2-CD1 3.99Å; W865-Y1212 HydrophobicContact CZ2-CD1 3.99Å; W865-Y1212 AromaticContact CZ2-CE1 3.79Å; W865-Y1212 HydrophobicContact CZ2-CE1 3.79Å; W865-Y1212 HydrophobicContact CZ2-CE2 4.49Å; W865-Y1212 HydrophobicContact CZ2-CG 4.43Å; W865-F1214 HydrophobicContact CE3-CE1 4.23Å; W865-F1214 HydrophobicContact CE3-CZ 4.13Å; W865-F1214 HydrophobicContact CH2-CZ 4.37Å; W865-F1214 HydrophobicContact CZ3-CE1 4.25Å; W865-F1214 AromaticContact CZ3-CZ 3.7Å; W865-F1214 HydrophobicContact CZ3-CZ 3.7Å; W865-I1223 HydrophobicContact CB-CD1 4Å; W865-I1223 HydrophobicContact CD2-CD1 3.6Å; W865-I1223 HydrophobicContact CE3-CD1 4Å; W865-I1223 HydrophobicContact CG-CD1 3.59Å; W865-I1223 HydrophobicContact CH2-CG2 4.34Å; W865-I1223 HydrophobicContact CZ2-CG2 4.12Å; W865-V1232 HydrophobicContact CZ2-CG1 4.13Å; W865-H1233 AromaticContact CD1-CD2 3.45Å; W865-H1233 VanDerWaalsContact CD1-CD2 3.45Å; W865-H1233 AromaticContact CD1-CG 3.91Å; W865-H1233 AromaticContact CG-CD2 3.97Å; W865-I1386 HydrophobicContact CE3-CG2 4.27Å
866	Q	80.8	Confident	64.4	Low	43 Å²	43	76.2 Å²	76.2	20%	0.201	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-59.1	117	-176.7	-179.9	169.1	-15.5	0	0	111.2	N863 K868 D1259 Y1260	N863-Q866 HydrophobicContact CB-CB 4.02Å; N863-Q866 VanDerWaalsContact O-CB 3.23Å; N863-Q866 WeakPolarHBondContact O-CB 3.34Å; N863-Q866 PolarHBondContact O-N 2.78Å; Q866-K868 PolarHBondContact O-N 3.07Å; Q866-D1259 PolarHBondContact NE2-OD1 2.56Å; Q866-Y1260 PolarHBondContact NE2-O 2.91Å
867	P	86.1	Confident	66.4	Low	4 Å²	4	76 Å²	76	3%	0.026	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-69.4	124.8	175.4	-20.6	36.4	0	0	0	110.3	W865 M1235 F1251 L1258 D1259 Y1384	W865-P867 WeakPolarHBondContact O-CD 3.25Å; P867-M1235 HydrophobicContact CG-CE 3.65Å; P867-M1235 HydrophobicContact CG-SD 3.49Å; P867-M1235 WeakPolarHBondContact CG-SD 3.49Å; P867-F1251 HydrophobicContact CB-CE1 3.85Å; P867-F1251 HydrophobicContact CB-CZ 3.69Å; P867-F1251 HydrophobicContact CG-CE1 4.08Å; P867-F1251 HydrophobicContact CG-CZ 3.73Å; P867-L1258 HydrophobicContact CB-CB 4.1Å; P867-L1258 HydrophobicContact CG-CB 4.02Å; P867-L1258 HydrophobicContact CG-CD1 4.39Å; P867-D1259 WeakPolarHBondContact O-CA 3.41Å; P867-D1259 WeakPolarHBondContact O-CB 3.48Å; P867-D1259 VanDerWaalsContact O-CG 3.31Å; P867-Y1384 HydrophobicContact CB-CD1 3.65Å; P867-Y1384 HydrophobicContact CB-CE1 4.38Å; P867-Y1384 HydrophobicContact CB-CG 4.02Å
868	K	85.4	Confident	68.3	Low	107 Å²	107	74.6 Å²	74.6	47%	0.465	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.6	169.2	-65.9	177.4	179.9	172.9	0	109	Q866 I870 D1259 Y1384 K1385 P1387	Q866-K868 PolarHBondContact O-N 3.07Å; K868-I870 PolarHBondContact O-N 2.89Å; K868-D1259 WeakPolarHBondContact CA-OD2 3.44Å; K868-Y1384 CarbonylContact O-C 3.55Å; K868-Y1384 WeakPolarHBondContact O-CA 3.34Å; K868-K1385 PolarHBondContact N-O 2.95Å; K868-K1385 PolarHBondContact O-N 3.45Å; K868-P1387 HydrophobicContact CD-CG 4.15Å
869	L	86.1	Confident	70.7	Confident	56 Å²	56	73.9 Å²	73.9	29%	0.293	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.5	173.6	-178.2	67.8	0	0	0	109.8	K872 D1259 F1382 Y1384	L869-K872 HydrophobicContact CD2-CG 4.04Å; L869-D1259 PolarHBondContact N-OD2 3.42Å; L869-F1382 HydrophobicContact CD1-CB 3.84Å; L869-F1382 HydrophobicContact CD1-CD1 3.97Å; L869-F1382 HydrophobicContact CD1-CG 4.37Å; L869-Y1384 HydrophobicContact CB-CD1 4.17Å; L869-Y1384 HydrophobicContact CB-CE1 3.87Å; L869-Y1384 HydrophobicContact CD1-CD1 4.19Å; L869-Y1384 HydrophobicContact CD1-CE1 3.82Å; L869-Y1384 HydrophobicContact CD1-CE2 4.45Å; L869-Y1384 HydrophobicContact CG-CE1 4.44Å
870	I	82.2	Confident	73.1	Confident	65 Å²	65	69.1 Å²	69.1	33%	0.333	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-50.4	171.5	-62.3	166.6	0	0	0	110.2	K868 Y1250 I1383 K1385	K868-I870 PolarHBondContact O-N 2.89Å; I870-Y1250 HydrophobicContact CD1-CD1 3.55Å; I870-Y1250 HydrophobicContact CD1-CE1 3.5Å; I870-Y1250 VanDerWaalsContact CD1-CE1 3.5Å; I870-I1383 HydrophobicContact CB-CG2 4.36Å; I870-I1383 HydrophobicContact CD1-CG2 4.4Å; I870-I1383 PolarHBondContact N-O 3.12Å; I870-K1385 HydrophobicContact CD1-CB 3.41Å; I870-K1385 VanDerWaalsContact CD1-CB 3.41Å; I870-K1385 HydrophobicContact CD1-CD 3.99Å; I870-K1385 HydrophobicContact CD1-CG 4.35Å; I870-K1385 HydrophobicContact CG1-CB 4.01Å
871	Y	79.4	Confident	75.7	Confident	72 Å²	72	64.8 Å²	64.8	28%	0.282	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.3	-169.4	-160.6	-94.2	0	0	0	113.3	C873 F899 P905 I1383	Y871-C873 HydrophobicContact CD1-CB 4.39Å; Y871-F899 HydrophobicContact CD1-CD1 4.16Å; Y871-F899 AromaticContact CD1-CE1 3.53Å; Y871-F899 HydrophobicContact CD1-CE1 3.53Å; Y871-F899 HydrophobicContact CD1-CZ 4.49Å; Y871-F899 AromaticContact CD2-CD1 3.89Å; Y871-F899 HydrophobicContact CD2-CD1 3.89Å; Y871-F899 HydrophobicContact CD2-CE1 4.03Å; Y871-F899 AromaticContact CE1-CE1 3.74Å; Y871-F899 HydrophobicContact CE1-CE1 3.74Å; Y871-F899 HydrophobicContact CE2-CD1 4.29Å; Y871-F899 HydrophobicContact CE2-CE1 4.21Å; Y871-F899 AromaticContact CG-CD1 3.83Å; Y871-F899 HydrophobicContact CG-CD1 3.83Å; Y871-F899 AromaticContact CG-CE1 3.7Å; Y871-F899 HydrophobicContact CG-CE1 3.7Å; Y871-P905 HydrophobicContact CE1-CG 4.12Å; Y871-P905 HydrophobicContact CE2-CG 3.65Å; Y871-P905 VanDerWaalsContact CZ-CG 3.43Å; Y871-P905 WeakPolarHBondContact OH-CD 3.21Å; Y871-P905 VanDerWaalsContact OH-CG 3.32Å; Y871-P905 WeakPolarHBondContact OH-CG 3.11Å; Y871-I1383 PolarHBondContact N-O 2.85Å; Y871-I1383 PolarHBondContact O-N 3.16Å
872	K	77.9	Confident	77.7	Confident	111 Å²	111	62 Å²	62	48%	0.483	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	97.5	171.5	-60.1	-165.2	173.4	-168.2	0	109.1	L869 E1256 F1382	L869-K872 HydrophobicContact CD2-CG 4.04Å; K872-E1256 IonicContact NZ-OE1 2.75Å; K872-E1256 PolarHBondContact NZ-OE1 3.28Å; K872-F1382 HydrophobicContact CB-CD1 4.32Å; K872-F1382 HydrophobicContact CB-CE1 4.26Å; K872-F1382 HydrophobicContact CD-CD1 4.46Å; K872-F1382 HydrophobicContact CD-CE1 3.94Å; K872-F1382 HydrophobicContact CG-CD1 3.9Å; K872-F1382 HydrophobicContact CG-CE1 3.85Å
873	C	68.9	Low	79.6	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	126	-177.3	-166.2	0	0	0	0	111.4	Y871 Q875 I878 N1381	Y871-C873 HydrophobicContact CD1-CB 4.39Å; C873-Q875 PolarHBondContact O-N 2.94Å; C873-I878 HydrophobicContact CB-CD1 3.98Å; C873-N1381 VanDerWaalsContact CA-O 3.31Å; C873-N1381 WeakPolarHBondContact CA-O 3.37Å; C873-N1381 HydrophobicContact CB-CB 4.16Å; C873-N1381 VanDerWaalsContact CB-O 3.23Å; C873-N1381 WeakPolarHBondContact CB-O 3.43Å; C873-N1381 PolarHBondContact N-O 3.23Å; C873-N1381 PolarHBondContact O-N 3.14Å
874	T	58.5	Low	81	Confident	104 Å²	104	50.9 Å²	50.9	64%	0.638	25%	0.25	S	C	*	.			trans	-79.3	103.4	-172.5	48.6	0	0	0	0	112	S876	T874-S876 PolarHBondContact O-N 3.09Å; T874-S876 PolarHBondContact O-OG 3.33Å
875	Q	66.2	Low	81.7	Confident	133 Å²	133	52.9 Å²	52.9	62%	0.621	26%	0.261	S	S	*	.	S	Bend	trans	55.9	5.4	164.5	-62.9	-176.3	-15.1	0	0	117.7	C873 S1378	C873-Q875 PolarHBondContact O-N 2.94Å; Q875-S1378 WeakPolarHBondContact CG-OG 3.49Å; Q875-S1378 PolarHBondContact NE2-OG 3.18Å; Q875-S1378 VanDerWaalsContact NE2-OG 3.16Å
876	S	73.2	Confident	81.8	Confident	13 Å²	13	58.9 Å²	58.9	9%	0.091	29%	0.29	C	S	.	.			trans	-111.1	140.2	-170.9	-52.4	0	0	0	0	110.6	T874 Q894 N1381	T874-S876 PolarHBondContact O-N 3.09Å; T874-S876 PolarHBondContact O-OG 3.33Å; S876-Q894 WeakPolarHBondContact OG-CG 3.23Å; S876-N1381 PolarHBondContact O-ND2 3.35Å
877	E	81.7	Confident	82	Confident	79 Å²	79	59.2 Å²	59.2	37%	0.369	29%	0.292	S	S	.	.			trans	-69.3	133	172.2	-168.1	172.1	-153.5	0	0	110.3	T892 E893 R1241	E877-T892 VanDerWaalsContact O-CA 3.28Å; E877-T892 WeakPolarHBondContact O-CA 3.29Å; E877-T892 WeakPolarHBondContact O-CB 3.39Å; E877-E893 HydrophobicContact CB-CG 4.3Å; E877-E893 PolarHBondContact O-N 2.78Å; E877-R1241 IonicContact OE1-CZ 3.44Å; E877-R1241 IonicContact OE1-NH1 3.36Å; E877-R1241 PolarHBondContact OE1-NH1 2.67Å; E877-R1241 IonicContact OE1-NH2 3.58Å; E877-R1241 PolarHBondContact OE1-NH2 2.66Å
878	I	86.7	Confident	82.1	Confident	9 Å²	9	59.4 Å²	59.4	5%	0.046	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.7	173.3	-71	165.7	0	0	0	108.2	C873 V890 T892 T1252 N1381 I1383	C873-I878 HydrophobicContact CB-CD1 3.98Å; I878-V890 HydrophobicContact CB-CG1 4.34Å; I878-V890 HydrophobicContact CG1-CG1 4.15Å; I878-V890 HydrophobicContact CG2-CG1 3.4Å; I878-T892 HydrophobicContact CG1-CG2 4.01Å; I878-T1252 HydrophobicContact CB-CG2 3.86Å; I878-T1252 HydrophobicContact CD1-CG2 3.54Å; I878-T1252 HydrophobicContact CG1-CG2 4.3Å; I878-T1252 HydrophobicContact CG2-CG2 3.64Å; I878-N1381 HydrophobicContact CD1-CB 4.3Å; I878-I1383 HydrophobicContact CD1-CD1 3.84Å; I878-I1383 HydrophobicContact CD1-CG1 3.59Å
879	I	89.4	Confident	82.5	Confident	55 Å²	55	54.4 Å²	54.4	28%	0.282	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-46.3	-167.7	-51.2	174.6	0	0	0	111.2	S891 E893 K916	I879-S891 PolarHBondContact N-O 3.1Å; I879-E893 HydrophobicContact CD1-CG 4.45Å; I879-K916 HydrophobicContact CG2-CB 4.47Å; I879-K916 HydrophobicContact CG2-CD 4.15Å
880	C	92.1	Very high	82.7	Confident	19 Å²	19	51.7 Å²	51.7	13%	0.128	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	169.1	178.8	58.5	0	0	0	0	110.9	V890 S891	C880-V890 CarbonylContact O-C 3.6Å; C880-V890 WeakPolarHBondContact O-CA 3.48Å; C880-S891 PolarHBondContact O-N 3.27Å
881	G	92.7	Very high	83.2	Confident	6 Å²	6	48.7 Å²	48.7	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	167.4	175.4	0	0	0	0	0	113.7	I889 I1243	G881-I889 CarbonylContact C-O 3.5Å; G881-I889 WeakPolarHBondContact CA-O 3.36Å; G881-I1243 VanDerWaalsContact CA-CG2 3.46Å
882	D	93.8	Very high	83.8	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.053	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	166.7	176.1	-165.6	27.1	0	0	0	111.8	I889 L918 V920 T1244 K1246	D882-I889 PolarHBondContact N-O 3.34Å; D882-I889 PolarHBondContact O-N 2.85Å; D882-L918 HydrophobicContact CB-CD1 3.76Å; D882-V920 HydrophobicContact CB-CG2 4.38Å; D882-V920 WeakPolarHBondContact OD2-CB 3.26Å; D882-V920 PolarHBondContact OD2-N 2.93Å; D882-T1244 WeakPolarHBondContact OD1-CB 3.18Å; D882-T1244 PolarHBondContact OD1-OG1 3.03Å; D882-K1246 WeakPolarHBondContact OD1-CB 3.49Å; D882-K1246 WeakPolarHBondContact OD1-CD 3.39Å; D882-K1246 IonicContact OD1-NZ 2.61Å; D882-K1246 WeakPolarHBondContact OD2-CD 3.36Å; D882-K1246 IonicContact OD2-NZ 3.85Å; D882-K1246 PolarHBondContact OD2-NZ 3.21Å
883	V	90.3	Very high	84.2	Confident	13 Å²	13	45.8 Å²	45.8	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.9	-179.7	174.9	0	0	0	0	112.9	Q887 L888 T1244 K1246 Y1250	V883-Q887 CarbonylContact C-O 3.56Å; V883-Q887 VanDerWaalsContact CA-O 3.32Å; V883-Q887 WeakPolarHBondContact CA-O 3.37Å; V883-L888 HydrophobicContact CG2-CD1 3.77Å; V883-T1244 HydrophobicContact CG2-CG2 4.02Å; V883-K1246 HydrophobicContact CB-CB 4.32Å; V883-K1246 HydrophobicContact CB-CD 4.26Å; V883-K1246 HydrophobicContact CB-CG 4.38Å; V883-K1246 WeakPolarHBondContact O-CD 3.5Å; V883-K1246 WeakPolarHBondContact O-CE 3.02Å; V883-K1246 PolarHBondContact O-NZ 3.25Å; V883-Y1250 HydrophobicContact CG2-CD2 4.17Å; V883-Y1250 HydrophobicContact CG2-CE2 3.67Å
884	W	87.7	Confident	85.1	Confident	49 Å²	49	49.7 Å²	49.7	19%	0.186	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	122.7	169.2	173.5	47.9	0	0	0	109.5	E886 Q887 I889 V920 L943 T947	W884-E886 PolarHBondContact O-N 3.35Å; W884-Q887 PolarHBondContact N-O 3.37Å; W884-Q887 WeakPolarHBondContact O-CA 3.19Å; W884-Q887 VanDerWaalsContact O-CB 3.25Å; W884-Q887 WeakPolarHBondContact O-CB 3.49Å; W884-Q887 PolarHBondContact O-N 3.12Å; W884-I889 HydrophobicContact CB-CD1 4.09Å; W884-I889 HydrophobicContact CE3-CD1 4.18Å; W884-V920 HydrophobicContact CB-CG1 4.18Å; W884-V920 HydrophobicContact CB-CG2 4.43Å; W884-L943 HydrophobicContact CD2-CB 4.18Å; W884-L943 HydrophobicContact CD2-CD1 4.04Å; W884-L943 HydrophobicContact CD2-CD2 3.92Å; W884-L943 HydrophobicContact CD2-CG 4.27Å; W884-L943 HydrophobicContact CE3-CD2 4.09Å; W884-L943 HydrophobicContact CG-CD1 3.84Å; W884-L943 HydrophobicContact CG-CD2 4.14Å; W884-L943 HydrophobicContact CG-CG 4.49Å; W884-L943 HydrophobicContact CH2-CB 4.01Å; W884-L943 HydrophobicContact CZ2-CB 3.64Å; W884-L943 HydrophobicContact CZ3-CB 4.43Å; W884-T947 HydrophobicContact CH2-CG2 4.11Å
885	D	80	Confident	86.6	Confident	127 Å²	127	44.8 Å²	44.8	68%	0.679	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	53.1	176.4	-162.7	42.8	0	0	0	114.6	Q887	D885-Q887 PolarHBondContact O-N 3.32Å
886	E	78.1	Confident	87.9	Confident	152 Å²	152	38.5 Å²	38.5	71%	0.71	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	2.3	-172.6	-59.6	-65.3	148.9	0	0	115.7	W884	W884-E886 PolarHBondContact O-N 3.35Å
887	Q	85	Confident	88.7	Confident	50 Å²	50	40 Å²	40	23%	0.234	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	138	172.7	-48	-174.8	38.9	0	0	110.4	V883 W884 D885 F899 K900	V883-Q887 CarbonylContact C-O 3.56Å; V883-Q887 VanDerWaalsContact CA-O 3.32Å; V883-Q887 WeakPolarHBondContact CA-O 3.37Å; W884-Q887 PolarHBondContact N-O 3.37Å; W884-Q887 WeakPolarHBondContact O-CA 3.19Å; W884-Q887 VanDerWaalsContact O-CB 3.25Å; W884-Q887 WeakPolarHBondContact O-CB 3.49Å; W884-Q887 PolarHBondContact O-N 3.12Å; D885-Q887 PolarHBondContact O-N 3.32Å; Q887-F899 CarbonylContact C-O 3.56Å; Q887-F899 VanDerWaalsContact CA-O 3.28Å; Q887-F899 WeakPolarHBondContact CA-O 3.15Å; Q887-K900 HydrophobicContact CG-CB 4.1Å; Q887-K900 HydrophobicContact CG-CD 3.79Å; Q887-K900 HydrophobicContact CG-CG 4.35Å
888	L	89.9	Confident	89.1	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.8	173	-174.6	72.6	0	0	0	108.9	V883 V890 F899 I1243 T1244 Y1250 I1383	V883-L888 HydrophobicContact CG2-CD1 3.77Å; L888-V890 HydrophobicContact CD2-CG2 3.66Å; L888-V890 HydrophobicContact CG-CG2 3.65Å; L888-F899 HydrophobicContact CB-CB 4.42Å; L888-F899 PolarHBondContact N-O 3.16Å; L888-F899 WeakPolarHBondContact O-CD2 3.41Å; L888-F899 PolarHBondContact O-N 3.1Å; L888-I1243 HydrophobicContact CD1-CG2 4.22Å; L888-I1243 HydrophobicContact CD2-CD1 4.29Å; L888-T1244 HydrophobicContact CD1-CG2 3.92Å; L888-Y1250 HydrophobicContact CD1-CD1 4.01Å; L888-Y1250 HydrophobicContact CD1-CD2 4.36Å; L888-Y1250 HydrophobicContact CD1-CE1 4.44Å; L888-Y1250 HydrophobicContact CD1-CG 3.97Å; L888-Y1250 HydrophobicContact CD2-CD1 3.92Å; L888-Y1250 HydrophobicContact CD2-CG 4.48Å; L888-Y1250 HydrophobicContact CG-CD1 4.49Å; L888-I1383 HydrophobicContact CD2-CG2 3.86Å
889	I	92.2	Very high	89	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.2	172.1	-59.1	177.5	0	0	0	107.9	G881 D882 W884 T896 F897 L908 L918 V920 L943 L946	G881-I889 CarbonylContact C-O 3.5Å; G881-I889 WeakPolarHBondContact CA-O 3.36Å; D882-I889 PolarHBondContact N-O 3.34Å; D882-I889 PolarHBondContact O-N 2.85Å; W884-I889 HydrophobicContact CB-CD1 4.09Å; W884-I889 HydrophobicContact CE3-CD1 4.18Å; I889-T896 HydrophobicContact CG2-CG2 3.57Å; I889-F897 CarbonylContact C-O 3.54Å; I889-F897 WeakPolarHBondContact CA-O 3.47Å; I889-L908 HydrophobicContact CD1-CD1 4.43Å; I889-L908 HydrophobicContact CG1-CD1 4.24Å; I889-L908 HydrophobicContact CG2-CD1 4.28Å; I889-L918 HydrophobicContact CG2-CD2 4.26Å; I889-V920 HydrophobicContact CD1-CG2 4.19Å; I889-L943 HydrophobicContact CD1-CD2 4.07Å; I889-L946 HydrophobicContact CD1-CD1 4.46Å
890	V	91.9	Very high	88.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.9	-177.3	-169.2	0	0	0	0	111.4	I878 C880 L888 T896 F897 F899 I1383	I878-V890 HydrophobicContact CB-CG1 4.34Å; I878-V890 HydrophobicContact CG1-CG1 4.15Å; I878-V890 HydrophobicContact CG2-CG1 3.4Å; C880-V890 CarbonylContact O-C 3.6Å; C880-V890 WeakPolarHBondContact O-CA 3.48Å; L888-V890 HydrophobicContact CD2-CG2 3.66Å; L888-V890 HydrophobicContact CG-CG2 3.65Å; V890-T896 CarbonylContact O-C 3.57Å; V890-T896 WeakPolarHBondContact O-CA 3.48Å; V890-F897 PolarHBondContact N-O 3.04Å; V890-F897 PolarHBondContact O-N 2.93Å; V890-F899 HydrophobicContact CB-CD2 4.28Å; V890-F899 HydrophobicContact CB-CE2 3.8Å; V890-F899 HydrophobicContact CG2-CD2 3.89Å; V890-F899 HydrophobicContact CG2-CE2 3.86Å; V890-I1383 HydrophobicContact CG2-CD1 4.26Å
891	S	92.9	Very high	87.7	Confident	1 Å²	1	43 Å²	43	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.9	169.3	179.9	0	0	0	0	111.4	I879 C880 V915	I879-S891 PolarHBondContact N-O 3.1Å; C880-S891 PolarHBondContact O-N 3.27Å; S891-V915 PolarHBondContact OG-O 3.46Å
892	T	90.5	Very high	86.7	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	170.4	172.6	69.5	0	0	0	0	110.1	E877 I878 Q894 G895	E877-T892 VanDerWaalsContact O-CA 3.28Å; E877-T892 WeakPolarHBondContact O-CA 3.29Å; E877-T892 WeakPolarHBondContact O-CB 3.39Å; I878-T892 HydrophobicContact CG1-CG2 4.01Å; T892-Q894 PolarHBondContact O-N 2.9Å; T892-Q894 VanDerWaalsContact O-N 3.1Å; T892-Q894 PolarHBondContact OG1-N 3.08Å; T892-Q894 VanDerWaalsContact OG1-N 3.16Å; T892-G895 PolarHBondContact N-O 3.26Å; T892-G895 PolarHBondContact O-N 3.01Å; T892-G895 PolarHBondContact OG1-O 3.49Å
893	E	86.5	Confident	86	Confident	114 Å²	114	57.8 Å²	57.8	53%	0.533	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20	170.1	-60.7	-168.6	115.7	0	0	114.2	E877 I879	E877-E893 HydrophobicContact CB-CG 4.3Å; E877-E893 PolarHBondContact O-N 2.78Å; I879-E893 HydrophobicContact CD1-CG 4.45Å
894	Q	87.1	Confident	85.5	Confident	93 Å²	93	62.1 Å²	62.1	44%	0.435	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	8.8	178.2	-55.5	-56.5	-35.3	0	0	113.5	S876 T892 F897	S876-Q894 WeakPolarHBondContact OG-CG 3.23Å; T892-Q894 PolarHBondContact O-N 2.9Å; T892-Q894 VanDerWaalsContact O-N 3.1Å; T892-Q894 PolarHBondContact OG1-N 3.08Å; T892-Q894 VanDerWaalsContact OG1-N 3.16Å; Q894-F897 HydrophobicContact CB-CE2 4.31Å; Q894-F897 HydrophobicContact CB-CZ 4.45Å
895	G	90.6	Very high	85.4	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.2	-177.7	-177.8	0	0	0	0	0	113	T892 F897 I909	T892-G895 PolarHBondContact N-O 3.26Å; T892-G895 PolarHBondContact O-N 3.01Å; T892-G895 PolarHBondContact OG1-O 3.49Å; G895-F897 WeakPolarHBondContact O-CD2 3.35Å; G895-F897 WeakPolarHBondContact O-CE2 3.12Å; G895-I909 WeakPolarHBondContact CA-O 3.48Å
896	T	92.9	Very high	85.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129	179.2	-53.8	0	0	0	0	110.4	I889 V890 L908 I909 L918	I889-T896 HydrophobicContact CG2-CG2 3.57Å; V890-T896 CarbonylContact O-C 3.57Å; V890-T896 WeakPolarHBondContact O-CA 3.48Å; T896-L908 PolarHBondContact O-N 2.76Å; T896-I909 HydrophobicContact CG2-CD1 4.39Å; T896-I909 PolarHBondContact N-O 2.72Å; T896-I909 PolarHBondContact O-N 2.72Å; T896-L918 HydrophobicContact CG2-CD2 4.2Å
897	F	90.9	Very high	86.4	Confident	46 Å²	46	55.8 Å²	55.8	20%	0.202	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145	-175.4	-60.7	-99.2	0	0	0	111.8	I889 V890 Q894 G895 F899 P905 V906 L907	I889-F897 CarbonylContact C-O 3.54Å; I889-F897 WeakPolarHBondContact CA-O 3.47Å; V890-F897 PolarHBondContact N-O 3.04Å; V890-F897 PolarHBondContact O-N 2.93Å; Q894-F897 HydrophobicContact CB-CE2 4.31Å; Q894-F897 HydrophobicContact CB-CZ 4.45Å; G895-F897 WeakPolarHBondContact O-CD2 3.35Å; G895-F897 WeakPolarHBondContact O-CE2 3.12Å; F897-F899 HydrophobicContact CB-CD2 4.32Å; F897-F899 HydrophobicContact CB-CE2 3.59Å; F897-F899 HydrophobicContact CB-CZ 4.03Å; F897-P905 HydrophobicContact CB-CB 4.18Å; F897-P905 HydrophobicContact CD1-CB 4.12Å; F897-P905 HydrophobicContact CG-CB 4.49Å; F897-V906 CarbonylContact C-O 3.57Å; F897-V906 WeakPolarHBondContact CA-O 3.29Å; F897-L907 HydrophobicContact CD1-CB 4.04Å; F897-L907 HydrophobicContact CD1-CD1 4.01Å; F897-L907 HydrophobicContact CD2-CD1 4.37Å; F897-L907 HydrophobicContact CE1-CB 3.93Å; F897-L907 HydrophobicContact CE1-CD1 3.63Å; F897-L907 HydrophobicContact CE1-CG 4.35Å; F897-L907 HydrophobicContact CE2-CD1 4.01Å; F897-L907 HydrophobicContact CG-CD1 4.37Å; F897-L907 HydrophobicContact CZ-CD1 3.63Å
898	G	89.5	Confident	86.7	Confident	4 Å²	4	54.1 Å²	54.1	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.9	166.8	0	0	0	0	0	111.1	P905 V906	G898-P905 WeakPolarHBondContact O-CA 3.3Å; G898-V906 PolarHBondContact N-O 2.83Å; G898-V906 PolarHBondContact O-N 3.09Å
899	F	86.1	Confident	86.8	Confident	16 Å²	16	53.8 Å²	53.8	7%	0.07	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.3	179.4	-61.8	-103.9	0	0	0	109.6	Y871 Q887 L888 V890 F897 P905 I1383	Y871-F899 HydrophobicContact CD1-CD1 4.16Å; Y871-F899 AromaticContact CD1-CE1 3.53Å; Y871-F899 HydrophobicContact CD1-CE1 3.53Å; Y871-F899 HydrophobicContact CD1-CZ 4.49Å; Y871-F899 AromaticContact CD2-CD1 3.89Å; Y871-F899 HydrophobicContact CD2-CD1 3.89Å; Y871-F899 HydrophobicContact CD2-CE1 4.03Å; Y871-F899 AromaticContact CE1-CE1 3.74Å; Y871-F899 HydrophobicContact CE1-CE1 3.74Å; Y871-F899 HydrophobicContact CE2-CD1 4.29Å; Y871-F899 HydrophobicContact CE2-CE1 4.21Å; Y871-F899 AromaticContact CG-CD1 3.83Å; Y871-F899 HydrophobicContact CG-CD1 3.83Å; Y871-F899 AromaticContact CG-CE1 3.7Å; Y871-F899 HydrophobicContact CG-CE1 3.7Å; Q887-F899 CarbonylContact C-O 3.56Å; Q887-F899 VanDerWaalsContact CA-O 3.28Å; Q887-F899 WeakPolarHBondContact CA-O 3.15Å; L888-F899 HydrophobicContact CB-CB 4.42Å; L888-F899 PolarHBondContact N-O 3.16Å; L888-F899 WeakPolarHBondContact O-CD2 3.41Å; L888-F899 PolarHBondContact O-N 3.1Å; V890-F899 HydrophobicContact CB-CD2 4.28Å; V890-F899 HydrophobicContact CB-CE2 3.8Å; V890-F899 HydrophobicContact CG2-CD2 3.89Å; V890-F899 HydrophobicContact CG2-CE2 3.86Å; F897-F899 HydrophobicContact CB-CD2 4.32Å; F897-F899 HydrophobicContact CB-CE2 3.59Å; F897-F899 HydrophobicContact CB-CZ 4.03Å; F899-P905 HydrophobicContact CD1-CB 3.96Å; F899-P905 HydrophobicContact CD1-CG 3.71Å; F899-P905 HydrophobicContact CE1-CB 3.68Å; F899-P905 HydrophobicContact CE1-CG 3.38Å; F899-P905 HydrophobicContact CG-CB 4.49Å; F899-P905 HydrophobicContact CZ-CB 3.98Å; F899-P905 HydrophobicContact CZ-CG 4.12Å; F899-I1383 HydrophobicContact CE1-CD1 4.46Å; F899-I1383 HydrophobicContact CZ-CD1 4.39Å
900	K	81.8	Confident	86.8	Confident	87 Å²	87	54.9 Å²	54.9	38%	0.378	27%	0.272	S	S	.	.			trans	-127	145.4	176.5	177.4	149.2	155.3	-83.9	0	108.7	Q887 R902 E903	Q887-K900 HydrophobicContact CG-CB 4.1Å; Q887-K900 HydrophobicContact CG-CD 3.79Å; Q887-K900 HydrophobicContact CG-CG 4.35Å; K900-R902 PolarHBondContact O-N 2.89Å; K900-E903 HydrophobicContact CB-CB 4.22Å; K900-E903 WeakPolarHBondContact CG-OE2 3.49Å; K900-E903 IonicContact NZ-OE1 3.57Å; K900-E903 PolarHBondContact NZ-OE1 2.84Å; K900-E903 IonicContact NZ-OE2 2.66Å; K900-E903 PolarHBondContact NZ-OE2 2.69Å; K900-E903 PolarHBondContact O-N 3.24Å
901	D	71	Confident	86.7	Confident	118 Å²	118	61.2 Å²	61.2	63%	0.631	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	126.8	-171.9	-175.4	33.6	0	0	0	111	E903	D901-E903 PolarHBondContact O-N 2.83Å
902	R	71.3	Confident	86.6	Confident	229 Å²	229	65.3 Å²	65.3	86%	0.864	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	5.7	-177.4	-43.2	177.5	-169.1	-155.3	-5.1	116.7	K900	K900-R902 PolarHBondContact O-N 2.89Å
903	E	79.4	Confident	86.6	Confident	97 Å²	97	65.1 Å²	65.1	45%	0.453	32%	0.32	S	S	.	.	S	Bend	trans	-102.9	149	177.1	-75.2	171.6	-161.5	0	0	111.6	K900 D901	K900-E903 HydrophobicContact CB-CB 4.22Å; K900-E903 WeakPolarHBondContact CG-OE2 3.49Å; K900-E903 IonicContact NZ-OE1 3.57Å; K900-E903 PolarHBondContact NZ-OE1 2.84Å; K900-E903 IonicContact NZ-OE2 2.66Å; K900-E903 PolarHBondContact NZ-OE2 2.69Å; K900-E903 PolarHBondContact O-N 3.24Å; D901-E903 PolarHBondContact O-N 2.83Å
904	P	80.9	Confident	86.8	Confident	104 Å²	104	63.9 Å²	63.9	68%	0.675	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-68.4	150	176.9	29.8	-35.1	0	0	0	111.1	V906	P904-V906 PolarHBondContact O-N 2.61Å
905	P	85.1	Confident	87.2	Confident	39 Å²	39	59.4 Å²	59.4	25%	0.253	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-66.4	132.2	-177.5	-18.7	31.7	0	0	0	112.3	Y871 F897 G898 F899	Y871-P905 HydrophobicContact CE1-CG 4.12Å; Y871-P905 HydrophobicContact CE2-CG 3.65Å; Y871-P905 VanDerWaalsContact CZ-CG 3.43Å; Y871-P905 WeakPolarHBondContact OH-CD 3.21Å; Y871-P905 VanDerWaalsContact OH-CG 3.32Å; Y871-P905 WeakPolarHBondContact OH-CG 3.11Å; F897-P905 HydrophobicContact CB-CB 4.18Å; F897-P905 HydrophobicContact CD1-CB 4.12Å; F897-P905 HydrophobicContact CG-CB 4.49Å; G898-P905 WeakPolarHBondContact O-CA 3.3Å; F899-P905 HydrophobicContact CD1-CB 3.96Å; F899-P905 HydrophobicContact CD1-CG 3.71Å; F899-P905 HydrophobicContact CE1-CB 3.68Å; F899-P905 HydrophobicContact CE1-CG 3.38Å; F899-P905 HydrophobicContact CG-CB 4.49Å; F899-P905 HydrophobicContact CZ-CB 3.98Å; F899-P905 HydrophobicContact CZ-CG 4.12Å
906	V	88.6	Confident	87.3	Confident	87 Å²	87	62.5 Å²	62.5	53%	0.527	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.2	178.7	-176	0	0	0	0	109.2	F897 G898 P904 L908	F897-V906 CarbonylContact C-O 3.57Å; F897-V906 WeakPolarHBondContact CA-O 3.29Å; G898-V906 PolarHBondContact N-O 2.83Å; G898-V906 PolarHBondContact O-N 3.09Å; P904-V906 PolarHBondContact O-N 2.61Å; V906-L908 HydrophobicContact CB-CD2 4.3Å; V906-L908 HydrophobicContact CG1-CD2 3.94Å; V906-L908 PolarHBondContact O-N 2.81Å
907	L	90.7	Very high	87.4	Confident	68 Å²	68	64.7 Å²	64.7	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.7	176.4	-178.3	70.5	0	0	0	110.4	F897 I909 P951	F897-L907 HydrophobicContact CD1-CB 4.04Å; F897-L907 HydrophobicContact CD1-CD1 4.01Å; F897-L907 HydrophobicContact CD2-CD1 4.37Å; F897-L907 HydrophobicContact CE1-CB 3.93Å; F897-L907 HydrophobicContact CE1-CD1 3.63Å; F897-L907 HydrophobicContact CE1-CG 4.35Å; F897-L907 HydrophobicContact CE2-CD1 4.01Å; F897-L907 HydrophobicContact CG-CD1 4.37Å; F897-L907 HydrophobicContact CZ-CD1 3.63Å; L907-I909 WeakPolarHBondContact CD1-O 3.35Å; L907-P951 HydrophobicContact CD2-CB 4.1Å; L907-P951 HydrophobicContact CD2-CG 4.01Å; L907-P951 HydrophobicContact CG-CB 3.98Å; L907-P951 HydrophobicContact CG-CG 4.41Å
908	L	91.2	Very high	87.6	Confident	16 Å²	16	63 Å²	63	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-35	-174.7	-53.8	-177.2	0	0	0	113.1	I889 T896 V906 L946 P951 I952	I889-L908 HydrophobicContact CD1-CD1 4.43Å; I889-L908 HydrophobicContact CG1-CD1 4.24Å; I889-L908 HydrophobicContact CG2-CD1 4.28Å; T896-L908 PolarHBondContact O-N 2.76Å; V906-L908 HydrophobicContact CB-CD2 4.3Å; V906-L908 HydrophobicContact CG1-CD2 3.94Å; V906-L908 PolarHBondContact O-N 2.81Å; L908-L946 HydrophobicContact CB-CD2 4.32Å; L908-L946 HydrophobicContact CD1-CD1 4.32Å; L908-L946 HydrophobicContact CD2-CB 4.45Å; L908-P951 WeakPolarHBondContact O-CA 3.14Å; L908-I952 PolarHBondContact O-N 3.47Å
909	I	92.4	Very high	87.8	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137	178.6	-47.6	179.3	0	0	0	108.8	G895 T896 L907 V913 V915 L926 I928 I941 I952 V957	G895-I909 WeakPolarHBondContact CA-O 3.48Å; T896-I909 HydrophobicContact CG2-CD1 4.39Å; T896-I909 PolarHBondContact N-O 2.72Å; T896-I909 PolarHBondContact O-N 2.72Å; L907-I909 WeakPolarHBondContact CD1-O 3.35Å; I909-V913 HydrophobicContact CG2-CB 3.84Å; I909-V913 HydrophobicContact CG2-CG1 4.16Å; I909-V913 HydrophobicContact CG2-CG2 4.07Å; I909-V915 HydrophobicContact CD1-CG2 4.43Å; I909-L926 HydrophobicContact CD1-CD2 4.27Å; I909-I928 HydrophobicContact CD1-CD1 4.18Å; I909-I928 HydrophobicContact CD1-CG2 4.49Å; I909-I941 HydrophobicContact CD1-CD1 4Å; I909-I952 WeakPolarHBondContact CG2-O 3.24Å; I909-V957 HydrophobicContact CG2-CG2 4.36Å
910	D	91.4	Very high	88.1	Confident	24 Å²	24	64.7 Å²	64.7	13%	0.128	32%	0.317	C	S	.	.			trans	-65.3	159.9	-176.1	86.8	9.4	0	0	0	114.3	N912 V913 I952	D910-N912 VanDerWaalsContact CG-ND2 3.28Å; D910-N912 PolarHBondContact O-N 3.06Å; D910-N912 VanDerWaalsContact OD1-CA 3.25Å; D910-N912 WeakPolarHBondContact OD1-CA 3.34Å; D910-N912 WeakPolarHBondContact OD1-CB 3.27Å; D910-N912 PolarHBondContact OD1-N 2.91Å; D910-N912 PolarHBondContact OD2-ND2 3.38Å; D910-V913 PolarHBondContact O-N 3.01Å; D910-V913 PolarHBondContact OD1-N 3.5Å; D910-V913 VanDerWaalsContact OD1-N 3.16Å; D910-I952 PolarHBondContact N-O 2.85Å
911	K	90.1	Very high	88.4	Confident	132 Å²	132	61.5 Å²	61.5	57%	0.574	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-3.9	176.2	71	-179.4	-177.5	178.3	0	115	V913	K911-V913 VanDerWaalsContact C-N 3.31Å
912	N	89.9	Confident	88.9	Confident	88 Å²	88	58 Å²	58	47%	0.471	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6	176.7	-48.2	-66.1	0	0	0	111.5	D910 R954	D910-N912 VanDerWaalsContact CG-ND2 3.28Å; D910-N912 PolarHBondContact O-N 3.06Å; D910-N912 VanDerWaalsContact OD1-CA 3.25Å; D910-N912 WeakPolarHBondContact OD1-CA 3.34Å; D910-N912 WeakPolarHBondContact OD1-CB 3.27Å; D910-N912 PolarHBondContact OD1-N 2.91Å; D910-N912 PolarHBondContact OD2-ND2 3.38Å; N912-R954 HydrophobicContact CB-CB 4.21Å; N912-R954 VanDerWaalsContact O-CD 3.26Å; N912-R954 WeakPolarHBondContact O-CD 3.46Å; N912-R954 PolarHBondContact O-NE 2.58Å
913	V	91.2	Very high	89.3	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.024	27%	0.268	C	S	.	.	S	Bend	trans	-108.1	96.1	171.1	-175.5	0	0	0	0	109	I909 D910 K911 V915 I928 Y930 R954 V957	I909-V913 HydrophobicContact CG2-CB 3.84Å; I909-V913 HydrophobicContact CG2-CG1 4.16Å; I909-V913 HydrophobicContact CG2-CG2 4.07Å; D910-V913 PolarHBondContact O-N 3.01Å; D910-V913 PolarHBondContact OD1-N 3.5Å; D910-V913 VanDerWaalsContact OD1-N 3.16Å; K911-V913 VanDerWaalsContact C-N 3.31Å; V913-V915 VanDerWaalsContact C-N 3.33Å; V913-V915 HydrophobicContact CG1-CG2 3.73Å; V913-V915 PolarHBondContact O-N 2.95Å; V913-I928 HydrophobicContact CG1-CD1 4.38Å; V913-Y930 HydrophobicContact CG1-CD2 4.06Å; V913-Y930 HydrophobicContact CG1-CG 3.92Å; V913-R954 HydrophobicContact CG2-CB 3.86Å; V913-R954 HydrophobicContact CG2-CG 4.09Å; V913-V957 HydrophobicContact CG1-CB 4.49Å; V913-V957 HydrophobicContact CG1-CG1 4.11Å; V913-V957 HydrophobicContact CG1-CG2 4.22Å; V913-V957 HydrophobicContact CG2-CB 4.19Å; V913-V957 HydrophobicContact CG2-CG2 3.89Å
914	E	91.1	Very high	89.6	Confident	87 Å²	87	52.3 Å²	52.3	41%	0.407	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	84	174.5	-66.4	178.5	-117.6	0	0	111.1	K916 Y930 D931	E914-K916 PolarHBondContact O-N 2.95Å; E914-K916 WeakPolarHBondContact OE2-CE 3.15Å; E914-K916 IonicContact OE2-NZ 2.67Å; E914-K916 PolarHBondContact OE2-NZ 3.27Å; E914-Y930 VanDerWaalsContact O-CA 3.28Å; E914-Y930 WeakPolarHBondContact O-CA 3.44Å; E914-D931 PolarHBondContact O-N 2.87Å
915	V	94.4	Very high	90.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.5	177.2	179.3	0	0	0	0	110.2	S891 I909 V913 L918 I928 R929	S891-V915 PolarHBondContact OG-O 3.46Å; I909-V915 HydrophobicContact CD1-CG2 4.43Å; V913-V915 VanDerWaalsContact C-N 3.33Å; V913-V915 HydrophobicContact CG1-CG2 3.73Å; V913-V915 PolarHBondContact O-N 2.95Å; V915-L918 HydrophobicContact CG1-CB 4.12Å; V915-L918 HydrophobicContact CG1-CD2 4.2Å; V915-I928 HydrophobicContact CG1-CB 4.02Å; V915-I928 HydrophobicContact CG1-CG2 4.06Å; V915-I928 HydrophobicContact CG2-CB 4.4Å; V915-I928 HydrophobicContact CG2-CD1 3.99Å; V915-R929 CarbonylContact C-O 3.52Å; V915-R929 WeakPolarHBondContact CA-O 3.06Å
916	K	93.3	Very high	90.5	Very high	65 Å²	65	45.6 Å²	45.6	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-15.6	-176.9	-51.7	-57.3	-172.3	-176.2	0	114.7	I879 E914 R929 D931	I879-K916 HydrophobicContact CG2-CB 4.47Å; I879-K916 HydrophobicContact CG2-CD 4.15Å; E914-K916 PolarHBondContact O-N 2.95Å; E914-K916 WeakPolarHBondContact OE2-CE 3.15Å; E914-K916 IonicContact OE2-NZ 2.67Å; E914-K916 PolarHBondContact OE2-NZ 3.27Å; K916-R929 PolarHBondContact N-O 3.16Å; K916-D931 WeakPolarHBondContact CE-OD2 3.34Å; K916-D931 HydrophobicContact CG-CB 4.43Å; K916-D931 VanDerWaalsContact CG-OD2 3.23Å; K916-D931 WeakPolarHBondContact CG-OD2 3.21Å
917	Q	95	Very high	90.8	Very high	46 Å²	46	41.5 Å²	41.5	22%	0.215	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	139	171.7	-174.6	-174.9	-3.6	0	0	106.8	I928 R929 F971	Q917-I928 CarbonylContact O-C 3.59Å; Q917-I928 WeakPolarHBondContact O-CA 3.38Å; Q917-R929 HydrophobicContact CB-CB 3.73Å; Q917-R929 PolarHBondContact N-O 2.99Å; Q917-R929 PolarHBondContact O-N 2.82Å; Q917-F971 HydrophobicContact CB-CE1 3.99Å; Q917-F971 VanDerWaalsContact CD-CE1 3.48Å; Q917-F971 HydrophobicContact CG-CD1 4.29Å; Q917-F971 HydrophobicContact CG-CE1 3.68Å; Q917-F971 HydrophobicContact CG-CZ 3.85Å; Q917-F971 PolarHBondContact NE2-O 3.02Å
