X2JKT7_DROME Loading...

Venom dipeptidyl peptidase 4

AlphaFold DB , UniProt , Accession X2JKT7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG45002, Length 982 aa.

						>X2JKT7_DROME|X2JKT7|Dmel\CG45002
MSVDLSGQQEPTISVITTVPVAQNGGEMDALLLGRIGELVAISPERRNWRGIFIALLVIAAVFSLIIFSIFLLSPEDEGLRIRGRRMLPSDILGRSLQWKPFNGTWSNGRELIYRDPTGGLSILNMADLTTRILMTNSTFRQLNAESFLVAPDQKYVLLQSDSNAEGSRHHVYEVQTANTFPLGPTENIAEAPRLQHVVWAPANPPPPLGAPPPSGASGASGASGASTTTMAPLPSGSIILNSLAGAANGPASAGASGSSAPNPNGKAGGYNLNQAIAFVHHNDIYYKPKVQGELVCRITQTGSGSLEGESTGVVFNGVPDWMYENVPELESRRSSMEFSPDGLFLAFLSYNDSEVNEYKYTWMGDDIKYPAVMSQRYPKTGSRNPNVTVNVVNLSVIKYIFPTQIKLPSELSNGSYVGGLTWASSTDLSVTVTNREQTKATTVLCRAPHFHCQAVHTEVTINDGWVLPSERPIFSVRNQGHNRLGKMVQNAEEIQAESQNVNVTDGQTHTTHEISNGGYLLKRLPVRDGEHGHYRHVVFISSLDRRPVPLTMGRFEVTEIVGWDEPHEIVYFMAAPEKRPGERHLYKISLKLNVTESNRTYITSTSPTCLTCDNTESTYRLHRARISQRGDRWEDIVARLEPDDCLYDIPKNCLFNRVQFSQDYSYYVQECLGPEAPSVYLVETASNDKIYVLNAGDVLRHRLSQLAIPQSRTFSVEIRHGFHAQVRLFLPPGMREEEDVAFPLVLHVDASPGSQLVTERFHVDWNWYLASQRSFIVAQIDGRGSGFQGELLRTQVHGKLGTVEVEDQLGVLTYLRDNLKFIDPLRICAFGWGYGGYASSMMLIDDSQQVLQCAVAINPIVNFGFHYSFFTERYIPLKGDYLRALQEADLTMKAGNIKGRNLMLMHGTADTLVHQEHTLMLVRALVEQQVKFRHQVYPDEDHAIARSLSHVYKTMEWYFDECFGPVDDNEWDPTGLFVFKQ
					

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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	34.8	Very low	33.2	Very low	230 Å²	230	139.8 Å²	139.8	100%	1.133	79%	0.791	S	S	*	*				0	106.3	0	-67.9	164.8	179.1	0	0	105.6
2	S	28.4	Very low	32.7	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	79%	0.787	S	S	*	*				66.7	124.5	67.5	70.7	0	0	0	0	110.6
3	V	31.7	Very low	32.4	Very low	127 Å²	127	140.4 Å²	140.4	77%	0.77	79%	0.792	S	S	*	*			cis	-145.8	133.4	28	173	0	0	0	0	107.2
4	D	35.3	Very low	32.4	Very low	141 Å²	141	138.1 Å²	138.1	75%	0.754	79%	0.789	S	S	*	*				48.1	146.5	95.8	-83	-11.8	0	0	0	115.7
5	L	35.8	Very low	32.1	Very low	143 Å²	143	138.5 Å²	138.5	75%	0.749	80%	0.795	S	S	*	*			cis	-164.4	167.4	7.7	-123.6	166.6	0	0	0	111.5
6	S	30.8	Very low	32.1	Very low	122 Å²	122	138.8 Å²	138.8	85%	0.853	79%	0.791	S	S	*	*			trans	62.5	156.9	163.6	75.1	0	0	0	0	120.6
7	G	31.1	Very low	31.9	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	80%	0.796	S	S	*	*			cis	174.2	152.1	-12.2	0	0	0	0	0	115.6
8	Q	29.5	Very low	31.9	Very low	190 Å²	190	137.9 Å²	137.9	89%	0.888	79%	0.792	S	S	*	*			trans	61.9	95.2	162.4	-63.8	-172.8	-64.9	0	0	123.2
9	Q	30.7	Very low	31.7	Very low	153 Å²	153	137.3 Å²	137.3	72%	0.715	79%	0.791	S	S	*	*				58.2	110.4	106.7	-166.2	160.2	21.9	0	0	124.1
10	E	32.1	Very low	32.6	Very low	158 Å²	158	136.2 Å²	136.2	74%	0.738	79%	0.789	S	S	*	*			trans	65.9	164.7	142.5	-84	173.2	-123.1	0	0	122.6
11	P	44.7	Very low	32.6	Very low	99 Å²	99	136.5 Å²	136.5	64%	0.643	79%	0.792	S	S	*	*			cis	-132.8	164.2	-5.4	35.2	-15.9	0	0	0	118
12	T	27.7	Very low	32.3	Very low	122 Å²	122	129.9 Å²	129.9	75%	0.748	78%	0.775	S	S	*	*			trans	34.4	133.4	146.3	63.4	0	0	0	0	124.6
13	I	28.9	Very low	32.6	Very low	165 Å²	165	133 Å²	133	85%	0.846	78%	0.777	S	S	*	*				176.3	154.1	111.3	-92.1	168	0	0	0	112
14	S	31.5	Very low	32.8	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	78%	0.776	S	S	*	*			trans	-110.3	152.4	-173.8	56.4	0	0	0	0	115.3
15	V	29	Very low	32.7	Very low	144 Å²	144	130.3 Å²	130.3	87%	0.873	78%	0.777	S	S	*	*			trans	-138.5	157.9	171.3	-177.9	0	0	0	0	112
16	I	31.9	Very low	32.5	Very low	144 Å²	144	127.5 Å²	127.5	74%	0.738	78%	0.782	S	S	*	*			trans	-103.6	152.2	-165.3	-60.9	151.6	0	0	0	112.9
17	T	29	Very low	32.9	Very low	143 Å²	143	130.2 Å²	130.2	88%	0.877	78%	0.781	S	S	*	*			trans	-168.6	170.5	141.3	8.9	0	0	0	0	114.5
18	T	31.7	Very low	33.1	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.724	79%	0.785	S	S	*	*			trans	-151.2	-171.8	-159.4	50	0	0	0	0	114.9
19	V	28.6	Very low	33.6	Very low	127 Å²	127	133 Å²	133	77%	0.77	78%	0.782	S	S	*	*			trans	85.9	153.1	166.3	-171.6	0	0	0	0	116
20	P	48.7	Very low	33.8	Very low	114 Å²	114	129.8 Å²	129.8	74%	0.74	78%	0.782	S	S	*	*			cis	-111.8	-172.7	-8.1	19	6	0	0	0	113.8
21	V	31.8	Very low	33.9	Very low	143 Å²	143	129.9 Å²	129.9	87%	0.867	79%	0.786	S	S	*	*			cis	111	109.4	0.2	179.9	0	0	0	0	118.8
22	A	29.3	Very low	33.4	Very low	92 Å²	92	131.8 Å²	131.8	76%	0.76	79%	0.79	S	S	*	*			trans	-159.6	126.2	160.1	0	0	0	0	0	109.7
23	Q	34.7	Very low	33.7	Very low	170 Å²	170	134 Å²	134	79%	0.794	80%	0.797	S	S	*	*				66.7	131.3	77.7	-73.4	-146	-6.8	0	0	115.3
24	N	35.1	Very low	33.7	Very low	137 Å²	137	129.1 Å²	129.1	73%	0.733	79%	0.788	S	S	*	*			cis	-153.5	174.5	1.2	-82.1	-33.8	0	0	0	109
25	G	33.2	Very low	33.7	Very low	75 Å²	75	135.9 Å²	135.9	77%	0.773	80%	0.796	S	S	*	*			cis	154.2	147.4	-4.9	0	0	0	0	0	112.4
26	G	33	Very low	34	Very low	83 Å²	83	136.9 Å²	136.9	86%	0.856	80%	0.795	S	S	*	*			trans	96.3	161.9	-170.3	0	0	0	0	0	112.5
27	E	38.7	Very low	33.9	Very low	180 Å²	180	132.9 Å²	132.9	84%	0.841	79%	0.789	S	S	*	*			cis	-153.8	173.6	-9.2	-135.2	-175.9	136.1	0	0	106.1
28	M	34.8	Very low	34	Very low	162 Å²	162	134.5 Å²	134.5	80%	0.798	79%	0.787	S	S	*	*			cis	-153	-178.4	9.8	-162.4	-171.7	-179.5	0	0	109.1
29	D	40.9	Very low	34.1	Very low	155 Å²	155	136 Å²	136	83%	0.829	79%	0.79	S	S	*	*			trans	-78.9	149.6	-171.9	-71	-57.8	0	0	0	117.5
30	A	33.9	Very low	34.4	Very low	86 Å²	86	136.7 Å²	136.7	71%	0.711	79%	0.794	S	S	*	*				162.6	109.5	104.8	0	0	0	0	0	117.4
31	L	34.8	Very low	33.9	Very low	160 Å²	160	135.4 Å²	135.4	84%	0.838	79%	0.793	S	S	*	*				65.3	136.2	126.9	-75.2	168.1	0	0	0	126.2
32	L	34.2	Very low	34.7	Very low	139 Å²	139	137 Å²	137	73%	0.728	80%	0.795	S	S	*	*			trans	88.6	88.7	143.8	-68.9	168.8	0	0	0	124.1
33	L	33.9	Very low	35.2	Very low	169 Å²	169	137.4 Å²	137.4	89%	0.885	79%	0.793	S	S	*	*				39.6	130.1	118	-76.7	171.9	0	0	0	122.9
34	G	29.3	Very low	36.2	Very low	63 Å²	63	135.4 Å²	135.4	65%	0.649	79%	0.794	S	S	*	*				149	111	122.4	0	0	0	0	0	120.1
35	R	31.3	Very low	36.8	Very low	249 Å²	249	137.7 Å²	137.7	94%	0.94	80%	0.8	S	S	*	*			trans	64.6	157.1	170.6	-56.7	174.6	167.2	164.3	-5	113.9
36	I	35.5	Very low	38	Very low	165 Å²	165	145.6 Å²	145.6	85%	0.846	81%	0.807	S	S	*	*			cis	-131.1	154.6	11	-62.4	166.5	0	0	0	106.9
37	G	29.4	Very low	39.4	Very low	60 Å²	60	150.3 Å²	150.3	62%	0.619	80%	0.799	S	S	*	*			cis	128.3	82	2.7	0	0	0	0	0	113.1
38	E	31.2	Very low	40.6	Very low	178 Å²	178	147.3 Å²	147.3	83%	0.832	79%	0.789	S	S	*	*			trans	70.8	139.7	161.7	-69	-168.7	116.6	0	0	122.2
39	L	34.3	Very low	42.2	Very low	149 Å²	149	147.7 Å²	147.7	78%	0.78	78%	0.781	S	S	*	*			trans	66.5	156	152.3	-63.4	162.5	0	0	0	116.6
40	V	35	Very low	43.6	Very low	141 Å²	141	150.1 Å²	150.1	86%	0.855	78%	0.779	S	S	*	*			cis	-135.7	155.4	30.6	166.4	0	0	0	0	112.4
41	A	38.3	Very low	45.5	Very low	88 Å²	88	147.7 Å²	147.7	73%	0.727	76%	0.763	S	S	*	*			trans	-85.1	172.7	179.4	0	0	0	0	0	114.7
42	I	48.8	Very low	47.5	Very low	175 Å²	175	143.6 Å²	143.6	90%	0.897	74%	0.74	S	S	*	*			trans	-60.6	134.2	-173.2	-60.2	160.2	0	0	0	113.3
43	S	39.5	Very low	49.5	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	74%	0.737	S	S	*	*			trans	-146.4	152	146.7	64.7	0	0	0	0	111
44	P	55	Low	51.8	Low	128 Å²	128	141.3 Å²	141.3	83%	0.831	72%	0.722	S	S	*	*			trans	-98.6	95.9	-166.6	36.1	-33	0	0	0	114
45	E	48.1	Very low	54.2	Low	184 Å²	184	140.7 Å²	140.7	86%	0.86	71%	0.711	S	S	*	*			trans	-87.1	158	163.9	-82.4	-115.2	99.2	0	0	112.3	R47	E45-R47 PolarHBondContact O-N 3.01Å
46	R	59.1	Low	56.7	Low	241 Å²	241	133.9 Å²	133.9	91%	0.909	69%	0.692	S	S	*	*			trans	-62.8	106.5	-171.2	-69.1	178.3	171.2	-162.8	-2.3	112.2	N48	R46-N48 PolarHBondContact O-N 3.03Å
47	R	61	Low	59.1	Low	183 Å²	183	131.5 Å²	131.5	69%	0.691	68%	0.681	S	S	*	*			trans	-51.4	114.8	161	-98.3	-173.7	172.5	177.5	-1.5	109	E45 W49	E45-R47 PolarHBondContact O-N 3.01Å; R47-W49 PolarHBondContact O-N 2.85Å
48	N	65.6	Low	61.9	Low	117 Å²	117	132.5 Å²	132.5	63%	0.626	68%	0.675	S	S	*	*			trans	-78.6	73	179.9	-168.6	-2.8	0	0	0	109.9	R46 R50 G51 I52	R46-N48 PolarHBondContact O-N 3.03Å; N48-R50 PolarHBondContact O-N 3.34Å; N48-G51 PolarHBondContact O-N 2.93Å; N48-I52 PolarHBondContact O-N 2.97Å
49	W	68.3	Low	64.6	Low	169 Å²	169	128.3 Å²	128.3	64%	0.64	66%	0.657	S	S	*	*	H	α-helix	trans	-52.1	-30.8	-175	-73.8	95.5	0	0	0	113.4	R47 I52 F53	R47-W49 PolarHBondContact O-N 2.85Å; W49-I52 PolarHBondContact O-N 3.05Å; W49-F53 WeakPolarHBondContact O-CB 3.49Å; W49-F53 PolarHBondContact O-N 2.89Å
50	R	69.9	Low	67.1	Low	206 Å²	206	123.7 Å²	123.7	78%	0.777	64%	0.64	S	S	*	*	H	α-helix	trans	-61.8	-43.5	174.2	-71.9	-177.2	170.7	-173.4	-4.4	112.4	N48 F53 I54	N48-R50 PolarHBondContact O-N 3.34Å; R50-F53 PolarHBondContact O-N 3.32Å; R50-I54 WeakPolarHBondContact O-CB 3.38Å; R50-I54 WeakPolarHBondContact O-CD1 3.3Å; R50-I54 VanDerWaalsContact O-CG1 3.24Å; R50-I54 WeakPolarHBondContact O-CG1 3.34Å; R50-I54 PolarHBondContact O-N 3.45Å
51	G	73.2	Confident	69.7	Low	36 Å²	36	119.1 Å²	119.1	37%	0.371	62%	0.617	S	S	.	*	H	α-helix	trans	-64.6	-40.2	175.8	0	0	0	0	0	112.5	N48 I54 A55	N48-G51 PolarHBondContact O-N 2.93Å; G51-I54 PolarHBondContact O-N 2.89Å; G51-A55 WeakPolarHBondContact O-CB 3.44Å; G51-A55 PolarHBondContact O-N 3.4Å
52	I	76.9	Confident	72.2	Confident	73 Å²	73	118.3 Å²	118.3	37%	0.374	60%	0.604	S	S	.	*	H	α-helix	trans	-65.7	-42.3	176.4	-58.8	174.2	0	0	0	110.9	N48 W49 A55 L56	N48-I52 PolarHBondContact O-N 2.97Å; W49-I52 PolarHBondContact O-N 3.05Å; I52-A55 PolarHBondContact O-N 2.94Å; I52-L56 HydrophobicContact CG2-CD1 4.13Å; I52-L56 WeakPolarHBondContact O-CG 3.24Å; I52-L56 PolarHBondContact O-N 3.48Å
53	F	77.2	Confident	74.1	Confident	150 Å²	150	116 Å²	116	66%	0.658	59%	0.587	S	S	*	*	H	α-helix	trans	-65.4	-41.3	177.4	-129.9	-83	0	0	0	112.2	W49 R50 L56 L57	W49-F53 WeakPolarHBondContact O-CB 3.49Å; W49-F53 PolarHBondContact O-N 2.89Å; R50-F53 PolarHBondContact O-N 3.32Å; F53-L56 PolarHBondContact O-N 2.95Å; F53-L57 VanDerWaalsContact O-CB 3.3Å; F53-L57 WeakPolarHBondContact O-CB 3.33Å; F53-L57 PolarHBondContact O-N 3.39Å
54	I	81.5	Confident	76.3	Confident	111 Å²	111	114.8 Å²	114.8	57%	0.569	58%	0.579	S	S	*	*	H	α-helix	trans	-64.5	-44.2	175.3	-68.9	163.7	0	0	0	110.4	R50 G51 L56 L57 V58	R50-I54 WeakPolarHBondContact O-CB 3.38Å; R50-I54 WeakPolarHBondContact O-CD1 3.3Å; R50-I54 VanDerWaalsContact O-CG1 3.24Å; R50-I54 WeakPolarHBondContact O-CG1 3.34Å; R50-I54 PolarHBondContact O-N 3.45Å; G51-I54 PolarHBondContact O-N 2.89Å; I54-L56 PolarHBondContact O-N 3.3Å; I54-L57 PolarHBondContact O-N 2.88Å; I54-V58 HydrophobicContact CG2-CG2 4.43Å; I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 2.9Å
55	A	78.8	Confident	77.8	Confident	50 Å²	50	114.2 Å²	114.2	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-60.8	-45.6	176.9	0	0	0	0	0	112.1	G51 I52 L57 V58 I59	G51-A55 WeakPolarHBondContact O-CB 3.44Å; G51-A55 PolarHBondContact O-N 3.4Å; I52-A55 PolarHBondContact O-N 2.94Å; A55-L57 PolarHBondContact O-N 3.49Å; A55-V58 PolarHBondContact O-N 3.44Å; A55-I59 WeakPolarHBondContact O-CB 3.44Å; A55-I59 WeakPolarHBondContact O-CD1 3.37Å; A55-I59 VanDerWaalsContact O-CG1 3.24Å; A55-I59 WeakPolarHBondContact O-CG1 3.48Å; A55-I59 PolarHBondContact O-N 3.28Å
56	L	83.4	Confident	79.6	Confident	105 Å²	105	109.4 Å²	109.4	55%	0.55	55%	0.547	S	S	.	.	H	α-helix	trans	-64	-38.1	175.8	-76.7	169.3	0	0	0	112.7	I52 F53 I54 I59 A60	I52-L56 HydrophobicContact CG2-CD1 4.13Å; I52-L56 WeakPolarHBondContact O-CG 3.24Å; I52-L56 PolarHBondContact O-N 3.48Å; F53-L56 PolarHBondContact O-N 2.95Å; I54-L56 PolarHBondContact O-N 3.3Å; L56-I59 PolarHBondContact O-N 3.5Å; L56-A60 WeakPolarHBondContact O-CB 3.44Å; L56-A60 PolarHBondContact O-N 3.44Å
57	L	86.5	Confident	80.7	Confident	115 Å²	115	103.2 Å²	103.2	60%	0.602	53%	0.531	S	S	*	.	H	α-helix	trans	-68.4	-40.8	177.5	-162.5	161.4	0	0	0	111.2	F53 I54 A55 A60 A61	F53-L57 VanDerWaalsContact O-CB 3.3Å; F53-L57 WeakPolarHBondContact O-CB 3.33Å; F53-L57 PolarHBondContact O-N 3.39Å; I54-L57 PolarHBondContact O-N 2.88Å; A55-L57 PolarHBondContact O-N 3.49Å; L57-A60 PolarHBondContact O-N 2.88Å; L57-A61 WeakPolarHBondContact O-CB 3.46Å; L57-A61 PolarHBondContact O-N 3.4Å
58	V	89.1	Confident	81.8	Confident	82 Å²	82	100.4 Å²	100.4	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-44.2	173	170.8	0	0	0	0	111.2	I54 A55 A60 A61 V62	I54-V58 HydrophobicContact CG2-CG2 4.43Å; I54-V58 WeakPolarHBondContact O-CG2 3.43Å; I54-V58 PolarHBondContact O-N 2.9Å; A55-V58 PolarHBondContact O-N 3.44Å; V58-A60 PolarHBondContact O-N 3.4Å; V58-A61 PolarHBondContact O-N 2.9Å; V58-V62 HydrophobicContact CG1-CG2 4.43Å; V58-V62 WeakPolarHBondContact O-CB 3.47Å; V58-V62 WeakPolarHBondContact O-CG2 3.24Å; V58-V62 PolarHBondContact O-N 3.49Å
59	I	88.1	Confident	82.5	Confident	89 Å²	89	97.5 Å²	97.5	46%	0.456	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-44.9	175.6	-71.6	164.1	0	0	0	110.6	A55 L56 V62 F63	A55-I59 WeakPolarHBondContact O-CB 3.44Å; A55-I59 WeakPolarHBondContact O-CD1 3.37Å; A55-I59 VanDerWaalsContact O-CG1 3.24Å; A55-I59 WeakPolarHBondContact O-CG1 3.48Å; A55-I59 PolarHBondContact O-N 3.28Å; L56-I59 PolarHBondContact O-N 3.5Å; I59-V62 PolarHBondContact O-N 3.35Å; I59-F63 HydrophobicContact CG2-CD2 3.74Å; I59-F63 HydrophobicContact CG2-CE2 3.89Å; I59-F63 WeakPolarHBondContact O-CD2 3.46Å; I59-F63 PolarHBondContact O-N 2.91Å
60	A	86.9	Confident	83	Confident	52 Å²	52	94 Å²	94	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.2	0	0	0	0	0	112.1	L56 L57 V58 F63 S64	L56-A60 WeakPolarHBondContact O-CB 3.44Å; L56-A60 PolarHBondContact O-N 3.44Å; L57-A60 PolarHBondContact O-N 2.88Å; V58-A60 PolarHBondContact O-N 3.4Å; A60-F63 PolarHBondContact O-N 3.46Å; A60-S64 WeakPolarHBondContact O-CB 3.14Å; A60-S64 PolarHBondContact O-N 2.82Å; A60-S64 PolarHBondContact O-OG 3.28Å; A60-S64 VanDerWaalsContact O-OG 3.13Å
61	A	88.6	Confident	83.3	Confident	45 Å²	45	92.2 Å²	92.2	37%	0.372	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-38.8	176.7	0	0	0	0	0	112.6	L57 V58 S64 L65	L57-A61 WeakPolarHBondContact O-CB 3.46Å; L57-A61 PolarHBondContact O-N 3.4Å; V58-A61 PolarHBondContact O-N 2.9Å; A61-S64 PolarHBondContact O-N 3.26Å; A61-L65 WeakPolarHBondContact O-CB 3.49Å; A61-L65 WeakPolarHBondContact O-CG 3.47Å; A61-L65 PolarHBondContact O-N 2.85Å
62	V	90.8	Very high	83.4	Confident	72 Å²	72	95.8 Å²	95.8	44%	0.436	51%	0.514	S	S	.	.	H	α-helix	trans	-66.8	-43.2	174	169.6	0	0	0	0	110.8	V58 I59 L65 I66	V58-V62 HydrophobicContact CG1-CG2 4.43Å; V58-V62 WeakPolarHBondContact O-CB 3.47Å; V58-V62 WeakPolarHBondContact O-CG2 3.24Å; V58-V62 PolarHBondContact O-N 3.49Å; I59-V62 PolarHBondContact O-N 3.35Å; V62-L65 PolarHBondContact O-N 2.87Å; V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.44Å; V62-I66 VanDerWaalsContact O-CG1 3.3Å; V62-I66 WeakPolarHBondContact O-CG1 3.3Å; V62-I66 PolarHBondContact O-N 2.86Å
63	F	89.3	Confident	82.9	Confident	125 Å²	125	98.8 Å²	98.8	55%	0.548	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-41.4	173	-90.9	-69.1	0	0	0	112.4	I59 A60 L65 I66 I67	I59-F63 HydrophobicContact CG2-CD2 3.74Å; I59-F63 HydrophobicContact CG2-CE2 3.89Å; I59-F63 WeakPolarHBondContact O-CD2 3.46Å; I59-F63 PolarHBondContact O-N 2.91Å; A60-F63 PolarHBondContact O-N 3.46Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 3.34Å; F63-I66 PolarHBondContact O-N 2.87Å; F63-I67 WeakPolarHBondContact O-CB 3.39Å; F63-I67 WeakPolarHBondContact O-CD1 3.33Å; F63-I67 VanDerWaalsContact O-CG1 3.23Å; F63-I67 WeakPolarHBondContact O-CG1 3.34Å; F63-I67 PolarHBondContact O-N 3.13Å
64	S	84.9	Confident	81.5	Confident	77 Å²	77	94.4 Å²	94.4	54%	0.538	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-39.2	173.7	-65.4	0	0	0	0	112.3	A60 A61 F68	A60-S64 WeakPolarHBondContact O-CB 3.14Å; A60-S64 PolarHBondContact O-N 2.82Å; A60-S64 PolarHBondContact O-OG 3.28Å; A60-S64 VanDerWaalsContact O-OG 3.13Å; A61-S64 PolarHBondContact O-N 3.26Å; S64-F68 WeakPolarHBondContact O-CB 3.39Å; S64-F68 PolarHBondContact O-N 2.84Å
65	L	86.7	Confident	80.1	Confident	116 Å²	116	93.7 Å²	93.7	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-68.9	-37.1	174.5	-79.6	167.4	0	0	0	112.7	A61 V62 F63 S69	A61-L65 WeakPolarHBondContact O-CB 3.49Å; A61-L65 WeakPolarHBondContact O-CG 3.47Å; A61-L65 PolarHBondContact O-N 2.85Å; V62-L65 PolarHBondContact O-N 2.87Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 3.34Å; L65-S69 WeakPolarHBondContact O-CB 3.46Å; L65-S69 PolarHBondContact O-N 2.81Å
66	I	86.9	Confident	78.4	Confident	84 Å²	84	100.1 Å²	100.1	43%	0.431	54%	0.542	S	S	.	.	H	α-helix	trans	-66.2	-47.3	174	-70.3	165.4	0	0	0	110.2	V62 F63 F68 S69 I70	V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.44Å; V62-I66 VanDerWaalsContact O-CG1 3.3Å; V62-I66 WeakPolarHBondContact O-CG1 3.3Å; V62-I66 PolarHBondContact O-N 2.86Å; F63-I66 PolarHBondContact O-N 2.87Å; I66-F68 PolarHBondContact O-N 3.02Å; I66-S69 PolarHBondContact O-N 2.8Å; I66-I70 HydrophobicContact CG2-CD1 3.84Å; I66-I70 VanDerWaalsContact O-CG1 3.29Å; I66-I70 WeakPolarHBondContact O-CG1 3.23Å; I66-I70 PolarHBondContact O-N 3.26Å
67	I	81.4	Confident	76.4	Confident	111 Å²	111	101.6 Å²	101.6	57%	0.569	55%	0.551	S	S	*	*	H	α-helix	trans	-63.3	-42.9	178.2	-68	163.6	0	0	0	110.8	F63 I70 F71	F63-I67 WeakPolarHBondContact O-CB 3.39Å; F63-I67 WeakPolarHBondContact O-CD1 3.33Å; F63-I67 VanDerWaalsContact O-CG1 3.23Å; F63-I67 WeakPolarHBondContact O-CG1 3.34Å; F63-I67 PolarHBondContact O-N 3.13Å; I67-I70 PolarHBondContact O-N 2.81Å; I67-F71 WeakPolarHBondContact O-CB 3.14Å; I67-F71 PolarHBondContact O-N 2.98Å
68	F	83.1	Confident	74.3	Confident	123 Å²	123	101.9 Å²	101.9	54%	0.539	55%	0.549	S	S	.	.	H	α-helix	trans	-67.7	-36.3	175.7	-175.4	-110.9	0	0	0	112.4	S64 I66 F71 L72	S64-F68 WeakPolarHBondContact O-CB 3.39Å; S64-F68 PolarHBondContact O-N 2.84Å; I66-F68 PolarHBondContact O-N 3.02Å; F68-F71 PolarHBondContact O-N 3.35Å; F68-L72 HydrophobicContact CD1-CD1 3.92Å; F68-L72 HydrophobicContact CE1-CD1 3.4Å; F68-L72 VanDerWaalsContact CE1-CD1 3.4Å; F68-L72 HydrophobicContact CE1-CG 4.37Å; F68-L72 HydrophobicContact CE2-CD1 4.26Å; F68-L72 HydrophobicContact CE2-CG 4.49Å; F68-L72 HydrophobicContact CZ-CD1 3.6Å; F68-L72 HydrophobicContact CZ-CG 4.28Å; F68-L72 WeakPolarHBondContact O-CB 3.29Å; F68-L72 WeakPolarHBondContact O-CG 3.23Å; F68-L72 PolarHBondContact O-N 3.49Å
69	S	81.2	Confident	72	Confident	56 Å²	56	100.9 Å²	100.9	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-69.9	-33.5	173.8	-171.6	0	0	0	0	112.2	L65 I66 L72 L73	L65-S69 WeakPolarHBondContact O-CB 3.46Å; L65-S69 PolarHBondContact O-N 2.81Å; I66-S69 PolarHBondContact O-N 2.8Å; S69-L72 PolarHBondContact O-N 3.17Å; S69-L73 WeakPolarHBondContact O-CB 3.19Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 3.12Å; S69-L73 WeakPolarHBondContact OG-CD1 3.49Å
70	I	78.4	Confident	70	Confident	97 Å²	97	101.6 Å²	101.6	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-66.3	-47	170.6	-70.9	163.8	0	0	0	108.7	I66 I67 L72 L73 S74	I66-I70 HydrophobicContact CG2-CD1 3.84Å; I66-I70 VanDerWaalsContact O-CG1 3.29Å; I66-I70 WeakPolarHBondContact O-CG1 3.23Å; I66-I70 PolarHBondContact O-N 3.26Å; I67-I70 PolarHBondContact O-N 2.81Å; I70-L72 PolarHBondContact O-N 3.47Å; I70-L72 VanDerWaalsContact O-N 3.12Å; I70-L73 PolarHBondContact O-N 3.47Å; I70-S74 VanDerWaalsContact O-CB 3.25Å; I70-S74 WeakPolarHBondContact O-CB 3.25Å; I70-S74 PolarHBondContact O-N 2.88Å; I70-S74 PolarHBondContact O-OG 3.34Å
71	F	76.1	Confident	68.5	Low	167 Å²	167	107.7 Å²	107.7	73%	0.732	57%	0.571	S	S	*	*	H	α-helix	trans	-63.9	-16.4	178.2	-162	-91.6	0	0	0	114.6	I67 F68	I67-F71 WeakPolarHBondContact O-CB 3.14Å; I67-F71 PolarHBondContact O-N 2.98Å; F68-F71 PolarHBondContact O-N 3.35Å
72	L	74.7	Confident	67.4	Low	112 Å²	112	108.2 Å²	108.2	59%	0.586	57%	0.567	S	S	*	*	H	α-helix	trans	-104.7	-15	174.5	-74.5	179.2	0	0	0	114.9	F68 S69 I70	F68-L72 HydrophobicContact CD1-CD1 3.92Å; F68-L72 HydrophobicContact CE1-CD1 3.4Å; F68-L72 VanDerWaalsContact CE1-CD1 3.4Å; F68-L72 HydrophobicContact CE1-CG 4.37Å; F68-L72 HydrophobicContact CE2-CD1 4.26Å; F68-L72 HydrophobicContact CE2-CG 4.49Å; F68-L72 HydrophobicContact CZ-CD1 3.6Å; F68-L72 HydrophobicContact CZ-CG 4.28Å; F68-L72 WeakPolarHBondContact O-CB 3.29Å; F68-L72 WeakPolarHBondContact O-CG 3.23Å; F68-L72 PolarHBondContact O-N 3.49Å; S69-L72 PolarHBondContact O-N 3.17Å; I70-L72 PolarHBondContact O-N 3.47Å; I70-L72 VanDerWaalsContact O-N 3.12Å
73	L	66.6	Low	66.4	Low	136 Å²	136	114.1 Å²	114.1	71%	0.712	58%	0.582	S	S	*	*	H	α-helix	trans	-116.5	-22.8	-176.3	-63.5	177.3	0	0	0	113.6	S69 I70	S69-L73 WeakPolarHBondContact O-CB 3.19Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 3.12Å; S69-L73 WeakPolarHBondContact OG-CD1 3.49Å; I70-L73 PolarHBondContact O-N 3.47Å
74	S	49.3	Very low	66.1	Low	58 Å²	58	110 Å²	110	41%	0.406	58%	0.575	S	S	.	*	S	Bend	trans	-60.6	128.5	146.5	-71.8	0	0	0	0	106.8	I70	I70-S74 VanDerWaalsContact O-CB 3.25Å; I70-S74 WeakPolarHBondContact O-CB 3.25Å; I70-S74 PolarHBondContact O-N 2.88Å; I70-S74 PolarHBondContact O-OG 3.34Å
75	P	50.4	Low	66.5	Low	96 Å²	96	111.6 Å²	111.6	62%	0.623	57%	0.569	S	S	*	*			trans	-59	168.9	159.2	30	-34.7	0	0	0	109.2	D77	P75-D77 VanDerWaalsContact C-N 3.35Å; P75-D77 PolarHBondContact O-N 3.48Å
76	E	44.9	Very low	66.8	Low	185 Å²	185	110 Å²	110	86%	0.864	56%	0.555	S	S	*	*			trans	-61.6	105.7	157.3	-72.9	-171.7	130.6	0	0	107.6	E78	E76-E78 PolarHBondContact O-N 2.92Å
77	D	41.3	Very low	67	Low	136 Å²	136	106 Å²	106	73%	0.727	53%	0.534	S	S	*	.			trans	-63.7	87.6	162.2	-77.4	-38.5	0	0	0	107.4	P75 G79	P75-D77 VanDerWaalsContact C-N 3.35Å; P75-D77 PolarHBondContact O-N 3.48Å; D77-G79 PolarHBondContact O-N 3.26Å
78	E	41.5	Very low	67.5	Low	120 Å²	120	104.4 Å²	104.4	56%	0.561	53%	0.527	S	S	*	.			trans	-65.3	61.1	156.3	-81.7	-125.5	110.9	0	0	108.7	E76 L80 R81	E76-E78 PolarHBondContact O-N 2.92Å; E78-L80 PolarHBondContact O-N 3.05Å; E78-R81 WeakPolarHBondContact OE1-CD 3.32Å; E78-R81 IonicContact OE1-CZ 2.68Å; E78-R81 IonicContact OE1-NH1 2.77Å; E78-R81 PolarHBondContact OE1-NH1 2.68Å
79	G	40.3	Very low	67.7	Low	61 Å²	61	100.6 Å²	100.6	63%	0.629	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	110.9	-171.8	0	0	0	0	0	110.7	D77 R81	D77-G79 PolarHBondContact O-N 3.26Å; G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 3.4Å
80	L	47.4	Very low	68.1	Low	105 Å²	105	101.5 Å²	101.5	55%	0.55	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	13.9	70.6	-175.5	-70.4	172.7	0	0	0	113.5	E78 I82 G734	E78-L80 PolarHBondContact O-N 3.05Å; L80-I82 PolarHBondContact O-N 3.08Å; L80-G734 VanDerWaalsContact CD2-O 3.28Å; L80-G734 WeakPolarHBondContact CD2-O 3.5Å
81	R	54.1	Low	68.7	Low	180 Å²	180	97.7 Å²	97.7	68%	0.679	50%	0.502	S	S	*	.			trans	-77.6	54.9	-173.3	-140.4	173.5	-169.7	174.5	5.5	112.4	E78 G79 R83	E78-R81 WeakPolarHBondContact OE1-CD 3.32Å; E78-R81 IonicContact OE1-CZ 2.68Å; E78-R81 IonicContact OE1-NH1 2.77Å; E78-R81 PolarHBondContact OE1-NH1 2.68Å; G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 3.4Å; R81-R83 WeakPolarHBondContact O-CG 3.33Å; R81-R83 PolarHBondContact O-N 3.23Å
82	I	66	Low	69.4	Low	56 Å²	56	90.4 Å²	90.4	29%	0.287	47%	0.47	S	S	.	.			trans	-51.1	108.7	174.3	-63.6	172.5	0	0	0	107.7	L80 A708 P733	L80-I82 PolarHBondContact O-N 3.08Å; I82-A708 HydrophobicContact CG2-CB 3.37Å; I82-P733 WeakPolarHBondContact CD1-O 3.33Å; I82-P733 HydrophobicContact CG2-CB 4.17Å
83	R	69.1	Low	70.1	Confident	195 Å²	195	88.1 Å²	88.1	74%	0.736	46%	0.458	S	S	*	.			trans	-81.4	123.7	-176.8	-61.6	-169	-176.4	-168.1	1.6	109.3	R81 L707 A708	R81-R83 WeakPolarHBondContact O-CG 3.33Å; R81-R83 PolarHBondContact O-N 3.23Å; R83-L707 CarbonylContact O-C 3.59Å; R83-A708 PolarHBondContact O-N 2.85Å
84	G	84.8	Confident	70.9	Confident	40 Å²	40	82.7 Å²	82.7	41%	0.412	44%	0.435	S	S	.	.	S	Bend	trans	87.9	175.1	-179.1	0	0	0	0	0	113.9	Q706	G84-Q706 CarbonylContact C-O 3.59Å; G84-Q706 WeakPolarHBondContact CA-O 3.49Å
85	R	92.7	Very high	72.5	Confident	109 Å²	109	90.9 Å²	90.9	41%	0.411	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-83.5	153.5	178	62.9	172.1	-176	79.4	-5.2	111.3	D91 Q706 L707 A708	R85-D91 IonicContact CZ-OD1 2.73Å; R85-D91 IonicContact CZ-OD2 3.7Å; R85-D91 IonicContact NH1-OD1 2.85Å; R85-D91 IonicContact NH1-OD2 2.72Å; R85-D91 PolarHBondContact NH1-OD2 3.07Å; R85-D91 VanDerWaalsContact NH2-CG 3.29Å; R85-D91 IonicContact NH2-OD1 3.22Å; R85-D91 PolarHBondContact NH2-OD1 3.36Å; R85-D91 IonicContact NH2-OD2 3.92Å; R85-D91 PolarHBondContact NH2-OD2 3.4Å; R85-Q706 PolarHBondContact N-O 3.06Å; R85-L707 HydrophobicContact CG-CD2 3.78Å; R85-L707 VanDerWaalsContact CZ-CD2 3.45Å; R85-L707 CarbonylContact O-C 3.28Å; R85-L707 WeakPolarHBondContact O-CA 3.39Å; R85-A708 PolarHBondContact O-N 3.47Å
86	R	91.9	Very high	74.2	Confident	82 Å²	82	88.5 Å²	88.5	31%	0.309	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61.3	153.7	168	-64.1	-179.6	-178.6	-100.9	12.8	111.1	A708 S772 S775	R86-A708 HydrophobicContact CG-CB 4.4Å; R86-S772 VanDerWaalsContact CD-O 3.23Å; R86-S772 WeakPolarHBondContact CD-O 3.32Å; R86-S772 VanDerWaalsContact CG-O 3.25Å; R86-S772 WeakPolarHBondContact CG-O 3.3Å; R86-S772 PolarHBondContact NH1-O 3.38Å; R86-S775 PolarHBondContact NH1-OG 2.89Å
87	M	92.6	Very high	76.3	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-75.6	139.7	-175.5	-66.8	-180	121.9	0	0	112	I92 L97 L707 V764 W768 S772 Q773	M87-I92 HydrophobicContact CB-CD1 4.43Å; M87-I92 HydrophobicContact SD-CD1 4.37Å; M87-L97 HydrophobicContact CE-CD1 3.61Å; M87-L707 HydrophobicContact CE-CD1 3.83Å; M87-L707 HydrophobicContact CG-CD1 4.44Å; M87-V764 HydrophobicContact CE-CG1 4Å; M87-W768 HydrophobicContact CE-CE3 3.82Å; M87-W768 HydrophobicContact CE-CZ3 4.46Å; M87-W768 HydrophobicContact SD-CB 3.91Å; M87-W768 HydrophobicContact SD-CE3 4.06Å; M87-S772 WeakPolarHBondContact CG-OG 3.44Å; M87-S772 PolarHBondContact N-OG 3.5Å; M87-Q773 WeakPolarHBondContact O-CB 3.23Å; M87-Q773 PolarHBondContact O-OE1 2.92Å
88	L	91.7	Very high	78.7	Confident	78 Å²	78	76.5 Å²	76.5	41%	0.408	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-102.4	155.9	176.6	-61.5	174.8	0	0	0	110	S90 D91	L88-S90 PolarHBondContact O-N 3.1Å; L88-D91 PolarHBondContact N-OD2 3.02Å; L88-D91 WeakPolarHBondContact O-CB 3.43Å; L88-D91 PolarHBondContact O-N 2.82Å
89	P	87.7	Confident	81	Confident	43 Å²	43	72.9 Å²	72.9	28%	0.279	36%	0.363	S	S	.	.	H	α-helix	trans	-56	-30.8	177.9	-25.5	35.4	0	0	0	113.1	D91 I92 L93 Y769	P89-D91 VanDerWaalsContact C-N 3.29Å; P89-D91 PolarHBondContact O-N 3.48Å; P89-I92 PolarHBondContact O-N 2.99Å; P89-L93 HydrophobicContact CB-CD1 4.36Å; P89-L93 WeakPolarHBondContact O-CB 3.45Å; P89-L93 WeakPolarHBondContact O-CG 3.5Å; P89-L93 PolarHBondContact O-N 2.89Å; P89-Y769 HydrophobicContact CG-CD2 4.39Å; P89-Y769 HydrophobicContact CG-CE2 3.71Å
90	S	89.3	Confident	83.2	Confident	75 Å²	75	77.8 Å²	77.8	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-64.7	-24.4	175.1	53	0	0	0	0	114.8	L88 I92 G94	L88-S90 PolarHBondContact O-N 3.1Å; S90-I92 VanDerWaalsContact C-N 3.31Å; S90-G94 WeakPolarHBondContact O-CA 3.46Å; S90-G94 PolarHBondContact O-N 3.27Å; S90-G94 VanDerWaalsContact O-N 3.11Å
91	D	90.9	Very high	85	Confident	18 Å²	18	76.3 Å²	76.3	10%	0.096	36%	0.364	C	S	.	.	H	α-helix	trans	-75.6	-24.2	179.6	-62.1	-43.2	0	0	0	112.3	R85 L88 P89 L97	R85-D91 IonicContact CZ-OD1 2.73Å; R85-D91 IonicContact CZ-OD2 3.7Å; R85-D91 IonicContact NH1-OD1 2.85Å; R85-D91 IonicContact NH1-OD2 2.72Å; R85-D91 PolarHBondContact NH1-OD2 3.07Å; R85-D91 VanDerWaalsContact NH2-CG 3.29Å; R85-D91 IonicContact NH2-OD1 3.22Å; R85-D91 PolarHBondContact NH2-OD1 3.36Å; R85-D91 IonicContact NH2-OD2 3.92Å; R85-D91 PolarHBondContact NH2-OD2 3.4Å; L88-D91 PolarHBondContact N-OD2 3.02Å; L88-D91 WeakPolarHBondContact O-CB 3.43Å; L88-D91 PolarHBondContact O-N 2.82Å; P89-D91 VanDerWaalsContact C-N 3.29Å; P89-D91 PolarHBondContact O-N 3.48Å; D91-L97 HydrophobicContact CB-CD1 3.89Å
92	I	90.8	Very high	86.6	Confident	13 Å²	13	69.3 Å²	69.3	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-104.7	-42.5	-172.5	-75.1	154.6	0	0	0	111.3	M87 P89 S90 G94 V764 D765	M87-I92 HydrophobicContact CB-CD1 4.43Å; M87-I92 HydrophobicContact SD-CD1 4.37Å; P89-I92 PolarHBondContact O-N 2.99Å; S90-I92 VanDerWaalsContact C-N 3.31Å; I92-G94 PolarHBondContact O-N 3.39Å; I92-V764 HydrophobicContact CG1-CG1 3.82Å; I92-D765 WeakPolarHBondContact CD1-O 3.43Å; I92-D765 VanDerWaalsContact CG2-C 3.47Å
93	L	88.4	Confident	87.3	Confident	65 Å²	65	70.5 Å²	70.5	34%	0.34	35%	0.346	S	S	.	.	H	α-helix	trans	-66.6	-22	166.7	-63.8	167.8	0	0	0	111.6	P89 L949 Y953	P89-L93 HydrophobicContact CB-CD1 4.36Å; P89-L93 WeakPolarHBondContact O-CB 3.45Å; P89-L93 WeakPolarHBondContact O-CG 3.5Å; P89-L93 PolarHBondContact O-N 2.89Å; L93-L949 HydrophobicContact CD2-CB 4.37Å; L93-L949 HydrophobicContact CD2-CD2 3.98Å; L93-L949 HydrophobicContact CD2-CG 4.11Å; L93-Y953 HydrophobicContact CD2-CD2 4.03Å; L93-Y953 HydrophobicContact CD2-CE2 3.8Å
94	G	84.1	Confident	88.1	Confident	21 Å²	21	61.5 Å²	61.5	22%	0.216	31%	0.313	C	S	.	.	S	Bend	trans	-79.8	135.6	176.5	0	0	0	0	0	113	S90 I92 S96	S90-G94 WeakPolarHBondContact O-CA 3.46Å; S90-G94 PolarHBondContact O-N 3.27Å; S90-G94 VanDerWaalsContact O-N 3.11Å; I92-G94 PolarHBondContact O-N 3.39Å; G94-S96 PolarHBondContact O-N 2.66Å
95	R	81.9	Confident	88.4	Confident	230 Å²	230	62.6 Å²	62.6	87%	0.868	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	26.8	171.6	-59	-178.9	179.4	178.4	-1.5	113.4
96	S	86.1	Confident	88.2	Confident	47 Å²	47	58.4 Å²	58.4	33%	0.329	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-31.6	-172.2	54	0	0	0	0	113.6	G94 R703	G94-S96 PolarHBondContact O-N 2.66Å; S96-R703 PolarHBondContact O-NH1 3.04Å
97	L	90.9	Very high	87.9	Confident	5 Å²	5	56 Å²	56	3%	0.026	29%	0.292	C	S	.	.	S	Bend	trans	-99.9	-11.3	172.4	-61	-175.4	0	0	0	113.2	M87 D91 W99 L700 R703 L704 L707 V764	M87-L97 HydrophobicContact CE-CD1 3.61Å; D91-L97 HydrophobicContact CB-CD1 3.89Å; L97-W99 PolarHBondContact O-N 2.67Å; L97-L700 HydrophobicContact CB-CD1 4.45Å; L97-L700 HydrophobicContact CD2-CD1 4.32Å; L97-L700 VanDerWaalsContact O-CD1 3.24Å; L97-L700 WeakPolarHBondContact O-CD1 3.41Å; L97-R703 HydrophobicContact CD2-CB 3.84Å; L97-L704 HydrophobicContact CD2-CD2 4.3Å; L97-L707 HydrophobicContact CD1-CD1 3.58Å; L97-L707 HydrophobicContact CD2-CD1 4.08Å; L97-L707 HydrophobicContact CG-CD1 4.47Å; L97-V764 HydrophobicContact CB-CB 4.49Å; L97-V764 HydrophobicContact CB-CG1 4.19Å; L97-V764 HydrophobicContact CD1-CG1 4.09Å
98	Q	89.8	Confident	87.5	Confident	64 Å²	64	58.5 Å²	58.5	30%	0.299	31%	0.306	S	S	.	.	S	Bend	trans	-70.8	128.1	177.6	-61.2	-58.9	-12.6	0	0	111.3	V764	Q98-V764 PolarHBondContact NE2-O 2.77Å
99	W	90.1	Very high	87.3	Confident	43 Å²	43	55.2 Å²	55.2	16%	0.163	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.1	133.9	171.8	175.9	-114.4	0	0	0	110.4	L97 P678 V680 N695 L700	L97-W99 PolarHBondContact O-N 2.67Å; W99-P678 HydrophobicContact CB-CG 4.11Å; W99-P678 HydrophobicContact CD2-CB 3.5Å; W99-P678 HydrophobicContact CD2-CG 4.01Å; W99-P678 HydrophobicContact CE3-CB 3.83Å; W99-P678 HydrophobicContact CE3-CG 4.43Å; W99-P678 HydrophobicContact CG-CB 3.84Å; W99-P678 HydrophobicContact CG-CG 3.85Å; W99-P678 HydrophobicContact CH2-CB 4.19Å; W99-P678 HydrophobicContact CZ2-CB 3.93Å; W99-P678 HydrophobicContact CZ3-CB 4.15Å; W99-V680 HydrophobicContact CH2-CG2 4.01Å; W99-V680 HydrophobicContact CZ2-CG2 3.62Å; W99-N695 HydrophobicContact CH2-CB 4.49Å; W99-N695 VanDerWaalsContact CH2-ND2 3.3Å; W99-N695 WeakPolarHBondContact CH2-ND2 3.5Å; W99-L700 HydrophobicContact CB-CD2 4.38Å; W99-L700 HydrophobicContact CE3-CD2 4.07Å
100	K	86.4	Confident	87.4	Confident	165 Å²	165	60.3 Å²	60.3	72%	0.717	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-91.9	118	169.4	-66.6	-171.8	178.5	-173.2	0	107.9
101	P	85.2	Confident	87.5	Confident	74 Å²	74	58.9 Å²	58.9	48%	0.481	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-53.2	150.8	176.6	-25	34	0	0	0	111.8	N103	P101-N103 PolarHBondContact O-N 2.86Å
102	F	88.1	Confident	87.6	Confident	32 Å²	32	58 Å²	58	14%	0.14	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-57.6	125.9	174.2	-177.3	-111	0	0	0	109.8	L112 Y114 V669 E671 V680 L694	F102-L112 HydrophobicContact CE1-CD1 4.32Å; F102-L112 HydrophobicContact CZ-CD1 4.48Å; F102-L112 HydrophobicContact CZ-CD2 4.12Å; F102-Y114 HydrophobicContact CE2-CD2 4.26Å; F102-Y114 HydrophobicContact CZ-CG 4.46Å; F102-V669 HydrophobicContact CD1-CG1 3.97Å; F102-V669 HydrophobicContact CE1-CG1 4Å; F102-V669 HydrophobicContact CE1-CG2 4.18Å; F102-E671 VanDerWaalsContact CB-CD 3.42Å; F102-E671 HydrophobicContact CB-CG 3.77Å; F102-E671 VanDerWaalsContact CB-OE2 3.31Å; F102-E671 WeakPolarHBondContact CB-OE2 3.49Å; F102-E671 PolarHBondContact N-OE2 3.2Å; F102-V680 HydrophobicContact CB-CG1 4.22Å; F102-V680 HydrophobicContact CB-CG2 4.28Å; F102-V680 HydrophobicContact CD2-CG1 3.85Å; F102-V680 HydrophobicContact CD2-CG2 4.44Å; F102-V680 HydrophobicContact CE2-CG1 4.37Å; F102-V680 HydrophobicContact CG-CG1 3.98Å; F102-L694 HydrophobicContact CE2-CB 4.31Å; F102-L694 HydrophobicContact CE2-CD1 4.16Å; F102-L694 HydrophobicContact CZ-CD1 4.02Å
103	N	81.4	Confident	87.7	Confident	81 Å²	81	57.7 Å²	57.7	43%	0.433	28%	0.284	S	S	.	.			trans	-114.3	80.2	179.2	-168.1	2.1	0	0	0	108.6	P101 R115 F148	P101-N103 PolarHBondContact O-N 2.86Å; N103-R115 PolarHBondContact O-N 2.9Å; N103-F148 WeakPolarHBondContact ND2-CE1 3.41Å
104	G	86.3	Confident	87.9	Confident	6 Å²	6	55 Å²	55	6%	0.062	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	159.6	177.2	0	0	0	0	0	111.4	I113 Q660	G104-I113 CarbonylContact C-O 3.4Å; G104-I113 WeakPolarHBondContact CA-O 3.06Å; G104-Q660 PolarHBondContact O-OE1 3.15Å
105	T	89.6	Confident	88.1	Confident	64 Å²	64	57 Å²	57	39%	0.393	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.7	-174.2	51	0	0	0	0	111.1	S107 I113	T105-S107 PolarHBondContact O-N 2.92Å; T105-I113 PolarHBondContact N-O 3.02Å; T105-I113 WeakPolarHBondContact O-CB 3.43Å; T105-I113 PolarHBondContact O-N 3.34Å