918	L	95.4	Very high	91.1	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.063	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.9	170.5	72	84.1	0	0	0	110.4	D882 I889 T896 V915 L926 I927 I928	D882-L918 HydrophobicContact CB-CD1 3.76Å; I889-L918 HydrophobicContact CG2-CD2 4.26Å; T896-L918 HydrophobicContact CG2-CD2 4.2Å; V915-L918 HydrophobicContact CG1-CB 4.12Å; V915-L918 HydrophobicContact CG1-CD2 4.2Å; L918-L926 HydrophobicContact CB-CD1 4.15Å; L918-L926 HydrophobicContact CD1-CD1 3.99Å; L918-I927 VanDerWaalsContact CA-O 3.28Å; L918-I927 WeakPolarHBondContact CA-O 3.37Å; L918-I928 HydrophobicContact CB-CG2 3.91Å
919	E	94	Very high	91.3	Very high	40 Å²	40	38.9 Å²	38.9	19%	0.187	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	134.5	176.8	-171.6	169	-165	0	0	108.6	I927 F971 I973 K975	E919-I927 PolarHBondContact N-O 2.95Å; E919-I927 PolarHBondContact O-N 3.27Å; E919-F971 HydrophobicContact CB-CE2 3.93Å; E919-F971 HydrophobicContact CB-CZ 4.14Å; E919-I973 HydrophobicContact CB-CD1 3.93Å; E919-I973 HydrophobicContact CG-CD1 4.01Å; E919-I973 WeakPolarHBondContact OE2-CD1 3.27Å; E919-I973 WeakPolarHBondContact OE2-CG1 3.25Å; E919-K975 VanDerWaalsContact OE1-CE 3.28Å; E919-K975 WeakPolarHBondContact OE1-CE 3.42Å; E919-K975 IonicContact OE1-NZ 3.69Å
920	V	92.1	Very high	91.4	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.085	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	103.5	177.4	170.9	0	0	0	0	109.1	D882 W884 I889 L926 L943 K1246	D882-V920 HydrophobicContact CB-CG2 4.38Å; D882-V920 WeakPolarHBondContact OD2-CB 3.26Å; D882-V920 PolarHBondContact OD2-N 2.93Å; W884-V920 HydrophobicContact CB-CG1 4.18Å; W884-V920 HydrophobicContact CB-CG2 4.43Å; I889-V920 HydrophobicContact CD1-CG2 4.19Å; V920-L926 HydrophobicContact CG2-CD1 3.73Å; V920-L943 HydrophobicContact CG1-CD1 3.59Å; V920-L943 HydrophobicContact CG1-CD2 4.44Å; V920-L943 HydrophobicContact CG2-CD2 4.18Å; V920-K1246 VanDerWaalsContact CB-NZ 3.34Å; V920-K1246 PolarHBondContact O-NZ 2.75Å
921	A	88.5	Confident	91.3	Very high	20 Å²	20	39.4 Å²	39.4	17%	0.165	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-175.8	-173.6	0	0	0	0	0	113.2	L925 I973 L981	A921-L925 HydrophobicContact CB-CB 4.44Å; A921-L925 PolarHBondContact N-O 2.83Å; A921-I973 HydrophobicContact CB-CD1 4.09Å; A921-I973 HydrophobicContact CB-CG2 4.2Å; A921-L981 HydrophobicContact CB-CD1 4.31Å; A921-L981 HydrophobicContact CB-CD2 4.33Å
922	Q	80.3	Confident	90.6	Very high	46 Å²	46	39.8 Å²	39.8	22%	0.215	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	165.8	170.5	-59	176.4	12.2	0	0	111.7	E924 L925 K975 S976	Q922-E924 VanDerWaalsContact C-N 3.26Å; Q922-E924 PolarHBondContact O-N 2.86Å; Q922-L925 WeakPolarHBondContact O-CG 3.32Å; Q922-L925 PolarHBondContact O-N 3.36Å; Q922-K975 PolarHBondContact NE2-O 3.27Å; Q922-S976 VanDerWaalsContact NE2-C 3.27Å; Q922-S976 PolarHBondContact NE2-O 3.15Å
923	F	81.2	Confident	89.8	Confident	105 Å²	105	38.5 Å²	38.5	46%	0.461	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	29.4	179.4	-47	-74.8	0	0	0	115	L925 L981 W996	F923-L925 VanDerWaalsContact C-N 3.31Å; F923-L925 HydrophobicContact CB-CD1 4.33Å; F923-L925 HydrophobicContact CB-CG 4.24Å; F923-L925 PolarHBondContact O-N 2.87Å; F923-L981 HydrophobicContact CD2-CB 4.39Å; F923-L981 HydrophobicContact CD2-CD2 4.07Å; F923-L981 HydrophobicContact CE2-CB 4.02Å; F923-W996 AromaticContact CD2-CD1 3.99Å; F923-W996 AromaticContact CD2-NE1 3.87Å; F923-W996 AromaticContact CE2-CD1 3.98Å
924	E	85.4	Confident	88.7	Confident	101 Å²	101	50.5 Å²	50.5	47%	0.472	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.4	-177.3	-57.8	-161.8	124.7	0	0	113.7	Q922 Q942 L943	Q922-E924 VanDerWaalsContact C-N 3.26Å; Q922-E924 PolarHBondContact O-N 2.86Å; E924-Q942 CarbonylContact O-C 3.6Å; E924-Q942 WeakPolarHBondContact O-CA 3.1Å; E924-L943 VanDerWaalsContact C-CD1 3.44Å; E924-L943 HydrophobicContact CB-CB 4.27Å; E924-L943 HydrophobicContact CB-CD1 4Å; E924-L943 WeakPolarHBondContact O-CB 3.26Å; E924-L943 VanDerWaalsContact O-CG 3.29Å; E924-L943 WeakPolarHBondContact O-CG 3.47Å; E924-L943 PolarHBondContact O-N 3.44Å
925	L	90.4	Very high	88.4	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.4	-179.6	-57.4	176	0	0	0	111.6	A921 Q922 F923 V940 Q942 L981 W996 P1015 F1019	A921-L925 HydrophobicContact CB-CB 4.44Å; A921-L925 PolarHBondContact N-O 2.83Å; Q922-L925 WeakPolarHBondContact O-CG 3.32Å; Q922-L925 PolarHBondContact O-N 3.36Å; F923-L925 VanDerWaalsContact C-N 3.31Å; F923-L925 HydrophobicContact CB-CD1 4.33Å; F923-L925 HydrophobicContact CB-CG 4.24Å; F923-L925 PolarHBondContact O-N 2.87Å; L925-V940 HydrophobicContact CB-CG1 4.33Å; L925-V940 HydrophobicContact CD1-CG1 4.3Å; L925-V940 HydrophobicContact CD2-CG1 4.09Å; L925-V940 HydrophobicContact CG-CG1 4.47Å; L925-Q942 HydrophobicContact CD2-CG 4.01Å; L925-L981 HydrophobicContact CD1-CD2 3.79Å; L925-W996 HydrophobicContact CD1-CD2 4.12Å; L925-W996 HydrophobicContact CD1-CE3 3.75Å; L925-W996 HydrophobicContact CD1-CH2 3.59Å; L925-W996 HydrophobicContact CD1-CZ2 3.98Å; L925-W996 HydrophobicContact CD1-CZ3 3.46Å; L925-W996 VanDerWaalsContact CD1-CZ3 3.46Å; L925-W996 HydrophobicContact CD2-CH2 3.77Å; L925-W996 HydrophobicContact CD2-CZ2 4.44Å; L925-W996 HydrophobicContact CD2-CZ3 4.2Å; L925-W996 HydrophobicContact CG-CH2 4.28Å; L925-W996 HydrophobicContact CG-CZ3 4.49Å; L925-P1015 HydrophobicContact CD2-CB 4.27Å; L925-F1019 HydrophobicContact CD1-CE2 4.35Å
926	L	93.6	Very high	88.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.2	161.7	175.3	65.6	0	0	0	108.7	I909 L918 V920 I928 I941 L943 L946	I909-L926 HydrophobicContact CD1-CD2 4.27Å; L918-L926 HydrophobicContact CB-CD1 4.15Å; L918-L926 HydrophobicContact CD1-CD1 3.99Å; V920-L926 HydrophobicContact CG2-CD1 3.73Å; L926-I928 HydrophobicContact CD1-CG2 4.22Å; L926-I928 HydrophobicContact CD2-CG2 4.13Å; L926-I928 HydrophobicContact CG-CG2 3.88Å; L926-I941 HydrophobicContact CB-CB 4.37Å; L926-I941 PolarHBondContact N-O 2.87Å; L926-I941 PolarHBondContact O-N 3.13Å; L926-L943 HydrophobicContact CB-CD2 3.71Å; L926-L943 HydrophobicContact CB-CG 4.28Å; L926-L946 HydrophobicContact CD2-CD1 3.82Å
927	I	95.3	Very high	88.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.4	174.7	-57.2	-160.2	0	0	0	108.6	L918 E919 I938 A939 V940 F971 I973 L983 F1019	L918-I927 VanDerWaalsContact CA-O 3.28Å; L918-I927 WeakPolarHBondContact CA-O 3.37Å; E919-I927 PolarHBondContact N-O 2.95Å; E919-I927 PolarHBondContact O-N 3.27Å; I927-I938 HydrophobicContact CG2-CG2 3.75Å; I927-A939 WeakPolarHBondContact CA-O 3.32Å; I927-V940 HydrophobicContact CD1-CG1 4.46Å; I927-V940 HydrophobicContact CD1-CG2 4.11Å; I927-V940 HydrophobicContact CG1-CG1 4.27Å; I927-V940 HydrophobicContact CG1-CG2 4.22Å; I927-F971 HydrophobicContact CB-CE2 4.46Å; I927-F971 HydrophobicContact CB-CZ 4.32Å; I927-F971 HydrophobicContact CG2-CD2 4.42Å; I927-F971 HydrophobicContact CG2-CE1 4.16Å; I927-F971 HydrophobicContact CG2-CE2 4.03Å; I927-F971 HydrophobicContact CG2-CZ 3.88Å; I927-I973 HydrophobicContact CB-CD1 3.94Å; I927-I973 HydrophobicContact CD1-CD1 3.8Å; I927-I973 HydrophobicContact CG1-CD1 4.08Å; I927-I973 HydrophobicContact CG2-CD1 4.35Å; I927-L983 HydrophobicContact CD1-CD1 3.67Å; I927-L983 HydrophobicContact CG2-CD1 3.63Å; I927-F1019 HydrophobicContact CD1-CE2 3.93Å; I927-F1019 HydrophobicContact CD1-CZ 3.88Å
928	I	96.3	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.6	-177.7	62.6	172.6	0	0	0	112	I909 V913 V915 Q917 L918 L926 I938 A939 I941 V957	I909-I928 HydrophobicContact CD1-CD1 4.18Å; I909-I928 HydrophobicContact CD1-CG2 4.49Å; V913-I928 HydrophobicContact CG1-CD1 4.38Å; V915-I928 HydrophobicContact CG1-CB 4.02Å; V915-I928 HydrophobicContact CG1-CG2 4.06Å; V915-I928 HydrophobicContact CG2-CB 4.4Å; V915-I928 HydrophobicContact CG2-CD1 3.99Å; Q917-I928 CarbonylContact O-C 3.59Å; Q917-I928 WeakPolarHBondContact O-CA 3.38Å; L918-I928 HydrophobicContact CB-CG2 3.91Å; L926-I928 HydrophobicContact CD1-CG2 4.22Å; L926-I928 HydrophobicContact CD2-CG2 4.13Å; L926-I928 HydrophobicContact CG-CG2 3.88Å; I928-I938 CarbonylContact O-C 3.53Å; I928-I938 VanDerWaalsContact O-CA 3.25Å; I928-I938 WeakPolarHBondContact O-CA 3.4Å; I928-A939 HydrophobicContact CD1-CB 4.33Å; I928-A939 HydrophobicContact CG1-CB 3.9Å; I928-A939 PolarHBondContact N-O 2.84Å; I928-A939 PolarHBondContact O-N 3.37Å; I928-I941 HydrophobicContact CD1-CD1 3.71Å; I928-I941 HydrophobicContact CG1-CD1 4.27Å; I928-V957 HydrophobicContact CD1-CG1 3.89Å; I928-V957 HydrophobicContact CD1-CG2 4.31Å
929	R	96	Very high	88.2	Confident	29 Å²	29	47.4 Å²	47.4	11%	0.109	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.9	160.7	-162	-174.7	83.2	67.8	4.8	107.6	V915 K916 Q917 D931 K937 I938 A968 Q969 F971	V915-R929 CarbonylContact C-O 3.52Å; V915-R929 WeakPolarHBondContact CA-O 3.06Å; K916-R929 PolarHBondContact N-O 3.16Å; Q917-R929 HydrophobicContact CB-CB 3.73Å; Q917-R929 PolarHBondContact N-O 2.99Å; Q917-R929 PolarHBondContact O-N 2.82Å; R929-D931 IonicContact CZ-OD1 3.93Å; R929-D931 IonicContact NH1-OD1 3.89Å; R929-D931 PolarHBondContact NH1-OD1 3.32Å; R929-D931 IonicContact NH1-OD2 3.79Å; R929-D931 IonicContact NH2-OD1 3.64Å; R929-D931 IonicContact NH2-OD2 3.78Å; R929-D931 PolarHBondContact NH2-OD2 3.4Å; R929-K937 CarbonylContact C-O 3.58Å; R929-K937 VanDerWaalsContact CA-O 3.29Å; R929-K937 WeakPolarHBondContact CA-O 3.45Å; R929-I938 HydrophobicContact CG-CG1 4.33Å; R929-A968 WeakPolarHBondContact CD-O 3.45Å; R929-A968 PolarHBondContact NH1-O 3.39Å; R929-Q969 VanDerWaalsContact CD-C 3.49Å; R929-Q969 WeakPolarHBondContact CD-O 3.11Å; R929-Q969 PolarHBondContact NE-O 3.05Å; R929-F971 HydrophobicContact CB-CD1 4.04Å; R929-F971 HydrophobicContact CB-CE1 3.96Å
930	Y	94.9	Very high	88.2	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.035	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.5	179.2	77.6	-81.6	0	0	0	111.2	V913 E914 G936 K937 A939 V957 S961	V913-Y930 HydrophobicContact CG1-CD2 4.06Å; V913-Y930 HydrophobicContact CG1-CG 3.92Å; E914-Y930 VanDerWaalsContact O-CA 3.28Å; E914-Y930 WeakPolarHBondContact O-CA 3.44Å; Y930-G936 CarbonylContact O-C 3.54Å; Y930-G936 WeakPolarHBondContact O-CA 3.26Å; Y930-K937 HydrophobicContact CD1-CB 4.11Å; Y930-K937 HydrophobicContact CE1-CB 3.49Å; Y930-K937 VanDerWaalsContact CE1-CB 3.49Å; Y930-K937 HydrophobicContact CE1-CD 4.46Å; Y930-K937 HydrophobicContact CE2-CB 4.46Å; Y930-K937 PolarHBondContact N-O 3.38Å; Y930-K937 PolarHBondContact O-N 3.19Å; Y930-K937 WeakPolarHBondContact OH-CD 3.34Å; Y930-A939 HydrophobicContact CD1-CB 4.3Å; Y930-A939 HydrophobicContact CE1-CB 4.08Å; Y930-V957 HydrophobicContact CD1-CG1 3.63Å; Y930-V957 HydrophobicContact CD2-CG1 4.36Å; Y930-V957 HydrophobicContact CE1-CG1 3.54Å; Y930-V957 HydrophobicContact CE2-CG1 4.26Å; Y930-V957 HydrophobicContact CG-CG1 4.06Å; Y930-S961 WeakPolarHBondContact CE1-OG 3.4Å; Y930-S961 PolarHBondContact OH-OG 3.38Å
931	D	89.5	Confident	88.2	Confident	27 Å²	27	44.9 Å²	44.9	14%	0.144	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.2	-178.1	-74.3	-23.8	0	0	0	112.9	E914 K916 R929 G936	E914-D931 PolarHBondContact O-N 2.87Å; K916-D931 WeakPolarHBondContact CE-OD2 3.34Å; K916-D931 HydrophobicContact CG-CB 4.43Å; K916-D931 VanDerWaalsContact CG-OD2 3.23Å; K916-D931 WeakPolarHBondContact CG-OD2 3.21Å; R929-D931 IonicContact CZ-OD1 3.93Å; R929-D931 IonicContact NH1-OD1 3.89Å; R929-D931 PolarHBondContact NH1-OD1 3.32Å; R929-D931 IonicContact NH1-OD2 3.79Å; R929-D931 IonicContact NH2-OD1 3.64Å; R929-D931 IonicContact NH2-OD2 3.78Å; R929-D931 PolarHBondContact NH2-OD2 3.4Å; D931-G936 WeakPolarHBondContact OD1-CA 3.16Å
932	K	75.8	Confident	88.2	Confident	140 Å²	140	45.1 Å²	45.1	61%	0.609	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	81.1	166.1	-174.4	-180	173.3	-177	0	108.8	R934 E935	K932-R934 PolarHBondContact O-N 2.86Å; K932-E935 PolarHBondContact N-O 2.85Å; K932-E935 PolarHBondContact O-N 3.48Å
933	G	71.4	Confident	88.5	Confident	61 Å²	61	43 Å²	43	63%	0.629	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	-99.8	-176.8	0	0	0	0	0	111
934	R	69.7	Low	88.4	Confident	256 Å²	256	40.6 Å²	40.6	97%	0.966	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	4.1	178.8	-63.4	-173.5	-178.3	177.3	1.1	114.3	K932	K932-R934 PolarHBondContact O-N 2.86Å
935	E	83.4	Confident	88.1	Confident	83 Å²	83	38.6 Å²	38.6	39%	0.388	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	112	-175.5	-56.4	-165.8	117.9	0	0	111.9	K932 K966	K932-E935 PolarHBondContact N-O 2.85Å; K932-E935 PolarHBondContact O-N 3.48Å; E935-K966 IonicContact OE1-NZ 3.83Å; E935-K966 PolarHBondContact OE1-NZ 2.95Å; E935-K966 WeakPolarHBondContact OE2-CE 3.27Å; E935-K966 IonicContact OE2-NZ 2.76Å; E935-K966 PolarHBondContact OE2-NZ 3.07Å
936	G	89.6	Confident	87.4	Confident	5 Å²	5	39.2 Å²	39.2	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	155.5	171	0	0	0	0	0	113.5	Y930 D931 G967	Y930-G936 CarbonylContact O-C 3.54Å; Y930-G936 WeakPolarHBondContact O-CA 3.26Å; D931-G936 WeakPolarHBondContact OD1-CA 3.16Å; G936-G967 PolarHBondContact O-N 3.38Å
937	K	94.5	Very high	86.2	Confident	58 Å²	58	44.3 Å²	44.3	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160.3	171.1	-89	-174.5	158.3	-119.9	0	110.1	R929 Y930	R929-K937 CarbonylContact C-O 3.58Å; R929-K937 VanDerWaalsContact CA-O 3.29Å; R929-K937 WeakPolarHBondContact CA-O 3.45Å; Y930-K937 HydrophobicContact CD1-CB 4.11Å; Y930-K937 HydrophobicContact CE1-CB 3.49Å; Y930-K937 VanDerWaalsContact CE1-CB 3.49Å; Y930-K937 HydrophobicContact CE1-CD 4.46Å; Y930-K937 HydrophobicContact CE2-CB 4.46Å; Y930-K937 PolarHBondContact N-O 3.38Å; Y930-K937 PolarHBondContact O-N 3.19Å; Y930-K937 WeakPolarHBondContact OH-CD 3.34Å
938	I	95.9	Very high	84.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.5	172.6	-59	161.6	0	0	0	109.3	I927 I928 R929 S961 L962 T965 A968 F971 L983 A985	I927-I938 HydrophobicContact CG2-CG2 3.75Å; I928-I938 CarbonylContact O-C 3.53Å; I928-I938 VanDerWaalsContact O-CA 3.25Å; I928-I938 WeakPolarHBondContact O-CA 3.4Å; R929-I938 HydrophobicContact CG-CG1 4.33Å; I938-S961 CarbonylContact O-C 3.59Å; I938-S961 WeakPolarHBondContact O-CA 3.21Å; I938-L962 HydrophobicContact CG2-CD1 4.09Å; I938-L962 PolarHBondContact O-N 3.4Å; I938-T965 HydrophobicContact CB-CG2 4.04Å; I938-T965 HydrophobicContact CD1-CG2 3.98Å; I938-T965 HydrophobicContact CG1-CG2 4.38Å; I938-T965 PolarHBondContact N-OG1 2.83Å; I938-T965 VanDerWaalsContact N-OG1 3.13Å; I938-A968 HydrophobicContact CD1-CB 3.91Å; I938-A968 HydrophobicContact CG1-CB 4.09Å; I938-F971 HydrophobicContact CD1-CB 3.76Å; I938-F971 HydrophobicContact CD1-CD1 4.23Å; I938-F971 HydrophobicContact CD1-CG 4.37Å; I938-F971 HydrophobicContact CG1-CD1 4.15Å; I938-F971 HydrophobicContact CG2-CD1 4.47Å; I938-L983 HydrophobicContact CD1-CD2 4.41Å; I938-L983 HydrophobicContact CG2-CD1 4.22Å; I938-A985 HydrophobicContact CD1-CB 3.43Å; I938-A985 VanDerWaalsContact CD1-CB 3.43Å
939	A	94.8	Very high	83.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.5	174.4	0	0	0	0	0	111.5	I927 I928 Y930 V957 L960	I927-A939 WeakPolarHBondContact CA-O 3.32Å; I928-A939 HydrophobicContact CD1-CB 4.33Å; I928-A939 HydrophobicContact CG1-CB 3.9Å; I928-A939 PolarHBondContact N-O 2.84Å; I928-A939 PolarHBondContact O-N 3.37Å; Y930-A939 HydrophobicContact CD1-CB 4.3Å; Y930-A939 HydrophobicContact CE1-CB 4.08Å; A939-V957 HydrophobicContact CB-CG1 3.81Å; A939-L960 CarbonylContact C-O 3.57Å; A939-L960 WeakPolarHBondContact CA-O 3.22Å; A939-L960 HydrophobicContact CB-CB 4.5Å; A939-L960 WeakPolarHBondContact CB-O 3.49Å
940	V	94	Very high	82.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.9	-176.9	-176.5	0	0	0	0	108.7	L925 I927 L960 L962 P1015 F1019	L925-V940 HydrophobicContact CB-CG1 4.33Å; L925-V940 HydrophobicContact CD1-CG1 4.3Å; L925-V940 HydrophobicContact CD2-CG1 4.09Å; L925-V940 HydrophobicContact CG-CG1 4.47Å; I927-V940 HydrophobicContact CD1-CG1 4.46Å; I927-V940 HydrophobicContact CD1-CG2 4.11Å; I927-V940 HydrophobicContact CG1-CG1 4.27Å; I927-V940 HydrophobicContact CG1-CG2 4.22Å; V940-L960 PolarHBondContact N-O 3.16Å; V940-L962 HydrophobicContact CG2-CD1 3.9Å; V940-L962 HydrophobicContact CG2-CD2 4.07Å; V940-L962 HydrophobicContact CG2-CG 3.92Å; V940-P1015 HydrophobicContact CB-CB 4.42Å; V940-P1015 HydrophobicContact CG1-CB 3.85Å; V940-F1019 HydrophobicContact CB-CE2 4.45Å; V940-F1019 HydrophobicContact CG1-CD2 4.31Å; V940-F1019 HydrophobicContact CG1-CE2 3.91Å; V940-F1019 HydrophobicContact CG2-CD2 3.83Å; V940-F1019 HydrophobicContact CG2-CE2 3.76Å
941	I	91.9	Very high	82.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.3	-173.6	-56.3	174.8	0	0	0	107.6	I909 L926 I928 L946 I952 V957 L960	I909-I941 HydrophobicContact CD1-CD1 4Å; L926-I941 HydrophobicContact CB-CB 4.37Å; L926-I941 PolarHBondContact N-O 2.87Å; L926-I941 PolarHBondContact O-N 3.13Å; I928-I941 HydrophobicContact CD1-CD1 3.71Å; I928-I941 HydrophobicContact CG1-CD1 4.27Å; I941-L946 HydrophobicContact CG2-CD2 4.04Å; I941-L946 HydrophobicContact CG2-CG 4.45Å; I941-I952 HydrophobicContact CD1-CD1 4.26Å; I941-I952 HydrophobicContact CG2-CD1 3.5Å; I941-V957 HydrophobicContact CD1-CG2 4.46Å; I941-L960 HydrophobicContact CG1-CD1 3.98Å
942	Q	89	Confident	82.4	Confident	25 Å²	25	61.8 Å²	61.8	12%	0.117	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129	168.4	-61.9	-174	13.3	0	0	109.2	E924 L925 N944 C945 P1013 P1015	E924-Q942 CarbonylContact O-C 3.6Å; E924-Q942 WeakPolarHBondContact O-CA 3.1Å; L925-Q942 HydrophobicContact CD2-CG 4.01Å; Q942-N944 WeakPolarHBondContact CB-OD1 3.33Å; Q942-N944 PolarHBondContact O-N 2.85Å; Q942-N944 PolarHBondContact OE1-ND2 3.13Å; Q942-N944 PolarHBondContact OE1-OD1 3.18Å; Q942-C945 VanDerWaalsContact O-CB 3.27Å; Q942-C945 WeakPolarHBondContact O-CB 3.32Å; Q942-C945 PolarHBondContact O-N 3.07Å; Q942-P1013 PolarHBondContact NE2-O 3.48Å; Q942-P1015 HydrophobicContact CG-CB 4.27Å; Q942-P1015 HydrophobicContact CG-CG 4.22Å
943	L	85.2	Confident	83	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.5	-32.8	-177.3	-67.7	159.6	0	0	0	112.1	W884 I889 V920 E924 L926 C945 L946	W884-L943 HydrophobicContact CD2-CB 4.18Å; W884-L943 HydrophobicContact CD2-CD1 4.04Å; W884-L943 HydrophobicContact CD2-CD2 3.92Å; W884-L943 HydrophobicContact CD2-CG 4.27Å; W884-L943 HydrophobicContact CE3-CD2 4.09Å; W884-L943 HydrophobicContact CG-CD1 3.84Å; W884-L943 HydrophobicContact CG-CD2 4.14Å; W884-L943 HydrophobicContact CG-CG 4.49Å; W884-L943 HydrophobicContact CH2-CB 4.01Å; W884-L943 HydrophobicContact CZ2-CB 3.64Å; W884-L943 HydrophobicContact CZ3-CB 4.43Å; I889-L943 HydrophobicContact CD1-CD2 4.07Å; V920-L943 HydrophobicContact CG1-CD1 3.59Å; V920-L943 HydrophobicContact CG1-CD2 4.44Å; V920-L943 HydrophobicContact CG2-CD2 4.18Å; E924-L943 VanDerWaalsContact C-CD1 3.44Å; E924-L943 HydrophobicContact CB-CB 4.27Å; E924-L943 HydrophobicContact CB-CD1 4Å; E924-L943 WeakPolarHBondContact O-CB 3.26Å; E924-L943 VanDerWaalsContact O-CG 3.29Å; E924-L943 WeakPolarHBondContact O-CG 3.47Å; E924-L943 PolarHBondContact O-N 3.44Å; L926-L943 HydrophobicContact CB-CD2 3.71Å; L926-L943 HydrophobicContact CB-CG 4.28Å; L943-C945 PolarHBondContact O-N 3.2Å; L943-C945 VanDerWaalsContact O-N 3.15Å; L943-L946 HydrophobicContact CD2-CD1 3.75Å; L943-L946 VanDerWaalsContact O-CB 3.25Å; L943-L946 WeakPolarHBondContact O-CB 3.4Å; L943-L946 PolarHBondContact O-N 2.95Å
944	N	80.2	Confident	83.9	Confident	55 Å²	55	59.2 Å²	59.2	29%	0.294	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-53.5	-30.7	172.3	61.6	32.2	0	0	0	113.1	Q942 L946 T947	Q942-N944 WeakPolarHBondContact CB-OD1 3.33Å; Q942-N944 PolarHBondContact O-N 2.85Å; Q942-N944 PolarHBondContact OE1-ND2 3.13Å; Q942-N944 PolarHBondContact OE1-OD1 3.18Å; N944-L946 VanDerWaalsContact C-N 3.31Å; N944-L946 PolarHBondContact O-N 3.31Å; N944-T947 PolarHBondContact O-N 2.81Å; N944-T947 PolarHBondContact O-OG1 3.28Å
945	C	78.6	Confident	84.8	Confident	60 Å²	60	50.2 Å²	50.2	41%	0.405	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-71.2	-25.7	176.2	-62.1	0	0	0	0	112.7	Q942 L943 T947 S948	Q942-C945 VanDerWaalsContact O-CB 3.27Å; Q942-C945 WeakPolarHBondContact O-CB 3.32Å; Q942-C945 PolarHBondContact O-N 3.07Å; L943-C945 PolarHBondContact O-N 3.2Å; L943-C945 VanDerWaalsContact O-N 3.15Å; C945-T947 PolarHBondContact O-N 3.29Å; C945-S948 WeakPolarHBondContact O-CB 3.37Å; C945-S948 PolarHBondContact O-N 3.3Å; C945-S948 PolarHBondContact O-OG 3.1Å
946	L	76.2	Confident	85	Confident	13 Å²	13	49.9 Å²	49.9	7%	0.068	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-71.7	-12.8	177	-52.4	176.4	0	0	0	112.6	I889 L908 L926 I941 L943 N944 S948 I952	I889-L946 HydrophobicContact CD1-CD1 4.46Å; L908-L946 HydrophobicContact CB-CD2 4.32Å; L908-L946 HydrophobicContact CD1-CD1 4.32Å; L908-L946 HydrophobicContact CD2-CB 4.45Å; L926-L946 HydrophobicContact CD2-CD1 3.82Å; I941-L946 HydrophobicContact CG2-CD2 4.04Å; I941-L946 HydrophobicContact CG2-CG 4.45Å; L943-L946 HydrophobicContact CD2-CD1 3.75Å; L943-L946 VanDerWaalsContact O-CB 3.25Å; L943-L946 WeakPolarHBondContact O-CB 3.4Å; L943-L946 PolarHBondContact O-N 2.95Å; N944-L946 VanDerWaalsContact C-N 3.31Å; N944-L946 PolarHBondContact O-N 3.31Å; L946-S948 PolarHBondContact O-N 3.45Å; L946-I952 HydrophobicContact CD2-CD1 3.52Å; L946-I952 HydrophobicContact CD2-CG1 4.19Å
947	T	67.5	Low	85	Confident	109 Å²	109	49.7 Å²	49.7	67%	0.669	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-78.9	-4.2	172.7	72.7	0	0	0	0	113.3	W884 N944 C945	W884-T947 HydrophobicContact CH2-CG2 4.11Å; N944-T947 PolarHBondContact O-N 2.81Å; N944-T947 PolarHBondContact O-OG1 3.28Å; C945-T947 PolarHBondContact O-N 3.29Å
948	S	65.9	Low	84.8	Confident	67 Å²	67	54.1 Å²	54.1	47%	0.469	29%	0.291	S	S	.	.	S	Bend	trans	-73.5	151.4	176.9	70.2	0	0	0	0	112.1	C945 L946 K950	C945-S948 WeakPolarHBondContact O-CB 3.37Å; C945-S948 PolarHBondContact O-N 3.3Å; C945-S948 PolarHBondContact O-OG 3.1Å; L946-S948 PolarHBondContact O-N 3.45Å; S948-K950 PolarHBondContact O-N 2.88Å; S948-K950 PolarHBondContact OG-O 3.04Å
949	T	64.1	Low	84.5	Confident	148 Å²	148	62.1 Å²	62.1	91%	0.908	33%	0.326	S	S	*	.	S	Bend	trans	-74.9	11.9	-172.5	54.3	0	0	0	0	115
950	K	84	Confident	84.4	Confident	160 Å²	160	63.9 Å²	63.9	70%	0.696	34%	0.335	S	S	*	.	S	Bend	trans	-136.7	133.1	178.9	-65.4	-175.6	-180	-179.8	0	109.4	S948	S948-K950 PolarHBondContact O-N 2.88Å; S948-K950 PolarHBondContact OG-O 3.04Å
951	P	88	Confident	84.3	Confident	51 Å²	51	64.4 Å²	64.4	33%	0.331	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-63.9	147	176.6	29.3	-36.3	0	0	0	110.6	L907 L908 D953	L907-P951 HydrophobicContact CD2-CB 4.1Å; L907-P951 HydrophobicContact CD2-CG 4.01Å; L907-P951 HydrophobicContact CG-CB 3.98Å; L907-P951 HydrophobicContact CG-CG 4.41Å; L908-P951 WeakPolarHBondContact O-CA 3.14Å; P951-D953 PolarHBondContact O-N 3.25Å
952	I	89.9	Confident	84.4	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.026	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-67.9	126.2	179.4	-60.9	-173.2	0	0	0	109.4	L908 I909 D910 I941 L946 Q956 V957	L908-I952 PolarHBondContact O-N 3.47Å; I909-I952 WeakPolarHBondContact CG2-O 3.24Å; D910-I952 PolarHBondContact N-O 2.85Å; I941-I952 HydrophobicContact CD1-CD1 4.26Å; I941-I952 HydrophobicContact CG2-CD1 3.5Å; L946-I952 HydrophobicContact CD2-CD1 3.52Å; L946-I952 HydrophobicContact CD2-CG1 4.19Å; I952-Q956 HydrophobicContact CG2-CB 3.72Å; I952-V957 HydrophobicContact CG2-CG2 3.64Å
953	D	89.9	Confident	84.4	Confident	49 Å²	49	70.4 Å²	70.4	26%	0.262	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-91	164.5	-179	75.7	56.7	0	0	0	113.3	P951 S955 Q956 V957	P951-D953 PolarHBondContact O-N 3.25Å; D953-S955 PolarHBondContact O-N 3.24Å; D953-S955 WeakPolarHBondContact OD1-CA 3.4Å; D953-S955 WeakPolarHBondContact OD1-CB 3.47Å; D953-S955 PolarHBondContact OD1-N 3.07Å; D953-S955 PolarHBondContact OD1-OG 3.28Å; D953-Q956 WeakPolarHBondContact O-CB 3.3Å; D953-Q956 PolarHBondContact O-N 3.02Å; D953-Q956 PolarHBondContact OD1-N 3.05Å; D953-Q956 PolarHBondContact OD2-NE2 2.96Å; D953-V957 PolarHBondContact O-N 2.78Å
954	R	89.3	Confident	84.7	Confident	98 Å²	98	75.6 Å²	75.6	37%	0.37	39%	0.389	S	S	.	.	H	α-helix	trans	-58.2	-27.5	179.3	-163.2	-175.8	-159.3	171.3	17.2	114.9	N912 V913 K958	N912-R954 HydrophobicContact CB-CB 4.21Å; N912-R954 VanDerWaalsContact O-CD 3.26Å; N912-R954 WeakPolarHBondContact O-CD 3.46Å; N912-R954 PolarHBondContact O-NE 2.58Å; V913-R954 HydrophobicContact CG2-CB 3.86Å; V913-R954 HydrophobicContact CG2-CG 4.09Å; R954-K958 VanDerWaalsContact O-CB 3.28Å; R954-K958 WeakPolarHBondContact O-CB 3.45Å; R954-K958 PolarHBondContact O-N 3.47Å; R954-K958 VanDerWaalsContact O-N 3.13Å
955	S	88.6	Confident	85.3	Confident	68 Å²	68	73 Å²	73	48%	0.476	38%	0.375	S	S	.	.	H	α-helix	trans	-74.6	-35.1	176.1	86.1	0	0	0	0	111.8	D953 K959	D953-S955 PolarHBondContact O-N 3.24Å; D953-S955 WeakPolarHBondContact OD1-CA 3.4Å; D953-S955 WeakPolarHBondContact OD1-CB 3.47Å; D953-S955 PolarHBondContact OD1-N 3.07Å; D953-S955 PolarHBondContact OD1-OG 3.28Å; S955-K959 PolarHBondContact O-N 2.9Å
956	Q	88.2	Confident	86	Confident	76 Å²	76	75.7 Å²	75.7	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-69.8	-50.4	174.6	-61.5	172.4	26.1	0	0	110.6	I952 D953 K958 K959 L960	I952-Q956 HydrophobicContact CG2-CB 3.72Å; D953-Q956 WeakPolarHBondContact O-CB 3.3Å; D953-Q956 PolarHBondContact O-N 3.02Å; D953-Q956 PolarHBondContact OD1-N 3.05Å; D953-Q956 PolarHBondContact OD2-NE2 2.96Å; Q956-K958 PolarHBondContact O-N 3Å; Q956-K959 WeakPolarHBondContact O-CB 3.47Å; Q956-K959 PolarHBondContact O-N 3.14Å; Q956-L960 PolarHBondContact O-N 3.18Å
957	V	90.2	Very high	86.7	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-57.2	-36.1	175	176.5	0	0	0	0	112	I909 V913 I928 Y930 A939 I941 I952 D953 K959 L960 S961	I909-V957 HydrophobicContact CG2-CG2 4.36Å; V913-V957 HydrophobicContact CG1-CB 4.49Å; V913-V957 HydrophobicContact CG1-CG1 4.11Å; V913-V957 HydrophobicContact CG1-CG2 4.22Å; V913-V957 HydrophobicContact CG2-CB 4.19Å; V913-V957 HydrophobicContact CG2-CG2 3.89Å; I928-V957 HydrophobicContact CD1-CG1 3.89Å; I928-V957 HydrophobicContact CD1-CG2 4.31Å; Y930-V957 HydrophobicContact CD1-CG1 3.63Å; Y930-V957 HydrophobicContact CD2-CG1 4.36Å; Y930-V957 HydrophobicContact CE1-CG1 3.54Å; Y930-V957 HydrophobicContact CE2-CG1 4.26Å; Y930-V957 HydrophobicContact CG-CG1 4.06Å; A939-V957 HydrophobicContact CB-CG1 3.81Å; I941-V957 HydrophobicContact CD1-CG2 4.46Å; I952-V957 HydrophobicContact CG2-CG2 3.64Å; D953-V957 PolarHBondContact O-N 2.78Å; V957-K959 VanDerWaalsContact C-N 3.33Å; V957-K959 PolarHBondContact O-N 3.28Å; V957-L960 CarbonylContact O-C 3.51Å; V957-L960 PolarHBondContact O-N 3.23Å; V957-S961 PolarHBondContact O-N 2.77Å; V957-S961 PolarHBondContact O-OG 3.15Å
958	K	89.7	Confident	88	Confident	152 Å²	152	70.8 Å²	70.8	66%	0.661	35%	0.354	S	S	*	.	H	α-helix	trans	-63.7	-34	175.3	-176.5	-163.9	168.5	-157.6	0	112.9	R954 Q956 S961	R954-K958 VanDerWaalsContact O-CB 3.28Å; R954-K958 WeakPolarHBondContact O-CB 3.45Å; R954-K958 PolarHBondContact O-N 3.47Å; R954-K958 VanDerWaalsContact O-N 3.13Å; Q956-K958 PolarHBondContact O-N 3Å; K958-S961 WeakPolarHBondContact O-CB 3.45Å; K958-S961 PolarHBondContact O-OG 2.99Å
959	K	89.7	Confident	89.2	Confident	167 Å²	167	70.2 Å²	70.2	73%	0.726	34%	0.344	S	S	*	.	H	α-helix	trans	-71	-46.1	173.6	-67.4	175.3	-178.9	-179	0	110.3	S955 Q956 V957 S961	S955-K959 PolarHBondContact O-N 2.9Å; Q956-K959 WeakPolarHBondContact O-CB 3.47Å; Q956-K959 PolarHBondContact O-N 3.14Å; V957-K959 VanDerWaalsContact C-N 3.33Å; V957-K959 PolarHBondContact O-N 3.28Å; K959-S961 PolarHBondContact O-N 2.85Å
960	L	91.6	Very high	90.7	Very high	37 Å²	37	64.6 Å²	64.6	19%	0.194	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	15.4	179.7	-63.2	175.5	0	0	0	114.6	A939 V940 I941 Q956 V957 P1015 V1016	A939-L960 CarbonylContact C-O 3.57Å; A939-L960 WeakPolarHBondContact CA-O 3.22Å; A939-L960 HydrophobicContact CB-CB 4.5Å; A939-L960 WeakPolarHBondContact CB-O 3.49Å; V940-L960 PolarHBondContact N-O 3.16Å; I941-L960 HydrophobicContact CG1-CD1 3.98Å; Q956-L960 PolarHBondContact O-N 3.18Å; V957-L960 CarbonylContact O-C 3.51Å; V957-L960 PolarHBondContact O-N 3.23Å; L960-P1015 HydrophobicContact CD2-CG 4.09Å; L960-V1016 VanDerWaalsContact C-CG2 3.49Å
961	S	93.2	Very high	91.3	Very high	11 Å²	11	57.2 Å²	57.2	8%	0.077	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-94.2	124.1	-173.2	-69.5	0	0	0	0	112.9	Y930 I938 V957 K958 K959	Y930-S961 WeakPolarHBondContact CE1-OG 3.4Å; Y930-S961 PolarHBondContact OH-OG 3.38Å; I938-S961 CarbonylContact O-C 3.59Å; I938-S961 WeakPolarHBondContact O-CA 3.21Å; V957-S961 PolarHBondContact O-N 2.77Å; V957-S961 PolarHBondContact O-OG 3.15Å; K958-S961 WeakPolarHBondContact O-CB 3.45Å; K958-S961 PolarHBondContact O-OG 2.99Å; K959-S961 PolarHBondContact O-N 2.85Å
962	L	93.5	Very high	91.6	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-61.6	136.3	175.9	-65.3	178	0	0	0	112	I938 V940 T965 L983 F994 V1016 F1019	I938-L962 HydrophobicContact CG2-CD1 4.09Å; I938-L962 PolarHBondContact O-N 3.4Å; V940-L962 HydrophobicContact CG2-CD1 3.9Å; V940-L962 HydrophobicContact CG2-CD2 4.07Å; V940-L962 HydrophobicContact CG2-CG 3.92Å; L962-T965 HydrophobicContact CB-CG2 3.66Å; L962-T965 PolarHBondContact O-OG1 3.28Å; L962-L983 HydrophobicContact CD1-CD1 4.18Å; L962-L983 HydrophobicContact CD1-CD2 4.2Å; L962-F994 HydrophobicContact CB-CE1 4.13Å; L962-F994 HydrophobicContact CB-CZ 4.31Å; L962-F994 HydrophobicContact CD1-CD1 4.39Å; L962-F994 HydrophobicContact CD1-CE1 4.36Å; L962-V1016 HydrophobicContact CD2-CG1 4.31Å; L962-F1019 HydrophobicContact CD2-CB 3.62Å; L962-F1019 HydrophobicContact CD2-CD2 4.09Å; L962-F1019 HydrophobicContact CD2-CG 4.15Å
963	E	89.8	Confident	91.7	Very high	149 Å²	149	55.4 Å²	55.4	70%	0.696	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	159.1	174.4	-66.7	-144.7	139.2	0	0	112.7	T965 F994	E963-T965 WeakPolarHBondContact O-CG2 3.41Å; E963-T965 PolarHBondContact O-N 2.99Å; E963-F994 WeakPolarHBondContact O-CZ 3.43Å
964	K	90.8	Very high	91.7	Very high	110 Å²	110	53.3 Å²	53.3	48%	0.478	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-2.9	-178.6	-49.8	-167.1	-167.2	168.3	0	117.1	K966 I1021 E1024	K964-K966 PolarHBondContact O-N 3.03Å; K964-I1021 HydrophobicContact CB-CD1 4.48Å; K964-I1021 HydrophobicContact CD-CD1 3.74Å; K964-I1021 HydrophobicContact CG-CD1 4.01Å; K964-E1024 WeakPolarHBondContact CD-OE1 3.3Å; K964-E1024 WeakPolarHBondContact CE-OE1 3.15Å; K964-E1024 IonicContact NZ-OE1 2.72Å; K964-E1024 PolarHBondContact NZ-OE1 2.54Å
965	T	93.9	Very high	91.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.			trans	-78.8	7.7	176.3	68.8	0	0	0	0	114.5	I938 L962 E963 G967 A968 A985 F994	I938-T965 HydrophobicContact CB-CG2 4.04Å; I938-T965 HydrophobicContact CD1-CG2 3.98Å; I938-T965 HydrophobicContact CG1-CG2 4.38Å; I938-T965 PolarHBondContact N-OG1 2.83Å; I938-T965 VanDerWaalsContact N-OG1 3.13Å; L962-T965 HydrophobicContact CB-CG2 3.66Å; L962-T965 PolarHBondContact O-OG1 3.28Å; E963-T965 WeakPolarHBondContact O-CG2 3.41Å; E963-T965 PolarHBondContact O-N 2.99Å; T965-G967 PolarHBondContact O-N 3.42Å; T965-A968 WeakPolarHBondContact O-CB 3.26Å; T965-A968 PolarHBondContact O-N 3.49Å; T965-A985 HydrophobicContact CG2-CB 4.24Å; T965-F994 HydrophobicContact CG2-CE2 3.98Å; T965-F994 HydrophobicContact CG2-CZ 3.62Å
966	K	92.5	Very high	90.7	Very high	117 Å²	117	53.2 Å²	53.2	51%	0.509	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	117.8	179.6	-173.7	177.6	-170.3	-83.2	0	110.4	E935 K964 V987	E935-K966 IonicContact OE1-NZ 3.83Å; E935-K966 PolarHBondContact OE1-NZ 2.95Å; E935-K966 WeakPolarHBondContact OE2-CE 3.27Å; E935-K966 IonicContact OE2-NZ 2.76Å; E935-K966 PolarHBondContact OE2-NZ 3.07Å; K964-K966 PolarHBondContact O-N 3.03Å; K966-V987 WeakPolarHBondContact O-CG1 3.42Å
967	G	91.7	Very high	89.9	Confident	18 Å²	18	55.4 Å²	55.4	19%	0.186	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	21	-171.2	0	0	0	0	0	113.9	G936 T965 Q969	G936-G967 PolarHBondContact O-N 3.38Å; T965-G967 PolarHBondContact O-N 3.42Å; G967-Q969 PolarHBondContact O-N 3.03Å
968	A	93.4	Very high	88.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.5	174.2	0	0	0	0	0	111.7	R929 I938 T965 A986 V987	R929-A968 WeakPolarHBondContact CD-O 3.45Å; R929-A968 PolarHBondContact NH1-O 3.39Å; I938-A968 HydrophobicContact CD1-CB 3.91Å; I938-A968 HydrophobicContact CG1-CB 4.09Å; T965-A968 WeakPolarHBondContact O-CB 3.26Å; T965-A968 PolarHBondContact O-N 3.49Å; A968-A986 CarbonylContact C-O 3.46Å; A968-A986 VanDerWaalsContact CA-O 3.23Å; A968-A986 WeakPolarHBondContact CA-O 2.99Å; A968-V987 HydrophobicContact CB-CG2 4.01Å
969	Q	92.2	Very high	88.1	Confident	56 Å²	56	56.9 Å²	56.9	26%	0.262	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-27.3	175.1	71.8	-94	11.3	0	0	113.8	R929 G967 A986 N988 I1031	R929-Q969 VanDerWaalsContact CD-C 3.49Å; R929-Q969 WeakPolarHBondContact CD-O 3.11Å; R929-Q969 PolarHBondContact NE-O 3.05Å; G967-Q969 PolarHBondContact O-N 3.03Å; Q969-A986 PolarHBondContact N-O 2.75Å; Q969-A986 PolarHBondContact OE1-O 2.8Å; Q969-A986 VanDerWaalsContact OE1-O 3.05Å; Q969-N988 PolarHBondContact NE2-O 3.39Å; Q969-I1031 PolarHBondContact NE2-O 3.47Å
970	L	94.6	Very high	87.6	Confident	29 Å²	29	51.7 Å²	51.7	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.5	175.4	61.9	83	0	0	0	111.1	A986 Q1032 L1034	L970-A986 HydrophobicContact CD1-CB 3.56Å; L970-A986 HydrophobicContact CG-CB 3.82Å; L970-A986 PolarHBondContact O-N 3.14Å; L970-Q1032 VanDerWaalsContact CD2-O 3.28Å; L970-Q1032 WeakPolarHBondContact CD2-O 3.46Å; L970-L1034 HydrophobicContact CD1-CB 3.67Å; L970-L1034 HydrophobicContact CD1-CD2 4.03Å
971	F	96.2	Very high	87.4	Confident	6 Å²	6	50 Å²	50	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	165.6	165.5	67.7	-99.1	0	0	0	111.9	Q917 E919 I927 R929 I938 I973 A984	Q917-F971 HydrophobicContact CB-CE1 3.99Å; Q917-F971 VanDerWaalsContact CD-CE1 3.48Å; Q917-F971 HydrophobicContact CG-CD1 4.29Å; Q917-F971 HydrophobicContact CG-CE1 3.68Å; Q917-F971 HydrophobicContact CG-CZ 3.85Å; Q917-F971 PolarHBondContact NE2-O 3.02Å; E919-F971 HydrophobicContact CB-CE2 3.93Å; E919-F971 HydrophobicContact CB-CZ 4.14Å; I927-F971 HydrophobicContact CB-CE2 4.46Å; I927-F971 HydrophobicContact CB-CZ 4.32Å; I927-F971 HydrophobicContact CG2-CD2 4.42Å; I927-F971 HydrophobicContact CG2-CE1 4.16Å; I927-F971 HydrophobicContact CG2-CE2 4.03Å; I927-F971 HydrophobicContact CG2-CZ 3.88Å; R929-F971 HydrophobicContact CB-CD1 4.04Å; R929-F971 HydrophobicContact CB-CE1 3.96Å; I938-F971 HydrophobicContact CD1-CB 3.76Å; I938-F971 HydrophobicContact CD1-CD1 4.23Å; I938-F971 HydrophobicContact CD1-CG 4.37Å; I938-F971 HydrophobicContact CG1-CD1 4.15Å; I938-F971 HydrophobicContact CG2-CD1 4.47Å; F971-I973 HydrophobicContact CD2-CD1 4.17Å; F971-I973 HydrophobicContact CD2-CG1 3.83Å; F971-I973 HydrophobicContact CE2-CD1 3.68Å; F971-I973 HydrophobicContact CE2-CG1 3.84Å; F971-A984 CarbonylContact C-O 3.54Å; F971-A984 VanDerWaalsContact CA-O 3.23Å; F971-A984 WeakPolarHBondContact CA-O 3.29Å
972	A	94.6	Very high	87.3	Confident	8 Å²	8	51.2 Å²	51.2	7%	0.066	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.4	166.6	0	0	0	0	0	110.2	L983 A984 L1034	A972-L983 WeakPolarHBondContact O-CA 3.32Å; A972-A984 PolarHBondContact N-O 3.14Å; A972-A984 PolarHBondContact O-N 3.01Å; A972-L1034 HydrophobicContact CB-CB 4.33Å; A972-L1034 HydrophobicContact CB-CD2 4.19Å; A972-L1034 HydrophobicContact CB-CG 3.97Å; A972-L1034 WeakPolarHBondContact CB-O 3.47Å
973	I	92.8	Very high	87.3	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.5	-177.9	-55.1	-179.6	0	0	0	110	E919 A921 I927 F971 L981 R982 F1036	E919-I973 HydrophobicContact CB-CD1 3.93Å; E919-I973 HydrophobicContact CG-CD1 4.01Å; E919-I973 WeakPolarHBondContact OE2-CD1 3.27Å; E919-I973 WeakPolarHBondContact OE2-CG1 3.25Å; A921-I973 HydrophobicContact CB-CD1 4.09Å; A921-I973 HydrophobicContact CB-CG2 4.2Å; I927-I973 HydrophobicContact CB-CD1 3.94Å; I927-I973 HydrophobicContact CD1-CD1 3.8Å; I927-I973 HydrophobicContact CG1-CD1 4.08Å; I927-I973 HydrophobicContact CG2-CD1 4.35Å; F971-I973 HydrophobicContact CD2-CD1 4.17Å; F971-I973 HydrophobicContact CD2-CG1 3.83Å; F971-I973 HydrophobicContact CE2-CD1 3.68Å; F971-I973 HydrophobicContact CE2-CG1 3.84Å; I973-L981 HydrophobicContact CG2-CD1 3.4Å; I973-L981 VanDerWaalsContact CG2-CD1 3.4Å; I973-L981 HydrophobicContact CG2-CG 4.47Å; I973-R982 WeakPolarHBondContact CA-O 3.4Å; I973-F1036 VanDerWaalsContact C-CD2 3.47Å
974	S	89.6	Confident	87.5	Confident	4 Å²	4	44 Å²	44	3%	0.028	23%	0.234	C	C	.	.			trans	-72.3	135.5	170.7	65.7	0	0	0	0	111.3	L981 R982 E1038	S974-L981 WeakPolarHBondContact OG-CA 3.37Å; S974-R982 PolarHBondContact N-O 3.4Å; S974-R982 PolarHBondContact OG-N 2.88Å; S974-E1038 VanDerWaalsContact C-OE1 3.28Å; S974-E1038 WeakPolarHBondContact CA-OE1 3.5Å; S974-E1038 WeakPolarHBondContact CB-OE1 3.32Å
975	K	80.9	Confident	87.8	Confident	146 Å²	146	38.8 Å²	38.8	64%	0.635	21%	0.211	S	C	*	.			trans	-102.5	-25.4	-173.3	-63.6	-179.9	-179.3	-179.6	0	112.2	E919 Q922 E1038	E919-K975 VanDerWaalsContact OE1-CE 3.28Å; E919-K975 WeakPolarHBondContact OE1-CE 3.42Å; E919-K975 IonicContact OE1-NZ 3.69Å; Q922-K975 PolarHBondContact NE2-O 3.27Å; K975-E1038 PolarHBondContact N-OE1 3.33Å; K975-E1038 PolarHBondContact N-OE2 3.38Å
976	S	75.4	Confident	87.9	Confident	19 Å²	19	38.8 Å²	38.8	13%	0.133	21%	0.211	C	C	.	.			trans	-58.4	130.2	179.8	176.9	0	0	0	0	112.9	Q922 S978 E1038	Q922-S976 VanDerWaalsContact NE2-C 3.27Å; Q922-S976 PolarHBondContact NE2-O 3.15Å; S976-S978 VanDerWaalsContact C-N 3.31Å; S976-S978 PolarHBondContact OG-N 2.95Å; S976-S978 VanDerWaalsContact OG-N 3.14Å; S976-S978 PolarHBondContact OG-OG 3.36Å; S976-E1038 WeakPolarHBondContact CB-OE2 3.18Å; S976-E1038 VanDerWaalsContact N-CD 3.34Å; S976-E1038 PolarHBondContact N-OE1 3.25Å; S976-E1038 VanDerWaalsContact N-OE1 3.15Å; S976-E1038 PolarHBondContact N-OE2 3.44Å
977	P	70.9	Confident	87.9	Confident	122 Å²	122	34.1 Å²	34.1	79%	0.792	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.1	171.7	34.4	-35.8	0	0	0	113.2	H979	P977-H979 VanDerWaalsContact C-N 3.34Å
978	S	69.9	Low	87.6	Confident	93 Å²	93	38.1 Å²	38.1	65%	0.65	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.8	178.6	70.8	0	0	0	0	113.3	S976	S976-S978 VanDerWaalsContact C-N 3.31Å; S976-S978 PolarHBondContact OG-N 2.95Å; S976-S978 VanDerWaalsContact OG-N 3.14Å; S976-S978 PolarHBondContact OG-OG 3.36Å
979	H	72.6	Confident	87.5	Confident	89 Å²	89	44.2 Å²	44.2	41%	0.412	23%	0.232	S	C	.	.	S	Bend	trans	-126.6	149.8	-177.4	-70.3	-8.7	0	0	0	110.5	P977 L981	P977-H979 VanDerWaalsContact C-N 3.34Å; H979-L981 PolarHBondContact O-N 3.11Å
980	P	79.2	Confident	87.5	Confident	58 Å²	58	44 Å²	44	38%	0.377	23%	0.23	S	C	.	.			trans	-63.7	132.8	177.2	28	-35.6	0	0	0	110	R982 Q995	P980-R982 VanDerWaalsContact O-CD 3.25Å; P980-R982 WeakPolarHBondContact O-CD 3.2Å; P980-R982 VanDerWaalsContact O-CG 3.29Å; P980-R982 WeakPolarHBondContact O-CG 3.11Å; P980-R982 PolarHBondContact O-N 2.96Å; P980-Q995 HydrophobicContact CB-CG 3.82Å; P980-Q995 VanDerWaalsContact CG-CD 3.44Å; P980-Q995 HydrophobicContact CG-CG 3.94Å; P980-Q995 VanDerWaalsContact CG-OE1 3.28Å
981	L	88.1	Confident	87.5	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.223	C	C	.	.			trans	-52	120.3	-177.7	176.9	70.4	0	0	0	111.1	A921 F923 L925 I973 S974 H979 W996 F1019	A921-L981 HydrophobicContact CB-CD1 4.31Å; A921-L981 HydrophobicContact CB-CD2 4.33Å; F923-L981 HydrophobicContact CD2-CB 4.39Å; F923-L981 HydrophobicContact CD2-CD2 4.07Å; F923-L981 HydrophobicContact CE2-CB 4.02Å; L925-L981 HydrophobicContact CD1-CD2 3.79Å; I973-L981 HydrophobicContact CG2-CD1 3.4Å; I973-L981 VanDerWaalsContact CG2-CD1 3.4Å; I973-L981 HydrophobicContact CG2-CG 4.47Å; S974-L981 WeakPolarHBondContact OG-CA 3.37Å; H979-L981 PolarHBondContact O-N 3.11Å; L981-W996 HydrophobicContact CB-CB 3.84Å; L981-W996 HydrophobicContact CB-CG 4.44Å; L981-W996 HydrophobicContact CD2-CB 4.41Å; L981-W996 HydrophobicContact CG-CB 4.4Å; L981-W996 VanDerWaalsContact O-CB 3.3Å; L981-W996 WeakPolarHBondContact O-CB 3.29Å; L981-W996 PolarHBondContact O-N 3.42Å; L981-F1019 HydrophobicContact CD2-CZ 4.03Å; L981-F1019 HydrophobicContact CG-CZ 4.34Å
982	R	90.3	Very high	87.5	Confident	38 Å²	38	42.3 Å²	42.3	14%	0.143	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.1	-177.5	-75.1	141.6	163.1	-106.4	-30.5	110.4	I973 S974 P980 F994 Q995 F1036 E1058	I973-R982 WeakPolarHBondContact CA-O 3.4Å; S974-R982 PolarHBondContact N-O 3.4Å; S974-R982 PolarHBondContact OG-N 2.88Å; P980-R982 VanDerWaalsContact O-CD 3.25Å; P980-R982 WeakPolarHBondContact O-CD 3.2Å; P980-R982 VanDerWaalsContact O-CG 3.29Å; P980-R982 WeakPolarHBondContact O-CG 3.11Å; P980-R982 PolarHBondContact O-N 2.96Å; R982-F994 VanDerWaalsContact CA-O 3.29Å; R982-F994 WeakPolarHBondContact CA-O 3.45Å; R982-Q995 HydrophobicContact CG-CB 4.08Å; R982-Q995 HydrophobicContact CG-CG 4Å; R982-F1036 HydrophobicContact CB-CE1 3.96Å; R982-F1036 HydrophobicContact CB-CE2 4.36Å; R982-F1036 HydrophobicContact CB-CZ 3.66Å; R982-E1058 IonicContact CZ-OE1 2.8Å; R982-E1058 IonicContact CZ-OE2 3.71Å; R982-E1058 VanDerWaalsContact NH1-CD 3.29Å; R982-E1058 IonicContact NH1-OE1 3.84Å; R982-E1058 PolarHBondContact NH1-OE1 3.39Å; R982-E1058 IonicContact NH1-OE2 2.72Å; R982-E1058 PolarHBondContact NH1-OE2 2.91Å; R982-E1058 IonicContact NH2-OE1 2.82Å; R982-E1058 PolarHBondContact NH2-OE1 2.93Å; R982-E1058 IonicContact NH2-OE2 3.7Å
983	L	93.9	Very high	87.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.4	175.9	177.5	150.3	0	0	0	109	I927 I938 L962 A972 A985 I993 F994 F1019	I927-L983 HydrophobicContact CD1-CD1 3.67Å; I927-L983 HydrophobicContact CG2-CD1 3.63Å; I938-L983 HydrophobicContact CD1-CD2 4.41Å; I938-L983 HydrophobicContact CG2-CD1 4.22Å; L962-L983 HydrophobicContact CD1-CD1 4.18Å; L962-L983 HydrophobicContact CD1-CD2 4.2Å; A972-L983 WeakPolarHBondContact O-CA 3.32Å; L983-A985 HydrophobicContact CD2-CB 4.08Å; L983-I993 WeakPolarHBondContact O-CA 3.38Å; L983-F994 HydrophobicContact CB-CB 4.4Å; L983-F994 HydrophobicContact CD2-CD2 3.56Å; L983-F994 HydrophobicContact CD2-CE2 4Å; L983-F994 HydrophobicContact CD2-CG 4.35Å; L983-F994 PolarHBondContact N-O 3.44Å; L983-F994 PolarHBondContact O-N 2.9Å; L983-F1019 HydrophobicContact CB-CE1 4.07Å; L983-F1019 HydrophobicContact CB-CZ 4.46Å
984	A	94.8	Very high	87.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.3	174.9	0	0	0	0	0	109.9	F971 A972 I991 V992 I993 L1034 F1036 L1045	F971-A984 CarbonylContact C-O 3.54Å; F971-A984 VanDerWaalsContact CA-O 3.23Å; F971-A984 WeakPolarHBondContact CA-O 3.29Å; A972-A984 PolarHBondContact N-O 3.14Å; A972-A984 PolarHBondContact O-N 3.01Å; A984-I991 HydrophobicContact CB-CG2 4.1Å; A984-V992 WeakPolarHBondContact CA-O 3.14Å; A984-I993 HydrophobicContact CB-CG1 4.39Å; A984-L1034 HydrophobicContact CB-CD2 3.8Å; A984-L1034 WeakPolarHBondContact O-CD2 3.42Å; A984-F1036 HydrophobicContact CB-CE2 3.99Å; A984-F1036 HydrophobicContact CB-CZ 3.76Å; A984-L1045 HydrophobicContact CB-CD2 3.45Å; A984-L1045 VanDerWaalsContact CB-CD2 3.45Å
985	A	96.2	Very high	87.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.9	179.7	0	0	0	0	0	110.7	I938 T965 L983 I991 V992 F994	I938-A985 HydrophobicContact CD1-CB 3.43Å; I938-A985 VanDerWaalsContact CD1-CB 3.43Å; T965-A985 HydrophobicContact CG2-CB 4.24Å; L983-A985 HydrophobicContact CD2-CB 4.08Å; A985-I991 WeakPolarHBondContact O-CA 3.38Å; A985-V992 PolarHBondContact N-O 3.29Å; A985-V992 PolarHBondContact O-N 2.88Å; A985-F994 HydrophobicContact CB-CE2 4.07Å
986	A	95.3	Very high	87.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.3	173.6	0	0	0	0	0	110.2	A968 Q969 L970 K990 I1031	A968-A986 CarbonylContact C-O 3.46Å; A968-A986 VanDerWaalsContact CA-O 3.23Å; A968-A986 WeakPolarHBondContact CA-O 2.99Å; Q969-A986 PolarHBondContact N-O 2.75Å; Q969-A986 PolarHBondContact OE1-O 2.8Å; Q969-A986 VanDerWaalsContact OE1-O 3.05Å; L970-A986 HydrophobicContact CD1-CB 3.56Å; L970-A986 HydrophobicContact CG-CB 3.82Å; L970-A986 PolarHBondContact O-N 3.14Å; A986-K990 WeakPolarHBondContact CA-O 3.35Å; A986-I1031 HydrophobicContact CB-CB 4.07Å; A986-I1031 HydrophobicContact CB-CD1 3.68Å; A986-I1031 HydrophobicContact CB-CG1 4.5Å; A986-I1031 HydrophobicContact CB-CG2 4.2Å
987	V	93.4	Very high	88	Confident	18 Å²	18	39 Å²	39	11%	0.109	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	96	-177.4	-179.9	0	0	0	0	108.8	K966 A968 R989 K990	K966-V987 WeakPolarHBondContact O-CG1 3.42Å; A968-V987 HydrophobicContact CB-CG2 4.01Å; V987-R989 PolarHBondContact O-N 2.83Å; V987-K990 PolarHBondContact N-O 3.44Å; V987-K990 WeakPolarHBondContact O-CB 3.22Å; V987-K990 PolarHBondContact O-N 3.08Å
988	N	85.6	Confident	87.8	Confident	103 Å²	103	38.3 Å²	38.3	55%	0.551	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	-106.3	-168.7	-61.9	-85.8	0	0	0	111.7	Q969	Q969-N988 PolarHBondContact NE2-O 3.39Å
989	R	91.1	Very high	87.1	Confident	129 Å²	129	42.1 Å²	42.1	49%	0.487	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	31.1	179	-58.1	-166.2	170.3	172.8	-7.7	112.8	V987 M1027 V1028 D1029	V987-R989 PolarHBondContact O-N 2.83Å; R989-M1027 PolarHBondContact O-N 3.05Å; R989-V1028 PolarHBondContact NH1-O 3.48Å; R989-D1029 IonicContact CZ-OD1 2.69Å; R989-D1029 VanDerWaalsContact CZ-OD1 3.31Å; R989-D1029 IonicContact NE-OD1 3.68Å; R989-D1029 PolarHBondContact NE-OD1 3.46Å; R989-D1029 IonicContact NH2-OD1 3.98Å; R989-D1029 PolarHBondContact NH2-OD1 2.98Å
990	K	92.9	Very high	85.9	Confident	50 Å²	50	43.1 Å²	43.1	22%	0.217	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.5	-176.1	-170.4	-177.9	-176.6	179.3	0	110	A986 V987 V992 E1024 V1025	A986-K990 WeakPolarHBondContact CA-O 3.35Å; V987-K990 PolarHBondContact N-O 3.44Å; V987-K990 WeakPolarHBondContact O-CB 3.22Å; V987-K990 PolarHBondContact O-N 3.08Å; K990-V992 HydrophobicContact CD-CG2 4.26Å; K990-V992 HydrophobicContact CG-CG2 4.38Å; K990-E1024 VanDerWaalsContact CE-CD 3.5Å; K990-E1024 WeakPolarHBondContact CE-OE2 3.49Å; K990-E1024 IonicContact NZ-OE1 2.59Å; K990-E1024 IonicContact NZ-OE2 2.76Å; K990-E1024 PolarHBondContact NZ-OE2 3.25Å; K990-V1025 CarbonylContact C-O 3.08Å; K990-V1025 VanDerWaalsContact CA-O 3.3Å; K990-V1025 WeakPolarHBondContact CA-O 3.31Å; K990-V1025 WeakPolarHBondContact CG-O 3.28Å
991	I	94.5	Very high	84	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.1	167.5	-56.8	174.3	0	0	0	107.5	A984 A985 I993 E1024 V1025 M1027 I1031 L1034 V1047 L1056	A984-I991 HydrophobicContact CB-CG2 4.1Å; A985-I991 WeakPolarHBondContact O-CA 3.38Å; I991-I993 HydrophobicContact CG2-CD1 4.45Å; I991-I993 HydrophobicContact CG2-CG1 3.86Å; I991-E1024 WeakPolarHBondContact O-CA 3.43Å; I991-V1025 PolarHBondContact N-O 3.41Å; I991-V1025 PolarHBondContact O-N 3.27Å; I991-M1027 HydrophobicContact CD1-CG 4.34Å; I991-M1027 HydrophobicContact CD1-SD 4.18Å; I991-M1027 HydrophobicContact CG1-CG 4.33Å; I991-I1031 HydrophobicContact CD1-CD1 4.25Å; I991-I1031 HydrophobicContact CG1-CD1 3.55Å; I991-I1031 HydrophobicContact CG1-CG1 4.42Å; I991-L1034 HydrophobicContact CD1-CD1 4.03Å; I991-V1047 HydrophobicContact CD1-CG1 4.06Å; I991-V1047 HydrophobicContact CD1-CG2 3.78Å; I991-L1056 HydrophobicContact CD1-CD2 3.83Å
992	V	94.7	Very high	81.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.4	171.5	-172.8	0	0	0	0	107.7	A984 A985 K990 F994 I1021 R1023 E1024	A984-V992 WeakPolarHBondContact CA-O 3.14Å; A985-V992 PolarHBondContact N-O 3.29Å; A985-V992 PolarHBondContact O-N 2.88Å; K990-V992 HydrophobicContact CD-CG2 4.26Å; K990-V992 HydrophobicContact CG-CG2 4.38Å; V992-F994 HydrophobicContact CB-CE2 3.92Å; V992-F994 HydrophobicContact CB-CZ 4.46Å; V992-F994 HydrophobicContact CG1-CD2 4.22Å; V992-F994 HydrophobicContact CG1-CE2 3.52Å; V992-F994 HydrophobicContact CG1-CZ 3.73Å; V992-I1021 HydrophobicContact CG1-CG1 4.27Å; V992-I1021 HydrophobicContact CG1-CG2 3.87Å; V992-R1023 WeakPolarHBondContact CA-O 3.48Å; V992-E1024 HydrophobicContact CG1-CG 4.39Å; V992-E1024 HydrophobicContact CG2-CG 4.45Å
993	I	93.2	Very high	78.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.1	-175.9	-53.3	175.4	0	0	0	108.8	L983 A984 I991 I1021 I1022 R1023 L1045 E1058	L983-I993 WeakPolarHBondContact O-CA 3.38Å; A984-I993 HydrophobicContact CB-CG1 4.39Å; I991-I993 HydrophobicContact CG2-CD1 4.45Å; I991-I993 HydrophobicContact CG2-CG1 3.86Å; I993-I1021 CarbonylContact O-C 3.58Å; I993-I1022 PolarHBondContact O-N 3.43Å; I993-R1023 HydrophobicContact CB-CB 4.19Å; I993-R1023 HydrophobicContact CD1-CB 4.33Å; I993-R1023 PolarHBondContact N-O 2.98Å; I993-R1023 PolarHBondContact O-N 2.82Å; I993-L1045 HydrophobicContact CD1-CD1 3.77Å; I993-E1058 HydrophobicContact CD1-CG 4.01Å
994	F	93.2	Very high	76.4	Confident	3 Å²	3	62 Å²	62	1%	0.013	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	153.4	176.7	-54.8	-109.2	0	0	0	109.8	L962 E963 T965 R982 L983 A985 V992 F1019 Q1020 I1021	L962-F994 HydrophobicContact CB-CE1 4.13Å; L962-F994 HydrophobicContact CB-CZ 4.31Å; L962-F994 HydrophobicContact CD1-CD1 4.39Å; L962-F994 HydrophobicContact CD1-CE1 4.36Å; E963-F994 WeakPolarHBondContact O-CZ 3.43Å; T965-F994 HydrophobicContact CG2-CE2 3.98Å; T965-F994 HydrophobicContact CG2-CZ 3.62Å; R982-F994 VanDerWaalsContact CA-O 3.29Å; R982-F994 WeakPolarHBondContact CA-O 3.45Å; L983-F994 HydrophobicContact CB-CB 4.4Å; L983-F994 HydrophobicContact CD2-CD2 3.56Å; L983-F994 HydrophobicContact CD2-CE2 4Å; L983-F994 HydrophobicContact CD2-CG 4.35Å; L983-F994 PolarHBondContact N-O 3.44Å; L983-F994 PolarHBondContact O-N 2.9Å; A985-F994 HydrophobicContact CB-CE2 4.07Å; V992-F994 HydrophobicContact CB-CE2 3.92Å; V992-F994 HydrophobicContact CB-CZ 4.46Å; V992-F994 HydrophobicContact CG1-CD2 4.22Å; V992-F994 HydrophobicContact CG1-CE2 3.52Å; V992-F994 HydrophobicContact CG1-CZ 3.73Å; F994-F1019 HydrophobicContact CB-CB 4.4Å; F994-F1019 HydrophobicContact CB-CD1 3.8Å; F994-F1019 HydrophobicContact CB-CG 4.46Å; F994-F1019 HydrophobicContact CD1-CB 4.38Å; F994-Q1020 CarbonylContact C-O 3.38Å; F994-Q1020 VanDerWaalsContact CA-O 3.25Å; F994-Q1020 WeakPolarHBondContact CA-O 3.42Å; F994-I1021 HydrophobicContact CD1-CG1 3.51Å; F994-I1021 HydrophobicContact CE1-CD1 3.89Å; F994-I1021 HydrophobicContact CE1-CG1 3.34Å; F994-I1021 HydrophobicContact CG-CG1 4.28Å; F994-I1021 HydrophobicContact CZ-CD1 4.38Å; F994-I1021 HydrophobicContact CZ-CG1 4Å
995	Q	90.8	Very high	74	Confident	23 Å²	23	66.9 Å²	66.9	11%	0.107	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.2	171.3	-177.2	175.8	-83.5	0	0	110.1	P980 R982 H997 Q1020 I1022	P980-Q995 HydrophobicContact CB-CG 3.82Å; P980-Q995 VanDerWaalsContact CG-CD 3.44Å; P980-Q995 HydrophobicContact CG-CG 3.94Å; P980-Q995 VanDerWaalsContact CG-OE1 3.28Å; R982-Q995 HydrophobicContact CG-CB 4.08Å; R982-Q995 HydrophobicContact CG-CG 4Å; Q995-H997 PolarHBondContact NE2-CE1 3.04Å; Q995-H997 PolarHBondContact NE2-NE2 2.84Å; Q995-H997 PolarHBondContact O-CD2 3.34Å; Q995-Q1020 PolarHBondContact N-O 2.95Å; Q995-Q1020 PolarHBondContact O-N 3.12Å; Q995-I1022 HydrophobicContact CB-CD1 3.41Å; Q995-I1022 VanDerWaalsContact CB-CD1 3.41Å; Q995-I1022 HydrophobicContact CB-CG1 3.9Å; Q995-I1022 VanDerWaalsContact CD-CD1 3.47Å; Q995-I1022 HydrophobicContact CG-CD1 4.07Å
996	W	87.6	Confident	71.2	Confident	17 Å²	17	70 Å²	70	6%	0.064	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	123.4	173.1	-175	-98.9	0	0	0	110.1	F923 L925 L981 P1015 N1018 F1019	F923-W996 AromaticContact CD2-CD1 3.99Å; F923-W996 AromaticContact CD2-NE1 3.87Å; F923-W996 AromaticContact CE2-CD1 3.98Å; L925-W996 HydrophobicContact CD1-CD2 4.12Å; L925-W996 HydrophobicContact CD1-CE3 3.75Å; L925-W996 HydrophobicContact CD1-CH2 3.59Å; L925-W996 HydrophobicContact CD1-CZ2 3.98Å; L925-W996 HydrophobicContact CD1-CZ3 3.46Å; L925-W996 VanDerWaalsContact CD1-CZ3 3.46Å; L925-W996 HydrophobicContact CD2-CH2 3.77Å; L925-W996 HydrophobicContact CD2-CZ2 4.44Å; L925-W996 HydrophobicContact CD2-CZ3 4.2Å; L925-W996 HydrophobicContact CG-CH2 4.28Å; L925-W996 HydrophobicContact CG-CZ3 4.49Å; L981-W996 HydrophobicContact CB-CB 3.84Å; L981-W996 HydrophobicContact CB-CG 4.44Å; L981-W996 HydrophobicContact CD2-CB 4.41Å; L981-W996 HydrophobicContact CG-CB 4.4Å; L981-W996 VanDerWaalsContact O-CB 3.3Å; L981-W996 WeakPolarHBondContact O-CB 3.29Å; L981-W996 PolarHBondContact O-N 3.42Å; W996-P1015 HydrophobicContact CH2-CB 3.94Å; W996-P1015 HydrophobicContact CZ3-CB 4.04Å; W996-P1015 VanDerWaalsContact CZ3-O 3.3Å; W996-P1015 WeakPolarHBondContact CZ3-O 3.23Å; W996-N1018 CarbonylContact C-O 3.58Å; W996-N1018 WeakPolarHBondContact CA-O 3.36Å; W996-N1018 HydrophobicContact CD2-CB 3.83Å; W996-N1018 HydrophobicContact CE3-CB 3.59Å; W996-N1018 HydrophobicContact CH2-CB 3.87Å; W996-N1018 VanDerWaalsContact CH2-ND2 3.34Å; W996-N1018 WeakPolarHBondContact CH2-ND2 3.41Å; W996-N1018 HydrophobicContact CZ2-CB 4.06Å; W996-N1018 VanDerWaalsContact CZ2-ND2 3.27Å; W996-N1018 WeakPolarHBondContact CZ2-ND2 3.45Å; W996-N1018 HydrophobicContact CZ3-CB 3.63Å; W996-F1019 HydrophobicContact CB-CD1 4.32Å; W996-F1019 HydrophobicContact CB-CE1 3.98Å; W996-F1019 HydrophobicContact CB-CZ 4.35Å; W996-F1019 HydrophobicContact CE3-CD1 4.44Å; W996-F1019 AromaticContact CE3-CD2 3.57Å; W996-F1019 HydrophobicContact CE3-CD2 3.57Å; W996-F1019 HydrophobicContact CE3-CE1 4.36Å; W996-F1019 AromaticContact CE3-CE2 3.47Å; W996-F1019 HydrophobicContact CE3-CE2 3.47Å; W996-F1019 VanDerWaalsContact CE3-CE2 3.47Å; W996-F1019 HydrophobicContact CE3-CG 4.08Å; W996-F1019 AromaticContact CE3-CZ 3.89Å; W996-F1019 HydrophobicContact CE3-CZ 3.89Å; W996-F1019 AromaticContact CZ3-CD2 3.88Å; W996-F1019 HydrophobicContact CZ3-CD2 3.88Å; W996-F1019 AromaticContact CZ3-CE2 3.84Å; W996-F1019 HydrophobicContact CZ3-CE2 3.84Å
997	H	80.7	Confident	68.4	Low	75 Å²	75	80.6 Å²	80.6	35%	0.347	41%	0.412	S	S	.	.			trans	-107.3	111.7	172.1	-79.5	-96.5	0	0	0	109.9	Q995 F999 N1018	Q995-H997 PolarHBondContact NE2-CE1 3.04Å; Q995-H997 PolarHBondContact NE2-NE2 2.84Å; Q995-H997 PolarHBondContact O-CD2 3.34Å; H997-F999 PolarHBondContact O-N 3.14Å; H997-N1018 PolarHBondContact N-O 2.95Å
998	L	64.9	Low	65.8	Low	106 Å²	106	87.3 Å²	87.3	56%	0.555	45%	0.448	S	S	*	.			trans	-73.9	122.9	169.4	-161.8	78	0	0	0	109	T1000	L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.21Å
999	F	55.5	Low	63.6	Low	174 Å²	174	90.1 Å²	90.1	76%	0.763	46%	0.458	S	S	*	.			trans	-75.9	72.6	-173.4	-140	-79.2	0	0	0	112.3	H997 G1001	H997-F999 PolarHBondContact O-N 3.14Å; F999-G1001 PolarHBondContact O-N 2.9Å
1000	T	47.9	Very low	61	Low	109 Å²	109	92.3 Å²	92.3	67%	0.669	48%	0.478	S	S	*	.			trans	-69.4	93.9	176.2	53.5	0	0	0	0	110.2	L998 R1002	L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.21Å; T1000-R1002 PolarHBondContact O-N 2.85Å
1001	G	39	Very low	58.6	Low	63 Å²	63	93.7 Å²	93.7	65%	0.649	50%	0.499	S	S	*	.			trans	-61.9	85.6	-169.5	0	0	0	0	0	115.2	F999 S1003	F999-G1001 PolarHBondContact O-N 2.9Å; G1001-S1003 PolarHBondContact O-N 2.75Å
1002	R	35.8	Very low	56.6	Low	188 Å²	188	100.5 Å²	100.5	71%	0.709	53%	0.531	S	S	*	.			trans	-76.7	54.7	167.6	-73.3	-169.4	171.9	-164	-2.2	112.1	T1000	T1000-R1002 PolarHBondContact O-N 2.85Å
1003	S	35.5	Very low	54.8	Low	70 Å²	70	103.4 Å²	103.4	49%	0.49	55%	0.55	S	S	.	.			trans	-152.4	111.9	161.8	-172.5	0	0	0	0	110.4	G1001 S1005	G1001-S1003 PolarHBondContact O-N 2.75Å; S1003-S1005 PolarHBondContact O-N 2.96Å; S1003-S1005 PolarHBondContact OG-OG 3.36Å
1004	L	41.3	Very low	53.8	Low	172 Å²	172	106.6 Å²	106.6	90%	0.901	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	2.3	-177.6	-80.3	162.5	0	0	0	113.8
1005	S	45	Very low	53	Low	103 Å²	103	106.9 Å²	106.9	72%	0.72	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	8.2	-175.5	63.8	0	0	0	0	115.1	S1003	S1003-S1005 PolarHBondContact O-N 2.96Å; S1003-S1005 PolarHBondContact OG-OG 3.36Å
1006	S	36.7	Very low	52.7	Low	66 Å²	66	107.2 Å²	107.2	46%	0.462	57%	0.573	S	S	.	*			trans	-129.8	56	-172.4	-60.5	0	0	0	0	113.5	N1008	S1006-N1008 PolarHBondContact O-N 2.89Å
1007	W	36.5	Very low	52.4	Low	222 Å²	222	113.9 Å²	113.9	84%	0.841	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	4.9	-178.1	-113.4	46.7	0	0	0	116.4
1008	N	39.2	Very low	52.6	Low	160 Å²	160	110.8 Å²	110.8	86%	0.856	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	10.1	-172	-71.7	-9.6	0	0	0	114.7	S1006	S1006-N1008 PolarHBondContact O-N 2.89Å
1009	Q	38.8	Very low	53.8	Low	161 Å²	161	106.2 Å²	106.2	75%	0.752	57%	0.566	S	S	*	*			trans	-103	47	178.8	-71.9	-174	-31.5	0	0	113.3	A1011	Q1009-A1011 PolarHBondContact O-N 2.82Å
1010	L	37.1	Very low	55.4	Low	175 Å²	175	103 Å²	103	92%	0.916	55%	0.553	S	S	*	*			trans	-78.6	34.1	170.4	-93.8	164.8	0	0	0	113.1
1011	A	42.7	Very low	57.4	Low	80 Å²	80	100.6 Å²	100.6	66%	0.661	54%	0.536	S	S	*	.	S	Bend	trans	-76.4	139.9	169	0	0	0	0	0	109.5	Q1009 P1013	Q1009-A1011 PolarHBondContact O-N 2.82Å; A1011-P1013 WeakPolarHBondContact O-CD 3.19Å
1012	Q	52.9	Low	59.7	Low	143 Å²	143	100.7 Å²	100.7	67%	0.668	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-56.5	119.2	164.6	-78.2	-77.1	15.7	0	0	108	D1014	Q1012-D1014 PolarHBondContact O-N 3.39Å
1013	P	55.6	Low	62.2	Low	61 Å²	61	94.7 Å²	94.7	40%	0.396	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-68.4	133	-176.6	27.9	-34.1	0	0	0	109.8	Q942 A1011	Q942-P1013 PolarHBondContact NE2-O 3.48Å; A1011-P1013 WeakPolarHBondContact O-CD 3.19Å
1014	D	72.2	Confident	64.9	Low	67 Å²	67	93.9 Å²	93.9	36%	0.358	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-62.4	122.7	-178.7	-169.2	-44.5	0	0	0	109.5	Q1012 V1016 E1017 N1018	Q1012-D1014 PolarHBondContact O-N 3.39Å; D1014-V1016 PolarHBondContact O-N 2.87Å; D1014-V1016 VanDerWaalsContact O-N 3.14Å; D1014-V1016 VanDerWaalsContact OD1-CB 3.26Å; D1014-V1016 WeakPolarHBondContact OD1-CB 3.36Å; D1014-V1016 WeakPolarHBondContact OD1-CG2 3.4Å; D1014-V1016 PolarHBondContact OD1-N 2.95Å; D1014-E1017 HydrophobicContact CB-CB 4.25Å; D1014-E1017 HydrophobicContact CB-CG 4Å; D1014-E1017 PolarHBondContact O-N 3.28Å; D1014-E1017 VanDerWaalsContact O-N 3.15Å; D1014-N1018 PolarHBondContact O-N 3.17Å
1015	P	77.8	Confident	67.3	Low	10 Å²	10	86.1 Å²	86.1	7%	0.065	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.6	-179	28.8	-37.2	0	0	0	113.4	L925 V940 Q942 L960 W996	L925-P1015 HydrophobicContact CD2-CB 4.27Å; V940-P1015 HydrophobicContact CB-CB 4.42Å; V940-P1015 HydrophobicContact CG1-CB 3.85Å; Q942-P1015 HydrophobicContact CG-CB 4.27Å; Q942-P1015 HydrophobicContact CG-CG 4.22Å; L960-P1015 HydrophobicContact CD2-CG 4.09Å; W996-P1015 HydrophobicContact CH2-CB 3.94Å; W996-P1015 HydrophobicContact CZ3-CB 4.04Å; W996-P1015 VanDerWaalsContact CZ3-O 3.3Å; W996-P1015 WeakPolarHBondContact CZ3-O 3.23Å
1016	V	84	Confident	69.6	Low	30 Å²	30	88 Å²	88	18%	0.182	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-45.5	172.7	-175.7	0	0	0	0	110.8	L960 L962 D1014 N1018 F1019	L960-V1016 VanDerWaalsContact C-CG2 3.49Å; L962-V1016 HydrophobicContact CD2-CG1 4.31Å; D1014-V1016 PolarHBondContact O-N 2.87Å; D1014-V1016 VanDerWaalsContact O-N 3.14Å; D1014-V1016 VanDerWaalsContact OD1-CB 3.26Å; D1014-V1016 WeakPolarHBondContact OD1-CB 3.36Å; D1014-V1016 WeakPolarHBondContact OD1-CG2 3.4Å; D1014-V1016 PolarHBondContact OD1-N 2.95Å; V1016-N1018 VanDerWaalsContact C-N 3.3Å; V1016-N1018 PolarHBondContact O-N 3.45Å; V1016-F1019 PolarHBondContact O-N 2.87Å
1017	E	81.9	Confident	72.1	Confident	156 Å²	156	85.8 Å²	85.8	73%	0.729	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.8	-176.4	-66.5	-169.8	154.7	0	0	112.8	D1014 F1019	D1014-E1017 HydrophobicContact CB-CB 4.25Å; D1014-E1017 HydrophobicContact CB-CG 4Å; D1014-E1017 PolarHBondContact O-N 3.28Å; D1014-E1017 VanDerWaalsContact O-N 3.15Å; E1017-F1019 VanDerWaalsContact C-N 3.25Å; E1017-F1019 PolarHBondContact O-N 3.47Å
1018	N	85.1	Confident	74.6	Confident	10 Å²	10	80.2 Å²	80.2	5%	0.053	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.2	175.5	-69.2	-22.5	0	0	0	113.5	W996 H997 D1014 V1016 Q1020	W996-N1018 CarbonylContact C-O 3.58Å; W996-N1018 WeakPolarHBondContact CA-O 3.36Å; W996-N1018 HydrophobicContact CD2-CB 3.83Å; W996-N1018 HydrophobicContact CE3-CB 3.59Å; W996-N1018 HydrophobicContact CH2-CB 3.87Å; W996-N1018 VanDerWaalsContact CH2-ND2 3.34Å; W996-N1018 WeakPolarHBondContact CH2-ND2 3.41Å; W996-N1018 HydrophobicContact CZ2-CB 4.06Å; W996-N1018 VanDerWaalsContact CZ2-ND2 3.27Å; W996-N1018 WeakPolarHBondContact CZ2-ND2 3.45Å; W996-N1018 HydrophobicContact CZ3-CB 3.63Å; H997-N1018 PolarHBondContact N-O 2.95Å; D1014-N1018 PolarHBondContact O-N 3.17Å; V1016-N1018 VanDerWaalsContact C-N 3.3Å; V1016-N1018 PolarHBondContact O-N 3.45Å; N1018-Q1020 PolarHBondContact O-N 2.88Å
1019	F	89.2	Confident	77	Confident	11 Å²	11	74 Å²	74	5%	0.048	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	91.1	-178.3	-93.7	-61	0	0	0	112.4	L925 I927 V940 L962 L981 L983 F994 W996 V1016 E1017	L925-F1019 HydrophobicContact CD1-CE2 4.35Å; I927-F1019 HydrophobicContact CD1-CE2 3.93Å; I927-F1019 HydrophobicContact CD1-CZ 3.88Å; V940-F1019 HydrophobicContact CB-CE2 4.45Å; V940-F1019 HydrophobicContact CG1-CD2 4.31Å; V940-F1019 HydrophobicContact CG1-CE2 3.91Å; V940-F1019 HydrophobicContact CG2-CD2 3.83Å; V940-F1019 HydrophobicContact CG2-CE2 3.76Å; L962-F1019 HydrophobicContact CD2-CB 3.62Å; L962-F1019 HydrophobicContact CD2-CD2 4.09Å; L962-F1019 HydrophobicContact CD2-CG 4.15Å; L981-F1019 HydrophobicContact CD2-CZ 4.03Å; L981-F1019 HydrophobicContact CG-CZ 4.34Å; L983-F1019 HydrophobicContact CB-CE1 4.07Å; L983-F1019 HydrophobicContact CB-CZ 4.46Å; F994-F1019 HydrophobicContact CB-CB 4.4Å; F994-F1019 HydrophobicContact CB-CD1 3.8Å; F994-F1019 HydrophobicContact CB-CG 4.46Å; F994-F1019 HydrophobicContact CD1-CB 4.38Å; W996-F1019 HydrophobicContact CB-CD1 4.32Å; W996-F1019 HydrophobicContact CB-CE1 3.98Å; W996-F1019 HydrophobicContact CB-CZ 4.35Å; W996-F1019 HydrophobicContact CE3-CD1 4.44Å; W996-F1019 AromaticContact CE3-CD2 3.57Å; W996-F1019 HydrophobicContact CE3-CD2 3.57Å; W996-F1019 HydrophobicContact CE3-CE1 4.36Å; W996-F1019 AromaticContact CE3-CE2 3.47Å; W996-F1019 HydrophobicContact CE3-CE2 3.47Å; W996-F1019 VanDerWaalsContact CE3-CE2 3.47Å; W996-F1019 HydrophobicContact CE3-CG 4.08Å; W996-F1019 AromaticContact CE3-CZ 3.89Å; W996-F1019 HydrophobicContact CE3-CZ 3.89Å; W996-F1019 AromaticContact CZ3-CD2 3.88Å; W996-F1019 HydrophobicContact CZ3-CD2 3.88Å; W996-F1019 AromaticContact CZ3-CE2 3.84Å; W996-F1019 HydrophobicContact CZ3-CE2 3.84Å; V1016-F1019 PolarHBondContact O-N 2.87Å; E1017-F1019 VanDerWaalsContact C-N 3.25Å; E1017-F1019 PolarHBondContact O-N 3.47Å
1020	Q	88.9	Confident	79.5	Confident	106 Å²	106	68.7 Å²	68.7	50%	0.495	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.8	180	-60.1	-171.3	2.7	0	0	111.9	F994 Q995 N1018 I1022	F994-Q1020 CarbonylContact C-O 3.38Å; F994-Q1020 VanDerWaalsContact CA-O 3.25Å; F994-Q1020 WeakPolarHBondContact CA-O 3.42Å; Q995-Q1020 PolarHBondContact N-O 2.95Å; Q995-Q1020 PolarHBondContact O-N 3.12Å; N1018-Q1020 PolarHBondContact O-N 2.88Å; Q1020-I1022 PolarHBondContact O-N 3.26Å
1021	I	90.7	Very high	82.2	Confident	59 Å²	59	60.5 Å²	60.5	30%	0.303	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	108.7	177.6	-61.7	160.7	0	0	0	109.5	K964 V992 I993 F994 E1024	K964-I1021 HydrophobicContact CB-CD1 4.48Å; K964-I1021 HydrophobicContact CD-CD1 3.74Å; K964-I1021 HydrophobicContact CG-CD1 4.01Å; V992-I1021 HydrophobicContact CG1-CG1 4.27Å; V992-I1021 HydrophobicContact CG1-CG2 3.87Å; I993-I1021 CarbonylContact O-C 3.58Å; F994-I1021 HydrophobicContact CD1-CG1 3.51Å; F994-I1021 HydrophobicContact CE1-CD1 3.89Å; F994-I1021 HydrophobicContact CE1-CG1 3.34Å; F994-I1021 HydrophobicContact CG-CG1 4.28Å; F994-I1021 HydrophobicContact CZ-CD1 4.38Å; F994-I1021 HydrophobicContact CZ-CG1 4Å; I1021-E1024 HydrophobicContact CG2-CG 4.5Å
1022	I	87.6	Confident	84.6	Confident	64 Å²	64	61.1 Å²	61.1	33%	0.328	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-39.4	172.8	-64.6	-169.8	0	0	0	110.8	I993 Q995 Q1020	I993-I1022 PolarHBondContact O-N 3.43Å; Q995-I1022 HydrophobicContact CB-CD1 3.41Å; Q995-I1022 VanDerWaalsContact CB-CD1 3.41Å; Q995-I1022 HydrophobicContact CB-CG1 3.9Å; Q995-I1022 VanDerWaalsContact CD-CD1 3.47Å; Q995-I1022 HydrophobicContact CG-CD1 4.07Å; Q1020-I1022 PolarHBondContact O-N 3.26Å