106	W	89.6	Confident	88.2	Confident	20 Å²	20	46.9 Å²	46.9	8%	0.076	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	119.3	174.4	-67	102.4	0	0	0	110.9	L112 M126 Q660 F661 Q663 Y667 V669 L682	W106-L112 HydrophobicContact CD2-CB 4.46Å; W106-L112 HydrophobicContact CD2-CD1 4.01Å; W106-L112 HydrophobicContact CE3-CB 4.06Å; W106-L112 HydrophobicContact CE3-CD1 4.45Å; W106-L112 HydrophobicContact CG-CD1 4.25Å; W106-L112 HydrophobicContact CH2-CB 4.49Å; W106-L112 HydrophobicContact CZ3-CB 4.08Å; W106-M126 HydrophobicContact CH2-CE 3.63Å; W106-M126 HydrophobicContact CH2-CG 4.19Å; W106-M126 HydrophobicContact CZ3-CE 3.6Å; W106-M126 HydrophobicContact CZ3-CG 3.95Å; W106-Q660 PolarHBondContact NE1-O 3.5Å; W106-F661 PolarHBondContact NE1-O 2.93Å; W106-Q663 PolarHBondContact O-NE2 2.95Å; W106-Y667 HydrophobicContact CH2-CG 4.35Å; W106-V669 HydrophobicContact CZ2-CG2 4.02Å; W106-L682 HydrophobicContact CH2-CD1 3.76Å; W106-L682 HydrophobicContact CZ2-CD1 4.06Å
107	S	85.8	Confident	87.9	Confident	32 Å²	32	50.3 Å²	50.3	22%	0.224	25%	0.254	C	S	.	.	S	Bend	trans	-82.3	-28.3	173.3	54.6	0	0	0	0	112.3	T105 E111 Q154 Q663	T105-S107 PolarHBondContact O-N 2.92Å; S107-E111 PolarHBondContact N-O 2.85Å; S107-E111 WeakPolarHBondContact OG-CB 3.35Å; S107-E111 PolarHBondContact OG-O 2.75Å; S107-Q154 PolarHBondContact OG-NE2 2.87Å; S107-Q663 VanDerWaalsContact C-NE2 3.28Å; S107-Q663 PolarHBondContact O-NE2 3.4Å
108	N	84.4	Confident	87.6	Confident	52 Å²	52	55 Å²	55	28%	0.278	28%	0.283	S	S	.	.	S	Bend	trans	-155.6	-166.8	170.7	56.9	62.8	0	0	0	109.9	R110 E111	N108-R110 PolarHBondContact O-N 2.76Å; N108-R110 PolarHBondContact OD1-N 2.92Å; N108-E111 PolarHBondContact ND2-OE2 3.4Å; N108-E111 PolarHBondContact OD1-N 3.09Å
109	G	86.4	Confident	87.2	Confident	10 Å²	10	52.6 Å²	52.6	10%	0.103	28%	0.276	C	S	.	.	S	Bend	trans	-61	-21.3	178	0	0	0	0	0	115.7	S662 D664 S666	G109-S662 WeakPolarHBondContact O-CB 3.36Å; G109-D664 VanDerWaalsContact CA-CG 3.43Å; G109-D664 VanDerWaalsContact CA-OD1 3.29Å; G109-D664 WeakPolarHBondContact CA-OD1 3.27Å; G109-D664 WeakPolarHBondContact CA-OD2 3.37Å; G109-S666 PolarHBondContact O-OG 2.77Å
110	R	89.9	Confident	87.1	Confident	149 Å²	149	50.6 Å²	50.6	56%	0.562	27%	0.269	S	S	*	.	S	Bend	trans	-132.4	2.7	-168.8	-60	-176.3	-178.1	-168.9	-2.8	115	N108 M126	N108-R110 PolarHBondContact O-N 2.76Å; N108-R110 PolarHBondContact OD1-N 2.92Å; R110-M126 WeakPolarHBondContact O-CG 3.42Å; R110-M126 PolarHBondContact O-N 3.45Å
111	E	91.9	Very high	87.3	Confident	46 Å²	46	42.8 Å²	42.8	22%	0.215	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.2	179.2	-72.1	-175.5	136.5	0	0	110.6	S107 N108 I123 L124 Q154	S107-E111 PolarHBondContact N-O 2.85Å; S107-E111 WeakPolarHBondContact OG-CB 3.35Å; S107-E111 PolarHBondContact OG-O 2.75Å; N108-E111 PolarHBondContact ND2-OE2 3.4Å; N108-E111 PolarHBondContact OD1-N 3.09Å; E111-I123 HydrophobicContact CB-CG2 3.81Å; E111-I123 HydrophobicContact CG-CG2 3.95Å; E111-L124 WeakPolarHBondContact CA-O 3.45Å; E111-Q154 PolarHBondContact OE2-NE2 2.88Å
112	L	92.9	Very high	87.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114	177.9	177.7	64.1	0	0	0	109.2	F102 W106 I123 L124 M126 V669 L694	F102-L112 HydrophobicContact CE1-CD1 4.32Å; F102-L112 HydrophobicContact CZ-CD1 4.48Å; F102-L112 HydrophobicContact CZ-CD2 4.12Å; W106-L112 HydrophobicContact CD2-CB 4.46Å; W106-L112 HydrophobicContact CD2-CD1 4.01Å; W106-L112 HydrophobicContact CE3-CB 4.06Å; W106-L112 HydrophobicContact CE3-CD1 4.45Å; W106-L112 HydrophobicContact CG-CD1 4.25Å; W106-L112 HydrophobicContact CH2-CB 4.49Å; W106-L112 HydrophobicContact CZ3-CB 4.08Å; L112-I123 CarbonylContact O-C 3.58Å; L112-I123 WeakPolarHBondContact O-CA 3.31Å; L112-L124 PolarHBondContact N-O 3.33Å; L112-L124 PolarHBondContact O-N 3.25Å; L112-M126 HydrophobicContact CB-CE 3.27Å; L112-M126 HydrophobicContact CD2-CE 3.91Å; L112-M126 HydrophobicContact CG-CE 4.25Å; L112-V669 HydrophobicContact CD1-CG2 4.15Å; L112-V669 HydrophobicContact CD2-CG2 3.73Å; L112-L694 HydrophobicContact CD2-CD1 3.86Å; L112-L694 HydrophobicContact CD2-CD2 4.17Å
113	I	92.3	Very high	87.9	Confident	6 Å²	6	38 Å²	38	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.4	169.3	-63.3	158.4	0	0	0	107.7	G104 T105 L121 S122 I123 F148 V150	G104-I113 CarbonylContact C-O 3.4Å; G104-I113 WeakPolarHBondContact CA-O 3.06Å; T105-I113 PolarHBondContact N-O 3.02Å; T105-I113 WeakPolarHBondContact O-CB 3.43Å; T105-I113 PolarHBondContact O-N 3.34Å; I113-L121 HydrophobicContact CG2-CD1 3.65Å; I113-S122 CarbonylContact C-O 3.59Å; I113-S122 WeakPolarHBondContact CA-O 3.36Å; I113-I123 HydrophobicContact CG1-CD1 4.46Å; I113-I123 HydrophobicContact CG1-CG1 3.71Å; I113-F148 HydrophobicContact CG2-CE2 4.04Å; I113-V150 HydrophobicContact CD1-CB 3.81Å; I113-V150 HydrophobicContact CD1-CG1 4.09Å; I113-V150 HydrophobicContact CD1-CG2 4Å; I113-V150 HydrophobicContact CG2-CG2 3.83Å
114	Y	92.3	Very high	88.4	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	165	176.7	76.1	-61.5	0	0	0	112.7	F102 D116 S122 L124 L694	F102-Y114 HydrophobicContact CE2-CD2 4.26Å; F102-Y114 HydrophobicContact CZ-CG 4.46Å; Y114-D116 HydrophobicContact CE2-CB 4.31Å; Y114-D116 PolarHBondContact O-N 3.31Å; Y114-S122 WeakPolarHBondContact CD1-O 3.26Å; Y114-S122 PolarHBondContact N-O 3.41Å; Y114-S122 PolarHBondContact O-N 3.35Å; Y114-L124 HydrophobicContact CD1-CB 4.38Å; Y114-L124 HydrophobicContact CE1-CB 3.84Å; Y114-L694 HydrophobicContact CD2-CD2 4.28Å; Y114-L694 HydrophobicContact CE2-CD2 4.11Å
115	R	88.6	Confident	88.7	Confident	63 Å²	63	35.8 Å²	35.8	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112	168.5	-62.4	-73.6	-79.4	145.3	-0.4	108.9	N103 G119 G120 F140 F148	N103-R115 PolarHBondContact O-N 2.9Å; R115-G119 VanDerWaalsContact CZ-O 3.24Å; R115-G119 PolarHBondContact NH1-O 3.1Å; R115-G119 PolarHBondContact NH2-O 3.11Å; R115-G119 VanDerWaalsContact NH2-O 3.1Å; R115-G120 WeakPolarHBondContact CA-O 3.25Å; R115-G120 PolarHBondContact NH1-O 3.5Å; R115-F140 VanDerWaalsContact NH2-CE1 3.33Å; R115-F148 HydrophobicContact CG-CE1 3.55Å; R115-F148 HydrophobicContact CG-CZ 4.02Å
116	D	84.1	Confident	88.7	Confident	18 Å²	18	33.2 Å²	33.2	10%	0.096	18%	0.177	C	C	.	.			trans	-73.6	165.5	-178	62.6	64.6	0	0	0	112.8	Y114 T118 G119 G120 S122	Y114-D116 HydrophobicContact CE2-CB 4.31Å; Y114-D116 PolarHBondContact O-N 3.31Å; D116-T118 PolarHBondContact O-N 3.07Å; D116-T118 VanDerWaalsContact O-N 3.1Å; D116-T118 WeakPolarHBondContact OD1-CA 3.15Å; D116-T118 VanDerWaalsContact OD1-CB 3.32Å; D116-T118 WeakPolarHBondContact OD1-CB 3.4Å; D116-T118 PolarHBondContact OD1-N 2.7Å; D116-T118 PolarHBondContact OD1-OG1 3.47Å; D116-G119 WeakPolarHBondContact O-CA 3.35Å; D116-G119 PolarHBondContact O-N 2.93Å; D116-G119 PolarHBondContact OD1-N 2.87Å; D116-G120 PolarHBondContact N-O 3.16Å; D116-G120 PolarHBondContact OD1-N 3.11Å; D116-G120 WeakPolarHBondContact OD2-CA 3.29Å; D116-G120 PolarHBondContact OD2-N 3.38Å; D116-S122 PolarHBondContact OD2-OG 3.35Å
117	P	80.4	Confident	88.6	Confident	119 Å²	119	35.7 Å²	35.7	77%	0.773	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.5	-179	-26.7	36.5	0	0	0	115.3	G119	P117-G119 PolarHBondContact O-N 2.87Å
118	T	83.4	Confident	88.7	Confident	103 Å²	103	38.4 Å²	38.4	63%	0.632	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.9	174.1	81.8	0	0	0	0	112.4	D116 G120 N137	D116-T118 PolarHBondContact O-N 3.07Å; D116-T118 VanDerWaalsContact O-N 3.1Å; D116-T118 WeakPolarHBondContact OD1-CA 3.15Å; D116-T118 VanDerWaalsContact OD1-CB 3.32Å; D116-T118 WeakPolarHBondContact OD1-CB 3.4Å; D116-T118 PolarHBondContact OD1-N 2.7Å; D116-T118 PolarHBondContact OD1-OG1 3.47Å; T118-G120 PolarHBondContact OG1-N 3.3Å; T118-N137 PolarHBondContact O-ND2 2.91Å
119	G	81.8	Confident	88.8	Confident	15 Å²	15	38.7 Å²	38.7	16%	0.155	22%	0.215	C	C	.	.	S	Bend	trans	79.9	20.4	-170.2	0	0	0	0	0	113.3	R115 D116 P117 N137	R115-G119 VanDerWaalsContact CZ-O 3.24Å; R115-G119 PolarHBondContact NH1-O 3.1Å; R115-G119 PolarHBondContact NH2-O 3.11Å; R115-G119 VanDerWaalsContact NH2-O 3.1Å; D116-G119 WeakPolarHBondContact O-CA 3.35Å; D116-G119 PolarHBondContact O-N 2.93Å; D116-G119 PolarHBondContact OD1-N 2.87Å; P117-G119 PolarHBondContact O-N 2.87Å; G119-N137 VanDerWaalsContact O-CA 3.23Å; G119-N137 WeakPolarHBondContact O-CA 3.48Å; G119-N137 WeakPolarHBondContact O-CB 3.35Å; G119-N137 VanDerWaalsContact O-CG 3.25Å; G119-N137 PolarHBondContact O-OD1 3.47Å
120	G	87.4	Confident	88.9	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.01	23%	0.233	C	C	.	.			trans	-79.6	179.3	166.3	0	0	0	0	0	112.2	R115 D116 T118 M135	R115-G120 WeakPolarHBondContact CA-O 3.25Å; R115-G120 PolarHBondContact NH1-O 3.5Å; D116-G120 PolarHBondContact N-O 3.16Å; D116-G120 PolarHBondContact OD1-N 3.11Å; D116-G120 WeakPolarHBondContact OD2-CA 3.29Å; D116-G120 PolarHBondContact OD2-N 3.38Å; T118-G120 PolarHBondContact OG1-N 3.3Å; G120-M135 CarbonylContact C-O 3.58Å; G120-M135 WeakPolarHBondContact CA-O 3.48Å
121	L	91.6	Very high	88.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.8	167.7	175.6	63	0	0	0	106.8	I113 L134 M135 F148 V150 V157	I113-L121 HydrophobicContact CG2-CD1 3.65Å; L121-L134 HydrophobicContact CD2-CB 4.46Å; L121-L134 HydrophobicContact CD2-CD1 4.43Å; L121-L134 HydrophobicContact CG-CB 4.27Å; L121-L134 HydrophobicContact CG-CD1 4.29Å; L121-L134 WeakPolarHBondContact O-CA 3.47Å; L121-L134 WeakPolarHBondContact O-CB 3.18Å; L121-L134 PolarHBondContact O-N 2.9Å; L121-M135 HydrophobicContact CB-CB 4.15Å; L121-M135 PolarHBondContact N-O 3.32Å; L121-M135 PolarHBondContact O-N 2.87Å; L121-M135 VanDerWaalsContact O-N 3.12Å; L121-F148 HydrophobicContact CD1-CD2 3.73Å; L121-F148 HydrophobicContact CD1-CE1 4.25Å; L121-F148 HydrophobicContact CD1-CE2 3.33Å; L121-F148 HydrophobicContact CD1-CG 4.35Å; L121-F148 HydrophobicContact CD1-CZ 3.64Å; L121-F148 HydrophobicContact CD2-CD2 3.85Å; L121-F148 HydrophobicContact CD2-CE2 4.33Å; L121-F148 HydrophobicContact CD2-CG 4.24Å; L121-F148 HydrophobicContact CG-CD2 4.47Å; L121-F148 HydrophobicContact CG-CE2 4.48Å; L121-V150 HydrophobicContact CD2-CG2 4.07Å; L121-V157 HydrophobicContact CD2-CG1 3.76Å; L121-V157 HydrophobicContact CD2-CG2 4.05Å
122	S	92.4	Very high	88.9	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.2	-169.8	-67.2	0	0	0	0	111.5	I113 Y114 D116 R132	I113-S122 CarbonylContact C-O 3.59Å; I113-S122 WeakPolarHBondContact CA-O 3.36Å; Y114-S122 WeakPolarHBondContact CD1-O 3.26Å; Y114-S122 PolarHBondContact N-O 3.41Å; Y114-S122 PolarHBondContact O-N 3.35Å; D116-S122 PolarHBondContact OD2-OG 3.35Å; S122-R132 CarbonylContact C-O 3.53Å; S122-R132 WeakPolarHBondContact CA-O 3.3Å
123	I	92.7	Very high	88.8	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.7	168.1	-68.3	159.5	0	0	0	108.4	E111 L112 I113 T131 R132 L134 Q154	E111-I123 HydrophobicContact CB-CG2 3.81Å; E111-I123 HydrophobicContact CG-CG2 3.95Å; L112-I123 CarbonylContact O-C 3.58Å; L112-I123 WeakPolarHBondContact O-CA 3.31Å; I113-I123 HydrophobicContact CG1-CD1 4.46Å; I113-I123 HydrophobicContact CG1-CG1 3.71Å; I123-T131 CarbonylContact O-C 3.59Å; I123-T131 VanDerWaalsContact O-CA 3.23Å; I123-T131 WeakPolarHBondContact O-CA 3.4Å; I123-R132 VanDerWaalsContact CD1-NH2 3.34Å; I123-R132 PolarHBondContact N-O 3Å; I123-R132 PolarHBondContact O-N 2.99Å; I123-L134 HydrophobicContact CD1-CD1 3.9Å; I123-L134 HydrophobicContact CD1-CD2 3.86Å; I123-L134 HydrophobicContact CD1-CG 4.01Å; I123-L134 HydrophobicContact CG1-CD1 3.97Å; I123-L134 HydrophobicContact CG1-CG 4.24Å; I123-Q154 HydrophobicContact CD1-CG 4.44Å; I123-Q154 VanDerWaalsContact CD1-OE1 3.25Å
124	L	92.6	Very high	88.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.2	165.7	176.2	61.6	0	0	0	109.5	E111 L112 Y114 M126 L129 T131 L682 Y692 L694	E111-L124 WeakPolarHBondContact CA-O 3.45Å; L112-L124 PolarHBondContact N-O 3.33Å; L112-L124 PolarHBondContact O-N 3.25Å; Y114-L124 HydrophobicContact CD1-CB 4.38Å; Y114-L124 HydrophobicContact CE1-CB 3.84Å; L124-M126 HydrophobicContact CB-CE 4.28Å; L124-M126 HydrophobicContact CD2-CE 3.96Å; L124-M126 HydrophobicContact CD2-SD 4.09Å; L124-M126 HydrophobicContact CG-CE 3.96Å; L124-M126 HydrophobicContact CG-SD 3.97Å; L124-L129 HydrophobicContact CD1-CB 4.46Å; L124-L129 WeakPolarHBondContact CD1-O 3.32Å; L124-T131 HydrophobicContact CB-CG2 4.44Å; L124-T131 HydrophobicContact CD1-CG2 3.87Å; L124-L682 HydrophobicContact CD2-CD2 4.4Å; L124-Y692 HydrophobicContact CD2-CD1 4.14Å; L124-Y692 HydrophobicContact CD2-CE1 4.26Å; L124-L694 HydrophobicContact CD2-CD2 4.01Å
125	N	92.6	Very high	88.6	Confident	41 Å²	41	46.1 Å²	46.1	22%	0.219	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.8	175.1	176.7	7	0	0	0	110.5	A127 D128 L129 T130	N125-A127 VanDerWaalsContact C-N 3.28Å; N125-A127 PolarHBondContact O-N 3.46Å; N125-A127 WeakPolarHBondContact OD1-CB 3.28Å; N125-A127 PolarHBondContact OD1-N 3.22Å; N125-D128 PolarHBondContact ND2-OD1 3.21Å; N125-D128 PolarHBondContact ND2-OD2 3.25Å; N125-L129 WeakPolarHBondContact O-CA 3.31Å; N125-L129 PolarHBondContact O-N 2.79Å; N125-T130 PolarHBondContact N-O 2.76Å
126	M	90.3	Very high	88.6	Confident	9 Å²	9	46 Å²	46	4%	0.044	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.5	-176.5	-52.9	-44.1	167.9	0	0	114.2	W106 R110 L112 L124 Y667 L682	W106-M126 HydrophobicContact CH2-CE 3.63Å; W106-M126 HydrophobicContact CH2-CG 4.19Å; W106-M126 HydrophobicContact CZ3-CE 3.6Å; W106-M126 HydrophobicContact CZ3-CG 3.95Å; R110-M126 WeakPolarHBondContact O-CG 3.42Å; R110-M126 PolarHBondContact O-N 3.45Å; L112-M126 HydrophobicContact CB-CE 3.27Å; L112-M126 HydrophobicContact CD2-CE 3.91Å; L112-M126 HydrophobicContact CG-CE 4.25Å; L124-M126 HydrophobicContact CB-CE 4.28Å; L124-M126 HydrophobicContact CD2-CE 3.96Å; L124-M126 HydrophobicContact CD2-SD 4.09Å; L124-M126 HydrophobicContact CG-CE 3.96Å; L124-M126 HydrophobicContact CG-SD 3.97Å; M126-Y667 HydrophobicContact CB-CD2 3.91Å; M126-Y667 HydrophobicContact CB-CE1 4.43Å; M126-Y667 HydrophobicContact CB-CE2 3.5Å; M126-Y667 HydrophobicContact CG-CD2 3.95Å; M126-Y667 HydrophobicContact CG-CE2 4.08Å; M126-Y667 HydrophobicContact CG-CG 4.34Å; M126-L682 HydrophobicContact CE-CD1 3.88Å; M126-L682 HydrophobicContact CE-CD2 4.01Å; M126-L682 HydrophobicContact SD-CD1 4.07Å; M126-L682 HydrophobicContact SD-CD2 3.34Å; M126-L682 WeakPolarHBondContact SD-CD2 3.49Å; M126-L682 HydrophobicContact SD-CG 4.35Å
127	A	86.8	Confident	88.9	Confident	72 Å²	72	46.9 Å²	46.9	60%	0.595	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-27	178	0	0	0	0	0	113.8	N125	N125-A127 VanDerWaalsContact C-N 3.28Å; N125-A127 PolarHBondContact O-N 3.46Å; N125-A127 WeakPolarHBondContact OD1-CB 3.28Å; N125-A127 PolarHBondContact OD1-N 3.22Å
128	D	87.3	Confident	89.2	Confident	89 Å²	89	45 Å²	45	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	0.3	-175.5	58	20.9	0	0	0	114	N125 T130	N125-D128 PolarHBondContact ND2-OD1 3.21Å; N125-D128 PolarHBondContact ND2-OD2 3.25Å; D128-T130 HydrophobicContact CB-CG2 4.11Å; D128-T130 VanDerWaalsContact CG-OG1 3.25Å; D128-T130 PolarHBondContact O-N 2.69Å; D128-T130 VanDerWaalsContact OD1-CB 3.3Å; D128-T130 WeakPolarHBondContact OD1-CB 3.39Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.25Å; D128-T130 PolarHBondContact OD1-N 2.65Å; D128-T130 PolarHBondContact OD1-OG1 2.85Å; D128-T130 PolarHBondContact OD2-OG1 2.68Å
129	L	86.8	Confident	89.3	Confident	59 Å²	59	41.5 Å²	41.5	31%	0.309	24%	0.242	S	C	.	.			trans	55.6	23.3	-174.3	-58.5	175.8	0	0	0	114.1	L124 N125 L682 Y692	L124-L129 HydrophobicContact CD1-CB 4.46Å; L124-L129 WeakPolarHBondContact CD1-O 3.32Å; N125-L129 WeakPolarHBondContact O-CA 3.31Å; N125-L129 PolarHBondContact O-N 2.79Å; L129-L682 HydrophobicContact CD2-CD2 4.3Å; L129-Y692 HydrophobicContact CD1-CD2 4.42Å
130	T	90	Very high	89.5	Confident	76 Å²	76	41.8 Å²	41.8	47%	0.466	24%	0.238	S	C	.	.			trans	-81.1	149.3	175.1	65.7	0	0	0	0	111.9	N125 D128	N125-T130 PolarHBondContact N-O 2.76Å; D128-T130 HydrophobicContact CB-CG2 4.11Å; D128-T130 VanDerWaalsContact CG-OG1 3.25Å; D128-T130 PolarHBondContact O-N 2.69Å; D128-T130 VanDerWaalsContact OD1-CB 3.3Å; D128-T130 WeakPolarHBondContact OD1-CB 3.39Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.25Å; D128-T130 PolarHBondContact OD1-N 2.65Å; D128-T130 PolarHBondContact OD1-OG1 2.85Å; D128-T130 PolarHBondContact OD2-OG1 2.68Å
131	T	89.9	Confident	89.5	Confident	75 Å²	75	50.3 Å²	50.3	46%	0.46	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	179.9	53.7	0	0	0	0	112.5	I123 L124	I123-T131 CarbonylContact O-C 3.59Å; I123-T131 VanDerWaalsContact O-CA 3.23Å; I123-T131 WeakPolarHBondContact O-CA 3.4Å; L124-T131 HydrophobicContact CB-CG2 4.44Å; L124-T131 HydrophobicContact CD1-CG2 3.87Å
132	R	91.2	Very high	89.3	Confident	109 Å²	109	57.9 Å²	57.9	41%	0.411	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.6	174.9	-175.6	173.5	79.1	85.2	-11.7	110.4	S122 I123 L134	S122-R132 CarbonylContact C-O 3.53Å; S122-R132 WeakPolarHBondContact CA-O 3.3Å; I123-R132 VanDerWaalsContact CD1-NH2 3.34Å; I123-R132 PolarHBondContact N-O 3Å; I123-R132 PolarHBondContact O-N 2.99Å; R132-L134 PolarHBondContact O-N 3.35Å
133	I	90.3	Very high	88.8	Confident	105 Å²	105	59.9 Å²	59.9	54%	0.538	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.9	176.3	-56.3	172.9	0	0	0	109.6
134	L	90.3	Very high	88.5	Confident	6 Å²	6	65 Å²	65	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-38.2	169.8	-67.3	177.1	0	0	0	111.8	L121 I123 R132 V150 V175	L121-L134 HydrophobicContact CD2-CB 4.46Å; L121-L134 HydrophobicContact CD2-CD1 4.43Å; L121-L134 HydrophobicContact CG-CB 4.27Å; L121-L134 HydrophobicContact CG-CD1 4.29Å; L121-L134 WeakPolarHBondContact O-CA 3.47Å; L121-L134 WeakPolarHBondContact O-CB 3.18Å; L121-L134 PolarHBondContact O-N 2.9Å; I123-L134 HydrophobicContact CD1-CD1 3.9Å; I123-L134 HydrophobicContact CD1-CD2 3.86Å; I123-L134 HydrophobicContact CD1-CG 4.01Å; I123-L134 HydrophobicContact CG1-CD1 3.97Å; I123-L134 HydrophobicContact CG1-CG 4.24Å; R132-L134 PolarHBondContact O-N 3.35Å; L134-V150 HydrophobicContact CD1-CG1 4.13Å; L134-V150 HydrophobicContact CD1-CG2 4.09Å; L134-V175 HydrophobicContact CD2-CG1 4.03Å; L134-V175 HydrophobicContact CD2-CG2 4.37Å
135	M	90	Very high	88.2	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	141.9	-175.6	-161	173.8	118.7	0	0	111	G120 L121 T139 F140 L159 Y173	G120-M135 CarbonylContact C-O 3.58Å; G120-M135 WeakPolarHBondContact CA-O 3.48Å; L121-M135 HydrophobicContact CB-CB 4.15Å; L121-M135 PolarHBondContact N-O 3.32Å; L121-M135 PolarHBondContact O-N 2.87Å; L121-M135 VanDerWaalsContact O-N 3.12Å; M135-T139 HydrophobicContact CE-CG2 4.02Å; M135-T139 HydrophobicContact CG-CG2 4Å; M135-T139 HydrophobicContact SD-CG2 4.25Å; M135-F140 HydrophobicContact CE-CB 3.73Å; M135-F140 HydrophobicContact CE-CD2 3.75Å; M135-F140 HydrophobicContact CE-CG 4.16Å; M135-L159 HydrophobicContact CE-CD1 3.67Å; M135-L159 HydrophobicContact CE-CD2 3.83Å; M135-L159 HydrophobicContact CE-CG 4.42Å; M135-L159 HydrophobicContact SD-CD1 3.89Å; M135-L159 HydrophobicContact SD-CD2 4.07Å; M135-Y173 HydrophobicContact CB-CE1 4.12Å; M135-Y173 HydrophobicContact CG-CD1 4.19Å; M135-Y173 HydrophobicContact CG-CE1 3.73Å; M135-Y173 HydrophobicContact SD-CD1 3.68Å; M135-Y173 HydrophobicContact SD-CD2 4.39Å; M135-Y173 HydrophobicContact SD-CE1 3.87Å; M135-Y173 HydrophobicContact SD-CG 3.96Å
136	T	89.7	Confident	87.9	Confident	62 Å²	62	68.4 Å²	68.4	38%	0.38	36%	0.36	S	S	.	.			trans	-86.9	159.9	-176.5	65.7	0	0	0	0	112.6	S138 T139 F140	T136-S138 VanDerWaalsContact C-N 3.26Å; T136-S138 PolarHBondContact O-N 2.7Å; T136-S138 PolarHBondContact OG1-OG 3.34Å; T136-T139 PolarHBondContact O-N 3.14Å; T136-T139 PolarHBondContact OG1-N 3.42Å; T136-T139 PolarHBondContact OG1-OG1 3.09Å; T136-T139 VanDerWaalsContact OG1-OG1 3.07Å; T136-F140 PolarHBondContact O-N 2.92Å
137	N	89.1	Confident	87.7	Confident	35 Å²	35	69.6 Å²	69.6	19%	0.187	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-34.1	175	-165	-0.7	0	0	0	112.4	T118 G119 F140 R141	T118-N137 PolarHBondContact O-ND2 2.91Å; G119-N137 VanDerWaalsContact O-CA 3.23Å; G119-N137 WeakPolarHBondContact O-CA 3.48Å; G119-N137 WeakPolarHBondContact O-CB 3.35Å; G119-N137 VanDerWaalsContact O-CG 3.25Å; G119-N137 PolarHBondContact O-OD1 3.47Å; N137-F140 PolarHBondContact O-N 2.78Å; N137-R141 PolarHBondContact ND2-NH2 2.7Å; N137-R141 WeakPolarHBondContact O-CB 3.4Å; N137-R141 VanDerWaalsContact O-CG 3.28Å; N137-R141 WeakPolarHBondContact O-CG 3.3Å; N137-R141 PolarHBondContact O-N 2.78Å; N137-R141 PolarHBondContact OD1-NE 2.77Å
138	S	87.1	Confident	87.8	Confident	81 Å²	81	66.7 Å²	66.7	57%	0.566	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-47.9	176	41.5	0	0	0	0	111.5	T136 F140 R141 Q142	T136-S138 VanDerWaalsContact C-N 3.26Å; T136-S138 PolarHBondContact O-N 2.7Å; T136-S138 PolarHBondContact OG1-OG 3.34Å; S138-F140 VanDerWaalsContact C-N 3.34Å; S138-F140 PolarHBondContact O-N 2.9Å; S138-R141 PolarHBondContact O-N 3Å; S138-Q142 VanDerWaalsContact O-CB 3.27Å; S138-Q142 WeakPolarHBondContact O-CB 3.48Å; S138-Q142 PolarHBondContact O-N 3.41Å
139	T	85.3	Confident	87.9	Confident	29 Å²	29	66.2 Å²	66.2	18%	0.178	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-41.5	175.1	-49.6	0	0	0	0	111.7	M135 T136 R141 Q142 L143 Y173	M135-T139 HydrophobicContact CE-CG2 4.02Å; M135-T139 HydrophobicContact CG-CG2 4Å; M135-T139 HydrophobicContact SD-CG2 4.25Å; T136-T139 PolarHBondContact O-N 3.14Å; T136-T139 PolarHBondContact OG1-N 3.42Å; T136-T139 PolarHBondContact OG1-OG1 3.09Å; T136-T139 VanDerWaalsContact OG1-OG1 3.07Å; T139-R141 VanDerWaalsContact C-N 3.34Å; T139-R141 PolarHBondContact O-N 2.87Å; T139-Q142 PolarHBondContact O-N 3.35Å; T139-L143 HydrophobicContact CG2-CD1 4.03Å; T139-L143 PolarHBondContact O-N 3.48Å; T139-L143 VanDerWaalsContact O-N 3.15Å; T139-Y173 HydrophobicContact CG2-CD2 4.39Å; T139-Y173 HydrophobicContact CG2-CE2 3.88Å
140	F	86.1	Confident	88	Confident	20 Å²	20	64.4 Å²	64.4	9%	0.088	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-40.6	178.3	-163.8	-86.3	0	0	0	112.4	R115 M135 T136 N137 S138 A145 F148 L159	R115-F140 VanDerWaalsContact NH2-CE1 3.33Å; M135-F140 HydrophobicContact CE-CB 3.73Å; M135-F140 HydrophobicContact CE-CD2 3.75Å; M135-F140 HydrophobicContact CE-CG 4.16Å; T136-F140 PolarHBondContact O-N 2.92Å; N137-F140 PolarHBondContact O-N 2.78Å; S138-F140 VanDerWaalsContact C-N 3.34Å; S138-F140 PolarHBondContact O-N 2.9Å; F140-A145 HydrophobicContact CD1-CB 4.08Å; F140-A145 HydrophobicContact CD2-CB 4.02Å; F140-A145 HydrophobicContact CE1-CB 3.91Å; F140-A145 WeakPolarHBondContact CE1-O 3.33Å; F140-A145 HydrophobicContact CE2-CB 3.82Å; F140-A145 HydrophobicContact CG-CB 4.14Å; F140-A145 HydrophobicContact CZ-CB 3.76Å; F140-A145 PolarHBondContact O-N 2.9Å; F140-F148 HydrophobicContact CE2-CB 4.48Å; F140-F148 HydrophobicContact CE2-CD1 4.16Å; F140-L159 HydrophobicContact CD2-CD2 4.5Å; F140-L159 HydrophobicContact CE2-CD2 4.45Å
141	R	87.6	Confident	88	Confident	180 Å²	180	60.9 Å²	60.9	68%	0.679	31%	0.31	S	S	*	.	H	α-helix	trans	-74.1	-38.7	175.6	-69.4	173.9	-173.1	-153.9	-4.8	112.9	N137 S138 T139 L143 N144	N137-R141 PolarHBondContact ND2-NH2 2.7Å; N137-R141 WeakPolarHBondContact O-CB 3.4Å; N137-R141 VanDerWaalsContact O-CG 3.28Å; N137-R141 WeakPolarHBondContact O-CG 3.3Å; N137-R141 PolarHBondContact O-N 2.78Å; N137-R141 PolarHBondContact OD1-NE 2.77Å; S138-R141 PolarHBondContact O-N 3Å; T139-R141 VanDerWaalsContact C-N 3.34Å; T139-R141 PolarHBondContact O-N 2.87Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 2.74Å; R141-N144 PolarHBondContact O-N 2.87Å
142	Q	87.3	Confident	87.7	Confident	159 Å²	159	59.4 Å²	59.4	74%	0.743	30%	0.302	S	S	*	.	H	α-helix	trans	-61.5	-36.2	179.9	-179.8	179.7	-5.2	0	0	112.1	S138 T139 N144	S138-Q142 VanDerWaalsContact O-CB 3.27Å; S138-Q142 WeakPolarHBondContact O-CB 3.48Å; S138-Q142 PolarHBondContact O-N 3.41Å; T139-Q142 PolarHBondContact O-N 3.35Å; Q142-N144 VanDerWaalsContact C-N 3.28Å
143	L	82.3	Confident	87.4	Confident	45 Å²	45	54.9 Å²	54.9	24%	0.236	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.2	176.6	-60.2	172.3	0	0	0	113.1	T139 R141 A145 L159 T180	T139-L143 HydrophobicContact CG2-CD1 4.03Å; T139-L143 PolarHBondContact O-N 3.48Å; T139-L143 VanDerWaalsContact O-N 3.15Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 2.74Å; L143-A145 PolarHBondContact O-N 3.3Å; L143-L159 HydrophobicContact CD1-CD1 3.46Å; L143-L159 VanDerWaalsContact CD1-CD1 3.46Å; L143-T180 HydrophobicContact CD1-CG2 3.73Å; L143-T180 HydrophobicContact CD2-CG2 4.14Å
144	N	87.1	Confident	87.3	Confident	112 Å²	112	51.4 Å²	51.4	60%	0.599	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	42.6	-174.8	-164.9	47.5	0	0	0	113.4	R141 Q142 S161	R141-N144 PolarHBondContact O-N 2.87Å; Q142-N144 VanDerWaalsContact C-N 3.28Å; N144-S161 WeakPolarHBondContact O-CB 3.4Å
145	A	85.9	Confident	87.2	Confident	13 Å²	13	55 Å²	55	11%	0.107	28%	0.283	C	S	.	.			trans	-71.3	136.3	-175.7	0	0	0	0	0	111.5	F140 L143 L159 Q160	F140-A145 HydrophobicContact CD1-CB 4.08Å; F140-A145 HydrophobicContact CD2-CB 4.02Å; F140-A145 HydrophobicContact CE1-CB 3.91Å; F140-A145 WeakPolarHBondContact CE1-O 3.33Å; F140-A145 HydrophobicContact CE2-CB 3.82Å; F140-A145 HydrophobicContact CG-CB 4.14Å; F140-A145 HydrophobicContact CZ-CB 3.76Å; F140-A145 PolarHBondContact O-N 2.9Å; L143-A145 PolarHBondContact O-N 3.3Å; A145-L159 HydrophobicContact CB-CB 4.36Å; A145-L159 HydrophobicContact CB-CD2 4.24Å; A145-Q160 CarbonylContact C-O 3.55Å; A145-Q160 WeakPolarHBondContact CA-O 3.36Å
146	E	86.1	Confident	87.3	Confident	99 Å²	99	55.1 Å²	55.1	46%	0.463	28%	0.283	S	S	.	.	S	Bend	trans	-100.7	-41.1	176.2	-65.9	169.3	-168.7	0	0	110.6	Q160 D162 S163	E146-Q160 PolarHBondContact N-O 3Å; E146-D162 PolarHBondContact OE1-N 2.67Å; E146-S163 WeakPolarHBondContact OE2-CB 3.34Å; E146-S163 PolarHBondContact OE2-OG 3.08Å
147	S	86.1	Confident	87.5	Confident	34 Å²	34	52.2 Å²	52.2	24%	0.238	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	166.7	-177.8	117.2	0	0	0	0	111	Q160	S147-Q160 VanDerWaalsContact CB-OE1 3.31Å; S147-Q160 PolarHBondContact N-O 2.92Å; S147-Q160 PolarHBondContact O-N 2.8Å; S147-Q160 WeakPolarHBondContact OG-CB 3.27Å; S147-Q160 PolarHBondContact OG-OE1 3.36Å
148	F	89.6	Confident	87.6	Confident	11 Å²	11	50.7 Å²	50.7	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.2	177.8	66.8	-84.4	0	0	0	111.6	N103 I113 R115 L121 F140 V150 V157 L158 L159	N103-F148 WeakPolarHBondContact ND2-CE1 3.41Å; I113-F148 HydrophobicContact CG2-CE2 4.04Å; R115-F148 HydrophobicContact CG-CE1 3.55Å; R115-F148 HydrophobicContact CG-CZ 4.02Å; L121-F148 HydrophobicContact CD1-CD2 3.73Å; L121-F148 HydrophobicContact CD1-CE1 4.25Å; L121-F148 HydrophobicContact CD1-CE2 3.33Å; L121-F148 HydrophobicContact CD1-CG 4.35Å; L121-F148 HydrophobicContact CD1-CZ 3.64Å; L121-F148 HydrophobicContact CD2-CD2 3.85Å; L121-F148 HydrophobicContact CD2-CE2 4.33Å; L121-F148 HydrophobicContact CD2-CG 4.24Å; L121-F148 HydrophobicContact CG-CD2 4.47Å; L121-F148 HydrophobicContact CG-CE2 4.48Å; F140-F148 HydrophobicContact CE2-CB 4.48Å; F140-F148 HydrophobicContact CE2-CD1 4.16Å; F148-V150 HydrophobicContact CD2-CG2 4.22Å; F148-V157 HydrophobicContact CB-CG1 4.03Å; F148-L158 CarbonylContact C-O 3.49Å; F148-L158 WeakPolarHBondContact CA-O 3.44Å; F148-L159 HydrophobicContact CB-CD2 3.99Å
149	L	88.2	Confident	87.8	Confident	78 Å²	78	47 Å²	47	41%	0.408	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.2	167.4	-65	175.5	0	0	0	109.4	L158 W200	L149-L158 HydrophobicContact CB-CB 4.31Å; L149-L158 HydrophobicContact CB-CD2 4.47Å; L149-L158 HydrophobicContact CD1-CD2 4.33Å; L149-L158 PolarHBondContact N-O 2.9Å; L149-L158 WeakPolarHBondContact O-CB 3.39Å; L149-L158 PolarHBondContact O-N 2.92Å; L149-W200 PolarHBondContact O-NE1 2.03Å
150	V	89.3	Confident	88.1	Confident	21 Å²	21	48 Å²	48	13%	0.127	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138	178.7	-172.5	0	0	0	0	110	I113 L121 L134 F148 V157	I113-V150 HydrophobicContact CD1-CB 3.81Å; I113-V150 HydrophobicContact CD1-CG1 4.09Å; I113-V150 HydrophobicContact CD1-CG2 4Å; I113-V150 HydrophobicContact CG2-CG2 3.83Å; L121-V150 HydrophobicContact CD2-CG2 4.07Å; L134-V150 HydrophobicContact CD1-CG1 4.13Å; L134-V150 HydrophobicContact CD1-CG2 4.09Å; F148-V150 HydrophobicContact CD2-CG2 4.22Å; V150-V157 HydrophobicContact CG1-CG2 4.48Å; V150-V157 HydrophobicContact CG2-CG1 4.38Å; V150-V157 HydrophobicContact CG2-CG2 4.23Å
151	A	88.9	Confident	88.4	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	23%	0.234	C	C	.	.			trans	-66.4	151.2	174.8	0	0	0	0	0	111.4	D153 Q154 Y156 W200	A151-D153 PolarHBondContact O-N 3.37Å; A151-D153 VanDerWaalsContact O-N 3.08Å; A151-Q154 PolarHBondContact O-N 2.84Å; A151-Y156 PolarHBondContact N-O 2.88Å; A151-W200 HydrophobicContact CB-CD2 3.89Å; A151-W200 HydrophobicContact CB-CE3 3.9Å; A151-W200 HydrophobicContact CB-CH2 3.89Å; A151-W200 HydrophobicContact CB-CZ2 3.85Å; A151-W200 HydrophobicContact CB-CZ3 3.91Å
152	P	84.3	Confident	88.5	Confident	44 Å²	44	41.9 Å²	41.9	29%	0.286	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.4	-177.3	-17.3	27.4	0	0	0	114.3	Q154 A201 A203	P152-Q154 VanDerWaalsContact C-N 3.3Å; P152-A201 WeakPolarHBondContact CG-O 3.4Å; P152-A203 HydrophobicContact CB-CB 3.72Å
153	D	84.4	Confident	88.4	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.08	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.2	175.7	88.5	-24	0	0	0	114.5	A151 K155 L273 Q275	A151-D153 PolarHBondContact O-N 3.37Å; A151-D153 VanDerWaalsContact O-N 3.08Å; D153-K155 PolarHBondContact O-N 3.39Å; D153-K155 WeakPolarHBondContact OD1-CB 3.46Å; D153-K155 PolarHBondContact OD1-N 2.94Å; D153-K155 WeakPolarHBondContact OD2-CD 3.47Å; D153-K155 WeakPolarHBondContact OD2-CG 3.07Å; D153-K155 IonicContact OD2-NZ 3.32Å; D153-K155 PolarHBondContact OD2-NZ 2.86Å; D153-L273 HydrophobicContact CB-CB 3.68Å; D153-L273 HydrophobicContact CB-CD1 4.09Å; D153-L273 HydrophobicContact CB-CG 4.48Å; D153-Q275 PolarHBondContact OD2-NE2 2.96Å
154	Q	88.6	Confident	88.4	Confident	31 Å²	31	37.8 Å²	37.8	15%	0.145	20%	0.204	C	C	.	.	S	Bend	trans	56.6	13.9	-178.8	-51.8	179.7	6.6	0	0	115.6	S107 E111 I123 A151 P152	S107-Q154 PolarHBondContact OG-NE2 2.87Å; E111-Q154 PolarHBondContact OE2-NE2 2.88Å; I123-Q154 HydrophobicContact CD1-CG 4.44Å; I123-Q154 VanDerWaalsContact CD1-OE1 3.25Å; A151-Q154 PolarHBondContact O-N 2.84Å; P152-Q154 VanDerWaalsContact C-N 3.3Å
155	K	89.4	Confident	87.7	Confident	82 Å²	82	37.9 Å²	37.9	36%	0.357	22%	0.22	S	C	.	.	S	Bend	trans	-90.8	-23	177	-56.7	-168.6	-159.9	95.2	0	113.2	D153 V175	D153-K155 PolarHBondContact O-N 3.39Å; D153-K155 WeakPolarHBondContact OD1-CB 3.46Å; D153-K155 PolarHBondContact OD1-N 2.94Å; D153-K155 WeakPolarHBondContact OD2-CD 3.47Å; D153-K155 WeakPolarHBondContact OD2-CG 3.07Å; D153-K155 IonicContact OD2-NZ 3.32Å; D153-K155 PolarHBondContact OD2-NZ 2.86Å; K155-V175 WeakPolarHBondContact O-CB 3.43Å; K155-V175 WeakPolarHBondContact O-CG2 3.32Å; K155-V175 PolarHBondContact O-N 2.81Å
156	Y	91.6	Very high	87.1	Confident	5 Å²	5	43.3 Å²	43.3	2%	0.02	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.9	-176.9	-58.6	-78.2	0	0	0	112.4	A151 V172 Y173 E174 Q275 V291 Q292	A151-Y156 PolarHBondContact N-O 2.88Å; Y156-V172 HydrophobicContact CD1-CG1 3.83Å; Y156-V172 HydrophobicContact CG-CG1 4.13Å; Y156-Y173 CarbonylContact C-O 3.55Å; Y156-Y173 VanDerWaalsContact CA-O 3.26Å; Y156-Y173 WeakPolarHBondContact CA-O 3.41Å; Y156-E174 HydrophobicContact CD1-CB 4Å; Y156-E174 HydrophobicContact CD1-CG 4.31Å; Y156-E174 HydrophobicContact CE1-CB 3.89Å; Y156-E174 HydrophobicContact CE1-CG 3.88Å; Y156-Q275 HydrophobicContact CE2-CG 4.47Å; Y156-V291 HydrophobicContact CD1-CB 4.4Å; Y156-V291 HydrophobicContact CD1-CG1 3.93Å; Y156-V291 HydrophobicContact CD1-CG2 4.31Å; Y156-V291 HydrophobicContact CD2-CB 4.43Å; Y156-V291 HydrophobicContact CD2-CG2 3.88Å; Y156-V291 HydrophobicContact CE1-CB 4.04Å; Y156-V291 HydrophobicContact CE1-CG1 3.65Å; Y156-V291 HydrophobicContact CE1-CG2 4.39Å; Y156-V291 HydrophobicContact CE2-CB 4.07Å; Y156-V291 HydrophobicContact CE2-CG2 3.97Å; Y156-V291 HydrophobicContact CG-CG1 4.49Å; Y156-V291 HydrophobicContact CG-CG2 4.04Å; Y156-Q292 WeakPolarHBondContact OH-CG 3.17Å; Y156-Q292 PolarHBondContact OH-NE2 3.42Å; Y156-Q292 PolarHBondContact OH-OE1 2.74Å
157	V	92.5	Very high	87	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.5	170.7	-173.8	0	0	0	0	107.9	L121 F148 V150 L159 Y173 V175	L121-V157 HydrophobicContact CD2-CG1 3.76Å; L121-V157 HydrophobicContact CD2-CG2 4.05Å; F148-V157 HydrophobicContact CB-CG1 4.03Å; V150-V157 HydrophobicContact CG1-CG2 4.48Å; V150-V157 HydrophobicContact CG2-CG1 4.38Å; V150-V157 HydrophobicContact CG2-CG2 4.23Å; V157-L159 HydrophobicContact CG1-CD2 3.77Å; V157-L159 HydrophobicContact CG1-CG 4.32Å; V157-Y173 HydrophobicContact CB-CD1 4.31Å; V157-Y173 HydrophobicContact CG2-CD1 4.33Å; V157-Y173 PolarHBondContact N-O 3.15Å; V157-Y173 PolarHBondContact O-N 3.05Å; V157-V175 HydrophobicContact CG2-CG2 3.85Å
158	L	91.9	Very high	87.3	Confident	4 Å²	4	38 Å²	38	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.7	165.8	-174.1	74.3	0	0	0	108.1	F148 L149 H170 V172 L183 V198 W200	F148-L158 CarbonylContact C-O 3.49Å; F148-L158 WeakPolarHBondContact CA-O 3.44Å; L149-L158 HydrophobicContact CB-CB 4.31Å; L149-L158 HydrophobicContact CB-CD2 4.47Å; L149-L158 HydrophobicContact CD1-CD2 4.33Å; L149-L158 PolarHBondContact N-O 2.9Å; L149-L158 WeakPolarHBondContact O-CB 3.39Å; L149-L158 PolarHBondContact O-N 2.92Å; L158-H170 HydrophobicContact CD1-CB 4.16Å; L158-V172 HydrophobicContact CD1-CG2 3.91Å; L158-L183 HydrophobicContact CD1-CD2 4.06Å; L158-V198 HydrophobicContact CD1-CG1 4.41Å; L158-V198 HydrophobicContact CD2-CB 3.99Å; L158-V198 HydrophobicContact CD2-CG1 3.47Å; L158-V198 VanDerWaalsContact CD2-CG1 3.47Å; L158-W200 HydrophobicContact CB-CZ2 3.89Å
159	L	92.3	Very high	87.4	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.1	178.6	-61	172.5	0	0	0	109.1	M135 F140 L143 A145 F148 V157 H170 H171	M135-L159 HydrophobicContact CE-CD1 3.67Å; M135-L159 HydrophobicContact CE-CD2 3.83Å; M135-L159 HydrophobicContact CE-CG 4.42Å; M135-L159 HydrophobicContact SD-CD1 3.89Å; M135-L159 HydrophobicContact SD-CD2 4.07Å; F140-L159 HydrophobicContact CD2-CD2 4.5Å; F140-L159 HydrophobicContact CE2-CD2 4.45Å; L143-L159 HydrophobicContact CD1-CD1 3.46Å; L143-L159 VanDerWaalsContact CD1-CD1 3.46Å; A145-L159 HydrophobicContact CB-CB 4.36Å; A145-L159 HydrophobicContact CB-CD2 4.24Å; F148-L159 HydrophobicContact CB-CD2 3.99Å; V157-L159 HydrophobicContact CG1-CD2 3.77Å; V157-L159 HydrophobicContact CG1-CG 4.32Å; L159-H170 WeakPolarHBondContact O-CA 3.48Å; L159-H171 PolarHBondContact N-O 2.95Å; L159-H171 PolarHBondContact O-N 3.48Å
160	Q	91.7	Very high	87.6	Confident	50 Å²	50	36.9 Å²	36.9	23%	0.234	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.1	177	-177.1	-172.6	-15.8	0	0	109.5	A145 E146 S147 S163 S168 R169	A145-Q160 CarbonylContact C-O 3.55Å; A145-Q160 WeakPolarHBondContact CA-O 3.36Å; E146-Q160 PolarHBondContact N-O 3Å; S147-Q160 VanDerWaalsContact CB-OE1 3.31Å; S147-Q160 PolarHBondContact N-O 2.92Å; S147-Q160 PolarHBondContact O-N 2.8Å; S147-Q160 WeakPolarHBondContact OG-CB 3.27Å; S147-Q160 PolarHBondContact OG-OE1 3.36Å; Q160-S163 PolarHBondContact NE2-OG 3.47Å; Q160-S168 WeakPolarHBondContact CG-OG 3.39Å; Q160-S168 PolarHBondContact NE2-OG 3.28Å; Q160-R169 WeakPolarHBondContact CA-O 3.34Å
161	S	91.9	Very high	87.8	Confident	12 Å²	12	38 Å²	38	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.6	173.8	56.4	0	0	0	0	111.8	N144 R169	N144-S161 WeakPolarHBondContact O-CB 3.4Å; S161-R169 PolarHBondContact N-O 2.8Å; S161-R169 WeakPolarHBondContact O-CB 3.14Å; S161-R169 PolarHBondContact O-N 2.83Å
162	D	88.9	Confident	87.9	Confident	59 Å²	59	38.1 Å²	38.1	32%	0.316	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.9	63.2	178.4	-179.1	9.3	0	0	0	111.2	E146 R169 R194	E146-D162 PolarHBondContact OE1-N 2.67Å; D162-R169 HydrophobicContact CB-CG 4.2Å; D162-R169 WeakPolarHBondContact OD2-CD 3.36Å; D162-R169 IonicContact OD2-CZ 2.77Å; D162-R169 IonicContact OD2-NE 2.65Å; D162-R169 PolarHBondContact OD2-NE 3.48Å; D162-R169 IonicContact OD2-NH2 3.36Å; D162-R194 PolarHBondContact O-NH1 3.15Å; D162-R194 IonicContact OD1-CZ 2.76Å; D162-R194 IonicContact OD1-NH1 3.56Å; D162-R194 PolarHBondContact OD1-NH1 2.81Å; D162-R194 IonicContact OD1-NH2 2.74Å; D162-R194 PolarHBondContact OD1-NH2 2.88Å; D162-R194 IonicContact OD2-CZ 3.36Å; D162-R194 IonicContact OD2-NH2 3.36Å; D162-R194 PolarHBondContact OD2-NH2 3.03Å; D162-R194 VanDerWaalsContact OD2-NH2 3.11Å
163	S	85.4	Confident	88.4	Confident	51 Å²	51	36.8 Å²	36.8	36%	0.357	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.4	-179.9	-53.1	0	0	0	0	112.3	E146 Q160 S168	E146-S163 WeakPolarHBondContact OE2-CB 3.34Å; E146-S163 PolarHBondContact OE2-OG 3.08Å; Q160-S163 PolarHBondContact NE2-OG 3.47Å; S163-S168 WeakPolarHBondContact OG-CB 3.22Å
164	N	81.9	Confident	88.8	Confident	67 Å²	67	37.1 Å²	37.1	36%	0.358	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-173.2	169.3	78	-14.4	0	0	0	110.8	E166 G167 R194	N164-E166 PolarHBondContact ND2-OE2 2.9Å; N164-E166 PolarHBondContact O-N 3.47Å; N164-E166 WeakPolarHBondContact OD1-CB 3.17Å; N164-E166 PolarHBondContact OD1-N 3.29Å; N164-G167 PolarHBondContact N-O 2.97Å; N164-G167 PolarHBondContact O-N 3.27Å; N164-G167 PolarHBondContact OD1-N 2.87Å; N164-G167 PolarHBondContact OD1-O 2.71Å; N164-R194 VanDerWaalsContact CG-CZ 3.41Å; N164-R194 PolarHBondContact ND2-NE 2.76Å; N164-R194 WeakPolarHBondContact OD1-CD 3.25Å; N164-R194 PolarHBondContact OD1-NE 3.41Å; N164-R194 PolarHBondContact OD1-NH1 3.43Å
165	A	72.4	Confident	88.9	Confident	114 Å²	114	37.1 Å²	37.1	94%	0.942	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.2	179.7	0	0	0	0	0	114.4	G167	A165-G167 VanDerWaalsContact C-N 3.34Å
166	E	73.4	Confident	88.9	Confident	128 Å²	128	40.5 Å²	40.5	60%	0.598	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.9	177.8	-52.2	165.8	138.7	0	0	112	N164 R194 Q196	N164-E166 PolarHBondContact ND2-OE2 2.9Å; N164-E166 PolarHBondContact O-N 3.47Å; N164-E166 WeakPolarHBondContact OD1-CB 3.17Å; N164-E166 PolarHBondContact OD1-N 3.29Å; E166-R194 VanDerWaalsContact OE2-CD 3.29Å; E166-R194 WeakPolarHBondContact OE2-CD 3.43Å; E166-R194 IonicContact OE2-NE 2.89Å; E166-R194 PolarHBondContact OE2-NE 2.69Å; E166-Q196 WeakPolarHBondContact O-CG 3.22Å
167	G	85.3	Confident	88.9	Confident	10 Å²	10	43.5 Å²	43.5	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.8	-162.6	-176.8	0	0	0	0	0	112.7	N164 A165 R194 L195	N164-G167 PolarHBondContact N-O 2.97Å; N164-G167 PolarHBondContact O-N 3.27Å; N164-G167 PolarHBondContact OD1-N 2.87Å; N164-G167 PolarHBondContact OD1-O 2.71Å; A165-G167 VanDerWaalsContact C-N 3.34Å; G167-R194 PolarHBondContact O-NH1 3.3Å; G167-L195 WeakPolarHBondContact CA-O 3.26Å
168	S	90.9	Very high	88.7	Confident	10 Å²	10	46.2 Å²	46.2	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.7	-176.6	50.4	0	0	0	0	112.2	Q160 S163 H170 L195	Q160-S168 WeakPolarHBondContact CG-OG 3.39Å; Q160-S168 PolarHBondContact NE2-OG 3.28Å; S163-S168 WeakPolarHBondContact OG-CB 3.22Å; S168-H170 PolarHBondContact O-CE1 2.93Å; S168-H170 PolarHBondContact O-ND1 3.23Å; S168-H170 PolarHBondContact OG-CE1 2.94Å; S168-L195 PolarHBondContact N-O 3.26Å; S168-L195 PolarHBondContact O-N 3.47Å
169	R	92.3	Very high	88.6	Confident	57 Å²	57	49.8 Å²	49.8	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.1	-178.8	-58.4	-178.2	-176.6	-111	28.6	110.1	Q160 S161 D162 E191 A192	Q160-R169 WeakPolarHBondContact CA-O 3.34Å; S161-R169 PolarHBondContact N-O 2.8Å; S161-R169 WeakPolarHBondContact O-CB 3.14Å; S161-R169 PolarHBondContact O-N 2.83Å; D162-R169 HydrophobicContact CB-CG 4.2Å; D162-R169 WeakPolarHBondContact OD2-CD 3.36Å; D162-R169 IonicContact OD2-CZ 2.77Å; D162-R169 IonicContact OD2-NE 2.65Å; D162-R169 PolarHBondContact OD2-NE 3.48Å; D162-R169 IonicContact OD2-NH2 3.36Å; R169-E191 IonicContact CZ-OE1 3.12Å; R169-E191 IonicContact NH1-OE1 2.67Å; R169-E191 PolarHBondContact NH1-OE1 2.67Å; R169-E191 IonicContact NH2-OE1 2.78Å; R169-E191 PolarHBondContact NH2-OE1 3.16Å; R169-A192 HydrophobicContact CB-CB 4.33Å; R169-A192 PolarHBondContact NH1-O 2.79Å
170	H	92.8	Very high	88.5	Confident	10 Å²	10	52.6 Å²	52.6	5%	0.046	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129	-171.5	-74.7	87.3	0	0	0	112	L158 L159 S168 L183 A192 L195	L158-H170 HydrophobicContact CD1-CB 4.16Å; L159-H170 WeakPolarHBondContact O-CA 3.48Å; S168-H170 PolarHBondContact O-CE1 2.93Å; S168-H170 PolarHBondContact O-ND1 3.23Å; S168-H170 PolarHBondContact OG-CE1 2.94Å; H170-L183 HydrophobicContact CB-CB 4.13Å; H170-L183 HydrophobicContact CB-CD2 4.23Å; H170-L183 PolarHBondContact O-N 2.81Å; H170-A192 WeakPolarHBondContact O-CB 3.06Å; H170-L195 HydrophobicContact CB-CD1 4Å
171	H	92.6	Very high	88.4	Confident	44 Å²	44	54 Å²	54	20%	0.204	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.1	177.5	-64	86.6	0	0	0	110	L159 F181	L159-H171 PolarHBondContact N-O 2.95Å; L159-H171 PolarHBondContact O-N 3.48Å; H171-F181 CarbonylContact C-O 3.57Å; H171-F181 WeakPolarHBondContact CA-O 3.47Å
172	V	92.6	Very high	88.4	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.1	174	-172.1	0	0	0	0	108.9	Y156 L158 T180 F181 W200 I277 V291	Y156-V172 HydrophobicContact CD1-CG1 3.83Å; Y156-V172 HydrophobicContact CG-CG1 4.13Å; L158-V172 HydrophobicContact CD1-CG2 3.91Å; V172-T180 WeakPolarHBondContact O-CA 3.29Å; V172-F181 PolarHBondContact N-O 3.42Å; V172-F181 PolarHBondContact O-N 2.91Å; V172-W200 HydrophobicContact CG1-CH2 4.02Å; V172-W200 HydrophobicContact CG1-CZ2 4.37Å; V172-I277 HydrophobicContact CG2-CD1 4.11Å; V172-V291 HydrophobicContact CB-CG1 4.32Å; V172-V291 HydrophobicContact CG1-CG1 3.73Å; V172-V291 HydrophobicContact CG1-CG2 4.26Å
173	Y	93.1	Very high	88.5	Confident	15 Å²	15	52.8 Å²	52.8	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.4	175.1	173.1	-100	0	0	0	110.5	M135 T139 Y156 V157 V175 A178 N179 T180	M135-Y173 HydrophobicContact CB-CE1 4.12Å; M135-Y173 HydrophobicContact CG-CD1 4.19Å; M135-Y173 HydrophobicContact CG-CE1 3.73Å; M135-Y173 HydrophobicContact SD-CD1 3.68Å; M135-Y173 HydrophobicContact SD-CD2 4.39Å; M135-Y173 HydrophobicContact SD-CE1 3.87Å; M135-Y173 HydrophobicContact SD-CG 3.96Å; T139-Y173 HydrophobicContact CG2-CD2 4.39Å; T139-Y173 HydrophobicContact CG2-CE2 3.88Å; Y156-Y173 CarbonylContact C-O 3.55Å; Y156-Y173 VanDerWaalsContact CA-O 3.26Å; Y156-Y173 WeakPolarHBondContact CA-O 3.41Å; V157-Y173 HydrophobicContact CB-CD1 4.31Å; V157-Y173 HydrophobicContact CG2-CD1 4.33Å; V157-Y173 PolarHBondContact N-O 3.15Å; V157-Y173 PolarHBondContact O-N 3.05Å; Y173-V175 HydrophobicContact CD1-CG2 4.26Å; Y173-V175 HydrophobicContact CE1-CG2 4.19Å; Y173-A178 HydrophobicContact CE2-CB 3.88Å; Y173-N179 CarbonylContact C-O 3.55Å; Y173-N179 WeakPolarHBondContact CA-O 3.48Å; Y173-T180 HydrophobicContact CD2-CG2 3.89Å
174	E	93.3	Very high	88.8	Confident	23 Å²	23	50.5 Å²	50.5	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.3	176.8	180	179	-148.3	0	0	110.6	Y156 Q176 T177 A178 N179 F181 Q292	Y156-E174 HydrophobicContact CD1-CB 4Å; Y156-E174 HydrophobicContact CD1-CG 4.31Å; Y156-E174 HydrophobicContact CE1-CB 3.89Å; Y156-E174 HydrophobicContact CE1-CG 3.88Å; E174-Q176 VanDerWaalsContact C-N 3.25Å; E174-Q176 PolarHBondContact O-N 3.01Å; E174-T177 WeakPolarHBondContact CB-OG1 3.32Å; E174-T177 HydrophobicContact CG-CG2 4.27Å; E174-T177 VanDerWaalsContact CG-OG1 3.28Å; E174-T177 WeakPolarHBondContact CG-OG1 3.45Å; E174-T177 PolarHBondContact O-N 3.5Å; E174-T177 WeakPolarHBondContact OE2-CB 3.24Å; E174-T177 VanDerWaalsContact OE2-CG2 3.3Å; E174-T177 WeakPolarHBondContact OE2-CG2 3.38Å; E174-T177 PolarHBondContact OE2-OG1 3.23Å; E174-A178 WeakPolarHBondContact O-CA 3.47Å; E174-A178 PolarHBondContact O-N 3.25Å; E174-N179 HydrophobicContact CB-CB 4.44Å; E174-N179 PolarHBondContact N-O 2.93Å; E174-N179 PolarHBondContact OE2-ND2 3.05Å; E174-F181 HydrophobicContact CB-CE2 4.21Å; E174-Q292 VanDerWaalsContact CD-NE2 3.3Å; E174-Q292 PolarHBondContact OE1-NE2 2.97Å; E174-Q292 PolarHBondContact OE2-NE2 3.47Å
175	V	91	Very high	89.2	Confident	30 Å²	30	48.6 Å²	48.6	18%	0.182	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28	-169.8	174.8	0	0	0	0	113.2	L134 K155 V157 Y173	L134-V175 HydrophobicContact CD2-CG1 4.03Å; L134-V175 HydrophobicContact CD2-CG2 4.37Å; K155-V175 WeakPolarHBondContact O-CB 3.43Å; K155-V175 WeakPolarHBondContact O-CG2 3.32Å; K155-V175 PolarHBondContact O-N 2.81Å; V157-V175 HydrophobicContact CG2-CG2 3.85Å; Y173-V175 HydrophobicContact CD1-CG2 4.26Å; Y173-V175 HydrophobicContact CE1-CG2 4.19Å
176	Q	89.6	Confident	89.9	Confident	153 Å²	153	47.3 Å²	47.3	72%	0.715	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-28.1	-176.7	-63.3	-170.1	-2.3	0	0	114	E174	E174-Q176 VanDerWaalsContact C-N 3.25Å; E174-Q176 PolarHBondContact O-N 3.01Å
177	T	90.9	Very high	90.2	Very high	68 Å²	68	44 Å²	44	42%	0.417	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-16.1	-173.6	59.5	0	0	0	0	112.8	E174 N179	E174-T177 WeakPolarHBondContact CB-OG1 3.32Å; E174-T177 HydrophobicContact CG-CG2 4.27Å; E174-T177 VanDerWaalsContact CG-OG1 3.28Å; E174-T177 WeakPolarHBondContact CG-OG1 3.45Å; E174-T177 PolarHBondContact O-N 3.5Å; E174-T177 WeakPolarHBondContact OE2-CB 3.24Å; E174-T177 VanDerWaalsContact OE2-CG2 3.3Å; E174-T177 WeakPolarHBondContact OE2-CG2 3.38Å; E174-T177 PolarHBondContact OE2-OG1 3.23Å; T177-N179 WeakPolarHBondContact CB-ND2 3.38Å; T177-N179 PolarHBondContact O-N 3.26Å; T177-N179 WeakPolarHBondContact OG1-CB 3.3Å; T177-N179 VanDerWaalsContact OG1-CG 3.32Å; T177-N179 PolarHBondContact OG1-N 2.77Å; T177-N179 VanDerWaalsContact OG1-N 3.12Å; T177-N179 PolarHBondContact OG1-ND2 3.16Å; T177-N179 VanDerWaalsContact OG1-ND2 3.12Å
178	A	88.5	Confident	89.9	Confident	57 Å²	57	50.9 Å²	50.9	47%	0.471	28%	0.276	S	S	.	.			trans	59.8	15.4	-165	0	0	0	0	0	115	Y173 E174	Y173-A178 HydrophobicContact CE2-CB 3.88Å; E174-A178 WeakPolarHBondContact O-CA 3.47Å; E174-A178 PolarHBondContact O-N 3.25Å
179	N	90.6	Very high	89.5	Confident	79 Å²	79	52.4 Å²	52.4	42%	0.422	28%	0.283	S	S	.	.			trans	-68.1	150	174.8	-69.1	-32.8	0	0	0	111.5	Y173 E174 T177 F181	Y173-N179 CarbonylContact C-O 3.55Å; Y173-N179 WeakPolarHBondContact CA-O 3.48Å; E174-N179 HydrophobicContact CB-CB 4.44Å; E174-N179 PolarHBondContact N-O 2.93Å; E174-N179 PolarHBondContact OE2-ND2 3.05Å; T177-N179 WeakPolarHBondContact CB-ND2 3.38Å; T177-N179 PolarHBondContact O-N 3.26Å; T177-N179 WeakPolarHBondContact OG1-CB 3.3Å; T177-N179 VanDerWaalsContact OG1-CG 3.32Å; T177-N179 PolarHBondContact OG1-N 2.77Å; T177-N179 VanDerWaalsContact OG1-N 3.12Å; T177-N179 PolarHBondContact OG1-ND2 3.16Å; T177-N179 VanDerWaalsContact OG1-ND2 3.12Å; N179-F181 HydrophobicContact CB-CE1 4.45Å; N179-F181 HydrophobicContact CB-CE2 3.71Å; N179-F181 HydrophobicContact CB-CZ 3.59Å
180	T	89.7	Confident	89	Confident	63 Å²	63	55 Å²	55	39%	0.387	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132	175.1	52	0	0	0	0	111.2	L143 V172 Y173	L143-T180 HydrophobicContact CD1-CG2 3.73Å; L143-T180 HydrophobicContact CD2-CG2 4.14Å; V172-T180 WeakPolarHBondContact O-CA 3.29Å; Y173-T180 HydrophobicContact CD2-CG2 3.89Å
181	F	89.3	Confident	88.8	Confident	79 Å²	79	60.4 Å²	60.4	35%	0.346	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.6	-179.5	-50.1	-83	0	0	0	110.2	H171 V172 E174 N179	H171-F181 CarbonylContact C-O 3.57Å; H171-F181 WeakPolarHBondContact CA-O 3.47Å; V172-F181 PolarHBondContact N-O 3.42Å; V172-F181 PolarHBondContact O-N 2.91Å; E174-F181 HydrophobicContact CB-CE2 4.21Å; N179-F181 HydrophobicContact CB-CE1 4.45Å; N179-F181 HydrophobicContact CB-CE2 3.71Å; N179-F181 HydrophobicContact CB-CZ 3.59Å
182	P	91.8	Very high	88.6	Confident	42 Å²	42	58.3 Å²	58.3	27%	0.273	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142	173.5	28.5	-34.2	0	0	0	111.1	I189 A192	P182-I189 HydrophobicContact CB-CD1 4.08Å; P182-I189 HydrophobicContact CB-CG1 4.1Å; P182-I189 HydrophobicContact CG-CD1 4.36Å; P182-I189 HydrophobicContact CG-CG1 3.84Å; P182-I189 WeakPolarHBondContact CG-O 3.4Å; P182-A192 HydrophobicContact CB-CB 3.76Å
183	L	92.2	Very high	88.6	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	34%	0.341	C	S	.	.			trans	-100.8	134.7	175	-177.5	66.5	0	0	0	110.3	L158 H170 L195 V198 I277 F279 K288	L158-L183 HydrophobicContact CD1-CD2 4.06Å; H170-L183 HydrophobicContact CB-CB 4.13Å; H170-L183 HydrophobicContact CB-CD2 4.23Å; H170-L183 PolarHBondContact O-N 2.81Å; L183-L195 HydrophobicContact CB-CD1 4.29Å; L183-L195 HydrophobicContact CD2-CD1 3.77Å; L183-L195 HydrophobicContact CG-CD1 3.85Å; L183-V198 HydrophobicContact CD2-CG1 3.75Å; L183-V198 HydrophobicContact CD2-CG2 4.35Å; L183-I277 HydrophobicContact CD1-CD1 4.11Å; L183-I277 HydrophobicContact CD2-CD1 4.43Å; L183-I277 HydrophobicContact CD2-CG2 4.03Å; L183-F279 HydrophobicContact CD1-CD1 4.23Å; L183-F279 HydrophobicContact CD1-CE1 4.02Å; L183-F279 HydrophobicContact CD2-CD1 4.31Å; L183-F279 HydrophobicContact CG-CD1 4.38Å; L183-F279 HydrophobicContact CG-CE1 4.46Å; L183-K288 HydrophobicContact CD1-CD 4.38Å
184	G	91.6	Very high	88.5	Confident	2 Å²	2	61.8 Å²	61.8	2%	0.021	35%	0.349	C	S	.	.	S	Bend	trans	-171.3	179.9	177.1	0	0	0	0	0	113.4	T186 F279	G184-T186 PolarHBondContact O-N 2.75Å; G184-F279 WeakPolarHBondContact O-CZ 3.33Å
185	P	89	Confident	88.4	Confident	28 Å²	28	60.7 Å²	60.7	18%	0.182	34%	0.344	C	S	.	.	S	Bend	trans	-70.9	-10.9	-174	30.7	-36.5	0	0	0	114.1	F279 Y286	P185-F279 HydrophobicContact CB-CE2 4.5Å; P185-Y286 HydrophobicContact CB-CD1 3.85Å; P185-Y286 HydrophobicContact CB-CE1 3.38Å; P185-Y286 HydrophobicContact CB-CE2 4.34Å; P185-Y286 HydrophobicContact CB-CG 4.48Å
186	T	87.5	Confident	88.4	Confident	86 Å²	86	62.4 Å²	62.4	53%	0.528	35%	0.35	S	S	.	.	S	Bend	trans	-139.4	149.7	176.9	52.7	0	0	0	0	109.8	G184 I189	G184-T186 PolarHBondContact O-N 2.75Å; T186-I189 WeakPolarHBondContact O-CG2 3.4Å; T186-I189 WeakPolarHBondContact OG1-CG2 3.25Å
187	E	80.9	Confident	88.4	Confident	59 Å²	59	57.8 Å²	57.8	28%	0.276	33%	0.328	S	S	.	.	S	Bend	trans	-79.6	169.6	176.7	-58.5	-66.9	135	0	0	112.4	I189 K288 V296	E187-I189 PolarHBondContact O-N 3.03Å; E187-I189 VanDerWaalsContact O-N 3.16Å; E187-K288 VanDerWaalsContact OE1-CE 3.23Å; E187-K288 WeakPolarHBondContact OE1-CE 3.4Å; E187-K288 IonicContact OE1-NZ 2.7Å; E187-K288 PolarHBondContact OE1-NZ 3.36Å; E187-K288 IonicContact OE2-NZ 3.1Å; E187-K288 PolarHBondContact OE2-NZ 3.22Å; E187-V296 HydrophobicContact CG-CG2 4.33Å; E187-V296 WeakPolarHBondContact OE1-CG2 3.43Å
188	N	77.5	Confident	88.5	Confident	155 Å²	155	55 Å²	55	83%	0.829	31%	0.311	S	S	*	.	S	Bend	trans	57.5	23.5	179.4	-58.9	-46.9	0	0	0	115
189	I	83.9	Confident	88.6	Confident	41 Å²	41	53.8 Å²	53.8	21%	0.21	30%	0.298	C	S	.	.			trans	-67	137.3	169.3	54.4	178.1	0	0	0	110.8	P182 T186 E187 E191	P182-I189 HydrophobicContact CB-CD1 4.08Å; P182-I189 HydrophobicContact CB-CG1 4.1Å; P182-I189 HydrophobicContact CG-CD1 4.36Å; P182-I189 HydrophobicContact CG-CG1 3.84Å; P182-I189 WeakPolarHBondContact CG-O 3.4Å; T186-I189 WeakPolarHBondContact O-CG2 3.4Å; T186-I189 WeakPolarHBondContact OG1-CG2 3.25Å; E187-I189 PolarHBondContact O-N 3.03Å; E187-I189 VanDerWaalsContact O-N 3.16Å; I189-E191 VanDerWaalsContact C-N 3.33Å
190	A	81.7	Confident	88.6	Confident	113 Å²	113	51.3 Å²	51.3	93%	0.934	28%	0.283	S	S	*	.	S	Bend	trans	-76.7	-21.7	178.8	0	0	0	0	0	113.3
191	E	86.8	Confident	88.5	Confident	122 Å²	122	48.4 Å²	48.4	57%	0.57	27%	0.265	S	S	*	.	S	Bend	trans	-146	139.7	-173.7	-165	-178.8	138.7	0	0	108.5	R169 I189	R169-E191 IonicContact CZ-OE1 3.12Å; R169-E191 IonicContact NH1-OE1 2.67Å; R169-E191 PolarHBondContact NH1-OE1 2.67Å; R169-E191 IonicContact NH2-OE1 2.78Å; R169-E191 PolarHBondContact NH2-OE1 3.16Å; I189-E191 VanDerWaalsContact C-N 3.33Å
192	A	88.9	Confident	88.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-74.2	123.9	179	0	0	0	0	0	110.9	R169 H170 P182	R169-A192 HydrophobicContact CB-CB 4.33Å; R169-A192 PolarHBondContact NH1-O 2.79Å; H170-A192 WeakPolarHBondContact O-CB 3.06Å; P182-A192 HydrophobicContact CB-CB 3.76Å
193	P	92.2	Very high	87.1	Confident	32 Å²	32	46.6 Å²	46.6	21%	0.208	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-66.9	168.2	172.9	29.8	-36.6	0	0	0	111.7	L195	P193-L195 HydrophobicContact CG-CD2 4.2Å; P193-L195 PolarHBondContact O-N 3.11Å
194	R	90.9	Very high	85.1	Confident	61 Å²	61	49.8 Å²	49.8	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.3	168.9	-63.5	-173.7	176.3	-69.9	-12.4	109.2	D162 N164 E166 G167	D162-R194 PolarHBondContact O-NH1 3.15Å; D162-R194 IonicContact OD1-CZ 2.76Å; D162-R194 IonicContact OD1-NH1 3.56Å; D162-R194 PolarHBondContact OD1-NH1 2.81Å; D162-R194 IonicContact OD1-NH2 2.74Å; D162-R194 PolarHBondContact OD1-NH2 2.88Å; D162-R194 IonicContact OD2-CZ 3.36Å; D162-R194 IonicContact OD2-NH2 3.36Å; D162-R194 PolarHBondContact OD2-NH2 3.03Å; D162-R194 VanDerWaalsContact OD2-NH2 3.11Å; N164-R194 VanDerWaalsContact CG-CZ 3.41Å; N164-R194 PolarHBondContact ND2-NE 2.76Å; N164-R194 WeakPolarHBondContact OD1-CD 3.25Å; N164-R194 PolarHBondContact OD1-NE 3.41Å; N164-R194 PolarHBondContact OD1-NH1 3.43Å; E166-R194 VanDerWaalsContact OE2-CD 3.29Å; E166-R194 WeakPolarHBondContact OE2-CD 3.43Å; E166-R194 IonicContact OE2-NE 2.89Å; E166-R194 PolarHBondContact OE2-NE 2.69Å; G167-R194 PolarHBondContact O-NH1 3.3Å
195	L	91.9	Very high	82.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.3	173.1	-53.1	-178.2	0	0	0	108.4	G167 S168 H170 L183 P193 V198 F279 H281	G167-L195 WeakPolarHBondContact CA-O 3.26Å; S168-L195 PolarHBondContact N-O 3.26Å; S168-L195 PolarHBondContact O-N 3.47Å; H170-L195 HydrophobicContact CB-CD1 4Å; L183-L195 HydrophobicContact CB-CD1 4.29Å; L183-L195 HydrophobicContact CD2-CD1 3.77Å; L183-L195 HydrophobicContact CG-CD1 3.85Å; P193-L195 HydrophobicContact CG-CD2 4.2Å; P193-L195 PolarHBondContact O-N 3.11Å; L195-V198 HydrophobicContact CB-CG2 3.89Å; L195-V198 HydrophobicContact CD1-CG2 3.71Å; L195-V198 HydrophobicContact CG-CG2 4.46Å; L195-F279 HydrophobicContact CD1-CB 4.22Å; L195-F279 HydrophobicContact CD1-CD2 4.05Å; L195-F279 HydrophobicContact CD1-CG 4.24Å; L195-F279 HydrophobicContact CD2-CD2 3.91Å; L195-F279 HydrophobicContact CD2-CE2 4.29Å; L195-H281 HydrophobicContact CD2-CB 3.98Å
196	Q	90.7	Very high	79.5	Confident	67 Å²	67	56.2 Å²	56.2	31%	0.313	32%	0.323	S	S	.	.	S	Bend	trans	-77.2	-34.7	-175	-64.9	167	-89.8	0	0	111.5	E166 V280 H282 N283 V319	E166-Q196 WeakPolarHBondContact O-CG 3.22Å; Q196-V280 HydrophobicContact CB-CB 4.37Å; Q196-V280 HydrophobicContact CB-CG1 4.39Å; Q196-V280 PolarHBondContact N-O 3.31Å; Q196-H282 VanDerWaalsContact OE1-N 3.1Å; Q196-N283 PolarHBondContact NE2-OD1 3.43Å; Q196-V319 HydrophobicContact CB-CG1 4.09Å
197	H	90.9	Very high	76.6	Confident	56 Å²	56	56.7 Å²	56.7	26%	0.259	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	148.3	176.3	-172.7	48.4	0	0	0	110.6	F279 V280 V319	H197-F279 CarbonylContact O-C 3.55Å; H197-F279 WeakPolarHBondContact O-CA 3.15Å; H197-F279 WeakPolarHBondContact O-CB 3.44Å; H197-V280 HydrophobicContact CB-CB 4.41Å; H197-V280 HydrophobicContact CB-CG2 4.27Å; H197-V280 PolarHBondContact O-N 2.89Å; H197-V319 HydrophobicContact CB-CG1 3.63Å
198	V	91.6	Very high	74	Confident	8 Å²	8	59.4 Å²	59.4	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135.8	179.3	-171.9	0	0	0	0	110.1	L158 L183 L195 I277 A278 F279	L158-V198 HydrophobicContact CD1-CG1 4.41Å; L158-V198 HydrophobicContact CD2-CB 3.99Å; L158-V198 HydrophobicContact CD2-CG1 3.47Å; L158-V198 VanDerWaalsContact CD2-CG1 3.47Å; L183-V198 HydrophobicContact CD2-CG1 3.75Å; L183-V198 HydrophobicContact CD2-CG2 4.35Å; L195-V198 HydrophobicContact CB-CG2 3.89Å; L195-V198 HydrophobicContact CD1-CG2 3.71Å; L195-V198 HydrophobicContact CG-CG2 4.46Å; V198-I277 HydrophobicContact CG1-CG2 3.57Å; V198-A278 WeakPolarHBondContact CA-O 3.03Å; V198-F279 HydrophobicContact CB-CB 4.3Å; V198-F279 HydrophobicContact CG1-CB 4.16Å; V198-F279 HydrophobicContact CG2-CB 3.86Å
199	V	90.6	Very high	71.7	Confident	32 Å²	32	61 Å²	61	19%	0.194	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.7	177.7	-75.2	0	0	0	0	111.8	I277 A278 M337 F339	V199-I277 WeakPolarHBondContact O-CA 3.04Å; V199-A278 HydrophobicContact CG2-CB 4.11Å; V199-A278 PolarHBondContact N-O 2.94Å; V199-A278 PolarHBondContact O-N 2.84Å; V199-M337 HydrophobicContact CG2-CE 3.98Å; V199-F339 HydrophobicContact CG2-CD2 4.37Å; V199-F339 HydrophobicContact CG2-CE2 3.89Å
200	W	90.8	Very high	69.2	Low	28 Å²	28	62.3 Å²	62.3	11%	0.106	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	144.8	166.8	-68.6	107.4	0	0	0	110.5	L149 A151 L158 V172 I277 V291	L149-W200 PolarHBondContact O-NE1 2.03Å; A151-W200 HydrophobicContact CB-CD2 3.89Å; A151-W200 HydrophobicContact CB-CE3 3.9Å; A151-W200 HydrophobicContact CB-CH2 3.89Å; A151-W200 HydrophobicContact CB-CZ2 3.85Å; A151-W200 HydrophobicContact CB-CZ3 3.91Å; L158-W200 HydrophobicContact CB-CZ2 3.89Å; V172-W200 HydrophobicContact CG1-CH2 4.02Å; V172-W200 HydrophobicContact CG1-CZ2 4.37Å; W200-I277 HydrophobicContact CD2-CG1 4.24Å; W200-I277 HydrophobicContact CE3-CD1 4.27Å; W200-I277 HydrophobicContact CE3-CG1 3.52Å; W200-I277 HydrophobicContact CH2-CD1 3.82Å; W200-I277 HydrophobicContact CH2-CG1 4.02Å; W200-I277 HydrophobicContact CZ3-CD1 3.69Å; W200-I277 HydrophobicContact CZ3-CG1 3.39Å; W200-V291 HydrophobicContact CH2-CG2 3.72Å; W200-V291 HydrophobicContact CZ3-CG2 3.72Å
201	A	88.1	Confident	66.6	Low	1 Å²	1	60.8 Å²	60.8	1%	0.008	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-69.1	146.3	165.2	0	0	0	0	0	110.6	P152 N274 A276 F339	P152-A201 WeakPolarHBondContact CG-O 3.4Å; A201-N274 HydrophobicContact CB-CB 4.49Å; A201-N274 WeakPolarHBondContact CB-ND2 3.29Å; A201-A276 HydrophobicContact CB-CB 3.95Å; A201-A276 PolarHBondContact N-O 3.29Å; A201-F339 HydrophobicContact CB-CD1 4.09Å; A201-F339 HydrophobicContact CB-CD2 4.31Å; A201-F339 HydrophobicContact CB-CE1 3.75Å; A201-F339 HydrophobicContact CB-CE2 3.99Å; A201-F339 HydrophobicContact CB-CG 4.35Å; A201-F339 HydrophobicContact CB-CZ 3.7Å
202	P	83.6	Confident	63.7	Low	42 Å²	42	60.3 Å²	60.3	27%	0.273	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-70.3	162.2	-178.9	27.9	-33.9	0	0	0	112.8	N204 N274 F339 S340	P202-N204 PolarHBondContact O-N 3.39Å; P202-N274 WeakPolarHBondContact O-CB 3.25Å; P202-F339 HydrophobicContact CG-CB 4.13Å; P202-S340 WeakPolarHBondContact CG-O 3.37Å
203	A	66.9	Low	60.8	Low	42 Å²	42	65.9 Å²	65.9	35%	0.347	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-68.2	123.2	172	0	0	0	0	0	110.8	P152 P205 L273	P152-A203 HydrophobicContact CB-CB 3.72Å; A203-P205 WeakPolarHBondContact O-CD 3.47Å; A203-L273 HydrophobicContact CB-CD2 3.84Å
204	N	50.7	Low	57.9	Low	71 Å²	71	70.4 Å²	70.4	38%	0.38	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-54.8	121.3	173.4	-59.1	34.9	0	0	0	110.1	P202 N274	P202-N204 PolarHBondContact O-N 3.39Å; N204-N274 WeakPolarHBondContact OD1-CB 3.34Å; N204-N274 PolarHBondContact OD1-ND2 3.21Å
205	P	36.9	Very low	54.9	Low	72 Å²	72	73 Å²	73	47%	0.468	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-63.9	149.5	173.3	26.6	-33.2	0	0	0	110.1	A203	A203-P205 WeakPolarHBondContact O-CD 3.47Å
206	P	27.1	Very low	51.9	Low	93 Å²	93	76.7 Å²	76.7	60%	0.604	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-62.6	136.5	178.1	26.7	-34	0	0	0	110.1	Y271	P206-Y271 HydrophobicContact CB-CE1 4.33Å
207	P	25.5	Very low	49	Very low	96 Å²	96	78.4 Å²	78.4	62%	0.623	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-62	143.3	177.4	26.6	-34.4	0	0	0	110.2	L209	P207-L209 PolarHBondContact O-N 3.39Å
208	P	27.6	Very low	46	Very low	115 Å²	115	81.3 Å²	81.3	75%	0.747	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-59.3	136.3	-177.5	22.9	-33.2	0	0	0	111.6	G210	P208-G210 PolarHBondContact O-N 3.44Å
209	L	28.3	Very low	42.9	Very low	188 Å²	188	84.8 Å²	84.8	98%	0.984	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	94.1	179.9	-78	167.5	0	0	0	111.2	P207	P207-L209 PolarHBondContact O-N 3.39Å
210	G	32.6	Very low	39.9	Very low	70 Å²	70	88.4 Å²	88.4	72%	0.722	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	164.3	-14.3	-177.6	0	0	0	0	0	116.1	P208 P212	P208-G210 PolarHBondContact O-N 3.44Å; G210-P212 WeakPolarHBondContact O-CD 3.37Å
211	A	25.9	Very low	36.8	Very low	81 Å²	81	93 Å²	93	67%	0.669	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-65.7	120.2	172.6	0	0	0	0	0	110.8
212	P	26.8	Very low	33.8	Very low	112 Å²	112	97 Å²	97	73%	0.727	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-69.6	146.5	174.8	29.7	-34.1	0	0	0	110.3	G210	G210-P212 WeakPolarHBondContact O-CD 3.37Å
213	P	27.7	Very low	31.1	Very low	116 Å²	116	99.3 Å²	99.3	75%	0.753	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-63.7	142.7	177	27.5	-34.5	0	0	0	110.6	S215	P213-S215 PolarHBondContact O-N 2.84Å
214	P	30	Very low	29.2	Very low	128 Å²	128	103.3 Å²	103.3	83%	0.831	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-61.9	123.9	177.5	25.6	-33.6	0	0	0	110.1	G216	P214-G216 PolarHBondContact O-N 2.84Å
215	S	29.5	Very low	27.9	Very low	116 Å²	116	103.7 Å²	103.7	81%	0.811	78%	0.776	S	S	*	*			trans	-67.6	104.5	-177.4	55	0	0	0	0	111.1	P213 A217	P213-S215 PolarHBondContact O-N 2.84Å; S215-A217 PolarHBondContact O-N 3.5Å
216	G	29	Very low	27.5	Very low	77 Å²	77	104.6 Å²	104.6	79%	0.794	79%	0.79	S	S	*	*			trans	-65.9	110.5	176.4	0	0	0	0	0	111.9	P214 S218	P214-G216 PolarHBondContact O-N 2.84Å; G216-S218 PolarHBondContact O-N 3.09Å
217	A	28.2	Very low	27.4	Very low	102 Å²	102	105.1 Å²	105.1	84%	0.843	80%	0.796	S	S	*	*			trans	-83.5	91.9	176.4	0	0	0	0	0	111.2	S215	S215-A217 PolarHBondContact O-N 3.5Å
218	S	28.7	Very low	27.5	Very low	118 Å²	118	106.6 Å²	106.6	83%	0.825	80%	0.804	S	S	*	*			trans	-73.5	123	166	55.2	0	0	0	0	109.9	G216	G216-S218 PolarHBondContact O-N 3.09Å
219	G	27	Very low	27.3	Very low	80 Å²	80	106.7 Å²	106.7	83%	0.825	80%	0.802	S	S	*	*			trans	-76.1	176.6	-162.1	0	0	0	0	0	117.5
220	A	26.4	Very low	27.2	Very low	109 Å²	109	104.6 Å²	104.6	90%	0.901	80%	0.797	S	S	*	*			trans	-135	147.7	169	0	0	0	0	0	110
221	S	26.8	Very low	26.8	Very low	125 Å²	125	109.4 Å²	109.4	87%	0.874	80%	0.803	S	S	*	*			trans	-99.9	138.6	-174.9	54.4	0	0	0	0	112.8
222	G	25.5	Very low	26.8	Very low	83 Å²	83	110.1 Å²	110.1	86%	0.856	81%	0.809	S	S	*	*			trans	-164.5	104.3	178.6	0	0	0	0	0	115.8
223	A	26.1	Very low	27.1	Very low	91 Å²	91	110.5 Å²	110.5	75%	0.752	81%	0.811	S	S	*	*			trans	-39	154.3	179.5	0	0	0	0	0	121.8
224	S	26.5	Very low	27.1	Very low	126 Å²	126	112.5 Å²	112.5	88%	0.881	82%	0.815	S	S	*	*			trans	77.5	140.7	141.1	72.7	0	0	0	0	121.4
225	G	25	Very low	27.4	Very low	79 Å²	79	112.1 Å²	112.1	81%	0.814	81%	0.812	S	S	*	*			trans	157.1	99	169.5	0	0	0	0	0	116
226	A	26.7	Very low	27.3	Very low	91 Å²	91	112.5 Å²	112.5	75%	0.752	82%	0.815	S	S	*	*			trans	-34.3	142.4	177.4	0	0	0	0	0	121
227	S	26.3	Very low	27.2	Very low	104 Å²	104	112.4 Å²	112.4	73%	0.727	81%	0.814	S	S	*	*			trans	35.6	142.4	133.9	68.6	0	0	0	0	121.5
228	T	26.4	Very low	27.3	Very low	128 Å²	128	112.6 Å²	112.6	79%	0.785	81%	0.809	S	S	*	*				-153.2	166.2	57.9	42.4	0	0	0	0	117.1
229	T	25	Very low	27.2	Very low	116 Å²	116	113.9 Å²	113.9	71%	0.712	81%	0.805	S	S	*	*			trans	-43	153.3	166.3	50.6	0	0	0	0	115.7
230	T	26	Very low	27.2	Very low	144 Å²	144	117.1 Å²	117.1	88%	0.883	80%	0.802	S	S	*	*				-141.9	-178.4	75.8	39.7	0	0	0	0	115.9
231	M	24.3	Very low	27.3	Very low	172 Å²	172	118.3 Å²	118.3	85%	0.847	79%	0.792	S	S	*	*			trans	-108.5	146.7	-157.7	-56.7	175.7	177.2	0	0	115.3
232	A	24.6	Very low	27.3	Very low	95 Å²	95	119.1 Å²	119.1	79%	0.785	79%	0.787	S	S	*	*				50.6	167.3	122.8	0	0	0	0	0	121.6
233	P	33	Very low	27.4	Very low	120 Å²	120	119.7 Å²	119.7	78%	0.779	78%	0.778	S	S	*	*			cis	-133	176.2	5.1	42.5	-25.8	0	0	0	117.3
234	L	28.2	Very low	27.5	Very low	159 Å²	159	122.8 Å²	122.8	83%	0.832	78%	0.781	S	S	*	*			trans	-101.8	163	163.7	-75.5	162.3	0	0	0	111
235	P	37	Very low	27.5	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	78%	0.777	S	S	*	*			trans	-119.9	128.4	132.9	33.7	-26	0	0	0	110.1
236	S	27.5	Very low	27.5	Very low	124 Å²	124	121.1 Å²	121.1	87%	0.867	77%	0.774	S	S	*	*				91.2	105.3	58.8	-69.7	0	0	0	0	113.4
237	G	26.5	Very low	27.5	Very low	75 Å²	75	121.9 Å²	121.9	77%	0.773	78%	0.78	S	S	*	*			trans	-165.3	139.7	169.4	0	0	0	0	0	108.4
238	S	29.2	Very low	27.5	Very low	106 Å²	106	120.9 Å²	120.9	74%	0.741	78%	0.779	S	S	*	*			trans	-156.5	156	-148	57.1	0	0	0	0	117.4
239	I	27.6	Very low	27.5	Very low	145 Å²	145	122.6 Å²	122.6	74%	0.744	78%	0.783	S	S	*	*			trans	61.4	156.2	167.1	3.9	-179.6	0	0	0	114.7	L241	I239-L241 HydrophobicContact CG2-CD1 4.4Å
240	I	27.4	Very low	27.4	Very low	149 Å²	149	120.5 Å²	120.5	76%	0.764	78%	0.784	S	S	*	*			cis	-139.1	140.8	17.3	-61.4	-179.9	0	0	0	107.8
241	L	26.9	Very low	27.9	Very low	133 Å²	133	119.6 Å²	119.6	70%	0.696	78%	0.781	S	S	*	*			cis	97.3	140.1	42.2	-119.1	171	0	0	0	114.7	I239	I239-L241 HydrophobicContact CG2-CD1 4.4Å
242	N	27.2	Very low	28	Very low	142 Å²	142	115.8 Å²	115.8	76%	0.759	78%	0.777	S	S	*	*			trans	73.1	158.7	172.7	-65.9	-28.1	0	0	0	118.7
243	S	27.3	Very low	28	Very low	96 Å²	96	116.4 Å²	116.4	67%	0.671	78%	0.775	S	S	*	*			cis	179.3	174.7	-27.3	68.4	0	0	0	0	107.8
244	L	28.4	Very low	27.7	Very low	156 Å²	156	115.8 Å²	115.8	82%	0.817	78%	0.78	S	S	*	*			cis	-147.2	137.1	1.3	-95.7	-175.7	0	0	0	105.7
245	A	27.5	Very low	27.4	Very low	97 Å²	97	111.8 Å²	111.8	80%	0.802	78%	0.778	S	S	*	*				82.6	144.3	81.7	0	0	0	0	0	117.9
246	G	25.2	Very low	26.9	Very low	73 Å²	73	110.4 Å²	110.4	75%	0.753	78%	0.776	S	S	*	*			trans	122.2	105.7	179.4	0	0	0	0	0	112.1
247	A	26	Very low	26.7	Very low	106 Å²	106	110.3 Å²	110.3	88%	0.876	78%	0.776	S	S	*	*				76.4	130.9	54.7	0	0	0	0	0	113.2
248	A	25.6	Very low	26.6	Very low	84 Å²	84	110.7 Å²	110.7	69%	0.694	78%	0.78	S	S	*	*			cis	-163.9	-169.4	-5.9	0	0	0	0	0	111.2
249	N	26.7	Very low	26.4	Very low	163 Å²	163	111.3 Å²	111.3	87%	0.872	78%	0.784	S	S	*	*			trans	93.9	127.9	166.8	-54.6	-21.5	0	0	0	119
250	G	22.7	Very low	26.3	Very low	72 Å²	72	110.4 Å²	110.4	74%	0.742	79%	0.79	S	S	*	*			trans	-104.8	-143	154.2	0	0	0	0	0	109.8
251	P	38.2	Very low	26.2	Very low	125 Å²	125	107.4 Å²	107.4	81%	0.812	79%	0.788	S	S	*	*			cis	-138.6	-169.6	8.3	43.8	-26	0	0	0	115.4
252	A	25.3	Very low	26.2	Very low	92 Å²	92	107.1 Å²	107.1	76%	0.76	79%	0.794	S	S	*	*			trans	71.2	157.8	151.4	0	0	0	0	0	119.5
253	S	25.4	Very low	26.1	Very low	108 Å²	108	107 Å²	107	76%	0.755	79%	0.794	S	S	*	*			cis	-170.5	160.6	-26.6	56.5	0	0	0	0	111.4
254	A	25.3	Very low	26.3	Very low	107 Å²	107	108 Å²	108	88%	0.884	80%	0.798	S	S	*	*			trans	62.6	161.6	174.5	0	0	0	0	0	115.6
255	G	23.1	Very low	26.3	Very low	75 Å²	75	107.2 Å²	107.2	77%	0.773	79%	0.794	S	S	*	*			cis	133.2	143.9	5.2	0	0	0	0	0	109.6
256	A	25.2	Very low	26.3	Very low	90 Å²	90	106.5 Å²	106.5	74%	0.744	80%	0.796	S	S	*	*			cis	-160.6	174.3	-0.8	0	0	0	0	0	111.1
257	S	23.9	Very low	26.4	Very low	123 Å²	123	112.7 Å²	112.7	86%	0.86	80%	0.803	S	S	*	*			trans	39.4	125.8	150.4	60.9	0	0	0	0	122.2
258	G	25	Very low	26.4	Very low	83 Å²	83	112.2 Å²	112.2	86%	0.856	80%	0.798	S	S	*	*			trans	-172.8	113.5	158.2	0	0	0	0	0	113
259	S	24.2	Very low	26.3	Very low	118 Å²	118	111.4 Å²	111.4	83%	0.825	80%	0.799	S	S	*	*			trans	-125.2	131.5	-172.2	52.8	0	0	0	0	114
260	S	25	Very low	26.3	Very low	126 Å²	126	106.9 Å²	106.9	88%	0.881	79%	0.79	S	S	*	*			trans	158.7	151.7	160.2	43	0	0	0	0	108.5
261	A	25.9	Very low	26.7	Very low	87 Å²	87	112.2 Å²	112.2	72%	0.719	79%	0.789	S	S	*	*			cis	-145.6	170.3	-10.5	0	0	0	0	0	108.1
262	P	27.3	Very low	26.8	Very low	127 Å²	127	113.6 Å²	113.6	83%	0.825	79%	0.79	S	S	*	*			trans	-76.2	142.1	-172.4	31.2	-35.3	0	0	0	113.3
263	N	25.6	Very low	28.3	Very low	139 Å²	139	112.9 Å²	112.9	74%	0.743	77%	0.773	S	S	*	*			trans	-104.1	111.7	171.5	-171.1	-8.7	0	0	0	110.1	N265	N263-N265 PolarHBondContact O-N 3.35Å; N263-N265 VanDerWaalsContact O-N 3.11Å
264	P	31.1	Very low	30.3	Very low	117 Å²	117	108.8 Å²	108.8	76%	0.76	74%	0.742	S	S	*	*			trans	-85.3	83	-172.4	34.4	-35.2	0	0	0	111.9
265	N	29	Very low	33	Very low	139 Å²	139	105.6 Å²	105.6	74%	0.743	71%	0.709	S	S	*	*			trans	-137.2	111.6	163	-92.9	-59.2	0	0	0	110.2	N263 K267	N263-N265 PolarHBondContact O-N 3.35Å; N263-N265 VanDerWaalsContact O-N 3.11Å; N265-K267 PolarHBondContact O-N 3.07Å; N265-K267 VanDerWaalsContact O-N 3.14Å