1023	R	88	Confident	86.6	Confident	63 Å²	63	55.3 Å²	55.3	24%	0.238	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.6	-164.5	-159.1	150.4	-77.1	-132.6	4.9	115.7	V992 I993 V1025 E1058 R1059 K1061	V992-R1023 WeakPolarHBondContact CA-O 3.48Å; I993-R1023 HydrophobicContact CB-CB 4.19Å; I993-R1023 HydrophobicContact CD1-CB 4.33Å; I993-R1023 PolarHBondContact N-O 2.98Å; I993-R1023 PolarHBondContact O-N 2.82Å; R1023-V1025 HydrophobicContact CG-CG2 4.02Å; R1023-E1058 WeakPolarHBondContact CD-O 3.25Å; R1023-E1058 PolarHBondContact NE-O 2.89Å; R1023-E1058 PolarHBondContact NH1-O 3.48Å; R1023-R1059 VanDerWaalsContact NH1-C 3.32Å; R1023-R1059 PolarHBondContact NH1-O 2.96Å; R1023-R1059 PolarHBondContact NH2-O 3.45Å; R1023-K1061 VanDerWaalsContact NH1-CG 3.28Å
1024	E	92	Very high	88.4	Confident	52 Å²	52	53.2 Å²	53.2	24%	0.243	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.2	167	-61.2	-177.3	179.7	0	0	109.3	K964 K990 I991 V992 I1021 K1061	K964-E1024 WeakPolarHBondContact CD-OE1 3.3Å; K964-E1024 WeakPolarHBondContact CE-OE1 3.15Å; K964-E1024 IonicContact NZ-OE1 2.72Å; K964-E1024 PolarHBondContact NZ-OE1 2.54Å; K990-E1024 VanDerWaalsContact CE-CD 3.5Å; K990-E1024 WeakPolarHBondContact CE-OE2 3.49Å; K990-E1024 IonicContact NZ-OE1 2.59Å; K990-E1024 IonicContact NZ-OE2 2.76Å; K990-E1024 PolarHBondContact NZ-OE2 3.25Å; I991-E1024 WeakPolarHBondContact O-CA 3.43Å; V992-E1024 HydrophobicContact CG1-CG 4.39Å; V992-E1024 HydrophobicContact CG2-CG 4.45Å; I1021-E1024 HydrophobicContact CG2-CG 4.5Å; E1024-K1061 PolarHBondContact O-NZ 3.1Å
1025	V	92.1	Very high	89.3	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.1	178.9	-175.5	0	0	0	0	109	K990 I991 R1023 L1056 K1061	K990-V1025 CarbonylContact C-O 3.08Å; K990-V1025 VanDerWaalsContact CA-O 3.3Å; K990-V1025 WeakPolarHBondContact CA-O 3.31Å; K990-V1025 WeakPolarHBondContact CG-O 3.28Å; I991-V1025 PolarHBondContact N-O 3.41Å; I991-V1025 PolarHBondContact O-N 3.27Å; R1023-V1025 HydrophobicContact CG-CG2 4.02Å; V1025-L1056 HydrophobicContact CB-CD2 4.15Å; V1025-L1056 HydrophobicContact CG1-CD1 3.85Å; V1025-L1056 HydrophobicContact CG1-CD2 3.95Å; V1025-L1056 HydrophobicContact CG2-CD1 4.34Å; V1025-L1056 HydrophobicContact CG2-CD2 4.1Å; V1025-K1061 HydrophobicContact CG2-CD 4.33Å; V1025-K1061 HydrophobicContact CG2-CG 4.31Å
1026	H	91.8	Very high	89.9	Confident	144 Å²	144	51.9 Å²	51.9	67%	0.667	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	141.9	177	-65.4	106.1	0	0	0	110.8
1027	M	90.5	Very high	90	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.089	26%	0.257	C	S	.	.			trans	-113.6	153.9	-175.4	-66.6	-67.5	-61.3	0	0	111.1	R989 I991 D1029 I1031 V1047 Y1049 I1054	R989-M1027 PolarHBondContact O-N 3.05Å; I991-M1027 HydrophobicContact CD1-CG 4.34Å; I991-M1027 HydrophobicContact CD1-SD 4.18Å; I991-M1027 HydrophobicContact CG1-CG 4.33Å; M1027-D1029 VanDerWaalsContact C-N 3.33Å; M1027-D1029 WeakPolarHBondContact CB-O 3.48Å; M1027-I1031 HydrophobicContact CG-CD1 4Å; M1027-I1031 HydrophobicContact CG-CG1 3.98Å; M1027-V1047 HydrophobicContact CE-CB 4.15Å; M1027-V1047 HydrophobicContact CE-CG1 3.54Å; M1027-V1047 HydrophobicContact SD-CG1 4.28Å; M1027-Y1049 HydrophobicContact CE-CD1 3.81Å; M1027-Y1049 HydrophobicContact CE-CE1 3.68Å; M1027-I1054 HydrophobicContact CE-CD1 3.65Å; M1027-I1054 HydrophobicContact CE-CG1 4.39Å; M1027-I1054 HydrophobicContact SD-CD1 4.24Å
1028	V	88	Confident	89.9	Confident	105 Å²	105	45.3 Å²	45.3	64%	0.636	23%	0.232	S	C	*	.	S	Bend	trans	-68	-33.8	177.6	-178.4	0	0	0	0	111.8	R989 Y1049	R989-V1028 PolarHBondContact NH1-O 3.48Å; V1028-Y1049 HydrophobicContact CB-CE2 4.44Å
1029	D	90.5	Very high	89	Confident	29 Å²	29	45.3 Å²	45.3	16%	0.155	24%	0.235	C	C	.	.	S	Bend	trans	-141.9	179.3	176	-147.6	-3.1	0	0	0	113.5	R989 M1027 Y1049 R1050	R989-D1029 IonicContact CZ-OD1 2.69Å; R989-D1029 VanDerWaalsContact CZ-OD1 3.31Å; R989-D1029 IonicContact NE-OD1 3.68Å; R989-D1029 PolarHBondContact NE-OD1 3.46Å; R989-D1029 IonicContact NH2-OD1 3.98Å; R989-D1029 PolarHBondContact NH2-OD1 2.98Å; M1027-D1029 VanDerWaalsContact C-N 3.33Å; M1027-D1029 WeakPolarHBondContact CB-O 3.48Å; D1029-Y1049 HydrophobicContact CB-CD2 3.92Å; D1029-Y1049 HydrophobicContact CB-CE2 4.46Å; D1029-R1050 IonicContact OD2-CZ 2.7Å; D1029-R1050 IonicContact OD2-NE 2.71Å; D1029-R1050 PolarHBondContact OD2-NE 3.42Å; D1029-R1050 IonicContact OD2-NH2 3.27Å; D1029-R1050 PolarHBondContact OD2-NH2 3.12Å
1030	S	90.6	Very high	88	Confident	51 Å²	51	45.5 Å²	45.5	36%	0.357	24%	0.236	S	C	.	.			trans	-62.9	131.3	176.8	-164.1	0	0	0	0	111.2	Y1049	S1030-Y1049 WeakPolarHBondContact O-CB 3.39Å
1031	I	93.9	Very high	86.9	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.015	25%	0.246	C	C	.	.			trans	-75.4	128.3	179	-56.7	134	0	0	0	108.9	Q969 A986 I991 M1027 T1033 L1034 V1047	Q969-I1031 PolarHBondContact NE2-O 3.47Å; A986-I1031 HydrophobicContact CB-CB 4.07Å; A986-I1031 HydrophobicContact CB-CD1 3.68Å; A986-I1031 HydrophobicContact CB-CG1 4.5Å; A986-I1031 HydrophobicContact CB-CG2 4.2Å; I991-I1031 HydrophobicContact CD1-CD1 4.25Å; I991-I1031 HydrophobicContact CG1-CD1 3.55Å; I991-I1031 HydrophobicContact CG1-CG1 4.42Å; M1027-I1031 HydrophobicContact CG-CD1 4Å; M1027-I1031 HydrophobicContact CG-CG1 3.98Å; I1031-T1033 WeakPolarHBondContact CG2-O 3.49Å; I1031-L1034 HydrophobicContact CG2-CB 4.29Å; I1031-V1047 HydrophobicContact CB-CG1 4.45Å; I1031-V1047 HydrophobicContact CG1-CG1 3.97Å; I1031-V1047 HydrophobicContact CG2-CG1 3.78Å
1032	Q	93.3	Very high	85.6	Confident	92 Å²	92	43.3 Å²	43.3	43%	0.43	24%	0.237	S	C	.	.	S	Bend	trans	-100.5	-31.3	176.7	-78.9	163.5	-60.9	0	0	112.6	L970 G1048 Q1075 V1076	L970-Q1032 VanDerWaalsContact CD2-O 3.28Å; L970-Q1032 WeakPolarHBondContact CD2-O 3.46Å; Q1032-G1048 PolarHBondContact N-O 3.49Å; Q1032-Q1075 VanDerWaalsContact NE2-OE1 3.13Å; Q1032-V1076 HydrophobicContact CB-CG2 3.81Å
1033	T	93.7	Very high	85	Confident	22 Å²	22	41 Å²	41	14%	0.135	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	151.5	177	-174.1	0	0	0	0	110.6	I1031 G1048 F1053 V1076 V1077	I1031-T1033 WeakPolarHBondContact CG2-O 3.49Å; T1033-G1048 PolarHBondContact N-O 3.09Å; T1033-G1048 PolarHBondContact O-N 2.89Å; T1033-F1053 HydrophobicContact CG2-CE1 3.61Å; T1033-F1053 HydrophobicContact CG2-CZ 4.18Å; T1033-V1076 HydrophobicContact CG2-CB 4.11Å; T1033-V1076 HydrophobicContact CG2-CG2 4.02Å; T1033-V1077 PolarHBondContact OG1-O 3.2Å
1034	L	93.4	Very high	85	Confident	17 Å²	17	39.9 Å²	39.9	9%	0.089	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	130.1	-169.8	-177.7	63.7	0	0	0	109.3	L970 A972 A984 I991 I1031 L1045 C1046 V1047	L970-L1034 HydrophobicContact CD1-CB 3.67Å; L970-L1034 HydrophobicContact CD1-CD2 4.03Å; A972-L1034 HydrophobicContact CB-CB 4.33Å; A972-L1034 HydrophobicContact CB-CD2 4.19Å; A972-L1034 HydrophobicContact CB-CG 3.97Å; A972-L1034 WeakPolarHBondContact CB-O 3.47Å; A984-L1034 HydrophobicContact CB-CD2 3.8Å; A984-L1034 WeakPolarHBondContact O-CD2 3.42Å; I991-L1034 HydrophobicContact CD1-CD1 4.03Å; I1031-L1034 HydrophobicContact CG2-CB 4.29Å; L1034-L1045 HydrophobicContact CD1-CB 4.19Å; L1034-L1045 HydrophobicContact CD1-CD2 3.91Å; L1034-L1045 HydrophobicContact CG-CD2 4.45Å; L1034-C1046 WeakPolarHBondContact CA-O 3.34Å; L1034-V1047 HydrophobicContact CD1-CB 4.46Å; L1034-V1047 HydrophobicContact CD1-CG1 4.35Å; L1034-V1047 HydrophobicContact CD1-CG2 3.84Å
1035	S	92.2	Very high	85	Confident	38 Å²	38	37.4 Å²	37.4	27%	0.266	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.9	169	-171.7	0	0	0	0	110.2	L1045 C1046	S1035-L1045 CarbonylContact O-C 3.57Å; S1035-L1045 VanDerWaalsContact O-CA 3.22Å; S1035-L1045 WeakPolarHBondContact O-CA 3.19Å; S1035-C1046 PolarHBondContact N-O 3.38Å; S1035-C1046 PolarHBondContact O-N 2.79Å
1036	F	90.3	Very high	85	Confident	11 Å²	11	37 Å²	37	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	155.7	157.7	-71.9	-84.7	0	0	0	109.8	I973 R982 A984 E1038 L1045	I973-F1036 VanDerWaalsContact C-CD2 3.47Å; R982-F1036 HydrophobicContact CB-CE1 3.96Å; R982-F1036 HydrophobicContact CB-CE2 4.36Å; R982-F1036 HydrophobicContact CB-CZ 3.66Å; A984-F1036 HydrophobicContact CB-CE2 3.99Å; A984-F1036 HydrophobicContact CB-CZ 3.76Å; F1036-E1038 HydrophobicContact CB-CG 4.12Å; F1036-L1045 HydrophobicContact CD1-CD1 4.39Å; F1036-L1045 HydrophobicContact CD1-CD2 4.04Å; F1036-L1045 HydrophobicContact CD1-CG 3.87Å; F1036-L1045 HydrophobicContact CE1-CD1 4.22Å; F1036-L1045 HydrophobicContact CE1-CD2 3.8Å; F1036-L1045 HydrophobicContact CE1-CG 3.98Å; F1036-L1045 HydrophobicContact CE2-CD2 4.49Å; F1036-L1045 HydrophobicContact CG-CD2 4.49Å; F1036-L1045 HydrophobicContact CZ-CD2 4.05Å
1037	V	87	Confident	85.2	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	108.8	169.9	-177.8	0	0	0	0	105	K1044 C1046 L1055 E1081 L1090 L1103	V1037-K1044 HydrophobicContact CB-CB 4.41Å; V1037-K1044 PolarHBondContact N-O 3.18Å; V1037-C1046 HydrophobicContact CG2-CB 3.9Å; V1037-L1055 HydrophobicContact CB-CD1 4.44Å; V1037-L1055 HydrophobicContact CG2-CD1 3.91Å; V1037-E1081 VanDerWaalsContact CG1-OE1 3.23Å; V1037-E1081 WeakPolarHBondContact CG1-OE1 3.16Å; V1037-L1090 HydrophobicContact CG1-CD2 4.23Å; V1037-L1090 HydrophobicContact CG2-CD1 4.18Å; V1037-L1090 HydrophobicContact CG2-CD2 4.02Å; V1037-L1103 HydrophobicContact CG1-CD1 3.95Å
1038	E	78.5	Confident	85.4	Confident	44 Å²	44	29.3 Å²	29.3	21%	0.206	18%	0.176	C	C	.	.			trans	-101.5	-21.2	-163	-55.2	-163.2	125.8	0	0	113.2	S974 K975 S976 F1036 E1081	S974-E1038 VanDerWaalsContact C-OE1 3.28Å; S974-E1038 WeakPolarHBondContact CA-OE1 3.5Å; S974-E1038 WeakPolarHBondContact CB-OE1 3.32Å; K975-E1038 PolarHBondContact N-OE1 3.33Å; K975-E1038 PolarHBondContact N-OE2 3.38Å; S976-E1038 WeakPolarHBondContact CB-OE2 3.18Å; S976-E1038 VanDerWaalsContact N-CD 3.34Å; S976-E1038 PolarHBondContact N-OE1 3.25Å; S976-E1038 VanDerWaalsContact N-OE1 3.15Å; S976-E1038 PolarHBondContact N-OE2 3.44Å; F1036-E1038 HydrophobicContact CB-CG 4.12Å; E1038-E1081 VanDerWaalsContact N-CD 3.33Å; E1038-E1081 PolarHBondContact N-OE1 2.79Å; E1038-E1081 PolarHBondContact N-OE2 2.73Å
1039	G	66.7	Low	85.6	Confident	11 Å²	11	25.2 Å²	25.2	11%	0.113	15%	0.149	C	C	.	.	S	Bend	trans	-65	-38	175.7	0	0	0	0	0	113.1	P1041 E1081 W1083 H1088	G1039-P1041 VanDerWaalsContact O-CD 3.29Å; G1039-P1041 WeakPolarHBondContact O-CD 3.37Å; G1039-E1081 PolarHBondContact N-OE1 3.47Å; G1039-W1083 VanDerWaalsContact CA-CH2 3.49Å; G1039-H1088 VanDerWaalsContact CA-CE1 3.47Å; G1039-H1088 WeakPolarHBondContact CA-CE1 3.4Å; G1039-H1088 PolarHBondContact O-NE2 3.49Å
1040	I	68.9	Low	85.7	Confident	14 Å²	14	29.9 Å²	29.9	7%	0.072	16%	0.164	C	C	.	.	S	Bend	trans	-81	119.7	-175.6	-60.8	-172.6	0	0	0	112.1	G1042 K1044 L1103	I1040-G1042 PolarHBondContact O-N 3.12Å; I1040-G1042 VanDerWaalsContact O-N 3.11Å; I1040-K1044 HydrophobicContact CB-CD 4.49Å; I1040-K1044 HydrophobicContact CG2-CD 3.99Å; I1040-L1103 HydrophobicContact CD1-CB 3.71Å; I1040-L1103 HydrophobicContact CD1-CD1 3.47Å; I1040-L1103 VanDerWaalsContact CD1-CD1 3.47Å; I1040-L1103 HydrophobicContact CD1-CG 4.24Å; I1040-L1103 HydrophobicContact CG1-CD1 4.41Å
1041	P	64.1	Low	85.8	Confident	109 Å²	109	28.1 Å²	28.1	71%	0.708	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	118	174.4	-23.7	35.2	0	0	0	111.5	G1039	G1039-P1041 VanDerWaalsContact O-CD 3.29Å; G1039-P1041 WeakPolarHBondContact O-CD 3.37Å
1042	G	63.8	Low	85.8	Confident	11 Å²	11	29.1 Å²	29.1	11%	0.113	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	152.6	-42.3	-178.3	0	0	0	0	0	112.5	I1040 R1059	I1040-G1042 PolarHBondContact O-N 3.12Å; I1040-G1042 VanDerWaalsContact O-N 3.11Å; G1042-R1059 PolarHBondContact O-NE 3.49Å; G1042-R1059 PolarHBondContact O-NH2 2.97Å
1043	G	76	Confident	85.9	Confident	14 Å²	14	24.7 Å²	24.7	14%	0.144	14%	0.135	C	C	.	.			trans	84.4	101.4	-162.7	0	0	0	0	0	109.1	E1058	G1043-E1058 WeakPolarHBondContact O-CB 3.11Å; G1043-E1058 PolarHBondContact O-N 2.88Å
1044	K	87.3	Confident	85.9	Confident	40 Å²	40	24.1 Å²	24.1	17%	0.174	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.6	178.5	-57.4	-168.1	-179.2	-172.5	0	109.8	V1037 I1040 L1055 L1056 D1057	V1037-K1044 HydrophobicContact CB-CB 4.41Å; V1037-K1044 PolarHBondContact N-O 3.18Å; I1040-K1044 HydrophobicContact CB-CD 4.49Å; I1040-K1044 HydrophobicContact CG2-CD 3.99Å; K1044-L1055 HydrophobicContact CB-CD1 3.85Å; K1044-L1055 HydrophobicContact CB-CG 4.19Å; K1044-L1055 HydrophobicContact CD-CD1 4.44Å; K1044-L1055 HydrophobicContact CD-CD2 3.73Å; K1044-L1055 HydrophobicContact CD-CG 4.04Å; K1044-L1056 CarbonylContact C-O 3.48Å; K1044-L1056 VanDerWaalsContact CA-O 3.31Å; K1044-L1056 WeakPolarHBondContact CA-O 3.39Å; K1044-D1057 VanDerWaalsContact CE-OD2 3.22Å; K1044-D1057 WeakPolarHBondContact CE-OD2 3.42Å; K1044-D1057 IonicContact NZ-OD2 3.15Å
1045	L	91.3	Very high	85.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.7	176.9	-62.5	94.8	0	0	0	109.9	A984 I993 L1034 S1035 F1036 V1047 L1056	A984-L1045 HydrophobicContact CB-CD2 3.45Å; A984-L1045 VanDerWaalsContact CB-CD2 3.45Å; I993-L1045 HydrophobicContact CD1-CD1 3.77Å; L1034-L1045 HydrophobicContact CD1-CB 4.19Å; L1034-L1045 HydrophobicContact CD1-CD2 3.91Å; L1034-L1045 HydrophobicContact CG-CD2 4.45Å; S1035-L1045 CarbonylContact O-C 3.57Å; S1035-L1045 VanDerWaalsContact O-CA 3.22Å; S1035-L1045 WeakPolarHBondContact O-CA 3.19Å; F1036-L1045 HydrophobicContact CD1-CD1 4.39Å; F1036-L1045 HydrophobicContact CD1-CD2 4.04Å; F1036-L1045 HydrophobicContact CD1-CG 3.87Å; F1036-L1045 HydrophobicContact CE1-CD1 4.22Å; F1036-L1045 HydrophobicContact CE1-CD2 3.8Å; F1036-L1045 HydrophobicContact CE1-CG 3.98Å; F1036-L1045 HydrophobicContact CE2-CD2 4.49Å; F1036-L1045 HydrophobicContact CG-CD2 4.49Å; F1036-L1045 HydrophobicContact CZ-CD2 4.05Å; L1045-V1047 HydrophobicContact CB-CG2 4.32Å; L1045-L1056 PolarHBondContact N-O 3.47Å; L1045-L1056 PolarHBondContact O-N 3.3Å
1046	C	93.4	Very high	85.7	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.7	166.4	-165.9	0	0	0	0	108.2	L1034 S1035 V1037 I1054 A1079 L1090	L1034-C1046 WeakPolarHBondContact CA-O 3.34Å; S1035-C1046 PolarHBondContact N-O 3.38Å; S1035-C1046 PolarHBondContact O-N 2.79Å; V1037-C1046 HydrophobicContact CG2-CB 3.9Å; C1046-I1054 WeakPolarHBondContact CA-O 3.36Å; C1046-A1079 HydrophobicContact CB-CB 3.92Å; C1046-A1079 WeakPolarHBondContact SG-CB 3.37Å; C1046-L1090 HydrophobicContact CB-CD1 4.23Å
1047	V	95	Very high	85.6	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.6	-176.1	-164.8	0	0	0	0	109.2	I991 M1027 I1031 L1034 L1045 I1054 L1056	I991-V1047 HydrophobicContact CD1-CG1 4.06Å; I991-V1047 HydrophobicContact CD1-CG2 3.78Å; M1027-V1047 HydrophobicContact CE-CB 4.15Å; M1027-V1047 HydrophobicContact CE-CG1 3.54Å; M1027-V1047 HydrophobicContact SD-CG1 4.28Å; I1031-V1047 HydrophobicContact CB-CG1 4.45Å; I1031-V1047 HydrophobicContact CG1-CG1 3.97Å; I1031-V1047 HydrophobicContact CG2-CG1 3.78Å; L1034-V1047 HydrophobicContact CD1-CB 4.46Å; L1034-V1047 HydrophobicContact CD1-CG1 4.35Å; L1034-V1047 HydrophobicContact CD1-CG2 3.84Å; L1045-V1047 HydrophobicContact CB-CG2 4.32Å; V1047-I1054 HydrophobicContact CB-CG1 3.91Å; V1047-I1054 HydrophobicContact CG2-CG1 4.47Å; V1047-I1054 PolarHBondContact N-O 3.36Å; V1047-I1054 PolarHBondContact O-N 3.27Å; V1047-L1056 HydrophobicContact CG2-CB 4.06Å; V1047-L1056 HydrophobicContact CG2-CD2 4.47Å
1048	G	94.7	Very high	85.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.7	177.4	0	0	0	0	0	112.2	Q1032 T1033	Q1032-G1048 PolarHBondContact N-O 3.49Å; T1033-G1048 PolarHBondContact N-O 3.09Å; T1033-G1048 PolarHBondContact O-N 2.89Å
1049	Y	93.5	Very high	85.4	Confident	20 Å²	20	29.6 Å²	29.6	8%	0.078	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144.6	169.5	64.2	-76.8	0	0	0	112	M1027 V1028 D1029 S1030 N1051 Q1052 I1054	M1027-Y1049 HydrophobicContact CE-CD1 3.81Å; M1027-Y1049 HydrophobicContact CE-CE1 3.68Å; V1028-Y1049 HydrophobicContact CB-CE2 4.44Å; D1029-Y1049 HydrophobicContact CB-CD2 3.92Å; D1029-Y1049 HydrophobicContact CB-CE2 4.46Å; S1030-Y1049 WeakPolarHBondContact O-CB 3.39Å; Y1049-N1051 PolarHBondContact O-N 3.43Å; Y1049-N1051 VanDerWaalsContact O-N 3.1Å; Y1049-Q1052 HydrophobicContact CE2-CG 4.49Å; Y1049-Q1052 PolarHBondContact N-O 2.87Å; Y1049-Q1052 VanDerWaalsContact N-O 3.1Å; Y1049-Q1052 WeakPolarHBondContact O-CG 3.3Å; Y1049-Q1052 PolarHBondContact O-N 3.49Å; Y1049-Q1052 VanDerWaalsContact O-O 3.07Å; Y1049-Q1052 PolarHBondContact OH-NE2 3.38Å; Y1049-I1054 HydrophobicContact CE1-CD1 3.98Å; Y1049-I1054 HydrophobicContact CE1-CG1 4.08Å; Y1049-I1054 HydrophobicContact CE1-CG2 3.93Å
1050	R	92.3	Very high	86.2	Confident	127 Å²	127	31.6 Å²	31.6	48%	0.479	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-109.9	-167.9	-56.6	178	-175.3	175.9	0.4	110.8	D1029 Q1075 V1076	D1029-R1050 IonicContact OD2-CZ 2.7Å; D1029-R1050 IonicContact OD2-NE 2.71Å; D1029-R1050 PolarHBondContact OD2-NE 3.42Å; D1029-R1050 IonicContact OD2-NH2 3.27Å; D1029-R1050 PolarHBondContact OD2-NH2 3.12Å; R1050-Q1075 CarbonylContact O-C 3.2Å; R1050-Q1075 VanDerWaalsContact O-CA 3.25Å; R1050-Q1075 WeakPolarHBondContact O-CA 3.19Å; R1050-Q1075 PolarHBondContact O-OE1 3.38Å; R1050-V1076 PolarHBondContact O-N 3.08Å
1051	N	92.2	Very high	86.8	Confident	13 Å²	13	35.8 Å²	35.8	7%	0.07	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	27.8	-172.9	85.6	-49	0	0	0	112	Y1049 T1069 G1071 N1074	Y1049-N1051 PolarHBondContact O-N 3.43Å; Y1049-N1051 VanDerWaalsContact O-N 3.1Å; N1051-T1069 WeakPolarHBondContact CB-OG1 3.3Å; N1051-T1069 PolarHBondContact ND2-O 2.88Å; N1051-T1069 PolarHBondContact ND2-OG1 2.75Å; N1051-T1069 PolarHBondContact O-N 3.41Å; N1051-T1069 PolarHBondContact O-OG1 2.89Å; N1051-G1071 PolarHBondContact ND2-O 3.16Å; N1051-N1074 WeakPolarHBondContact CB-O 3.17Å
1052	Q	94.1	Very high	87.9	Confident	24 Å²	24	37 Å²	37	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.8	-179.6	63.6	-173.3	30.4	0	0	113.3	Y1049 F1067 R1068 V1076	Y1049-Q1052 HydrophobicContact CE2-CG 4.49Å; Y1049-Q1052 PolarHBondContact N-O 2.87Å; Y1049-Q1052 VanDerWaalsContact N-O 3.1Å; Y1049-Q1052 WeakPolarHBondContact O-CG 3.3Å; Y1049-Q1052 PolarHBondContact O-N 3.49Å; Y1049-Q1052 VanDerWaalsContact O-O 3.07Å; Y1049-Q1052 PolarHBondContact OH-NE2 3.38Å; Q1052-F1067 CarbonylContact C-O 3Å; Q1052-F1067 WeakPolarHBondContact CA-O 3.43Å; Q1052-F1067 WeakPolarHBondContact CB-O 3.37Å; Q1052-R1068 HydrophobicContact CB-CB 3.79Å; Q1052-R1068 HydrophobicContact CB-CG 3.93Å; Q1052-R1068 VanDerWaalsContact OE1-CD 3.22Å; Q1052-V1076 WeakPolarHBondContact O-CG1 3.32Å
1053	F	94.5	Very high	89	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.7	167.6	-71.4	-83.9	0	0	0	110.4	T1033 L1066 F1067 V1076 S1078 A1079 L1092 F1094	T1033-F1053 HydrophobicContact CG2-CE1 3.61Å; T1033-F1053 HydrophobicContact CG2-CZ 4.18Å; F1053-L1066 HydrophobicContact CB-CB 4.35Å; F1053-L1066 HydrophobicContact CB-CD1 4.38Å; F1053-L1066 PolarHBondContact O-N 2.82Å; F1053-F1067 PolarHBondContact N-O 2.9Å; F1053-F1067 PolarHBondContact O-N 3.31Å; F1053-V1076 HydrophobicContact CD1-CG1 4.36Å; F1053-V1076 HydrophobicContact CD2-CG1 3.92Å; F1053-V1076 HydrophobicContact CE1-CB 4.15Å; F1053-V1076 HydrophobicContact CE1-CG1 4.12Å; F1053-V1076 HydrophobicContact CE2-CB 4.05Å; F1053-V1076 HydrophobicContact CE2-CG1 3.64Å; F1053-V1076 HydrophobicContact CG-CG1 4.27Å; F1053-V1076 HydrophobicContact CZ-CB 3.71Å; F1053-V1076 HydrophobicContact CZ-CG1 3.75Å; F1053-S1078 VanDerWaalsContact CZ-O 3.22Å; F1053-S1078 WeakPolarHBondContact CZ-O 3.44Å; F1053-A1079 HydrophobicContact CD1-CB 4.07Å; F1053-A1079 HydrophobicContact CE1-CB 3.74Å; F1053-A1079 HydrophobicContact CZ-CB 4.38Å; F1053-L1092 HydrophobicContact CB-CD1 4.31Å; F1053-L1092 HydrophobicContact CB-CD2 4.15Å; F1053-L1092 HydrophobicContact CD1-CD2 4.32Å; F1053-L1092 HydrophobicContact CD2-CB 3.81Å; F1053-L1092 HydrophobicContact CD2-CD1 4.29Å; F1053-L1092 HydrophobicContact CD2-CD2 3.93Å; F1053-L1092 HydrophobicContact CD2-CG 4.22Å; F1053-L1092 HydrophobicContact CE2-CB 3.93Å; F1053-L1092 HydrophobicContact CE2-CD2 4.4Å; F1053-L1092 HydrophobicContact CG-CD2 3.89Å; F1053-F1094 AromaticContact CD2-CE1 3.91Å; F1053-F1094 HydrophobicContact CD2-CE1 3.91Å; F1053-F1094 AromaticContact CD2-CE2 3.91Å; F1053-F1094 HydrophobicContact CD2-CE2 3.91Å; F1053-F1094 AromaticContact CD2-CZ 3.41Å; F1053-F1094 HydrophobicContact CD2-CZ 3.41Å; F1053-F1094 VanDerWaalsContact CD2-CZ 3.41Å; F1053-F1094 HydrophobicContact CE2-CD1 4.28Å; F1053-F1094 HydrophobicContact CE2-CD2 4.25Å; F1053-F1094 AromaticContact CE2-CE1 3.83Å; F1053-F1094 HydrophobicContact CE2-CE1 3.83Å; F1053-F1094 AromaticContact CE2-CE2 3.79Å; F1053-F1094 HydrophobicContact CE2-CE2 3.79Å; F1053-F1094 HydrophobicContact CE2-CG 4.48Å; F1053-F1094 AromaticContact CE2-CZ 3.57Å; F1053-F1094 HydrophobicContact CE2-CZ 3.57Å
1054	I	93.8	Very high	89.6	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.046	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.4	170.1	70.6	168	0	0	0	110.1	M1027 C1046 V1047 Y1049 T1063 T1064	M1027-I1054 HydrophobicContact CE-CD1 3.65Å; M1027-I1054 HydrophobicContact CE-CG1 4.39Å; M1027-I1054 HydrophobicContact SD-CD1 4.24Å; C1046-I1054 WeakPolarHBondContact CA-O 3.36Å; V1047-I1054 HydrophobicContact CB-CG1 3.91Å; V1047-I1054 HydrophobicContact CG2-CG1 4.47Å; V1047-I1054 PolarHBondContact N-O 3.36Å; V1047-I1054 PolarHBondContact O-N 3.27Å; Y1049-I1054 HydrophobicContact CE1-CD1 3.98Å; Y1049-I1054 HydrophobicContact CE1-CG1 4.08Å; Y1049-I1054 HydrophobicContact CE1-CG2 3.93Å; I1054-T1063 HydrophobicContact CD1-CG2 3.71Å; I1054-T1064 CarbonylContact C-O 3.47Å; I1054-T1064 VanDerWaalsContact CA-O 3.31Å; I1054-T1064 WeakPolarHBondContact CA-O 3.37Å; I1054-T1064 WeakPolarHBondContact CB-O 3.39Å
1055	L	91.4	Very high	89.7	Confident	13 Å²	13	47 Å²	47	7%	0.068	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.7	167.9	-166.3	65.1	0	0	0	108.2	V1037 K1044 T1063 T1064 L1066	V1037-L1055 HydrophobicContact CB-CD1 4.44Å; V1037-L1055 HydrophobicContact CG2-CD1 3.91Å; K1044-L1055 HydrophobicContact CB-CD1 3.85Å; K1044-L1055 HydrophobicContact CB-CG 4.19Å; K1044-L1055 HydrophobicContact CD-CD1 4.44Å; K1044-L1055 HydrophobicContact CD-CD2 3.73Å; K1044-L1055 HydrophobicContact CD-CG 4.04Å; L1055-T1063 WeakPolarHBondContact O-CA 3.26Å; L1055-T1064 PolarHBondContact N-O 2.96Å; L1055-T1064 PolarHBondContact O-N 2.93Å; L1055-L1066 HydrophobicContact CB-CD1 3.96Å; L1055-L1066 HydrophobicContact CB-CD2 3.98Å; L1055-L1066 HydrophobicContact CB-CG 3.88Å; L1055-L1066 HydrophobicContact CD2-CD2 4.46Å
1056	L	91.3	Very high	89.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.9	173.2	168.9	60.4	0	0	0	108.9	I991 V1025 K1044 L1045 V1047 T1063	I991-L1056 HydrophobicContact CD1-CD2 3.83Å; V1025-L1056 HydrophobicContact CB-CD2 4.15Å; V1025-L1056 HydrophobicContact CG1-CD1 3.85Å; V1025-L1056 HydrophobicContact CG1-CD2 3.95Å; V1025-L1056 HydrophobicContact CG2-CD1 4.34Å; V1025-L1056 HydrophobicContact CG2-CD2 4.1Å; K1044-L1056 CarbonylContact C-O 3.48Å; K1044-L1056 VanDerWaalsContact CA-O 3.31Å; K1044-L1056 WeakPolarHBondContact CA-O 3.39Å; L1045-L1056 PolarHBondContact N-O 3.47Å; L1045-L1056 PolarHBondContact O-N 3.3Å; V1047-L1056 HydrophobicContact CG2-CB 4.06Å; V1047-L1056 HydrophobicContact CG2-CD2 4.47Å; L1056-T1063 HydrophobicContact CD1-CG2 4.02Å
1057	D	87.4	Confident	89.3	Confident	31 Å²	31	50.2 Å²	50.2	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.6	168.8	-170.2	-78.6	0	0	0	110.1	K1044 R1059 S1060 K1061 E1062	K1044-D1057 VanDerWaalsContact CE-OD2 3.22Å; K1044-D1057 WeakPolarHBondContact CE-OD2 3.42Å; K1044-D1057 IonicContact NZ-OD2 3.15Å; D1057-R1059 VanDerWaalsContact C-N 3.31Å; D1057-R1059 PolarHBondContact O-N 2.78Å; D1057-R1059 WeakPolarHBondContact OD1-CA 3.4Å; D1057-R1059 WeakPolarHBondContact OD1-CB 3.41Å; D1057-R1059 PolarHBondContact OD1-N 3.24Å; D1057-S1060 PolarHBondContact OD1-N 3.36Å; D1057-K1061 VanDerWaalsContact O-CA 3.27Å; D1057-K1061 WeakPolarHBondContact O-CA 3.31Å; D1057-K1061 PolarHBondContact O-N 2.77Å; D1057-E1062 PolarHBondContact N-O 3.49Å
1058	E	82.1	Confident	89.1	Confident	9 Å²	9	57 Å²	57	4%	0.042	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-38.6	179.7	-175.1	-175.7	122.9	0	0	111.2	R982 I993 R1023 G1043	R982-E1058 IonicContact CZ-OE1 2.8Å; R982-E1058 IonicContact CZ-OE2 3.71Å; R982-E1058 VanDerWaalsContact NH1-CD 3.29Å; R982-E1058 IonicContact NH1-OE1 3.84Å; R982-E1058 PolarHBondContact NH1-OE1 3.39Å; R982-E1058 IonicContact NH1-OE2 2.72Å; R982-E1058 PolarHBondContact NH1-OE2 2.91Å; R982-E1058 IonicContact NH2-OE1 2.82Å; R982-E1058 PolarHBondContact NH2-OE1 2.93Å; R982-E1058 IonicContact NH2-OE2 3.7Å; I993-E1058 HydrophobicContact CD1-CG 4.01Å; R1023-E1058 WeakPolarHBondContact CD-O 3.25Å; R1023-E1058 PolarHBondContact NE-O 2.89Å; R1023-E1058 PolarHBondContact NH1-O 3.48Å; G1043-E1058 WeakPolarHBondContact O-CB 3.11Å; G1043-E1058 PolarHBondContact O-N 2.88Å
1059	R	80.3	Confident	88.7	Confident	175 Å²	175	57.5 Å²	57.5	66%	0.66	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-44.7	-169.3	-58	-176.9	-178.9	-170.2	0.1	112.5	R1023 G1042 D1057	R1023-R1059 VanDerWaalsContact NH1-C 3.32Å; R1023-R1059 PolarHBondContact NH1-O 2.96Å; R1023-R1059 PolarHBondContact NH2-O 3.45Å; G1042-R1059 PolarHBondContact O-NE 3.49Å; G1042-R1059 PolarHBondContact O-NH2 2.97Å; D1057-R1059 VanDerWaalsContact C-N 3.31Å; D1057-R1059 PolarHBondContact O-N 2.78Å; D1057-R1059 WeakPolarHBondContact OD1-CA 3.4Å; D1057-R1059 WeakPolarHBondContact OD1-CB 3.41Å; D1057-R1059 PolarHBondContact OD1-N 3.24Å
1060	S	82.7	Confident	87.9	Confident	54 Å²	54	66.3 Å²	66.3	38%	0.378	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-21.3	179.4	67.9	0	0	0	0	114	D1057 E1062	D1057-S1060 PolarHBondContact OD1-N 3.36Å; S1060-E1062 WeakPolarHBondContact CB-OE2 3.45Å; S1060-E1062 PolarHBondContact O-N 2.86Å; S1060-E1062 VanDerWaalsContact OG-CB 3.3Å; S1060-E1062 WeakPolarHBondContact OG-CB 3.07Å; S1060-E1062 VanDerWaalsContact OG-CD 3.29Å; S1060-E1062 VanDerWaalsContact OG-CG 3.28Å; S1060-E1062 WeakPolarHBondContact OG-CG 3.42Å; S1060-E1062 PolarHBondContact OG-N 3.2Å; S1060-E1062 VanDerWaalsContact OG-N 3.16Å; S1060-E1062 PolarHBondContact OG-OE2 3.08Å
1061	K	82.7	Confident	86.9	Confident	101 Å²	101	60.4 Å²	60.4	44%	0.439	29%	0.288	S	S	.	.			trans	67.1	10	-165.5	-44	-170.9	-177.8	-164.5	0	114.4	R1023 E1024 V1025 D1057	R1023-K1061 VanDerWaalsContact NH1-CG 3.28Å; E1024-K1061 PolarHBondContact O-NZ 3.1Å; V1025-K1061 HydrophobicContact CG2-CD 4.33Å; V1025-K1061 HydrophobicContact CG2-CG 4.31Å; D1057-K1061 VanDerWaalsContact O-CA 3.27Å; D1057-K1061 WeakPolarHBondContact O-CA 3.31Å; D1057-K1061 PolarHBondContact O-N 2.77Å
1062	E	85.6	Confident	86.1	Confident	134 Å²	134	63.7 Å²	63.7	63%	0.626	31%	0.312	S	S	*	.			trans	-72	148.1	177.3	-66	162.3	139.2	0	0	110.6	D1057 S1060	D1057-E1062 PolarHBondContact N-O 3.49Å; S1060-E1062 WeakPolarHBondContact CB-OE2 3.45Å; S1060-E1062 PolarHBondContact O-N 2.86Å; S1060-E1062 VanDerWaalsContact OG-CB 3.3Å; S1060-E1062 WeakPolarHBondContact OG-CB 3.07Å; S1060-E1062 VanDerWaalsContact OG-CD 3.29Å; S1060-E1062 VanDerWaalsContact OG-CG 3.28Å; S1060-E1062 WeakPolarHBondContact OG-CG 3.42Å; S1060-E1062 PolarHBondContact OG-N 3.2Å; S1060-E1062 VanDerWaalsContact OG-N 3.16Å; S1060-E1062 PolarHBondContact OG-OE2 3.08Å
1063	T	87.9	Confident	85.4	Confident	82 Å²	82	67.7 Å²	67.7	50%	0.503	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.9	-177.8	52.9	0	0	0	0	110.5	I1054 L1055 L1056	I1054-T1063 HydrophobicContact CD1-CG2 3.71Å; L1055-T1063 WeakPolarHBondContact O-CA 3.26Å; L1056-T1063 HydrophobicContact CD1-CG2 4.02Å
1064	T	88.2	Confident	85.1	Confident	79 Å²	79	67.9 Å²	67.9	49%	0.485	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.9	173.1	-51	0	0	0	0	109.1	I1054 L1055 L1066	I1054-T1064 CarbonylContact C-O 3.47Å; I1054-T1064 VanDerWaalsContact CA-O 3.31Å; I1054-T1064 WeakPolarHBondContact CA-O 3.37Å; I1054-T1064 WeakPolarHBondContact CB-O 3.39Å; L1055-T1064 PolarHBondContact N-O 2.96Å; L1055-T1064 PolarHBondContact O-N 2.93Å; T1064-L1066 PolarHBondContact O-N 2.88Å
1065	Q	89.2	Confident	85	Confident	114 Å²	114	70.2 Å²	70.2	53%	0.533	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.7	171.1	-169.2	-173.8	-81.3	0	0	108.9
1066	L	87.5	Confident	85.2	Confident	26 Å²	26	70.1 Å²	70.1	14%	0.136	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-67.6	175.4	-70.6	170.2	0	0	0	109.7	F1053 L1055 T1064 L1090 L1092 Q1101 L1103	F1053-L1066 HydrophobicContact CB-CB 4.35Å; F1053-L1066 HydrophobicContact CB-CD1 4.38Å; F1053-L1066 PolarHBondContact O-N 2.82Å; L1055-L1066 HydrophobicContact CB-CD1 3.96Å; L1055-L1066 HydrophobicContact CB-CD2 3.98Å; L1055-L1066 HydrophobicContact CB-CG 3.88Å; L1055-L1066 HydrophobicContact CD2-CD2 4.46Å; T1064-L1066 PolarHBondContact O-N 2.88Å; L1066-L1090 HydrophobicContact CD1-CD1 3.69Å; L1066-L1092 HydrophobicContact CB-CD1 4.17Å; L1066-Q1101 HydrophobicContact CD2-CG 4.3Å; L1066-L1103 HydrophobicContact CD2-CD2 3.58Å
1067	F	89.6	Confident	85.3	Confident	43 Å²	43	71.2 Å²	71.2	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.7	-174.6	-166.2	-88.1	0	0	0	110.8	Q1052 F1053 T1069 L1092 F1094 H1099	Q1052-F1067 CarbonylContact C-O 3Å; Q1052-F1067 WeakPolarHBondContact CA-O 3.43Å; Q1052-F1067 WeakPolarHBondContact CB-O 3.37Å; F1053-F1067 PolarHBondContact N-O 2.9Å; F1053-F1067 PolarHBondContact O-N 3.31Å; F1067-T1069 HydrophobicContact CD1-CG2 4.42Å; F1067-T1069 HydrophobicContact CE1-CG2 3.95Å; F1067-L1092 HydrophobicContact CB-CD1 3.49Å; F1067-L1092 VanDerWaalsContact CB-CD1 3.49Å; F1067-L1092 HydrophobicContact CG-CD1 4.4Å; F1067-F1094 AromaticContact CD1-CE2 3.75Å; F1067-F1094 HydrophobicContact CD1-CE2 3.75Å; F1067-F1094 AromaticContact CD1-CZ 3.72Å; F1067-F1094 HydrophobicContact CD1-CZ 3.72Å; F1067-F1094 HydrophobicContact CE1-CE2 4.19Å; F1067-F1094 HydrophobicContact CE1-CZ 4.41Å; F1067-H1099 HydrophobicContact CE1-CB 4.4Å; F1067-H1099 AromaticContact CE1-CD2 3.38Å; F1067-H1099 WeakPolarHBondContact CE1-CD2 3.35Å; F1067-H1099 AromaticContact CE1-CG 3.73Å; F1067-H1099 AromaticContact CE1-NE2 3.62Å; F1067-H1099 HydrophobicContact CE2-CB 4.28Å; F1067-H1099 HydrophobicContact CZ-CB 4.22Å; F1067-H1099 AromaticContact CZ-CD2 3.63Å; F1067-H1099 AromaticContact CZ-CE1 3.65Å; F1067-H1099 AromaticContact CZ-CG 3.54Å; F1067-H1099 AromaticContact CZ-ND1 3.55Å; F1067-H1099 AromaticContact CZ-NE2 3.71Å
1068	R	90.5	Very high	85.6	Confident	143 Å²	143	70.8 Å²	70.8	54%	0.54	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.5	175.6	177.3	174	-167.3	-171.2	-6.1	109.7	Q1052	Q1052-R1068 HydrophobicContact CB-CB 3.79Å; Q1052-R1068 HydrophobicContact CB-CG 3.93Å; Q1052-R1068 VanDerWaalsContact OE1-CD 3.22Å
1069	T	86.4	Confident	86.1	Confident	11 Å²	11	70.7 Å²	70.7	7%	0.067	34%	0.344	C	S	.	.			trans	-76.6	152.5	175.8	59.1	0	0	0	0	110.9	N1051 F1067 G1071 N1074 F1094	N1051-T1069 WeakPolarHBondContact CB-OG1 3.3Å; N1051-T1069 PolarHBondContact ND2-O 2.88Å; N1051-T1069 PolarHBondContact ND2-OG1 2.75Å; N1051-T1069 PolarHBondContact O-N 3.41Å; N1051-T1069 PolarHBondContact O-OG1 2.89Å; F1067-T1069 HydrophobicContact CD1-CG2 4.42Å; F1067-T1069 HydrophobicContact CE1-CG2 3.95Å; T1069-G1071 PolarHBondContact OG1-O 2.89Å; T1069-N1074 HydrophobicContact CG2-CB 4.1Å; T1069-N1074 PolarHBondContact OG1-O 3.39Å; T1069-F1094 HydrophobicContact CG2-CD1 3.79Å; T1069-F1094 HydrophobicContact CG2-CD2 4.09Å; T1069-F1094 HydrophobicContact CG2-CE1 3.77Å; T1069-F1094 HydrophobicContact CG2-CE2 4.07Å; T1069-F1094 HydrophobicContact CG2-CG 3.95Å; T1069-F1094 HydrophobicContact CG2-CZ 3.9Å
1070	E	77.5	Confident	86.5	Confident	204 Å²	204	64.4 Å²	64.4	95%	0.953	32%	0.324	S	S	*	.	S	Bend	trans	-70.4	-42.1	172.8	-62.3	-171.8	165.3	0	0	111.4	S1072	E1070-S1072 PolarHBondContact O-N 3.4Å
1071	G	70.7	Confident	86.7	Confident	3 Å²	3	63.8 Å²	63.8	3%	0.031	32%	0.315	C	S	.	.			trans	-76.5	114.7	-178.4	0	0	0	0	0	112.6	N1051 T1069 R1073 N1074	N1051-G1071 PolarHBondContact ND2-O 3.16Å; T1069-G1071 PolarHBondContact OG1-O 2.89Å; G1071-R1073 PolarHBondContact O-N 3.15Å; G1071-N1074 WeakPolarHBondContact O-CB 3.39Å; G1071-N1074 PolarHBondContact O-N 2.74Å