266	G	26.1	Very low	36.2	Very low	82 Å²	82	102 Å²	102	85%	0.845	67%	0.672	S	S	*	*			trans	-67.4	109.2	176	0	0	0	0	0	110.1	A268	G266-A268 PolarHBondContact O-N 3Å; G266-A268 VanDerWaalsContact O-N 3.08Å
267	K	27.5	Very low	39.4	Very low	204 Å²	204	97.8 Å²	97.8	89%	0.887	64%	0.637	S	S	*	*			trans	-61.8	113.2	171.1	-73.5	-175.6	175.4	-177.7	0	108.8	N265 G269	N265-K267 PolarHBondContact O-N 3.07Å; N265-K267 VanDerWaalsContact O-N 3.14Å; K267-G269 PolarHBondContact O-N 2.92Å
268	A	25.7	Very low	42.7	Very low	95 Å²	95	91.9 Å²	91.9	79%	0.785	60%	0.596	S	S	*	*			trans	-52.8	135.9	158.6	0	0	0	0	0	108.4	G266 G270	G266-A268 PolarHBondContact O-N 3Å; G266-A268 VanDerWaalsContact O-N 3.08Å; A268-G270 PolarHBondContact O-N 3Å
269	G	25.1	Very low	46	Very low	68 Å²	68	88 Å²	88	70%	0.701	56%	0.555	S	S	*	*			trans	-63	106.8	179	0	0	0	0	0	109.6	K267 Y271	K267-G269 PolarHBondContact O-N 2.92Å; G269-Y271 PolarHBondContact O-N 3.47Å
270	G	26.4	Very low	49.3	Very low	67 Å²	67	82.3 Å²	82.3	69%	0.691	52%	0.516	S	S	*	.			trans	-61.5	121.5	-174.9	0	0	0	0	0	111.6	A268 N272	A268-G270 PolarHBondContact O-N 3Å; G270-N272 PolarHBondContact O-N 2.89Å
271	Y	30.1	Very low	52.5	Low	184 Å²	184	77.4 Å²	77.4	72%	0.722	48%	0.479	S	S	*	.			trans	-59.8	121.8	172.5	-59.6	-90.7	0	0	0	109.5	P206 G269 L273	P206-Y271 HydrophobicContact CB-CE1 4.33Å; G269-Y271 PolarHBondContact O-N 3.47Å; Y271-L273 VanDerWaalsContact C-N 3.27Å; Y271-L273 PolarHBondContact O-N 2.92Å
272	N	40.6	Very low	55.5	Low	155 Å²	155	78.5 Å²	78.5	83%	0.829	47%	0.469	S	S	*	.			trans	-74.9	84.5	169.4	-77.5	-39.6	0	0	0	108.7	G270	G270-N272 PolarHBondContact O-N 2.89Å
273	L	56.9	Low	58.6	Low	76 Å²	76	72.9 Å²	72.9	40%	0.398	43%	0.432	S	S	.	.			trans	-57.9	142.9	167.3	-74.5	155.2	0	0	0	109.8	D153 A203 Y271	D153-L273 HydrophobicContact CB-CB 3.68Å; D153-L273 HydrophobicContact CB-CD1 4.09Å; D153-L273 HydrophobicContact CB-CG 4.48Å; A203-L273 HydrophobicContact CB-CD2 3.84Å; Y271-L273 VanDerWaalsContact C-N 3.27Å; Y271-L273 PolarHBondContact O-N 2.92Å
274	N	67.9	Low	61.8	Low	22 Å²	22	66.3 Å²	66.3	12%	0.118	40%	0.397	C	S	.	.			trans	-69.3	138.8	-174.7	-151.1	-25.2	0	0	0	111.3	A201 P202 N204 A276	A201-N274 HydrophobicContact CB-CB 4.49Å; A201-N274 WeakPolarHBondContact CB-ND2 3.29Å; P202-N274 WeakPolarHBondContact O-CB 3.25Å; N204-N274 WeakPolarHBondContact OD1-CB 3.34Å; N204-N274 PolarHBondContact OD1-ND2 3.21Å; N274-A276 VanDerWaalsContact OD1-CB 3.26Å; N274-A276 WeakPolarHBondContact OD1-CB 3.44Å; N274-A276 PolarHBondContact OD1-N 3.15Å; N274-A276 VanDerWaalsContact OD1-N 3.07Å
275	Q	82.3	Confident	64.8	Low	40 Å²	40	60.7 Å²	60.7	19%	0.187	36%	0.361	C	S	.	.			trans	-126.8	14.8	178.8	-66.4	-178.1	-17.9	0	0	111.4	D153 Y156	D153-Q275 PolarHBondContact OD2-NE2 2.96Å; Y156-Q275 HydrophobicContact CE2-CG 4.47Å
276	A	88.9	Confident	68	Low	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.33	C	S	.	.			trans	-82.1	150.7	-177	0	0	0	0	0	112.5	A201 N274 Y287 K288	A201-A276 HydrophobicContact CB-CB 3.95Å; A201-A276 PolarHBondContact N-O 3.29Å; N274-A276 VanDerWaalsContact OD1-CB 3.26Å; N274-A276 WeakPolarHBondContact OD1-CB 3.44Å; N274-A276 PolarHBondContact OD1-N 3.15Å; N274-A276 VanDerWaalsContact OD1-N 3.07Å; A276-Y287 HydrophobicContact CB-CD2 4.49Å; A276-Y287 HydrophobicContact CB-CE2 3.5Å; A276-Y287 VanDerWaalsContact CB-CE2 3.5Å; A276-Y287 WeakPolarHBondContact CB-OH 3.44Å; A276-K288 CarbonylContact C-O 3.59Å; A276-K288 VanDerWaalsContact CA-O 3.23Å; A276-K288 WeakPolarHBondContact CA-O 3.33Å
277	I	92.3	Very high	71.2	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.7	179.2	-55	168.4	0	0	0	108	V172 L183 V198 V199 W200 F279 Y287 K288 V291	V172-I277 HydrophobicContact CG2-CD1 4.11Å; L183-I277 HydrophobicContact CD1-CD1 4.11Å; L183-I277 HydrophobicContact CD2-CD1 4.43Å; L183-I277 HydrophobicContact CD2-CG2 4.03Å; V198-I277 HydrophobicContact CG1-CG2 3.57Å; V199-I277 WeakPolarHBondContact O-CA 3.04Å; W200-I277 HydrophobicContact CD2-CG1 4.24Å; W200-I277 HydrophobicContact CE3-CD1 4.27Å; W200-I277 HydrophobicContact CE3-CG1 3.52Å; W200-I277 HydrophobicContact CH2-CD1 3.82Å; W200-I277 HydrophobicContact CH2-CG1 4.02Å; W200-I277 HydrophobicContact CZ3-CD1 3.69Å; W200-I277 HydrophobicContact CZ3-CG1 3.39Å; I277-F279 HydrophobicContact CG2-CD1 4.24Å; I277-Y287 CarbonylContact O-C 3.55Å; I277-Y287 WeakPolarHBondContact O-CA 3.46Å; I277-Y287 WeakPolarHBondContact O-CD2 3.38Å; I277-K288 PolarHBondContact N-O 3.03Å; I277-K288 PolarHBondContact O-N 2.86Å; I277-V291 HydrophobicContact CD1-CG2 4.45Å
278	A	93.9	Very high	74.3	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.8	160.3	0	0	0	0	0	109.8	V198 V199 Y286 M337 F339 L346	V198-A278 WeakPolarHBondContact CA-O 3.03Å; V199-A278 HydrophobicContact CG2-CB 4.11Å; V199-A278 PolarHBondContact N-O 2.94Å; V199-A278 PolarHBondContact O-N 2.84Å; A278-Y286 CarbonylContact C-O 3.58Å; A278-Y286 VanDerWaalsContact CA-O 3.3Å; A278-Y286 WeakPolarHBondContact CA-O 3.32Å; A278-M337 HydrophobicContact CB-CE 4.41Å; A278-M337 HydrophobicContact CB-SD 4.21Å; A278-F339 HydrophobicContact CB-CE2 3.89Å; A278-F339 HydrophobicContact CB-CZ 3.57Å; A278-L346 HydrophobicContact CB-CD2 3.98Å
279	F	94.5	Very high	77.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.6	-179.9	60.5	-89	0	0	0	112.1	L183 G184 P185 L195 H197 V198 I277 I285 Y286 K288 V296	L183-F279 HydrophobicContact CD1-CD1 4.23Å; L183-F279 HydrophobicContact CD1-CE1 4.02Å; L183-F279 HydrophobicContact CD2-CD1 4.31Å; L183-F279 HydrophobicContact CG-CD1 4.38Å; L183-F279 HydrophobicContact CG-CE1 4.46Å; G184-F279 WeakPolarHBondContact O-CZ 3.33Å; P185-F279 HydrophobicContact CB-CE2 4.5Å; L195-F279 HydrophobicContact CD1-CB 4.22Å; L195-F279 HydrophobicContact CD1-CD2 4.05Å; L195-F279 HydrophobicContact CD1-CG 4.24Å; L195-F279 HydrophobicContact CD2-CD2 3.91Å; L195-F279 HydrophobicContact CD2-CE2 4.29Å; H197-F279 CarbonylContact O-C 3.55Å; H197-F279 WeakPolarHBondContact O-CA 3.15Å; H197-F279 WeakPolarHBondContact O-CB 3.44Å; V198-F279 HydrophobicContact CB-CB 4.3Å; V198-F279 HydrophobicContact CG1-CB 4.16Å; V198-F279 HydrophobicContact CG2-CB 3.86Å; I277-F279 HydrophobicContact CG2-CD1 4.24Å; F279-I285 WeakPolarHBondContact O-CA 3.31Å; F279-Y286 HydrophobicContact CD2-CD2 4.5Å; F279-Y286 HydrophobicContact CD2-CG 4.4Å; F279-Y286 VanDerWaalsContact CE2-CB 3.44Å; F279-Y286 HydrophobicContact CE2-CD1 4.42Å; F279-Y286 HydrophobicContact CE2-CD2 4.16Å; F279-Y286 AromaticContact CE2-CG 3.79Å; F279-Y286 HydrophobicContact CE2-CG 3.79Å; F279-Y286 VanDerWaalsContact CZ-CB 3.42Å; F279-Y286 HydrophobicContact CZ-CD1 4.46Å; F279-Y286 HydrophobicContact CZ-CG 4.07Å; F279-Y286 PolarHBondContact N-O 2.8Å; F279-Y286 PolarHBondContact O-N 2.63Å; F279-K288 HydrophobicContact CE1-CB 4.43Å; F279-V296 HydrophobicContact CE1-CG1 4.27Å; F279-V296 HydrophobicContact CZ-CG1 3.88Å
280	V	93.7	Very high	80.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.4	-179.7	-173.3	0	0	0	0	110.3	Q196 H197 D284 I285 N317 V319 M337	Q196-V280 HydrophobicContact CB-CB 4.37Å; Q196-V280 HydrophobicContact CB-CG1 4.39Å; Q196-V280 PolarHBondContact N-O 3.31Å; H197-V280 HydrophobicContact CB-CB 4.41Å; H197-V280 HydrophobicContact CB-CG2 4.27Å; H197-V280 PolarHBondContact O-N 2.89Å; V280-D284 WeakPolarHBondContact CA-O 3.35Å; V280-I285 HydrophobicContact CG2-CG1 4.21Å; V280-N317 WeakPolarHBondContact CG1-O 3.44Å; V280-V319 HydrophobicContact CB-CG1 4.04Å; V280-V319 HydrophobicContact CG1-CG1 4.03Å; V280-V319 HydrophobicContact CG1-CG2 4.05Å; V280-V319 HydrophobicContact CG2-CG1 4.07Å; V280-M337 HydrophobicContact CG2-CE 3.76Å
281	H	91.9	Very high	83.1	Confident	23 Å²	23	40 Å²	40	11%	0.106	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	126.6	-179.6	173.3	-80.2	0	0	0	109.2	L195 N283 D284 Y286	L195-H281 HydrophobicContact CD2-CB 3.98Å; H281-N283 VanDerWaalsContact C-N 3.27Å; H281-N283 PolarHBondContact O-N 2.96Å; H281-D284 PolarHBondContact N-O 3.28Å; H281-D284 PolarHBondContact O-N 2.84Å; H281-D284 VanDerWaalsContact O-N 3.17Å; H281-Y286 HydrophobicContact CB-CD2 4.23Å; H281-Y286 HydrophobicContact CB-CE2 4.01Å
282	H	89.7	Confident	85.5	Confident	110 Å²	110	36.7 Å²	36.7	51%	0.509	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	45	-176.7	-67.9	-167.5	0	0	0	112.4	Q196 D284 G305	Q196-H282 VanDerWaalsContact OE1-N 3.1Å; H282-D284 PolarHBondContact O-N 2.84Å; H282-D284 VanDerWaalsContact O-N 3.15Å; H282-G305 PolarHBondContact O-N 2.87Å
283	N	91.2	Very high	87.3	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.043	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	11.6	-179.4	-63	-26.5	0	0	0	115.9	Q196 H281 G303 S304 V315 F316 N317	Q196-N283 PolarHBondContact NE2-OD1 3.43Å; H281-N283 VanDerWaalsContact C-N 3.27Å; H281-N283 PolarHBondContact O-N 2.96Å; N283-G303 WeakPolarHBondContact O-CA 3.41Å; N283-S304 PolarHBondContact ND2-O 2.88Å; N283-V315 VanDerWaalsContact CB-O 3.3Å; N283-V315 WeakPolarHBondContact CB-O 3.36Å; N283-F316 VanDerWaalsContact OD1-CD1 3.27Å; N283-F316 WeakPolarHBondContact OD1-CD1 3.44Å; N283-N317 WeakPolarHBondContact O-CB 3.49Å; N283-N317 PolarHBondContact O-N 2.84Å; N283-N317 PolarHBondContact O-ND2 3.23Å
284	D	93.3	Very high	88.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.6	173	-89.1	-32.9	0	0	0	112.7	V280 H281 H282 Y286 R298 T300 Q301 T302 G303 N317	V280-D284 WeakPolarHBondContact CA-O 3.35Å; H281-D284 PolarHBondContact N-O 3.28Å; H281-D284 PolarHBondContact O-N 2.84Å; H281-D284 VanDerWaalsContact O-N 3.17Å; H282-D284 PolarHBondContact O-N 2.84Å; H282-D284 VanDerWaalsContact O-N 3.15Å; D284-Y286 HydrophobicContact CB-CE2 4.14Å; D284-Y286 WeakPolarHBondContact O-CD2 3.38Å; D284-R298 IonicContact OD2-CZ 3.28Å; D284-R298 IonicContact OD2-NE 2.68Å; D284-R298 PolarHBondContact OD2-NE 3.18Å; D284-R298 IonicContact OD2-NH2 2.75Å; D284-R298 PolarHBondContact OD2-NH2 2.86Å; D284-T300 VanDerWaalsContact CA-OG1 3.26Å; D284-T300 WeakPolarHBondContact CA-OG1 3.5Å; D284-T300 WeakPolarHBondContact CB-OG1 3.27Å; D284-T300 VanDerWaalsContact CG-C 3.4Å; D284-T300 VanDerWaalsContact CG-OG1 3.3Å; D284-T300 WeakPolarHBondContact OD1-CB 3.41Å; D284-T300 PolarHBondContact OD1-OG1 2.84Å; D284-Q301 PolarHBondContact OD1-N 2.86Å; D284-Q301 VanDerWaalsContact OD2-CA 3.31Å; D284-Q301 WeakPolarHBondContact OD2-CA 3.33Å; D284-T302 PolarHBondContact OD1-N 3.12Å; D284-G303 WeakPolarHBondContact OD1-CA 3.25Å; D284-G303 PolarHBondContact OD1-N 2.97Å; D284-G303 PolarHBondContact OD2-N 2.88Å; D284-N317 PolarHBondContact OD1-ND2 3.26Å
285	I	94.9	Very high	89.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135	-178.3	-46.7	175.7	0	0	0	110.1	F279 V280 I299 T300 N317 M337 L346 F348	F279-I285 WeakPolarHBondContact O-CA 3.31Å; V280-I285 HydrophobicContact CG2-CG1 4.21Å; I285-I299 HydrophobicContact CB-CB 4.29Å; I285-I299 HydrophobicContact CB-CD1 4.41Å; I285-I299 HydrophobicContact CG2-CD1 3.82Å; I285-I299 WeakPolarHBondContact O-CB 3.48Å; I285-I299 PolarHBondContact O-N 2.74Å; I285-T300 HydrophobicContact CD1-CG2 4.39Å; I285-T300 HydrophobicContact CG1-CG2 4.41Å; I285-T300 PolarHBondContact N-OG1 3.17Å; I285-N317 HydrophobicContact CD1-CB 4.08Å; I285-N317 HydrophobicContact CG1-CB 3.87Å; I285-M337 HydrophobicContact CD1-SD 4.07Å; I285-M337 HydrophobicContact CG1-SD 4.45Å; I285-M337 HydrophobicContact CG2-CE 4.46Å; I285-M337 HydrophobicContact CG2-SD 3.59Å; I285-M337 VanDerWaalsContact CG2-SD 3.59Å; I285-L346 HydrophobicContact CG2-CD2 4.31Å; I285-F348 HydrophobicContact CD1-CB 3.76Å; I285-F348 HydrophobicContact CD1-CD1 3.75Å; I285-F348 HydrophobicContact CD1-CD2 3.38Å; I285-F348 HydrophobicContact CD1-CE1 4.11Å; I285-F348 HydrophobicContact CD1-CE2 3.76Å; I285-F348 HydrophobicContact CD1-CG 3.36Å; I285-F348 HydrophobicContact CD1-CZ 4.11Å
286	Y	94.6	Very high	89.8	Confident	26 Å²	26	38.1 Å²	38.1	10%	0.102	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.1	176.1	-67.5	-107.2	0	0	0	110.2	P185 A278 F279 H281 D284 V296 C297 R298	P185-Y286 HydrophobicContact CB-CD1 3.85Å; P185-Y286 HydrophobicContact CB-CE1 3.38Å; P185-Y286 HydrophobicContact CB-CE2 4.34Å; P185-Y286 HydrophobicContact CB-CG 4.48Å; A278-Y286 CarbonylContact C-O 3.58Å; A278-Y286 VanDerWaalsContact CA-O 3.3Å; A278-Y286 WeakPolarHBondContact CA-O 3.32Å; F279-Y286 HydrophobicContact CD2-CD2 4.5Å; F279-Y286 HydrophobicContact CD2-CG 4.4Å; F279-Y286 VanDerWaalsContact CE2-CB 3.44Å; F279-Y286 HydrophobicContact CE2-CD1 4.42Å; F279-Y286 HydrophobicContact CE2-CD2 4.16Å; F279-Y286 AromaticContact CE2-CG 3.79Å; F279-Y286 HydrophobicContact CE2-CG 3.79Å; F279-Y286 VanDerWaalsContact CZ-CB 3.42Å; F279-Y286 HydrophobicContact CZ-CD1 4.46Å; F279-Y286 HydrophobicContact CZ-CG 4.07Å; F279-Y286 PolarHBondContact N-O 2.8Å; F279-Y286 PolarHBondContact O-N 2.63Å; H281-Y286 HydrophobicContact CB-CD2 4.23Å; H281-Y286 HydrophobicContact CB-CE2 4.01Å; D284-Y286 HydrophobicContact CB-CE2 4.14Å; D284-Y286 WeakPolarHBondContact O-CD2 3.38Å; Y286-V296 HydrophobicContact CD1-CG1 3.96Å; Y286-C297 CarbonylContact C-O 3.53Å; Y286-C297 WeakPolarHBondContact CA-O 3.46Å; Y286-R298 HydrophobicContact CD1-CB 3.87Å; Y286-R298 HydrophobicContact CD1-CG 4.33Å; Y286-R298 HydrophobicContact CE1-CB 3.73Å; Y286-R298 HydrophobicContact CE1-CG 3.94Å; Y286-R298 HydrophobicContact CE2-CG 4.4Å
287	Y	93.9	Very high	89.9	Confident	15 Å²	15	39 Å²	39	6%	0.059	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.9	180	175.1	-112.8	0	0	0	111	A276 I277 P289 C297 F339 L395 I401	A276-Y287 HydrophobicContact CB-CD2 4.49Å; A276-Y287 HydrophobicContact CB-CE2 3.5Å; A276-Y287 VanDerWaalsContact CB-CE2 3.5Å; A276-Y287 WeakPolarHBondContact CB-OH 3.44Å; I277-Y287 CarbonylContact O-C 3.55Å; I277-Y287 WeakPolarHBondContact O-CA 3.46Å; I277-Y287 WeakPolarHBondContact O-CD2 3.38Å; Y287-P289 HydrophobicContact CD1-CG 3.99Å; Y287-P289 HydrophobicContact CE1-CB 4.05Å; Y287-P289 HydrophobicContact CE1-CG 3.71Å; Y287-C297 PolarHBondContact N-O 3.04Å; Y287-C297 PolarHBondContact O-N 2.87Å; Y287-F339 HydrophobicContact CD2-CE1 4.43Å; Y287-F339 HydrophobicContact CD2-CZ 4.4Å; Y287-F339 HydrophobicContact CE2-CE1 4.01Å; Y287-F339 HydrophobicContact CE2-CZ 4.23Å; Y287-L395 HydrophobicContact CD1-CD2 3.95Å; Y287-L395 HydrophobicContact CD2-CD1 4.18Å; Y287-L395 HydrophobicContact CD2-CD2 4.43Å; Y287-L395 HydrophobicContact CE1-CB 4.23Å; Y287-L395 HydrophobicContact CE1-CD1 4.37Å; Y287-L395 HydrophobicContact CE1-CD2 3.99Å; Y287-L395 HydrophobicContact CE1-CG 4.43Å; Y287-L395 HydrophobicContact CE2-CD1 3.7Å; Y287-L395 HydrophobicContact CE2-CD2 4.49Å; Y287-L395 HydrophobicContact CG-CD2 4.16Å; Y287-I401 HydrophobicContact CD1-CD1 4.03Å; Y287-I401 HydrophobicContact CE1-CD1 4.5Å
288	K	91.8	Very high	89.9	Confident	13 Å²	13	44.5 Å²	44.5	6%	0.057	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.8	175.5	-178.9	166.2	-176	168.9	0	108.3	L183 E187 A276 I277 F279 K290 V291 G293 V296	L183-K288 HydrophobicContact CD1-CD 4.38Å; E187-K288 VanDerWaalsContact OE1-CE 3.23Å; E187-K288 WeakPolarHBondContact OE1-CE 3.4Å; E187-K288 IonicContact OE1-NZ 2.7Å; E187-K288 PolarHBondContact OE1-NZ 3.36Å; E187-K288 IonicContact OE2-NZ 3.1Å; E187-K288 PolarHBondContact OE2-NZ 3.22Å; A276-K288 CarbonylContact C-O 3.59Å; A276-K288 VanDerWaalsContact CA-O 3.23Å; A276-K288 WeakPolarHBondContact CA-O 3.33Å; I277-K288 PolarHBondContact N-O 3.03Å; I277-K288 PolarHBondContact O-N 2.86Å; F279-K288 HydrophobicContact CE1-CB 4.43Å; K288-K290 VanDerWaalsContact C-N 3.27Å; K288-K290 WeakPolarHBondContact CE-O 3.46Å; K288-K290 VanDerWaalsContact CG-O 3.3Å; K288-K290 WeakPolarHBondContact CG-O 3.24Å; K288-K290 PolarHBondContact O-N 2.04Å; K288-V291 WeakPolarHBondContact CE-O 3.12Å; K288-V291 PolarHBondContact NZ-O 2.83Å; K288-G293 WeakPolarHBondContact CE-O 3.41Å; K288-V296 HydrophobicContact CB-CG2 4.41Å; K288-V296 HydrophobicContact CD-CG2 4.19Å; K288-V296 HydrophobicContact CG-CG2 4.37Å
289	P	89	Confident	89.9	Confident	23 Å²	23	44.8 Å²	44.8	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-69.2	-17.4	-171.4	-19.9	31.7	0	0	0	115.4	Y287 L295 I398	Y287-P289 HydrophobicContact CD1-CG 3.99Å; Y287-P289 HydrophobicContact CE1-CB 4.05Å; Y287-P289 HydrophobicContact CE1-CG 3.71Å; P289-L295 WeakPolarHBondContact CD-O 3.02Å; P289-I398 HydrophobicContact CB-CD1 4.1Å; P289-I398 HydrophobicContact CG-CD1 3.81Å; P289-I398 HydrophobicContact CG-CG1 4.37Å
290	K	87.3	Confident	89.9	Confident	133 Å²	133	45 Å²	45	58%	0.578	22%	0.22	S	C	*	.			trans	-152.3	142.9	178.9	-64.8	-174.6	178.8	-177.4	0	109.9	K288	K288-K290 VanDerWaalsContact C-N 3.27Å; K288-K290 WeakPolarHBondContact CE-O 3.46Å; K288-K290 VanDerWaalsContact CG-O 3.3Å; K288-K290 WeakPolarHBondContact CG-O 3.24Å; K288-K290 PolarHBondContact O-N 2.04Å
291	V	86.5	Confident	89.7	Confident	10 Å²	10	52.6 Å²	52.6	6%	0.061	26%	0.255	C	S	.	.	S	Bend	trans	-58.8	-54.6	174.5	-179.2	0	0	0	0	111.8	Y156 V172 W200 I277 K288 G293	Y156-V291 HydrophobicContact CD1-CB 4.4Å; Y156-V291 HydrophobicContact CD1-CG1 3.93Å; Y156-V291 HydrophobicContact CD1-CG2 4.31Å; Y156-V291 HydrophobicContact CD2-CB 4.43Å; Y156-V291 HydrophobicContact CD2-CG2 3.88Å; Y156-V291 HydrophobicContact CE1-CB 4.04Å; Y156-V291 HydrophobicContact CE1-CG1 3.65Å; Y156-V291 HydrophobicContact CE1-CG2 4.39Å; Y156-V291 HydrophobicContact CE2-CB 4.07Å; Y156-V291 HydrophobicContact CE2-CG2 3.97Å; Y156-V291 HydrophobicContact CG-CG1 4.49Å; Y156-V291 HydrophobicContact CG-CG2 4.04Å; V172-V291 HydrophobicContact CB-CG1 4.32Å; V172-V291 HydrophobicContact CG1-CG1 3.73Å; V172-V291 HydrophobicContact CG1-CG2 4.26Å; W200-V291 HydrophobicContact CH2-CG2 3.72Å; W200-V291 HydrophobicContact CZ3-CG2 3.72Å; I277-V291 HydrophobicContact CD1-CG2 4.45Å; K288-V291 WeakPolarHBondContact CE-O 3.12Å; K288-V291 PolarHBondContact NZ-O 2.83Å; V291-G293 PolarHBondContact O-N 3.1Å
292	Q	81.3	Confident	89.5	Confident	114 Å²	114	55.6 Å²	55.6	53%	0.533	28%	0.275	S	S	.	.	S	Bend	trans	-90.4	71.6	-179.3	-70.9	172.5	-10.7	0	0	111	Y156 E174	Y156-Q292 WeakPolarHBondContact OH-CG 3.17Å; Y156-Q292 PolarHBondContact OH-NE2 3.42Å; Y156-Q292 PolarHBondContact OH-OE1 2.74Å; E174-Q292 VanDerWaalsContact CD-NE2 3.3Å; E174-Q292 PolarHBondContact OE1-NE2 2.97Å; E174-Q292 PolarHBondContact OE2-NE2 3.47Å
293	G	77.4	Confident	89.2	Confident	31 Å²	31	51.1 Å²	51.1	32%	0.32	26%	0.259	S	S	.	.	S	Bend	trans	-169.9	147.6	174.8	0	0	0	0	0	112.8	K288 V291 L295	K288-G293 WeakPolarHBondContact CE-O 3.41Å; V291-G293 PolarHBondContact O-N 3.1Å; G293-L295 PolarHBondContact O-N 3.4Å; G293-L295 VanDerWaalsContact O-N 3.12Å
294	E	80.2	Confident	88.1	Confident	169 Å²	169	52.7 Å²	52.7	79%	0.79	27%	0.27	S	S	*	.	S	Bend	trans	-75.9	3.5	-169.8	-59.2	-177.5	146.9	0	0	115.1
295	L	88.1	Confident	86.6	Confident	92 Å²	92	53.6 Å²	53.6	48%	0.482	28%	0.28	S	S	.	.			trans	-102.4	109.4	-167.1	-176.8	57	0	0	0	112.1	P289 G293 I398	P289-L295 WeakPolarHBondContact CD-O 3.02Å; G293-L295 PolarHBondContact O-N 3.4Å; G293-L295 VanDerWaalsContact O-N 3.12Å; L295-I398 HydrophobicContact CD2-CG2 3.97Å
296	V	90.6	Very high	84.5	Confident	31 Å²	31	57 Å²	57	19%	0.188	30%	0.303	C	S	.	.			trans	-113.3	133.9	166.8	-174.3	0	0	0	0	109	E187 F279 Y286 K288	E187-V296 HydrophobicContact CG-CG2 4.33Å; E187-V296 WeakPolarHBondContact OE1-CG2 3.43Å; F279-V296 HydrophobicContact CE1-CG1 4.27Å; F279-V296 HydrophobicContact CZ-CG1 3.88Å; Y286-V296 HydrophobicContact CD1-CG1 3.96Å; K288-V296 HydrophobicContact CB-CG2 4.41Å; K288-V296 HydrophobicContact CD-CG2 4.19Å; K288-V296 HydrophobicContact CG-CG2 4.37Å
297	C	91.5	Very high	82	Confident	18 Å²	18	62.7 Å²	62.7	12%	0.122	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.9	-178.3	-59.1	0	0	0	0	110.4	Y286 Y287 I299 I398 I401	Y286-C297 CarbonylContact C-O 3.53Å; Y286-C297 WeakPolarHBondContact CA-O 3.46Å; Y287-C297 PolarHBondContact N-O 3.04Å; Y287-C297 PolarHBondContact O-N 2.87Å; C297-I299 PolarHBondContact O-N 2.86Å; C297-I398 WeakPolarHBondContact SG-CG2 3.3Å; C297-I401 HydrophobicContact CB-CD1 3.94Å
298	R	93.1	Very high	79.4	Confident	117 Å²	117	72 Å²	72	44%	0.442	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	116.2	171.4	-179.5	174.6	179.1	-176.5	3.8	109.4	D284 Y286 T300	D284-R298 IonicContact OD2-CZ 3.28Å; D284-R298 IonicContact OD2-NE 2.68Å; D284-R298 PolarHBondContact OD2-NE 3.18Å; D284-R298 IonicContact OD2-NH2 2.75Å; D284-R298 PolarHBondContact OD2-NH2 2.86Å; Y286-R298 HydrophobicContact CD1-CB 3.87Å; Y286-R298 HydrophobicContact CD1-CG 4.33Å; Y286-R298 HydrophobicContact CE1-CB 3.73Å; Y286-R298 HydrophobicContact CE1-CG 3.94Å; Y286-R298 HydrophobicContact CE2-CG 4.4Å; R298-T300 WeakPolarHBondContact CG-O 3.39Å; R298-T300 PolarHBondContact NE-O 3Å
299	I	93.6	Very high	77	Confident	7 Å²	7	75.4 Å²	75.4	4%	0.036	42%	0.418	C	S	.	.			trans	-81.6	-45.7	-176.4	-56.5	180	0	0	0	110.9	I285 C297 L346 F348 V393 I401 P403	I285-I299 HydrophobicContact CB-CB 4.29Å; I285-I299 HydrophobicContact CB-CD1 4.41Å; I285-I299 HydrophobicContact CG2-CD1 3.82Å; I285-I299 WeakPolarHBondContact O-CB 3.48Å; I285-I299 PolarHBondContact O-N 2.74Å; C297-I299 PolarHBondContact O-N 2.86Å; I299-L346 HydrophobicContact CD1-CD2 3.71Å; I299-F348 HydrophobicContact CG2-CE1 4.27Å; I299-F348 HydrophobicContact CG2-CZ 4.5Å; I299-V393 HydrophobicContact CD1-CG1 4.14Å; I299-V393 HydrophobicContact CG2-CB 4.27Å; I299-V393 HydrophobicContact CG2-CG1 3.97Å; I299-V393 HydrophobicContact CG2-CG2 4.35Å; I299-I401 HydrophobicContact CB-CG2 4.32Å; I299-I401 HydrophobicContact CG1-CG2 3.82Å; I299-I401 HydrophobicContact CG2-CG2 4.27Å; I299-P403 HydrophobicContact CG2-CB 4.42Å; I299-P403 HydrophobicContact CG2-CG 4.45Å; I299-P403 WeakPolarHBondContact O-CD 3.28Å
300	T	93.6	Very high	75	Confident	5 Å²	5	81.5 Å²	81.5	3%	0.031	44%	0.444	C	S	.	.			trans	-112	151.2	-178.2	60.4	0	0	0	0	110.9	D284 I285 R298 N317 F348	D284-T300 VanDerWaalsContact CA-OG1 3.26Å; D284-T300 WeakPolarHBondContact CA-OG1 3.5Å; D284-T300 WeakPolarHBondContact CB-OG1 3.27Å; D284-T300 VanDerWaalsContact CG-C 3.4Å; D284-T300 VanDerWaalsContact CG-OG1 3.3Å; D284-T300 WeakPolarHBondContact OD1-CB 3.41Å; D284-T300 PolarHBondContact OD1-OG1 2.84Å; I285-T300 HydrophobicContact CD1-CG2 4.39Å; I285-T300 HydrophobicContact CG1-CG2 4.41Å; I285-T300 PolarHBondContact N-OG1 3.17Å; R298-T300 WeakPolarHBondContact CG-O 3.39Å; R298-T300 PolarHBondContact NE-O 3Å; T300-N317 HydrophobicContact CG2-CB 4.13Å; T300-F348 HydrophobicContact CG2-CE2 3.69Å; T300-F348 HydrophobicContact CG2-CZ 3.53Å
301	Q	89.8	Confident	73.1	Confident	158 Å²	158	78.5 Å²	78.5	74%	0.738	44%	0.44	S	S	*	.	S	Bend	trans	-132.5	17.7	179.1	-58	-179.5	10.2	0	0	111.1	D284	D284-Q301 PolarHBondContact OD1-N 2.86Å; D284-Q301 VanDerWaalsContact OD2-CA 3.31Å; D284-Q301 WeakPolarHBondContact OD2-CA 3.33Å
302	T	88.7	Confident	71.8	Confident	87 Å²	87	79.1 Å²	79.1	53%	0.534	44%	0.444	S	S	.	.			trans	-104.6	-13.2	-174.6	49.8	0	0	0	0	112.1	D284 S304 V315 N317	D284-T302 PolarHBondContact OD1-N 3.12Å; T302-S304 PolarHBondContact O-N 3.2Å; T302-S304 VanDerWaalsContact O-N 3.11Å; T302-V315 WeakPolarHBondContact O-CB 3.27Å; T302-N317 PolarHBondContact OG1-ND2 3.26Å; T302-N317 VanDerWaalsContact OG1-ND2 3.09Å; T302-N317 PolarHBondContact OG1-OD1 3.46Å
303	G	81.9	Confident	71.2	Confident	16 Å²	16	74.2 Å²	74.2	17%	0.165	42%	0.423	C	S	.	.			trans	-58	112.1	176.6	0	0	0	0	0	111.1	N283 D284 G305 N317	N283-G303 WeakPolarHBondContact O-CA 3.41Å; D284-G303 WeakPolarHBondContact OD1-CA 3.25Å; D284-G303 PolarHBondContact OD1-N 2.97Å; D284-G303 PolarHBondContact OD2-N 2.88Å; G303-G305 VanDerWaalsContact C-N 3.26Å; G303-G305 PolarHBondContact O-N 3.28Å; G303-G305 VanDerWaalsContact O-N 3.16Å; G303-N317 PolarHBondContact N-ND2 2.98Å
304	S	70.1	Confident	71.6	Confident	40 Å²	40	74.6 Å²	74.6	28%	0.28	42%	0.42	S	S	.	.			trans	-83.3	81.3	162.9	30.7	0	0	0	0	107.1	N283 T302 G313 V314 V315	N283-S304 PolarHBondContact ND2-O 2.88Å; T302-S304 PolarHBondContact O-N 3.2Å; T302-S304 VanDerWaalsContact O-N 3.11Å; S304-G313 VanDerWaalsContact O-CA 3.22Å; S304-G313 WeakPolarHBondContact O-CA 3.32Å; S304-V314 WeakPolarHBondContact OG-CA 3.27Å; S304-V314 WeakPolarHBondContact OG-CB 3.43Å; S304-V314 PolarHBondContact OG-N 3.01Å; S304-V315 PolarHBondContact N-O 2.9Å; S304-V315 PolarHBondContact OG-N 3.44Å
305	G	59.9	Low	72.1	Confident	20 Å²	20	68 Å²	68	21%	0.206	39%	0.391	C	S	.	.			trans	-64.3	150.6	159.9	0	0	0	0	0	109.9	H282 G303 L307	H282-G305 PolarHBondContact O-N 2.87Å; G303-G305 VanDerWaalsContact C-N 3.26Å; G303-G305 PolarHBondContact O-N 3.28Å; G303-G305 VanDerWaalsContact O-N 3.16Å; G305-L307 PolarHBondContact O-N 3.3Å
306	S	51.4	Low	72.3	Confident	72 Å²	72	65.1 Å²	65.1	50%	0.503	37%	0.374	S	S	.	.			trans	-61.2	103.6	175.6	48.8	0	0	0	0	110.7	E310	S306-E310 WeakPolarHBondContact CB-O 3.48Å
307	L	43.3	Very low	72.4	Confident	146 Å²	146	63.7 Å²	63.7	76%	0.764	37%	0.366	S	S	*	.			trans	-63.9	144.8	157.2	-73.4	166.8	0	0	0	108.1	G305 G309 E310	G305-L307 PolarHBondContact O-N 3.3Å; L307-G309 PolarHBondContact O-N 2.99Å; L307-E310 PolarHBondContact O-N 3.05Å
308	E	38.7	Very low	72.4	Confident	211 Å²	211	62.9 Å²	62.9	99%	0.986	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	98.2	-172.6	-63.4	178.4	167.4	0	0	111.9
309	G	40.5	Very low	72.3	Confident	84 Å²	84	58 Å²	58	87%	0.866	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.5	-23.6	-178.8	0	0	0	0	0	116	L307	L307-G309 PolarHBondContact O-N 2.99Å
310	E	46.8	Very low	72.2	Confident	150 Å²	150	58.4 Å²	58.4	70%	0.701	35%	0.347	S	S	*	.			trans	-109.7	109.7	176.3	-78.3	-172.4	141.1	0	0	111.5	S306 L307 T312	S306-E310 WeakPolarHBondContact CB-O 3.48Å; L307-E310 PolarHBondContact O-N 3.05Å; E310-T312 PolarHBondContact O-N 2.67Å
311	S	48.5	Very low	72.1	Confident	70 Å²	70	58.3 Å²	58.3	49%	0.49	35%	0.346	S	S	.	.			trans	-84.7	2.4	-169.6	54.8	0	0	0	0	116
312	T	60	Low	72	Confident	24 Å²	24	51.8 Å²	51.8	15%	0.147	31%	0.314	C	S	.	.			trans	-120.5	120.7	173.7	63.5	0	0	0	0	110.9	E310 S375 R377	E310-T312 PolarHBondContact O-N 2.67Å; T312-S375 WeakPolarHBondContact CG2-O 3.25Å; T312-R377 PolarHBondContact OG1-NH2 2.85Å
313	G	67.8	Low	72.1	Confident	10 Å²	10	47.6 Å²	47.6	10%	0.103	29%	0.289	C	S	.	.			trans	-59.7	154.3	158.1	0	0	0	0	0	111	S304	S304-G313 VanDerWaalsContact O-CA 3.22Å; S304-G313 WeakPolarHBondContact O-CA 3.32Å
314	V	85.4	Confident	72.5	Confident	40 Å²	40	46.9 Å²	46.9	24%	0.242	28%	0.281	C	S	.	.	S	Bend	trans	-114.7	-26.8	178.2	-170.9	0	0	0	0	111.2	S304 N352 D353	S304-V314 WeakPolarHBondContact OG-CA 3.27Å; S304-V314 WeakPolarHBondContact OG-CB 3.43Å; S304-V314 PolarHBondContact OG-N 3.01Å; V314-N352 PolarHBondContact O-OD1 2.95Å; V314-D353 PolarHBondContact O-N 3.09Å
315	V	91.5	Very high	73.4	Confident	29 Å²	29	48.9 Å²	48.9	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.3	177.3	179.6	0	0	0	0	108.8	N283 T302 S304 Y351 N352	N283-V315 VanDerWaalsContact CB-O 3.3Å; N283-V315 WeakPolarHBondContact CB-O 3.36Å; T302-V315 WeakPolarHBondContact O-CB 3.27Å; S304-V315 PolarHBondContact N-O 2.9Å; S304-V315 PolarHBondContact OG-N 3.44Å; V315-Y351 CarbonylContact C-O 3.47Å; V315-Y351 VanDerWaalsContact CA-O 3.29Å; V315-Y351 WeakPolarHBondContact CA-O 3.47Å; V315-N352 HydrophobicContact CG2-CB 4.33Å
316	F	91.8	Very high	74.7	Confident	32 Å²	32	50.7 Å²	50.7	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	-179.5	-55.5	-94.9	0	0	0	109.3	N283 V319 D321 S350 Y351	N283-F316 VanDerWaalsContact OD1-CD1 3.27Å; N283-F316 WeakPolarHBondContact OD1-CD1 3.44Å; F316-V319 HydrophobicContact CB-CG2 4.31Å; F316-V319 WeakPolarHBondContact CB-O 3.3Å; F316-D321 HydrophobicContact CD2-CB 3.96Å; F316-D321 HydrophobicContact CE2-CB 4.11Å; F316-S350 CarbonylContact O-C 3.53Å; F316-S350 VanDerWaalsContact O-CA 3.28Å; F316-S350 WeakPolarHBondContact O-CA 3.39Å; F316-Y351 HydrophobicContact CB-CD2 4.29Å; F316-Y351 PolarHBondContact N-O 2.84Å; F316-Y351 PolarHBondContact O-N 3.44Å
317	N	93.4	Very high	76.4	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.011	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.9	177.1	-56.7	-81.5	0	0	0	110.3	V280 N283 D284 I285 T300 T302 G303 V319 F348 S350	V280-N317 WeakPolarHBondContact CG1-O 3.44Å; N283-N317 WeakPolarHBondContact O-CB 3.49Å; N283-N317 PolarHBondContact O-N 2.84Å; N283-N317 PolarHBondContact O-ND2 3.23Å; D284-N317 PolarHBondContact OD1-ND2 3.26Å; I285-N317 HydrophobicContact CD1-CB 4.08Å; I285-N317 HydrophobicContact CG1-CB 3.87Å; T300-N317 HydrophobicContact CG2-CB 4.13Å; T302-N317 PolarHBondContact OG1-ND2 3.26Å; T302-N317 VanDerWaalsContact OG1-ND2 3.09Å; T302-N317 PolarHBondContact OG1-OD1 3.46Å; G303-N317 PolarHBondContact N-ND2 2.98Å; N317-V319 PolarHBondContact O-N 3.4Å; N317-V319 VanDerWaalsContact O-N 3.16Å; N317-F348 HydrophobicContact CB-CE2 4.41Å; N317-S350 WeakPolarHBondContact OD1-CB 3.23Å; N317-S350 PolarHBondContact OD1-OG 3.25Å
318	G	91	Very high	78.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	74.7	-4.1	176.5	0	0	0	0	0	115.4	S336 L349	G318-S336 WeakPolarHBondContact CA-O 3.34Å; G318-S336 WeakPolarHBondContact O-CB 3.26Å; G318-L349 PolarHBondContact N-O 2.7Å
319	V	91.3	Very high	80.2	Confident	14 Å²	14	37.5 Å²	37.5	9%	0.085	23%	0.226	C	C	.	.	S	Bend	trans	-131.8	148.4	170.3	-68.1	0	0	0	0	108.9	Q196 H197 V280 F316 N317 Y351	Q196-V319 HydrophobicContact CB-CG1 4.09Å; H197-V319 HydrophobicContact CB-CG1 3.63Å; V280-V319 HydrophobicContact CB-CG1 4.04Å; V280-V319 HydrophobicContact CG1-CG1 4.03Å; V280-V319 HydrophobicContact CG1-CG2 4.05Å; V280-V319 HydrophobicContact CG2-CG1 4.07Å; F316-V319 HydrophobicContact CB-CG2 4.31Å; F316-V319 WeakPolarHBondContact CB-O 3.3Å; N317-V319 PolarHBondContact O-N 3.4Å; N317-V319 VanDerWaalsContact O-N 3.16Å; V319-Y351 WeakPolarHBondContact O-CD2 3.38Å; V319-Y351 WeakPolarHBondContact O-CE2 3.3Å
320	P	91.4	Very high	82.2	Confident	17 Å²	17	33.5 Å²	33.5	11%	0.11	19%	0.185	C	C	.	.			trans	-71.7	158.6	-179.5	30.7	-36.3	0	0	0	113.2	E325 S336 Y351	P320-E325 HydrophobicContact CB-CB 4.3Å; P320-E325 HydrophobicContact CG-CB 3.89Å; P320-E325 HydrophobicContact CG-CG 4.5Å; P320-S336 WeakPolarHBondContact CD-OG 3.45Å; P320-Y351 HydrophobicContact CB-CE2 4.48Å
321	D	89.9	Confident	83.6	Confident	3 Å²	3	30 Å²	30	2%	0.016	17%	0.169	C	C	.	.			trans	-75.2	175.7	158.4	72.6	-77.5	0	0	0	111.2	F316 M323 Y324 E325 Y351	F316-D321 HydrophobicContact CD2-CB 3.96Å; F316-D321 HydrophobicContact CE2-CB 4.11Å; D321-M323 VanDerWaalsContact C-N 3.32Å; D321-M323 PolarHBondContact O-N 3.17Å; D321-M323 WeakPolarHBondContact OD2-CA 3.47Å; D321-M323 VanDerWaalsContact OD2-CB 3.25Å; D321-M323 WeakPolarHBondContact OD2-CB 3.43Å; D321-M323 PolarHBondContact OD2-N 2.82Å; D321-Y324 PolarHBondContact O-N 3.18Å; D321-Y324 WeakPolarHBondContact OD1-CB 3.4Å; D321-Y324 WeakPolarHBondContact OD1-CD2 3.18Å; D321-Y324 PolarHBondContact OD2-N 3.33Å; D321-E325 WeakPolarHBondContact O-CB 3.43Å; D321-E325 PolarHBondContact O-N 3.28Å; D321-Y351 WeakPolarHBondContact OD1-CD1 3.25Å
322	W	89.3	Confident	84.8	Confident	20 Å²	20	26.9 Å²	26.9	8%	0.076	15%	0.147	C	C	.	.	H	α-helix	trans	-55.9	-40.7	-178.4	177.8	96.1	0	0	0	113.5	E325 N326 Q376 Y378 Y868 T912 L913	W322-E325 PolarHBondContact O-N 3.01Å; W322-N326 HydrophobicContact CH2-CB 4.15Å; W322-N326 HydrophobicContact CZ2-CB 3.86Å; W322-N326 PolarHBondContact NE1-ND2 3.14Å; W322-N326 WeakPolarHBondContact O-CB 3.5Å; W322-N326 PolarHBondContact O-N 3.44Å; W322-N326 PolarHBondContact O-ND2 2.66Å; W322-Q376 HydrophobicContact CG-CG 4.24Å; W322-Y378 HydrophobicContact CD2-CD2 4.29Å; W322-Y378 AromaticContact CE3-CD2 3.84Å; W322-Y378 HydrophobicContact CE3-CD2 3.84Å; W322-Y378 HydrophobicContact CE3-CE2 4.31Å; W322-Y378 AromaticContact CH2-CD2 3.74Å; W322-Y378 HydrophobicContact CH2-CD2 3.74Å; W322-Y378 AromaticContact CH2-CE2 3.35Å; W322-Y378 HydrophobicContact CH2-CE2 3.35Å; W322-Y378 HydrophobicContact CZ2-CD2 4.14Å; W322-Y378 AromaticContact CZ2-CE2 3.89Å; W322-Y378 HydrophobicContact CZ2-CE2 3.89Å; W322-Y378 AromaticContact CZ3-CD2 3.54Å; W322-Y378 HydrophobicContact CZ3-CD2 3.54Å; W322-Y378 AromaticContact CZ3-CE2 3.58Å; W322-Y378 HydrophobicContact CZ3-CE2 3.58Å; W322-Y378 HydrophobicContact CZ3-CG 4.39Å; W322-Y868 HydrophobicContact CH2-CD1 4.15Å; W322-Y868 HydrophobicContact CH2-CG 4.46Å; W322-Y868 HydrophobicContact CZ3-CG 4.41Å; W322-T912 WeakPolarHBondContact CZ2-O 3.43Å; W322-L913 HydrophobicContact CH2-CD1 3.85Å; W322-L913 HydrophobicContact CZ2-CB 4.36Å; W322-L913 HydrophobicContact CZ2-CD1 3.81Å
323	M	89.9	Confident	85.1	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.2	-44.4	-178.8	-174.2	-166.5	69.8	0	0	110.6	D321 E325 V327 P379 P386 Y417 F870	D321-M323 VanDerWaalsContact C-N 3.32Å; D321-M323 PolarHBondContact O-N 3.17Å; D321-M323 WeakPolarHBondContact OD2-CA 3.47Å; D321-M323 VanDerWaalsContact OD2-CB 3.25Å; D321-M323 WeakPolarHBondContact OD2-CB 3.43Å; D321-M323 PolarHBondContact OD2-N 2.82Å; M323-E325 VanDerWaalsContact C-N 3.3Å; M323-E325 PolarHBondContact O-N 3.45Å; M323-V327 HydrophobicContact CG-CG2 4.46Å; M323-V327 WeakPolarHBondContact O-CB 3.47Å; M323-V327 WeakPolarHBondContact O-CG2 3.4Å; M323-V327 PolarHBondContact O-N 3.13Å; M323-P379 HydrophobicContact CB-CG 4.11Å; M323-P379 HydrophobicContact CG-CG 4.06Å; M323-P379 HydrophobicContact SD-CG 3.5Å; M323-P379 WeakPolarHBondContact SD-CG 3.46Å; M323-P386 HydrophobicContact CE-CG 3.63Å; M323-Y417 HydrophobicContact CE-CD1 3.86Å; M323-Y417 HydrophobicContact CE-CE1 3.74Å; M323-Y417 HydrophobicContact SD-CE1 4.2Å; M323-F870 HydrophobicContact SD-CB 4.15Å
324	Y	90.8	Very high	85.1	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-71.2	-24.2	177.7	-86.6	-103	0	0	0	112.9	D321 L330 S332 Y351 P386 V388 Y417 V418	D321-Y324 PolarHBondContact O-N 3.18Å; D321-Y324 WeakPolarHBondContact OD1-CB 3.4Å; D321-Y324 WeakPolarHBondContact OD1-CD2 3.18Å; D321-Y324 PolarHBondContact OD2-N 3.33Å; Y324-L330 HydrophobicContact CD1-CB 4.07Å; Y324-L330 HydrophobicContact CD1-CD1 3.66Å; Y324-L330 HydrophobicContact CD1-CG 4.33Å; Y324-L330 HydrophobicContact CD2-CD1 4.46Å; Y324-L330 HydrophobicContact CE1-CB 4.46Å; Y324-L330 HydrophobicContact CE1-CD1 3.77Å; Y324-L330 HydrophobicContact CE1-CD2 4.2Å; Y324-L330 HydrophobicContact CE1-CG 4.37Å; Y324-L330 HydrophobicContact CG-CD1 4.06Å; Y324-S332 WeakPolarHBondContact CB-OG 3.43Å; Y324-S332 WeakPolarHBondContact CD1-OG 3.26Å; Y324-S332 WeakPolarHBondContact O-CB 3.1Å; Y324-S332 PolarHBondContact O-OG 3.45Å; Y324-Y351 HydrophobicContact CD1-CD1 4.48Å; Y324-Y351 AromaticContact CD1-CE1 3.6Å; Y324-Y351 HydrophobicContact CD1-CE1 3.6Å; Y324-Y351 AromaticContact CD2-CD1 3.86Å; Y324-Y351 HydrophobicContact CD2-CD1 3.86Å; Y324-Y351 AromaticContact CD2-CE1 3.78Å; Y324-Y351 HydrophobicContact CD2-CE1 3.78Å; Y324-Y351 HydrophobicContact CE1-CE1 4.02Å; Y324-Y351 HydrophobicContact CE2-CD1 4.21Å; Y324-Y351 HydrophobicContact CE2-CE1 4.18Å; Y324-Y351 AromaticContact CG-CD1 3.98Å; Y324-Y351 HydrophobicContact CG-CD1 3.98Å; Y324-Y351 AromaticContact CG-CE1 3.43Å; Y324-Y351 HydrophobicContact CG-CE1 3.43Å; Y324-Y351 VanDerWaalsContact CG-CE1 3.43Å; Y324-P386 HydrophobicContact CD2-CG 4.33Å; Y324-P386 HydrophobicContact CE2-CG 4.18Å; Y324-V388 HydrophobicContact CD2-CG2 4.31Å; Y324-V388 HydrophobicContact CE2-CG2 3.49Å; Y324-V388 VanDerWaalsContact CE2-CG2 3.49Å; Y324-V388 WeakPolarHBondContact OH-CG2 3.44Å; Y324-Y417 VanDerWaalsContact OH-CA 3.24Å; Y324-Y417 WeakPolarHBondContact OH-CA 3.26Å; Y324-V418 WeakPolarHBondContact CE1-O 3.32Å; Y324-V418 PolarHBondContact OH-N 2.82Å
325	E	88	Confident	84.4	Confident	82 Å²	82	41.2 Å²	41.2	38%	0.383	19%	0.191	S	C	.	.	H	α-helix	trans	-75.2	-43.4	173.2	-176.6	158.6	-138.6	0	0	113	P320 D321 W322 M323 V327 R333	P320-E325 HydrophobicContact CB-CB 4.3Å; P320-E325 HydrophobicContact CG-CB 3.89Å; P320-E325 HydrophobicContact CG-CG 4.5Å; D321-E325 WeakPolarHBondContact O-CB 3.43Å; D321-E325 PolarHBondContact O-N 3.28Å; W322-E325 PolarHBondContact O-N 3.01Å; M323-E325 VanDerWaalsContact C-N 3.3Å; M323-E325 PolarHBondContact O-N 3.45Å; E325-V327 VanDerWaalsContact C-N 3.31Å; E325-V327 PolarHBondContact O-N 3.41Å; E325-R333 IonicContact OE1-CZ 3.21Å; E325-R333 IonicContact OE1-NE 2.8Å; E325-R333 PolarHBondContact OE1-NE 3.3Å; E325-R333 IonicContact OE1-NH2 3.42Å; E325-R333 PolarHBondContact OE1-NH2 2.69Å
326	N	88.1	Confident	84.2	Confident	58 Å²	58	40 Å²	40	31%	0.31	18%	0.184	S	C	.	.	H	α-helix	trans	-87.5	4	-173.1	-69.6	-83.1	0	0	0	114.1	W322 P328 L913	W322-N326 HydrophobicContact CH2-CB 4.15Å; W322-N326 HydrophobicContact CZ2-CB 3.86Å; W322-N326 PolarHBondContact NE1-ND2 3.14Å; W322-N326 WeakPolarHBondContact O-CB 3.5Å; W322-N326 PolarHBondContact O-N 3.44Å; W322-N326 PolarHBondContact O-ND2 2.66Å; N326-P328 WeakPolarHBondContact O-CD 3.23Å; N326-L913 HydrophobicContact CB-CD1 4.3Å
327	V	86.9	Confident	84.2	Confident	2 Å²	2	39 Å²	39	1%	0.012	18%	0.18	C	C	.	.			trans	-107.9	103.5	175.2	169.6	0	0	0	0	110.2	M323 E325 E329 L330 Y868 F870	M323-V327 HydrophobicContact CG-CG2 4.46Å; M323-V327 WeakPolarHBondContact O-CB 3.47Å; M323-V327 WeakPolarHBondContact O-CG2 3.4Å; M323-V327 PolarHBondContact O-N 3.13Å; E325-V327 VanDerWaalsContact C-N 3.31Å; E325-V327 PolarHBondContact O-N 3.41Å; V327-E329 VanDerWaalsContact C-N 3.26Å; V327-E329 PolarHBondContact O-N 2.76Å; V327-L330 HydrophobicContact CB-CD1 4.03Å; V327-L330 HydrophobicContact CB-CG 4.46Å; V327-L330 HydrophobicContact CG1-CB 4.16Å; V327-L330 HydrophobicContact CG1-CD1 3.62Å; V327-L330 HydrophobicContact CG1-CG 3.67Å; V327-L330 PolarHBondContact O-N 3.43Å; V327-Y868 HydrophobicContact CG2-CD2 4.39Å; V327-Y868 HydrophobicContact CG2-CE2 3.59Å; V327-F870 HydrophobicContact CB-CD1 4.32Å; V327-F870 HydrophobicContact CB-CE1 4.37Å; V327-F870 HydrophobicContact CG1-CD1 3.5Å; V327-F870 VanDerWaalsContact CG1-CD1 3.5Å; V327-F870 HydrophobicContact CG1-CE1 3.14Å; V327-F870 HydrophobicContact CG1-CE2 4.35Å; V327-F870 HydrophobicContact CG1-CG 4.24Å; V327-F870 HydrophobicContact CG1-CZ 3.63Å; V327-F870 HydrophobicContact CG2-CB 4.43Å; V327-F870 HydrophobicContact CG2-CD1 3.76Å; V327-F870 HydrophobicContact CG2-CE1 4.29Å; V327-F870 HydrophobicContact CG2-CG 4.2Å
328	P	80.3	Confident	84	Confident	101 Å²	101	41.4 Å²	41.4	66%	0.656	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-57.8	-35.2	179.7	-26.9	35.8	0	0	0	114	N326 L330 E331	N326-P328 WeakPolarHBondContact O-CD 3.23Å; P328-L330 PolarHBondContact O-N 2.99Å; P328-L330 VanDerWaalsContact O-N 3.14Å; P328-E331 PolarHBondContact O-N 3.44Å
329	E	81.9	Confident	84	Confident	48 Å²	48	42.4 Å²	42.4	22%	0.224	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-79.2	8.7	-173.7	-45	97.4	112.7	0	0	114.2	V327 P469 S470 R874	V327-E329 VanDerWaalsContact C-N 3.26Å; V327-E329 PolarHBondContact O-N 2.76Å; E329-P469 WeakPolarHBondContact O-CG 3.5Å; E329-S470 WeakPolarHBondContact O-CB 3.08Å; E329-S470 PolarHBondContact O-N 3.21Å; E329-S470 PolarHBondContact O-OG 2.8Å; E329-R874 IonicContact OE1-CZ 2.81Å; E329-R874 IonicContact OE1-NH1 2.68Å; E329-R874 PolarHBondContact OE1-NH1 2.68Å; E329-R874 IonicContact OE1-NH2 2.71Å; E329-R874 PolarHBondContact OE1-NH2 2.76Å
330	L	82.9	Confident	84	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-109.6	-6.8	167.1	-66.8	169.4	0	0	0	112.4	Y324 V327 P328 S332 G419 P469 F870	Y324-L330 HydrophobicContact CD1-CB 4.07Å; Y324-L330 HydrophobicContact CD1-CD1 3.66Å; Y324-L330 HydrophobicContact CD1-CG 4.33Å; Y324-L330 HydrophobicContact CD2-CD1 4.46Å; Y324-L330 HydrophobicContact CE1-CB 4.46Å; Y324-L330 HydrophobicContact CE1-CD1 3.77Å; Y324-L330 HydrophobicContact CE1-CD2 4.2Å; Y324-L330 HydrophobicContact CE1-CG 4.37Å; Y324-L330 HydrophobicContact CG-CD1 4.06Å; V327-L330 HydrophobicContact CB-CD1 4.03Å; V327-L330 HydrophobicContact CB-CG 4.46Å; V327-L330 HydrophobicContact CG1-CB 4.16Å; V327-L330 HydrophobicContact CG1-CD1 3.62Å; V327-L330 HydrophobicContact CG1-CG 3.67Å; V327-L330 PolarHBondContact O-N 3.43Å; P328-L330 PolarHBondContact O-N 2.99Å; P328-L330 VanDerWaalsContact O-N 3.14Å; L330-S332 PolarHBondContact O-N 3.13Å; L330-G419 VanDerWaalsContact O-O 3.11Å; L330-P469 HydrophobicContact CD2-CG 4.02Å; L330-F870 HydrophobicContact CD1-CD2 4.08Å; L330-F870 HydrophobicContact CD1-CE2 3.79Å; L330-F870 HydrophobicContact CD1-CZ 4.16Å; L330-F870 HydrophobicContact CD2-CE2 3.93Å; L330-F870 HydrophobicContact CD2-CZ 4.23Å; L330-F870 HydrophobicContact CG-CE2 3.94Å; L330-F870 HydrophobicContact CG-CZ 3.96Å
331	E	75.5	Confident	83.8	Confident	77 Å²	77	43.7 Å²	43.7	36%	0.36	20%	0.204	S	C	.	.			trans	48.3	22.8	177.9	-79.3	-169.4	-163.7	0	0	116.2	P328 R333 R334 S335 R472	P328-E331 PolarHBondContact O-N 3.44Å; E331-R333 VanDerWaalsContact C-N 3.3Å; E331-R333 PolarHBondContact O-N 3.49Å; E331-R334 PolarHBondContact O-N 3.07Å; E331-S335 PolarHBondContact O-OG 3.48Å; E331-R472 IonicContact OE2-CZ 3.91Å; E331-R472 IonicContact OE2-NE 3.63Å; E331-R472 PolarHBondContact OE2-NE 3.19Å; E331-R472 IonicContact OE2-NH2 2.87Å; E331-R472 PolarHBondContact OE2-NH2 2.95Å
332	S	74.1	Confident	83.6	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.028	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-57.2	-36.8	-158.3	-42.4	0	0	0	0	114.5	Y324 L330 R334 S335 S336	Y324-S332 WeakPolarHBondContact CB-OG 3.43Å; Y324-S332 WeakPolarHBondContact CD1-OG 3.26Å; Y324-S332 WeakPolarHBondContact O-CB 3.1Å; Y324-S332 PolarHBondContact O-OG 3.45Å; L330-S332 PolarHBondContact O-N 3.13Å; S332-R334 PolarHBondContact O-N 3.35Å; S332-S335 CarbonylContact O-C 3.56Å; S332-S335 PolarHBondContact O-N 3.47Å; S332-S336 PolarHBondContact O-N 3.24Å; S332-S336 PolarHBondContact O-OG 3.26Å
333	R	67	Low	83.5	Confident	174 Å²	174	44 Å²	44	66%	0.657	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-55.9	-13.9	174.4	-72	-179.3	171.5	162.2	-3.6	115	E325 E331	E325-R333 IonicContact OE1-CZ 3.21Å; E325-R333 IonicContact OE1-NE 2.8Å; E325-R333 PolarHBondContact OE1-NE 3.3Å; E325-R333 IonicContact OE1-NH2 3.42Å; E325-R333 PolarHBondContact OE1-NH2 2.69Å; E331-R333 VanDerWaalsContact C-N 3.3Å; E331-R333 PolarHBondContact O-N 3.49Å
334	R	65.9	Low	83.5	Confident	200 Å²	200	47.2 Å²	47.2	76%	0.755	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-119.5	5.7	173.3	-71.8	179.8	174	-96	1	113.7	E331 S332 R472	E331-R334 PolarHBondContact O-N 3.07Å; S332-R334 PolarHBondContact O-N 3.35Å; R334-R472 PolarHBondContact O-NH1 3.32Å
335	S	71.3	Confident	83.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-12.8	-171.3	-58.4	0	0	0	0	113.4	E331 S332 L421 R472	E331-S335 PolarHBondContact O-OG 3.48Å; S332-S335 CarbonylContact O-C 3.56Å; S332-S335 PolarHBondContact O-N 3.47Å; S335-L421 WeakPolarHBondContact O-CD1 3.42Å; S335-L421 WeakPolarHBondContact O-CG 3.45Å; S335-R472 PolarHBondContact OG-NH2 3.42Å
336	S	87.6	Confident	83.8	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.021	21%	0.211	C	C	.	.	S	Bend	trans	-72.8	-22.5	178.8	-57.6	0	0	0	0	114	G318 P320 S332 F348 L349 Y351	G318-S336 WeakPolarHBondContact CA-O 3.34Å; G318-S336 WeakPolarHBondContact O-CB 3.26Å; P320-S336 WeakPolarHBondContact CD-OG 3.45Å; S332-S336 PolarHBondContact O-N 3.24Å; S332-S336 PolarHBondContact O-OG 3.26Å; S336-F348 CarbonylContact O-C 3.55Å; S336-F348 WeakPolarHBondContact O-CA 3.11Å; S336-F348 WeakPolarHBondContact O-CB 3.38Å; S336-L349 PolarHBondContact O-N 3.19Å; S336-Y351 PolarHBondContact OG-OH 3.3Å
337	M	91.3	Very high	84.1	Confident	11 Å²	11	41.7 Å²	41.7	5%	0.054	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	128.8	176.8	-178	163.8	56.4	0	0	111.7	V199 A278 V280 I285 L346 A347 F348	V199-M337 HydrophobicContact CG2-CE 3.98Å; A278-M337 HydrophobicContact CB-CE 4.41Å; A278-M337 HydrophobicContact CB-SD 4.21Å; V280-M337 HydrophobicContact CG2-CE 3.76Å; I285-M337 HydrophobicContact CD1-SD 4.07Å; I285-M337 HydrophobicContact CG1-SD 4.45Å; I285-M337 HydrophobicContact CG2-CE 4.46Å; I285-M337 HydrophobicContact CG2-SD 3.59Å; I285-M337 VanDerWaalsContact CG2-SD 3.59Å; M337-L346 HydrophobicContact CG-CD1 3.64Å; M337-L346 HydrophobicContact CG-CD2 4.4Å; M337-L346 HydrophobicContact CG-CG 4.18Å; M337-L346 HydrophobicContact SD-CD1 4.16Å; M337-L346 HydrophobicContact SD-CD2 3.93Å; M337-L346 HydrophobicContact SD-CG 4.36Å; M337-A347 CarbonylContact C-O 3.56Å; M337-A347 WeakPolarHBondContact CA-O 3.12Å; M337-F348 HydrophobicContact CB-CB 4.27Å; M337-F348 HydrophobicContact CG-CB 4.31Å
338	E	90	Very high	84.4	Confident	53 Å²	53	41.6 Å²	41.6	25%	0.248	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	126.6	-176.1	-165.3	-176.3	-147.8	0	0	112.4	A347 T422 W423	E338-A347 PolarHBondContact N-O 3.01Å; E338-A347 PolarHBondContact O-N 3.34Å; E338-T422 VanDerWaalsContact OE2-CA 3.26Å; E338-T422 WeakPolarHBondContact OE2-CA 3.42Å; E338-T422 PolarHBondContact OE2-N 3.48Å; E338-W423 PolarHBondContact O-NE1 3.32Å; E338-W423 VanDerWaalsContact O-NE1 3.13Å; E338-W423 PolarHBondContact OE2-N 2.9Å
339	F	91.6	Very high	85.1	Confident	20 Å²	20	36.9 Å²	36.9	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	148.6	172.7	-76.5	-82.2	0	0	0	111.9	V199 A201 P202 A278 Y287 F345 L346 L395 W423	V199-F339 HydrophobicContact CG2-CD2 4.37Å; V199-F339 HydrophobicContact CG2-CE2 3.89Å; A201-F339 HydrophobicContact CB-CD1 4.09Å; A201-F339 HydrophobicContact CB-CD2 4.31Å; A201-F339 HydrophobicContact CB-CE1 3.75Å; A201-F339 HydrophobicContact CB-CE2 3.99Å; A201-F339 HydrophobicContact CB-CG 4.35Å; A201-F339 HydrophobicContact CB-CZ 3.7Å; P202-F339 HydrophobicContact CG-CB 4.13Å; A278-F339 HydrophobicContact CB-CE2 3.89Å; A278-F339 HydrophobicContact CB-CZ 3.57Å; Y287-F339 HydrophobicContact CD2-CE1 4.43Å; Y287-F339 HydrophobicContact CD2-CZ 4.4Å; Y287-F339 HydrophobicContact CE2-CE1 4.01Å; Y287-F339 HydrophobicContact CE2-CZ 4.23Å; F339-F345 WeakPolarHBondContact CA-O 3.46Å; F339-L346 HydrophobicContact CD1-CB 4.3Å; F339-L346 HydrophobicContact CD1-CD1 3.83Å; F339-L346 HydrophobicContact CD2-CD1 3.98Å; F339-L346 HydrophobicContact CE1-CB 4.47Å; F339-L346 HydrophobicContact CE1-CD1 4.02Å; F339-L346 HydrophobicContact CE2-CD1 4.17Å; F339-L346 HydrophobicContact CG-CD1 3.81Å; F339-L346 HydrophobicContact CZ-CD1 4.18Å; F339-L395 HydrophobicContact CD1-CD1 4.02Å; F339-L395 HydrophobicContact CE1-CD1 3.58Å; F339-W423 VanDerWaalsContact C-NE1 3.33Å; F339-W423 PolarHBondContact O-NE1 3.31Å
340	S	90.8	Very high	85.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.158	C	C	.	.			trans	-62.5	153.5	164.9	59.8	0	0	0	0	111	P202 D342 G343 L344 F345	P202-S340 WeakPolarHBondContact CG-O 3.37Å; S340-D342 WeakPolarHBondContact CB-OD1 3.37Å; S340-D342 PolarHBondContact O-N 3.22Å; S340-D342 PolarHBondContact OG-OD1 3.25Å; S340-G343 PolarHBondContact O-N 2.99Å; S340-L344 PolarHBondContact OG-N 3.25Å; S340-F345 PolarHBondContact N-O 2.94Å; S340-F345 PolarHBondContact OG-N 3.36Å; S340-F345 PolarHBondContact OG-O 2.87Å
341	P	87.1	Confident	86.1	Confident	59 Å²	59	35 Å²	35	38%	0.383	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-19.8	-179.6	-31.4	36.1	0	0	0	116.4	W423	P341-W423 HydrophobicContact CG-CB 4.14Å
342	D	85.6	Confident	86.9	Confident	27 Å²	27	33.8 Å²	33.8	14%	0.144	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-0	175.5	63.9	-2.2	0	0	0	114.6	S340 L344 S426	S340-D342 WeakPolarHBondContact CB-OD1 3.37Å; S340-D342 PolarHBondContact O-N 3.22Å; S340-D342 PolarHBondContact OG-OD1 3.25Å; D342-L344 HydrophobicContact CB-CG 4.36Å; D342-L344 PolarHBondContact O-N 3.04Å; D342-L344 PolarHBondContact OD1-N 2.99Å; D342-L344 VanDerWaalsContact OD1-N 3.1Å; D342-L344 WeakPolarHBondContact OD2-CD1 3.5Å; D342-S426 VanDerWaalsContact OD2-CB 3.23Å; D342-S426 WeakPolarHBondContact OD2-CB 3.36Å; D342-S426 PolarHBondContact OD2-OG 3.11Å
343	G	87.6	Confident	87.7	Confident	2 Å²	2	33.7 Å²	33.7	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	69.4	8.8	-178.1	0	0	0	0	0	115.4	S340	S340-G343 PolarHBondContact O-N 2.99Å
344	L	88.5	Confident	88.9	Confident	67 Å²	67	28.8 Å²	28.8	35%	0.351	15%	0.145	S	C	.	.	S	Bend	trans	-82.5	-20.2	-178.2	-63	-172.1	0	0	0	113.9	S340 D342 N394 L395	S340-L344 PolarHBondContact OG-N 3.25Å; D342-L344 HydrophobicContact CB-CG 4.36Å; D342-L344 PolarHBondContact O-N 3.04Å; D342-L344 PolarHBondContact OD1-N 2.99Å; D342-L344 VanDerWaalsContact OD1-N 3.1Å; D342-L344 WeakPolarHBondContact OD2-CD1 3.5Å; L344-N394 PolarHBondContact O-OD1 2.79Å; L344-L395 PolarHBondContact O-N 3.36Å
345	F	91.9	Very high	90.1	Very high	25 Å²	25	24.4 Å²	24.4	11%	0.11	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155	173.5	-61.3	-86.9	0	0	0	111.2	F339 S340 V392 V393 N394 W423 A448 F451	F339-F345 WeakPolarHBondContact CA-O 3.46Å; S340-F345 PolarHBondContact N-O 2.94Å; S340-F345 PolarHBondContact OG-N 3.36Å; S340-F345 PolarHBondContact OG-O 2.87Å; F345-V392 HydrophobicContact CB-CG2 4.23Å; F345-V392 HydrophobicContact CD1-CG2 4.27Å; F345-V393 WeakPolarHBondContact CA-O 3.27Å; F345-N394 HydrophobicContact CD1-CB 3.95Å; F345-N394 HydrophobicContact CE1-CB 3.78Å; F345-W423 HydrophobicContact CB-CH2 3.53Å; F345-W423 HydrophobicContact CB-CZ2 3.82Å; F345-W423 HydrophobicContact CD2-CH2 4.45Å; F345-W423 HydrophobicContact CG-CH2 4.1Å; F345-A448 HydrophobicContact CZ-CB 4.27Å; F345-F451 HydrophobicContact CD1-CE2 4.27Å; F345-F451 AromaticContact CD1-CZ 3.94Å; F345-F451 HydrophobicContact CD1-CZ 3.94Å; F345-F451 HydrophobicContact CE1-CE2 4.02Å; F345-F451 AromaticContact CE1-CZ 3.97Å; F345-F451 HydrophobicContact CE1-CZ 3.97Å; F345-F451 HydrophobicContact CG-CZ 4.41Å; F345-F451 HydrophobicContact CZ-CZ 4.47Å
346	L	93.4	Very high	91.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.5	168.9	-179.4	69.2	0	0	0	108.1	A278 I285 I299 M337 F339 V392 V393 L395	A278-L346 HydrophobicContact CB-CD2 3.98Å; I285-L346 HydrophobicContact CG2-CD2 4.31Å; I299-L346 HydrophobicContact CD1-CD2 3.71Å; M337-L346 HydrophobicContact CG-CD1 3.64Å; M337-L346 HydrophobicContact CG-CD2 4.4Å; M337-L346 HydrophobicContact CG-CG 4.18Å; M337-L346 HydrophobicContact SD-CD1 4.16Å; M337-L346 HydrophobicContact SD-CD2 3.93Å; M337-L346 HydrophobicContact SD-CG 4.36Å; F339-L346 HydrophobicContact CD1-CB 4.3Å; F339-L346 HydrophobicContact CD1-CD1 3.83Å; F339-L346 HydrophobicContact CD2-CD1 3.98Å; F339-L346 HydrophobicContact CE1-CB 4.47Å; F339-L346 HydrophobicContact CE1-CD1 4.02Å; F339-L346 HydrophobicContact CE2-CD1 4.17Å; F339-L346 HydrophobicContact CG-CD1 3.81Å; F339-L346 HydrophobicContact CZ-CD1 4.18Å; L346-V392 WeakPolarHBondContact O-CA 3.45Å; L346-V393 HydrophobicContact CB-CG1 3.91Å; L346-V393 PolarHBondContact N-O 2.82Å; L346-V393 PolarHBondContact O-N 3.06Å; L346-L395 HydrophobicContact CB-CD1 3.94Å; L346-L395 HydrophobicContact CB-CG 4.45Å
347	A	94.4	Very high	91.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	144.6	171.4	0	0	0	0	0	109.5	M337 E338 N391 V392 L421 W423 L429	M337-A347 CarbonylContact C-O 3.56Å; M337-A347 WeakPolarHBondContact CA-O 3.12Å; E338-A347 PolarHBondContact N-O 3.01Å; E338-A347 PolarHBondContact O-N 3.34Å; A347-N391 CarbonylContact C-O 3.44Å; A347-N391 WeakPolarHBondContact CA-O 3.35Å; A347-V392 HydrophobicContact CB-CG2 4.49Å; A347-L421 HydrophobicContact CB-CD1 4.08Å; A347-W423 HydrophobicContact CB-CZ2 3.75Å; A347-L429 HydrophobicContact CB-CD1 4.05Å; A347-L429 HydrophobicContact CB-CD2 3.73Å
348	F	94.4	Very high	91.3	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.7	176.5	62.9	-87.4	0	0	0	112.1	I285 I299 T300 N317 S336 M337 S350 N391 P403	I285-F348 HydrophobicContact CD1-CB 3.76Å; I285-F348 HydrophobicContact CD1-CD1 3.75Å; I285-F348 HydrophobicContact CD1-CD2 3.38Å; I285-F348 HydrophobicContact CD1-CE1 4.11Å; I285-F348 HydrophobicContact CD1-CE2 3.76Å; I285-F348 HydrophobicContact CD1-CG 3.36Å; I285-F348 HydrophobicContact CD1-CZ 4.11Å; I299-F348 HydrophobicContact CG2-CE1 4.27Å; I299-F348 HydrophobicContact CG2-CZ 4.5Å; T300-F348 HydrophobicContact CG2-CE2 3.69Å; T300-F348 HydrophobicContact CG2-CZ 3.53Å; N317-F348 HydrophobicContact CB-CE2 4.41Å; S336-F348 CarbonylContact O-C 3.55Å; S336-F348 WeakPolarHBondContact O-CA 3.11Å; S336-F348 WeakPolarHBondContact O-CB 3.38Å; M337-F348 HydrophobicContact CB-CB 4.27Å; M337-F348 HydrophobicContact CG-CB 4.31Å; F348-S350 WeakPolarHBondContact CE2-OG 3.36Å; F348-N391 HydrophobicContact CD1-CB 4.27Å; F348-N391 HydrophobicContact CD2-CB 3.98Å; F348-N391 HydrophobicContact CE1-CB 3.89Å; F348-N391 HydrophobicContact CE2-CB 3.58Å; F348-N391 HydrophobicContact CG-CB 4.33Å; F348-N391 HydrophobicContact CZ-CB 3.53Å; F348-N391 PolarHBondContact N-O 2.99Å; F348-N391 PolarHBondContact O-N 3.38Å; F348-P403 HydrophobicContact CE1-CB 3.97Å; F348-P403 HydrophobicContact CZ-CB 3.64Å; F348-P403 HydrophobicContact CZ-CG 4.41Å
349	L	93.8	Very high	91.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.1	171	-59.5	-179.5	0	0	0	109.4	G318 S336 Y351 V388 T389 V390 V418 L421	G318-L349 PolarHBondContact N-O 2.7Å; S336-L349 PolarHBondContact O-N 3.19Å; L349-Y351 HydrophobicContact CB-CD2 4.48Å; L349-Y351 HydrophobicContact CB-CE1 4.47Å; L349-Y351 HydrophobicContact CB-CE2 3.63Å; L349-Y351 VanDerWaalsContact CD1-OH 3.24Å; L349-Y351 WeakPolarHBondContact CD1-OH 3.29Å; L349-V388 HydrophobicContact CB-CG1 4.31Å; L349-V388 HydrophobicContact CD2-CG1 4.4Å; L349-T389 WeakPolarHBondContact CA-O 3.39Å; L349-V390 HydrophobicContact CD2-CB 4.31Å; L349-V390 HydrophobicContact CD2-CG1 4.39Å; L349-V390 HydrophobicContact CD2-CG2 3.77Å; L349-V418 HydrophobicContact CD1-CG1 4.24Å; L349-V418 HydrophobicContact CD2-CG1 3.86Å; L349-L421 HydrophobicContact CD2-CD1 4.14Å; L349-L421 HydrophobicContact CD2-CD2 4.02Å; L349-L421 HydrophobicContact CD2-CG 4.15Å; L349-L421 HydrophobicContact CG-CD1 4.08Å; L349-L421 HydrophobicContact CG-CG 4.27Å
350	S	93.1	Very high	91.4	Very high	11 Å²	11	35.9 Å²	35.9	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.7	167.4	-60.1	0	0	0	0	109.4	F316 N317 F348 V388 T389 N391	F316-S350 CarbonylContact O-C 3.53Å; F316-S350 VanDerWaalsContact O-CA 3.28Å; F316-S350 WeakPolarHBondContact O-CA 3.39Å; N317-S350 WeakPolarHBondContact OD1-CB 3.23Å; N317-S350 PolarHBondContact OD1-OG 3.25Å; F348-S350 WeakPolarHBondContact CE2-OG 3.36Å; S350-V388 WeakPolarHBondContact O-CA 3.41Å; S350-T389 PolarHBondContact N-O 2.97Å; S350-T389 PolarHBondContact O-N 2.75Å; S350-T389 PolarHBondContact O-OG1 2.84Å; S350-N391 WeakPolarHBondContact CB-ND2 3.21Å; S350-N391 PolarHBondContact OG-ND2 3.16Å
351	Y	92.5	Very high	91.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.7	-179	-50.1	-99.4	0	0	0	107.9	V315 F316 V319 P320 D321 Y324 S336 L349 V388	V315-Y351 CarbonylContact C-O 3.47Å; V315-Y351 VanDerWaalsContact CA-O 3.29Å; V315-Y351 WeakPolarHBondContact CA-O 3.47Å; F316-Y351 HydrophobicContact CB-CD2 4.29Å; F316-Y351 PolarHBondContact N-O 2.84Å; F316-Y351 PolarHBondContact O-N 3.44Å; V319-Y351 WeakPolarHBondContact O-CD2 3.38Å; V319-Y351 WeakPolarHBondContact O-CE2 3.3Å; P320-Y351 HydrophobicContact CB-CE2 4.48Å; D321-Y351 WeakPolarHBondContact OD1-CD1 3.25Å; Y324-Y351 HydrophobicContact CD1-CD1 4.48Å; Y324-Y351 AromaticContact CD1-CE1 3.6Å; Y324-Y351 HydrophobicContact CD1-CE1 3.6Å; Y324-Y351 AromaticContact CD2-CD1 3.86Å; Y324-Y351 HydrophobicContact CD2-CD1 3.86Å; Y324-Y351 AromaticContact CD2-CE1 3.78Å; Y324-Y351 HydrophobicContact CD2-CE1 3.78Å; Y324-Y351 HydrophobicContact CE1-CE1 4.02Å; Y324-Y351 HydrophobicContact CE2-CD1 4.21Å; Y324-Y351 HydrophobicContact CE2-CE1 4.18Å; Y324-Y351 AromaticContact CG-CD1 3.98Å; Y324-Y351 HydrophobicContact CG-CD1 3.98Å; Y324-Y351 AromaticContact CG-CE1 3.43Å; Y324-Y351 HydrophobicContact CG-CE1 3.43Å; Y324-Y351 VanDerWaalsContact CG-CE1 3.43Å; S336-Y351 PolarHBondContact OG-OH 3.3Å; L349-Y351 HydrophobicContact CB-CD2 4.48Å; L349-Y351 HydrophobicContact CB-CE1 4.47Å; L349-Y351 HydrophobicContact CB-CE2 3.63Å; L349-Y351 VanDerWaalsContact CD1-OH 3.24Å; L349-Y351 WeakPolarHBondContact CD1-OH 3.29Å; Y351-V388 HydrophobicContact CD1-CB 4.36Å; Y351-V388 HydrophobicContact CD1-CG1 4Å; Y351-V388 HydrophobicContact CD1-CG2 3.44Å; Y351-V388 VanDerWaalsContact CD1-CG2 3.44Å; Y351-V388 HydrophobicContact CE1-CG1 3.93Å; Y351-V388 HydrophobicContact CE1-CG2 3.96Å; Y351-V388 HydrophobicContact CG-CG2 4.29Å
352	N	92.2	Very high	91.6	Very high	50 Å²	50	38.5 Å²	38.5	27%	0.267	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.3	175.8	176.7	24.7	0	0	0	111	V314 V315 S354 N387	V314-N352 PolarHBondContact O-OD1 2.95Å; V315-N352 HydrophobicContact CG2-CB 4.33Å; N352-S354 PolarHBondContact ND2-OG 3.36Å; N352-S354 VanDerWaalsContact ND2-OG 3.12Å; N352-S354 VanDerWaalsContact OD1-CB 3.23Å; N352-S354 WeakPolarHBondContact OD1-CB 2.95Å; N352-S354 PolarHBondContact OD1-N 3.01Å; N352-S354 PolarHBondContact OD1-OG 2.97Å; N352-N387 HydrophobicContact CB-CB 4.48Å; N352-N387 PolarHBondContact N-O 3.27Å; N352-N387 PolarHBondContact O-N 2.9Å
353	D	92.3	Very high	91.9	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.011	21%	0.206	C	C	.	.			trans	-101.7	11	-173.8	-61.5	15.2	0	0	0	111.6	V314 E355 V356 R377 P386	V314-D353 PolarHBondContact O-N 3.09Å; D353-E355 PolarHBondContact O-N 3.27Å; D353-V356 HydrophobicContact CB-CB 4.14Å; D353-V356 HydrophobicContact CB-CG2 4.12Å; D353-V356 WeakPolarHBondContact O-CB 3.43Å; D353-V356 PolarHBondContact O-N 2.94Å; D353-R377 HydrophobicContact CB-CB 4.39Å; D353-R377 HydrophobicContact CB-CG 4.47Å; D353-P386 VanDerWaalsContact OD1-CB 3.31Å; D353-P386 WeakPolarHBondContact OD1-CB 3.31Å
354	S	90.8	Very high	92	Very high	71 Å²	71	45.5 Å²	45.5	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.2	-176.8	67.5	0	0	0	0	114.9	N352	N352-S354 PolarHBondContact ND2-OG 3.36Å; N352-S354 VanDerWaalsContact ND2-OG 3.12Å; N352-S354 VanDerWaalsContact OD1-CB 3.23Å; N352-S354 WeakPolarHBondContact OD1-CB 2.95Å; N352-S354 PolarHBondContact OD1-N 3.01Å; N352-S354 PolarHBondContact OD1-OG 2.97Å
355	E	91.8	Very high	91.9	Very high	109 Å²	109	43.2 Å²	43.2	51%	0.509	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	1	175.5	-56.4	-164.3	142	0	0	113.5	D353 R384	D353-E355 PolarHBondContact O-N 3.27Å; E355-R384 HydrophobicContact CB-CB 4.41Å; E355-R384 WeakPolarHBondContact O-CB 3.44Å; E355-R384 IonicContact OE1-CZ 3.52Å; E355-R384 IonicContact OE1-NH1 2.67Å; E355-R384 PolarHBondContact OE1-NH1 3.46Å; E355-R384 WeakPolarHBondContact OE2-CD 2.99Å; E355-R384 IonicContact OE2-CZ 3.89Å; E355-R384 IonicContact OE2-NE 2.74Å; E355-R384 IonicContact OE2-NH1 3.11Å; E355-R384 PolarHBondContact OE2-NH1 2.99Å
356	V	93.3	Very high	91.4	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.036	25%	0.251	C	S	.	.	S	Bend	trans	-87.6	131.6	179.6	-178.1	0	0	0	0	109.5	D353 R377 P379 P386	D353-V356 HydrophobicContact CB-CB 4.14Å; D353-V356 HydrophobicContact CB-CG2 4.12Å; D353-V356 WeakPolarHBondContact O-CB 3.43Å; D353-V356 PolarHBondContact O-N 2.94Å; V356-R377 HydrophobicContact CB-CB 4.4Å; V356-R377 HydrophobicContact CG1-CB 4.03Å; V356-R377 PolarHBondContact O-NH1 2.94Å; V356-P379 HydrophobicContact CG1-CB 4.12Å; V356-P379 HydrophobicContact CG1-CG 4.47Å; V356-P386 HydrophobicContact CG2-CB 4.13Å
357	N	92.6	Very high	90.7	Very high	102 Å²	102	56.6 Å²	56.6	55%	0.545	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-67.6	149.1	-179.1	-69.8	-40	0	0	0	112.2	R377 Y378	N357-R377 WeakPolarHBondContact O-CA 3.45Å; N357-Y378 PolarHBondContact O-N 2.79Å
358	E	90.8	Very high	90	Very high	75 Å²	75	60.6 Å²	60.6	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123	173.6	-74.8	165.8	-133.2	0	0	111.3	K360 S375 Q376 R377	E358-K360 HydrophobicContact CB-CG 4.5Å; E358-K360 WeakPolarHBondContact OE2-CE 3.41Å; E358-K360 IonicContact OE2-NZ 3.83Å; E358-K360 PolarHBondContact OE2-NZ 2.85Å; E358-S375 WeakPolarHBondContact CB-OG 3.44Å; E358-S375 WeakPolarHBondContact CG-OG 3.45Å; E358-S375 PolarHBondContact OE2-OG 3.28Å; E358-Q376 CarbonylContact C-O 3.47Å; E358-Q376 WeakPolarHBondContact CA-O 3.34Å; E358-R377 HydrophobicContact CG-CG 4.14Å; E358-R377 IonicContact OE1-CZ 2.98Å; E358-R377 VanDerWaalsContact OE1-CZ 3.29Å; E358-R377 IonicContact OE1-NH1 3.87Å; E358-R377 PolarHBondContact OE1-NH1 3.27Å; E358-R377 VanDerWaalsContact OE1-NH1 3.09Å; E358-R377 IonicContact OE1-NH2 3.27Å; E358-R377 PolarHBondContact OE1-NH2 2.83Å
359	Y	90.8	Very high	89.7	Confident	32 Å²	32	69.9 Å²	69.9	13%	0.125	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	144.3	155.4	175.2	-113.7	0	0	0	109.3	Y361 S375 Q376 H915	Y359-Y361 HydrophobicContact CD1-CD1 4.05Å; Y359-Y361 AromaticContact CE1-CD1 3.84Å; Y359-Y361 HydrophobicContact CE1-CD1 3.84Å; Y359-Y361 HydrophobicContact CE1-CG 4.19Å; Y359-S375 CarbonylContact O-C 3.55Å; Y359-S375 WeakPolarHBondContact O-CA 3.16Å; Y359-Q376 PolarHBondContact N-O 2.73Å; Y359-Q376 PolarHBondContact O-N 3.36Å; Y359-H915 AromaticContact CD1-CD2 3.3Å; Y359-H915 WeakPolarHBondContact CD1-CD2 3.42Å; Y359-H915 AromaticContact CD1-CE1 3.73Å; Y359-H915 AromaticContact CD1-CG 3.77Å; Y359-H915 AromaticContact CD1-NE2 3.27Å; Y359-H915 VanDerWaalsContact CD1-NE2 3.27Å; Y359-H915 WeakPolarHBondContact CD1-NE2 3.45Å; Y359-H915 AromaticContact CD2-CE1 3.83Å; Y359-H915 AromaticContact CD2-CG 3.95Å; Y359-H915 AromaticContact CD2-ND1 3.65Å; Y359-H915 HydrophobicContact CE1-CB 4Å; Y359-H915 AromaticContact CE1-CD2 3.32Å; Y359-H915 WeakPolarHBondContact CE1-CD2 3.44Å; Y359-H915 AromaticContact CE1-CG 3.61Å; Y359-H915 AromaticContact CE1-NE2 3.84Å; Y359-H915 HydrophobicContact CE2-CB 3.91Å; Y359-H915 AromaticContact CE2-CG 3.82Å; Y359-H915 AromaticContact CE2-ND1 3.91Å; Y359-H915 AromaticContact CG-CD2 3.81Å; Y359-H915 AromaticContact CG-CE1 3.43Å; Y359-H915 VanDerWaalsContact CG-CE1 3.43Å; Y359-H915 AromaticContact CG-CG 3.94Å; Y359-H915 AromaticContact CG-ND1 3.71Å; Y359-H915 AromaticContact CG-NE2 3.48Å; Y359-H915 AromaticContact CZ-CD2 3.88Å; Y359-H915 AromaticContact CZ-CG 3.65Å
360	K	91.7	Very high	89.5	Confident	114 Å²	114	79.2 Å²	79.2	50%	0.496	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.7	-179.4	-56.9	-164.2	-177.3	-151	0	110.7	E358 V373 M374 S375	E358-K360 HydrophobicContact CB-CG 4.5Å; E358-K360 WeakPolarHBondContact OE2-CE 3.41Å; E358-K360 IonicContact OE2-NZ 3.83Å; E358-K360 PolarHBondContact OE2-NZ 2.85Å; K360-V373 HydrophobicContact CB-CG1 3.94Å; K360-V373 HydrophobicContact CD-CG1 4.42Å; K360-M374 VanDerWaalsContact CA-O 3.24Å; K360-M374 WeakPolarHBondContact CA-O 3.37Å; K360-S375 WeakPolarHBondContact CE-OG 3.2Å
361	Y	91.4	Very high	89.3	Confident	37 Å²	37	81.5 Å²	81.5	15%	0.145	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.2	-176.1	62.8	-84.8	0	0	0	111.4	Y359 W363 V373 M374 A910 T912	Y359-Y361 HydrophobicContact CD1-CD1 4.05Å; Y359-Y361 AromaticContact CE1-CD1 3.84Å; Y359-Y361 HydrophobicContact CE1-CD1 3.84Å; Y359-Y361 HydrophobicContact CE1-CG 4.19Å; Y361-W363 HydrophobicContact CE2-CE3 4.4Å; Y361-V373 WeakPolarHBondContact O-CA 3.06Å; Y361-M374 HydrophobicContact CD1-CB 4.07Å; Y361-M374 HydrophobicContact CD2-CB 4.02Å; Y361-M374 HydrophobicContact CE1-CB 3.62Å; Y361-M374 HydrophobicContact CE2-CB 3.56Å; Y361-M374 HydrophobicContact CE2-CG 3.98Å; Y361-M374 HydrophobicContact CG-CB 4.26Å; Y361-M374 PolarHBondContact N-O 2.91Å; Y361-M374 PolarHBondContact O-N 3.14Å; Y361-A910 HydrophobicContact CD2-CB 4.07Å; Y361-A910 HydrophobicContact CE2-CB 3.72Å; Y361-T912 HydrophobicContact CE1-CG2 4.15Å
362	T	90.8	Very high	89.1	Confident	76 Å²	76	83 Å²	83	47%	0.466	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.8	-179.6	-54.1	0	0	0	0	109.9	M364 P371	T362-M364 HydrophobicContact CG2-SD 4.21Å; T362-P371 HydrophobicContact CG2-CB 3.44Å; T362-P371 VanDerWaalsContact CG2-CB 3.44Å; T362-P371 HydrophobicContact CG2-CG 4.38Å
363	W	91.3	Very high	89	Confident	84 Å²	84	85.3 Å²	85.3	32%	0.318	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.6	173.3	-178.4	-92.3	0	0	0	109.3	Y361 P371 A372 M374 A910 D940	Y361-W363 HydrophobicContact CE2-CE3 4.4Å; W363-P371 CarbonylContact O-C 3.59Å; W363-P371 VanDerWaalsContact O-CA 3.28Å; W363-P371 WeakPolarHBondContact O-CA 3.43Å; W363-P371 WeakPolarHBondContact O-CB 3.23Å; W363-A372 HydrophobicContact CB-CB 4.46Å; W363-A372 PolarHBondContact N-O 3.47Å; W363-A372 PolarHBondContact O-N 2.72Å; W363-M374 HydrophobicContact CB-CG 3.81Å; W363-M374 HydrophobicContact CG-CG 4.4Å; W363-A910 HydrophobicContact CE3-CB 4.01Å; W363-A910 HydrophobicContact CZ3-CB 3.86Å; W363-D940 WeakPolarHBondContact CA-OD1 3.11Å; W363-D940 HydrophobicContact CD2-CB 4.24Å; W363-D940 HydrophobicContact CE3-CB 3.87Å; W363-D940 HydrophobicContact CH2-CB 3.82Å; W363-D940 HydrophobicContact CZ2-CB 4.17Å; W363-D940 HydrophobicContact CZ3-CB 3.65Å
364	M	89.8	Confident	88.8	Confident	92 Å²	92	87.9 Å²	87.9	45%	0.453	45%	0.445	S	S	.	.			trans	-76	-51.3	-175	-57.5	-64.5	-65.4	0	0	111	T362 I368 P371 P939 D940	T362-M364 HydrophobicContact CG2-SD 4.21Å; M364-I368 WeakPolarHBondContact O-CB 3.42Å; M364-P371 HydrophobicContact CE-CG 3.83Å; M364-P371 HydrophobicContact SD-CB 3.95Å; M364-P371 HydrophobicContact SD-CG 3.57Å; M364-P371 VanDerWaalsContact SD-CG 3.57Å; M364-P939 HydrophobicContact CG-CB 4.35Å; M364-D940 WeakPolarHBondContact CB-OD2 3.36Å; M364-D940 PolarHBondContact N-OD1 2.87Å; M364-D940 PolarHBondContact N-OD2 2.87Å; M364-D940 VanDerWaalsContact N-OD2 3.14Å
365	G	86.6	Confident	88.6	Confident	19 Å²	19	85.2 Å²	85.2	20%	0.196	43%	0.426	C	S	.	.			trans	69.8	152.5	-177.1	0	0	0	0	0	114	D367 D940	G365-D367 VanDerWaalsContact C-N 3.33Å; G365-D367 PolarHBondContact O-N 2.85Å; G365-D940 PolarHBondContact N-OD2 2.8Å
366	D	81.6	Confident	88.5	Confident	143 Å²	143	82.1 Å²	82.1	77%	0.765	41%	0.412	S	S	*	.	S	Bend	trans	-71	-23.5	-173.4	-62.1	-63	0	0	0	113.8	R947	D366-R947 IonicContact OD1-NH2 2.98Å; D366-R947 IonicContact OD2-NH2 2.9Å
367	D	78.6	Confident	88.4	Confident	163 Å²	163	83.1 Å²	83.1	87%	0.872	42%	0.415	S	S	*	.	S	Bend	trans	-129.6	11	-174.9	-92.4	-54.9	0	0	0	114.8	G365	G365-D367 VanDerWaalsContact C-N 3.33Å; G365-D367 PolarHBondContact O-N 2.85Å
368	I	81	Confident	88.4	Confident	85 Å²	85	78.4 Å²	78.4	44%	0.436	39%	0.39	S	S	.	.			trans	-96.8	120.2	-171.5	-34.9	179.5	0	0	0	111.9	M364 Y370	M364-I368 WeakPolarHBondContact O-CB 3.42Å; I368-Y370 VanDerWaalsContact C-N 3.3Å; I368-Y370 WeakPolarHBondContact CG2-O 3.41Å; I368-Y370 PolarHBondContact O-N 3.4Å
369	K	87.1	Confident	88.5	Confident	195 Å²	195	74.9 Å²	74.9	85%	0.848	37%	0.373	S	S	*	.	S	Bend	trans	-71.5	-20.6	-180	-67.8	-174.4	-179.6	178.3	0	115
370	Y	88.8	Confident	88.7	Confident	197 Å²	197	75.9 Å²	75.9	77%	0.773	38%	0.378	S	S	*	.	S	Bend	trans	-134.3	112.8	177.3	-66.8	-77.4	0	0	0	106.7	I368 A372	I368-Y370 VanDerWaalsContact C-N 3.3Å; I368-Y370 WeakPolarHBondContact CG2-O 3.41Å; I368-Y370 PolarHBondContact O-N 3.4Å; Y370-A372 PolarHBondContact O-N 3.18Å
371	P	89.1	Confident	88.8	Confident	60 Å²	60	71.1 Å²	71.1	39%	0.39	36%	0.359	S	S	.	.			trans	-51.3	136	-177.8	-31.4	37.7	0	0	0	112.5	T362 W363 M364	T362-P371 HydrophobicContact CG2-CB 3.44Å; T362-P371 VanDerWaalsContact CG2-CB 3.44Å; T362-P371 HydrophobicContact CG2-CG 4.38Å; W363-P371 CarbonylContact O-C 3.59Å; W363-P371 VanDerWaalsContact O-CA 3.28Å; W363-P371 WeakPolarHBondContact O-CA 3.43Å; W363-P371 WeakPolarHBondContact O-CB 3.23Å; M364-P371 HydrophobicContact CE-CG 3.83Å; M364-P371 HydrophobicContact SD-CB 3.95Å; M364-P371 HydrophobicContact SD-CG 3.57Å; M364-P371 VanDerWaalsContact SD-CG 3.57Å
372	A	88.9	Confident	88.7	Confident	30 Å²	30	71.6 Å²	71.6	25%	0.248	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	152.5	177.3	0	0	0	0	0	110.3	W363 Y370 M374	W363-A372 HydrophobicContact CB-CB 4.46Å; W363-A372 PolarHBondContact N-O 3.47Å; W363-A372 PolarHBondContact O-N 2.72Å; Y370-A372 PolarHBondContact O-N 3.18Å; A372-M374 HydrophobicContact CB-CE 4.05Å
373	V	89.4	Confident	88.8	Confident	100 Å²	100	69.1 Å²	69.1	61%	0.606	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	110	168.5	179.7	0	0	0	0	107.8	K360 Y361	K360-V373 HydrophobicContact CB-CG1 3.94Å; K360-V373 HydrophobicContact CD-CG1 4.42Å; Y361-V373 WeakPolarHBondContact O-CA 3.06Å