1072	S	75.7	Confident	86.4	Confident	83 Å²	83	60.2 Å²	60.2	58%	0.58	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.5	177.8	60.3	0	0	0	0	114.3	E1070 Q1075	E1070-S1072 PolarHBondContact O-N 3.4Å; S1072-Q1075 PolarHBondContact O-NE2 3.19Å
1073	R	79	Confident	85.6	Confident	108 Å²	108	61.8 Å²	61.8	41%	0.408	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.9	172.9	-71.3	-178.6	174.3	-152.9	-5.1	113.9	G1071 Q1075 T1095	G1071-R1073 PolarHBondContact O-N 3.15Å; R1073-Q1075 VanDerWaalsContact C-N 3.28Å; R1073-Q1075 PolarHBondContact O-N 2.58Å; R1073-T1095 PolarHBondContact O-OG1 2.82Å
1074	N	87.3	Confident	84.2	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	30%	0.298	C	S	.	.			trans	-81.9	78.1	-178.5	-158.3	9.6	0	0	0	109.6	N1051 T1069 G1071 F1094 T1095 R1096 T1097	N1051-N1074 WeakPolarHBondContact CB-O 3.17Å; T1069-N1074 HydrophobicContact CG2-CB 4.1Å; T1069-N1074 PolarHBondContact OG1-O 3.39Å; G1071-N1074 WeakPolarHBondContact O-CB 3.39Å; G1071-N1074 PolarHBondContact O-N 2.74Å; N1074-F1094 WeakPolarHBondContact O-CD1 3.18Å; N1074-F1094 WeakPolarHBondContact OD1-CB 3.33Å; N1074-T1095 WeakPolarHBondContact CA-OG1 3.34Å; N1074-T1095 PolarHBondContact OD1-N 2.84Å; N1074-T1095 PolarHBondContact OD1-OG1 2.9Å; N1074-R1096 VanDerWaalsContact N-NH2 3.12Å; N1074-R1096 PolarHBondContact OD1-N 3.33Å; N1074-T1097 PolarHBondContact ND2-OG1 2.93Å
1075	Q	92.3	Very high	82.7	Confident	59 Å²	59	64.3 Å²	64.3	28%	0.276	32%	0.315	S	S	.	.			trans	-73.3	153.1	-174.6	-65.2	-72.6	-67.9	0	0	111.4	Q1032 R1050 S1072 R1073 F1094 T1095	Q1032-Q1075 VanDerWaalsContact NE2-OE1 3.13Å; R1050-Q1075 CarbonylContact O-C 3.2Å; R1050-Q1075 VanDerWaalsContact O-CA 3.25Å; R1050-Q1075 WeakPolarHBondContact O-CA 3.19Å; R1050-Q1075 PolarHBondContact O-OE1 3.38Å; S1072-Q1075 PolarHBondContact O-NE2 3.19Å; R1073-Q1075 VanDerWaalsContact C-N 3.28Å; R1073-Q1075 PolarHBondContact O-N 2.58Å; Q1075-F1094 CarbonylContact O-C 3.58Å; Q1075-F1094 WeakPolarHBondContact O-CA 3.42Å; Q1075-F1094 VanDerWaalsContact O-CB 3.31Å; Q1075-F1094 WeakPolarHBondContact O-CB 3.29Å; Q1075-T1095 HydrophobicContact CB-CG2 3.96Å; Q1075-T1095 PolarHBondContact N-OG1 3.34Å; Q1075-T1095 PolarHBondContact O-N 3.44Å
1076	V	94.9	Very high	81	Confident	11 Å²	11	64.7 Å²	64.7	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	145.9	172.3	-64.7	0	0	0	0	111.5	Q1032 T1033 R1050 Q1052 F1053 F1094	Q1032-V1076 HydrophobicContact CB-CG2 3.81Å; T1033-V1076 HydrophobicContact CG2-CB 4.11Å; T1033-V1076 HydrophobicContact CG2-CG2 4.02Å; R1050-V1076 PolarHBondContact O-N 3.08Å; Q1052-V1076 WeakPolarHBondContact O-CG1 3.32Å; F1053-V1076 HydrophobicContact CD1-CG1 4.36Å; F1053-V1076 HydrophobicContact CD2-CG1 3.92Å; F1053-V1076 HydrophobicContact CE1-CB 4.15Å; F1053-V1076 HydrophobicContact CE1-CG1 4.12Å; F1053-V1076 HydrophobicContact CE2-CB 4.05Å; F1053-V1076 HydrophobicContact CE2-CG1 3.64Å; F1053-V1076 HydrophobicContact CG-CG1 4.27Å; F1053-V1076 HydrophobicContact CZ-CB 3.71Å; F1053-V1076 HydrophobicContact CZ-CG1 3.75Å; V1076-F1094 HydrophobicContact CG1-CD1 4.03Å; V1076-F1094 HydrophobicContact CG1-CE1 3.7Å
1077	V	94.4	Very high	79.9	Confident	23 Å²	23	68.4 Å²	68.4	14%	0.139	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-58.3	175.9	178.3	0	0	0	0	110.2	T1033 C1093 T1095 P1203 V1206	T1033-V1077 PolarHBondContact OG1-O 3.2Å; V1077-C1093 HydrophobicContact CB-CB 4.49Å; V1077-C1093 PolarHBondContact N-O 2.9Å; V1077-T1095 HydrophobicContact CG2-CG2 3.79Å; V1077-P1203 WeakPolarHBondContact CG2-O 3.39Å; V1077-V1206 HydrophobicContact CG1-CG2 4.01Å
1078	S	94.2	Very high	78.9	Confident	22 Å²	22	67.8 Å²	67.8	15%	0.154	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152	-177.2	-167.7	0	0	0	0	111.6	F1053 C1093	F1053-S1078 VanDerWaalsContact CZ-O 3.22Å; F1053-S1078 WeakPolarHBondContact CZ-O 3.44Å; S1078-C1093 PolarHBondContact N-O 3.08Å; S1078-C1093 WeakPolarHBondContact O-CA 3.39Å; S1078-C1093 VanDerWaalsContact O-CB 3.27Å; S1078-C1093 WeakPolarHBondContact O-CB 3.46Å; S1078-C1093 PolarHBondContact O-N 2.87Å
1079	A	92.9	Very high	78.3	Confident	6 Å²	6	62.2 Å²	62.2	5%	0.05	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.1	163.7	0	0	0	0	0	107.6	C1046 F1053 L1091 L1092	C1046-A1079 HydrophobicContact CB-CB 3.92Å; C1046-A1079 WeakPolarHBondContact SG-CB 3.37Å; F1053-A1079 HydrophobicContact CD1-CB 4.07Å; F1053-A1079 HydrophobicContact CE1-CB 3.74Å; F1053-A1079 HydrophobicContact CZ-CB 4.38Å; A1079-L1091 WeakPolarHBondContact CA-O 3.37Å; A1079-L1092 HydrophobicContact CB-CD2 4.02Å
1080	L	88.6	Confident	78.4	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.23	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.4	-179.5	-60	175.4	0	0	0	109.1	L1091 V1206 V1208	L1080-L1091 HydrophobicContact CB-CB 4.37Å; L1080-L1091 PolarHBondContact N-O 3.42Å; L1080-L1091 PolarHBondContact O-N 2.9Å; L1080-V1206 HydrophobicContact CD1-CG1 4.21Å; L1080-V1208 HydrophobicContact CD1-CB 4.25Å; L1080-V1208 HydrophobicContact CD1-CG2 3.6Å
1081	E	85.4	Confident	79	Confident	40 Å²	40	52.1 Å²	52.1	19%	0.187	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129	176.4	-171.7	168.4	-145.9	0	0	109.9	V1037 E1038 G1039 L1090	V1037-E1081 VanDerWaalsContact CG1-OE1 3.23Å; V1037-E1081 WeakPolarHBondContact CG1-OE1 3.16Å; E1038-E1081 VanDerWaalsContact N-CD 3.33Å; E1038-E1081 PolarHBondContact N-OE1 2.79Å; E1038-E1081 PolarHBondContact N-OE2 2.73Å; G1039-E1081 PolarHBondContact N-OE1 3.47Å; E1081-L1090 HydrophobicContact CB-CD2 4.1Å; E1081-L1090 HydrophobicContact CG-CD2 4.35Å
1082	L	77.9	Confident	80.1	Confident	27 Å²	27	52 Å²	52	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.4	179.3	-60.7	180	0	0	0	109.8	E1089 L1091 F1100 V1208 L1226	L1082-E1089 HydrophobicContact CB-CB 4.38Å; L1082-E1089 PolarHBondContact N-O 3.34Å; L1082-E1089 PolarHBondContact O-N 2.82Å; L1082-L1091 HydrophobicContact CD1-CB 3.86Å; L1082-L1091 HydrophobicContact CD1-CD1 4.35Å; L1082-L1091 HydrophobicContact CD1-CG 4.48Å; L1082-L1091 HydrophobicContact CG-CB 4.22Å; L1082-F1100 HydrophobicContact CD1-CD1 4.32Å; L1082-F1100 HydrophobicContact CD1-CE1 3.7Å; L1082-V1208 HydrophobicContact CD2-CG1 4.25Å; L1082-L1226 HydrophobicContact CD1-CD1 4.15Å; L1082-L1226 HydrophobicContact CD1-CD2 3.93Å; L1082-L1226 HydrophobicContact CD1-CG 4.37Å; L1082-L1226 HydrophobicContact CD2-CD2 3.92Å
1083	W	68.6	Low	81	Confident	167 Å²	167	48 Å²	48	63%	0.633	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.8	-176	-62.3	72.1	0	0	0	107.9	G1039 H1088	G1039-W1083 VanDerWaalsContact CA-CH2 3.49Å; W1083-H1088 AromaticContact CE3-ND1 3.99Å; W1083-H1088 AromaticContact CH2-CE1 3.96Å; W1083-H1088 AromaticContact CZ3-CE1 3.57Å; W1083-H1088 AromaticContact CZ3-ND1 3.94Å
1084	A	58	Low	81.7	Confident	53 Å²	53	42.9 Å²	42.9	44%	0.438	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	131.6	173.6	0	0	0	0	0	108.2	D1086 E1087	A1084-D1086 VanDerWaalsContact C-N 3.28Å; A1084-D1086 PolarHBondContact O-N 3.17Å; A1084-D1086 VanDerWaalsContact O-N 3.13Å; A1084-E1087 PolarHBondContact O-N 2.97Å
1085	D	55.6	Low	81.9	Confident	160 Å²	160	43.9 Å²	43.9	86%	0.856	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	43.7	169.1	-46.4	-25.2	0	0	0	114.5	E1087	D1085-E1087 PolarHBondContact O-N 3.16Å
1086	D	55.3	Low	81.7	Confident	123 Å²	123	41.5 Å²	41.5	66%	0.658	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	5.7	-173.8	-62.6	-24.8	0	0	0	116.1	Y456 A1084	Y456-D1086 PolarHBondContact OH-OD1 3.39Å; Y456-D1086 PolarHBondContact OH-OD2 3.07Å; A1084-D1086 VanDerWaalsContact C-N 3.28Å; A1084-D1086 PolarHBondContact O-N 3.17Å; A1084-D1086 VanDerWaalsContact O-N 3.13Å
1087	E	63.2	Low	81.5	Confident	103 Å²	103	42.3 Å²	42.3	48%	0.481	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	142.4	169.9	-66.2	-159.4	156.7	0	0	112.5	A1084 D1085 K1102	A1084-E1087 PolarHBondContact O-N 2.97Å; D1085-E1087 PolarHBondContact O-N 3.16Å; E1087-K1102 WeakPolarHBondContact OE2-CE 3.12Å; E1087-K1102 IonicContact OE2-NZ 2.82Å; E1087-K1102 PolarHBondContact OE2-NZ 3.09Å
1088	H	68.3	Low	81.4	Confident	31 Å²	31	41.2 Å²	41.2	14%	0.144	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.8	175.2	-54.7	-50.7	0	0	0	110.7	G1039 W1083 L1103	G1039-H1088 VanDerWaalsContact CA-CE1 3.47Å; G1039-H1088 WeakPolarHBondContact CA-CE1 3.4Å; G1039-H1088 PolarHBondContact O-NE2 3.49Å; W1083-H1088 AromaticContact CE3-ND1 3.99Å; W1083-H1088 AromaticContact CH2-CE1 3.96Å; W1083-H1088 AromaticContact CZ3-CE1 3.57Å; W1083-H1088 AromaticContact CZ3-ND1 3.94Å; H1088-L1103 PolarHBondContact O-N 3.21Å
1089	E	78.6	Confident	81.2	Confident	26 Å²	26	41.4 Å²	41.4	12%	0.121	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.6	174.4	-59.4	-159.8	154	0	0	111.2	L1082 F1100 K1102	L1082-E1089 HydrophobicContact CB-CB 4.38Å; L1082-E1089 PolarHBondContact N-O 3.34Å; L1082-E1089 PolarHBondContact O-N 2.82Å; E1089-F1100 WeakPolarHBondContact OE2-CD1 3.37Å; E1089-K1102 HydrophobicContact CG-CG 3.98Å; E1089-K1102 VanDerWaalsContact OE1-CE 3.3Å; E1089-K1102 WeakPolarHBondContact OE1-CE 3.5Å; E1089-K1102 WeakPolarHBondContact OE1-CG 3.41Å; E1089-K1102 IonicContact OE1-NZ 3.19Å; E1089-K1102 PolarHBondContact OE1-NZ 3.18Å
1090	L	87.5	Confident	80.9	Confident	3 Å²	3	42 Å²	42	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.4	165.9	-67.7	-177.7	0	0	0	110.2	V1037 C1046 L1066 E1081 L1092 Q1101 L1103	V1037-L1090 HydrophobicContact CG1-CD2 4.23Å; V1037-L1090 HydrophobicContact CG2-CD1 4.18Å; V1037-L1090 HydrophobicContact CG2-CD2 4.02Å; C1046-L1090 HydrophobicContact CB-CD1 4.23Å; L1066-L1090 HydrophobicContact CD1-CD1 3.69Å; E1081-L1090 HydrophobicContact CB-CD2 4.1Å; E1081-L1090 HydrophobicContact CG-CD2 4.35Å; L1090-L1092 HydrophobicContact CB-CD2 3.86Å; L1090-L1092 HydrophobicContact CB-CG 4.32Å; L1090-L1092 HydrophobicContact CD1-CD2 4.42Å; L1090-Q1101 PolarHBondContact N-O 3.02Å; L1090-Q1101 PolarHBondContact O-N 2.82Å; L1090-L1103 HydrophobicContact CD1-CD1 3.81Å; L1090-L1103 HydrophobicContact CD1-CD2 4.21Å; L1090-L1103 HydrophobicContact CD1-CG 4.34Å; L1090-L1103 HydrophobicContact CG-CD1 3.76Å; L1090-L1103 HydrophobicContact CG-CD2 4.45Å; L1090-L1103 HydrophobicContact CG-CG 4.15Å
1091	L	90.3	Very high	80.6	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	106.5	168.1	-168.4	75.3	0	0	0	109.8	A1079 L1080 L1082 C1093 C1098 F1100 V1208 I1213 L1226	A1079-L1091 WeakPolarHBondContact CA-O 3.37Å; L1080-L1091 HydrophobicContact CB-CB 4.37Å; L1080-L1091 PolarHBondContact N-O 3.42Å; L1080-L1091 PolarHBondContact O-N 2.9Å; L1082-L1091 HydrophobicContact CD1-CB 3.86Å; L1082-L1091 HydrophobicContact CD1-CD1 4.35Å; L1082-L1091 HydrophobicContact CD1-CG 4.48Å; L1082-L1091 HydrophobicContact CG-CB 4.22Å; L1091-C1093 PolarHBondContact O-N 2.93Å; L1091-C1098 VanDerWaalsContact CD1-SG 3.59Å; L1091-C1098 VanDerWaalsContact CG-SG 3.54Å; L1091-F1100 HydrophobicContact CD1-CD1 3.88Å; L1091-F1100 HydrophobicContact CD1-CD2 3.77Å; L1091-F1100 HydrophobicContact CD1-CE1 3.65Å; L1091-F1100 HydrophobicContact CD1-CE2 3.51Å; L1091-F1100 HydrophobicContact CD1-CG 3.96Å; L1091-F1100 HydrophobicContact CD1-CZ 3.45Å; L1091-F1100 VanDerWaalsContact CD1-CZ 3.45Å; L1091-V1208 HydrophobicContact CD2-CG2 4.19Å; L1091-I1213 HydrophobicContact CD2-CD1 3.36Å; L1091-L1226 HydrophobicContact CD1-CD1 4.15Å; L1091-L1226 HydrophobicContact CD2-CD1 3.66Å
1092	L	93.5	Very high	80.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	98.4	-174.7	-57.2	-176.9	0	0	0	109.5	F1053 L1066 F1067 A1079 L1090 F1094 H1099 Q1101	F1053-L1092 HydrophobicContact CB-CD1 4.31Å; F1053-L1092 HydrophobicContact CB-CD2 4.15Å; F1053-L1092 HydrophobicContact CD1-CD2 4.32Å; F1053-L1092 HydrophobicContact CD2-CB 3.81Å; F1053-L1092 HydrophobicContact CD2-CD1 4.29Å; F1053-L1092 HydrophobicContact CD2-CD2 3.93Å; F1053-L1092 HydrophobicContact CD2-CG 4.22Å; F1053-L1092 HydrophobicContact CE2-CB 3.93Å; F1053-L1092 HydrophobicContact CE2-CD2 4.4Å; F1053-L1092 HydrophobicContact CG-CD2 3.89Å; L1066-L1092 HydrophobicContact CB-CD1 4.17Å; F1067-L1092 HydrophobicContact CB-CD1 3.49Å; F1067-L1092 VanDerWaalsContact CB-CD1 3.49Å; F1067-L1092 HydrophobicContact CG-CD1 4.4Å; A1079-L1092 HydrophobicContact CB-CD2 4.02Å; L1090-L1092 HydrophobicContact CB-CD2 3.86Å; L1090-L1092 HydrophobicContact CB-CG 4.32Å; L1090-L1092 HydrophobicContact CD1-CD2 4.42Å; L1092-F1094 HydrophobicContact CB-CE2 4.03Å; L1092-F1094 WeakPolarHBondContact O-CD2 3.19Å; L1092-H1099 PolarHBondContact N-O 3.14Å; L1092-H1099 PolarHBondContact O-N 3.27Å; L1092-Q1101 HydrophobicContact CD1-CB 3.8Å; L1092-Q1101 HydrophobicContact CD1-CG 4.27Å; L1092-Q1101 HydrophobicContact CG-CB 4.24Å
1093	C	94.8	Very high	79.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.6	-176	-56.1	0	0	0	0	110.9	V1077 S1078 L1091 V1206	V1077-C1093 HydrophobicContact CB-CB 4.49Å; V1077-C1093 PolarHBondContact N-O 2.9Å; S1078-C1093 PolarHBondContact N-O 3.08Å; S1078-C1093 WeakPolarHBondContact O-CA 3.39Å; S1078-C1093 VanDerWaalsContact O-CB 3.27Å; S1078-C1093 WeakPolarHBondContact O-CB 3.46Å; S1078-C1093 PolarHBondContact O-N 2.87Å; L1091-C1093 PolarHBondContact O-N 2.93Å; C1093-V1206 HydrophobicContact CB-CG2 4.14Å
1094	F	94.3	Very high	79.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	167.7	172.7	-58.6	-98.4	0	0	0	110.7	F1053 F1067 T1069 N1074 Q1075 V1076 L1092 R1096 T1097 H1099	F1053-F1094 AromaticContact CD2-CE1 3.91Å; F1053-F1094 HydrophobicContact CD2-CE1 3.91Å; F1053-F1094 AromaticContact CD2-CE2 3.91Å; F1053-F1094 HydrophobicContact CD2-CE2 3.91Å; F1053-F1094 AromaticContact CD2-CZ 3.41Å; F1053-F1094 HydrophobicContact CD2-CZ 3.41Å; F1053-F1094 VanDerWaalsContact CD2-CZ 3.41Å; F1053-F1094 HydrophobicContact CE2-CD1 4.28Å; F1053-F1094 HydrophobicContact CE2-CD2 4.25Å; F1053-F1094 AromaticContact CE2-CE1 3.83Å; F1053-F1094 HydrophobicContact CE2-CE1 3.83Å; F1053-F1094 AromaticContact CE2-CE2 3.79Å; F1053-F1094 HydrophobicContact CE2-CE2 3.79Å; F1053-F1094 HydrophobicContact CE2-CG 4.48Å; F1053-F1094 AromaticContact CE2-CZ 3.57Å; F1053-F1094 HydrophobicContact CE2-CZ 3.57Å; F1067-F1094 AromaticContact CD1-CE2 3.75Å; F1067-F1094 HydrophobicContact CD1-CE2 3.75Å; F1067-F1094 AromaticContact CD1-CZ 3.72Å; F1067-F1094 HydrophobicContact CD1-CZ 3.72Å; F1067-F1094 HydrophobicContact CE1-CE2 4.19Å; F1067-F1094 HydrophobicContact CE1-CZ 4.41Å; T1069-F1094 HydrophobicContact CG2-CD1 3.79Å; T1069-F1094 HydrophobicContact CG2-CD2 4.09Å; T1069-F1094 HydrophobicContact CG2-CE1 3.77Å; T1069-F1094 HydrophobicContact CG2-CE2 4.07Å; T1069-F1094 HydrophobicContact CG2-CG 3.95Å; T1069-F1094 HydrophobicContact CG2-CZ 3.9Å; N1074-F1094 WeakPolarHBondContact O-CD1 3.18Å; N1074-F1094 WeakPolarHBondContact OD1-CB 3.33Å; Q1075-F1094 CarbonylContact O-C 3.58Å; Q1075-F1094 WeakPolarHBondContact O-CA 3.42Å; Q1075-F1094 VanDerWaalsContact O-CB 3.31Å; Q1075-F1094 WeakPolarHBondContact O-CB 3.29Å; V1076-F1094 HydrophobicContact CG1-CD1 4.03Å; V1076-F1094 HydrophobicContact CG1-CE1 3.7Å; L1092-F1094 HydrophobicContact CB-CE2 4.03Å; L1092-F1094 WeakPolarHBondContact O-CD2 3.19Å; F1094-R1096 PolarHBondContact O-N 3.31Å; F1094-T1097 CarbonylContact C-O 3.56Å; F1094-T1097 WeakPolarHBondContact CA-O 3.42Å; F1094-T1097 WeakPolarHBondContact CB-O 3.31Å; F1094-T1097 PolarHBondContact N-O 3.4Å; F1094-T1097 VanDerWaalsContact O-O 3.1Å; F1094-H1099 AromaticContact CD2-CD2 3.81Å; F1094-H1099 AromaticContact CE2-CD2 3.82Å
1095	T	92.2	Very high	79	Confident	24 Å²	24	45.1 Å²	45.1	15%	0.147	23%	0.233	C	C	.	.	S	Bend	trans	-56.8	-21	-178	47.5	0	0	0	0	115.4	R1073 N1074 Q1075 V1077 E1202 P1203	R1073-T1095 PolarHBondContact O-OG1 2.82Å; N1074-T1095 WeakPolarHBondContact CA-OG1 3.34Å; N1074-T1095 PolarHBondContact OD1-N 2.84Å; N1074-T1095 PolarHBondContact OD1-OG1 2.9Å; Q1075-T1095 HydrophobicContact CB-CG2 3.96Å; Q1075-T1095 PolarHBondContact N-OG1 3.34Å; Q1075-T1095 PolarHBondContact O-N 3.44Å; V1077-T1095 HydrophobicContact CG2-CG2 3.79Å; T1095-E1202 WeakPolarHBondContact O-CA 3.48Å; T1095-E1202 VanDerWaalsContact O-CB 3.26Å; T1095-E1202 WeakPolarHBondContact O-CB 3.48Å; T1095-E1202 WeakPolarHBondContact O-CG 3.34Å; T1095-P1203 VanDerWaalsContact O-CD 3.32Å; T1095-P1203 WeakPolarHBondContact O-CD 3.45Å
1096	R	88	Confident	78.1	Confident	9 Å²	9	44.2 Å²	44.2	3%	0.034	23%	0.227	C	C	.	.	S	Bend	trans	-133.5	-12.6	178.9	-73.2	176.1	-68.6	143.5	12.1	114.5	F552 D554 N1074 F1094 A1198 W1199 E1202	F552-R1096 VanDerWaalsContact O-CD 3.29Å; F552-R1096 WeakPolarHBondContact O-CD 3.3Å; F552-R1096 PolarHBondContact O-NH1 3.36Å; D554-R1096 VanDerWaalsContact CG-NH2 3.28Å; D554-R1096 IonicContact OD1-CZ 3.56Å; D554-R1096 VanDerWaalsContact OD1-CZ 3.24Å; D554-R1096 IonicContact OD1-NH1 3.44Å; D554-R1096 PolarHBondContact OD1-NH1 3.36Å; D554-R1096 IonicContact OD1-NH2 2.72Å; D554-R1096 PolarHBondContact OD1-NH2 3.08Å; D554-R1096 IonicContact OD2-CZ 3.88Å; D554-R1096 IonicContact OD2-NH1 2.78Å; D554-R1096 PolarHBondContact OD2-NH1 2.98Å; D554-R1096 IonicContact OD2-NH2 3.61Å; D554-R1096 PolarHBondContact OD2-NH2 2.94Å; N1074-R1096 VanDerWaalsContact N-NH2 3.12Å; N1074-R1096 PolarHBondContact OD1-N 3.33Å; F1094-R1096 PolarHBondContact O-N 3.31Å; R1096-A1198 CarbonylContact O-C 3.54Å; R1096-A1198 VanDerWaalsContact O-CA 3.26Å; R1096-A1198 WeakPolarHBondContact O-CA 3.26Å; R1096-W1199 PolarHBondContact O-N 2.93Å; R1096-E1202 VanDerWaalsContact CD-OE1 3.31Å; R1096-E1202 WeakPolarHBondContact CD-OE1 3.14Å; R1096-E1202 HydrophobicContact CG-CG 3.99Å; R1096-E1202 WeakPolarHBondContact CG-OE1 3.35Å; R1096-E1202 IonicContact NE-OE1 3.08Å
1097	T	90.7	Very high	76.9	Confident	27 Å²	27	43.8 Å²	43.8	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158	178	59.9	0	0	0	0	112.2	N1074 F1094 H1099 F1197 A1198	N1074-T1097 PolarHBondContact ND2-OG1 2.93Å; F1094-T1097 CarbonylContact C-O 3.56Å; F1094-T1097 WeakPolarHBondContact CA-O 3.42Å; F1094-T1097 WeakPolarHBondContact CB-O 3.31Å; F1094-T1097 PolarHBondContact N-O 3.4Å; F1094-T1097 VanDerWaalsContact O-O 3.1Å; T1097-H1099 WeakPolarHBondContact CB-NE2 3.35Å; T1097-H1099 PolarHBondContact OG1-CD2 2.88Å; T1097-H1099 PolarHBondContact OG1-NE2 3.32Å; T1097-F1197 CarbonylContact C-O 3.52Å; T1097-F1197 VanDerWaalsContact CA-O 3.29Å; T1097-F1197 WeakPolarHBondContact CA-O 3.39Å; T1097-A1198 HydrophobicContact CG2-CB 4.5Å
1098	C	91.6	Very high	75.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.1	172.2	-156.7	0	0	0	0	107.8	L1091 F1197	L1091-C1098 VanDerWaalsContact CD1-SG 3.59Å; L1091-C1098 VanDerWaalsContact CG-SG 3.54Å; C1098-F1197 HydrophobicContact CB-CD1 3.94Å; C1098-F1197 HydrophobicContact CB-CD2 4.12Å; C1098-F1197 HydrophobicContact CB-CE1 3.54Å; C1098-F1197 HydrophobicContact CB-CE2 3.73Å; C1098-F1197 HydrophobicContact CB-CG 4.21Å; C1098-F1197 HydrophobicContact CB-CZ 3.43Å; C1098-F1197 VanDerWaalsContact CB-CZ 3.43Å; C1098-F1197 PolarHBondContact N-O 2.82Å; C1098-F1197 PolarHBondContact O-N 3.06Å; C1098-F1197 VanDerWaalsContact O-N 3.15Å
1099	H	89.5	Confident	73.2	Confident	26 Å²	26	46.3 Å²	46.3	12%	0.12	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.6	-175.4	-64.3	-75.5	0	0	0	111.6	F1067 L1092 F1094 T1097 D1196	F1067-H1099 HydrophobicContact CE1-CB 4.4Å; F1067-H1099 AromaticContact CE1-CD2 3.38Å; F1067-H1099 WeakPolarHBondContact CE1-CD2 3.35Å; F1067-H1099 AromaticContact CE1-CG 3.73Å; F1067-H1099 AromaticContact CE1-NE2 3.62Å; F1067-H1099 HydrophobicContact CE2-CB 4.28Å; F1067-H1099 HydrophobicContact CZ-CB 4.22Å; F1067-H1099 AromaticContact CZ-CD2 3.63Å; F1067-H1099 AromaticContact CZ-CE1 3.65Å; F1067-H1099 AromaticContact CZ-CG 3.54Å; F1067-H1099 AromaticContact CZ-ND1 3.55Å; F1067-H1099 AromaticContact CZ-NE2 3.71Å; L1092-H1099 PolarHBondContact N-O 3.14Å; L1092-H1099 PolarHBondContact O-N 3.27Å; F1094-H1099 AromaticContact CD2-CD2 3.81Å; F1094-H1099 AromaticContact CE2-CD2 3.82Å; T1097-H1099 WeakPolarHBondContact CB-NE2 3.35Å; T1097-H1099 PolarHBondContact OG1-CD2 2.88Å; T1097-H1099 PolarHBondContact OG1-NE2 3.32Å; H1099-D1196 VanDerWaalsContact CA-OD1 3.27Å; H1099-D1196 WeakPolarHBondContact CA-OD1 3.35Å; H1099-D1196 IonicContact CE1-OD2 3.56Å; H1099-D1196 IonicContact CG-OD2 3.51Å; H1099-D1196 IonicContact ND1-OD1 3.62Å; H1099-D1196 IonicContact ND1-OD2 3.63Å; H1099-D1196 PolarHBondContact ND1-OD2 3.21Å
1100	F	86.3	Confident	70.7	Confident	19 Å²	19	52.9 Å²	52.9	8%	0.083	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.1	174.1	-76	-99.6	0	0	0	111	L1082 E1089 L1091 S1193 C1195 D1196 L1226	L1082-F1100 HydrophobicContact CD1-CD1 4.32Å; L1082-F1100 HydrophobicContact CD1-CE1 3.7Å; E1089-F1100 WeakPolarHBondContact OE2-CD1 3.37Å; L1091-F1100 HydrophobicContact CD1-CD1 3.88Å; L1091-F1100 HydrophobicContact CD1-CD2 3.77Å; L1091-F1100 HydrophobicContact CD1-CE1 3.65Å; L1091-F1100 HydrophobicContact CD1-CE2 3.51Å; L1091-F1100 HydrophobicContact CD1-CG 3.96Å; L1091-F1100 HydrophobicContact CD1-CZ 3.45Å; L1091-F1100 VanDerWaalsContact CD1-CZ 3.45Å; F1100-S1193 WeakPolarHBondContact CB-OG 3.34Å; F1100-C1195 HydrophobicContact CD2-CB 3.56Å; F1100-C1195 HydrophobicContact CE2-CB 3.44Å; F1100-C1195 VanDerWaalsContact CE2-CB 3.44Å; F1100-C1195 HydrophobicContact CG-CB 4.26Å; F1100-C1195 HydrophobicContact CZ-CB 4.05Å; F1100-D1196 PolarHBondContact N-OD1 3.14Å; F1100-L1226 HydrophobicContact CE1-CD1 4.3Å; F1100-L1226 HydrophobicContact CZ-CD1 3.74Å; F1100-L1226 HydrophobicContact CZ-CG 4.14Å; F1100-L1226 VanDerWaalsContact CZ-O 3.32Å; F1100-L1226 WeakPolarHBondContact CZ-O 3.13Å
1101	Q	84.2	Confident	67.8	Low	44 Å²	44	58.1 Å²	58.1	21%	0.206	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	97.5	179.5	-178	60.7	73.2	0	0	110.5	L1066 L1090 L1092 L1103	L1066-Q1101 HydrophobicContact CD2-CG 4.3Å; L1090-Q1101 PolarHBondContact N-O 3.02Å; L1090-Q1101 PolarHBondContact O-N 2.82Å; L1092-Q1101 HydrophobicContact CD1-CB 3.8Å; L1092-Q1101 HydrophobicContact CD1-CG 4.27Å; L1092-Q1101 HydrophobicContact CG-CB 4.24Å; Q1101-L1103 HydrophobicContact CG-CD2 4.22Å; Q1101-L1103 PolarHBondContact O-N 3.47Å
1102	K	76.9	Confident	64.7	Low	97 Å²	97	63.1 Å²	63.1	42%	0.422	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	135.2	165.1	-73.3	-174.5	-177.2	-62.6	0	109.9	E1087 E1089	E1087-K1102 WeakPolarHBondContact OE2-CE 3.12Å; E1087-K1102 IonicContact OE2-NZ 2.82Å; E1087-K1102 PolarHBondContact OE2-NZ 3.09Å; E1089-K1102 HydrophobicContact CG-CG 3.98Å; E1089-K1102 VanDerWaalsContact OE1-CE 3.3Å; E1089-K1102 WeakPolarHBondContact OE1-CE 3.5Å; E1089-K1102 WeakPolarHBondContact OE1-CG 3.41Å; E1089-K1102 IonicContact OE1-NZ 3.19Å; E1089-K1102 PolarHBondContact OE1-NZ 3.18Å
1103	L	71	Confident	61.4	Low	21 Å²	21	68 Å²	68	11%	0.11	41%	0.407	C	S	.	.			trans	-106	89.7	173.2	-60.3	-174	0	0	0	110.2	V1037 I1040 L1066 H1088 L1090 Q1101 L1105	V1037-L1103 HydrophobicContact CG1-CD1 3.95Å; I1040-L1103 HydrophobicContact CD1-CB 3.71Å; I1040-L1103 HydrophobicContact CD1-CD1 3.47Å; I1040-L1103 VanDerWaalsContact CD1-CD1 3.47Å; I1040-L1103 HydrophobicContact CD1-CG 4.24Å; I1040-L1103 HydrophobicContact CG1-CD1 4.41Å; L1066-L1103 HydrophobicContact CD2-CD2 3.58Å; H1088-L1103 PolarHBondContact O-N 3.21Å; L1090-L1103 HydrophobicContact CD1-CD1 3.81Å; L1090-L1103 HydrophobicContact CD1-CD2 4.21Å; L1090-L1103 HydrophobicContact CD1-CG 4.34Å; L1090-L1103 HydrophobicContact CG-CD1 3.76Å; L1090-L1103 HydrophobicContact CG-CD2 4.45Å; L1090-L1103 HydrophobicContact CG-CG 4.15Å; Q1101-L1103 HydrophobicContact CG-CD2 4.22Å; Q1101-L1103 PolarHBondContact O-N 3.47Å; L1103-L1105 PolarHBondContact O-N 3.01Å
1104	T	59	Low	58.1	Low	120 Å²	120	79.3 Å²	79.3	74%	0.736	45%	0.45	S	S	*	.			trans	-58.4	136.5	173	31.8	0	0	0	0	111.3	I1106	T1104-I1106 PolarHBondContact O-N 3.3Å
1105	L	48.7	Very low	54.9	Low	115 Å²	115	86.9 Å²	86.9	60%	0.602	49%	0.485	S	S	*	.			trans	-68.2	88.9	178.3	-74.7	169.5	0	0	0	111	L1103 T1107	L1103-L1105 PolarHBondContact O-N 3.01Å; L1105-T1107 PolarHBondContact O-N 2.99Å; L1105-T1107 PolarHBondContact O-OG1 3.35Å
1106	I	36.4	Very low	51.8	Low	140 Å²	140	91.7 Å²	91.7	72%	0.718	52%	0.517	S	S	*	.			trans	-67.6	81.6	168.6	-52.4	179.3	0	0	0	108.7	T1104 P1108	T1104-I1106 PolarHBondContact O-N 3.3Å; I1106-P1108 WeakPolarHBondContact O-CD 3.42Å
1107	T	30.4	Very low	49	Very low	115 Å²	115	98.2 Å²	98.2	71%	0.706	55%	0.551	S	S	*	*			trans	-73.8	121.1	176	-62	0	0	0	0	108.9	L1105 G1109	L1105-T1107 PolarHBondContact O-N 2.99Å; L1105-T1107 PolarHBondContact O-OG1 3.35Å; T1107-G1109 PolarHBondContact O-N 3.29Å
1108	P	27.2	Very low	46	Very low	126 Å²	126	103 Å²	103	82%	0.818	58%	0.582	S	S	*	*			trans	-76.5	87.1	-175.4	30.5	-34.8	0	0	0	112.1	I1106	I1106-P1108 WeakPolarHBondContact O-CD 3.42Å
1109	G	25.8	Very low	43.2	Very low	60 Å²	60	108.9 Å²	108.9	62%	0.619	62%	0.618	S	S	*	*			trans	81.1	92.9	147.2	0	0	0	0	0	118.8	T1107	T1107-G1109 PolarHBondContact O-N 3.29Å
1110	I	27.5	Very low	40.2	Very low	165 Å²	165	112.7 Å²	112.7	85%	0.846	65%	0.648	S	S	*	*			trans	-128	83.9	137	-55	-178.3	0	0	0	108.4	S1112	I1110-S1112 PolarHBondContact O-N 3.36Å
1111	S	24.9	Very low	37.5	Very low	113 Å²	113	116.6 Å²	116.6	79%	0.79	68%	0.678	S	S	*	*			trans	-81.4	89.8	168.6	46.2	0	0	0	0	109.8	C1113	S1111-C1113 VanDerWaalsContact C-N 3.26Å; S1111-C1113 PolarHBondContact O-N 3.43Å
1112	S	26.4	Very low	35.1	Very low	104 Å²	104	119.2 Å²	119.2	73%	0.727	70%	0.699	S	S	*	*			trans	-71.8	79.6	176.4	54.9	0	0	0	0	111.4	I1110 R1114	I1110-S1112 PolarHBondContact O-N 3.36Å; S1112-R1114 VanDerWaalsContact C-N 3.35Å; S1112-R1114 PolarHBondContact O-N 3.03Å
1113	C	23.8	Very low	32.8	Very low	104 Å²	104	121.3 Å²	121.3	70%	0.703	71%	0.713	S	S	*	*			trans	-65.1	86.5	179.1	-173.4	0	0	0	0	111.9	S1111 Q1115	S1111-C1113 VanDerWaalsContact C-N 3.26Å; S1111-C1113 PolarHBondContact O-N 3.43Å; C1113-Q1115 PolarHBondContact O-N 2.8Å
1114	R	26.2	Very low	30.7	Very low	237 Å²	237	127.2 Å²	127.2	89%	0.894	74%	0.744	S	S	*	*			trans	-78.7	96.3	162	-82.5	-168.7	168.7	-160.3	-1.8	109.2	S1112	S1112-R1114 VanDerWaalsContact C-N 3.35Å; S1112-R1114 PolarHBondContact O-N 3.03Å
1115	Q	25.4	Very low	29.2	Very low	159 Å²	159	125.3 Å²	125.3	74%	0.743	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-65.6	136.7	168	-65.2	-167.8	-5.4	0	0	110.6	C1113 I1117	C1113-Q1115 PolarHBondContact O-N 2.8Å; Q1115-I1117 PolarHBondContact O-N 2.93Å
1116	P	28.4	Very low	28.2	Very low	124 Å²	124	126.2 Å²	126.2	81%	0.805	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-64.7	123	163.8	-18.3	32	0	0	0	109.8
1117	I	29.4	Very low	27.7	Very low	146 Å²	146	128.3 Å²	128.3	75%	0.749	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-69.3	130.7	179.5	-61.6	170.9	0	0	0	109.2	Q1115 T1119	Q1115-I1117 PolarHBondContact O-N 2.93Å; I1117-T1119 HydrophobicContact CG2-CG2 4.36Å; I1117-T1119 PolarHBondContact O-N 3.06Å
1118	P	27.6	Very low	27.4	Very low	127 Å²	127	129.8 Å²	129.8	83%	0.825	75%	0.75	S	S	*	*			trans	-79.2	107.7	179.7	30.7	-33.6	0	0	0	111.4
1119	T	31.3	Very low	27.4	Very low	124 Å²	124	134 Å²	134	76%	0.761	75%	0.749	S	S	*	*			trans	-115.1	106.8	171.2	55.6	0	0	0	0	111.8	I1117 S1121	I1117-T1119 HydrophobicContact CG2-CG2 4.36Å; I1117-T1119 PolarHBondContact O-N 3.06Å; T1119-S1121 PolarHBondContact O-N 3.35Å
1120	S	27.9	Very low	27.3	Very low	107 Å²	107	136 Å²	136	75%	0.748	75%	0.753	S	S	*	*			trans	-41	123.7	164.4	53.6	0	0	0	0	113.1
1121	S	29.4	Very low	27.4	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	75%	0.753	S	S	*	*				89.6	169	84	89.9	0	0	0	0	112.9	T1119	T1119-S1121 PolarHBondContact O-N 3.35Å
1122	P	34.6	Very low	27.3	Very low	99 Å²	99	140.4 Å²	140.4	64%	0.643	76%	0.757	S	S	*	*			cis	-136.4	-164.3	-13.9	28.4	-4.2	0	0	0	113.8
1123	I	27.4	Very low	27.5	Very low	140 Å²	140	140.4 Å²	140.4	72%	0.718	76%	0.757	S	S	*	*			trans	79	142.5	155.9	-14.6	-176.7	0	0	0	119.7
1124	D	28	Very low	27.6	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	76%	0.756	S	S	*	*			trans	70.6	132.9	161.2	-64.8	-39.3	0	0	0	121.8
1125	S	26.9	Very low	27.6	Very low	80 Å²	80	136 Å²	136	56%	0.559	75%	0.749	S	S	*	*			cis	-162.6	154.2	-26.4	59.7	0	0	0	0	110.1
1126	N	27.3	Very low	27.6	Very low	135 Å²	135	135.5 Å²	135.5	72%	0.722	75%	0.747	S	S	*	*			trans	65.5	149.6	158	-55.6	-39.4	0	0	0	117.6
1127	F	26.2	Very low	27.7	Very low	183 Å²	183	137 Å²	137	80%	0.803	75%	0.747	S	S	*	*			cis	-147.6	156.1	-6.2	-136.5	-137.7	0	0	0	109.3
1128	N	24.6	Very low	27.4	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	75%	0.746	S	S	*	*			trans	-106.2	128.4	-172.4	-177.6	5.9	0	0	0	111.6
1129	W	25.9	Very low	27.5	Very low	214 Å²	214	136.2 Å²	136.2	81%	0.811	74%	0.741	S	S	*	*			trans	-140.5	140.7	174.7	-107.6	69.7	0	0	0	112.5
1130	S	24	Very low	27.4	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	75%	0.745	S	S	*	*			trans	-116	134.2	-175.2	58.6	0	0	0	0	113.3
1131	M	28.9	Very low	27.5	Very low	171 Å²	171	141.8 Å²	141.8	84%	0.842	75%	0.749	S	S	*	*			trans	-150.7	129.9	163.7	-75	-172.2	156.9	0	0	106.7
1132	K	24.4	Very low	27.4	Very low	200 Å²	200	141.2 Å²	141.2	87%	0.87	75%	0.745	S	S	*	*			cis	78.8	75.3	9.2	-138.4	-177.3	-170.9	-175.9	0	116.8
1133	S	29.7	Very low	27.1	Very low	105 Å²	105	142 Å²	142	73%	0.734	75%	0.753	S	S	*	*			trans	-158.1	133.3	144.7	-157.3	0	0	0	0	106.4
1134	S	25.7	Very low	27.3	Very low	98 Å²	98	140.7 Å²	140.7	69%	0.685	75%	0.753	S	S	*	*			cis	70.2	141.4	36	-45.8	0	0	0	0	112
1135	M	26.2	Very low	27.2	Very low	151 Å²	151	137.7 Å²	137.7	74%	0.744	75%	0.749	S	S	*	*			cis	-136.4	143.6	20.1	-66	166	67.9	0	0	114
1136	E	25.1	Very low	27.2	Very low	147 Å²	147	141.7 Å²	141.7	69%	0.687	76%	0.763	S	S	*	*				31.1	128.6	124.1	-47.7	168.2	146.3	0	0	120.5
1137	I	30.7	Very low	27.2	Very low	157 Å²	157	139.6 Å²	139.6	81%	0.805	76%	0.758	S	S	*	*				-127.5	105	106.9	-62.5	-174.3	0	0	0	107.9	T1139	I1137-T1139 HydrophobicContact CG2-CG2 3.79Å
1138	N	24.5	Very low	27.3	Very low	139 Å²	139	137.7 Å²	137.7	74%	0.743	75%	0.752	S	S	*	*			trans	-92.5	121.4	163.2	-122	-13.9	0	0	0	107.3
1139	T	29.3	Very low	27.8	Very low	117 Å²	117	137 Å²	137	72%	0.718	75%	0.753	S	S	*	*			trans	-120	56.9	171.2	42.5	0	0	0	0	111.6	I1137 K1141	I1137-T1139 HydrophobicContact CG2-CG2 3.79Å; T1139-K1141 VanDerWaalsContact C-N 3.27Å; T1139-K1141 PolarHBondContact O-N 3.08Å
1140	N	28.7	Very low	27.9	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	75%	0.75	S	S	*	*			trans	-67.8	91.1	156.5	-87.5	-14.2	0	0	0	109.3
1141	K	30.8	Very low	28.3	Very low	193 Å²	193	132.7 Å²	132.7	84%	0.839	75%	0.748	S	S	*	*			trans	-135.5	133.4	156.6	-83.1	-171.3	175.3	-177.6	0	107.6	T1139	T1139-K1141 VanDerWaalsContact C-N 3.27Å; T1139-K1141 PolarHBondContact O-N 3.08Å
1142	S	26.2	Very low	28.4	Very low	89 Å²	89	130.1 Å²	130.1	62%	0.622	75%	0.747	S	S	*	*			cis	158.3	123.3	-14.2	42	0	0	0	0	103.1
1143	S	27.7	Very low	28.7	Very low	115 Å²	115	125.1 Å²	125.1	80%	0.804	74%	0.737	S	S	*	*			trans	70.8	159.9	162.7	-47.3	0	0	0	0	117
1144	P	31.9	Very low	28.7	Very low	113 Å²	113	124.6 Å²	124.6	73%	0.734	73%	0.733	S	S	*	*			cis	-138.7	157.8	-48	37.9	-24.2	0	0	0	113.8
1145	A	26.3	Very low	29	Very low	82 Å²	82	127.1 Å²	127.1	68%	0.678	74%	0.738	S	S	*	*			trans	43.4	162.4	135.4	0	0	0	0	0	123.1
1146	L	26.7	Very low	29.5	Very low	164 Å²	164	127 Å²	127	86%	0.859	74%	0.74	S	S	*	*			trans	70.1	139.9	173.5	-59.7	116.5	0	0	0	114.9
1147	S	28.2	Very low	29.8	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	74%	0.741	S	S	*	*			cis	-161.4	174.7	-8.2	43	0	0	0	0	111.7
1148	Q	28.4	Very low	30.3	Very low	143 Å²	143	122.6 Å²	122.6	67%	0.668	74%	0.737	S	S	*	*			trans	-4.6	140.1	148.9	-63	140	-28.9	0	0	116.1
1149	V	33.7	Very low	30.8	Very low	132 Å²	132	121.2 Å²	121.2	80%	0.8	74%	0.738	S	S	*	*				-145	128.4	59.8	154.5	0	0	0	0	109
1150	Q	28.8	Very low	31	Very low	161 Å²	161	120.5 Å²	120.5	75%	0.752	74%	0.738	S	S	*	*				70.2	142.6	62.7	-76.8	-171.5	-48.5	0	0	115
1151	G	32.3	Very low	31.4	Very low	65 Å²	65	118.3 Å²	118.3	67%	0.67	73%	0.73	S	S	*	*			trans	113.3	89	-169.1	0	0	0	0	0	110.3
1152	S	30.5	Very low	31.6	Very low	116 Å²	116	115.2 Å²	115.2	81%	0.811	73%	0.728	S	S	*	*				54.9	133	65.9	83.9	0	0	0	0	112.4
1153	S	31.7	Very low	32.2	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	74%	0.736	S	S	*	*			cis	-159	133.5	15.9	-1.9	0	0	0	0	107
1154	S	29.6	Very low	32.6	Very low	94 Å²	94	113.8 Å²	113.8	66%	0.657	73%	0.727	S	S	*	*				59.3	150.8	80.9	78.6	0	0	0	0	115
1155	I	32.2	Very low	32.8	Very low	151 Å²	151	114.3 Å²	114.3	77%	0.774	73%	0.734	S	S	*	*			trans	80	126.5	172.2	-56.3	159.8	0	0	0	111.7