374	M	88.3	Confident	88.8	Confident	55 Å²	55	72 Å²	72	27%	0.271	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	155.8	172.1	-68.5	-66.5	96.5	0	0	110.3	K360 Y361 W363 A372	K360-M374 VanDerWaalsContact CA-O 3.24Å; K360-M374 WeakPolarHBondContact CA-O 3.37Å; Y361-M374 HydrophobicContact CD1-CB 4.07Å; Y361-M374 HydrophobicContact CD2-CB 4.02Å; Y361-M374 HydrophobicContact CE1-CB 3.62Å; Y361-M374 HydrophobicContact CE2-CB 3.56Å; Y361-M374 HydrophobicContact CE2-CG 3.98Å; Y361-M374 HydrophobicContact CG-CB 4.26Å; Y361-M374 PolarHBondContact N-O 2.91Å; Y361-M374 PolarHBondContact O-N 3.14Å; W363-M374 HydrophobicContact CB-CG 3.81Å; W363-M374 HydrophobicContact CG-CG 4.4Å; A372-M374 HydrophobicContact CB-CE 4.05Å
375	S	87.9	Confident	89	Confident	15 Å²	15	68.7 Å²	68.7	11%	0.105	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.7	-179.6	-160.5	0	0	0	0	109.2	T312 E358 Y359 K360	T312-S375 WeakPolarHBondContact CG2-O 3.25Å; E358-S375 WeakPolarHBondContact CB-OG 3.44Å; E358-S375 WeakPolarHBondContact CG-OG 3.45Å; E358-S375 PolarHBondContact OE2-OG 3.28Å; Y359-S375 CarbonylContact O-C 3.55Å; Y359-S375 WeakPolarHBondContact O-CA 3.16Å; K360-S375 WeakPolarHBondContact CE-OG 3.2Å
376	Q	88.3	Confident	89.2	Confident	44 Å²	44	68.2 Å²	68.2	21%	0.206	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.4	174.9	176.7	53.3	64.1	0	0	108.6	W322 E358 Y359 Y378	W322-Q376 HydrophobicContact CG-CG 4.24Å; E358-Q376 CarbonylContact C-O 3.47Å; E358-Q376 WeakPolarHBondContact CA-O 3.34Å; Y359-Q376 PolarHBondContact N-O 2.73Å; Y359-Q376 PolarHBondContact O-N 3.36Å; Q376-Y378 PolarHBondContact O-N 2.8Å
377	R	90.9	Very high	89.7	Confident	28 Å²	28	65.8 Å²	65.8	11%	0.106	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.2	171.8	-62.9	-169.2	-175.4	-66.9	-23.5	109	T312 D353 V356 N357 E358	T312-R377 PolarHBondContact OG1-NH2 2.85Å; D353-R377 HydrophobicContact CB-CB 4.39Å; D353-R377 HydrophobicContact CB-CG 4.47Å; V356-R377 HydrophobicContact CB-CB 4.4Å; V356-R377 HydrophobicContact CG1-CB 4.03Å; V356-R377 PolarHBondContact O-NH1 2.94Å; N357-R377 WeakPolarHBondContact O-CA 3.45Å; E358-R377 HydrophobicContact CG-CG 4.14Å; E358-R377 IonicContact OE1-CZ 2.98Å; E358-R377 VanDerWaalsContact OE1-CZ 3.29Å; E358-R377 IonicContact OE1-NH1 3.87Å; E358-R377 PolarHBondContact OE1-NH1 3.27Å; E358-R377 VanDerWaalsContact OE1-NH1 3.09Å; E358-R377 IonicContact OE1-NH2 3.27Å; E358-R377 PolarHBondContact OE1-NH2 2.83Å
378	Y	92.8	Very high	90.4	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.012	30%	0.3	C	S	.	.			trans	-146.9	110.2	-172.2	-171.2	-78.9	0	0	0	110.3	W322 N357 Q376 K380 H867 Y868 T912 L913 H915	W322-Y378 HydrophobicContact CD2-CD2 4.29Å; W322-Y378 AromaticContact CE3-CD2 3.84Å; W322-Y378 HydrophobicContact CE3-CD2 3.84Å; W322-Y378 HydrophobicContact CE3-CE2 4.31Å; W322-Y378 AromaticContact CH2-CD2 3.74Å; W322-Y378 HydrophobicContact CH2-CD2 3.74Å; W322-Y378 AromaticContact CH2-CE2 3.35Å; W322-Y378 HydrophobicContact CH2-CE2 3.35Å; W322-Y378 HydrophobicContact CZ2-CD2 4.14Å; W322-Y378 AromaticContact CZ2-CE2 3.89Å; W322-Y378 HydrophobicContact CZ2-CE2 3.89Å; W322-Y378 AromaticContact CZ3-CD2 3.54Å; W322-Y378 HydrophobicContact CZ3-CD2 3.54Å; W322-Y378 AromaticContact CZ3-CE2 3.58Å; W322-Y378 HydrophobicContact CZ3-CE2 3.58Å; W322-Y378 HydrophobicContact CZ3-CG 4.39Å; N357-Y378 PolarHBondContact O-N 2.79Å; Q376-Y378 PolarHBondContact O-N 2.8Å; Y378-K380 HydrophobicContact CD1-CG 3.72Å; Y378-K380 HydrophobicContact CE1-CG 3.89Å; Y378-K380 PolarHBondContact O-N 2.95Å; Y378-K380 VanDerWaalsContact O-N 3.13Å; Y378-H867 PolarHBondContact OH-ND1 2.6Å; Y378-Y868 PolarHBondContact OH-N 2.8Å; Y378-T912 WeakPolarHBondContact CE2-O 3.21Å; Y378-L913 PolarHBondContact OH-O 3.31Å; Y378-H915 AromaticContact CD1-CE1 3.53Å; Y378-H915 AromaticContact CD2-CE1 3.49Å; Y378-H915 VanDerWaalsContact CD2-CE1 3.49Å; Y378-H915 WeakPolarHBondContact CD2-CE1 3.41Å; Y378-H915 AromaticContact CD2-NE2 3.26Å; Y378-H915 VanDerWaalsContact CD2-NE2 3.26Å; Y378-H915 WeakPolarHBondContact CD2-NE2 3.48Å; Y378-H915 AromaticContact CE1-CE1 3.61Å; Y378-H915 AromaticContact CE2-CE1 3.57Å; Y378-H915 AromaticContact CE2-NE2 3.39Å; Y378-H915 WeakPolarHBondContact CE2-NE2 3.23Å; Y378-H915 AromaticContact CG-CE1 3.44Å; Y378-H915 VanDerWaalsContact CG-CE1 3.44Å; Y378-H915 AromaticContact CG-NE2 3.67Å; Y378-H915 AromaticContact CZ-CE1 3.62Å; Y378-H915 AromaticContact CZ-NE2 3.89Å
379	P	94.3	Very high	90.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	29%	0.289	C	S	.	.			trans	-79.6	96.4	179.3	31.5	-32.7	0	0	0	110.3	M323 V356 R384 Y868 S869	M323-P379 HydrophobicContact CB-CG 4.11Å; M323-P379 HydrophobicContact CG-CG 4.06Å; M323-P379 HydrophobicContact SD-CG 3.5Å; M323-P379 WeakPolarHBondContact SD-CG 3.46Å; V356-P379 HydrophobicContact CG1-CB 4.12Å; V356-P379 HydrophobicContact CG1-CG 4.47Å; P379-R384 WeakPolarHBondContact CB-O 3.12Å; P379-Y868 CarbonylContact O-C 3.59Å; P379-Y868 WeakPolarHBondContact O-CA 3.29Å; P379-S869 PolarHBondContact O-N 3.24Å; P379-S869 PolarHBondContact O-OG 2.94Å
380	K	94.2	Very high	91.2	Very high	52 Å²	52	47.2 Å²	47.2	23%	0.226	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-65.6	157.5	171.6	-67.4	-175.1	170	171.7	0	112.1	Y378 G382 S383 F866 H867 E917	Y378-K380 HydrophobicContact CD1-CG 3.72Å; Y378-K380 HydrophobicContact CE1-CG 3.89Å; Y378-K380 PolarHBondContact O-N 2.95Å; Y378-K380 VanDerWaalsContact O-N 3.13Å; K380-G382 PolarHBondContact O-N 3.1Å; K380-S383 PolarHBondContact N-OG 3.06Å; K380-S383 VanDerWaalsContact N-OG 3.12Å; K380-S383 VanDerWaalsContact O-CB 3.23Å; K380-S383 WeakPolarHBondContact O-CB 3.37Å; K380-S383 PolarHBondContact O-N 2.87Å; K380-S383 PolarHBondContact O-OG 3.48Å; K380-F866 WeakPolarHBondContact CD-O 3.12Å; K380-F866 VanDerWaalsContact CE-O 3.27Å; K380-F866 WeakPolarHBondContact CE-O 3.46Å; K380-F866 WeakPolarHBondContact CG-O 3.46Å; K380-H867 WeakPolarHBondContact CA-O 3.46Å; K380-E917 WeakPolarHBondContact CE-OE1 3.4Å; K380-E917 IonicContact NZ-OE1 3.75Å; K380-E917 PolarHBondContact NZ-OE1 2.85Å; K380-E917 IonicContact NZ-OE2 3.66Å; K380-E917 PolarHBondContact NZ-OE2 3.39Å
381	T	92.9	Very high	91.5	Very high	15 Å²	15	38.7 Å²	38.7	9%	0.092	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	128.6	173.1	-49.9	0	0	0	0	112.8	S383 F864 H867 T872 E873 L878 Y882	T381-S383 PolarHBondContact O-N 3.19Å; T381-F864 PolarHBondContact OG1-O 2.67Å; T381-H867 PolarHBondContact N-O 3.28Å; T381-H867 PolarHBondContact OG1-O 3.31Å; T381-H867 VanDerWaalsContact OG1-O 3.09Å; T381-T872 HydrophobicContact CG2-CG2 3.49Å; T381-T872 VanDerWaalsContact CG2-CG2 3.49Å; T381-T872 WeakPolarHBondContact OG1-CB 3.4Å; T381-T872 WeakPolarHBondContact OG1-CG2 3.42Å; T381-T872 PolarHBondContact OG1-OG1 2.85Å; T381-E873 HydrophobicContact CG2-CG 3.93Å; T381-L878 HydrophobicContact CG2-CD2 4.41Å; T381-Y882 HydrophobicContact CG2-CE2 4.3Å; T381-Y882 VanDerWaalsContact CG2-OH 3.23Å; T381-Y882 WeakPolarHBondContact CG2-OH 3.5Å
382	G	90.1	Very high	91.7	Very high	46 Å²	46	36 Å²	36	47%	0.474	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-7.2	-179.4	0	0	0	0	0	115.8	K380 E873	K380-G382 PolarHBondContact O-N 3.1Å; G382-E873 PolarHBondContact N-OE1 2.75Å
383	S	92.8	Very high	92	Very high	24 Å²	24	34.6 Å²	34.6	17%	0.168	19%	0.187	C	C	.	.	S	Bend	trans	-81.8	-169.9	178.8	78.1	0	0	0	0	112.8	K380 T381 R436	K380-S383 PolarHBondContact N-OG 3.06Å; K380-S383 VanDerWaalsContact N-OG 3.12Å; K380-S383 VanDerWaalsContact O-CB 3.23Å; K380-S383 WeakPolarHBondContact O-CB 3.37Å; K380-S383 PolarHBondContact O-N 2.87Å; K380-S383 PolarHBondContact O-OG 3.48Å; T381-S383 PolarHBondContact O-N 3.19Å; S383-R436 VanDerWaalsContact O-CZ 3.29Å; S383-R436 PolarHBondContact O-NH1 3.01Å; S383-R436 PolarHBondContact O-NH2 2.99Å
384	R	92.6	Very high	92.1	Very high	145 Å²	145	33.1 Å²	33.1	55%	0.547	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-85.6	134.1	175.2	-67.5	-171.8	-176.9	-145.7	12	110.3	E355 P379	E355-R384 HydrophobicContact CB-CB 4.41Å; E355-R384 WeakPolarHBondContact O-CB 3.44Å; E355-R384 IonicContact OE1-CZ 3.52Å; E355-R384 IonicContact OE1-NH1 2.67Å; E355-R384 PolarHBondContact OE1-NH1 3.46Å; E355-R384 WeakPolarHBondContact OE2-CD 2.99Å; E355-R384 IonicContact OE2-CZ 3.89Å; E355-R384 IonicContact OE2-NE 2.74Å; E355-R384 IonicContact OE2-NH1 3.11Å; E355-R384 PolarHBondContact OE2-NH1 2.99Å; P379-R384 WeakPolarHBondContact CB-O 3.12Å
385	N	92.8	Very high	92.2	Very high	22 Å²	22	30.9 Å²	30.9	12%	0.118	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-88.1	159.2	176.2	-68.2	-8.4	0	0	0	110.5	Y417 S869	N385-Y417 HydrophobicContact CB-CE1 4.48Å; N385-Y417 WeakPolarHBondContact ND2-CE1 3.23Å; N385-Y417 VanDerWaalsContact ND2-CZ 3.29Å; N385-Y417 PolarHBondContact ND2-OH 2.9Å; N385-S869 WeakPolarHBondContact OD1-CB 3.44Å; N385-S869 PolarHBondContact OD1-OG 3.37Å
386	P	91.8	Very high	92	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.065	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-58.9	138.8	171.8	26	-36.1	0	0	0	111.3	M323 Y324 D353 V356 V388	M323-P386 HydrophobicContact CE-CG 3.63Å; Y324-P386 HydrophobicContact CD2-CG 4.33Å; Y324-P386 HydrophobicContact CE2-CG 4.18Å; D353-P386 VanDerWaalsContact OD1-CB 3.31Å; D353-P386 WeakPolarHBondContact OD1-CB 3.31Å; V356-P386 HydrophobicContact CG2-CB 4.13Å; P386-V388 PolarHBondContact O-N 2.84Å
387	N	91.8	Very high	91.7	Very high	92 Å²	92	35 Å²	35	49%	0.492	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	107.2	179.2	-178.2	8.3	0	0	0	109.3	N352	N352-N387 HydrophobicContact CB-CB 4.48Å; N352-N387 PolarHBondContact N-O 3.27Å; N352-N387 PolarHBondContact O-N 2.9Å
388	V	91.8	Very high	91.3	Very high	18 Å²	18	37 Å²	37	11%	0.109	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.7	-174	-175.5	0	0	0	0	111.2	Y324 L349 S350 Y351 P386 V418	Y324-V388 HydrophobicContact CD2-CG2 4.31Å; Y324-V388 HydrophobicContact CE2-CG2 3.49Å; Y324-V388 VanDerWaalsContact CE2-CG2 3.49Å; Y324-V388 WeakPolarHBondContact OH-CG2 3.44Å; L349-V388 HydrophobicContact CB-CG1 4.31Å; L349-V388 HydrophobicContact CD2-CG1 4.4Å; S350-V388 WeakPolarHBondContact O-CA 3.41Å; Y351-V388 HydrophobicContact CD1-CB 4.36Å; Y351-V388 HydrophobicContact CD1-CG1 4Å; Y351-V388 HydrophobicContact CD1-CG2 3.44Å; Y351-V388 VanDerWaalsContact CD1-CG2 3.44Å; Y351-V388 HydrophobicContact CE1-CG1 3.93Å; Y351-V388 HydrophobicContact CE1-CG2 3.96Å; Y351-V388 HydrophobicContact CG-CG2 4.29Å; P386-V388 PolarHBondContact O-N 2.84Å; V388-V418 HydrophobicContact CB-CG2 4.44Å; V388-V418 HydrophobicContact CG1-CB 4.27Å; V388-V418 HydrophobicContact CG1-CG2 4.14Å
389	T	92.1	Very high	90.6	Very high	33 Å²	33	44.6 Å²	44.6	20%	0.202	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.6	-178.2	62.5	0	0	0	0	110.9	L349 S350 N391 Q405	L349-T389 WeakPolarHBondContact CA-O 3.39Å; S350-T389 PolarHBondContact N-O 2.97Å; S350-T389 PolarHBondContact O-N 2.75Å; S350-T389 PolarHBondContact O-OG1 2.84Å; T389-N391 PolarHBondContact OG1-ND2 2.79Å; T389-Q405 VanDerWaalsContact CG2-NE2 3.32Å
390	V	93.3	Very high	89.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.1	174.8	-170.7	0	0	0	0	108.8	L349 I406 L408 V418 L421 L429 V431	L349-V390 HydrophobicContact CD2-CB 4.31Å; L349-V390 HydrophobicContact CD2-CG1 4.39Å; L349-V390 HydrophobicContact CD2-CG2 3.77Å; V390-I406 HydrophobicContact CB-CB 4.3Å; V390-I406 HydrophobicContact CG1-CB 4.45Å; V390-I406 HydrophobicContact CG1-CD1 3.97Å; V390-I406 HydrophobicContact CG1-CG1 4.47Å; V390-I406 PolarHBondContact O-N 2.66Å; V390-L408 HydrophobicContact CG2-CD1 4.32Å; V390-V418 HydrophobicContact CG2-CG1 4.23Å; V390-L421 HydrophobicContact CG1-CD2 3.86Å; V390-L429 HydrophobicContact CG1-CD2 4.27Å; V390-V431 HydrophobicContact CG1-CG2 4.3Å; V390-V431 HydrophobicContact CG2-CG1 3.98Å; V390-V431 HydrophobicContact CG2-CG2 4.47Å
391	N	94.7	Very high	89.3	Confident	18 Å²	18	49.7 Å²	49.7	10%	0.096	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.6	-179.2	-64.4	-68.4	0	0	0	110	A347 F348 S350 T389 T404 Q405	A347-N391 CarbonylContact C-O 3.44Å; A347-N391 WeakPolarHBondContact CA-O 3.35Å; F348-N391 HydrophobicContact CD1-CB 4.27Å; F348-N391 HydrophobicContact CD2-CB 3.98Å; F348-N391 HydrophobicContact CE1-CB 3.89Å; F348-N391 HydrophobicContact CE2-CB 3.58Å; F348-N391 HydrophobicContact CG-CB 4.33Å; F348-N391 HydrophobicContact CZ-CB 3.53Å; F348-N391 PolarHBondContact N-O 2.99Å; F348-N391 PolarHBondContact O-N 3.38Å; S350-N391 WeakPolarHBondContact CB-ND2 3.21Å; S350-N391 PolarHBondContact OG-ND2 3.16Å; T389-N391 PolarHBondContact OG1-ND2 2.79Å; N391-T404 WeakPolarHBondContact CA-O 3.36Å; N391-Q405 VanDerWaalsContact OD1-CA 3.23Å; N391-Q405 WeakPolarHBondContact OD1-CA 3.45Å; N391-Q405 WeakPolarHBondContact OD1-CB 3.29Å
392	V	94.9	Very high	89	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.9	175.8	64.8	0	0	0	0	110.7	F345 L346 A347 T404 I406 W423 F451	F345-V392 HydrophobicContact CB-CG2 4.23Å; F345-V392 HydrophobicContact CD1-CG2 4.27Å; L346-V392 WeakPolarHBondContact O-CA 3.45Å; A347-V392 HydrophobicContact CB-CG2 4.49Å; V392-T404 PolarHBondContact N-O 3.43Å; V392-T404 PolarHBondContact O-N 2.86Å; V392-I406 HydrophobicContact CB-CD1 4.12Å; V392-I406 HydrophobicContact CB-CG1 4.48Å; V392-I406 HydrophobicContact CG1-CD1 3.82Å; V392-I406 HydrophobicContact CG1-CG1 3.83Å; V392-W423 HydrophobicContact CG2-CH2 4.16Å; V392-W423 HydrophobicContact CG2-CZ2 4.38Å; V392-F451 HydrophobicContact CB-CZ 4.49Å; V392-F451 HydrophobicContact CG1-CD1 4.18Å; V392-F451 HydrophobicContact CG1-CD2 3.59Å; V392-F451 HydrophobicContact CG1-CE1 4.24Å; V392-F451 HydrophobicContact CG1-CE2 3.66Å; V392-F451 HydrophobicContact CG1-CG 3.86Å; V392-F451 HydrophobicContact CG1-CZ 3.99Å; V392-F451 HydrophobicContact CG2-CE1 4.14Å; V392-F451 HydrophobicContact CG2-CE2 4.17Å; V392-F451 HydrophobicContact CG2-CZ 3.78Å
393	V	93.8	Very high	89.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.4	176.3	64.2	0	0	0	0	110.8	I299 F345 L346 L395 I401	I299-V393 HydrophobicContact CD1-CG1 4.14Å; I299-V393 HydrophobicContact CG2-CB 4.27Å; I299-V393 HydrophobicContact CG2-CG1 3.97Å; I299-V393 HydrophobicContact CG2-CG2 4.35Å; F345-V393 WeakPolarHBondContact CA-O 3.27Å; L346-V393 HydrophobicContact CB-CG1 3.91Å; L346-V393 PolarHBondContact N-O 2.82Å; L346-V393 PolarHBondContact O-N 3.06Å; V393-L395 HydrophobicContact CG1-CD2 4.02Å; V393-I401 HydrophobicContact CG2-CB 4.28Å; V393-I401 HydrophobicContact CG2-CG2 3.65Å
394	N	91.8	Very high	89.1	Confident	69 Å²	69	58.7 Å²	58.7	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.4	174.9	-173.1	-21.6	0	0	0	109.4	L344 F345 S396	L344-N394 PolarHBondContact O-OD1 2.79Å; F345-N394 HydrophobicContact CD1-CB 3.95Å; F345-N394 HydrophobicContact CE1-CB 3.78Å; N394-S396 WeakPolarHBondContact OD1-CB 3.36Å; N394-S396 PolarHBondContact OD1-N 2.92Å; N394-S396 PolarHBondContact OD1-OG 2.81Å
395	L	89.9	Confident	89.1	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.042	29%	0.294	C	S	.	.			trans	-93.5	-8	-176.1	-58.2	176.1	0	0	0	112.8	Y287 F339 L344 L346 V393 V397 I401	Y287-L395 HydrophobicContact CD1-CD2 3.95Å; Y287-L395 HydrophobicContact CD2-CD1 4.18Å; Y287-L395 HydrophobicContact CD2-CD2 4.43Å; Y287-L395 HydrophobicContact CE1-CB 4.23Å; Y287-L395 HydrophobicContact CE1-CD1 4.37Å; Y287-L395 HydrophobicContact CE1-CD2 3.99Å; Y287-L395 HydrophobicContact CE1-CG 4.43Å; Y287-L395 HydrophobicContact CE2-CD1 3.7Å; Y287-L395 HydrophobicContact CE2-CD2 4.49Å; Y287-L395 HydrophobicContact CG-CD2 4.16Å; F339-L395 HydrophobicContact CD1-CD1 4.02Å; F339-L395 HydrophobicContact CE1-CD1 3.58Å; L344-L395 PolarHBondContact O-N 3.36Å; L346-L395 HydrophobicContact CB-CD1 3.94Å; L346-L395 HydrophobicContact CB-CG 4.45Å; V393-L395 HydrophobicContact CG1-CD2 4.02Å; L395-V397 PolarHBondContact O-N 2.89Å; L395-I401 HydrophobicContact CD2-CD1 4.27Å; L395-I401 HydrophobicContact CD2-CG1 4.44Å
396	S	84	Confident	89.1	Confident	63 Å²	63	56.7 Å²	56.7	44%	0.441	29%	0.291	S	S	.	.	S	Bend	trans	-60.9	-27.2	-177.5	-50.7	0	0	0	0	113.6	N394	N394-S396 WeakPolarHBondContact OD1-CB 3.36Å; N394-S396 PolarHBondContact OD1-N 2.92Å; N394-S396 PolarHBondContact OD1-OG 2.81Å
397	V	83.2	Confident	89.1	Confident	82 Å²	82	64.8 Å²	64.8	50%	0.497	33%	0.325	S	S	.	.	S	Bend	trans	-131.2	90.3	-179.7	-166.5	0	0	0	0	109.8	L395 K399 Y400	L395-V397 PolarHBondContact O-N 2.89Å; V397-K399 PolarHBondContact O-N 3.35Å; V397-Y400 HydrophobicContact CG1-CD2 3.76Å; V397-Y400 HydrophobicContact CG1-CE2 4.38Å; V397-Y400 PolarHBondContact O-N 3.23Å
398	I	81.4	Confident	89	Confident	71 Å²	71	62 Å²	62	36%	0.364	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-53.3	-28.3	-171.4	-62.2	161.5	0	0	0	113.8	P289 L295 C297 Y400 I401	P289-I398 HydrophobicContact CB-CD1 4.1Å; P289-I398 HydrophobicContact CG-CD1 3.81Å; P289-I398 HydrophobicContact CG-CG1 4.37Å; L295-I398 HydrophobicContact CD2-CG2 3.97Å; C297-I398 WeakPolarHBondContact SG-CG2 3.3Å; I398-Y400 PolarHBondContact O-N 2.94Å; I398-I401 HydrophobicContact CB-CD1 4.26Å; I398-I401 HydrophobicContact CG1-CD1 4.44Å; I398-I401 HydrophobicContact CG2-CD1 3.96Å; I398-I401 WeakPolarHBondContact O-CG1 3.09Å
399	K	78.3	Confident	88.8	Confident	162 Å²	162	63 Å²	63	70%	0.704	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-66.6	-18.2	176.1	-173	176	177.1	-170.7	0	114.4	V397	V397-K399 PolarHBondContact O-N 3.35Å
400	Y	79.1	Confident	88.2	Confident	142 Å²	142	66.2 Å²	66.2	56%	0.557	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-128.5	35.5	-174.8	-58	-81.3	0	0	0	112.1	V397 I398 F402	V397-Y400 HydrophobicContact CG1-CD2 3.76Å; V397-Y400 HydrophobicContact CG1-CE2 4.38Å; V397-Y400 PolarHBondContact O-N 3.23Å; I398-Y400 PolarHBondContact O-N 2.94Å; Y400-F402 VanDerWaalsContact C-N 3.28Å; Y400-F402 HydrophobicContact CD1-CE2 4.2Å; Y400-F402 PolarHBondContact O-N 2.03Å
401	I	83.2	Confident	87.4	Confident	17 Å²	17	74.8 Å²	74.8	9%	0.087	38%	0.38	C	S	.	.			trans	-69	87.9	170.4	-66.1	175.3	0	0	0	108.3	Y287 C297 I299 V393 L395 I398	Y287-I401 HydrophobicContact CD1-CD1 4.03Å; Y287-I401 HydrophobicContact CE1-CD1 4.5Å; C297-I401 HydrophobicContact CB-CD1 3.94Å; I299-I401 HydrophobicContact CB-CG2 4.32Å; I299-I401 HydrophobicContact CG1-CG2 3.82Å; I299-I401 HydrophobicContact CG2-CG2 4.27Å; V393-I401 HydrophobicContact CG2-CB 4.28Å; V393-I401 HydrophobicContact CG2-CG2 3.65Å; L395-I401 HydrophobicContact CD2-CD1 4.27Å; L395-I401 HydrophobicContact CD2-CG1 4.44Å; I398-I401 HydrophobicContact CB-CD1 4.26Å; I398-I401 HydrophobicContact CG1-CD1 4.44Å; I398-I401 HydrophobicContact CG2-CD1 3.96Å; I398-I401 WeakPolarHBondContact O-CG1 3.09Å
402	F	86.4	Confident	86.7	Confident	142 Å²	142	75.1 Å²	75.1	62%	0.623	38%	0.382	S	S	*	.			trans	-124.6	123.6	172.9	-64.1	-72	0	0	0	109	Y400	Y400-F402 VanDerWaalsContact C-N 3.28Å; Y400-F402 HydrophobicContact CD1-CE2 4.2Å; Y400-F402 PolarHBondContact O-N 2.03Å
403	P	92.1	Very high	85.4	Confident	49 Å²	49	78.6 Å²	78.6	32%	0.318	41%	0.407	S	S	.	.			trans	-68.9	137.5	177.8	28.8	-34.3	0	0	0	111	I299 F348	I299-P403 HydrophobicContact CG2-CB 4.42Å; I299-P403 HydrophobicContact CG2-CG 4.45Å; I299-P403 WeakPolarHBondContact O-CD 3.28Å; F348-P403 HydrophobicContact CE1-CB 3.97Å; F348-P403 HydrophobicContact CZ-CB 3.64Å; F348-P403 HydrophobicContact CZ-CG 4.41Å
404	T	91.9	Very high	84.3	Confident	84 Å²	84	85.3 Å²	85.3	52%	0.515	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.6	176.9	-58.9	0	0	0	0	109.3	N391 V392 I406	N391-T404 WeakPolarHBondContact CA-O 3.36Å; V392-T404 PolarHBondContact N-O 3.43Å; V392-T404 PolarHBondContact O-N 2.86Å; T404-I406 PolarHBondContact O-N 3.02Å
405	Q	93.4	Very high	83.3	Confident	115 Å²	115	83.8 Å²	83.8	54%	0.537	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.2	174.8	-168.8	-171.4	18.3	0	0	110.4	T389 N391	T389-Q405 VanDerWaalsContact CG2-NE2 3.32Å; N391-Q405 VanDerWaalsContact OD1-CA 3.23Å; N391-Q405 WeakPolarHBondContact OD1-CA 3.45Å; N391-Q405 WeakPolarHBondContact OD1-CB 3.29Å
406	I	93.1	Very high	83.1	Confident	9 Å²	9	84.6 Å²	84.6	5%	0.046	45%	0.449	C	S	.	.			trans	-78.8	127.9	178	-61.8	-172.6	0	0	0	109.4	V390 V392 T404 L408 L429 C446 F451 C453	V390-I406 HydrophobicContact CB-CB 4.3Å; V390-I406 HydrophobicContact CG1-CB 4.45Å; V390-I406 HydrophobicContact CG1-CD1 3.97Å; V390-I406 HydrophobicContact CG1-CG1 4.47Å; V390-I406 PolarHBondContact O-N 2.66Å; V392-I406 HydrophobicContact CB-CD1 4.12Å; V392-I406 HydrophobicContact CB-CG1 4.48Å; V392-I406 HydrophobicContact CG1-CD1 3.82Å; V392-I406 HydrophobicContact CG1-CG1 3.83Å; T404-I406 PolarHBondContact O-N 3.02Å; I406-L408 PolarHBondContact O-N 2.8Å; I406-L429 HydrophobicContact CD1-CD2 3.71Å; I406-C446 HydrophobicContact CG2-CB 4.25Å; I406-F451 HydrophobicContact CD1-CB 4.01Å; I406-F451 HydrophobicContact CD1-CD1 3.99Å; I406-F451 HydrophobicContact CD1-CG 4.13Å; I406-F451 HydrophobicContact CG1-CB 3.99Å; I406-F451 HydrophobicContact CG1-CG 4.44Å; I406-F451 HydrophobicContact CG2-CB 4.44Å; I406-C453 WeakPolarHBondContact CG2-SG 3.44Å
407	K	91.3	Very high	83.4	Confident	180 Å²	180	81.8 Å²	81.8	78%	0.783	43%	0.429	S	S	*	.			trans	-88.2	94.4	178.4	-67.1	-173.8	179.8	-178	0	110.6
408	L	89.8	Confident	83.7	Confident	33 Å²	33	78 Å²	78	17%	0.173	41%	0.406	C	S	.	.			trans	-62.1	153.7	169.2	-63.6	173.2	0	0	0	111.2	V390 I406 V431 V433	V390-L408 HydrophobicContact CG2-CD1 4.32Å; I406-L408 PolarHBondContact O-N 2.8Å; L408-V431 HydrophobicContact CD2-CG1 4.45Å; L408-V433 HydrophobicContact CD1-CG2 4.04Å; L408-V433 HydrophobicContact CD2-CG2 4.41Å
409	P	86.8	Confident	83.5	Confident	39 Å²	39	74.7 Å²	74.7	25%	0.253	39%	0.389	S	S	.	.			trans	-54.1	139.1	172.7	-26.2	34.9	0	0	0	112.4	E411 L412 S413	P409-E411 PolarHBondContact O-N 2.78Å; P409-E411 VanDerWaalsContact O-N 3.12Å; P409-L412 HydrophobicContact CB-CD1 4.32Å; P409-L412 HydrophobicContact CB-CG 4.48Å; P409-L412 HydrophobicContact CG-CD1 4.21Å; P409-L412 PolarHBondContact O-N 2.81Å; P409-S413 PolarHBondContact O-N 3.04Å
410	S	79.9	Confident	83.4	Confident	101 Å²	101	67.1 Å²	67.1	71%	0.706	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.7	-173.8	50.7	0	0	0	0	114.8	L412 S413	S410-L412 PolarHBondContact O-N 3.03Å; S410-S413 PolarHBondContact O-OG 3.27Å
411	E	76.8	Confident	83.7	Confident	182 Å²	182	60.4 Å²	60.4	85%	0.85	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.8	172.3	-63.3	176.6	-169.8	0	0	112.9	P409	P409-E411 PolarHBondContact O-N 2.78Å; P409-E411 VanDerWaalsContact O-N 3.12Å
412	L	80.1	Confident	83.9	Confident	26 Å²	26	60.7 Å²	60.7	14%	0.136	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-5.5	-175.5	-57.2	176.6	0	0	0	113.1	P409 S410 S416 V433 T442 V444	P409-L412 HydrophobicContact CB-CD1 4.32Å; P409-L412 HydrophobicContact CB-CG 4.48Å; P409-L412 HydrophobicContact CG-CD1 4.21Å; P409-L412 PolarHBondContact O-N 2.81Å; S410-L412 PolarHBondContact O-N 3.03Å; L412-S416 VanDerWaalsContact O-CB 3.24Å; L412-S416 WeakPolarHBondContact O-CB 3.38Å; L412-S416 PolarHBondContact O-OG 2.93Å; L412-V433 HydrophobicContact CB-CG1 4.18Å; L412-T442 HydrophobicContact CD1-CG2 3.85Å; L412-T442 HydrophobicContact CD2-CG2 4.45Å; L412-V444 HydrophobicContact CD1-CG2 3.52Å
413	S	67.4	Low	83.9	Confident	76 Å²	76	55 Å²	55	53%	0.531	31%	0.308	S	S	.	.	S	Bend	trans	-92	-11	-172.3	66	0	0	0	0	114.7	P409 S410	P409-S413 PolarHBondContact O-N 3.04Å; S410-S413 PolarHBondContact O-OG 3.27Å
414	N	69.9	Low	83.6	Confident	142 Å²	142	53.8 Å²	53.8	76%	0.759	30%	0.303	S	S	*	.	S	Bend	trans	-95.9	118.5	-175.9	-167.9	7.7	0	0	0	111.3	S416	N414-S416 PolarHBondContact O-N 2.92Å; N414-S416 PolarHBondContact O-OG 3.14Å
415	G	71.4	Confident	83.3	Confident	37 Å²	37	50.7 Å²	50.7	38%	0.381	28%	0.284	S	S	.	.	S	Bend	trans	56.6	19.3	173.1	0	0	0	0	0	116.2	R436	G415-R436 WeakPolarHBondContact O-CB 3.36Å
416	S	86.1	Confident	83	Confident	24 Å²	24	46.3 Å²	46.3	17%	0.168	27%	0.266	C	S	.	.			trans	-98.2	152.6	-169	-66	0	0	0	0	112	L412 N414 T434	L412-S416 VanDerWaalsContact O-CB 3.24Å; L412-S416 WeakPolarHBondContact O-CB 3.38Å; L412-S416 PolarHBondContact O-OG 2.93Å; N414-S416 PolarHBondContact O-N 2.92Å; N414-S416 PolarHBondContact O-OG 3.14Å; S416-T434 CarbonylContact C-O 3.55Å; S416-T434 VanDerWaalsContact CA-O 3.29Å; S416-T434 WeakPolarHBondContact CA-O 3.28Å; S416-T434 WeakPolarHBondContact CB-O 3.49Å
417	Y	91.1	Very high	82.8	Confident	4 Å²	4	49 Å²	49	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	146.8	178.3	-45.5	-80.6	0	0	0	111.5	M323 Y324 N385 V433 T434 R436 Q438 F870	M323-Y417 HydrophobicContact CE-CD1 3.86Å; M323-Y417 HydrophobicContact CE-CE1 3.74Å; M323-Y417 HydrophobicContact SD-CE1 4.2Å; Y324-Y417 VanDerWaalsContact OH-CA 3.24Å; Y324-Y417 WeakPolarHBondContact OH-CA 3.26Å; N385-Y417 HydrophobicContact CB-CE1 4.48Å; N385-Y417 WeakPolarHBondContact ND2-CE1 3.23Å; N385-Y417 VanDerWaalsContact ND2-CZ 3.29Å; N385-Y417 PolarHBondContact ND2-OH 2.9Å; Y417-V433 CarbonylContact O-C 3.51Å; Y417-V433 WeakPolarHBondContact O-CA 3.43Å; Y417-T434 HydrophobicContact CD2-CG2 4.05Å; Y417-T434 HydrophobicContact CG-CG2 4.46Å; Y417-T434 PolarHBondContact N-O 2.98Å; Y417-T434 PolarHBondContact O-N 2.83Å; Y417-R436 WeakPolarHBondContact CE2-O 3.22Å; Y417-Q438 HydrophobicContact CD2-CG 4.42Å; Y417-Q438 HydrophobicContact CE2-CG 4.3Å; Y417-F870 HydrophobicContact CD1-CD2 4.01Å; Y417-F870 AromaticContact CD2-CD2 3.8Å; Y417-F870 HydrophobicContact CD2-CD2 3.8Å; Y417-F870 AromaticContact CD2-CE2 3.94Å; Y417-F870 HydrophobicContact CD2-CE2 3.94Å; Y417-F870 HydrophobicContact CE1-CB 4.43Å; Y417-F870 AromaticContact CE1-CD2 3.85Å; Y417-F870 HydrophobicContact CE1-CD2 3.85Å; Y417-F870 AromaticContact CE2-CD2 3.62Å; Y417-F870 HydrophobicContact CE2-CD2 3.62Å; Y417-F870 HydrophobicContact CE2-CE2 4.16Å; Y417-F870 AromaticContact CG-CD2 3.98Å; Y417-F870 HydrophobicContact CG-CD2 3.98Å; Y417-F870 HydrophobicContact CG-CE2 4.16Å; Y417-F870 AromaticContact CZ-CD2 3.66Å
418	V	89.4	Confident	82.7	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	98	-179.2	-176.5	0	0	0	0	109.8	Y324 L349 V388 V390 V431 T432	Y324-V418 WeakPolarHBondContact CE1-O 3.32Å; Y324-V418 PolarHBondContact OH-N 2.82Å; L349-V418 HydrophobicContact CD1-CG1 4.24Å; L349-V418 HydrophobicContact CD2-CG1 3.86Å; V388-V418 HydrophobicContact CB-CG2 4.44Å; V388-V418 HydrophobicContact CG1-CB 4.27Å; V388-V418 HydrophobicContact CG1-CG2 4.14Å; V390-V418 HydrophobicContact CG2-CG1 4.23Å; V418-V431 HydrophobicContact CG1-CG1 3.7Å; V418-T432 CarbonylContact C-O 3.14Å
419	G	76.8	Confident	82.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-7.9	-169.5	0	0	0	0	0	116.2	L330 T432	L330-G419 VanDerWaalsContact O-O 3.11Å; G419-T432 PolarHBondContact N-O 3.03Å
420	G	74.8	Confident	82.9	Confident	4 Å²	4	38 Å²	38	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	145.1	177.5	0	0	0	0	0	114.8	V431 T432	G420-V431 WeakPolarHBondContact O-CA 3.48Å; G420-T432 PolarHBondContact O-N 3.05Å; G420-T432 VanDerWaalsContact O-N 3.09Å
421	L	86.1	Confident	83.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144	159.6	-61	-175.4	0	0	0	108.5	S335 A347 L349 V390 L429 V431 R472	S335-L421 WeakPolarHBondContact O-CD1 3.42Å; S335-L421 WeakPolarHBondContact O-CG 3.45Å; A347-L421 HydrophobicContact CB-CD1 4.08Å; L349-L421 HydrophobicContact CD2-CD1 4.14Å; L349-L421 HydrophobicContact CD2-CD2 4.02Å; L349-L421 HydrophobicContact CD2-CG 4.15Å; L349-L421 HydrophobicContact CG-CD1 4.08Å; L349-L421 HydrophobicContact CG-CG 4.27Å; V390-L421 HydrophobicContact CG1-CD2 3.86Å; L421-L429 HydrophobicContact CB-CD1 4.45Å; L421-V431 HydrophobicContact CD2-CG1 4.31Å; L421-V431 HydrophobicContact CD2-CG2 3.91Å; L421-R472 PolarHBondContact O-NH1 2.93Å
422	T	87.1	Confident	84.1	Confident	23 Å²	23	24.7 Å²	24.7	14%	0.141	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	124.5	172	-59.6	0	0	0	0	108.9	E338 A424 S430	E338-T422 VanDerWaalsContact OE2-CA 3.26Å; E338-T422 WeakPolarHBondContact OE2-CA 3.42Å; E338-T422 PolarHBondContact OE2-N 3.48Å; T422-A424 PolarHBondContact O-N 3.19Å; T422-S430 PolarHBondContact N-O 3.26Å; T422-S430 WeakPolarHBondContact O-CA 3.3Å; T422-S430 WeakPolarHBondContact O-CB 3.44Å; T422-S430 PolarHBondContact O-N 2.98Å
423	W	87.8	Confident	84.6	Confident	22 Å²	22	23.5 Å²	23.5	8%	0.083	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.2	173.6	-69.8	91.9	0	0	0	111.9	E338 F339 P341 F345 A347 V392 L429 F451	E338-W423 PolarHBondContact O-NE1 3.32Å; E338-W423 VanDerWaalsContact O-NE1 3.13Å; E338-W423 PolarHBondContact OE2-N 2.9Å; F339-W423 VanDerWaalsContact C-NE1 3.33Å; F339-W423 PolarHBondContact O-NE1 3.31Å; P341-W423 HydrophobicContact CG-CB 4.14Å; F345-W423 HydrophobicContact CB-CH2 3.53Å; F345-W423 HydrophobicContact CB-CZ2 3.82Å; F345-W423 HydrophobicContact CD2-CH2 4.45Å; F345-W423 HydrophobicContact CG-CH2 4.1Å; A347-W423 HydrophobicContact CB-CZ2 3.75Å; V392-W423 HydrophobicContact CG2-CH2 4.16Å; V392-W423 HydrophobicContact CG2-CZ2 4.38Å; W423-L429 HydrophobicContact CD2-CB 4.41Å; W423-L429 HydrophobicContact CD2-CD1 3.93Å; W423-L429 HydrophobicContact CE3-CB 4.03Å; W423-L429 HydrophobicContact CE3-CD1 4.41Å; W423-L429 HydrophobicContact CG-CD1 4.18Å; W423-L429 HydrophobicContact CH2-CB 4.38Å; W423-L429 HydrophobicContact CZ2-CD1 4.38Å; W423-L429 HydrophobicContact CZ3-CB 4.02Å; W423-F451 HydrophobicContact CH2-CE1 4.03Å; W423-F451 HydrophobicContact CH2-CZ 4.26Å; W423-F451 HydrophobicContact CZ3-CE1 4.15Å
424	A	85.8	Confident	85.8	Confident	25 Å²	25	19.9 Å²	19.9	21%	0.207	13%	0.127	C	C	.	.	S	Bend	trans	-83.3	-24.5	173.8	0	0	0	0	0	112.4	T422 D428 L445 F475	T422-A424 PolarHBondContact O-N 3.19Å; A424-D428 HydrophobicContact CB-CB 4.05Å; A424-D428 PolarHBondContact N-O 3.43Å; A424-L445 HydrophobicContact CB-CD1 3.83Å; A424-F475 HydrophobicContact CB-CB 4.02Å; A424-F475 HydrophobicContact CB-CD1 3.78Å; A424-F475 HydrophobicContact CB-CD2 3.42Å; A424-F475 VanDerWaalsContact CB-CD2 3.42Å; A424-F475 HydrophobicContact CB-CE1 4.05Å; A424-F475 HydrophobicContact CB-CE2 3.71Å; A424-F475 HydrophobicContact CB-CG 3.45Å; A424-F475 VanDerWaalsContact CB-CG 3.45Å; A424-F475 HydrophobicContact CB-CZ 4.02Å
425	S	85.4	Confident	86.8	Confident	18 Å²	18	15 Å²	15	13%	0.126	10%	0.1	C	C	.	.	S	Bend	trans	-157.2	179.7	172.8	84.4	0	0	0	0	108.9	T427 D428	S425-T427 PolarHBondContact O-N 3.05Å; S425-T427 VanDerWaalsContact O-N 3.13Å; S425-T427 PolarHBondContact OG-N 3.46Å; S425-T427 PolarHBondContact OG-OG1 3.2Å; S425-T427 VanDerWaalsContact OG-OG1 3.13Å; S425-D428 PolarHBondContact N-O 2.96Å; S425-D428 WeakPolarHBondContact OG-CB 3.45Å; S425-D428 PolarHBondContact OG-N 2.75Å; S425-D428 PolarHBondContact OG-OD2 2.8Å
426	S	86.9	Confident	87.7	Confident	23 Å²	23	16 Å²	16	16%	0.161	9%	0.093	C	C	.	.	S	Bend	trans	-59.5	-16.5	168.3	-59.1	0	0	0	0	114.9	D342	D342-S426 VanDerWaalsContact OD2-CB 3.23Å; D342-S426 WeakPolarHBondContact OD2-CB 3.36Å; D342-S426 PolarHBondContact OD2-OG 3.11Å
427	T	88.2	Confident	87.8	Confident	67 Å²	67	18 Å²	18	41%	0.411	10%	0.099	S	C	.	.	S	Bend	trans	-122.5	-6.4	-175.3	51	0	0	0	0	114.6	S425 R447 A448	S425-T427 PolarHBondContact O-N 3.05Å; S425-T427 VanDerWaalsContact O-N 3.13Å; S425-T427 PolarHBondContact OG-N 3.46Å; S425-T427 PolarHBondContact OG-OG1 3.2Å; S425-T427 VanDerWaalsContact OG-OG1 3.13Å; T427-R447 WeakPolarHBondContact O-CA 3.49Å; T427-A448 HydrophobicContact CG2-CB 4.29Å; T427-A448 WeakPolarHBondContact O-CB 3.32Å; T427-A448 PolarHBondContact O-N 3.35Å
428	D	89.2	Confident	87.8	Confident	18 Å²	18	17.9 Å²	17.9	10%	0.096	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	107.7	-174.1	-63.2	-91.5	0	0	0	109.8	A424 S425 L445 R447	A424-D428 HydrophobicContact CB-CB 4.05Å; A424-D428 PolarHBondContact N-O 3.43Å; S425-D428 PolarHBondContact N-O 2.96Å; S425-D428 WeakPolarHBondContact OG-CB 3.45Å; S425-D428 PolarHBondContact OG-N 2.75Å; S425-D428 PolarHBondContact OG-OD2 2.8Å; D428-L445 HydrophobicContact CB-CD1 4.08Å; D428-L445 HydrophobicContact CB-CD2 4.39Å; D428-L445 HydrophobicContact CB-CG 4.29Å; D428-R447 IonicContact OD1-CZ 2.96Å; D428-R447 IonicContact OD1-NE 3.75Å; D428-R447 PolarHBondContact OD1-NE 3.44Å; D428-R447 IonicContact OD1-NH2 2.8Å; D428-R447 PolarHBondContact OD1-NH2 3.15Å
429	L	91.2	Very high	87.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.2	175.3	177.8	65.3	0	0	0	109.7	A347 V390 I406 L421 W423 V431 C446	A347-L429 HydrophobicContact CB-CD1 4.05Å; A347-L429 HydrophobicContact CB-CD2 3.73Å; V390-L429 HydrophobicContact CG1-CD2 4.27Å; I406-L429 HydrophobicContact CD1-CD2 3.71Å; L421-L429 HydrophobicContact CB-CD1 4.45Å; W423-L429 HydrophobicContact CD2-CB 4.41Å; W423-L429 HydrophobicContact CD2-CD1 3.93Å; W423-L429 HydrophobicContact CE3-CB 4.03Å; W423-L429 HydrophobicContact CE3-CD1 4.41Å; W423-L429 HydrophobicContact CG-CD1 4.18Å; W423-L429 HydrophobicContact CH2-CB 4.38Å; W423-L429 HydrophobicContact CZ2-CD1 4.38Å; W423-L429 HydrophobicContact CZ3-CB 4.02Å; L429-V431 HydrophobicContact CD2-CG2 4.34Å; L429-V431 HydrophobicContact CG-CG2 4.24Å; L429-C446 PolarHBondContact N-O 2.92Å; L429-C446 PolarHBondContact O-N 2.83Å
430	S	90.3	Very high	88.6	Confident	1 Å²	1	25 Å²	25	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.5	169	-175.4	0	0	0	0	110.6	T422 T443 V444	T422-S430 PolarHBondContact N-O 3.26Å; T422-S430 WeakPolarHBondContact O-CA 3.3Å; T422-S430 WeakPolarHBondContact O-CB 3.44Å; T422-S430 PolarHBondContact O-N 2.98Å; S430-T443 WeakPolarHBondContact OG-CG2 3.47Å; S430-V444 CarbonylContact C-O 3.52Å; S430-V444 WeakPolarHBondContact CA-O 3.4Å
431	V	90.5	Very high	89.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.4	175.7	-173.4	0	0	0	0	108.6	V390 L408 V418 G420 L421 L429 V433 V444	V390-V431 HydrophobicContact CG1-CG2 4.3Å; V390-V431 HydrophobicContact CG2-CG1 3.98Å; V390-V431 HydrophobicContact CG2-CG2 4.47Å; L408-V431 HydrophobicContact CD2-CG1 4.45Å; V418-V431 HydrophobicContact CG1-CG1 3.7Å; G420-V431 WeakPolarHBondContact O-CA 3.48Å; L421-V431 HydrophobicContact CD2-CG1 4.31Å; L421-V431 HydrophobicContact CD2-CG2 3.91Å; L429-V431 HydrophobicContact CD2-CG2 4.34Å; L429-V431 HydrophobicContact CG-CG2 4.24Å; V431-V433 HydrophobicContact CG1-CG2 3.79Å; V431-V444 PolarHBondContact N-O 3.45Å; V431-V444 PolarHBondContact O-N 2.79Å
432	T	89.8	Confident	89.6	Confident	4 Å²	4	25.3 Å²	25.3	3%	0.025	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.4	171.1	-63.9	0	0	0	0	109.8	V418 G419 G420 A441 T443 P469	V418-T432 CarbonylContact C-O 3.14Å; G419-T432 PolarHBondContact N-O 3.03Å; G420-T432 PolarHBondContact O-N 3.05Å; G420-T432 VanDerWaalsContact O-N 3.09Å; T432-A441 HydrophobicContact CG2-CB 4.46Å; T432-T443 PolarHBondContact OG1-OG1 3.5Å; T432-P469 VanDerWaalsContact CG2-O 3.26Å; T432-P469 WeakPolarHBondContact CG2-O 3.14Å
433	V	91.6	Very high	89.7	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129	-177.3	-172.2	0	0	0	0	109.6	L408 L412 Y417 V431 A441 T442	L408-V433 HydrophobicContact CD1-CG2 4.04Å; L408-V433 HydrophobicContact CD2-CG2 4.41Å; L412-V433 HydrophobicContact CB-CG1 4.18Å; Y417-V433 CarbonylContact O-C 3.51Å; Y417-V433 WeakPolarHBondContact O-CA 3.43Å; V431-V433 HydrophobicContact CG1-CG2 3.79Å; V433-A441 CarbonylContact O-C 3.58Å; V433-T442 PolarHBondContact N-O 2.82Å; V433-T442 PolarHBondContact O-N 2.91Å
434	T	91.6	Very high	89.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.2	176	179.4	0	0	0	0	111.6	S416 Y417 K440 P469	S416-T434 CarbonylContact C-O 3.55Å; S416-T434 VanDerWaalsContact CA-O 3.29Å; S416-T434 WeakPolarHBondContact CA-O 3.28Å; S416-T434 WeakPolarHBondContact CB-O 3.49Å; Y417-T434 HydrophobicContact CD2-CG2 4.05Å; Y417-T434 HydrophobicContact CG-CG2 4.46Å; Y417-T434 PolarHBondContact N-O 2.98Å; Y417-T434 PolarHBondContact O-N 2.83Å; T434-K440 VanDerWaalsContact CA-O 3.29Å; T434-K440 WeakPolarHBondContact CA-O 3.39Å; T434-K440 PolarHBondContact OG1-O 3.4Å; T434-P469 HydrophobicContact CG2-CB 3.52Å; T434-P469 HydrophobicContact CG2-CG 3.9Å
435	N	91.1	Very high	90	Very high	39 Å²	39	23.5 Å²	23.5	21%	0.209	12%	0.122	C	C	.	.			trans	-66.3	161.3	172.3	68.1	-25	0	0	0	111.9	E437 Q438 T439 K440	N435-E437 PolarHBondContact O-N 3.11Å; N435-Q438 PolarHBondContact O-N 3.25Å; N435-Q438 PolarHBondContact OD1-N 3.18Å; N435-T439 PolarHBondContact ND2-OG1 2.97Å; N435-T439 PolarHBondContact OD1-N 3.31Å; N435-K440 PolarHBondContact N-O 3.07Å; N435-K440 VanDerWaalsContact N-O 3.14Å; N435-K440 PolarHBondContact OD1-N 3.14Å; N435-K440 PolarHBondContact OD1-O 3.33Å
436	R	90.6	Very high	90.3	Very high	59 Å²	59	22.6 Å²	22.6	22%	0.223	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-41.9	179.2	-168.7	170.8	170.3	143.3	5.8	113.4	S383 G415 Y417 Q438 E873	S383-R436 VanDerWaalsContact O-CZ 3.29Å; S383-R436 PolarHBondContact O-NH1 3.01Å; S383-R436 PolarHBondContact O-NH2 2.99Å; G415-R436 WeakPolarHBondContact O-CB 3.36Å; Y417-R436 WeakPolarHBondContact CE2-O 3.22Å; R436-Q438 PolarHBondContact O-N 2.9Å; R436-E873 WeakPolarHBondContact CG-OE2 3.32Å; R436-E873 IonicContact CZ-OE1 3.09Å; R436-E873 IonicContact CZ-OE2 2.87Å; R436-E873 IonicContact NE-OE1 3.87Å; R436-E873 IonicContact NE-OE2 3.96Å; R436-E873 PolarHBondContact NE-OE2 2.86Å; R436-E873 IonicContact NH2-OE1 3.95Å; R436-E873 PolarHBondContact NH2-OE1 2.84Å; R436-E873 IonicContact NH2-OE2 3.82Å; R436-E873 PolarHBondContact NH2-OE2 2.86Å
437	E	88.6	Confident	90.4	Very high	66 Å²	66	28.4 Å²	28.4	31%	0.308	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.1	-179.1	-58.2	178.3	167	0	0	113.1	N435 T439 K879	N435-E437 PolarHBondContact O-N 3.11Å; E437-T439 HydrophobicContact CB-CG2 4.22Å; E437-T439 PolarHBondContact O-N 3.48Å; E437-T439 VanDerWaalsContact O-N 3.07Å; E437-K879 WeakPolarHBondContact OE1-CE 3.38Å; E437-K879 IonicContact OE1-NZ 2.94Å; E437-K879 PolarHBondContact OE1-NZ 2.85Å; E437-K879 IonicContact OE2-NZ 3.24Å; E437-K879 PolarHBondContact OE2-NZ 3.05Å
438	Q	91.9	Very high	90.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	53.9	28.3	-178.6	-65.2	166.5	71.9	0	0	113.6	Y417 N435 R436 W466 V467 F870	Y417-Q438 HydrophobicContact CD2-CG 4.42Å; Y417-Q438 HydrophobicContact CE2-CG 4.3Å; N435-Q438 PolarHBondContact O-N 3.25Å; N435-Q438 PolarHBondContact OD1-N 3.18Å; R436-Q438 PolarHBondContact O-N 2.9Å; Q438-W466 HydrophobicContact CB-CB 4.31Å; Q438-W466 WeakPolarHBondContact O-CA 3.37Å; Q438-V467 WeakPolarHBondContact O-CG2 3.48Å; Q438-V467 PolarHBondContact O-N 3.43Å; Q438-F870 HydrophobicContact CG-CE2 4.45Å; Q438-F870 PolarHBondContact NE2-O 3.28Å; Q438-F870 VanDerWaalsContact OE1-CZ 3.25Å
439	T	90.9	Very high	90.2	Very high	43 Å²	43	30.1 Å²	30.1	26%	0.264	15%	0.149	S	C	.	.	S	Bend	trans	-93	-12.7	177.1	49.9	0	0	0	0	113.5	N435 E437 T461	N435-T439 PolarHBondContact ND2-OG1 2.97Å; N435-T439 PolarHBondContact OD1-N 3.31Å; E437-T439 HydrophobicContact CB-CG2 4.22Å; E437-T439 PolarHBondContact O-N 3.48Å; E437-T439 VanDerWaalsContact O-N 3.07Å; T439-T461 PolarHBondContact O-N 2.9Å
440	K	91.1	Very high	90	Very high	111 Å²	111	38.2 Å²	38.2	48%	0.483	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	125.7	176.1	-58.3	-174.1	-177.1	179.4	0	112.1	T434 N435 T458 E459 V460	T434-K440 VanDerWaalsContact CA-O 3.29Å; T434-K440 WeakPolarHBondContact CA-O 3.39Å; T434-K440 PolarHBondContact OG1-O 3.4Å; N435-K440 PolarHBondContact N-O 3.07Å; N435-K440 VanDerWaalsContact N-O 3.14Å; N435-K440 PolarHBondContact OD1-N 3.14Å; N435-K440 PolarHBondContact OD1-O 3.33Å; K440-T458 HydrophobicContact CB-CG2 4.28Å; K440-E459 VanDerWaalsContact CA-O 3.29Å; K440-E459 WeakPolarHBondContact CA-O 3.23Å; K440-V460 HydrophobicContact CG-CG1 4.44Å; K440-V460 HydrophobicContact CG-CG2 4.27Å
441	A	91.3	Very high	90	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.7	169.6	0	0	0	0	0	110	T432 V433 T458 E459 V467	T432-A441 HydrophobicContact CG2-CB 4.46Å; V433-A441 CarbonylContact O-C 3.58Å; A441-T458 CarbonylContact O-C 3.48Å; A441-T458 WeakPolarHBondContact O-CA 3.38Å; A441-E459 HydrophobicContact CB-CB 4.48Å; A441-E459 PolarHBondContact N-O 2.82Å; A441-E459 PolarHBondContact O-N 2.67Å; A441-V467 HydrophobicContact CB-CB 3.97Å; A441-V467 HydrophobicContact CB-CG1 4.26Å; A441-V467 HydrophobicContact CB-CG2 3.64Å
442	T	90.8	Very high	90	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.7	179.3	-58.9	0	0	0	0	110.7	L412 V433 V444 A455 H457 T458	L412-T442 HydrophobicContact CD1-CG2 3.85Å; L412-T442 HydrophobicContact CD2-CG2 4.45Å; V433-T442 PolarHBondContact N-O 2.82Å; V433-T442 PolarHBondContact O-N 2.91Å; T442-V444 HydrophobicContact CG2-CG2 3.96Å; T442-A455 HydrophobicContact CG2-CB 3.78Å; T442-H457 CarbonylContact C-O 3.45Å; T442-H457 WeakPolarHBondContact CA-O 3.05Å; T442-T458 WeakPolarHBondContact CG2-OG1 3.43Å; T442-T458 VanDerWaalsContact OG1-CG2 3.32Å; T442-T458 WeakPolarHBondContact OG1-CG2 3.44Å; T442-T458 PolarHBondContact OG1-OG1 3.23Å
443	T	89.4	Confident	90.1	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.2	169	-58.9	0	0	0	0	108.9	S430 T432 V456 H457 P473	S430-T443 WeakPolarHBondContact OG-CG2 3.47Å; T432-T443 PolarHBondContact OG1-OG1 3.5Å; T443-V456 PolarHBondContact O-N 2.88Å; T443-H457 PolarHBondContact N-O 3.34Å; T443-H457 PolarHBondContact O-N 2.78Å; T443-P473 HydrophobicContact CG2-CG 3.97Å
444	V	89.6	Confident	89.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.3	-176	-176.8	0	0	0	0	108.9	L412 S430 V431 T442 C453 Q454	L412-V444 HydrophobicContact CD1-CG2 3.52Å; S430-V444 CarbonylContact C-O 3.52Å; S430-V444 WeakPolarHBondContact CA-O 3.4Å; V431-V444 PolarHBondContact N-O 3.45Å; V431-V444 PolarHBondContact O-N 2.79Å; T442-V444 HydrophobicContact CG2-CG2 3.96Å; V444-C453 HydrophobicContact CG1-CB 3.65Å; V444-Q454 WeakPolarHBondContact CA-O 3.11Å
445	L	89.8	Confident	89.7	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.141	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.8	176	-164.4	73.6	0	0	0	110	A424 D428 C453 Q454 V456 F475	A424-L445 HydrophobicContact CB-CD1 3.83Å; D428-L445 HydrophobicContact CB-CD1 4.08Å; D428-L445 HydrophobicContact CB-CD2 4.39Å; D428-L445 HydrophobicContact CB-CG 4.29Å; L445-C453 CarbonylContact O-C 3.55Å; L445-C453 WeakPolarHBondContact O-CA 3.2Å; L445-Q454 PolarHBondContact N-O 3.24Å; L445-Q454 PolarHBondContact O-N 2.95Å; L445-V456 HydrophobicContact CB-CG2 3.59Å; L445-F475 HydrophobicContact CD1-CE1 4.32Å; L445-F475 HydrophobicContact CD1-CZ 4.25Å
446	C	91.3	Very high	89.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.2	-175	-57.9	0	0	0	0	110.6	I406 L429 F451 H452 C453	I406-C446 HydrophobicContact CG2-CB 4.25Å; L429-C446 PolarHBondContact N-O 2.92Å; L429-C446 PolarHBondContact O-N 2.83Å; C446-F451 HydrophobicContact CB-CB 4.48Å; C446-F451 HydrophobicContact CB-CD1 4.5Å; C446-H452 WeakPolarHBondContact CA-O 3.39Å; C446-C453 HydrophobicContact CB-CB 4.17Å; C446-C453 WeakPolarHBondContact CB-SG 3.49Å; C446-C453 WeakPolarHBondContact SG-CB 3.48Å; C446-C453 CovalentContact SG-SG 2.04Å; C446-C453 PolarHBondContact SG-SG 3.34Å
447	R	90.4	Very high	89.2	Confident	145 Å²	145	50 Å²	50	55%	0.547	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.3	-168	178.4	168.2	-68.6	149.7	8	114	T427 D428 F451 H452	T427-R447 WeakPolarHBondContact O-CA 3.49Å; D428-R447 IonicContact OD1-CZ 2.96Å; D428-R447 IonicContact OD1-NE 3.75Å; D428-R447 PolarHBondContact OD1-NE 3.44Å; D428-R447 IonicContact OD1-NH2 2.8Å; D428-R447 PolarHBondContact OD1-NH2 3.15Å; R447-F451 WeakPolarHBondContact O-CA 3.31Å; R447-F451 PolarHBondContact O-N 2.87Å; R447-H452 PolarHBondContact N-O 3.04Å; R447-H452 PolarHBondContact O-N 2.88Å
448	A	87.4	Confident	89.2	Confident	17 Å²	17	49.6 Å²	49.6	14%	0.14	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	154.5	172.5	0	0	0	0	0	112.2	F345 T427 F451	F345-A448 HydrophobicContact CZ-CB 4.27Å; T427-A448 HydrophobicContact CG2-CB 4.29Å; T427-A448 WeakPolarHBondContact O-CB 3.32Å; T427-A448 PolarHBondContact O-N 3.35Å; A448-F451 HydrophobicContact CB-CE1 4.11Å; A448-F451 HydrophobicContact CB-CE2 3.98Å; A448-F451 HydrophobicContact CB-CZ 3.7Å
449	P	85.3	Confident	89.2	Confident	103 Å²	103	50 Å²	50	67%	0.669	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-15.6	5.2	33.7	-36.5	0	0	0	114.5
450	H	86.3	Confident	89.2	Confident	170 Å²	170	51.7 Å²	51.7	79%	0.787	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.7	-175	-60.4	-53.3	0	0	0	114.3	H452	H450-H452 VanDerWaalsContact C-N 3.26Å; H450-H452 PolarHBondContact O-N 3.16Å
451	F	90.6	Very high	89.1	Confident	13 Å²	13	48.1 Å²	48.1	6%	0.057	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	45.5	-176.6	-65.9	-87.5	0	0	0	112.8	F345 V392 I406 W423 C446 R447 A448 C453	F345-F451 HydrophobicContact CD1-CE2 4.27Å; F345-F451 AromaticContact CD1-CZ 3.94Å; F345-F451 HydrophobicContact CD1-CZ 3.94Å; F345-F451 HydrophobicContact CE1-CE2 4.02Å; F345-F451 AromaticContact CE1-CZ 3.97Å; F345-F451 HydrophobicContact CE1-CZ 3.97Å; F345-F451 HydrophobicContact CG-CZ 4.41Å; F345-F451 HydrophobicContact CZ-CZ 4.47Å; V392-F451 HydrophobicContact CB-CZ 4.49Å; V392-F451 HydrophobicContact CG1-CD1 4.18Å; V392-F451 HydrophobicContact CG1-CD2 3.59Å; V392-F451 HydrophobicContact CG1-CE1 4.24Å; V392-F451 HydrophobicContact CG1-CE2 3.66Å; V392-F451 HydrophobicContact CG1-CG 3.86Å; V392-F451 HydrophobicContact CG1-CZ 3.99Å; V392-F451 HydrophobicContact CG2-CE1 4.14Å; V392-F451 HydrophobicContact CG2-CE2 4.17Å; V392-F451 HydrophobicContact CG2-CZ 3.78Å; I406-F451 HydrophobicContact CD1-CB 4.01Å; I406-F451 HydrophobicContact CD1-CD1 3.99Å; I406-F451 HydrophobicContact CD1-CG 4.13Å; I406-F451 HydrophobicContact CG1-CB 3.99Å; I406-F451 HydrophobicContact CG1-CG 4.44Å; I406-F451 HydrophobicContact CG2-CB 4.44Å; W423-F451 HydrophobicContact CH2-CE1 4.03Å; W423-F451 HydrophobicContact CH2-CZ 4.26Å; W423-F451 HydrophobicContact CZ3-CE1 4.15Å; C446-F451 HydrophobicContact CB-CB 4.48Å; C446-F451 HydrophobicContact CB-CD1 4.5Å; R447-F451 WeakPolarHBondContact O-CA 3.31Å; R447-F451 PolarHBondContact O-N 2.87Å; A448-F451 HydrophobicContact CB-CE1 4.11Å; A448-F451 HydrophobicContact CB-CE2 3.98Å; A448-F451 HydrophobicContact CB-CZ 3.7Å; F451-C453 PolarHBondContact O-N 3.39Å; F451-C453 PolarHBondContact O-SG 3.47Å; F451-C453 VanDerWaalsContact O-SG 3.39Å
452	H	90.8	Very high	88.8	Confident	149 Å²	149	50.1 Å²	50.1	69%	0.69	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.7	172.1	-177.8	67.5	0	0	0	109.5	C446 R447 H450	C446-H452 WeakPolarHBondContact CA-O 3.39Å; R447-H452 PolarHBondContact N-O 3.04Å; R447-H452 PolarHBondContact O-N 2.88Å; H450-H452 VanDerWaalsContact C-N 3.26Å; H450-H452 PolarHBondContact O-N 3.16Å
453	C	91	Very high	88.2	Confident	13 Å²	13	53.2 Å²	53.2	9%	0.088	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.5	-168.3	-65.8	0	0	0	0	112.9	I406 V444 L445 C446 F451	I406-C453 WeakPolarHBondContact CG2-SG 3.44Å; V444-C453 HydrophobicContact CG1-CB 3.65Å; L445-C453 CarbonylContact O-C 3.55Å; L445-C453 WeakPolarHBondContact O-CA 3.2Å; C446-C453 HydrophobicContact CB-CB 4.17Å; C446-C453 WeakPolarHBondContact CB-SG 3.49Å; C446-C453 WeakPolarHBondContact SG-CB 3.48Å; C446-C453 CovalentContact SG-SG 2.04Å; C446-C453 PolarHBondContact SG-SG 3.34Å; F451-C453 PolarHBondContact O-N 3.39Å; F451-C453 PolarHBondContact O-SG 3.47Å; F451-C453 VanDerWaalsContact O-SG 3.39Å
454	Q	87.5	Confident	87.6	Confident	120 Å²	120	59.2 Å²	59.2	56%	0.561	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.5	175	-177	177.5	-8.9	0	0	110.3	V444 L445 V456	V444-Q454 WeakPolarHBondContact CA-O 3.11Å; L445-Q454 PolarHBondContact N-O 3.24Å; L445-Q454 PolarHBondContact O-N 2.95Å; Q454-V456 PolarHBondContact O-N 2.77Å
455	A	87.1	Confident	87.4	Confident	30 Å²	30	59.4 Å²	59.4	25%	0.248	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.2	171.5	0	0	0	0	0	110.5	T442 R546	T442-A455 HydrophobicContact CG2-CB 3.78Å; A455-R546 VanDerWaalsContact O-CZ 3.29Å; A455-R546 PolarHBondContact O-NE 3.5Å; A455-R546 PolarHBondContact O-NH2 2.84Å
456	V	85.1	Confident	87.5	Confident	8 Å²	8	58.3 Å²	58.3	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-47.8	179.5	-178.3	0	0	0	0	110.6	T443 L445 Q454 L521 R546	T443-V456 PolarHBondContact O-N 2.88Å; L445-V456 HydrophobicContact CB-CG2 3.59Å; Q454-V456 PolarHBondContact O-N 2.77Å; V456-L521 HydrophobicContact CG1-CD2 3.83Å; V456-R546 WeakPolarHBondContact O-CB 3.46Å; V456-R546 VanDerWaalsContact O-CD 3.28Å; V456-R546 WeakPolarHBondContact O-CD 3.44Å; V456-R546 WeakPolarHBondContact O-CG 3.38Å
457	H	87	Confident	87.4	Confident	19 Å²	19	58.3 Å²	58.3	9%	0.088	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	147.1	180	177.2	70.9	0	0	0	110.4	T442 T443 E459 I541	T442-H457 CarbonylContact C-O 3.45Å; T442-H457 WeakPolarHBondContact CA-O 3.05Å; T443-H457 PolarHBondContact N-O 3.34Å; T443-H457 PolarHBondContact O-N 2.78Å; H457-E459 PolarHBondContact NE2-N 2.84Å; H457-I541 HydrophobicContact CB-CD1 4.14Å; H457-I541 HydrophobicContact CB-CG2 4.43Å
458	T	89.6	Confident	87.1	Confident	58 Å²	58	52.7 Å²	52.7	36%	0.356	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.8	172	-59.6	0	0	0	0	109.2	K440 A441 T442 V460	K440-T458 HydrophobicContact CB-CG2 4.28Å; A441-T458 CarbonylContact O-C 3.48Å; A441-T458 WeakPolarHBondContact O-CA 3.38Å; T442-T458 WeakPolarHBondContact CG2-OG1 3.43Å; T442-T458 VanDerWaalsContact OG1-CG2 3.32Å; T442-T458 WeakPolarHBondContact OG1-CG2 3.44Å; T442-T458 PolarHBondContact OG1-OG1 3.23Å; T458-V460 HydrophobicContact CG2-CG2 4.14Å
459	E	90.1	Very high	86.7	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.2	164.6	-178	178	170.3	0	0	108.6	K440 A441 H457 V467 K523 L525 R536	K440-E459 VanDerWaalsContact CA-O 3.29Å; K440-E459 WeakPolarHBondContact CA-O 3.23Å; A441-E459 HydrophobicContact CB-CB 4.48Å; A441-E459 PolarHBondContact N-O 2.82Å; A441-E459 PolarHBondContact O-N 2.67Å; H457-E459 PolarHBondContact NE2-N 2.84Å; E459-V467 HydrophobicContact CG-CG1 4.09Å; E459-K523 IonicContact OE2-NZ 2.76Å; E459-K523 PolarHBondContact OE2-NZ 3.24Å; E459-L525 HydrophobicContact CB-CD2 3.95Å; E459-L525 HydrophobicContact CG-CD2 3.74Å; E459-L525 WeakPolarHBondContact OE2-CD2 3.35Å; E459-R536 IonicContact OE1-CZ 3.43Å; E459-R536 VanDerWaalsContact OE1-CZ 3.32Å; E459-R536 IonicContact OE1-NH1 3.81Å; E459-R536 PolarHBondContact OE1-NH1 2.93Å; E459-R536 IonicContact OE1-NH2 3.25Å; E459-R536 PolarHBondContact OE1-NH2 3.2Å; E459-R536 IonicContact OE2-NH1 2.93Å
460	V	91.1	Very high	86.1	Confident	79 Å²	79	47.8 Å²	47.8	48%	0.479	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.5	174.6	-175.9	0	0	0	0	107.4	K440 T458	K440-V460 HydrophobicContact CG-CG1 4.44Å; K440-V460 HydrophobicContact CG-CG2 4.27Å; T458-V460 HydrophobicContact CG2-CG2 4.14Å
461	T	89.4	Confident	85.6	Confident	36 Å²	36	40.7 Å²	40.7	22%	0.221	22%	0.219	C	C	.	.			trans	-72.6	161.5	-174.1	54.8	0	0	0	0	114	T439 G465 W466 V467	T439-T461 PolarHBondContact O-N 2.9Å; T461-G465 WeakPolarHBondContact CB-O 3.35Å; T461-G465 WeakPolarHBondContact CG2-O 3.27Å; T461-G465 PolarHBondContact OG1-O 2.89Å; T461-G465 VanDerWaalsContact OG1-O 3.1Å; T461-W466 VanDerWaalsContact CG2-C 3.43Å; T461-V467 HydrophobicContact CG2-CB 4.36Å; T461-V467 HydrophobicContact CG2-CG1 3.42Å; T461-V467 VanDerWaalsContact CG2-CG1 3.42Å; T461-V467 VanDerWaalsContact CG2-N 3.33Å
462	I	85.8	Confident	85	Confident	45 Å²	45	43.6 Å²	43.6	23%	0.231	23%	0.23	C	C	.	.	S	Bend	trans	-125.4	143.7	-176.2	-58.4	-175.2	0	0	0	107.3	D464 G465 P526	I462-D464 PolarHBondContact O-N 2.97Å; I462-G465 PolarHBondContact O-N 2.95Å; I462-P526 HydrophobicContact CD1-CB 3.93Å; I462-P526 HydrophobicContact CD1-CG 3.69Å; I462-P526 HydrophobicContact CG1-CG 4.48Å
463	N	78.6	Confident	84.8	Confident	74 Å²	74	36.7 Å²	36.7	40%	0.396	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	41.5	-179.4	-56.5	-14.7	0	0	0	113.1	G465	N463-G465 PolarHBondContact O-N 3.17Å
464	D	76.4	Confident	84.6	Confident	129 Å²	129	38.1 Å²	38.1	69%	0.69	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	19.8	-174.5	-57.7	-41.9	0	0	0	115.4	I462 H798	I462-D464 PolarHBondContact O-N 2.97Å; D464-H798 PolarHBondContact O-CE1 3.45Å; D464-H798 PolarHBondContact O-ND1 2.68Å; D464-H798 PolarHBondContact O-NE2 3.47Å
465	G	85.8	Confident	84.6	Confident	4 Å²	4	34 Å²	34	4%	0.041	19%	0.185	C	C	.	.			trans	-75.9	-161.6	177.4	0	0	0	0	0	114.9	T461 I462 N463	T461-G465 WeakPolarHBondContact CB-O 3.35Å; T461-G465 WeakPolarHBondContact CG2-O 3.27Å; T461-G465 PolarHBondContact OG1-O 2.89Å; T461-G465 VanDerWaalsContact OG1-O 3.1Å; I462-G465 PolarHBondContact O-N 2.95Å; N463-G465 PolarHBondContact O-N 3.17Å
466	W	90.4	Very high	84.3	Confident	5 Å²	5	33.1 Å²	33.1	2%	0.019	18%	0.177	C	C	.	.			trans	-121.3	149	-178.8	63.8	101	0	0	0	113.3	Q438 T461 R794 T795 V797 R874 Y875	Q438-W466 HydrophobicContact CB-CB 4.31Å; Q438-W466 WeakPolarHBondContact O-CA 3.37Å; T461-W466 VanDerWaalsContact CG2-C 3.43Å; W466-R794 HydrophobicContact CH2-CG 4.06Å; W466-R794 WeakPolarHBondContact CH2-O 3.47Å; W466-R794 HydrophobicContact CZ2-CG 4.03Å; W466-R794 VanDerWaalsContact CZ2-NH1 3.29Å; W466-R794 PolarHBondContact O-NH2 3.23Å; W466-T795 HydrophobicContact CZ3-CG2 4.44Å; W466-V797 HydrophobicContact CH2-CG2 4.48Å; W466-R874 HydrophobicContact CB-CG 3.47Å; W466-R874 VanDerWaalsContact CB-CG 3.47Å; W466-R874 HydrophobicContact CD2-CG 3.86Å; W466-R874 HydrophobicContact CE3-CG 4.44Å; W466-R874 HydrophobicContact CG-CG 3.39Å; W466-Y875 HydrophobicContact CD2-CD1 4.46Å; W466-Y875 AromaticContact CD2-CE1 3.98Å; W466-Y875 HydrophobicContact CD2-CE1 3.98Å; W466-Y875 AromaticContact CE2-CE1 3.67Å; W466-Y875 HydrophobicContact CE3-CD1 4.14Å; W466-Y875 HydrophobicContact CE3-CE1 4.05Å; W466-Y875 HydrophobicContact CH2-CD1 4.15Å; W466-Y875 AromaticContact CH2-CE1 3.67Å; W466-Y875 HydrophobicContact CH2-CE1 3.67Å; W466-Y875 HydrophobicContact CZ2-CD1 4.43Å; W466-Y875 AromaticContact CZ2-CE1 3.55Å; W466-Y875 HydrophobicContact CZ2-CE1 3.55Å; W466-Y875 AromaticContact CZ3-CD1 3.98Å; W466-Y875 HydrophobicContact CZ3-CD1 3.98Å; W466-Y875 AromaticContact CZ3-CE1 3.91Å; W466-Y875 HydrophobicContact CZ3-CE1 3.91Å
467	V	90.7	Very high	83.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.			trans	-76.1	167.5	175.1	-56.4	0	0	0	0	112	Q438 A441 E459 T461	Q438-V467 WeakPolarHBondContact O-CG2 3.48Å; Q438-V467 PolarHBondContact O-N 3.43Å; A441-V467 HydrophobicContact CB-CB 3.97Å; A441-V467 HydrophobicContact CB-CG1 4.26Å; A441-V467 HydrophobicContact CB-CG2 3.64Å; E459-V467 HydrophobicContact CG-CG1 4.09Å; T461-V467 HydrophobicContact CG2-CB 4.36Å; T461-V467 HydrophobicContact CG2-CG1 3.42Å; T461-V467 VanDerWaalsContact CG2-CG1 3.42Å; T461-V467 VanDerWaalsContact CG2-N 3.33Å
468	L	84.1	Confident	82.3	Confident	26 Å²	26	42 Å²	42	14%	0.136	22%	0.219	C	C	.	.			trans	-113.6	100.7	173	-60.9	179.7	0	0	0	109.8	E471	L468-E471 HydrophobicContact CB-CG 3.98Å
469	P	78.2	Confident	80.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16	-168.5	30.7	-33.3	0	0	0	114.7	E329 L330 T432 T434 E471 F870	E329-P469 WeakPolarHBondContact O-CG 3.5Å; L330-P469 HydrophobicContact CD2-CG 4.02Å; T432-P469 VanDerWaalsContact CG2-O 3.26Å; T432-P469 WeakPolarHBondContact CG2-O 3.14Å; T434-P469 HydrophobicContact CG2-CB 3.52Å; T434-P469 HydrophobicContact CG2-CG 3.9Å; P469-E471 VanDerWaalsContact C-N 3.3Å; P469-E471 PolarHBondContact O-N 2.67Å; P469-F870 HydrophobicContact CG-CZ 4.46Å
470	S	72.1	Confident	78.1	Confident	18 Å²	18	49.4 Å²	49.4	13%	0.126	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.6	173.8	50.2	0	0	0	0	115.1	E329 R472	E329-S470 WeakPolarHBondContact O-CB 3.08Å; E329-S470 PolarHBondContact O-N 3.21Å; E329-S470 PolarHBondContact O-OG 2.8Å; S470-R472 PolarHBondContact O-N 2.88Å
471	E	77.2	Confident	75.1	Confident	20 Å²	20	48.3 Å²	48.3	9%	0.093	26%	0.257	C	S	.	.			trans	-65	98.6	-172.9	-72.4	-176	158	0	0	112.5	L468 P469 K523 R524 R536	L468-E471 HydrophobicContact CB-CG 3.98Å; P469-E471 VanDerWaalsContact C-N 3.3Å; P469-E471 PolarHBondContact O-N 2.67Å; E471-K523 IonicContact OE2-NZ 3.51Å; E471-K523 PolarHBondContact OE2-NZ 3.03Å; E471-R524 IonicContact OE1-CZ 3.74Å; E471-R524 IonicContact OE1-NE 3.15Å; E471-R524 PolarHBondContact OE1-NE 3.27Å; E471-R524 IonicContact OE1-NH2 3.94Å; E471-R524 PolarHBondContact OE1-NH2 3.49Å; E471-R524 VanDerWaalsContact OE2-O 3.05Å; E471-R536 VanDerWaalsContact CD-NH1 3.26Å; E471-R536 IonicContact OE1-CZ 3.55Å; E471-R536 IonicContact OE1-NH1 3.98Å; E471-R536 PolarHBondContact OE1-NH1 2.99Å; E471-R536 IonicContact OE2-NH1 2.71Å; E471-R536 PolarHBondContact OE2-NH1 3.19Å
472	R	77.5	Confident	72.4	Confident	75 Å²	75	54.1 Å²	54.1	28%	0.283	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-65.9	125.2	-179.3	-57.7	-175.3	-170.7	-109.1	-10.2	111.2	E331 R334 S335 L421 S470	E331-R472 IonicContact OE2-CZ 3.91Å; E331-R472 IonicContact OE2-NE 3.63Å; E331-R472 PolarHBondContact OE2-NE 3.19Å; E331-R472 IonicContact OE2-NH2 2.87Å; E331-R472 PolarHBondContact OE2-NH2 2.95Å; R334-R472 PolarHBondContact O-NH1 3.32Å; S335-R472 PolarHBondContact OG-NH2 3.42Å; L421-R472 PolarHBondContact O-NH1 2.93Å; S470-R472 PolarHBondContact O-N 2.88Å
473	P	85.9	Confident	69.7	Low	3 Å²	3	59.8 Å²	59.8	2%	0.019	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-76.2	135	170.9	30.4	-32.9	0	0	0	111	T443 F475 L521 L522	T443-P473 HydrophobicContact CG2-CG 3.97Å; P473-F475 HydrophobicContact CB-CE2 4.07Å; P473-F475 HydrophobicContact CB-CZ 4.09Å; P473-F475 HydrophobicContact CG-CE2 3.64Å; P473-F475 HydrophobicContact CG-CZ 3.77Å; P473-L521 HydrophobicContact CB-CB 4.44Å; P473-L521 HydrophobicContact CB-CD1 4.03Å; P473-L521 HydrophobicContact CB-CD2 4.31Å; P473-L522 WeakPolarHBondContact CA-O 3.33Å
474	I	88	Confident	67.4	Low	43 Å²	43	67.3 Å²	67.3	22%	0.221	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.3	173	-56.9	-176.4	0	0	0	108.8	L521 L522 I561 W564	I474-L521 CarbonylContact O-C 3.42Å; I474-L521 WeakPolarHBondContact O-CA 3.29Å; I474-L522 HydrophobicContact CB-CB 4.44Å; I474-L522 PolarHBondContact N-O 2.87Å; I474-L522 PolarHBondContact O-N 2.83Å; I474-I561 HydrophobicContact CD1-CB 3.97Å; I474-I561 HydrophobicContact CD1-CG2 3.62Å; I474-W564 HydrophobicContact CG2-CB 4.19Å
475	F	85.8	Confident	65.2	Low	33 Å²	33	69.3 Å²	69.3	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	150.3	-177.1	-65.2	-86.6	0	0	0	113.2	A424 L445 P473 Y520 L521	A424-F475 HydrophobicContact CB-CB 4.02Å; A424-F475 HydrophobicContact CB-CD1 3.78Å; A424-F475 HydrophobicContact CB-CD2 3.42Å; A424-F475 VanDerWaalsContact CB-CD2 3.42Å; A424-F475 HydrophobicContact CB-CE1 4.05Å; A424-F475 HydrophobicContact CB-CE2 3.71Å; A424-F475 HydrophobicContact CB-CG 3.45Å; A424-F475 VanDerWaalsContact CB-CG 3.45Å; A424-F475 HydrophobicContact CB-CZ 4.02Å; L445-F475 HydrophobicContact CD1-CE1 4.32Å; L445-F475 HydrophobicContact CD1-CZ 4.25Å; P473-F475 HydrophobicContact CB-CE2 4.07Å; P473-F475 HydrophobicContact CB-CZ 4.09Å; P473-F475 HydrophobicContact CG-CE2 3.64Å; P473-F475 HydrophobicContact CG-CZ 3.77Å; F475-Y520 WeakPolarHBondContact CA-O 3.36Å; F475-L521 HydrophobicContact CD1-CB 3.74Å; F475-L521 HydrophobicContact CD1-CD2 4.36Å; F475-L521 HydrophobicContact CE1-CB 3.87Å; F475-L521 HydrophobicContact CE1-CD2 3.65Å; F475-L521 HydrophobicContact CE1-CG 4.43Å; F475-L521 HydrophobicContact CG-CB 4.39Å; F475-L521 HydrophobicContact CZ-CD2 4.19Å
476	S	82.6	Confident	62.4	Low	13 Å²	13	72.6 Å²	72.6	9%	0.091	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-66.9	140.3	170.7	161.7	0	0	0	0	111.9	Y520 E566	S476-Y520 PolarHBondContact N-O 2.96Å; S476-E566 WeakPolarHBondContact CB-OE1 3.35Å; S476-E566 PolarHBondContact OG-OE1 3.34Å; S476-E566 PolarHBondContact OG-OE2 3Å
477	V	71.7	Confident	59.4	Low	96 Å²	96	81.9 Å²	81.9	58%	0.582	42%	0.42	S	S	*	.	S	Bend	trans	-100.5	-26.1	-176.6	-172.5	0	0	0	0	111.7	N479 Q480 E566	V477-N479 PolarHBondContact O-N 3.45Å; V477-Q480 PolarHBondContact O-N 2.91Å; V477-E566 WeakPolarHBondContact CA-OE2 3.48Å; V477-E566 PolarHBondContact N-OE2 2.81Å
478	R	58.3	Low	56.5	Low	116 Å²	116	90.7 Å²	90.7	44%	0.438	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-51.2	-24	-178.1	-85.3	178.1	-177.5	-178.9	6.2	114.8	Q480 G481 E566 E569	R478-Q480 PolarHBondContact O-N 3.05Å; R478-Q480 VanDerWaalsContact O-N 3.17Å; R478-G481 PolarHBondContact O-N 2.9Å; R478-E566 VanDerWaalsContact CG-CD 3.44Å; R478-E566 HydrophobicContact CG-CG 3.9Å; R478-E566 PolarHBondContact N-OE2 2.88Å; R478-E566 PolarHBondContact NH2-O 3.22Å; R478-E569 IonicContact NH1-OE1 2.73Å; R478-E569 IonicContact NH2-OE1 3.16Å
479	N	47.8	Very low	53.9	Low	85 Å²	85	96.2 Å²	96.2	46%	0.455	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-67.9	-8.9	-178.7	-105.6	-4.3	0	0	0	115.6	V477 G481 G519	V477-N479 PolarHBondContact O-N 3.45Å; N479-G481 VanDerWaalsContact C-N 3.31Å; N479-G481 PolarHBondContact O-N 2.98Å; N479-G519 PolarHBondContact ND2-N 2.99Å
480	Q	42	Very low	51.6	Low	137 Å²	137	105 Å²	105	64%	0.64	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-75.9	-11.4	177.7	-61.3	-169.4	13.8	0	0	114.6	V477 R478	V477-Q480 PolarHBondContact O-N 2.91Å; R478-Q480 PolarHBondContact O-N 3.05Å; R478-Q480 VanDerWaalsContact O-N 3.17Å
481	G	29.7	Very low	49.5	Very low	56 Å²	56	112.1 Å²	112.1	58%	0.577	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-29.3	-167.8	0	0	0	0	0	118.3	R478 N479 N483	R478-G481 PolarHBondContact O-N 2.9Å; N479-G481 VanDerWaalsContact C-N 3.31Å; N479-G481 PolarHBondContact O-N 2.98Å; G481-N483 VanDerWaalsContact C-N 3.32Å; G481-N483 PolarHBondContact O-N 2.98Å
482	H	31.6	Very low	47.2	Very low	158 Å²	158	115.7 Å²	115.7	73%	0.731	61%	0.608	S	S	*	*			trans	-87.1	28.3	-155.7	-102.9	-97.2	0	0	0	117.8	R484	H482-R484 PolarHBondContact O-N 2.76Å
483	N	30	Very low	44.9	Very low	165 Å²	165	121.1 Å²	121.1	88%	0.882	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	49.9	173.3	-109.6	-17.9	0	0	0	113.1	G481	G481-N483 VanDerWaalsContact C-N 3.32Å; G481-N483 PolarHBondContact O-N 2.98Å
484	R	29.7	Very low	42	Very low	231 Å²	231	129.8 Å²	129.8	87%	0.872	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	-1.9	179.2	-89.5	-168.1	174.7	-164	0.8	116.4	H482	H482-R484 PolarHBondContact O-N 2.76Å
485	L	30.1	Very low	39.1	Very low	171 Å²	171	135.8 Å²	135.8	90%	0.895	71%	0.708	S	S	*	*	S	Bend	trans	-102.8	7.2	172.6	-119.3	70.9	0	0	0	114.7	K487	L485-K487 PolarHBondContact O-N 2.8Å
486	G	27.7	Very low	36.2	Very low	73 Å²	73	143.3 Å²	143.3	75%	0.753	74%	0.744	S	S	*	*			trans	-77.8	31.8	179.4	0	0	0	0	0	116
487	K	27.6	Very low	33.6	Very low	201 Å²	201	147.5 Å²	147.5	87%	0.874	78%	0.779	S	S	*	*	S	Bend	trans	-144.2	50.3	-176.2	-89.5	-160.4	173.6	-172.3	0	114.3	L485	L485-K487 PolarHBondContact O-N 2.8Å
488	M	28.2	Very low	31.3	Very low	185 Å²	185	152.5 Å²	152.5	91%	0.911	80%	0.796	S	S	*	*	S	Bend	trans	-151.4	21.4	166.9	-126.2	164.7	-171.3	0	0	117.4
489	V	31.1	Very low	29.9	Very low	141 Å²	141	152 Å²	152	86%	0.855	81%	0.81	S	S	*	*			trans	-132.1	77	169.3	-167.4	0	0	0	0	111.2
490	Q	28.8	Very low	28.7	Very low	184 Å²	184	157.2 Å²	157.2	86%	0.86	83%	0.832	S	S	*	*			trans	-127.9	131.9	148.5	-80.6	-175.2	-42.1	0	0	106
491	N	29.2	Very low	28	Very low	168 Å²	168	158.3 Å²	158.3	90%	0.898	84%	0.842	S	S	*	*			trans	101.5	72	-172.2	-56.4	-5	0	0	0	115.4
492	A	28	Very low	27.8	Very low	96 Å²	96	162.4 Å²	162.4	79%	0.793	86%	0.855	S	S	*	*			trans	-155.1	108.4	148.9	0	0	0	0	0	107.7
493	E	28.6	Very low	27.5	Very low	189 Å²	189	162 Å²	162	88%	0.883	86%	0.859	S	S	*	*			trans	-91.2	158.7	173.6	-69.3	175.2	122.7	0	0	110.2
494	E	26.4	Very low	27.3	Very low	184 Å²	184	160.2 Å²	160.2	86%	0.86	85%	0.854	S	S	*	*			trans	41.2	126.6	160.3	-61	-171.5	140.6	0	0	120.8
495	I	26.9	Very low	27.2	Very low	170 Å²	170	155.3 Å²	155.3	87%	0.872	85%	0.85	S	S	*	*				-164.9	153.6	107.6	-98.9	157.5	0	0	0	110
496	Q	25.4	Very low	27	Very low	191 Å²	191	155.4 Å²	155.4	89%	0.893	85%	0.851	S	S	*	*			trans	-81.5	161	-174.1	-63.9	171.9	-61.4	0	0	112.9
497	A	27.5	Very low	26.9	Very low	101 Å²	101	154.3 Å²	154.3	84%	0.835	84%	0.84	S	S	*	*			trans	-90.8	150.1	177.1	0	0	0	0	0	112.5
498	E	23.2	Very low	27.2	Very low	200 Å²	200	154.2 Å²	154.2	94%	0.935	84%	0.842	S	S	*	*			trans	-146.9	163.9	154.2	-138.3	170.4	-143.6	0	0	110.3
499	S	28.3	Very low	27	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	84%	0.835	S	S	*	*			trans	-120.9	153.2	-160	61.1	0	0	0	0	114.4
500	Q	23.8	Very low	26.8	Very low	195 Å²	195	152.9 Å²	152.9	91%	0.911	83%	0.833	S	S	*	*			trans	-157.3	144.4	159.2	-118.6	163.2	65.8	0	0	112.3
501	N	26.8	Very low	26.5	Very low	161 Å²	161	150 Å²	150	86%	0.861	83%	0.828	S	S	*	*			trans	-100.4	136.2	-177.4	-68.7	-30.3	0	0	0	111.3
502	V	24.9	Very low	26.4	Very low	141 Å²	141	144.9 Å²	144.9	86%	0.855	80%	0.802	S	S	*	*			trans	-140.3	131.3	160.3	-177.4	0	0	0	0	109.2
503	N	25.1	Very low	26.4	Very low	150 Å²	150	148.5 Å²	148.5	80%	0.802	80%	0.803	S	S	*	*			trans	-103.9	147.9	165.1	-72.9	-23	0	0	0	108.8
504	V	26.6	Very low	26.3	Very low	128 Å²	128	143.5 Å²	143.5	78%	0.776	78%	0.779	S	S	*	*			trans	158.9	120.7	130.8	156.4	0	0	0	0	112.7
505	T	26.9	Very low	26.8	Very low	128 Å²	128	140.9 Å²	140.9	79%	0.785	77%	0.77	S	S	*	*			trans	51.2	129.8	157.5	57.4	0	0	0	0	123.8
506	D	25.6	Very low	27.1	Very low	173 Å²	173	135.8 Å²	135.8	93%	0.925	75%	0.749	S	S	*	*			trans	78.4	152.7	143.1	-147.8	5	0	0	0	118.7
507	G	25.3	Very low	27.8	Very low	50 Å²	50	131.8 Å²	131.8	52%	0.515	73%	0.734	S	S	.	*			trans	96.7	128.3	-178.1	0	0	0	0	0	114.9	T509	G507-T509 PolarHBondContact O-N 2.96Å
508	Q	35.1	Very low	28.9	Very low	198 Å²	198	127.4 Å²	127.4	93%	0.925	70%	0.698	S	S	*	*			trans	-50.7	117.6	177	-62.1	166	-43.6	0	0	113
509	T	23.5	Very low	30.9	Very low	123 Å²	123	119 Å²	119	76%	0.755	67%	0.665	S	S	*	*			trans	-136.4	111.5	166.6	43.1	0	0	0	0	111.1	G507 T511	G507-T509 PolarHBondContact O-N 2.96Å; T509-T511 PolarHBondContact O-N 3.2Å
510	H	27.6	Very low	33.3	Very low	176 Å²	176	115.3 Å²	115.3	82%	0.815	64%	0.636	S	S	*	*			trans	-74.4	104.4	168.9	-79.3	-100.5	0	0	0	109	T512	H510-T512 HydrophobicContact CB-CG2 4.32Å; H510-T512 PolarHBondContact O-N 3.27Å
511	T	22.6	Very low	36.3	Very low	123 Å²	123	106.2 Å²	106.2	76%	0.755	59%	0.593	S	S	*	*			trans	-74.6	73.8	173.3	43.9	0	0	0	0	111.3	T509	T509-T511 PolarHBondContact O-N 3.2Å
512	T	26.7	Very low	39.3	Very low	60 Å²	60	98.5 Å²	98.5	37%	0.368	55%	0.552	S	S	.	*			trans	-79	114.8	173.5	46.7	0	0	0	0	110.6	H510 R600	H510-T512 HydrophobicContact CB-CG2 4.32Å; H510-T512 PolarHBondContact O-N 3.27Å; T512-R600 PolarHBondContact OG1-NE 2.97Å; T512-R600 PolarHBondContact OG1-NH1 3.13Å; T512-R600 VanDerWaalsContact OG1-NH1 3.14Å; T512-R600 PolarHBondContact OG1-NH2 3.45Å; T512-R600 VanDerWaalsContact OG1-NH2 3.13Å
513	H	27.4	Very low	42.5	Very low	172 Å²	172	92 Å²	92	80%	0.796	51%	0.512	S	S	*	.			trans	-82.1	138	162	-66	-85.4	0	0	0	108.9
514	E	26.8	Very low	45.7	Very low	84 Å²	84	86.3 Å²	86.3	39%	0.393	48%	0.479	S	S	.	.			trans	-115.8	126.7	-174.4	-59	178.3	163	0	0	109.9	S598 R600	E514-S598 WeakPolarHBondContact CG-O 3.33Å; E514-S598 WeakPolarHBondContact OE1-CB 3.05Å; E514-S598 VanDerWaalsContact OE1-O 3.13Å; E514-S598 PolarHBondContact OE1-OG 2.87Å; E514-R600 HydrophobicContact CG-CG 4.15Å; E514-R600 IonicContact OE1-CZ 3.21Å; E514-R600 IonicContact OE1-NE 2.68Å; E514-R600 PolarHBondContact OE1-NE 2.96Å; E514-R600 IonicContact OE1-NH1 2.65Å; E514-R600 PolarHBondContact OE1-NH1 3.01Å
515	I	36.9	Very low	48.8	Very low	130 Å²	130	80.8 Å²	80.8	67%	0.667	45%	0.445	S	S	*	.			trans	-140.3	134.4	163.1	-59	-176.3	0	0	0	108.9	L544	I515-L544 HydrophobicContact CB-CD1 4.47Å; I515-L544 HydrophobicContact CG2-CD1 4.4Å
516	S	32.6	Very low	52	Low	62 Å²	62	75.8 Å²	75.8	43%	0.434	42%	0.415	S	S	.	.			trans	-65.8	144.9	-177.5	55.1	0	0	0	0	115.2	N599	S516-N599 WeakPolarHBondContact CB-OD1 3.28Å
517	N	41.1	Very low	55.2	Low	108 Å²	108	68.7 Å²	68.7	58%	0.578	38%	0.378	S	S	*	.			trans	54.3	58	155	-61.6	-12	0	0	0	116.9
518	G	49.1	Very low	58.4	Low	8 Å²	8	74.7 Å²	74.7	8%	0.082	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-82.8	151.9	166.5	0	0	0	0	0	113.3
519	G	66.8	Low	60.9	Low	23 Å²	23	67.5 Å²	67.5	24%	0.237	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-72.6	135.4	170.7	0	0	0	0	0	111.2	N479 S543	N479-G519 PolarHBondContact ND2-N 2.99Å; G519-S543 PolarHBondContact N-OG 3.14Å; G519-S543 WeakPolarHBondContact O-CB 3.47Å; G519-S543 PolarHBondContact O-N 3.34Å; G519-S543 VanDerWaalsContact O-N 3.12Å; G519-S543 PolarHBondContact O-OG 2.84Å