1156	D	35.2	Very low	33.4	Very low	148 Å²	148	115.1 Å²	115.1	79%	0.791	73%	0.734	S	S	*	*			cis	-145.1	177.5	6.9	-134.9	-25.3	0	0	0	115
1157	S	32.6	Very low	33.7	Very low	103 Å²	103	115.2 Å²	115.2	72%	0.72	73%	0.732	S	S	*	*			trans	-109.7	-152	172	-52.2	0	0	0	0	109.9
1158	P	40.6	Very low	33.9	Very low	109 Å²	109	114.4 Å²	114.4	71%	0.708	73%	0.731	S	S	*	*			cis	-133.1	-164.4	-24.3	40.5	-23	0	0	0	113.3
1159	S	34.9	Very low	34.2	Very low	111 Å²	111	118.2 Å²	118.2	78%	0.776	74%	0.739	S	S	*	*			trans	71.4	155.3	153.7	75.8	0	0	0	0	118.5
1160	S	34.3	Very low	34	Very low	101 Å²	101	116.2 Å²	116.2	71%	0.706	73%	0.731	S	S	*	*			cis	-159	-174.7	-25.4	53.8	0	0	0	0	107.1
1161	T	36.4	Very low	33.9	Very low	109 Å²	109	114.2 Å²	114.2	67%	0.669	73%	0.734	S	S	*	*			cis	-169.4	147.2	27.8	-23.9	0	0	0	0	109.1
1162	T	36.2	Very low	33.9	Very low	128 Å²	128	116.5 Å²	116.5	79%	0.785	74%	0.739	S	S	*	*			trans	45.8	150.7	149.7	44.8	0	0	0	0	121.6
1163	S	37.7	Very low	34	Very low	115 Å²	115	116.8 Å²	116.8	80%	0.804	74%	0.738	S	S	*	*			cis	-176.1	156.9	-7	45	0	0	0	0	107.1
1164	G	37.1	Very low	34	Very low	59 Å²	59	120.5 Å²	120.5	61%	0.608	75%	0.745	S	S	*	*			cis	161.5	179.1	0.9	0	0	0	0	0	110.1
1165	S	36.2	Very low	34.1	Very low	125 Å²	125	121.3 Å²	121.3	87%	0.874	75%	0.748	S	S	*	*			trans	61.3	143.9	171.3	38.8	0	0	0	0	118.5
1166	S	37.3	Very low	33.8	Very low	98 Å²	98	118.7 Å²	118.7	69%	0.685	74%	0.743	S	S	*	*			cis	-163	131.5	-8.5	48.8	0	0	0	0	113
1167	M	33.9	Very low	33.5	Very low	167 Å²	167	120.8 Å²	120.8	82%	0.823	75%	0.746	S	S	*	*				50.8	150.4	123.8	-56.5	-179.9	76.6	0	0	122.3
1168	A	31.7	Very low	33.1	Very low	72 Å²	72	123.8 Å²	123.8	60%	0.595	75%	0.754	S	S	*	*			cis	-177.9	175.9	-19.9	0	0	0	0	0	110.4
1169	R	34.6	Very low	32.5	Very low	223 Å²	223	123.3 Å²	123.3	84%	0.842	75%	0.753	S	S	*	*			trans	81.3	148.6	157.5	-58.6	179.9	-171.8	-175.6	2.5	118.7
1170	S	29.7	Very low	32.1	Very low	90 Å²	90	127 Å²	127	63%	0.629	76%	0.76	S	S	*	*			cis	-178.7	141.2	-31.9	50.3	0	0	0	0	111.7
1171	C	26.7	Very low	31.6	Very low	120 Å²	120	128.9 Å²	128.9	81%	0.811	76%	0.762	S	S	*	*			trans	66.4	163.6	162.9	-50.4	0	0	0	0	116
1172	S	32.3	Very low	31.1	Very low	113 Å²	113	131 Å²	131	79%	0.79	77%	0.769	S	S	*	*			cis	-133.6	-149.3	12.4	-51.2	0	0	0	0	112.1
1173	P	34.1	Very low	30.5	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	77%	0.768	S	S	*	*			trans	-120.5	-176.4	-132.6	34.5	-11.2	0	0	0	116.4
1174	E	30.6	Very low	29.8	Very low	173 Å²	173	132.9 Å²	132.9	81%	0.808	76%	0.764	S	S	*	*			trans	-64.7	159.2	169	-62.7	-171.2	158.6	0	0	113.8
1175	P	31.2	Very low	29	Very low	111 Å²	111	136 Å²	136	72%	0.721	77%	0.771	S	S	*	*			trans	-114.3	117.6	139.1	33.9	-24.5	0	0	0	111
1176	S	26.6	Very low	28.5	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	76%	0.762	S	S	*	*			trans	-72.1	135	169.4	54.7	0	0	0	0	111
1177	F	29.7	Very low	27.8	Very low	191 Å²	191	138.9 Å²	138.9	84%	0.838	77%	0.77	S	S	*	*			trans	-128.6	103.1	168.6	-100.5	-82.6	0	0	0	111.3
1178	N	23.8	Very low	27.2	Very low	166 Å²	166	136.5 Å²	136.5	89%	0.888	76%	0.757	S	S	*	*			trans	-80.1	116.2	165.5	-84	-45.5	0	0	0	109.5
1179	S	27.3	Very low	26.9	Very low	99 Å²	99	142.3 Å²	142.3	69%	0.692	77%	0.769	S	S	*	*			trans	-150.7	95.6	161.2	60.9	0	0	0	0	112.7
1180	M	26.3	Very low	26.7	Very low	188 Å²	188	137 Å²	137	93%	0.926	76%	0.761	S	S	*	*			trans	60.2	112.7	153.1	-53.1	-170.7	-169	0	0	118.7	L1182	M1180-L1182 PolarHBondContact O-N 3.09Å
1181	N	24.2	Very low	26.6	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	77%	0.773	S	S	*	*			trans	-54	127.1	160.3	-67.1	-77.5	0	0	0	111.5
1182	L	25.1	Very low	26.9	Very low	154 Å²	154	140.6 Å²	140.6	81%	0.806	76%	0.759	S	S	*	*			trans	-122.9	98.7	138.4	-83.7	175.4	0	0	0	108.2	M1180 L1184	M1180-L1182 PolarHBondContact O-N 3.09Å; L1182-L1184 PolarHBondContact O-N 3.27Å
1183	N	23.3	Very low	27.5	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	73%	0.733	S	S	*	*			trans	-69.4	85.5	165.4	-79.7	-23	0	0	0	108.6
1184	L	23	Very low	28.4	Very low	139 Å²	139	137.7 Å²	137.7	73%	0.728	73%	0.731	S	S	*	*			trans	-96.4	90.6	162.8	-87.1	163.2	0	0	0	108.4	L1182 C1186	L1182-L1184 PolarHBondContact O-N 3.27Å; L1184-C1186 PolarHBondContact O-N 3.02Å
1185	T	22.2	Very low	29.9	Very low	124 Å²	124	130.9 Å²	130.9	76%	0.761	70%	0.702	S	S	*	*			trans	-69.6	75.9	168.3	49.2	0	0	0	0	109.8	E1187	T1185-E1187 PolarHBondContact O-N 2.9Å
1186	C	24.1	Very low	32.2	Very low	100 Å²	100	128.1 Å²	128.1	68%	0.676	68%	0.681	S	S	*	*			trans	-75.6	62.6	161.7	-78.6	0	0	0	0	109.9	L1184 E1188	L1184-C1186 PolarHBondContact O-N 3.02Å; C1186-E1188 PolarHBondContact O-N 2.98Å; C1186-E1188 VanDerWaalsContact O-N 3.07Å
1187	E	23.7	Very low	35.1	Very low	184 Å²	184	124.4 Å²	124.4	86%	0.86	65%	0.653	S	S	*	*			trans	-74.9	40.3	152.1	-68.8	-165.9	136.1	0	0	109.9	T1185 K1189	T1185-E1187 PolarHBondContact O-N 2.9Å; E1187-K1189 PolarHBondContact O-N 3.31Å; E1187-K1189 VanDerWaalsContact O-N 3.12Å
1188	E	21.7	Very low	37.9	Very low	118 Å²	118	117.2 Å²	117.2	55%	0.551	63%	0.628	S	S	*	*			trans	-75.5	103.3	170.4	-168.6	168.5	-162	0	0	106.4	C1186 V1190	C1186-E1188 PolarHBondContact O-N 2.98Å; C1186-E1188 VanDerWaalsContact O-N 3.07Å; E1188-V1190 VanDerWaalsContact C-N 3.26Å; E1188-V1190 PolarHBondContact O-N 2.94Å
1189	K	25.7	Very low	41.1	Very low	193 Å²	193	109.4 Å²	109.4	84%	0.839	59%	0.586	S	S	*	*			trans	-63.5	94.6	169.4	-72.5	-173.2	176	-171.4	0	107.9	E1187 K1191	E1187-K1189 PolarHBondContact O-N 3.31Å; E1187-K1189 VanDerWaalsContact O-N 3.12Å; K1189-K1191 PolarHBondContact O-N 2.83Å; K1189-K1191 VanDerWaalsContact O-N 3.08Å
1190	V	28.6	Very low	44.2	Very low	113 Å²	113	105.1 Å²	105.1	69%	0.685	56%	0.556	S	S	*	*			trans	-43.2	120.8	155.3	178.8	0	0	0	0	105.9	E1188 T1192	E1188-V1190 VanDerWaalsContact C-N 3.26Å; E1188-V1190 PolarHBondContact O-N 2.94Å; V1190-T1192 VanDerWaalsContact C-N 3.34Å; V1190-T1192 PolarHBondContact O-N 2.94Å
1191	K	28	Very low	47.3	Very low	201 Å²	201	96.5 Å²	96.5	87%	0.874	51%	0.513	S	S	*	.			trans	-61.3	99.5	-179.3	-71	-177.9	179.6	179.4	0	107.7	K1189 S1193	K1189-K1191 PolarHBondContact O-N 2.83Å; K1189-K1191 VanDerWaalsContact O-N 3.08Å; K1191-S1193 PolarHBondContact O-N 2.62Å; K1191-S1193 VanDerWaalsContact O-N 3.1Å
1192	T	33.2	Very low	50.5	Low	84 Å²	84	93.1 Å²	93.1	52%	0.515	49%	0.493	S	S	.	.			trans	-53.2	114.9	158	47.2	0	0	0	0	105.5	V1190	V1190-T1192 VanDerWaalsContact C-N 3.34Å; V1190-T1192 PolarHBondContact O-N 2.94Å
1193	S	44.8	Very low	53.7	Low	34 Å²	34	85.9 Å²	85.9	24%	0.238	46%	0.455	C	S	.	.			trans	-57.5	147.7	-177.9	37.5	0	0	0	0	109.7	F1100 K1191 C1195 D1196	F1100-S1193 WeakPolarHBondContact CB-OG 3.34Å; K1191-S1193 PolarHBondContact O-N 2.62Å; K1191-S1193 VanDerWaalsContact O-N 3.1Å; S1193-C1195 PolarHBondContact O-N 2.86Å; S1193-D1196 PolarHBondContact O-N 3Å
1194	D	53.7	Low	57	Low	140 Å²	140	85 Å²	85	75%	0.749	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	18.3	-175.6	-62.7	-82.1	0	0	0	114.4
1195	C	61.5	Low	60.4	Low	29 Å²	29	81.8 Å²	81.8	20%	0.196	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-12.9	179.3	-50.3	0	0	0	0	112.9	F1100 S1193 F1197 I1227	F1100-C1195 HydrophobicContact CD2-CB 3.56Å; F1100-C1195 HydrophobicContact CE2-CB 3.44Å; F1100-C1195 VanDerWaalsContact CE2-CB 3.44Å; F1100-C1195 HydrophobicContact CG-CB 4.26Å; F1100-C1195 HydrophobicContact CZ-CB 4.05Å; S1193-C1195 PolarHBondContact O-N 2.86Å; C1195-F1197 WeakPolarHBondContact O-CD1 3.19Å; C1195-F1197 PolarHBondContact O-N 3.28Å; C1195-I1227 PolarHBondContact SG-O 3.15Å
1196	D	80.4	Confident	63.8	Low	54 Å²	54	76.5 Å²	76.5	29%	0.289	40%	0.396	S	S	.	.			trans	-54.4	130.1	174.6	-87.8	16	0	0	0	111.7	H1099 F1100 S1193	H1099-D1196 VanDerWaalsContact CA-OD1 3.27Å; H1099-D1196 WeakPolarHBondContact CA-OD1 3.35Å; H1099-D1196 IonicContact CE1-OD2 3.56Å; H1099-D1196 IonicContact CG-OD2 3.51Å; H1099-D1196 IonicContact ND1-OD1 3.62Å; H1099-D1196 IonicContact ND1-OD2 3.63Å; H1099-D1196 PolarHBondContact ND1-OD2 3.21Å; F1100-D1196 PolarHBondContact N-OD1 3.14Å; S1193-D1196 PolarHBondContact O-N 3Å
1197	F	86.2	Confident	67.1	Low	17 Å²	17	72 Å²	72	8%	0.075	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	160.5	-176.3	70.3	-96.3	0	0	0	114.4	T1097 C1098 C1195 W1199 I1213 R1224	T1097-F1197 CarbonylContact C-O 3.52Å; T1097-F1197 VanDerWaalsContact CA-O 3.29Å; T1097-F1197 WeakPolarHBondContact CA-O 3.39Å; C1098-F1197 HydrophobicContact CB-CD1 3.94Å; C1098-F1197 HydrophobicContact CB-CD2 4.12Å; C1098-F1197 HydrophobicContact CB-CE1 3.54Å; C1098-F1197 HydrophobicContact CB-CE2 3.73Å; C1098-F1197 HydrophobicContact CB-CG 4.21Å; C1098-F1197 HydrophobicContact CB-CZ 3.43Å; C1098-F1197 VanDerWaalsContact CB-CZ 3.43Å; C1098-F1197 PolarHBondContact N-O 2.82Å; C1098-F1197 PolarHBondContact O-N 3.06Å; C1098-F1197 VanDerWaalsContact O-N 3.15Å; C1195-F1197 WeakPolarHBondContact O-CD1 3.19Å; C1195-F1197 PolarHBondContact O-N 3.28Å; F1197-W1199 AromaticContact CE2-CD2 3.86Å; F1197-W1199 HydrophobicContact CE2-CD2 3.86Å; F1197-W1199 AromaticContact CE2-CE2 3.63Å; F1197-W1199 HydrophobicContact CE2-CE3 4.09Å; F1197-W1199 AromaticContact CE2-CH2 3.91Å; F1197-W1199 HydrophobicContact CE2-CH2 3.91Å; F1197-W1199 AromaticContact CE2-CZ2 3.67Å; F1197-W1199 HydrophobicContact CE2-CZ2 3.67Å; F1197-W1199 HydrophobicContact CE2-CZ3 4.11Å; F1197-W1199 HydrophobicContact CZ-CH2 4.02Å; F1197-W1199 AromaticContact CZ-CZ2 3.75Å; F1197-W1199 HydrophobicContact CZ-CZ2 3.75Å; F1197-I1213 HydrophobicContact CE1-CG2 4.4Å; F1197-I1213 HydrophobicContact CZ-CD1 4.32Å; F1197-I1213 HydrophobicContact CZ-CG2 3.92Å; F1197-R1224 VanDerWaalsContact CE2-CD 3.41Å
1198	A	88.5	Confident	70.1	Confident	40 Å²	40	65 Å²	65	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.8	175.2	0	0	0	0	0	111.4	R1096 T1097 R1224	R1096-A1198 CarbonylContact O-C 3.54Å; R1096-A1198 VanDerWaalsContact O-CA 3.26Å; R1096-A1198 WeakPolarHBondContact O-CA 3.26Å; T1097-A1198 HydrophobicContact CG2-CB 4.5Å; A1198-R1224 PolarHBondContact O-NH1 3.22Å; A1198-R1224 PolarHBondContact O-NH2 3.18Å
1199	W	91.7	Very high	73.1	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.008	31%	0.31	C	S	.	.			trans	-73	150.1	173.5	-67.8	109.6	0	0	0	111.2	R1096 F1197 P1203 V1206 I1213 E1222	R1096-W1199 PolarHBondContact O-N 2.93Å; F1197-W1199 AromaticContact CE2-CD2 3.86Å; F1197-W1199 HydrophobicContact CE2-CD2 3.86Å; F1197-W1199 AromaticContact CE2-CE2 3.63Å; F1197-W1199 HydrophobicContact CE2-CE3 4.09Å; F1197-W1199 AromaticContact CE2-CH2 3.91Å; F1197-W1199 HydrophobicContact CE2-CH2 3.91Å; F1197-W1199 AromaticContact CE2-CZ2 3.67Å; F1197-W1199 HydrophobicContact CE2-CZ2 3.67Å; F1197-W1199 HydrophobicContact CE2-CZ3 4.11Å; F1197-W1199 HydrophobicContact CZ-CH2 4.02Å; F1197-W1199 AromaticContact CZ-CZ2 3.75Å; F1197-W1199 HydrophobicContact CZ-CZ2 3.75Å; W1199-P1203 HydrophobicContact CD2-CG 4.06Å; W1199-P1203 HydrophobicContact CG-CG 4Å; W1199-V1206 HydrophobicContact CZ2-CG1 4.3Å; W1199-V1206 HydrophobicContact CZ2-CG2 4.35Å; W1199-I1213 HydrophobicContact CH2-CD1 4.28Å; W1199-I1213 HydrophobicContact CH2-CG1 4.1Å; W1199-I1213 HydrophobicContact CH2-CG2 4.25Å; W1199-I1213 HydrophobicContact CZ2-CD1 4.15Å; W1199-I1213 HydrophobicContact CZ2-CG1 4.43Å; W1199-E1222 HydrophobicContact CE3-CB 4.37Å; W1199-E1222 HydrophobicContact CE3-CG 4.25Å; W1199-E1222 HydrophobicContact CZ3-CB 4.32Å; W1199-E1222 HydrophobicContact CZ3-CG 4.34Å
1200	T	91.4	Very high	75.5	Confident	9 Å²	9	55.8 Å²	55.8	6%	0.055	29%	0.294	C	S	.	.	S	Bend	trans	-93	-34.6	176.8	-41	0	0	0	0	111.2	W481 K533 C535 E1222 R1224	W481-T1200 HydrophobicContact CH2-CG2 3.43Å; W481-T1200 VanDerWaalsContact CH2-CG2 3.43Å; W481-T1200 HydrophobicContact CZ2-CG2 3.28Å; K533-T1200 HydrophobicContact CB-CG2 4.44Å; C535-T1200 PolarHBondContact N-O 3.32Å; T1200-E1222 VanDerWaalsContact CA-OE2 3.31Å; T1200-E1222 WeakPolarHBondContact CA-OE2 3.38Å; T1200-E1222 WeakPolarHBondContact CB-OE1 3.37Å; T1200-E1222 WeakPolarHBondContact CB-OE2 3.5Å; T1200-E1222 PolarHBondContact N-OE1 3.05Å; T1200-E1222 VanDerWaalsContact N-OE1 3.13Å; T1200-E1222 PolarHBondContact N-OE2 3.11Å; T1200-E1222 VanDerWaalsContact OG1-CD 3.28Å; T1200-E1222 PolarHBondContact OG1-OE1 2.99Å; T1200-E1222 PolarHBondContact OG1-OE2 2.98Å; T1200-R1224 PolarHBondContact OG1-NH2 3.24Å
1201	F	91.2	Very high	78	Confident	7 Å²	7	51 Å²	51	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	-116.2	137.7	170.3	-59.6	-105.1	0	0	0	108.7	C535 P1203 N1217 A1220 E1222 T1234 L1236	C535-F1201 HydrophobicContact CB-CD1 3.52Å; C535-F1201 HydrophobicContact CB-CD2 4.44Å; C535-F1201 HydrophobicContact CB-CE1 3.48Å; C535-F1201 VanDerWaalsContact CB-CE1 3.48Å; C535-F1201 HydrophobicContact CB-CE2 4.39Å; C535-F1201 HydrophobicContact CB-CG 4.03Å; C535-F1201 HydrophobicContact CB-CZ 3.96Å; C535-F1201 WeakPolarHBondContact SG-CE1 3.44Å; C535-F1201 WeakPolarHBondContact SG-CZ 3.3Å; F1201-P1203 WeakPolarHBondContact O-CD 3.34Å; F1201-N1217 HydrophobicContact CB-CB 3.91Å; F1201-A1220 HydrophobicContact CD1-CB 3.58Å; F1201-A1220 HydrophobicContact CD2-CB 3.99Å; F1201-A1220 HydrophobicContact CE1-CB 3.51Å; F1201-A1220 HydrophobicContact CE2-CB 3.97Å; F1201-A1220 HydrophobicContact CG-CB 3.82Å; F1201-A1220 HydrophobicContact CZ-CB 3.71Å; F1201-E1222 PolarHBondContact N-OE2 3.41Å; F1201-T1234 HydrophobicContact CD2-CG2 4.42Å; F1201-T1234 HydrophobicContact CE2-CG2 3.48Å; F1201-T1234 VanDerWaalsContact CE2-CG2 3.48Å; F1201-T1234 HydrophobicContact CZ-CG2 3.85Å; F1201-L1236 HydrophobicContact CE1-CD2 4.17Å; F1201-L1236 HydrophobicContact CZ-CD2 3.85Å
1202	E	91.4	Very high	80.8	Confident	71 Å²	71	41.8 Å²	41.8	33%	0.332	23%	0.225	S	C	.	.			trans	-70	112.2	-177.7	-56.5	-171.7	147.7	0	0	110.8	T1095 R1096 N1217	T1095-E1202 WeakPolarHBondContact O-CA 3.48Å; T1095-E1202 VanDerWaalsContact O-CB 3.26Å; T1095-E1202 WeakPolarHBondContact O-CB 3.48Å; T1095-E1202 WeakPolarHBondContact O-CG 3.34Å; R1096-E1202 VanDerWaalsContact CD-OE1 3.31Å; R1096-E1202 WeakPolarHBondContact CD-OE1 3.14Å; R1096-E1202 HydrophobicContact CG-CG 3.99Å; R1096-E1202 WeakPolarHBondContact CG-OE1 3.35Å; R1096-E1202 IonicContact NE-OE1 3.08Å; E1202-N1217 PolarHBondContact O-ND2 3.21Å
1203	P	93.8	Very high	83.6	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.013	20%	0.2	C	C	.	.			trans	-79.1	139.9	-174.3	32.3	-33.7	0	0	0	111.1	V1077 T1095 W1199 F1201 V1206 F1216	V1077-P1203 WeakPolarHBondContact CG2-O 3.39Å; T1095-P1203 VanDerWaalsContact O-CD 3.32Å; T1095-P1203 WeakPolarHBondContact O-CD 3.45Å; W1199-P1203 HydrophobicContact CD2-CG 4.06Å; W1199-P1203 HydrophobicContact CG-CG 4Å; F1201-P1203 WeakPolarHBondContact O-CD 3.34Å; P1203-V1206 HydrophobicContact CB-CG2 3.95Å; P1203-V1206 HydrophobicContact CG-CG2 4.02Å; P1203-F1216 CarbonylContact C-O 3.52Å; P1203-F1216 WeakPolarHBondContact CA-O 3.46Å
1204	Q	92.6	Very high	86	Confident	124 Å²	124	36.1 Å²	36.1	58%	0.579	19%	0.189	S	C	*	.	S	Bend	trans	-94.1	-28.9	171.2	-64.4	-174.8	-9.7	0	0	111.8	F1216	Q1204-F1216 PolarHBondContact N-O 3.16Å
1205	Q	93.8	Very high	87.9	Confident	72 Å²	72	29.6 Å²	29.6	34%	0.336	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.5	174.4	-62.8	166.2	-67.1	0	0	108.5	F1216 L1242	Q1205-F1216 HydrophobicContact CB-CB 4.23Å; Q1205-F1216 PolarHBondContact N-O 3.27Å; Q1205-F1216 PolarHBondContact O-N 3.17Å; Q1205-L1242 HydrophobicContact CB-CB 4.2Å; Q1205-L1242 HydrophobicContact CB-CD2 4.29Å; Q1205-L1242 PolarHBondContact NE2-O 3.33Å
1206	V	94.2	Very high	89.5	Confident	13 Å²	13	28.3 Å²	28.3	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.5	179.2	179.9	0	0	0	0	109.6	V1077 L1080 C1093 W1199 P1203 I1213 F1214	V1077-V1206 HydrophobicContact CG1-CG2 4.01Å; L1080-V1206 HydrophobicContact CD1-CG1 4.21Å; C1093-V1206 HydrophobicContact CB-CG2 4.14Å; W1199-V1206 HydrophobicContact CZ2-CG1 4.3Å; W1199-V1206 HydrophobicContact CZ2-CG2 4.35Å; P1203-V1206 HydrophobicContact CB-CG2 3.95Å; P1203-V1206 HydrophobicContact CG-CG2 4.02Å; V1206-I1213 HydrophobicContact CG1-CD1 3.66Å; V1206-I1213 HydrophobicContact CG1-CG1 3.7Å; V1206-F1214 WeakPolarHBondContact CA-O 3.45Å
1207	A	92	Very high	90.1	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.7	176.4	0	0	0	0	0	110.8	I1213 F1214 F1216 L1242 V1245	A1207-I1213 CarbonylContact O-C 3.59Å; A1207-I1213 WeakPolarHBondContact O-CA 3.39Å; A1207-I1213 WeakPolarHBondContact O-CG1 3.4Å; A1207-F1214 HydrophobicContact CB-CB 4.29Å; A1207-F1214 PolarHBondContact N-O 2.84Å; A1207-F1214 PolarHBondContact O-N 2.82Å; A1207-F1216 HydrophobicContact CB-CE2 4.07Å; A1207-L1242 HydrophobicContact CB-CD2 4.08Å; A1207-V1245 HydrophobicContact CB-CG1 3.43Å; A1207-V1245 VanDerWaalsContact CB-CG1 3.43Å
1208	V	88.8	Confident	90.2	Very high	38 Å²	38	27.2 Å²	27.2	23%	0.23	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.1	170.3	168.4	0	0	0	0	108.8	L1080 L1082 L1091 I1213 L1226	L1080-V1208 HydrophobicContact CD1-CB 4.25Å; L1080-V1208 HydrophobicContact CD1-CG2 3.6Å; L1082-V1208 HydrophobicContact CD2-CG1 4.25Å; L1091-V1208 HydrophobicContact CD2-CG2 4.19Å; V1208-I1213 HydrophobicContact CG2-CB 4.15Å; V1208-I1213 HydrophobicContact CG2-CD1 3.84Å; V1208-I1213 HydrophobicContact CG2-CG1 3.74Å; V1208-L1226 HydrophobicContact CG1-CD2 3.95Å; V1208-L1226 HydrophobicContact CG2-CD1 4.48Å
1209	C	83.8	Confident	90	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.02	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	88.3	169.5	-60.4	0	0	0	0	106.4	Y1212 F1214 I1388	C1209-Y1212 CarbonylContact C-O 3.57Å; C1209-Y1212 PolarHBondContact N-O 2.93Å; C1209-Y1212 WeakPolarHBondContact O-CA 3.48Å; C1209-Y1212 WeakPolarHBondContact O-CB 3.37Å; C1209-Y1212 PolarHBondContact O-N 3.32Å; C1209-F1214 HydrophobicContact CB-CE2 4.23Å; C1209-I1388 HydrophobicContact CB-CD1 3.62Å; C1209-I1388 HydrophobicContact CB-CG2 4.41Å
1210	F	76.7	Confident	89.9	Confident	115 Å²	115	26.2 Å²	26.2	50%	0.504	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	134.2	-167.8	-177.8	-86.5	0	0	0	112.7	F463 L1226	F463-F1210 AromaticContact CE1-CD1 3.95Å; F463-F1210 HydrophobicContact CE1-CD1 3.95Å; F463-F1210 HydrophobicContact CE1-CE1 4.38Å; F463-F1210 AromaticContact CZ-CD1 3.83Å; F463-F1210 HydrophobicContact CZ-CD1 3.83Å; F463-F1210 HydrophobicContact CZ-CE1 4.29Å; F1210-L1226 HydrophobicContact CD2-CD2 4.27Å
1211	P	80.4	Confident	90	Very high	12 Å²	12	25.8 Å²	25.8	8%	0.078	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.2	12.4	7	35.6	-39	0	0	0	115.4	L1225 L1226	P1211-L1225 HydrophobicContact CB-CD2 4.13Å; P1211-L1225 HydrophobicContact CG-CD2 4.25Å; P1211-L1226 WeakPolarHBondContact O-CB 3.13Å; P1211-L1226 PolarHBondContact O-N 3.44Å
1212	Y	87.3	Confident	90.1	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.027	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	152.3	-170.8	-52.9	-77.7	0	0	0	114	P469 H471 W865 C1209 I1223 R1224 L1225 V1232	P469-Y1212 WeakPolarHBondContact CB-OH 3.48Å; P469-Y1212 HydrophobicContact CG-CE2 4.27Å; P469-Y1212 PolarHBondContact O-OH 2.8Å; P469-Y1212 VanDerWaalsContact O-OH 3.13Å; H471-Y1212 AromaticContact CE1-CE1 3.47Å; H471-Y1212 VanDerWaalsContact CE1-CE1 3.47Å; H471-Y1212 WeakPolarHBondContact CE1-CE1 3.25Å; H471-Y1212 AromaticContact CE1-CZ 3.77Å; H471-Y1212 PolarHBondContact CE1-OH 2.86Å; H471-Y1212 VanDerWaalsContact CE1-OH 3.24Å; H471-Y1212 AromaticContact ND1-CE1 3.73Å; H471-Y1212 AromaticContact ND1-CZ 3.84Å; H471-Y1212 PolarHBondContact ND1-OH 2.85Å; H471-Y1212 AromaticContact NE2-CE1 3.98Å; W865-Y1212 AromaticContact CH2-CD1 3.79Å; W865-Y1212 HydrophobicContact CH2-CD1 3.79Å; W865-Y1212 AromaticContact CH2-CD2 3.76Å; W865-Y1212 HydrophobicContact CH2-CD2 3.76Å; W865-Y1212 AromaticContact CH2-CE1 3.8Å; W865-Y1212 HydrophobicContact CH2-CE1 3.8Å; W865-Y1212 AromaticContact CH2-CE2 3.77Å; W865-Y1212 HydrophobicContact CH2-CE2 3.77Å; W865-Y1212 AromaticContact CH2-CG 3.77Å; W865-Y1212 HydrophobicContact CH2-CG 3.77Å; W865-Y1212 AromaticContact CH2-CZ 3.8Å; W865-Y1212 AromaticContact CZ2-CD1 3.99Å; W865-Y1212 HydrophobicContact CZ2-CD1 3.99Å; W865-Y1212 AromaticContact CZ2-CE1 3.79Å; W865-Y1212 HydrophobicContact CZ2-CE1 3.79Å; W865-Y1212 HydrophobicContact CZ2-CE2 4.49Å; W865-Y1212 HydrophobicContact CZ2-CG 4.43Å; C1209-Y1212 CarbonylContact C-O 3.57Å; C1209-Y1212 PolarHBondContact N-O 2.93Å; C1209-Y1212 WeakPolarHBondContact O-CA 3.48Å; C1209-Y1212 WeakPolarHBondContact O-CB 3.37Å; C1209-Y1212 PolarHBondContact O-N 3.32Å; Y1212-I1223 HydrophobicContact CD1-CG2 4.41Å; Y1212-R1224 WeakPolarHBondContact CA-O 3.41Å; Y1212-L1225 HydrophobicContact CD1-CD2 4.27Å; Y1212-L1225 HydrophobicContact CE1-CD2 4.12Å; Y1212-V1232 HydrophobicContact CD1-CG2 4.47Å; Y1212-V1232 HydrophobicContact CE1-CG2 4.47Å
1213	I	91.5	Very high	90.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.6	167.3	-168.9	171.6	0	0	0	110.8	L1091 F1197 W1199 V1206 A1207 V1208 R1224 L1226	L1091-I1213 HydrophobicContact CD2-CD1 3.36Å; F1197-I1213 HydrophobicContact CE1-CG2 4.4Å; F1197-I1213 HydrophobicContact CZ-CD1 4.32Å; F1197-I1213 HydrophobicContact CZ-CG2 3.92Å; W1199-I1213 HydrophobicContact CH2-CD1 4.28Å; W1199-I1213 HydrophobicContact CH2-CG1 4.1Å; W1199-I1213 HydrophobicContact CH2-CG2 4.25Å; W1199-I1213 HydrophobicContact CZ2-CD1 4.15Å; W1199-I1213 HydrophobicContact CZ2-CG1 4.43Å; V1206-I1213 HydrophobicContact CG1-CD1 3.66Å; V1206-I1213 HydrophobicContact CG1-CG1 3.7Å; A1207-I1213 CarbonylContact O-C 3.59Å; A1207-I1213 WeakPolarHBondContact O-CA 3.39Å; A1207-I1213 WeakPolarHBondContact O-CG1 3.4Å; V1208-I1213 HydrophobicContact CG2-CB 4.15Å; V1208-I1213 HydrophobicContact CG2-CD1 3.84Å; V1208-I1213 HydrophobicContact CG2-CG1 3.74Å; I1213-R1224 HydrophobicContact CG2-CB 3.79Å; I1213-R1224 PolarHBondContact N-O 3.17Å; I1213-R1224 PolarHBondContact O-N 2.87Å; I1213-L1226 HydrophobicContact CB-CD1 4.4Å; I1213-L1226 HydrophobicContact CD1-CD1 4.25Å
1214	F	94.4	Very high	90.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.3	-174.9	-62.6	-108.7	0	0	0	109.5	W865 V1206 A1207 C1209 F1216 I1221 E1222 I1223 I1249 I1386 I1388	W865-F1214 HydrophobicContact CE3-CE1 4.23Å; W865-F1214 HydrophobicContact CE3-CZ 4.13Å; W865-F1214 HydrophobicContact CH2-CZ 4.37Å; W865-F1214 HydrophobicContact CZ3-CE1 4.25Å; W865-F1214 AromaticContact CZ3-CZ 3.7Å; W865-F1214 HydrophobicContact CZ3-CZ 3.7Å; V1206-F1214 WeakPolarHBondContact CA-O 3.45Å; A1207-F1214 HydrophobicContact CB-CB 4.29Å; A1207-F1214 PolarHBondContact N-O 2.84Å; A1207-F1214 PolarHBondContact O-N 2.82Å; C1209-F1214 HydrophobicContact CB-CE2 4.23Å; F1214-F1216 HydrophobicContact CB-CD2 4.2Å; F1214-F1216 HydrophobicContact CB-CE2 3.61Å; F1214-F1216 HydrophobicContact CB-CZ 4.4Å; F1214-F1216 HydrophobicContact CG-CE2 4.47Å; F1214-I1221 HydrophobicContact CB-CG2 4.43Å; F1214-I1221 HydrophobicContact CD1-CG2 3.93Å; F1214-E1222 WeakPolarHBondContact CA-O 3.44Å; F1214-I1223 HydrophobicContact CD1-CD1 4.03Å; F1214-I1223 HydrophobicContact CD1-CG1 3.74Å; F1214-I1223 HydrophobicContact CD1-CG2 4.33Å; F1214-I1223 HydrophobicContact CE1-CD1 3.64Å; F1214-I1223 HydrophobicContact CE1-CG1 3.83Å; F1214-I1223 HydrophobicContact CE1-CG2 4.05Å; F1214-I1223 HydrophobicContact CZ-CG2 4.21Å; F1214-I1249 HydrophobicContact CD1-CD1 3.97Å; F1214-I1249 HydrophobicContact CD2-CD1 3.72Å; F1214-I1249 HydrophobicContact CE1-CD1 3.82Å; F1214-I1249 HydrophobicContact CE2-CD1 3.58Å; F1214-I1249 HydrophobicContact CG-CD1 3.94Å; F1214-I1249 HydrophobicContact CZ-CD1 3.64Å; F1214-I1386 HydrophobicContact CE1-CD1 4.43Å; F1214-I1388 HydrophobicContact CE2-CD1 4.07Å; F1214-I1388 HydrophobicContact CZ-CD1 3.87Å
1215	G	95.4	Very high	89.8	Confident	3 Å²	3	17.5 Å²	17.5	3%	0.031	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.2	167.8	0	0	0	0	0	110.3	I1221 E1222	G1215-I1221 WeakPolarHBondContact O-CA 3.3Å; G1215-E1222 PolarHBondContact N-O 2.89Å; G1215-E1222 PolarHBondContact O-N 2.76Å
1216	F	95.1	Very high	89.3	Confident	1 Å²	1	14.5 Å²	14.5	0%	0.004	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.3	177.5	-72.9	-101.2	0	0	0	110.4	P1203 Q1204 Q1205 A1207 F1214 I1221 L1242 I1249 F1251	P1203-F1216 CarbonylContact C-O 3.52Å; P1203-F1216 WeakPolarHBondContact CA-O 3.46Å; Q1204-F1216 PolarHBondContact N-O 3.16Å; Q1205-F1216 HydrophobicContact CB-CB 4.23Å; Q1205-F1216 PolarHBondContact N-O 3.27Å; Q1205-F1216 PolarHBondContact O-N 3.17Å; A1207-F1216 HydrophobicContact CB-CE2 4.07Å; F1214-F1216 HydrophobicContact CB-CD2 4.2Å; F1214-F1216 HydrophobicContact CB-CE2 3.61Å; F1214-F1216 HydrophobicContact CB-CZ 4.4Å; F1214-F1216 HydrophobicContact CG-CE2 4.47Å; F1216-I1221 HydrophobicContact CD1-CD1 3.92Å; F1216-I1221 HydrophobicContact CD1-CG1 3.92Å; F1216-I1221 HydrophobicContact CE1-CD1 3.44Å; F1216-I1221 VanDerWaalsContact CE1-CD1 3.44Å; F1216-I1221 HydrophobicContact CE1-CG1 3.93Å; F1216-I1221 HydrophobicContact CE1-CG2 4.48Å; F1216-I1221 HydrophobicContact CZ-CD1 4.13Å; F1216-I1221 HydrophobicContact CZ-CG2 4.44Å; F1216-L1242 HydrophobicContact CD1-CB 3.96Å; F1216-L1242 HydrophobicContact CD2-CB 4.1Å; F1216-L1242 HydrophobicContact CD2-CD2 4.33Å; F1216-L1242 HydrophobicContact CE1-CB 4.11Å; F1216-L1242 HydrophobicContact CE1-CD1 4.2Å; F1216-L1242 HydrophobicContact CE2-CB 4.25Å; F1216-L1242 HydrophobicContact CE2-CD1 3.93Å; F1216-L1242 HydrophobicContact CE2-CD2 4.26Å; F1216-L1242 HydrophobicContact CE2-CG 4.38Å; F1216-L1242 HydrophobicContact CG-CB 3.97Å; F1216-L1242 HydrophobicContact CZ-CB 4.27Å; F1216-L1242 HydrophobicContact CZ-CD1 3.72Å; F1216-L1242 HydrophobicContact CZ-CG 4.48Å; F1216-I1249 HydrophobicContact CZ-CG2 3.82Å; F1216-F1251 HydrophobicContact CE1-CB 3.84Å; F1216-F1251 HydrophobicContact CE1-CG 4.29Å
1217	N	91.9	Very high	88.5	Confident	14 Å²	14	16.7 Å²	16.7	8%	0.075	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.4	174.9	172.3	-82.3	0	0	0	108.9	F1201 E1202 S1219 A1220 C1240	F1201-N1217 HydrophobicContact CB-CB 3.91Å; E1202-N1217 PolarHBondContact O-ND2 3.21Å; N1217-S1219 PolarHBondContact O-N 3.41Å; N1217-S1219 PolarHBondContact OD1-N 2.75Å; N1217-A1220 PolarHBondContact N-O 3.5Å; N1217-A1220 PolarHBondContact O-N 3.34Å; N1217-C1240 WeakPolarHBondContact O-CB 3.3Å
1218	P	88.4	Confident	87.9	Confident	34 Å²	34	16.8 Å²	16.8	22%	0.221	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-3.2	-179.9	-27.2	35.9	0	0	0	116.8	D1239	P1218-D1239 WeakPolarHBondContact O-CA 3.14Å; P1218-D1239 PolarHBondContact O-N 3.32Å
1219	S	84.9	Confident	87.7	Confident	22 Å²	22	15.1 Å²	15.1	15%	0.154	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-7	173.8	-62.7	0	0	0	0	114.4	I518 N1217 V1237	I518-S1219 WeakPolarHBondContact CD1-O 3.47Å; N1217-S1219 PolarHBondContact O-N 3.41Å; N1217-S1219 PolarHBondContact OD1-N 2.75Å; S1219-V1237 CarbonylContact C-O 3.56Å; S1219-V1237 WeakPolarHBondContact CA-O 3.25Å; S1219-V1237 PolarHBondContact O-N 3.37Å; S1219-V1237 VanDerWaalsContact O-N 3.12Å
1220	A	89.4	Confident	87.9	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	154.4	-178.2	0	0	0	0	0	114.5	F1201 N1217 T1234 M1235 L1236	F1201-A1220 HydrophobicContact CD1-CB 3.58Å; F1201-A1220 HydrophobicContact CD2-CB 3.99Å; F1201-A1220 HydrophobicContact CE1-CB 3.51Å; F1201-A1220 HydrophobicContact CE2-CB 3.97Å; F1201-A1220 HydrophobicContact CG-CB 3.82Å; F1201-A1220 HydrophobicContact CZ-CB 3.71Å; N1217-A1220 PolarHBondContact N-O 3.5Å; N1217-A1220 PolarHBondContact O-N 3.34Å; A1220-T1234 HydrophobicContact CB-CG2 4.39Å; A1220-M1235 CarbonylContact C-O 3.54Å; A1220-M1235 WeakPolarHBondContact CA-O 3.18Å; A1220-L1236 HydrophobicContact CB-CD2 4.18Å
1221	I	92.9	Very high	88.5	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.6	158.4	-55.1	-178	0	0	0	108.1	F1214 G1215 F1216 I1223 M1235 V1237 C1240 F1251	F1214-I1221 HydrophobicContact CB-CG2 4.43Å; F1214-I1221 HydrophobicContact CD1-CG2 3.93Å; G1215-I1221 WeakPolarHBondContact O-CA 3.3Å; F1216-I1221 HydrophobicContact CD1-CD1 3.92Å; F1216-I1221 HydrophobicContact CD1-CG1 3.92Å; F1216-I1221 HydrophobicContact CE1-CD1 3.44Å; F1216-I1221 VanDerWaalsContact CE1-CD1 3.44Å; F1216-I1221 HydrophobicContact CE1-CG1 3.93Å; F1216-I1221 HydrophobicContact CE1-CG2 4.48Å; F1216-I1221 HydrophobicContact CZ-CD1 4.13Å; F1216-I1221 HydrophobicContact CZ-CG2 4.44Å; I1221-I1223 HydrophobicContact CG2-CG1 4.14Å; I1221-M1235 HydrophobicContact CB-CE 4.39Å; I1221-M1235 HydrophobicContact CD1-CE 3.69Å; I1221-M1235 HydrophobicContact CG1-CE 4.31Å; I1221-M1235 PolarHBondContact N-O 2.83Å; I1221-M1235 PolarHBondContact O-N 3.01Å; I1221-V1237 HydrophobicContact CG1-CG2 4.48Å; I1221-C1240 WeakPolarHBondContact CG1-SG 3.33Å; I1221-F1251 HydrophobicContact CD1-CD1 4.36Å; I1221-F1251 HydrophobicContact CD1-CD2 4.16Å; I1221-F1251 HydrophobicContact CD1-CE1 4.31Å; I1221-F1251 HydrophobicContact CD1-CE2 4.13Å; I1221-F1251 HydrophobicContact CD1-CG 4.28Å; I1221-F1251 HydrophobicContact CD1-CZ 4.19Å
1222	E	93.3	Very high	88.8	Confident	1 Å²	1	10 Å²	10	1%	0.005	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118	176.9	-172.6	175.7	166.5	0	0	110.1	W1199 T1200 F1201 F1214 G1215 R1224 L1231	W1199-E1222 HydrophobicContact CE3-CB 4.37Å; W1199-E1222 HydrophobicContact CE3-CG 4.25Å; W1199-E1222 HydrophobicContact CZ3-CB 4.32Å; W1199-E1222 HydrophobicContact CZ3-CG 4.34Å; T1200-E1222 VanDerWaalsContact CA-OE2 3.31Å; T1200-E1222 WeakPolarHBondContact CA-OE2 3.38Å; T1200-E1222 WeakPolarHBondContact CB-OE1 3.37Å; T1200-E1222 WeakPolarHBondContact CB-OE2 3.5Å; T1200-E1222 PolarHBondContact N-OE1 3.05Å; T1200-E1222 VanDerWaalsContact N-OE1 3.13Å; T1200-E1222 PolarHBondContact N-OE2 3.11Å; T1200-E1222 VanDerWaalsContact OG1-CD 3.28Å; T1200-E1222 PolarHBondContact OG1-OE1 2.99Å; T1200-E1222 PolarHBondContact OG1-OE2 2.98Å; F1201-E1222 PolarHBondContact N-OE2 3.41Å; F1214-E1222 WeakPolarHBondContact CA-O 3.44Å; G1215-E1222 PolarHBondContact N-O 2.89Å; G1215-E1222 PolarHBondContact O-N 2.76Å; E1222-R1224 IonicContact OE1-CZ 2.8Å; E1222-R1224 IonicContact OE1-NE 3.12Å; E1222-R1224 PolarHBondContact OE1-NE 2.87Å; E1222-R1224 IonicContact OE1-NH2 3.12Å; E1222-R1224 PolarHBondContact OE1-NH2 3.01Å; E1222-L1231 HydrophobicContact CG-CD1 3.83Å
1223	I	92.7	Very high	88.8	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.6	-174.7	-47.8	-179.8	0	0	0	109.4	W865 Y1212 F1214 I1221 V1232 H1233	W865-I1223 HydrophobicContact CB-CD1 4Å; W865-I1223 HydrophobicContact CD2-CD1 3.6Å; W865-I1223 HydrophobicContact CE3-CD1 4Å; W865-I1223 HydrophobicContact CG-CD1 3.59Å; W865-I1223 HydrophobicContact CH2-CG2 4.34Å; W865-I1223 HydrophobicContact CZ2-CG2 4.12Å; Y1212-I1223 HydrophobicContact CD1-CG2 4.41Å; F1214-I1223 HydrophobicContact CD1-CD1 4.03Å; F1214-I1223 HydrophobicContact CD1-CG1 3.74Å; F1214-I1223 HydrophobicContact CD1-CG2 4.33Å; F1214-I1223 HydrophobicContact CE1-CD1 3.64Å; F1214-I1223 HydrophobicContact CE1-CG1 3.83Å; F1214-I1223 HydrophobicContact CE1-CG2 4.05Å; F1214-I1223 HydrophobicContact CZ-CG2 4.21Å; I1221-I1223 HydrophobicContact CG2-CG1 4.14Å; I1223-V1232 HydrophobicContact CG2-CB 4.39Å; I1223-V1232 WeakPolarHBondContact O-CB 3.45Å; I1223-V1232 PolarHBondContact O-N 3.03Å; I1223-H1233 HydrophobicContact CB-CB 4.42Å; I1223-H1233 HydrophobicContact CD1-CB 4.39Å; I1223-H1233 PolarHBondContact N-O 3.12Å; I1223-H1233 PolarHBondContact O-N 2.9Å
1224	R	92	Very high	88.7	Confident	26 Å²	26	13.2 Å²	13.2	10%	0.098	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	158.7	-179.6	-72.9	175.8	176.1	-110.6	6.3	111.7	F1197 A1198 T1200 Y1212 I1213 E1222 G1229 S1230 L1231	F1197-R1224 VanDerWaalsContact CE2-CD 3.41Å; A1198-R1224 PolarHBondContact O-NH1 3.22Å; A1198-R1224 PolarHBondContact O-NH2 3.18Å; T1200-R1224 PolarHBondContact OG1-NH2 3.24Å; Y1212-R1224 WeakPolarHBondContact CA-O 3.41Å; I1213-R1224 HydrophobicContact CG2-CB 3.79Å; I1213-R1224 PolarHBondContact N-O 3.17Å; I1213-R1224 PolarHBondContact O-N 2.87Å; E1222-R1224 IonicContact OE1-CZ 2.8Å; E1222-R1224 IonicContact OE1-NE 3.12Å; E1222-R1224 PolarHBondContact OE1-NE 2.87Å; E1222-R1224 IonicContact OE1-NH2 3.12Å; E1222-R1224 PolarHBondContact OE1-NH2 3.01Å; R1224-G1229 PolarHBondContact NH1-O 2.82Å; R1224-S1230 CarbonylContact C-O 3.56Å; R1224-S1230 WeakPolarHBondContact CA-O 3.42Å; R1224-S1230 WeakPolarHBondContact CB-O 3.32Å; R1224-L1231 HydrophobicContact CG-CD1 4.19Å
1225	L	86.5	Confident	88.3	Confident	3 Å²	3	14.3 Å²	14.3	2%	0.016	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.1	161.1	-84.2	-177.7	0	0	0	109.6	H471 E473 P1211 Y1212 I1227 G1229 S1230 V1232	H471-L1225 WeakPolarHBondContact NE2-CD2 3.41Å; H471-L1225 WeakPolarHBondContact NE2-CG 3.44Å; E473-L1225 VanDerWaalsContact CD-CD1 3.43Å; E473-L1225 HydrophobicContact CG-CD1 3.61Å; E473-L1225 WeakPolarHBondContact OE1-CD1 3.36Å; P1211-L1225 HydrophobicContact CB-CD2 4.13Å; P1211-L1225 HydrophobicContact CG-CD2 4.25Å; Y1212-L1225 HydrophobicContact CD1-CD2 4.27Å; Y1212-L1225 HydrophobicContact CE1-CD2 4.12Å; L1225-I1227 HydrophobicContact CB-CG2 4.37Å; L1225-I1227 HydrophobicContact CD1-CG2 4.27Å; L1225-G1229 VanDerWaalsContact O-CA 3.28Å; L1225-G1229 WeakPolarHBondContact O-CA 3.48Å; L1225-G1229 PolarHBondContact O-N 3.45Å; L1225-G1229 VanDerWaalsContact O-N 3.09Å; L1225-S1230 PolarHBondContact N-O 3.23Å; L1225-V1232 HydrophobicContact CG-CG2 4.01Å
1226	L	84.8	Confident	87.8	Confident	9 Å²	9	15.5 Å²	15.5	5%	0.047	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-40.6	173.6	-176.5	64	0	0	0	111.1	L1082 L1091 F1100 V1208 F1210 P1211 I1213 N1228	L1082-L1226 HydrophobicContact CD1-CD1 4.15Å; L1082-L1226 HydrophobicContact CD1-CD2 3.93Å; L1082-L1226 HydrophobicContact CD1-CG 4.37Å; L1082-L1226 HydrophobicContact CD2-CD2 3.92Å; L1091-L1226 HydrophobicContact CD1-CD1 4.15Å; L1091-L1226 HydrophobicContact CD2-CD1 3.66Å; F1100-L1226 HydrophobicContact CE1-CD1 4.3Å; F1100-L1226 HydrophobicContact CZ-CD1 3.74Å; F1100-L1226 HydrophobicContact CZ-CG 4.14Å; F1100-L1226 VanDerWaalsContact CZ-O 3.32Å; F1100-L1226 WeakPolarHBondContact CZ-O 3.13Å; V1208-L1226 HydrophobicContact CG1-CD2 3.95Å; V1208-L1226 HydrophobicContact CG2-CD1 4.48Å; F1210-L1226 HydrophobicContact CD2-CD2 4.27Å; P1211-L1226 WeakPolarHBondContact O-CB 3.13Å; P1211-L1226 PolarHBondContact O-N 3.44Å; I1213-L1226 HydrophobicContact CB-CD1 4.4Å; I1213-L1226 HydrophobicContact CD1-CD1 4.25Å; L1226-N1228 VanDerWaalsContact C-N 3.26Å; L1226-N1228 PolarHBondContact O-N 2.82Å; L1226-N1228 VanDerWaalsContact O-N 3.16Å
1227	I	76.2	Confident	87.3	Confident	59 Å²	59	15.4 Å²	15.4	30%	0.303	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.2	-169.8	-158	170.1	0	0	0	115.1	F739 C1195 L1225	F739-I1227 HydrophobicContact CB-CD1 3.66Å; F739-I1227 HydrophobicContact CB-CG1 3.82Å; F739-I1227 HydrophobicContact CD1-CD1 4.17Å; F739-I1227 HydrophobicContact CG-CD1 4Å; F739-I1227 HydrophobicContact CG-CG1 4.32Å; C1195-I1227 PolarHBondContact SG-O 3.15Å; L1225-I1227 HydrophobicContact CB-CG2 4.37Å; L1225-I1227 HydrophobicContact CD1-CG2 4.27Å
1228	N	79	Confident	87	Confident	5 Å²	5	15.9 Å²	15.9	3%	0.027	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.7	9.6	-175.3	68.6	13.8	0	0	0	114.6	E473 F739 R773 L1226 S1230	E473-N1228 PolarHBondContact OE1-ND2 2.89Å; E473-N1228 PolarHBondContact OE2-ND2 2.87Å; F739-N1228 PolarHBondContact O-ND2 3.01Å; R773-N1228 PolarHBondContact NH1-O 2.8Å; R773-N1228 PolarHBondContact NH2-O 3.43Å; R773-N1228 VanDerWaalsContact NH2-O 3.12Å; L1226-N1228 VanDerWaalsContact C-N 3.26Å; L1226-N1228 PolarHBondContact O-N 2.82Å; L1226-N1228 VanDerWaalsContact O-N 3.16Å; N1228-S1230 PolarHBondContact O-N 3.43Å; N1228-S1230 VanDerWaalsContact O-N 3.13Å; N1228-S1230 WeakPolarHBondContact OD1-CB 3.32Å; N1228-S1230 PolarHBondContact OD1-N 3.06Å; N1228-S1230 PolarHBondContact OD1-OG 3.19Å; N1228-S1230 VanDerWaalsContact OD1-OG 3.11Å
1229	G	85.2	Confident	86.8	Confident	3 Å²	3	16.4 Å²	16.4	3%	0.031	9%	0.087	C	C	.	.			trans	67.5	2.8	-180	0	0	0	0	0	116.7	R1224 L1225	R1224-G1229 PolarHBondContact NH1-O 2.82Å; L1225-G1229 VanDerWaalsContact O-CA 3.28Å; L1225-G1229 WeakPolarHBondContact O-CA 3.48Å; L1225-G1229 PolarHBondContact O-N 3.45Å; L1225-G1229 VanDerWaalsContact O-N 3.09Å
1230	S	87.6	Confident	87	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.007	8%	0.08	C	C	.	.			trans	-60	140.6	-177.3	-76.6	0	0	0	0	112.8	E473 N474 R773 R1224 L1225 N1228	E473-S1230 WeakPolarHBondContact OE2-CB 3.41Å; E473-S1230 PolarHBondContact OE2-OG 3.21Å; N474-S1230 WeakPolarHBondContact ND2-CB 3.19Å; N474-S1230 PolarHBondContact ND2-OG 2.71Å; R773-S1230 PolarHBondContact NH2-OG 2.87Å; R1224-S1230 CarbonylContact C-O 3.56Å; R1224-S1230 WeakPolarHBondContact CA-O 3.42Å; R1224-S1230 WeakPolarHBondContact CB-O 3.32Å; L1225-S1230 PolarHBondContact N-O 3.23Å; N1228-S1230 PolarHBondContact O-N 3.43Å; N1228-S1230 VanDerWaalsContact O-N 3.13Å; N1228-S1230 WeakPolarHBondContact OD1-CB 3.32Å; N1228-S1230 PolarHBondContact OD1-N 3.06Å; N1228-S1230 PolarHBondContact OD1-OG 3.19Å; N1228-S1230 VanDerWaalsContact OD1-OG 3.11Å
1231	L	89	Confident	87	Confident	11 Å²	11	18.7 Å²	18.7	6%	0.058	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129	175.6	-175	66.9	0	0	0	110.5	N474 P475 E478 T479 E1222 R1224	N474-L1231 WeakPolarHBondContact CA-O 3.35Å; N474-L1231 PolarHBondContact N-O 3.16Å; N474-L1231 PolarHBondContact OD1-N 3.38Å; P475-L1231 VanDerWaalsContact CD-O 3.26Å; P475-L1231 WeakPolarHBondContact CD-O 2.97Å; E478-L1231 HydrophobicContact CB-CD2 3.82Å; T479-L1231 HydrophobicContact CG2-CD2 4.29Å; E1222-L1231 HydrophobicContact CG-CD1 3.83Å; R1224-L1231 HydrophobicContact CG-CD1 4.19Å
1232	V	87.4	Confident	87.1	Confident	11 Å²	11	19.8 Å²	19.8	7%	0.067	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-46.8	177.8	-179.9	0	0	0	0	110.5	H471 W865 Y1212 I1223 L1225	H471-V1232 HydrophobicContact CB-CG1 3.88Å; W865-V1232 HydrophobicContact CZ2-CG1 4.13Å; Y1212-V1232 HydrophobicContact CD1-CG2 4.47Å; Y1212-V1232 HydrophobicContact CE1-CG2 4.47Å; I1223-V1232 HydrophobicContact CG2-CB 4.39Å; I1223-V1232 WeakPolarHBondContact O-CB 3.45Å; I1223-V1232 PolarHBondContact O-N 3.03Å; L1225-V1232 HydrophobicContact CG-CG2 4.01Å
1233	H	88.2	Confident	87	Confident	51 Å²	51	20.6 Å²	20.6	24%	0.236	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	155.4	-179.7	-176.1	37.3	0	0	0	111.6	E478 W865 I1223	E478-H1233 IonicContact OE1-CE1 2.75Å; E478-H1233 IonicContact OE1-CG 2.74Å; E478-H1233 IonicContact OE1-ND1 3.31Å; E478-H1233 PolarHBondContact OE1-ND1 2.9Å; W865-H1233 AromaticContact CD1-CD2 3.45Å; W865-H1233 VanDerWaalsContact CD1-CD2 3.45Å; W865-H1233 AromaticContact CD1-CG 3.91Å; W865-H1233 AromaticContact CG-CD2 3.97Å; I1223-H1233 HydrophobicContact CB-CB 4.42Å; I1223-H1233 HydrophobicContact CD1-CB 4.39Å; I1223-H1233 PolarHBondContact N-O 3.12Å; I1223-H1233 PolarHBondContact O-N 2.9Å
1234	T	88.3	Confident	87	Confident	23 Å²	23	21.3 Å²	21.3	14%	0.141	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119	165.2	-61.8	0	0	0	0	109.7	E478 F1201 A1220 L1236	E478-T1234 PolarHBondContact OE1-N 2.86Å; F1201-T1234 HydrophobicContact CD2-CG2 4.42Å; F1201-T1234 HydrophobicContact CE2-CG2 3.48Å; F1201-T1234 VanDerWaalsContact CE2-CG2 3.48Å; F1201-T1234 HydrophobicContact CZ-CG2 3.85Å; A1220-T1234 HydrophobicContact CB-CG2 4.39Å; T1234-L1236 HydrophobicContact CG2-CD2 4.32Å
1235	M	87.2	Confident	86.8	Confident	23 Å²	23	22.9 Å²	22.9	11%	0.113	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.5	172.4	-171	170.9	53.1	0	0	109.3	P867 A1220 I1221 V1237 F1251 I1386	P867-M1235 HydrophobicContact CG-CE 3.65Å; P867-M1235 HydrophobicContact CG-SD 3.49Å; P867-M1235 WeakPolarHBondContact CG-SD 3.49Å; A1220-M1235 CarbonylContact C-O 3.54Å; A1220-M1235 WeakPolarHBondContact CA-O 3.18Å; I1221-M1235 HydrophobicContact CB-CE 4.39Å; I1221-M1235 HydrophobicContact CD1-CE 3.69Å; I1221-M1235 HydrophobicContact CG1-CE 4.31Å; I1221-M1235 PolarHBondContact N-O 2.83Å; I1221-M1235 PolarHBondContact O-N 3.01Å; M1235-V1237 HydrophobicContact CB-CG2 4.36Å; M1235-V1237 HydrophobicContact CE-CG2 3.93Å; M1235-V1237 HydrophobicContact CG-CG2 3.74Å; M1235-V1237 HydrophobicContact SD-CG2 4.3Å; M1235-F1251 HydrophobicContact CE-CZ 4.13Å; M1235-I1386 HydrophobicContact CE-CD1 4.39Å
1236	L	85	Confident	86.8	Confident	28 Å²	28	26.3 Å²	26.3	15%	0.147	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.3	175.6	-61.7	177.6	0	0	0	109.4	I513 Y516 F1201 A1220 T1234	I513-L1236 HydrophobicContact CD1-CD1 3.69Å; Y516-L1236 HydrophobicContact CD2-CB 4.02Å; Y516-L1236 HydrophobicContact CD2-CD1 4.18Å; Y516-L1236 HydrophobicContact CE2-CB 3.97Å; Y516-L1236 HydrophobicContact CE2-CD1 4.01Å; F1201-L1236 HydrophobicContact CE1-CD2 4.17Å; F1201-L1236 HydrophobicContact CZ-CD2 3.85Å; A1220-L1236 HydrophobicContact CB-CD2 4.18Å; T1234-L1236 HydrophobicContact CG2-CD2 4.32Å
1237	V	83.9	Confident	86.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.			trans	-149.4	132.6	-168.4	-177.1	0	0	0	0	110.1	S1219 I1221 M1235 C1240 F1251 S1253 L1258	S1219-V1237 CarbonylContact C-O 3.56Å; S1219-V1237 WeakPolarHBondContact CA-O 3.25Å; S1219-V1237 PolarHBondContact O-N 3.37Å; S1219-V1237 VanDerWaalsContact O-N 3.12Å; I1221-V1237 HydrophobicContact CG1-CG2 4.48Å; M1235-V1237 HydrophobicContact CB-CG2 4.36Å; M1235-V1237 HydrophobicContact CE-CG2 3.93Å; M1235-V1237 HydrophobicContact CG-CG2 3.74Å; M1235-V1237 HydrophobicContact SD-CG2 4.3Å; V1237-C1240 HydrophobicContact CB-CB 3.82Å; V1237-C1240 HydrophobicContact CG1-CB 3.59Å; V1237-F1251 HydrophobicContact CG1-CE2 4.17Å; V1237-S1253 VanDerWaalsContact CG1-CB 3.42Å; V1237-S1253 WeakPolarHBondContact CG1-OG 3.4Å; V1237-L1258 HydrophobicContact CG1-CD1 3.87Å; V1237-L1258 HydrophobicContact CG2-CD1 4.26Å; V1237-L1258 HydrophobicContact CG2-CD2 4.4Å
1238	T	84.4	Confident	87	Confident	23 Å²	23	26 Å²	26	14%	0.141	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	136.8	179.5	59.1	0	0	0	0	113.2	Y516 I518 C1240 S1253 T1254 S1255	Y516-T1238 WeakPolarHBondContact O-CG2 3.36Å; I518-T1238 HydrophobicContact CD1-CG2 4.15Å; I518-T1238 HydrophobicContact CG1-CG2 3.99Å; T1238-C1240 PolarHBondContact O-N 2.7Å; T1238-S1253 VanDerWaalsContact O-CA 3.3Å; T1238-S1253 WeakPolarHBondContact O-CA 3.35Å; T1238-S1253 WeakPolarHBondContact O-CB 3.39Å; T1238-S1253 PolarHBondContact O-OG 3.36Å; T1238-S1253 PolarHBondContact OG1-OG 2.98Å; T1238-T1254 VanDerWaalsContact CB-OG1 3.28Å; T1238-T1254 WeakPolarHBondContact CB-OG1 3.36Å; T1238-T1254 PolarHBondContact O-N 2.82Å; T1238-T1254 VanDerWaalsContact O-N 3.12Å; T1238-T1254 PolarHBondContact OG1-OG1 2.63Å; T1238-S1255 PolarHBondContact OG1-N 3.31Å; T1238-S1255 PolarHBondContact OG1-OG 3.43Å
1239	D	85.8	Confident	87.6	Confident	45 Å²	45	25.8 Å²	25.8	24%	0.241	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.9	50.4	-176.3	-159.6	4.6	0	0	0	112.9	P1218 R1241 T1254	P1218-D1239 WeakPolarHBondContact O-CA 3.14Å; P1218-D1239 PolarHBondContact O-N 3.32Å; D1239-R1241 PolarHBondContact O-N 2.96Å; D1239-R1241 IonicContact OD1-CZ 2.92Å; D1239-R1241 IonicContact OD1-NE 2.68Å; D1239-R1241 PolarHBondContact OD1-NE 2.91Å; D1239-R1241 IonicContact OD1-NH2 3.04Å; D1239-R1241 PolarHBondContact OD1-NH2 3.07Å; D1239-R1241 VanDerWaalsContact OD1-NH2 3.12Å; D1239-R1241 IonicContact OD2-CZ 3.8Å; D1239-R1241 IonicContact OD2-NE 3.15Å; D1239-R1241 IonicContact OD2-NH2 2.88Å; D1239-R1241 PolarHBondContact OD2-NH2 3.31Å; D1239-T1254 HydrophobicContact CB-CG2 4.19Å
1240	C	88.4	Confident	87.9	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.144	C	C	.	.			trans	-76.3	121.7	-174.5	-166.7	0	0	0	0	111.7	N1217 I1221 V1237 T1238 T1252	N1217-C1240 WeakPolarHBondContact O-CB 3.3Å; I1221-C1240 WeakPolarHBondContact CG1-SG 3.33Å; V1237-C1240 HydrophobicContact CB-CB 3.82Å; V1237-C1240 HydrophobicContact CG1-CB 3.59Å; T1238-C1240 PolarHBondContact O-N 2.7Å; C1240-T1252 WeakPolarHBondContact CA-O 3.43Å
1241	R	90.3	Very high	88.1	Confident	69 Å²	69	26.1 Å²	26.1	26%	0.26	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.1	178.8	-47	-175.8	-165.7	177.1	9.4	111.5	E877 D1239 F1251 T1252	E877-R1241 IonicContact OE1-CZ 3.44Å; E877-R1241 IonicContact OE1-NH1 3.36Å; E877-R1241 PolarHBondContact OE1-NH1 2.67Å; E877-R1241 IonicContact OE1-NH2 3.58Å; E877-R1241 PolarHBondContact OE1-NH2 2.66Å; D1239-R1241 PolarHBondContact O-N 2.96Å; D1239-R1241 IonicContact OD1-CZ 2.92Å; D1239-R1241 IonicContact OD1-NE 2.68Å; D1239-R1241 PolarHBondContact OD1-NE 2.91Å; D1239-R1241 IonicContact OD1-NH2 3.04Å; D1239-R1241 PolarHBondContact OD1-NH2 3.07Å; D1239-R1241 VanDerWaalsContact OD1-NH2 3.12Å; D1239-R1241 IonicContact OD2-CZ 3.8Å; D1239-R1241 IonicContact OD2-NE 3.15Å; D1239-R1241 IonicContact OD2-NH2 2.88Å; D1239-R1241 PolarHBondContact OD2-NH2 3.31Å; R1241-F1251 CarbonylContact O-C 3.46Å; R1241-F1251 VanDerWaalsContact O-CA 3.26Å; R1241-F1251 WeakPolarHBondContact O-CA 3.42Å; R1241-F1251 WeakPolarHBondContact O-CB 3.45Å; R1241-T1252 PolarHBondContact N-O 3.02Å; R1241-T1252 PolarHBondContact O-N 2.94Å; R1241-T1252 PolarHBondContact O-OG1 3.15Å
1242	L	93.3	Very high	88.3	Confident	22 Å²	22	25.9 Å²	25.9	12%	0.115	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.8	177.1	174.8	69.6	0	0	0	109.8	Q1205 A1207 F1216 V1245 I1249	Q1205-L1242 HydrophobicContact CB-CB 4.2Å; Q1205-L1242 HydrophobicContact CB-CD2 4.29Å; Q1205-L1242 PolarHBondContact NE2-O 3.33Å; A1207-L1242 HydrophobicContact CB-CD2 4.08Å; F1216-L1242 HydrophobicContact CD1-CB 3.96Å; F1216-L1242 HydrophobicContact CD2-CB 4.1Å; F1216-L1242 HydrophobicContact CD2-CD2 4.33Å; F1216-L1242 HydrophobicContact CE1-CB 4.11Å; F1216-L1242 HydrophobicContact CE1-CD1 4.2Å; F1216-L1242 HydrophobicContact CE2-CB 4.25Å; F1216-L1242 HydrophobicContact CE2-CD1 3.93Å; F1216-L1242 HydrophobicContact CE2-CD2 4.26Å; F1216-L1242 HydrophobicContact CE2-CG 4.38Å; F1216-L1242 HydrophobicContact CG-CB 3.97Å; F1216-L1242 HydrophobicContact CZ-CB 4.27Å; F1216-L1242 HydrophobicContact CZ-CD1 3.72Å; F1216-L1242 HydrophobicContact CZ-CG 4.48Å; L1242-V1245 HydrophobicContact CD1-CG1 4.01Å; L1242-V1245 HydrophobicContact CD2-CG1 4.09Å; L1242-I1249 HydrophobicContact CD1-CG2 4.09Å
1243	I	92.4	Very high	88.4	Confident	18 Å²	18	25.3 Å²	25.3	9%	0.092	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-66.3	171.4	-55	170.8	0	0	0	108.4	G881 L888 Y1250 T1252 I1383	G881-I1243 VanDerWaalsContact CA-CG2 3.46Å; L888-I1243 HydrophobicContact CD1-CG2 4.22Å; L888-I1243 HydrophobicContact CD2-CD1 4.29Å; I1243-Y1250 WeakPolarHBondContact CB-O 3.49Å; I1243-Y1250 PolarHBondContact N-O 2.77Å; I1243-T1252 HydrophobicContact CD1-CG2 3.69Å; I1243-T1252 HydrophobicContact CG1-CG2 3.79Å; I1243-I1383 HydrophobicContact CD1-CG2 3.94Å
1244	T	91.5	Very high	88.3	Confident	15 Å²	15	24.2 Å²	24.2	9%	0.092	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	163.1	-178.9	-176.4	0	0	0	0	110.8	D882 V883 L888 K1246 Y1250	D882-T1244 WeakPolarHBondContact OD1-CB 3.18Å; D882-T1244 PolarHBondContact OD1-OG1 3.03Å; V883-T1244 HydrophobicContact CG2-CG2 4.02Å; L888-T1244 HydrophobicContact CD1-CG2 3.92Å; T1244-K1246 WeakPolarHBondContact OG1-CB 3.38Å; T1244-K1246 PolarHBondContact OG1-N 3.48Å; T1244-Y1250 HydrophobicContact CG2-CD2 3.82Å; T1244-Y1250 HydrophobicContact CG2-CG 4.3Å; T1244-Y1250 PolarHBondContact N-O 2.95Å; T1244-Y1250 PolarHBondContact O-N 2.9Å
1245	V	88.7	Confident	87.8	Confident	60 Å²	60	23.9 Å²	23.9	36%	0.364	13%	0.134	S	C	.	.			trans	-110.8	5.2	176	-58.2	0	0	0	0	112.3	A1207 L1242 G1247 D1248	A1207-V1245 HydrophobicContact CB-CG1 3.43Å; A1207-V1245 VanDerWaalsContact CB-CG1 3.43Å; L1242-V1245 HydrophobicContact CD1-CG1 4.01Å; L1242-V1245 HydrophobicContact CD2-CG1 4.09Å; V1245-G1247 PolarHBondContact O-N 2.97Å; V1245-D1248 CarbonylContact C-O 3.59Å; V1245-D1248 WeakPolarHBondContact CA-O 3.16Å
1246	K	86.4	Confident	87.1	Confident	75 Å²	75	27.7 Å²	27.7	33%	0.326	15%	0.152	S	C	.	.	S	Bend	trans	-80.7	117.2	-170.1	-166.5	178.2	-173.3	-174.1	0	110.5	D882 V883 V920 T1244 D1248	D882-K1246 WeakPolarHBondContact OD1-CB 3.49Å; D882-K1246 WeakPolarHBondContact OD1-CD 3.39Å; D882-K1246 IonicContact OD1-NZ 2.61Å; D882-K1246 WeakPolarHBondContact OD2-CD 3.36Å; D882-K1246 IonicContact OD2-NZ 3.85Å; D882-K1246 PolarHBondContact OD2-NZ 3.21Å; V883-K1246 HydrophobicContact CB-CB 4.32Å; V883-K1246 HydrophobicContact CB-CD 4.26Å; V883-K1246 HydrophobicContact CB-CG 4.38Å; V883-K1246 WeakPolarHBondContact O-CD 3.5Å; V883-K1246 WeakPolarHBondContact O-CE 3.02Å; V883-K1246 PolarHBondContact O-NZ 3.25Å; V920-K1246 VanDerWaalsContact CB-NZ 3.34Å; V920-K1246 PolarHBondContact O-NZ 2.75Å; T1244-K1246 WeakPolarHBondContact OG1-CB 3.38Å; T1244-K1246 PolarHBondContact OG1-N 3.48Å; K1246-D1248 PolarHBondContact N-O 2.81Å; K1246-D1248 PolarHBondContact O-N 3.24Å
1247	G	79.9	Confident	86.3	Confident	47 Å²	47	29.6 Å²	29.6	49%	0.485	17%	0.165	S	C	.	.	S	Bend	trans	78.7	-43	-174.5	0	0	0	0	0	113.5	V1245 Y1389	V1245-G1247 PolarHBondContact O-N 2.97Å; G1247-Y1389 WeakPolarHBondContact O-CB 3.34Å; G1247-Y1389 VanDerWaalsContact O-CD2 3.3Å; G1247-Y1389 WeakPolarHBondContact O-CD2 3.44Å
1248	D	85.7	Confident	85.8	Confident	14 Å²	14	30.6 Å²	30.6	8%	0.075	17%	0.17	C	C	.	.	S	Bend	trans	-157.6	175.4	170.3	-82.7	-55.9	0	0	0	109.3	V1245 K1246 Y1250 K1385 P1387 I1388 Y1389	V1245-D1248 CarbonylContact C-O 3.59Å; V1245-D1248 WeakPolarHBondContact CA-O 3.16Å; K1246-D1248 PolarHBondContact N-O 2.81Å; K1246-D1248 PolarHBondContact O-N 3.24Å; D1248-Y1250 HydrophobicContact CB-CE2 4Å; D1248-Y1250 WeakPolarHBondContact O-CD2 3.31Å; D1248-Y1250 WeakPolarHBondContact O-CE2 3.24Å; D1248-K1385 HydrophobicContact CB-CD 4.29Å; D1248-K1385 HydrophobicContact CB-CG 4.23Å; D1248-K1385 WeakPolarHBondContact OD2-CE 3.07Å; D1248-K1385 IonicContact OD2-NZ 2.69Å; D1248-K1385 PolarHBondContact OD2-NZ 3.35Å; D1248-P1387 WeakPolarHBondContact OD1-CA 3.47Å; D1248-I1388 PolarHBondContact OD1-N 3.26Å; D1248-Y1389 PolarHBondContact OD1-N 2.84Å
1249	I	90.9	Very high	84.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.8	172.7	-66	-177.1	0	0	0	109.8	F1214 F1216 L1242 K1385 I1386 I1388	F1214-I1249 HydrophobicContact CD1-CD1 3.97Å; F1214-I1249 HydrophobicContact CD2-CD1 3.72Å; F1214-I1249 HydrophobicContact CE1-CD1 3.82Å; F1214-I1249 HydrophobicContact CE2-CD1 3.58Å; F1214-I1249 HydrophobicContact CG-CD1 3.94Å; F1214-I1249 HydrophobicContact CZ-CD1 3.64Å; F1216-I1249 HydrophobicContact CZ-CG2 3.82Å; L1242-I1249 HydrophobicContact CD1-CG2 4.09Å; I1249-K1385 CarbonylContact O-C 3.21Å; I1249-K1385 VanDerWaalsContact O-CA 3.28Å; I1249-K1385 WeakPolarHBondContact O-CA 3.39Å; I1249-I1386 HydrophobicContact CB-CB 4.28Å; I1249-I1386 PolarHBondContact N-O 2.92Å; I1249-I1386 PolarHBondContact O-N 2.99Å; I1249-I1388 HydrophobicContact CD1-CD1 3.59Å; I1249-I1388 HydrophobicContact CG1-CD1 3.88Å
1250	Y	91.6	Very high	83	Confident	12 Å²	12	37.9 Å²	37.9	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.5	173.1	-61.7	-99.6	0	0	0	110	I870 V883 L888 I1243 T1244 D1248 Y1384 K1385	I870-Y1250 HydrophobicContact CD1-CD1 3.55Å; I870-Y1250 HydrophobicContact CD1-CE1 3.5Å; I870-Y1250 VanDerWaalsContact CD1-CE1 3.5Å; V883-Y1250 HydrophobicContact CG2-CD2 4.17Å; V883-Y1250 HydrophobicContact CG2-CE2 3.67Å; L888-Y1250 HydrophobicContact CD1-CD1 4.01Å; L888-Y1250 HydrophobicContact CD1-CD2 4.36Å; L888-Y1250 HydrophobicContact CD1-CE1 4.44Å; L888-Y1250 HydrophobicContact CD1-CG 3.97Å; L888-Y1250 HydrophobicContact CD2-CD1 3.92Å; L888-Y1250 HydrophobicContact CD2-CG 4.48Å; L888-Y1250 HydrophobicContact CG-CD1 4.49Å; I1243-Y1250 WeakPolarHBondContact CB-O 3.49Å; I1243-Y1250 PolarHBondContact N-O 2.77Å; T1244-Y1250 HydrophobicContact CG2-CD2 3.82Å; T1244-Y1250 HydrophobicContact CG2-CG 4.3Å; T1244-Y1250 PolarHBondContact N-O 2.95Å; T1244-Y1250 PolarHBondContact O-N 2.9Å; D1248-Y1250 HydrophobicContact CB-CE2 4Å; D1248-Y1250 WeakPolarHBondContact O-CD2 3.31Å; D1248-Y1250 WeakPolarHBondContact O-CE2 3.24Å; Y1250-Y1384 WeakPolarHBondContact CA-O 3.01Å; Y1250-K1385 HydrophobicContact CD1-CB 4.16Å; Y1250-K1385 HydrophobicContact CD1-CD 4.41Å; Y1250-K1385 HydrophobicContact CE1-CB 4.27Å; Y1250-K1385 HydrophobicContact CE1-CD 3.71Å; Y1250-K1385 HydrophobicContact CE1-CG 4.34Å; Y1250-K1385 PolarHBondContact OH-NZ 3.08Å
1251	F	92.9	Very high	80.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	164.6	-178	77.2	-87.9	0	0	0	112.2	P867 F1216 I1221 M1235 V1237 R1241 L1258 Y1384 I1386	P867-F1251 HydrophobicContact CB-CE1 3.85Å; P867-F1251 HydrophobicContact CB-CZ 3.69Å; P867-F1251 HydrophobicContact CG-CE1 4.08Å; P867-F1251 HydrophobicContact CG-CZ 3.73Å; F1216-F1251 HydrophobicContact CE1-CB 3.84Å; F1216-F1251 HydrophobicContact CE1-CG 4.29Å; I1221-F1251 HydrophobicContact CD1-CD1 4.36Å; I1221-F1251 HydrophobicContact CD1-CD2 4.16Å; I1221-F1251 HydrophobicContact CD1-CE1 4.31Å; I1221-F1251 HydrophobicContact CD1-CE2 4.13Å; I1221-F1251 HydrophobicContact CD1-CG 4.28Å; I1221-F1251 HydrophobicContact CD1-CZ 4.19Å; M1235-F1251 HydrophobicContact CE-CZ 4.13Å; V1237-F1251 HydrophobicContact CG1-CE2 4.17Å; R1241-F1251 CarbonylContact O-C 3.46Å; R1241-F1251 VanDerWaalsContact O-CA 3.26Å; R1241-F1251 WeakPolarHBondContact O-CA 3.42Å; R1241-F1251 WeakPolarHBondContact O-CB 3.45Å; F1251-L1258 HydrophobicContact CE2-CD1 3.85Å; F1251-L1258 HydrophobicContact CZ-CD1 3.9Å; F1251-Y1384 VanDerWaalsContact CE1-CB 3.46Å; F1251-Y1384 HydrophobicContact CE1-CG 4.42Å; F1251-Y1384 HydrophobicContact CE2-CD2 4.06Å; F1251-Y1384 HydrophobicContact CE2-CG 4.28Å; F1251-Y1384 VanDerWaalsContact CZ-CB 3.49Å; F1251-Y1384 HydrophobicContact CZ-CD2 4.21Å; F1251-Y1384 AromaticContact CZ-CG 3.99Å; F1251-Y1384 HydrophobicContact CZ-CG 3.99Å; F1251-Y1384 PolarHBondContact N-O 3.45Å; F1251-Y1384 PolarHBondContact O-N 3.32Å; F1251-I1386 HydrophobicContact CD1-CD1 4.48Å; F1251-I1386 HydrophobicContact CD1-CG1 4.25Å; F1251-I1386 HydrophobicContact CE1-CD1 4.05Å; F1251-I1386 HydrophobicContact CE1-CG1 3.77Å
1252	T	91.8	Very high	77.9	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	153.2	176.3	62.3	0	0	0	0	112.2	I878 C1240 R1241 I1243 F1382	I878-T1252 HydrophobicContact CB-CG2 3.86Å; I878-T1252 HydrophobicContact CD1-CG2 3.54Å; I878-T1252 HydrophobicContact CG1-CG2 4.3Å; I878-T1252 HydrophobicContact CG2-CG2 3.64Å; C1240-T1252 WeakPolarHBondContact CA-O 3.43Å; R1241-T1252 PolarHBondContact N-O 3.02Å; R1241-T1252 PolarHBondContact O-N 2.94Å; R1241-T1252 PolarHBondContact O-OG1 3.15Å; I1243-T1252 HydrophobicContact CD1-CG2 3.69Å; I1243-T1252 HydrophobicContact CG1-CG2 3.79Å; T1252-F1382 VanDerWaalsContact CA-O 3.3Å; T1252-F1382 WeakPolarHBondContact CA-O 3.11Å
1253	S	89.1	Confident	74.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	156.1	167.6	177.2	0	0	0	0	110.9	V1237 T1238 S1255 F1382	V1237-S1253 VanDerWaalsContact CG1-CB 3.42Å; V1237-S1253 WeakPolarHBondContact CG1-OG 3.4Å; T1238-S1253 VanDerWaalsContact O-CA 3.3Å; T1238-S1253 WeakPolarHBondContact O-CA 3.35Å; T1238-S1253 WeakPolarHBondContact O-CB 3.39Å; T1238-S1253 PolarHBondContact O-OG 3.36Å; T1238-S1253 PolarHBondContact OG1-OG 2.98Å; S1253-S1255 VanDerWaalsContact C-N 3.31Å; S1253-S1255 WeakPolarHBondContact OG-CB 3.45Å; S1253-S1255 PolarHBondContact OG-N 2.96Å; S1253-F1382 PolarHBondContact N-O 3.33Å; S1253-F1382 WeakPolarHBondContact O-CB 3.46Å; S1253-F1382 WeakPolarHBondContact O-CD2 3.45Å; S1253-F1382 PolarHBondContact O-N 3.46Å
1254	T	86.5	Confident	71.4	Confident	28 Å²	28	54.8 Å²	54.8	17%	0.172	30%	0.302	C	S	.	.	S	Bend	trans	-83	-4.1	167.4	49.9	0	0	0	0	113.8	T1238 D1239 Q1379 N1381	T1238-T1254 VanDerWaalsContact CB-OG1 3.28Å; T1238-T1254 WeakPolarHBondContact CB-OG1 3.36Å; T1238-T1254 PolarHBondContact O-N 2.82Å; T1238-T1254 VanDerWaalsContact O-N 3.12Å; T1238-T1254 PolarHBondContact OG1-OG1 2.63Å; D1239-T1254 HydrophobicContact CB-CG2 4.19Å; T1254-Q1379 HydrophobicContact CG2-CB 3.96Å; T1254-N1381 WeakPolarHBondContact CG2-OD1 3.39Å
1255	S	78.5	Confident	68.3	Low	15 Å²	15	59.6 Å²	59.6	11%	0.105	33%	0.331	C	S	.	.			trans	-80.8	119.8	175.9	-69.3	0	0	0	0	111.2	T1238 S1253 T1257 Y1384	T1238-S1255 PolarHBondContact OG1-N 3.31Å; T1238-S1255 PolarHBondContact OG1-OG 3.43Å; S1253-S1255 VanDerWaalsContact C-N 3.31Å; S1253-S1255 WeakPolarHBondContact OG-CB 3.45Å; S1253-S1255 PolarHBondContact OG-N 2.96Å; S1255-T1257 VanDerWaalsContact C-N 3.32Å; S1255-T1257 PolarHBondContact O-N 3.5Å; S1255-Y1384 WeakPolarHBondContact O-CE2 3.32Å; S1255-Y1384 PolarHBondContact O-OH 2.99Å
1256	E	72.4	Confident	65.4	Low	104 Å²	104	63.5 Å²	63.5	49%	0.486	35%	0.349	S	S	.	.	S	Bend	trans	-73	-22.6	177.1	-176.4	161	-143.2	0	0	113.6	K872 F1382 Y1384	K872-E1256 IonicContact NZ-OE1 2.75Å; K872-E1256 PolarHBondContact NZ-OE1 3.28Å; E1256-F1382 HydrophobicContact CB-CD2 4.42Å; E1256-F1382 HydrophobicContact CB-CE1 3.92Å; E1256-F1382 HydrophobicContact CB-CE2 3.7Å; E1256-F1382 HydrophobicContact CB-CZ 3.42Å; E1256-F1382 VanDerWaalsContact CB-CZ 3.42Å; E1256-F1382 HydrophobicContact CG-CD1 4.48Å; E1256-F1382 HydrophobicContact CG-CE1 3.67Å; E1256-F1382 HydrophobicContact CG-CE2 4.38Å; E1256-F1382 HydrophobicContact CG-CZ 3.63Å; E1256-Y1384 PolarHBondContact O-OH 3.15Å; E1256-Y1384 VanDerWaalsContact O-OH 3.08Å
1257	T	67.4	Low	62.4	Low	68 Å²	68	63 Å²	63	42%	0.417	35%	0.35	S	S	.	.			trans	-112.8	38.9	-162.1	60.8	0	0	0	0	114.3	S1255 Y1260	S1255-T1257 VanDerWaalsContact C-N 3.32Å; S1255-T1257 PolarHBondContact O-N 3.5Å; T1257-Y1260 WeakPolarHBondContact O-CD2 3.38Å; T1257-Y1260 WeakPolarHBondContact O-CE2 3.38Å
1258	L	73.1	Confident	59.8	Low	21 Å²	21	65.8 Å²	65.8	11%	0.11	35%	0.353	C	S	.	.			trans	-80.2	-26.4	174.2	-53.5	-177.8	0	0	0	113	P867 V1237 F1251 Y1260 Y1384	P867-L1258 HydrophobicContact CB-CB 4.1Å; P867-L1258 HydrophobicContact CG-CB 4.02Å; P867-L1258 HydrophobicContact CG-CD1 4.39Å; V1237-L1258 HydrophobicContact CG1-CD1 3.87Å; V1237-L1258 HydrophobicContact CG2-CD1 4.26Å; V1237-L1258 HydrophobicContact CG2-CD2 4.4Å; F1251-L1258 HydrophobicContact CE2-CD1 3.85Å; F1251-L1258 HydrophobicContact CZ-CD1 3.9Å; L1258-Y1260 PolarHBondContact O-N 3.07Å; L1258-Y1384 HydrophobicContact CB-CD1 4.33Å; L1258-Y1384 HydrophobicContact CB-CE1 3.72Å; L1258-Y1384 HydrophobicContact CB-CE2 4.28Å; L1258-Y1384 HydrophobicContact CD1-CD2 3.79Å; L1258-Y1384 HydrophobicContact CD1-CE1 4.33Å; L1258-Y1384 HydrophobicContact CD1-CE2 3.51Å; L1258-Y1384 HydrophobicContact CD1-CG 4.27Å; L1258-Y1384 HydrophobicContact CG-CE1 4.28Å; L1258-Y1384 HydrophobicContact CG-CE2 3.92Å; L1258-Y1384 PolarHBondContact N-OH 2.91Å
1259	D	61.3	Low	57	Low	59 Å²	59	68.8 Å²	68.8	32%	0.316	37%	0.369	S	S	.	.			trans	-85.6	50.1	-178.5	-158	-11.1	0	0	0	112.5	Q866 P867 K868 L869 K1261	Q866-D1259 PolarHBondContact NE2-OD1 2.56Å; P867-D1259 WeakPolarHBondContact O-CA 3.41Å; P867-D1259 WeakPolarHBondContact O-CB 3.48Å; P867-D1259 VanDerWaalsContact O-CG 3.31Å; K868-D1259 WeakPolarHBondContact CA-OD2 3.44Å; L869-D1259 PolarHBondContact N-OD2 3.42Å; D1259-K1261 PolarHBondContact O-N 3Å; D1259-K1261 VanDerWaalsContact O-N 3.11Å
1260	Y	51.6	Low	53.9	Low	162 Å²	162	71.7 Å²	71.7	64%	0.635	39%	0.394	S	S	*	.			trans	-74	99.5	171.4	-82.8	-62.5	0	0	0	110.4	Q866 T1257 L1258	Q866-Y1260 PolarHBondContact NE2-O 2.91Å; T1257-Y1260 WeakPolarHBondContact O-CD2 3.38Å; T1257-Y1260 WeakPolarHBondContact O-CE2 3.38Å; L1258-Y1260 PolarHBondContact O-N 3.07Å
1261	K	40.2	Very low	50.9	Low	169 Å²	169	77.1 Å²	77.1	74%	0.735	43%	0.428	S	S	*	.			trans	-52.2	141.8	156.8	-65.7	175.8	-175.4	170.9	0	109.2	D1259 S1263	D1259-K1261 PolarHBondContact O-N 3Å; D1259-K1261 VanDerWaalsContact O-N 3.11Å; K1261-S1263 PolarHBondContact O-N 3.16Å
1262	T	31.3	Very low	47.7	Very low	76 Å²	76	83.7 Å²	83.7	47%	0.466	47%	0.468	S	S	.	.	S	Bend	trans	-42.9	130.2	-177.2	45.3	0	0	0	0	112.8
1263	S	25.7	Very low	44.7	Very low	98 Å²	98	87.3 Å²	87.3	69%	0.685	49%	0.494	S	S	*	.			trans	-7.6	130.6	177.3	-49.7	0	0	0	0	117.5	K1261 T1265	K1261-S1263 PolarHBondContact O-N 3.16Å; S1263-T1265 PolarHBondContact O-N 3.48Å
1264	P	23.8	Very low	41.8	Very low	123 Å²	123	94.1 Å²	94.1	80%	0.799	53%	0.53	S	S	*	.			trans	-59.6	116	153	28.3	-31.5	0	0	0	107.8	I1266	P1264-I1266 PolarHBondContact O-N 3.13Å
1265	T	25.4	Very low	39.2	Very low	115 Å²	115	98.7 Å²	98.7	71%	0.706	56%	0.558	S	S	*	*			trans	-55.2	125.1	157.8	38.3	0	0	0	0	107.2	S1263 N1267	S1263-T1265 PolarHBondContact O-N 3.48Å; T1265-N1267 PolarHBondContact O-N 2.91Å
1266	I	26.9	Very low	36.7	Very low	143 Å²	143	102.9 Å²	102.9	73%	0.733	59%	0.587	S	S	*	*			trans	-67.1	102.3	172.4	-62.6	175.8	0	0	0	106.7	P1264 N1268	P1264-I1266 PolarHBondContact O-N 3.13Å; I1266-N1268 PolarHBondContact O-N 2.66Å
1267	N	25.3	Very low	34.6	Very low	64 Å²	64	104.1 Å²	104.1	34%	0.342	60%	0.597	S	S	.	*			trans	-64.5	98.2	169.8	-80.4	-8.6	0	0	0	108.2	F77 D79 T1265 N1269	F77-N1267 CarbonylContact O-C 3.58Å; F77-N1267 WeakPolarHBondContact O-CA 3.46Å; F77-N1267 VanDerWaalsContact O-CB 3.32Å; F77-N1267 WeakPolarHBondContact O-CB 3.49Å; D79-N1267 HydrophobicContact CB-CB 4.22Å; D79-N1267 VanDerWaalsContact CG-CB 3.49Å; D79-N1267 PolarHBondContact N-ND2 3.46Å; D79-N1267 WeakPolarHBondContact OD1-CB 3.46Å; D79-N1267 PolarHBondContact OD1-ND2 2.9Å; T1265-N1267 PolarHBondContact O-N 2.91Å; N1267-N1269 PolarHBondContact O-N 2.87Å
1268	N	25.1	Very low	33.1	Very low	105 Å²	105	107.5 Å²	107.5	56%	0.561	61%	0.613	S	S	*	*	S	Bend	trans	-72.5	72.8	174.8	-70.1	-49.4	0	0	0	111.2	S76 F77 I1266	S76-N1268 CarbonylContact C-O 3.49Å; S76-N1268 VanDerWaalsContact CA-O 3.31Å; S76-N1268 WeakPolarHBondContact CA-O 3.48Å; S76-N1268 WeakPolarHBondContact CB-O 3.23Å; F77-N1268 CarbonylContact C-O 3.59Å; F77-N1268 PolarHBondContact N-O 3.39Å; F77-N1268 CarbonylContact O-C 3.57Å; F77-N1268 PolarHBondContact O-N 3.03Å; I1266-N1268 PolarHBondContact O-N 2.66Å
1269	N	25.3	Very low	31.3	Very low	77 Å²	77	113.6 Å²	113.6	41%	0.412	65%	0.645	S	S	.	*			trans	-174.8	64.9	152.4	-83.4	-23.4	0	0	0	111.4	S76 F77 S78 N1267	S76-N1269 WeakPolarHBondContact CB-OD1 3.07Å; F77-N1269 PolarHBondContact O-N 3.45Å; S78-N1269 WeakPolarHBondContact OG-CB 3.34Å; S78-N1269 PolarHBondContact OG-ND2 2.91Å; S78-N1269 VanDerWaalsContact OG-ND2 3.16Å; N1267-N1269 PolarHBondContact O-N 2.87Å
1270	A	27.1	Very low	29.9	Very low	62 Å²	62	114.8 Å²	114.8	51%	0.512	65%	0.652	S	S	.	*	S	Bend	trans	-128.4	150.3	154	0	0	0	0	0	109.6	D79	D79-A1270 HydrophobicContact CB-CB 4.14Å; D79-A1270 VanDerWaalsContact OD2-CB 3.29Å; D79-A1270 WeakPolarHBondContact OD2-CB 3.4Å
1271	V	28.7	Very low	29.1	Very low	126 Å²	126	111.4 Å²	111.4	76%	0.764	65%	0.648	S	S	*	*			trans	60.4	56.7	176.7	-157.7	0	0	0	0	114.6	S1273	V1271-S1273 PolarHBondContact O-N 3.2Å
1272	T	25.5	Very low	29.1	Very low	138 Å²	138	111 Å²	111	85%	0.847	65%	0.646	S	S	*	*			trans	-71.7	75.9	148.5	45.6	0	0	0	0	110.4
1273	S	27.9	Very low	29.3	Very low	81 Å²	81	112.8 Å²	112.8	57%	0.566	65%	0.649	S	S	*	*			trans	-170.7	152.2	157.6	36.1	0	0	0	0	113.2	V1271	V1271-S1273 PolarHBondContact O-N 3.2Å
1274	N	29.4	Very low	29.8	Very low	143 Å²	143	111.9 Å²	111.9	77%	0.765	64%	0.637	S	S	*	*	S	Bend	trans	65.2	91.9	161.4	-59.1	-11.6	0	0	0	119.1
1275	T	30.4	Very low	30.7	Very low	124 Å²	124	112 Å²	112	76%	0.761	63%	0.627	S	S	*	*			trans	54	87.3	134	56.8	0	0	0	0	118.1
1276	S	27.1	Very low	31.6	Very low	102 Å²	102	111.8 Å²	111.8	71%	0.713	62%	0.621	S	S	*	*				79.5	91.8	73.4	73.9	0	0	0	0	116.2
1277	N	28.2	Very low	32.5	Very low	130 Å²	130	110.1 Å²	110.1	70%	0.695	61%	0.608	S	S	*	*			trans	-164.8	-35.4	139.1	-104	-30.3	0	0	0	114.2	N1279 N1280	N1277-N1279 VanDerWaalsContact C-N 3.34Å; N1277-N1279 PolarHBondContact O-N 2.52Å; N1277-N1280 PolarHBondContact O-N 3.46Å
1278	D	36.1	Very low	33.4	Very low	140 Å²	140	110 Å²	110	75%	0.749	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-5.3	-164.2	-66	-51.3	0	0	0	117.4	N1280 T1281	D1278-N1280 PolarHBondContact O-N 2.99Å; D1278-T1281 PolarHBondContact O-OG1 3.21Å; D1278-T1281 VanDerWaalsContact O-OG1 3.11Å
1279	N	34.9	Very low	34.4	Very low	148 Å²	148	106.5 Å²	106.5	79%	0.791	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-11.7	172.5	-83.4	-31.5	0	0	0	113.6	N1277	N1277-N1279 VanDerWaalsContact C-N 3.34Å; N1277-N1279 PolarHBondContact O-N 2.52Å
1280	N	31.4	Very low	35.6	Very low	84 Å²	84	107.4 Å²	107.4	45%	0.449	60%	0.598	S	S	.	*	H	α-helix	trans	-71.6	-31.2	179.2	-83.6	-44.8	0	0	0	113.7	N1277 D1278 N1284	N1277-N1280 PolarHBondContact O-N 3.46Å; D1278-N1280 PolarHBondContact O-N 2.99Å; N1280-N1284 WeakPolarHBondContact O-CB 3.33Å; N1280-N1284 PolarHBondContact O-N 3.1Å; N1280-N1284 PolarHBondContact O-ND2 3.42Å
1281	T	36.3	Very low	36.6	Very low	92 Å²	92	109.7 Å²	109.7	56%	0.564	60%	0.598	S	S	*	*	H	α-helix	trans	-64.4	-52.3	-174.2	37.3	0	0	0	0	112.6	D1278 Q1283 N1284 E1285	D1278-T1281 PolarHBondContact O-OG1 3.21Å; D1278-T1281 VanDerWaalsContact O-OG1 3.11Å; T1281-Q1283 PolarHBondContact O-N 2.79Å; T1281-N1284 CarbonylContact O-C 3.6Å; T1281-N1284 PolarHBondContact O-N 2.91Å; T1281-N1284 VanDerWaalsContact O-N 3.14Å; T1281-E1285 PolarHBondContact O-N 3.18Å
1282	K	39.7	Very low	37.4	Very low	159 Å²	159	105.1 Å²	105.1	69%	0.691	57%	0.574	S	S	*	*	H	α-helix	trans	-67.5	-32	179.3	-70.5	-177.5	178.2	176.3	0	113.7	I1286	K1282-I1286 PolarHBondContact O-N 2.84Å
1283	Q	35.7	Very low	38.4	Very low	114 Å²	114	101.3 Å²	101.3	53%	0.533	55%	0.551	S	S	.	*	H	α-helix	trans	-73.9	-31.2	171.6	-74	-163.9	-3.7	0	0	112.6	T1281 I1286 K1287	T1281-Q1283 PolarHBondContact O-N 2.79Å; Q1283-I1286 PolarHBondContact O-N 3.1Å; Q1283-K1287 WeakPolarHBondContact O-CB 3.32Å; Q1283-K1287 VanDerWaalsContact O-CG 3.3Å; Q1283-K1287 WeakPolarHBondContact O-CG 3.4Å; Q1283-K1287 PolarHBondContact O-N 3.23Å
1284	N	35.9	Very low	39.3	Very low	80 Å²	80	102.4 Å²	102.4	43%	0.428	55%	0.55	S	S	.	.	H	α-helix	trans	-74.2	-30	174.4	-72.5	-13.4	0	0	0	112.1	N1280 T1281 S1288	N1280-N1284 WeakPolarHBondContact O-CB 3.33Å; N1280-N1284 PolarHBondContact O-N 3.1Å; N1280-N1284 PolarHBondContact O-ND2 3.42Å; T1281-N1284 CarbonylContact O-C 3.6Å; T1281-N1284 PolarHBondContact O-N 2.91Å; T1281-N1284 VanDerWaalsContact O-N 3.14Å; N1284-S1288 WeakPolarHBondContact O-CB 3.2Å; N1284-S1288 PolarHBondContact O-N 2.86Å; N1284-S1288 PolarHBondContact O-OG 3.4Å; N1284-S1288 VanDerWaalsContact O-OG 3.07Å
1285	E	41.8	Very low	40.1	Very low	124 Å²	124	102 Å²	102	58%	0.579	54%	0.543	S	S	*	.	H	α-helix	trans	-57.8	-54.6	167.2	-74.5	-179	138.8	0	0	110.1	T1281 K1287 S1288 V1289	T1281-E1285 PolarHBondContact O-N 3.18Å; E1285-K1287 PolarHBondContact O-N 3.33Å; E1285-S1288 PolarHBondContact O-N 2.95Å; E1285-S1288 PolarHBondContact O-OG 2.51Å; E1285-V1289 WeakPolarHBondContact O-CG2 3.41Å; E1285-V1289 PolarHBondContact O-N 3.26Å
1286	I	45.7	Very low	40.8	Very low	112 Å²	112	102.2 Å²	102.2	57%	0.574	54%	0.539	S	S	*	.	H	α-helix	trans	-60.1	-44.6	178.5	-63.2	171.6	0	0	0	111.8	K1282 Q1283 S1288 V1289 I1290	K1282-I1286 PolarHBondContact O-N 2.84Å; Q1283-I1286 PolarHBondContact O-N 3.1Å; I1286-S1288 PolarHBondContact O-N 3.23Å; I1286-V1289 PolarHBondContact O-N 3.39Å; I1286-I1290 HydrophobicContact CG2-CD1 4.09Å; I1286-I1290 WeakPolarHBondContact O-CG1 3.47Å; I1286-I1290 PolarHBondContact O-N 3.05Å
1287	K	45.2	Very low	41.3	Very low	107 Å²	107	103.4 Å²	103.4	47%	0.465	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-37.6	176	-73.8	171.6	-178.6	169.9	0	112.8	Q1283 E1285 I1290 Q1291	Q1283-K1287 WeakPolarHBondContact O-CB 3.32Å; Q1283-K1287 VanDerWaalsContact O-CG 3.3Å; Q1283-K1287 WeakPolarHBondContact O-CG 3.4Å; Q1283-K1287 PolarHBondContact O-N 3.23Å; E1285-K1287 PolarHBondContact O-N 3.33Å; K1287-I1290 PolarHBondContact O-N 3.26Å; K1287-Q1291 WeakPolarHBondContact O-CB 3.09Å; K1287-Q1291 WeakPolarHBondContact O-CG 3.4Å; K1287-Q1291 PolarHBondContact O-N 2.86Å
1288	S	44.9	Very low	41.5	Very low	62 Å²	62	104 Å²	104	43%	0.434	54%	0.54	S	S	.	.	H	α-helix	trans	-70.8	-32	177.6	71.4	0	0	0	0	112.3	N1284 E1285 I1286 A1292	N1284-S1288 WeakPolarHBondContact O-CB 3.2Å; N1284-S1288 PolarHBondContact O-N 2.86Å; N1284-S1288 PolarHBondContact O-OG 3.4Å; N1284-S1288 VanDerWaalsContact O-OG 3.07Å; E1285-S1288 PolarHBondContact O-N 2.95Å; E1285-S1288 PolarHBondContact O-OG 2.51Å; I1286-S1288 PolarHBondContact O-N 3.23Å; S1288-A1292 VanDerWaalsContact O-CB 3.23Å; S1288-A1292 WeakPolarHBondContact O-CB 2.97Å; S1288-A1292 PolarHBondContact O-N 3.48Å
1289	V	44.8	Very low	41.4	Very low	32 Å²	32	105.6 Å²	105.6	19%	0.194	55%	0.548	C	S	.	.	H	α-helix	trans	-67.8	-40.5	170.6	172.5	0	0	0	0	110.9	L842 E1285 I1286 A1292 V1293	L842-V1289 HydrophobicContact CD1-CG1 4.29Å; L842-V1289 HydrophobicContact CD2-CG1 3.92Å; E1285-V1289 WeakPolarHBondContact O-CG2 3.41Å; E1285-V1289 PolarHBondContact O-N 3.26Å; I1286-V1289 PolarHBondContact O-N 3.39Å; V1289-A1292 PolarHBondContact O-N 2.94Å; V1289-V1293 WeakPolarHBondContact O-CG2 3.43Å; V1289-V1293 PolarHBondContact O-N 3.21Å; V1289-V1293 VanDerWaalsContact O-N 3.15Å
1290	I	51.6	Low	41.2	Very low	95 Å²	95	102.5 Å²	102.5	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-49.3	173.6	-66.7	164.8	0	0	0	110.5	I1286 K1287 A1292 V1293 D1294	I1286-I1290 HydrophobicContact CG2-CD1 4.09Å; I1286-I1290 WeakPolarHBondContact O-CG1 3.47Å; I1286-I1290 PolarHBondContact O-N 3.05Å; K1287-I1290 PolarHBondContact O-N 3.26Å; I1290-A1292 VanDerWaalsContact C-N 3.25Å; I1290-A1292 PolarHBondContact O-N 3.21Å; I1290-V1293 WeakPolarHBondContact O-CB 3.4Å; I1290-V1293 PolarHBondContact O-N 3.48Å; I1290-D1294 PolarHBondContact O-N 3.17Å
1291	Q	46.9	Very low	41.2	Very low	110 Å²	110	105.9 Å²	105.9	51%	0.514	57%	0.57	S	S	.	*	H	α-helix	trans	-61	-32.2	175.6	-75.2	-176.8	-48.7	0	0	112.8	K1287 V1293 D1294 H1295	K1287-Q1291 WeakPolarHBondContact O-CB 3.09Å; K1287-Q1291 WeakPolarHBondContact O-CG 3.4Å; K1287-Q1291 PolarHBondContact O-N 2.86Å; Q1291-V1293 VanDerWaalsContact C-N 3.32Å; Q1291-D1294 PolarHBondContact O-N 3Å; Q1291-H1295 VanDerWaalsContact O-CB 3.28Å; Q1291-H1295 WeakPolarHBondContact O-CB 3.27Å; Q1291-H1295 PolarHBondContact O-CD2 3.38Å; Q1291-H1295 PolarHBondContact O-N 2.8Å
1292	A	47.2	Very low	41.1	Very low	31 Å²	31	109.8 Å²	109.8	26%	0.256	58%	0.581	S	S	.	*	H	α-helix	trans	-69.4	-28	174.4	0	0	0	0	0	112.9	S1288 V1289 I1290 L1296	S1288-A1292 VanDerWaalsContact O-CB 3.23Å; S1288-A1292 WeakPolarHBondContact O-CB 2.97Å; S1288-A1292 PolarHBondContact O-N 3.48Å; V1289-A1292 PolarHBondContact O-N 2.94Å; I1290-A1292 VanDerWaalsContact C-N 3.25Å; I1290-A1292 PolarHBondContact O-N 3.21Å; A1292-L1296 WeakPolarHBondContact O-CD1 3.38Å; A1292-L1296 WeakPolarHBondContact O-CG 3.43Å
1293	V	45.1	Very low	40.6	Very low	58 Å²	58	109.7 Å²	109.7	35%	0.352	58%	0.583	S	S	.	*	H	α-helix	trans	-74.7	-40.8	171.4	171.6	0	0	0	0	110.9	M839 V1289 I1290 Q1291 N1297	M839-V1293 HydrophobicContact CG-CG2 4.36Å; V1289-V1293 WeakPolarHBondContact O-CG2 3.43Å; V1289-V1293 PolarHBondContact O-N 3.21Å; V1289-V1293 VanDerWaalsContact O-N 3.15Å; I1290-V1293 WeakPolarHBondContact O-CB 3.4Å; I1290-V1293 PolarHBondContact O-N 3.48Å; Q1291-V1293 VanDerWaalsContact C-N 3.32Å; V1293-N1297 PolarHBondContact O-ND2 2.7Å
1294	D	46.4	Very low	40.3	Very low	103 Å²	103	110.6 Å²	110.6	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-67	-45.5	176.7	-67.4	-31.9	0	0	0	111.9	I1290 Q1291 L1296 N1297	I1290-D1294 PolarHBondContact O-N 3.17Å; Q1291-D1294 PolarHBondContact O-N 3Å; D1294-L1296 PolarHBondContact O-N 3.05Å; D1294-L1296 VanDerWaalsContact O-N 3.17Å; D1294-N1297 PolarHBondContact O-N 3.19Å; D1294-N1297 VanDerWaalsContact O-N 3.11Å
1295	H	46.2	Very low	39.9	Very low	135 Å²	135	113.5 Å²	113.5	63%	0.625	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-7.2	-177.5	-76.1	-53.1	0	0	0	115.3	Q1291	Q1291-H1295 VanDerWaalsContact O-CB 3.28Å; Q1291-H1295 WeakPolarHBondContact O-CB 3.27Å; Q1291-H1295 PolarHBondContact O-CD2 3.38Å; Q1291-H1295 PolarHBondContact O-N 2.8Å
1296	L	45.1	Very low	39.4	Very low	129 Å²	129	115.1 Å²	115.1	68%	0.675	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-1.2	171.8	-72.1	172.5	0	0	0	113.3	A1292 D1294	A1292-L1296 WeakPolarHBondContact O-CD1 3.38Å; A1292-L1296 WeakPolarHBondContact O-CG 3.43Å; D1294-L1296 PolarHBondContact O-N 3.05Å; D1294-L1296 VanDerWaalsContact O-N 3.17Å
1297	N	38.4	Very low	38.6	Very low	127 Å²	127	114.4 Å²	114.4	68%	0.679	63%	0.63	S	S	*	*			trans	-109	73.6	175.4	-70.6	-69.3	0	0	0	111.5	V1293 D1294	V1293-N1297 PolarHBondContact O-ND2 2.7Å; D1294-N1297 PolarHBondContact O-N 3.19Å; D1294-N1297 VanDerWaalsContact O-N 3.11Å
1298	L	33.2	Very low	37.9	Very low	143 Å²	143	116.1 Å²	116.1	75%	0.749	64%	0.643	S	S	*	*			trans	-137.6	104.2	175.5	-77.2	173.4	0	0	0	112.2
1299	D	32.9	Very low	37.3	Very low	172 Å²	172	120.2 Å²	120.2	92%	0.92	66%	0.658	S	S	*	*			trans	-75.5	133	166.1	-74.4	-50.6	0	0	0	110.8
1300	G	31.8	Very low	36.7	Very low	83 Å²	83	125.7 Å²	125.7	86%	0.856	69%	0.687	S	S	*	*			trans	-102.2	104.6	-177.3	0	0	0	0	0	113.9
1301	N	30.4	Very low	36.1	Very low	156 Å²	156	125.9 Å²	125.9	83%	0.834	69%	0.694	S	S	*	*			trans	-83	143.9	167.1	-85.9	-43.7	0	0	0	111.6
1302	H	34.1	Very low	35.5	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.806	71%	0.707	S	S	*	*			trans	-153.5	134.9	145	-100.4	-70.6	0	0	0	112.9
1303	Q	28.7	Very low	34.9	Very low	156 Å²	156	133.1 Å²	133.1	73%	0.729	73%	0.726	S	S	*	*			trans	-20.8	149	168.9	-64	131.8	-34.3	0	0	117.5
1304	T	31.2	Very low	34.2	Very low	133 Å²	133	136 Å²	136	82%	0.816	75%	0.747	S	S	*	*				-155.2	165.2	60	40.4	0	0	0	0	116
1305	N	27.4	Very low	33.5	Very low	141 Å²	141	138.5 Å²	138.5	75%	0.754	76%	0.755	S	S	*	*			trans	-29.4	145.2	174.1	-44.4	-5	0	0	0	116.3
1306	D	31.1	Very low	32.8	Very low	159 Å²	159	137.1 Å²	137.1	85%	0.85	76%	0.757	S	S	*	*				-153.5	174.3	66.7	-103.4	-28	0	0	0	116.4
1307	S	28.3	Very low	32.3	Very low	97 Å²	97	137.4 Å²	137.4	68%	0.678	75%	0.754	S	S	*	*			trans	-80.4	160.9	-169.4	64.2	0	0	0	0	116.2
1308	L	31.1	Very low	32.1	Very low	143 Å²	143	138.1 Å²	138.1	75%	0.749	75%	0.751	S	S	*	*				176.3	157	69.8	-156.7	74.8	0	0	0	111.4
1309	I	31.2	Very low	31.9	Very low	147 Å²	147	137 Å²	137	75%	0.754	75%	0.746	S	S	*	*			trans	66.2	107	165.8	-43.3	-175.9	0	0	0	116.4
1310	D	32.2	Very low	31.9	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	74%	0.742	S	S	*	*			cis	82	147.3	21.8	-127.2	41.7	0	0	0	115.6
1311	P	40	Very low	32	Very low	100 Å²	100	139.8 Å²	139.8	65%	0.649	74%	0.739	S	S	*	*			cis	-139.9	-140.8	-43.3	38.4	-17.5	0	0	0	114.3
1312	E	34.3	Very low	32.4	Very low	165 Å²	165	137.2 Å²	137.2	77%	0.771	73%	0.732	S	S	*	*			trans	88.1	141.9	165.7	-57.8	-151.6	139.7	0	0	119.4
1313	I	33.3	Very low	32.3	Very low	128 Å²	128	133.7 Å²	133.7	66%	0.656	73%	0.726	S	S	*	*			cis	-155.2	146.2	5.5	-127.7	167.4	0	0	0	115
1314	C	31.9	Very low	32.2	Very low	118 Å²	118	133.3 Å²	133.3	80%	0.797	73%	0.728	S	S	*	*			trans	44.4	168	153.4	-63.2	0	0	0	0	126.7
1315	E	30	Very low	32.3	Very low	156 Å²	156	133.8 Å²	133.8	73%	0.729	72%	0.721	S	S	*	*				-173.9	-178.5	-51.5	-138.4	-145.8	-152.4	0	0	113.9
1316	T	32.7	Very low	32.5	Very low	106 Å²	106	134.2 Å²	134.2	65%	0.65	72%	0.719	S	S	*	*			trans	71.9	148.5	169.6	71.8	0	0	0	0	118.6
1317	H	34.8	Very low	32.6	Very low	134 Å²	134	131.7 Å²	131.7	62%	0.62	71%	0.706	S	S	*	*			cis	-172.5	176.9	0.3	-108.5	13.6	0	0	0	108.7
1318	K	33	Very low	32.8	Very low	142 Å²	142	134.1 Å²	134.1	62%	0.617	71%	0.706	S	S	*	*			cis	-149.6	-136.7	-13	-125.8	168.9	-173.7	151.3	0	112.6	R59	R59-K1318 PolarHBondContact NH2-O 3.05Å
1319	N	30.7	Very low	32.6	Very low	121 Å²	121	133.2 Å²	133.2	65%	0.647	70%	0.702	S	S	*	*			trans	-133.4	-177.4	-150.8	-54.8	-9.2	0	0	0	117.3	R59	R59-N1319 PolarHBondContact NH2-OD1 3.28Å
1320	L	32.1	Very low	32.4	Very low	160 Å²	160	134 Å²	134	84%	0.838	70%	0.702	S	S	*	*			trans	105.8	150.8	164.3	-58.3	171.1	0	0	0	119.3
1321	L	34.2	Very low	32.3	Very low	152 Å²	152	132.6 Å²	132.6	80%	0.796	69%	0.694	S	S	*	*				-157.9	-174.7	-63.4	-122.8	74.6	0	0	0	111.2
1322	P	39	Very low	31.7	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	70%	0.702	S	S	*	*			trans	-141.5	-142.7	-139.8	45.2	-20	0	0	0	117
1323	S	30.3	Very low	31.5	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	70%	0.7	S	S	*	*			trans	71.2	157.6	159.7	32.7	0	0	0	0	119
1324	L	28.1	Very low	31.2	Very low	147 Å²	147	135 Å²	135	77%	0.77	71%	0.71	S	S	*	*			cis	-153.8	-175.8	-20.3	-109.9	159.9	0	0	0	106.3
1325	E	32.1	Very low	31.2	Very low	143 Å²	143	134 Å²	134	67%	0.668	71%	0.705	S	S	*	*				171.4	155	52.2	-138.2	140.9	-126.1	0	0	110.2
1326	Q	32.7	Very low	31.4	Very low	151 Å²	151	131.7 Å²	131.7	71%	0.706	71%	0.706	S	S	*	*			trans	43.8	158.9	140.4	-66.7	-174	-70.8	0	0	124.1
1327	D	32.4	Very low	31.3	Very low	106 Å²	106	131.4 Å²	131.4	57%	0.567	71%	0.708	S	S	*	*			cis	-168.6	168.3	-15.9	-104.6	-5.7	0	0	0	113.1
1328	H	33.8	Very low	31.1	Very low	148 Å²	148	135.2 Å²	135.2	69%	0.685	72%	0.719	S	S	*	*			trans	36.9	159	142.2	-67.5	-47.1	0	0	0	123.8
1329	N	25.9	Very low	30.8	Very low	123 Å²	123	133.1 Å²	133.1	66%	0.658	72%	0.722	S	S	*	*			cis	-171.1	175.5	-22.8	-113.7	9.8	0	0	0	109.1
1330	E	27.6	Very low	30.9	Very low	164 Å²	164	132.5 Å²	132.5	77%	0.766	73%	0.727	S	S	*	*			trans	69.1	160.9	153	-78	178.8	-175.7	0	0	119
1331	L	29.5	Very low	30.6	Very low	117 Å²	117	131.8 Å²	131.8	61%	0.613	72%	0.724	S	S	*	*			cis	-158.2	137.4	1.2	-120.2	165.4	0	0	0	113.2
1332	Q	26.5	Very low	30.4	Very low	174 Å²	174	132.2 Å²	132.2	81%	0.813	72%	0.724	S	S	*	*			trans	57.4	166	143.1	-89.8	174.6	34.7	0	0	127.2
1333	S	30.3	Very low	30	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	73%	0.726	S	S	*	*			trans	80.5	112.5	170.6	73.1	0	0	0	0	116.8
1334	N	28.5	Very low	29.8	Very low	165 Å²	165	134 Å²	134	88%	0.882	73%	0.729	S	S	*	*				83.5	137.5	71.2	-74.4	-13.8	0	0	0	112.7
1335	S	32	Very low	30.3	Very low	97 Å²	97	131.9 Å²	131.9	68%	0.678	72%	0.724	S	S	*	*			cis	-159.9	161.5	13.3	48.5	0	0	0	0	114.1
1336	S	32.3	Very low	30	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	74%	0.735	S	S	*	*			trans	59.7	139.3	148	56.5	0	0	0	0	120.4
1337	S	32	Very low	29.7	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	74%	0.737	S	S	*	*			cis	-172.1	-177.4	-4.9	61.1	0	0	0	0	108.8
1338	Y	29.1	Very low	29.4	Very low	215 Å²	215	130.8 Å²	130.8	84%	0.843	75%	0.748	S	S	*	*			cis	-144.6	-105.9	4.8	-141.3	-45.9	0	0	0	113.1
1339	S	27.9	Very low	29	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	76%	0.755	S	S	*	*			trans	-165	-176.7	-168.5	62.5	0	0	0	0	110.2
1340	S	31.6	Very low	29.1	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	77%	0.765	S	S	*	*			cis	-159.7	168.3	17	46.7	0	0	0	0	113.6
1341	N	27.3	Very low	28.9	Very low	146 Å²	146	134.3 Å²	134.3	78%	0.781	77%	0.766	S	S	*	*			trans	-68.1	165.2	177.8	-52.5	-45.9	0	0	0	115.1
1342	M	30	Very low	28.8	Very low	161 Å²	161	134.3 Å²	134.3	79%	0.793	77%	0.772	S	S	*	*				178.8	124.8	113.2	-91	-56.5	175.1	0	0	115.4
1343	N	30.5	Very low	28.8	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	77%	0.768	S	S	*	*			trans	24.2	115.2	142.5	-58	-7.9	0	0	0	123.5
1344	S	26.1	Very low	28.7	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	77%	0.767	S	S	*	*				48.7	163.5	120.8	74.5	0	0	0	0	123.7
1345	P	37.4	Very low	28.6	Very low	102 Å²	102	130.5 Å²	130.5	66%	0.662	76%	0.762	S	S	*	*			cis	-137.4	-178.4	-45.8	38.7	-21.2	0	0	0	114.1
1346	T	27.5	Very low	28.5	Very low	148 Å²	148	132.5 Å²	132.5	91%	0.908	76%	0.762	S	S	*	*			trans	72.2	149.3	170.2	74.5	0	0	0	0	118.1
1347	G	26.4	Very low	28.3	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	75%	0.753	S	S	*	*			trans	127.8	79.4	166.1	0	0	0	0	0	118.3
1348	I	26.1	Very low	28.1	Very low	156 Å²	156	133 Å²	133	80%	0.8	75%	0.749	S	S	*	*			trans	31.8	112.9	147.5	-56.2	177.7	0	0	0	120.1
1349	K	24.6	Very low	28	Very low	191 Å²	191	127.3 Å²	127.3	83%	0.83	74%	0.736	S	S	*	*			trans	24.5	117.5	137.7	-53.1	175.8	-180	179.7	0	119.9
1350	I	27.2	Very low	28	Very low	171 Å²	171	133.5 Å²	133.5	88%	0.877	75%	0.746	S	S	*	*			trans	-170.6	158.5	131.2	-100.4	154.1	0	0	0	109.4
1351	L	24.8	Very low	27.9	Very low	148 Å²	148	133.5 Å²	133.5	78%	0.775	75%	0.746	S	S	*	*			trans	-97.7	145.9	-170.5	-61.5	111.8	0	0	0	115	L1353	L1351-L1353 HydrophobicContact CB-CD1 3.95Å
1352	P	27	Very low	27.8	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	74%	0.742	S	S	*	*			trans	-124	137.8	135.4	34.9	-24.6	0	0	0	110.2
1353	L	26.7	Very low	27.8	Very low	137 Å²	137	127.8 Å²	127.8	72%	0.717	73%	0.734	S	S	*	*			cis	64.8	126.8	35.3	-63.5	116.8	0	0	0	113.4	L1351	L1351-L1353 HydrophobicContact CB-CD1 3.95Å
1354	T	26.9	Very low	27.7	Very low	116 Å²	116	129.8 Å²	129.8	71%	0.712	74%	0.742	S	S	*	*			cis	-167.1	155	-1.6	2	0	0	0	0	112.9
1355	S	27	Very low	28	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	74%	0.737	S	S	*	*			trans	70.7	151.5	161.3	83.5	0	0	0	0	117.2
1356	M	29.6	Very low	27.4	Very low	140 Å²	140	130.4 Å²	130.4	69%	0.69	75%	0.745	S	S	*	*			cis	-130.4	163.5	5.5	-81.7	-171.3	167.7	0	0	113.7
1357	N	28	Very low	27.4	Very low	105 Å²	105	128.1 Å²	128.1	56%	0.561	74%	0.735	S	S	*	*			trans	-32.1	161.2	167.1	-65.3	5.9	0	0	0	117.5	S372	S372-N1357 PolarHBondContact N-ND2 2.74Å; S372-N1357 PolarHBondContact O-ND2 3.17Å; S372-N1357 PolarHBondContact OG-ND2 3.48Å
1358	N	28.6	Very low	27.4	Very low	113 Å²	113	131.9 Å²	131.9	60%	0.604	74%	0.737	S	S	*	*			cis	-147.8	160	33.3	-131	-9.6	0	0	0	115.5	G373	G373-N1358 PolarHBondContact O-ND2 3.22Å
1359	T	26.7	Very low	27.4	Very low	96 Å²	96	133.1 Å²	133.1	59%	0.589	75%	0.745	S	S	*	*			trans	-80.7	159.1	-178.7	39.6	0	0	0	0	112.9
1360	Y	28.9	Very low	27.7	Very low	227 Å²	227	127.4 Å²	127.4	89%	0.89	73%	0.73	S	S	*	*				-143.4	165.2	62.1	-90.5	-90.7	0	0	0	115.7
1361	S	27.9	Very low	27.9	Very low	107 Å²	107	125.7 Å²	125.7	75%	0.748	73%	0.727	S	S	*	*			trans	-95.8	145.2	-147.6	-44.5	0	0	0	0	116.5
1362	S	26.9	Very low	28	Very low	100 Å²	100	126 Å²	126	70%	0.699	73%	0.73	S	S	*	*			trans	-101.6	164.3	157.5	62.7	0	0	0	0	111.7
1363	S	28.2	Very low	28.2	Very low	88 Å²	88	128 Å²	128	62%	0.615	73%	0.734	S	S	*	*			trans	44.7	104.9	144.4	63.4	0	0	0	0	120.5
1364	I	29.2	Very low	28.2	Very low	174 Å²	174	129.2 Å²	129.2	89%	0.892	74%	0.741	S	S	*	*			trans	-122.6	100.2	136.1	-62.6	-178.8	0	0	0	105.2
1365	V	31.7	Very low	28.4	Very low	105 Å²	105	131 Å²	131	64%	0.636	75%	0.746	S	S	*	*				79	118.8	60.8	179.2	0	0	0	0	112.4	S1367	V1365-S1367 PolarHBondContact O-N 3.15Å
1366	S	26.3	Very low	28.5	Very low	119 Å²	119	133.7 Å²	133.7	83%	0.832	75%	0.751	S	S	*	*	S	Bend	trans	-77.2	101.9	-178.8	51.5	0	0	0	0	113
1367	S	26.4	Very low	28.9	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	76%	0.757	S	S	*	*			trans	-167.8	98.6	155.7	56.2	0	0	0	0	112.6	V1365	V1365-S1367 PolarHBondContact O-N 3.15Å
1368	L	27.4	Very low	29.7	Very low	151 Å²	151	133 Å²	133	79%	0.791	75%	0.749	S	S	*	*			trans	-165.5	67.7	159.1	-110.7	166.9	0	0	0	111.7	S1370	L1368-S1370 VanDerWaalsContact C-N 3.29Å; L1368-S1370 VanDerWaalsContact CD2-OG 3.23Å; L1368-S1370 WeakPolarHBondContact CD2-OG 3.08Å; L1368-S1370 PolarHBondContact O-N 2.73Å
1369	N	26.3	Very low	31.2	Very low	182 Å²	182	133.8 Å²	133.8	97%	0.973	75%	0.749	S	S	*	*			trans	-77	80.5	166.2	-96.6	-3.9	0	0	0	109.6
1370	S	30.8	Very low	33.4	Very low	72 Å²	72	132.5 Å²	132.5	50%	0.503	74%	0.741	S	S	.	*			trans	-153.2	107.8	169.9	59.9	0	0	0	0	112.8	L1368	L1368-S1370 VanDerWaalsContact C-N 3.29Å; L1368-S1370 VanDerWaalsContact CD2-OG 3.23Å; L1368-S1370 WeakPolarHBondContact CD2-OG 3.08Å; L1368-S1370 PolarHBondContact O-N 2.73Å
1371	T	30.2	Very low	35.9	Very low	134 Å²	134	122.3 Å²	122.3	82%	0.822	70%	0.702	S	S	*	*			trans	46	112.9	147.1	55.1	0	0	0	0	119.7
1372	N	27.4	Very low	38.7	Very low	155 Å²	155	117.5 Å²	117.5	83%	0.829	67%	0.668	S	S	*	*			trans	-7.9	122.5	155.7	-52.7	-0.6	0	0	0	117.3
1373	N	30.2	Very low	41.7	Very low	158 Å²	158	112.8 Å²	112.8	85%	0.845	64%	0.635	S	S	*	*			trans	-165.2	157.2	133.1	-95.3	-26.2	0	0	0	109.2	L1375	N1373-L1375 PolarHBondContact O-N 3.27Å
1374	D	28.6	Very low	44.6	Very low	162 Å²	162	108.7 Å²	108.7	87%	0.866	61%	0.606	S	S	*	*			trans	-65	129.4	-172.5	-60.7	-76	0	0	0	113.4
1375	L	30.2	Very low	47.4	Very low	154 Å²	154	102.3 Å²	102.3	81%	0.806	57%	0.572	S	S	*	*			trans	-137.2	94.5	171	-97.9	165.3	0	0	0	109.4	N1373 Q1377	N1373-L1375 PolarHBondContact O-N 3.27Å; L1375-Q1377 VanDerWaalsContact C-N 3.31Å; L1375-Q1377 PolarHBondContact O-N 2.64Å
1376	N	29.5	Very low	50.1	Low	166 Å²	166	97.3 Å²	97.3	89%	0.888	54%	0.541	S	S	*	.			trans	-64.2	92.9	164.7	-82.9	-17.9	0	0	0	109	S1378	N1376-S1378 PolarHBondContact O-N 2.83Å
1377	Q	37.1	Very low	52.7	Low	175 Å²	175	93 Å²	93	82%	0.818	51%	0.511	S	S	*	.			trans	-67.4	98.8	163.7	-73.9	-171.8	-13.4	0	0	108.2	L1375 Q1379	L1375-Q1377 VanDerWaalsContact C-N 3.31Å; L1375-Q1377 PolarHBondContact O-N 2.64Å; Q1377-Q1379 PolarHBondContact O-N 3Å
1378	S	45.7	Very low	54.9	Low	56 Å²	56	90.6 Å²	90.6	39%	0.392	49%	0.489	S	S	.	.			trans	-55.1	109.4	174.8	55.3	0	0	0	0	110.1	Q875 N1376 T1380	Q875-S1378 WeakPolarHBondContact CG-OG 3.49Å; Q875-S1378 PolarHBondContact NE2-OG 3.18Å; Q875-S1378 VanDerWaalsContact NE2-OG 3.16Å; N1376-S1378 PolarHBondContact O-N 2.83Å; S1378-T1380 PolarHBondContact O-N 2.86Å
1379	Q	59.9	Low	56.4	Low	130 Å²	130	89.2 Å²	89.2	61%	0.607	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-69.5	131.3	-178.5	-61.5	-173.5	10.2	0	0	109.6	T1254 Q1377	T1254-Q1379 HydrophobicContact CG2-CB 3.96Å; Q1377-Q1379 PolarHBondContact O-N 3Å
1380	T	71.9	Confident	57.1	Low	68 Å²	68	83.8 Å²	83.8	42%	0.417	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-81.6	128.3	176.4	47.2	0	0	0	0	109.9	S1378 F1382	S1378-T1380 PolarHBondContact O-N 2.86Å; T1380-F1382 WeakPolarHBondContact O-CD2 3.41Å; T1380-F1382 VanDerWaalsContact O-CE2 3.31Å; T1380-F1382 WeakPolarHBondContact O-CE2 3.3Å
1381	N	82.2	Confident	57.2	Low	14 Å²	14	84.5 Å²	84.5	8%	0.075	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144	178.8	-76.9	-48.9	0	0	0	110.9	C873 S876 I878 T1254	C873-N1381 VanDerWaalsContact CA-O 3.31Å; C873-N1381 WeakPolarHBondContact CA-O 3.37Å; C873-N1381 HydrophobicContact CB-CB 4.16Å; C873-N1381 VanDerWaalsContact CB-O 3.23Å; C873-N1381 WeakPolarHBondContact CB-O 3.43Å; C873-N1381 PolarHBondContact N-O 3.23Å; C873-N1381 PolarHBondContact O-N 3.14Å; S876-N1381 PolarHBondContact O-ND2 3.35Å; I878-N1381 HydrophobicContact CD1-CB 4.3Å; T1254-N1381 WeakPolarHBondContact CG2-OD1 3.39Å
1382	F	86.6	Confident	57.2	Low	6 Å²	6	82.9 Å²	82.9	3%	0.026	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.7	-178.1	-61.5	-86	0	0	0	109.2	L869 K872 T1252 S1253 E1256 T1380 Y1384	L869-F1382 HydrophobicContact CD1-CB 3.84Å; L869-F1382 HydrophobicContact CD1-CD1 3.97Å; L869-F1382 HydrophobicContact CD1-CG 4.37Å; K872-F1382 HydrophobicContact CB-CD1 4.32Å; K872-F1382 HydrophobicContact CB-CE1 4.26Å; K872-F1382 HydrophobicContact CD-CD1 4.46Å; K872-F1382 HydrophobicContact CD-CE1 3.94Å; K872-F1382 HydrophobicContact CG-CD1 3.9Å; K872-F1382 HydrophobicContact CG-CE1 3.85Å; T1252-F1382 VanDerWaalsContact CA-O 3.3Å; T1252-F1382 WeakPolarHBondContact CA-O 3.11Å; S1253-F1382 PolarHBondContact N-O 3.33Å; S1253-F1382 WeakPolarHBondContact O-CB 3.46Å; S1253-F1382 WeakPolarHBondContact O-CD2 3.45Å; S1253-F1382 PolarHBondContact O-N 3.46Å; E1256-F1382 HydrophobicContact CB-CD2 4.42Å; E1256-F1382 HydrophobicContact CB-CE1 3.92Å; E1256-F1382 HydrophobicContact CB-CE2 3.7Å; E1256-F1382 HydrophobicContact CB-CZ 3.42Å; E1256-F1382 VanDerWaalsContact CB-CZ 3.42Å; E1256-F1382 HydrophobicContact CG-CD1 4.48Å; E1256-F1382 HydrophobicContact CG-CE1 3.67Å; E1256-F1382 HydrophobicContact CG-CE2 4.38Å; E1256-F1382 HydrophobicContact CG-CZ 3.63Å; T1380-F1382 WeakPolarHBondContact O-CD2 3.41Å; T1380-F1382 VanDerWaalsContact O-CE2 3.31Å; T1380-F1382 WeakPolarHBondContact O-CE2 3.3Å; F1382-Y1384 HydrophobicContact CB-CD2 4.06Å; F1382-Y1384 HydrophobicContact CB-CE2 3.43Å; F1382-Y1384 VanDerWaalsContact CB-CE2 3.43Å; F1382-Y1384 HydrophobicContact CG-CE2 4.42Å
1383	I	89	Confident	57.4	Low	1 Å²	1	84.4 Å²	84.4	1%	0.005	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.5	176.1	-60.7	179.6	0	0	0	108.4	I870 Y871 I878 L888 V890 F899 I1243	I870-I1383 HydrophobicContact CB-CG2 4.36Å; I870-I1383 HydrophobicContact CD1-CG2 4.4Å; I870-I1383 PolarHBondContact N-O 3.12Å; Y871-I1383 PolarHBondContact N-O 2.85Å; Y871-I1383 PolarHBondContact O-N 3.16Å; I878-I1383 HydrophobicContact CD1-CD1 3.84Å; I878-I1383 HydrophobicContact CD1-CG1 3.59Å; L888-I1383 HydrophobicContact CD2-CG2 3.86Å; V890-I1383 HydrophobicContact CG2-CD1 4.26Å; F899-I1383 HydrophobicContact CE1-CD1 4.46Å; F899-I1383 HydrophobicContact CZ-CD1 4.39Å; I1243-I1383 HydrophobicContact CD1-CG2 3.94Å
1384	Y	90.3	Very high	57.4	Low	1 Å²	1	85.2 Å²	85.2	0%	0.004	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	154.2	-178	-72.5	-77.7	0	0	0	112.1	P867 K868 L869 Y1250 F1251 S1255 E1256 L1258 F1382	P867-Y1384 HydrophobicContact CB-CD1 3.65Å; P867-Y1384 HydrophobicContact CB-CE1 4.38Å; P867-Y1384 HydrophobicContact CB-CG 4.02Å; K868-Y1384 CarbonylContact O-C 3.55Å; K868-Y1384 WeakPolarHBondContact O-CA 3.34Å; L869-Y1384 HydrophobicContact CB-CD1 4.17Å; L869-Y1384 HydrophobicContact CB-CE1 3.87Å; L869-Y1384 HydrophobicContact CD1-CD1 4.19Å; L869-Y1384 HydrophobicContact CD1-CE1 3.82Å; L869-Y1384 HydrophobicContact CD1-CE2 4.45Å; L869-Y1384 HydrophobicContact CG-CE1 4.44Å; Y1250-Y1384 WeakPolarHBondContact CA-O 3.01Å; F1251-Y1384 VanDerWaalsContact CE1-CB 3.46Å; F1251-Y1384 HydrophobicContact CE1-CG 4.42Å; F1251-Y1384 HydrophobicContact CE2-CD2 4.06Å; F1251-Y1384 HydrophobicContact CE2-CG 4.28Å; F1251-Y1384 VanDerWaalsContact CZ-CB 3.49Å; F1251-Y1384 HydrophobicContact CZ-CD2 4.21Å; F1251-Y1384 AromaticContact CZ-CG 3.99Å; F1251-Y1384 HydrophobicContact CZ-CG 3.99Å; F1251-Y1384 PolarHBondContact N-O 3.45Å; F1251-Y1384 PolarHBondContact O-N 3.32Å; S1255-Y1384 WeakPolarHBondContact O-CE2 3.32Å; S1255-Y1384 PolarHBondContact O-OH 2.99Å; E1256-Y1384 PolarHBondContact O-OH 3.15Å; E1256-Y1384 VanDerWaalsContact O-OH 3.08Å; L1258-Y1384 HydrophobicContact CB-CD1 4.33Å; L1258-Y1384 HydrophobicContact CB-CE1 3.72Å; L1258-Y1384 HydrophobicContact CB-CE2 4.28Å; L1258-Y1384 HydrophobicContact CD1-CD2 3.79Å; L1258-Y1384 HydrophobicContact CD1-CE1 4.33Å; L1258-Y1384 HydrophobicContact CD1-CE2 3.51Å; L1258-Y1384 HydrophobicContact CD1-CG 4.27Å; L1258-Y1384 HydrophobicContact CG-CE1 4.28Å; L1258-Y1384 HydrophobicContact CG-CE2 3.92Å; L1258-Y1384 PolarHBondContact N-OH 2.91Å; F1382-Y1384 HydrophobicContact CB-CD2 4.06Å; F1382-Y1384 HydrophobicContact CB-CE2 3.43Å; F1382-Y1384 VanDerWaalsContact CB-CE2 3.43Å; F1382-Y1384 HydrophobicContact CG-CE2 4.42Å
1385	K	88.6	Confident	57.5	Low	40 Å²	40	83.2 Å²	83.2	17%	0.174	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.8	174.9	162.5	171.9	178.6	145.9	0	111.5	K868 I870 D1248 I1249 Y1250 P1387	K868-K1385 PolarHBondContact N-O 2.95Å; K868-K1385 PolarHBondContact O-N 3.45Å; I870-K1385 HydrophobicContact CD1-CB 3.41Å; I870-K1385 VanDerWaalsContact CD1-CB 3.41Å; I870-K1385 HydrophobicContact CD1-CD 3.99Å; I870-K1385 HydrophobicContact CD1-CG 4.35Å; I870-K1385 HydrophobicContact CG1-CB 4.01Å; D1248-K1385 HydrophobicContact CB-CD 4.29Å; D1248-K1385 HydrophobicContact CB-CG 4.23Å; D1248-K1385 WeakPolarHBondContact OD2-CE 3.07Å; D1248-K1385 IonicContact OD2-NZ 2.69Å; D1248-K1385 PolarHBondContact OD2-NZ 3.35Å; I1249-K1385 CarbonylContact O-C 3.21Å; I1249-K1385 VanDerWaalsContact O-CA 3.28Å; I1249-K1385 WeakPolarHBondContact O-CA 3.39Å; Y1250-K1385 HydrophobicContact CD1-CB 4.16Å; Y1250-K1385 HydrophobicContact CD1-CD 4.41Å; Y1250-K1385 HydrophobicContact CE1-CB 4.27Å; Y1250-K1385 HydrophobicContact CE1-CD 3.71Å; Y1250-K1385 HydrophobicContact CE1-CG 4.34Å; Y1250-K1385 PolarHBondContact OH-NZ 3.08Å; K1385-P1387 WeakPolarHBondContact O-CD 3.31Å
1386	I	87.7	Confident	57.4	Low	0 Å²	0	83.1 Å²	83.1	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.2	166.2	-51.7	-178.4	0	0	0	106.8	W865 F1214 M1235 I1249 F1251 I1388	W865-I1386 HydrophobicContact CE3-CG2 4.27Å; F1214-I1386 HydrophobicContact CE1-CD1 4.43Å; M1235-I1386 HydrophobicContact CE-CD1 4.39Å; I1249-I1386 HydrophobicContact CB-CB 4.28Å; I1249-I1386 PolarHBondContact N-O 2.92Å; I1249-I1386 PolarHBondContact O-N 2.99Å; F1251-I1386 HydrophobicContact CD1-CD1 4.48Å; F1251-I1386 HydrophobicContact CD1-CG1 4.25Å; F1251-I1386 HydrophobicContact CE1-CD1 4.05Å; F1251-I1386 HydrophobicContact CE1-CG1 3.77Å; I1386-I1388 HydrophobicContact CG2-CG1 4.45Å; I1386-I1388 PolarHBondContact O-N 2.84Å
1387	P	80	Confident	57.5	Low	30 Å²	30	81.2 Å²	81.2	20%	0.195	42%	0.419	C	S	.	.			trans	-79.1	108.4	-178	32.2	-34.2	0	0	0	110.6	K868 D1248 K1385	K868-P1387 HydrophobicContact CD-CG 4.15Å; D1248-P1387 WeakPolarHBondContact OD1-CA 3.47Å; K1385-P1387 WeakPolarHBondContact O-CD 3.31Å
1388	I	73.2	Confident	57.2	Low	47 Å²	47	80 Å²	80	24%	0.241	42%	0.417	C	S	.	.			trans	-99.6	-46.5	176.3	-62.9	-176.6	0	0	0	109.8	C1209 F1214 D1248 I1249 I1386 S1390	C1209-I1388 HydrophobicContact CB-CD1 3.62Å; C1209-I1388 HydrophobicContact CB-CG2 4.41Å; F1214-I1388 HydrophobicContact CE2-CD1 4.07Å; F1214-I1388 HydrophobicContact CZ-CD1 3.87Å; D1248-I1388 PolarHBondContact OD1-N 3.26Å; I1249-I1388 HydrophobicContact CD1-CD1 3.59Å; I1249-I1388 HydrophobicContact CG1-CD1 3.88Å; I1386-I1388 HydrophobicContact CG2-CG1 4.45Å; I1386-I1388 PolarHBondContact O-N 2.84Å; I1388-S1390 VanDerWaalsContact C-N 3.29Å; I1388-S1390 PolarHBondContact O-N 2.81Å; I1388-S1390 VanDerWaalsContact O-N 3.17Å
1389	Y	58.5	Low	56.6	Low	122 Å²	122	84.7 Å²	84.7	48%	0.478	44%	0.438	S	S	.	.	S	Bend	trans	-95.6	45	-171.6	-58.4	-80.4	0	0	0	112.3	G1247 D1248 S1391	G1247-Y1389 WeakPolarHBondContact O-CB 3.34Å; G1247-Y1389 VanDerWaalsContact O-CD2 3.3Å; G1247-Y1389 WeakPolarHBondContact O-CD2 3.44Å; D1248-Y1389 PolarHBondContact OD1-N 2.84Å; Y1389-S1391 PolarHBondContact O-N 3.25Å
1390	S	42.6	Very low	55.3	Low	69 Å²	69	85.7 Å²	85.7	48%	0.483	45%	0.448	S	S	.	.			trans	-67.7	97.1	179	-70	0	0	0	0	111.7	I1388 N1392	I1388-S1390 VanDerWaalsContact C-N 3.29Å; I1388-S1390 PolarHBondContact O-N 2.81Å; I1388-S1390 VanDerWaalsContact O-N 3.17Å; S1390-N1392 PolarHBondContact O-N 2.8Å
1391	S	32.7	Very low	53.4	Low	86 Å²	86	89.8 Å²	89.8	60%	0.601	47%	0.467	S	S	*	.			trans	-57.5	138.2	173.6	75.5	0	0	0	0	111.5	Y1389 K1393	Y1389-S1391 PolarHBondContact O-N 3.25Å; S1391-K1393 PolarHBondContact O-N 2.69Å
1392	N	29	Very low	51	Low	101 Å²	101	97.4 Å²	97.4	54%	0.54	51%	0.508	S	S	.	.	S	Bend	trans	-69	21.2	-167.9	-104.2	-19.5	0	0	0	116.4	S1390 Q1394 I1395	S1390-N1392 PolarHBondContact O-N 2.8Å; N1392-Q1394 PolarHBondContact O-N 2.91Å; N1392-Q1394 VanDerWaalsContact O-N 3.09Å; N1392-I1395 WeakPolarHBondContact OD1-CD1 3.28Å
1393	K	31.3	Very low	48.3	Very low	187 Å²	187	100.3 Å²	100.3	81%	0.813	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-1.1	-174.4	-77.6	-175.9	174.4	176.7	0	116	S1391	S1391-K1393 PolarHBondContact O-N 2.69Å
1394	Q	30.4	Very low	45.6	Very low	174 Å²	174	107 Å²	107	81%	0.813	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-7.1	-179.6	-75.7	-165	-16.3	0	0	116.3	N1392	N1392-Q1394 PolarHBondContact O-N 2.91Å; N1392-Q1394 VanDerWaalsContact O-N 3.09Å
1395	I	31.6	Very low	42.6	Very low	120 Å²	120	122.4 Å²	122.4	62%	0.615	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-80.2	-26.3	-174.6	-64.1	-175.6	0	0	0	113.1	N1392 N1397	N1392-I1395 WeakPolarHBondContact OD1-CD1 3.28Å; I1395-N1397 PolarHBondContact O-N 2.99Å
1396	N	28.6	Very low	40.3	Very low	153 Å²	153	126.5 Å²	126.5	82%	0.818	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-84.5	6	-173	-83.2	8	0	0	0	116.8
1397	N	29.8	Very low	37.9	Very low	126 Å²	126	133.2 Å²	133.2	67%	0.674	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-103.1	-6.9	-174.7	-82.5	-12	0	0	0	116.1	I1395	I1395-N1397 PolarHBondContact O-N 2.99Å
1398	N	32.1	Very low	35.5	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	72%	0.719	S	S	*	*	S	Bend	trans	-101.1	-3	-171.5	-81.1	19.8	0	0	0	116.1
1399	N	32.7	Very low	33.3	Very low	155 Å²	155	144.3 Å²	144.3	83%	0.829	75%	0.747	S	S	*	*	S	Bend	trans	-98.8	3.4	-176	-81.4	5.2	0	0	0	115.6
1400	N	31.7	Very low	31.7	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	76%	0.763	S	S	*	*	S	Bend	trans	-116.1	69.8	178.1	-82.9	-22.1	0	0	0	111.6
1401	N	32.4	Very low	31	Very low	153 Å²	153	150.8 Å²	150.8	82%	0.818	78%	0.782	S	S	*	*			trans	-159.7	35.7	165.9	-110.9	-15.5	0	0	0	115.3
1402	N	32.9	Very low	30.9	Very low	175 Å²	175	155.4 Å²	155.4	94%	0.936	80%	0.795	S	S	*	*			trans	-109.2	101.2	162	-94.8	-9.2	0	0	0	108.7
1403	G	29.4	Very low	31	Very low	67 Å²	67	159.6 Å²	159.6	69%	0.691	82%	0.815	S	S	*	*			trans	173.7	43.3	-173.9	0	0	0	0	0	116.7
1404	N	31.2	Very low	31	Very low	142 Å²	142	157.3 Å²	157.3	76%	0.759	82%	0.815	S	S	*	*			trans	-173.5	44.7	156.3	-107.8	13.3	0	0	0	115.3	R105	R105-N1404 PolarHBondContact NH2-OD1 2.74Å
1405	R	29.2	Very low	31	Very low	323 Å²	323	155.8 Å²	155.8	100%	1.219	82%	0.815	S	S	*	*			trans	-160.4	0	142.5	-121.1	178	-175.4	178.1	1.7	111.2

Retrieved 1,405 of 1,405 residues in 1929.3 ms (Link to these results)

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