520	Y	78.1	Confident	63.9	Low	29 Å²	29	63.9 Å²	63.9	11%	0.114	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	150.4	176.1	-49.4	-61.6	0	0	0	110.9	F475 S476 F540 L593 T601	F475-Y520 WeakPolarHBondContact CA-O 3.36Å; S476-Y520 PolarHBondContact N-O 2.96Å; Y520-F540 AromaticContact CD1-CE1 3.76Å; Y520-F540 HydrophobicContact CD1-CE1 3.76Å; Y520-F540 HydrophobicContact CD1-CE2 4.25Å; Y520-F540 AromaticContact CD1-CZ 3.28Å; Y520-F540 HydrophobicContact CD1-CZ 3.28Å; Y520-F540 HydrophobicContact CD2-CZ 4.22Å; Y520-F540 HydrophobicContact CE1-CE1 4.36Å; Y520-F540 AromaticContact CE1-CZ 3.94Å; Y520-F540 HydrophobicContact CE1-CZ 3.94Å; Y520-F540 HydrophobicContact CG-CE1 4.3Å; Y520-F540 AromaticContact CG-CE2 3.97Å; Y520-F540 HydrophobicContact CG-CE2 3.97Å; Y520-F540 AromaticContact CG-CZ 3.44Å; Y520-F540 HydrophobicContact CG-CZ 3.44Å; Y520-F540 VanDerWaalsContact CG-CZ 3.44Å; Y520-L593 HydrophobicContact CD2-CD1 4.08Å; Y520-L593 HydrophobicContact CE2-CD1 4.14Å; Y520-T601 HydrophobicContact CE1-CG2 4.36Å; Y520-T601 PolarHBondContact OH-OG1 2.83Å
521	L	86.8	Confident	66.5	Low	3 Å²	3	64.6 Å²	64.6	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.2	166.6	73	84.4	0	0	0	112.3	V456 P473 I474 F475 K523 I541	V456-L521 HydrophobicContact CG1-CD2 3.83Å; P473-L521 HydrophobicContact CB-CB 4.44Å; P473-L521 HydrophobicContact CB-CD1 4.03Å; P473-L521 HydrophobicContact CB-CD2 4.31Å; I474-L521 CarbonylContact O-C 3.42Å; I474-L521 WeakPolarHBondContact O-CA 3.29Å; F475-L521 HydrophobicContact CD1-CB 3.74Å; F475-L521 HydrophobicContact CD1-CD2 4.36Å; F475-L521 HydrophobicContact CE1-CB 3.87Å; F475-L521 HydrophobicContact CE1-CD2 3.65Å; F475-L521 HydrophobicContact CE1-CG 4.43Å; F475-L521 HydrophobicContact CG-CB 4.39Å; F475-L521 HydrophobicContact CZ-CD2 4.19Å; L521-K523 HydrophobicContact CD1-CB 4.09Å; L521-I541 HydrophobicContact CD1-CB 3.91Å; L521-I541 HydrophobicContact CD1-CD1 3.95Å; L521-I541 HydrophobicContact CD1-CG1 3.95Å; L521-I541 HydrophobicContact CG-CB 4.11Å; L521-I541 PolarHBondContact N-O 3.4Å; L521-I541 PolarHBondContact O-N 3.36Å
522	L	90.4	Very high	69.2	Low	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.7	165.9	-56.3	177.1	0	0	0	108.4	P473 I474 V539 F540 L551 I561 W564 V571 L591	P473-L522 WeakPolarHBondContact CA-O 3.33Å; I474-L522 HydrophobicContact CB-CB 4.44Å; I474-L522 PolarHBondContact N-O 2.87Å; I474-L522 PolarHBondContact O-N 2.83Å; L522-V539 WeakPolarHBondContact CA-O 3.33Å; L522-F540 HydrophobicContact CD2-CB 4.11Å; L522-F540 HydrophobicContact CD2-CD2 3.8Å; L522-F540 HydrophobicContact CD2-CG 4.39Å; L522-L551 HydrophobicContact CD2-CD1 3.79Å; L522-I561 HydrophobicContact CB-CD1 4.27Å; L522-W564 HydrophobicContact CD1-CB 3.96Å; L522-W564 HydrophobicContact CD1-CD2 3.78Å; L522-W564 HydrophobicContact CD1-CE3 3.75Å; L522-W564 HydrophobicContact CD1-CG 3.89Å; L522-W564 HydrophobicContact CG-CD2 4.3Å; L522-W564 HydrophobicContact CG-CE3 3.82Å; L522-W564 HydrophobicContact CG-CZ3 4.14Å; L522-V571 HydrophobicContact CD1-CB 4.37Å; L522-V571 HydrophobicContact CD1-CG1 3.73Å; L522-V571 HydrophobicContact CD1-CG2 3.64Å; L522-L591 HydrophobicContact CD2-CD2 4.25Å
523	K	90.6	Very high	72.2	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.017	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.1	166.6	-153.3	-157.5	-175	-117.6	0	108.9	E459 E471 L521 L525 V539 I541	E459-K523 IonicContact OE2-NZ 2.76Å; E459-K523 PolarHBondContact OE2-NZ 3.24Å; E471-K523 IonicContact OE2-NZ 3.51Å; E471-K523 PolarHBondContact OE2-NZ 3.03Å; L521-K523 HydrophobicContact CD1-CB 4.09Å; K523-L525 HydrophobicContact CB-CG 4.47Å; K523-L525 HydrophobicContact CD-CD2 3.94Å; K523-L525 HydrophobicContact CD-CG 4.16Å; K523-V539 PolarHBondContact N-O 3.04Å; K523-V539 PolarHBondContact O-N 3.47Å; K523-V539 VanDerWaalsContact O-O 3.11Å; K523-I541 HydrophobicContact CB-CD1 4.4Å
524	R	93	Very high	75.3	Confident	30 Å²	30	54.2 Å²	54.2	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.8	160.3	-169.6	174.7	72.1	141.1	-0	108.6	E471 R536 H537 E557 V558	E471-R524 IonicContact OE1-CZ 3.74Å; E471-R524 IonicContact OE1-NE 3.15Å; E471-R524 PolarHBondContact OE1-NE 3.27Å; E471-R524 IonicContact OE1-NH2 3.94Å; E471-R524 PolarHBondContact OE1-NH2 3.49Å; E471-R524 VanDerWaalsContact OE2-O 3.05Å; R524-R536 HydrophobicContact CG-CB 3.83Å; R524-H537 WeakPolarHBondContact CA-O 3.35Å; R524-E557 IonicContact NH1-OE1 2.7Å; R524-E557 PolarHBondContact NH1-OE1 3.49Å; R524-V558 WeakPolarHBondContact CD-O 3.47Å; R524-V558 PolarHBondContact NH1-O 3Å
525	L	92.3	Very high	78.5	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.9	176.9	-76.9	176.5	0	0	0	110.9	E459 K523 V527 R536 H537 V539 I541 P548	E459-L525 HydrophobicContact CB-CD2 3.95Å; E459-L525 HydrophobicContact CG-CD2 3.74Å; E459-L525 WeakPolarHBondContact OE2-CD2 3.35Å; K523-L525 HydrophobicContact CB-CG 4.47Å; K523-L525 HydrophobicContact CD-CD2 3.94Å; K523-L525 HydrophobicContact CD-CG 4.16Å; L525-V527 PolarHBondContact O-N 3.3Å; L525-R536 WeakPolarHBondContact O-CA 3.45Å; L525-H537 PolarHBondContact N-O 3.37Å; L525-H537 PolarHBondContact O-N 3.1Å; L525-V539 HydrophobicContact CB-CB 4.14Å; L525-V539 HydrophobicContact CB-CG2 3.78Å; L525-V539 HydrophobicContact CD1-CB 4.21Å; L525-V539 HydrophobicContact CD1-CG1 4Å; L525-I541 HydrophobicContact CD1-CD1 3.8Å; L525-P548 HydrophobicContact CD1-CB 4.2Å
526	P	93.2	Very high	81.2	Confident	23 Å²	23	45.8 Å²	45.8	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.9	175.5	30.2	-34.7	0	0	0	111.6	I462 H534 Y535 R536 E791	I462-P526 HydrophobicContact CD1-CB 3.93Å; I462-P526 HydrophobicContact CD1-CG 3.69Å; I462-P526 HydrophobicContact CG1-CG 4.48Å; P526-H534 HydrophobicContact CB-CB 4.21Å; P526-Y535 WeakPolarHBondContact CA-O 3.45Å; P526-R536 HydrophobicContact CB-CG 4.44Å; P526-E791 HydrophobicContact CB-CG 3.87Å
527	V	93.3	Very high	84.2	Confident	24 Å²	24	42.9 Å²	42.9	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.5	179	178.6	0	0	0	0	108.9	L525 H534 Y535 H537 V539 P550	L525-V527 PolarHBondContact O-N 3.3Å; V527-H534 CarbonylContact O-C 3.59Å; V527-H534 VanDerWaalsContact O-CA 3.22Å; V527-H534 WeakPolarHBondContact O-CA 2.99Å; V527-Y535 PolarHBondContact N-O 2.84Å; V527-Y535 PolarHBondContact O-N 3.32Å; V527-H537 HydrophobicContact CB-CB 4.17Å; V527-H537 HydrophobicContact CG2-CB 3.79Å; V527-V539 HydrophobicContact CG2-CG2 3.64Å; V527-P550 HydrophobicContact CG1-CB 3.88Å; V527-P550 HydrophobicContact CG1-CG 4.32Å; V527-P550 HydrophobicContact CG2-CB 3.85Å
528	R	91.8	Very high	86.8	Confident	177 Å²	177	37.8 Å²	37.8	67%	0.668	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	133	-176.5	-168.6	177	171.8	175.5	-0.9	111.7	G530 G533 H534	R528-G530 PolarHBondContact NE-O 2.9Å; R528-G530 PolarHBondContact NH2-O 3.23Å; R528-G533 WeakPolarHBondContact CA-O 3.19Å; R528-G533 WeakPolarHBondContact CG-O 3.49Å; R528-H534 VanDerWaalsContact CA-CD2 3.41Å; R528-H534 WeakPolarHBondContact CA-CD2 3.26Å; R528-H534 VanDerWaalsContact CB-CD2 3.48Å; R528-H534 WeakPolarHBondContact CB-CD2 3.39Å; R528-H534 WeakPolarHBondContact CB-NE2 3.49Å; R528-H534 PolarHBondContact N-CD2 2.74Å
529	D	88	Confident	88.8	Confident	46 Å²	46	37.5 Å²	37.5	25%	0.246	19%	0.191	C	C	.	.			trans	-123.8	80.4	175.3	-165.6	22	0	0	0	110.9	E531 H532 G533 Y535 G554 R555	D529-E531 PolarHBondContact O-N 2.85Å; D529-H532 PolarHBondContact O-N 3.49Å; D529-H532 VanDerWaalsContact O-N 3.1Å; D529-G533 PolarHBondContact N-O 3.33Å; D529-Y535 HydrophobicContact CB-CD2 4.07Å; D529-Y535 HydrophobicContact CB-CE2 4.43Å; D529-G554 VanDerWaalsContact OD2-CA 3.26Å; D529-G554 WeakPolarHBondContact OD2-CA 3.36Å; D529-R555 WeakPolarHBondContact OD2-CG 3.1Å; D529-R555 PolarHBondContact OD2-N 2.74Å; D529-R555 VanDerWaalsContact OD2-N 3.16Å
530	G	85.9	Confident	89.9	Confident	47 Å²	47	36.6 Å²	36.6	49%	0.485	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-121.3	177	0	0	0	0	0	114.5	R528	R528-G530 PolarHBondContact NE-O 2.9Å; R528-G530 PolarHBondContact NH2-O 3.23Å
531	E	82.2	Confident	90.2	Very high	192 Å²	192	35.2 Å²	35.2	90%	0.897	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-15.6	176.6	-61.7	-172.7	151.1	0	0	112.8	D529 G533	D529-E531 PolarHBondContact O-N 2.85Å; E531-G533 PolarHBondContact O-N 3.08Å; E531-G533 VanDerWaalsContact O-N 3.11Å
532	H	80.7	Confident	89.7	Confident	95 Å²	95	35.7 Å²	35.7	44%	0.44	18%	0.178	S	C	.	.	S	Bend	trans	-74.5	2.6	179.6	-59.8	-65.8	0	0	0	113.4	D529 Y535 R555	D529-H532 PolarHBondContact O-N 3.49Å; D529-H532 VanDerWaalsContact O-N 3.1Å; H532-Y535 HydrophobicContact CB-CE2 4.17Å; H532-R555 HydrophobicContact CB-CG 4.5Å; H532-R555 WeakPolarHBondContact CD2-CD 3.38Å; H532-R555 PolarHBondContact NE2-NH1 2.94Å; H532-R555 VanDerWaalsContact NE2-NH1 3.1Å
533	G	89	Confident	88.4	Confident	9 Å²	9	37.1 Å²	37.1	9%	0.093	19%	0.188	C	C	.	.			trans	93.8	-128.5	176	0	0	0	0	0	112.4	R528 D529 E531	R528-G533 WeakPolarHBondContact CA-O 3.19Å; R528-G533 WeakPolarHBondContact CG-O 3.49Å; D529-G533 PolarHBondContact N-O 3.33Å; E531-G533 PolarHBondContact O-N 3.08Å; E531-G533 VanDerWaalsContact O-N 3.11Å
534	H	93.6	Very high	86.9	Confident	33 Å²	33	40.9 Å²	40.9	15%	0.153	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.6	-177.4	-57.6	73.9	0	0	0	110.3	P526 V527 R528 E791	P526-H534 HydrophobicContact CB-CB 4.21Å; V527-H534 CarbonylContact O-C 3.59Å; V527-H534 VanDerWaalsContact O-CA 3.22Å; V527-H534 WeakPolarHBondContact O-CA 2.99Å; R528-H534 VanDerWaalsContact CA-CD2 3.41Å; R528-H534 WeakPolarHBondContact CA-CD2 3.26Å; R528-H534 VanDerWaalsContact CB-CD2 3.48Å; R528-H534 WeakPolarHBondContact CB-CD2 3.39Å; R528-H534 WeakPolarHBondContact CB-NE2 3.49Å; R528-H534 PolarHBondContact N-CD2 2.74Å; H534-E791 HydrophobicContact CB-CB 4.18Å; H534-E791 HydrophobicContact CB-CG 4.21Å; H534-E791 WeakPolarHBondContact O-CB 3.49Å; H534-E791 PolarHBondContact O-N 2.83Å
535	Y	94.3	Very high	85.4	Confident	33 Å²	33	44 Å²	44	13%	0.129	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145	176	-69.2	-86.8	0	0	0	109.5	P526 V527 D529 H532 H537 R555 Q789	P526-Y535 WeakPolarHBondContact CA-O 3.45Å; V527-Y535 PolarHBondContact N-O 2.84Å; V527-Y535 PolarHBondContact O-N 3.32Å; D529-Y535 HydrophobicContact CB-CD2 4.07Å; D529-Y535 HydrophobicContact CB-CE2 4.43Å; H532-Y535 HydrophobicContact CB-CE2 4.17Å; Y535-H537 PolarHBondContact O-CD2 2.8Å; Y535-H537 VanDerWaalsContact O-CD2 3.3Å; Y535-H537 PolarHBondContact O-N 3.01Å; Y535-R555 HydrophobicContact CE2-CB 4.09Å; Y535-R555 HydrophobicContact CE2-CG 4.11Å; Y535-Q789 WeakPolarHBondContact CE1-O 3.45Å
536	R	93.6	Very high	84.3	Confident	4 Å²	4	49 Å²	49	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.4	176.8	-74.8	-162.7	175.4	-105.8	-20.7	110.5	E459 E471 R524 L525 P526 E557 V558 E791	E459-R536 IonicContact OE1-CZ 3.43Å; E459-R536 VanDerWaalsContact OE1-CZ 3.32Å; E459-R536 IonicContact OE1-NH1 3.81Å; E459-R536 PolarHBondContact OE1-NH1 2.93Å; E459-R536 IonicContact OE1-NH2 3.25Å; E459-R536 PolarHBondContact OE1-NH2 3.2Å; E459-R536 IonicContact OE2-NH1 2.93Å; E471-R536 VanDerWaalsContact CD-NH1 3.26Å; E471-R536 IonicContact OE1-CZ 3.55Å; E471-R536 IonicContact OE1-NH1 3.98Å; E471-R536 PolarHBondContact OE1-NH1 2.99Å; E471-R536 IonicContact OE2-NH1 2.71Å; E471-R536 PolarHBondContact OE2-NH1 3.19Å; R524-R536 HydrophobicContact CG-CB 3.83Å; L525-R536 WeakPolarHBondContact O-CA 3.45Å; P526-R536 HydrophobicContact CB-CG 4.44Å; R536-E557 HydrophobicContact CB-CG 3.87Å; R536-V558 WeakPolarHBondContact O-CB 3.37Å; R536-V558 PolarHBondContact O-N 2.91Å; R536-E791 IonicContact CZ-OE1 3.23Å; R536-E791 VanDerWaalsContact CZ-OE1 3.27Å; R536-E791 IonicContact NE-OE1 3.71Å; R536-E791 PolarHBondContact NE-OE1 2.89Å; R536-E791 IonicContact NH2-OE1 2.74Å; R536-E791 PolarHBondContact NH2-OE1 2.88Å
537	H	95	Very high	83.4	Confident	1 Å²	1	57 Å²	57	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	165.4	-170.7	-85.7	-62.2	0	0	0	111.5	R524 L525 V527 Y535 V539 T552 G554 F556	R524-H537 WeakPolarHBondContact CA-O 3.35Å; L525-H537 PolarHBondContact N-O 3.37Å; L525-H537 PolarHBondContact O-N 3.1Å; V527-H537 HydrophobicContact CB-CB 4.17Å; V527-H537 HydrophobicContact CG2-CB 3.79Å; Y535-H537 PolarHBondContact O-CD2 2.8Å; Y535-H537 VanDerWaalsContact O-CD2 3.3Å; Y535-H537 PolarHBondContact O-N 3.01Å; H537-V539 PolarHBondContact O-N 3.22Å; H537-T552 WeakPolarHBondContact CB-O 3.17Å; H537-T552 VanDerWaalsContact CB-OG1 3.28Å; H537-T552 WeakPolarHBondContact CB-OG1 3.42Å; H537-T552 PolarHBondContact ND1-OG1 3.44Å; H537-G554 PolarHBondContact NE2-N 2.96Å; H537-G554 PolarHBondContact NE2-O 3.48Å; H537-F556 AromaticContact CE1-CD1 3.99Å; H537-F556 AromaticContact CE1-CD2 3.96Å; H537-F556 AromaticContact CE1-CE1 3.66Å; H537-F556 AromaticContact CE1-CE2 3.61Å; H537-F556 AromaticContact CE1-CZ 3.46Å; H537-F556 VanDerWaalsContact CE1-CZ 3.46Å; H537-F556 WeakPolarHBondContact CE1-CZ 3.3Å; H537-F556 PolarHBondContact CE1-O 2.86Å; H537-F556 AromaticContact ND1-CE2 3.88Å; H537-F556 AromaticContact ND1-CZ 3.78Å; H537-F556 PolarHBondContact NE2-O 3.13Å
538	V	94.3	Very high	83	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124	172.6	-173.2	0	0	0	0	108.8	L551 T552 V558 I561 V571 F573	V538-L551 HydrophobicContact CB-CB 4.39Å; V538-L551 HydrophobicContact CG1-CB 4.36Å; V538-L551 HydrophobicContact CG1-CD1 4Å; V538-L551 PolarHBondContact O-N 3.14Å; V538-T552 HydrophobicContact CB-CG2 4.22Å; V538-T552 HydrophobicContact CG2-CG2 4.22Å; V538-T552 PolarHBondContact N-OG1 3.05Å; V538-T552 PolarHBondContact O-N 3.2Å; V538-V558 HydrophobicContact CG2-CG1 4.1Å; V538-V558 HydrophobicContact CG2-CG2 4.16Å; V538-I561 HydrophobicContact CG1-CD1 4.08Å; V538-I561 HydrophobicContact CG2-CG1 4.34Å; V538-V571 HydrophobicContact CG1-CG1 4.26Å; V538-F573 HydrophobicContact CG2-CB 4.12Å; V538-F573 HydrophobicContact CG2-CD1 3.76Å; V538-F573 HydrophobicContact CG2-CD2 4.34Å; V538-F573 HydrophobicContact CG2-CE1 4.21Å; V538-F573 HydrophobicContact CG2-CG 3.83Å
539	V	91.9	Very high	82.8	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.1	-179.4	179.9	0	0	0	0	110.2	L522 K523 L525 V527 H537 I541 P548	L522-V539 WeakPolarHBondContact CA-O 3.33Å; K523-V539 PolarHBondContact N-O 3.04Å; K523-V539 PolarHBondContact O-N 3.47Å; K523-V539 VanDerWaalsContact O-O 3.11Å; L525-V539 HydrophobicContact CB-CB 4.14Å; L525-V539 HydrophobicContact CB-CG2 3.78Å; L525-V539 HydrophobicContact CD1-CB 4.21Å; L525-V539 HydrophobicContact CD1-CG1 4Å; V527-V539 HydrophobicContact CG2-CG2 3.64Å; H537-V539 PolarHBondContact O-N 3.22Å; V539-I541 HydrophobicContact CG1-CG1 4.29Å; V539-P548 HydrophobicContact CG1-CB 3.44Å; V539-P548 VanDerWaalsContact CG1-CB 3.44Å
540	F	89.1	Confident	82.9	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.3	173.7	-177.8	-83.1	0	0	0	110	Y520 L522 V549 L551 W564 L591 L593 I603	Y520-F540 AromaticContact CD1-CE1 3.76Å; Y520-F540 HydrophobicContact CD1-CE1 3.76Å; Y520-F540 HydrophobicContact CD1-CE2 4.25Å; Y520-F540 AromaticContact CD1-CZ 3.28Å; Y520-F540 HydrophobicContact CD1-CZ 3.28Å; Y520-F540 HydrophobicContact CD2-CZ 4.22Å; Y520-F540 HydrophobicContact CE1-CE1 4.36Å; Y520-F540 AromaticContact CE1-CZ 3.94Å; Y520-F540 HydrophobicContact CE1-CZ 3.94Å; Y520-F540 HydrophobicContact CG-CE1 4.3Å; Y520-F540 AromaticContact CG-CE2 3.97Å; Y520-F540 HydrophobicContact CG-CE2 3.97Å; Y520-F540 AromaticContact CG-CZ 3.44Å; Y520-F540 HydrophobicContact CG-CZ 3.44Å; Y520-F540 VanDerWaalsContact CG-CZ 3.44Å; L522-F540 HydrophobicContact CD2-CB 4.11Å; L522-F540 HydrophobicContact CD2-CD2 3.8Å; L522-F540 HydrophobicContact CD2-CG 4.39Å; F540-V549 PolarHBondContact N-O 3.06Å; F540-V549 PolarHBondContact O-N 2.88Å; F540-L551 HydrophobicContact CB-CD1 4.08Å; F540-L551 HydrophobicContact CB-CD2 3.8Å; F540-L551 HydrophobicContact CB-CG 3.95Å; F540-W564 HydrophobicContact CE2-CH2 4.09Å; F540-L591 HydrophobicContact CD2-CD2 4.21Å; F540-L593 HydrophobicContact CE2-CD1 4.03Å; F540-L593 HydrophobicContact CE2-CD2 3.68Å; F540-L593 HydrophobicContact CZ-CD1 4.28Å; F540-L593 HydrophobicContact CZ-CD2 3.79Å; F540-I603 HydrophobicContact CD1-CD1 3.34Å; F540-I603 HydrophobicContact CD1-CG1 4.35Å; F540-I603 HydrophobicContact CE1-CD1 3.5Å; F540-I603 HydrophobicContact CE1-CG1 4.19Å; F540-I603 HydrophobicContact CG-CD1 3.99Å; F540-I603 HydrophobicContact CZ-CD1 4.26Å
541	I	85.2	Confident	83.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.8	178.7	-40.3	-173.3	0	0	0	109.2	H457 L521 K523 L525 V539	H457-I541 HydrophobicContact CB-CD1 4.14Å; H457-I541 HydrophobicContact CB-CG2 4.43Å; L521-I541 HydrophobicContact CD1-CB 3.91Å; L521-I541 HydrophobicContact CD1-CD1 3.95Å; L521-I541 HydrophobicContact CD1-CG1 3.95Å; L521-I541 HydrophobicContact CG-CB 4.11Å; L521-I541 PolarHBondContact N-O 3.4Å; L521-I541 PolarHBondContact O-N 3.36Å; K523-I541 HydrophobicContact CB-CD1 4.4Å; L525-I541 HydrophobicContact CD1-CD1 3.8Å; V539-I541 HydrophobicContact CG1-CG1 4.29Å
542	S	75.6	Confident	83.6	Confident	13 Å²	13	42.9 Å²	42.9	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.3	166.6	167.8	0	0	0	0	109.3	L544 D545 R546	S542-L544 PolarHBondContact O-N 3.08Å; S542-L544 PolarHBondContact OG-N 3.34Å; S542-D545 WeakPolarHBondContact CB-OD2 3.24Å; S542-D545 PolarHBondContact OG-N 3.2Å; S542-D545 PolarHBondContact OG-OD2 2.77Å; S542-R546 WeakPolarHBondContact O-CA 3.17Å; S542-R546 PolarHBondContact O-N 3.4Å
543	S	63.9	Low	84.1	Confident	29 Å²	29	44.3 Å²	44.3	20%	0.203	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.5	177.6	59.6	0	0	0	0	114	G519	G519-S543 PolarHBondContact N-OG 3.14Å; G519-S543 WeakPolarHBondContact O-CB 3.47Å; G519-S543 PolarHBondContact O-N 3.34Å; G519-S543 VanDerWaalsContact O-N 3.12Å; G519-S543 PolarHBondContact O-OG 2.84Å
544	L	59.7	Low	84.2	Confident	84 Å²	84	44.7 Å²	44.7	44%	0.44	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-56.5	175.2	-62.8	176.7	0	0	0	111.1	I515 S542 R546	I515-L544 HydrophobicContact CB-CD1 4.47Å; I515-L544 HydrophobicContact CG2-CD1 4.4Å; S542-L544 PolarHBondContact O-N 3.08Å; S542-L544 PolarHBondContact OG-N 3.34Å; L544-R546 VanDerWaalsContact C-N 3.31Å; L544-R546 PolarHBondContact O-N 3.29Å
545	D	61.3	Low	84.1	Confident	96 Å²	96	47.5 Å²	47.5	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-24.8	-175.4	-53.3	-86.4	0	0	0	112.8	S542 R547	S542-D545 WeakPolarHBondContact CB-OD2 3.24Å; S542-D545 PolarHBondContact OG-N 3.2Å; S542-D545 PolarHBondContact OG-OD2 2.77Å; D545-R547 HydrophobicContact CB-CB 4.33Å; D545-R547 HydrophobicContact CB-CG 4.25Å; D545-R547 PolarHBondContact O-N 3.43Å
546	R	68.4	Low	84	Confident	116 Å²	116	47.7 Å²	47.7	44%	0.438	24%	0.236	S	C	.	.			trans	57.1	7.2	-171.8	-49.7	-171.1	168.6	141.1	-10.8	115.1	A455 V456 S542 L544 P548	A455-R546 VanDerWaalsContact O-CZ 3.29Å; A455-R546 PolarHBondContact O-NE 3.5Å; A455-R546 PolarHBondContact O-NH2 2.84Å; V456-R546 WeakPolarHBondContact O-CB 3.46Å; V456-R546 VanDerWaalsContact O-CD 3.28Å; V456-R546 WeakPolarHBondContact O-CD 3.44Å; V456-R546 WeakPolarHBondContact O-CG 3.38Å; S542-R546 WeakPolarHBondContact O-CA 3.17Å; S542-R546 PolarHBondContact O-N 3.4Å; L544-R546 VanDerWaalsContact C-N 3.31Å; L544-R546 PolarHBondContact O-N 3.29Å; R546-P548 WeakPolarHBondContact O-CD 3.37Å
547	R	75.2	Confident	84.1	Confident	190 Å²	190	48.1 Å²	48.1	72%	0.717	24%	0.238	S	C	*	.			trans	-79.4	122.8	-178	-68.6	-177.6	-175.6	-157.9	0.9	110.5	D545	D545-R547 HydrophobicContact CB-CB 4.33Å; D545-R547 HydrophobicContact CB-CG 4.25Å; D545-R547 PolarHBondContact O-N 3.43Å
548	P	84.6	Confident	84.1	Confident	72 Å²	72	48 Å²	48	47%	0.468	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.2	169.6	27.7	-31.1	0	0	0	110.9	L525 V539 R546	L525-P548 HydrophobicContact CD1-CB 4.2Å; V539-P548 HydrophobicContact CG1-CB 3.44Å; V539-P548 VanDerWaalsContact CG1-CB 3.44Å; R546-P548 WeakPolarHBondContact O-CD 3.37Å
549	V	87.3	Confident	84.1	Confident	57 Å²	57	49.5 Å²	49.5	35%	0.345	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.6	173.3	-178.8	0	0	0	0	108.6	F540 L551 I603	F540-V549 PolarHBondContact N-O 3.06Å; F540-V549 PolarHBondContact O-N 2.88Å; V549-L551 PolarHBondContact O-N 3.33Å; V549-I603 HydrophobicContact CB-CD1 4.11Å; V549-I603 HydrophobicContact CG1-CD1 4.1Å; V549-I603 HydrophobicContact CG2-CD1 4.11Å
550	P	90.4	Very high	84.1	Confident	51 Å²	51	54.5 Å²	54.5	33%	0.331	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.5	-179.5	28.9	-34.2	0	0	0	110.9	V527	V527-P550 HydrophobicContact CG1-CB 3.88Å; V527-P550 HydrophobicContact CG1-CG 4.32Å; V527-P550 HydrophobicContact CG2-CB 3.85Å
551	L	90.2	Very high	84.3	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.037	28%	0.275	C	S	.	.	S	Bend	trans	-91.6	-27	174.4	-57.2	-172.1	0	0	0	112	L522 V538 F540 V549 I589 L591 I603 S605	L522-L551 HydrophobicContact CD2-CD1 3.79Å; V538-L551 HydrophobicContact CB-CB 4.39Å; V538-L551 HydrophobicContact CG1-CB 4.36Å; V538-L551 HydrophobicContact CG1-CD1 4Å; V538-L551 PolarHBondContact O-N 3.14Å; F540-L551 HydrophobicContact CB-CD1 4.08Å; F540-L551 HydrophobicContact CB-CD2 3.8Å; F540-L551 HydrophobicContact CB-CG 3.95Å; V549-L551 PolarHBondContact O-N 3.33Å; L551-I589 HydrophobicContact CB-CD1 3.66Å; L551-I589 HydrophobicContact CD1-CD1 4.16Å; L551-L591 HydrophobicContact CD1-CD1 3.71Å; L551-L591 HydrophobicContact CD1-CD2 3.7Å; L551-L591 HydrophobicContact CD1-CG 4.28Å; L551-L591 HydrophobicContact CD2-CD1 3.59Å; L551-L591 HydrophobicContact CG-CD1 4.29Å; L551-I603 HydrophobicContact CD2-CG2 3.78Å; L551-S605 PolarHBondContact O-OG 2.77Å
552	T	92.2	Very high	84.7	Confident	3 Å²	3	57 Å²	57	2%	0.018	29%	0.285	C	S	.	.			trans	-126.2	154	175.3	64.1	0	0	0	0	110.6	H537 V538 F573 I589 P608	H537-T552 WeakPolarHBondContact CB-O 3.17Å; H537-T552 VanDerWaalsContact CB-OG1 3.28Å; H537-T552 WeakPolarHBondContact CB-OG1 3.42Å; H537-T552 PolarHBondContact ND1-OG1 3.44Å; V538-T552 HydrophobicContact CB-CG2 4.22Å; V538-T552 HydrophobicContact CG2-CG2 4.22Å; V538-T552 PolarHBondContact N-OG1 3.05Å; V538-T552 PolarHBondContact O-N 3.2Å; T552-F573 HydrophobicContact CG2-CE1 3.95Å; T552-F573 HydrophobicContact CG2-CZ 3.73Å; T552-I589 HydrophobicContact CG2-CD1 4.02Å; T552-I589 HydrophobicContact CG2-CG2 4.3Å; T552-P608 HydrophobicContact CG2-CG 4.09Å
553	M	91.5	Very high	85.5	Confident	125 Å²	125	56.5 Å²	56.5	62%	0.616	28%	0.281	S	S	*	.			trans	-157.2	159.5	177.6	60.9	-174.9	71.1	0	0	110.9	F556	M553-F556 WeakPolarHBondContact O-CE1 3.46Å
554	G	90.4	Very high	86.8	Confident	17 Å²	17	56 Å²	56	18%	0.175	28%	0.275	C	S	.	.	S	Bend	trans	124.3	178.3	178.8	0	0	0	0	0	113.6	D529 H537 F556	D529-G554 VanDerWaalsContact OD2-CA 3.26Å; D529-G554 WeakPolarHBondContact OD2-CA 3.36Å; H537-G554 PolarHBondContact NE2-N 2.96Å; H537-G554 PolarHBondContact NE2-O 3.48Å; G554-F556 PolarHBondContact O-N 3.38Å
555	R	91.4	Very high	88.3	Confident	93 Å²	93	52.3 Å²	52.3	35%	0.351	26%	0.256	S	S	.	.	S	Bend	trans	-81.1	42.1	-174.1	-52.1	-176.9	-58.9	-149	-0.4	114.5	D529 H532 Y535 E578	D529-R555 WeakPolarHBondContact OD2-CG 3.1Å; D529-R555 PolarHBondContact OD2-N 2.74Å; D529-R555 VanDerWaalsContact OD2-N 3.16Å; H532-R555 HydrophobicContact CB-CG 4.5Å; H532-R555 WeakPolarHBondContact CD2-CD 3.38Å; H532-R555 PolarHBondContact NE2-NH1 2.94Å; H532-R555 VanDerWaalsContact NE2-NH1 3.1Å; Y535-R555 HydrophobicContact CE2-CB 4.09Å; Y535-R555 HydrophobicContact CE2-CG 4.11Å; R555-E578 HydrophobicContact CB-CG 4.23Å; R555-E578 IonicContact CZ-OE1 3.85Å; R555-E578 IonicContact CZ-OE2 3.54Å; R555-E578 VanDerWaalsContact NE-CD 3.33Å; R555-E578 IonicContact NE-OE1 2.7Å; R555-E578 PolarHBondContact NE-OE1 3.35Å; R555-E578 IonicContact NE-OE2 3.51Å; R555-E578 PolarHBondContact NE-OE2 2.91Å; R555-E578 IonicContact NH2-OE1 2.77Å; R555-E578 PolarHBondContact NH2-OE1 2.92Å; R555-E578 IonicContact NH2-OE2 4Å; R555-E578 PolarHBondContact NH2-OE2 3Å; R555-E578 VanDerWaalsContact O-CA 3.3Å; R555-E578 WeakPolarHBondContact O-CA 3.34Å; R555-E578 WeakPolarHBondContact O-CB 3.39Å
556	F	93.6	Very high	89.4	Confident	37 Å²	37	48.3 Å²	48.3	16%	0.162	23%	0.234	C	C	.	.	S	Bend	trans	-132.4	152.4	175	73.6	-94.5	0	0	0	108.6	H537 M553 G554 V558 F573 A575 A576 P608	H537-F556 AromaticContact CE1-CD1 3.99Å; H537-F556 AromaticContact CE1-CD2 3.96Å; H537-F556 AromaticContact CE1-CE1 3.66Å; H537-F556 AromaticContact CE1-CE2 3.61Å; H537-F556 AromaticContact CE1-CZ 3.46Å; H537-F556 VanDerWaalsContact CE1-CZ 3.46Å; H537-F556 WeakPolarHBondContact CE1-CZ 3.3Å; H537-F556 PolarHBondContact CE1-O 2.86Å; H537-F556 AromaticContact ND1-CE2 3.88Å; H537-F556 AromaticContact ND1-CZ 3.78Å; H537-F556 PolarHBondContact NE2-O 3.13Å; M553-F556 WeakPolarHBondContact O-CE1 3.46Å; G554-F556 PolarHBondContact O-N 3.38Å; F556-V558 HydrophobicContact CE2-CG2 3.98Å; F556-F573 HydrophobicContact CE2-CE2 4.23Å; F556-A575 HydrophobicContact CD2-CB 3.97Å; F556-A575 HydrophobicContact CE2-CB 4.21Å; F556-A576 WeakPolarHBondContact CB-O 3.33Å; F556-P608 HydrophobicContact CZ-CG 4.02Å
557	E	94.3	Very high	90.3	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.056	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.9	-177	-155.5	178.6	130.7	0	0	111.1	R524 R536 A575 A576 F788 G790	R524-E557 IonicContact NH1-OE1 2.7Å; R524-E557 PolarHBondContact NH1-OE1 3.49Å; R536-E557 HydrophobicContact CB-CG 3.87Å; E557-A575 CarbonylContact O-C 3.56Å; E557-A575 WeakPolarHBondContact O-CA 3.41Å; E557-A575 WeakPolarHBondContact O-CB 3.13Å; E557-A576 PolarHBondContact N-O 3.05Å; E557-A576 PolarHBondContact O-N 3.1Å; E557-F788 VanDerWaalsContact OE2-CA 3.27Å; E557-F788 WeakPolarHBondContact OE2-CA 3.34Å; E557-G790 WeakPolarHBondContact OE2-CA 3.35Å; E557-G790 PolarHBondContact OE2-N 2.89Å
558	V	95.9	Very high	90.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.1	166.7	177.5	0	0	0	0	107.6	R524 R536 V538 F556 F573	R524-V558 WeakPolarHBondContact CD-O 3.47Å; R524-V558 PolarHBondContact NH1-O 3Å; R536-V558 WeakPolarHBondContact O-CB 3.37Å; R536-V558 PolarHBondContact O-N 2.91Å; V538-V558 HydrophobicContact CG2-CG1 4.1Å; V538-V558 HydrophobicContact CG2-CG2 4.16Å; F556-V558 HydrophobicContact CE2-CG2 3.98Å; V558-F573 HydrophobicContact CB-CD2 4.43Å; V558-F573 HydrophobicContact CG1-CB 4.08Å; V558-F573 HydrophobicContact CG1-CD2 3.95Å; V558-F573 HydrophobicContact CG1-CG 4.31Å; V558-F573 HydrophobicContact CG2-CD2 3.79Å; V558-F573 HydrophobicContact CG2-CE2 3.88Å
559	T	93.8	Very high	91.2	Very high	30 Å²	30	43.5 Å²	43.5	18%	0.184	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-30.8	-176.7	67.2	0	0	0	0	112.6	M574 A576 F788	T559-M574 PolarHBondContact N-O 3.07Å; T559-M574 WeakPolarHBondContact OG1-CB 3.36Å; T559-M574 PolarHBondContact OG1-O 3.49Å; T559-A576 HydrophobicContact CG2-CB 4.15Å; T559-F788 HydrophobicContact CG2-CD1 3.55Å; T559-F788 HydrophobicContact CG2-CE1 3.74Å
560	E	92.6	Very high	91.4	Very high	109 Å²	109	42 Å²	42	51%	0.509	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	141.3	-177.1	-178.2	179.2	-172.7	0	0	109	F573 M574	E560-F573 CarbonylContact O-C 3.6Å; E560-F573 VanDerWaalsContact O-CA 3.31Å; E560-F573 WeakPolarHBondContact O-CA 3.3Å; E560-F573 VanDerWaalsContact O-CB 3.31Å; E560-F573 WeakPolarHBondContact O-CB 3.28Å; E560-M574 HydrophobicContact CB-CB 4.21Å; E560-M574 HydrophobicContact CB-CG 4.4Å; E560-M574 PolarHBondContact N-O 2.98Å; E560-M574 PolarHBondContact O-N 2.96Å
561	I	93.8	Very high	91.6	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.1	166.1	-50.6	174.6	0	0	0	106.2	I474 L522 V538 V571	I474-I561 HydrophobicContact CD1-CB 3.97Å; I474-I561 HydrophobicContact CD1-CG2 3.62Å; L522-I561 HydrophobicContact CB-CD1 4.27Å; V538-I561 HydrophobicContact CG1-CD1 4.08Å; V538-I561 HydrophobicContact CG2-CG1 4.34Å; I561-V571 HydrophobicContact CG2-CG1 4.02Å
562	V	93	Very high	91.9	Very high	32 Å²	32	39.4 Å²	39.4	19%	0.194	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-28.9	-172.1	-166.8	0	0	0	0	111.2	Y572 M574 L586 F661	V562-Y572 PolarHBondContact N-O 3.22Å; V562-M574 HydrophobicContact CG2-CG 3.61Å; V562-M574 HydrophobicContact CG2-SD 4.1Å; V562-L586 HydrophobicContact CG2-CD1 4.23Å; V562-F661 HydrophobicContact CB-CD2 4.44Å; V562-F661 HydrophobicContact CB-CE2 4.31Å; V562-F661 HydrophobicContact CG1-CD2 3.71Å; V562-F661 HydrophobicContact CG1-CE2 3.94Å
563	G	91.6	Very high	92.2	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	175.3	174.2	0	0	0	0	0	115.1	Y572 Y665	G563-Y572 PolarHBondContact N-O 3.35Å; G563-Y572 PolarHBondContact O-N 2.7Å; G563-Y665 WeakPolarHBondContact CA-OH 3.38Å
564	W	91.2	Very high	92.4	Very high	17 Å²	17	33.6 Å²	33.6	6%	0.064	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	109.6	178.2	-176.3	7.2	0	0	0	109.7	I474 L522 F540 E566 V571 L591 L593 Y665	I474-W564 HydrophobicContact CG2-CB 4.19Å; L522-W564 HydrophobicContact CD1-CB 3.96Å; L522-W564 HydrophobicContact CD1-CD2 3.78Å; L522-W564 HydrophobicContact CD1-CE3 3.75Å; L522-W564 HydrophobicContact CD1-CG 3.89Å; L522-W564 HydrophobicContact CG-CD2 4.3Å; L522-W564 HydrophobicContact CG-CE3 3.82Å; L522-W564 HydrophobicContact CG-CZ3 4.14Å; F540-W564 HydrophobicContact CE2-CH2 4.09Å; W564-E566 VanDerWaalsContact C-N 3.33Å; W564-E566 HydrophobicContact CZ2-CG 4.18Å; W564-E566 PolarHBondContact O-N 3.2Å; W564-V571 HydrophobicContact CG-CG2 4.18Å; W564-L591 HydrophobicContact CZ2-CD2 4.11Å; W564-L593 HydrophobicContact CH2-CD1 4.33Å; W564-L593 HydrophobicContact CZ2-CD1 3.98Å; W564-Y665 PolarHBondContact N-OH 2.78Å; W564-Y665 WeakPolarHBondContact O-CE2 3.32Å; W564-Y665 PolarHBondContact O-OH 2.98Å
565	D	91.4	Very high	92.8	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	81.7	168	-176.4	-12.3	0	0	0	108.6	P567 H568 E569 I570 Y572 Y665	D565-P567 WeakPolarHBondContact OD1-CD 3.22Å; D565-H568 PolarHBondContact O-N 2.83Å; D565-H568 IonicContact OD1-CG 3.82Å; D565-H568 PolarHBondContact OD1-N 2.67Å; D565-H568 IonicContact OD1-ND1 3.25Å; D565-H568 PolarHBondContact OD1-ND1 3.49Å; D565-H568 IonicContact OD2-CE1 3.26Å; D565-H568 IonicContact OD2-CG 2.66Å; D565-H568 IonicContact OD2-ND1 2.79Å; D565-H568 PolarHBondContact OD2-ND1 3.26Å; D565-E569 WeakPolarHBondContact O-CA 3.49Å; D565-E569 PolarHBondContact O-N 3.19Å; D565-I570 HydrophobicContact CB-CB 4.33Å; D565-I570 PolarHBondContact N-O 2.57Å; D565-I570 PolarHBondContact O-N 2.95Å; D565-Y572 HydrophobicContact CB-CE2 3.91Å; D565-Y665 HydrophobicContact CB-CD2 3.72Å; D565-Y665 HydrophobicContact CB-CE2 4.25Å; D565-Y665 HydrophobicContact CB-CG 3.88Å
566	E	85.1	Confident	93	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.056	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.8	177.9	-168.7	176.6	-150.2	0	0	113.9	S476 V477 R478 W564	S476-E566 WeakPolarHBondContact CB-OE1 3.35Å; S476-E566 PolarHBondContact OG-OE1 3.34Å; S476-E566 PolarHBondContact OG-OE2 3Å; V477-E566 WeakPolarHBondContact CA-OE2 3.48Å; V477-E566 PolarHBondContact N-OE2 2.81Å; R478-E566 VanDerWaalsContact CG-CD 3.44Å; R478-E566 HydrophobicContact CG-CG 3.9Å; R478-E566 PolarHBondContact N-OE2 2.88Å; R478-E566 PolarHBondContact NH2-O 3.22Å; W564-E566 VanDerWaalsContact C-N 3.33Å; W564-E566 HydrophobicContact CZ2-CG 4.18Å; W564-E566 PolarHBondContact O-N 3.2Å
567	P	86.4	Confident	93.1	Very high	102 Å²	102	27.1 Å²	27.1	66%	0.662	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-47.3	169.5	-28.3	37	0	0	0	114.4	D565	D565-P567 WeakPolarHBondContact OD1-CD 3.22Å
568	H	88.9	Confident	92.9	Very high	129 Å²	129	30 Å²	30	60%	0.597	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	3.2	-178.3	-53.4	109.2	0	0	0	114.4	D565 I570	D565-H568 PolarHBondContact O-N 2.83Å; D565-H568 IonicContact OD1-CG 3.82Å; D565-H568 PolarHBondContact OD1-N 2.67Å; D565-H568 IonicContact OD1-ND1 3.25Å; D565-H568 PolarHBondContact OD1-ND1 3.49Å; D565-H568 IonicContact OD2-CE1 3.26Å; D565-H568 IonicContact OD2-CG 2.66Å; D565-H568 IonicContact OD2-ND1 2.79Å; D565-H568 PolarHBondContact OD2-ND1 3.26Å; H568-I570 HydrophobicContact CB-CD1 4.29Å
569	E	89.9	Confident	92.7	Very high	45 Å²	45	36.9 Å²	36.9	21%	0.21	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	47.2	-179.9	-57.8	-165.9	145.7	0	0	113	R478 D565 S590 L591 K592	R478-E569 IonicContact NH1-OE1 2.73Å; R478-E569 IonicContact NH2-OE1 3.16Å; D565-E569 WeakPolarHBondContact O-CA 3.49Å; D565-E569 PolarHBondContact O-N 3.19Å; E569-S590 CarbonylContact O-C 3.59Å; E569-S590 WeakPolarHBondContact O-CA 3.14Å; E569-L591 WeakPolarHBondContact CB-O 3.3Å; E569-L591 PolarHBondContact O-N 3.2Å; E569-K592 WeakPolarHBondContact OE2-CG 3.33Å
570	I	92.9	Very high	92.7	Very high	25 Å²	25	41 Å²	41	13%	0.128	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.3	-179.3	-58.4	170.9	0	0	0	111.7	D565 H568 Y572 K588 I589	D565-I570 HydrophobicContact CB-CB 4.33Å; D565-I570 PolarHBondContact N-O 2.57Å; D565-I570 PolarHBondContact O-N 2.95Å; H568-I570 HydrophobicContact CB-CD1 4.29Å; I570-Y572 HydrophobicContact CB-CE2 4.2Å; I570-Y572 HydrophobicContact CG2-CD1 4.25Å; I570-Y572 HydrophobicContact CG2-CD2 4.22Å; I570-Y572 HydrophobicContact CG2-CE1 3.74Å; I570-Y572 HydrophobicContact CG2-CE2 3.7Å; I570-Y572 HydrophobicContact CG2-CG 4.47Å; I570-Y572 VanDerWaalsContact CG2-CZ 3.42Å; I570-K588 HydrophobicContact CG2-CB 3.84Å; I570-K588 HydrophobicContact CG2-CD 4.23Å; I570-K588 HydrophobicContact CG2-CG 4.5Å; I570-I589 WeakPolarHBondContact CA-O 3.31Å
571	V	94.4	Very high	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.9	169.6	-177.6	0	0	0	0	109.8	L522 V538 I561 W564 K588 I589 L591	L522-V571 HydrophobicContact CD1-CB 4.37Å; L522-V571 HydrophobicContact CD1-CG1 3.73Å; L522-V571 HydrophobicContact CD1-CG2 3.64Å; V538-V571 HydrophobicContact CG1-CG1 4.26Å; I561-V571 HydrophobicContact CG2-CG1 4.02Å; W564-V571 HydrophobicContact CG-CG2 4.18Å; V571-K588 WeakPolarHBondContact O-CA 3.35Å; V571-I589 HydrophobicContact CB-CD1 4.38Å; V571-I589 HydrophobicContact CB-CG1 3.92Å; V571-I589 PolarHBondContact N-O 2.98Å; V571-I589 PolarHBondContact O-N 2.95Å; V571-L591 HydrophobicContact CG2-CB 4.13Å; V571-L591 HydrophobicContact CG2-CD2 3.63Å
572	Y	96.8	Very high	92.9	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.4	179	-60.7	-79.3	0	0	0	110.9	V562 G563 D565 I570 Y587 K588 L611 F661 Y665 T685	V562-Y572 PolarHBondContact N-O 3.22Å; G563-Y572 PolarHBondContact N-O 3.35Å; G563-Y572 PolarHBondContact O-N 2.7Å; D565-Y572 HydrophobicContact CB-CE2 3.91Å; I570-Y572 HydrophobicContact CB-CE2 4.2Å; I570-Y572 HydrophobicContact CG2-CD1 4.25Å; I570-Y572 HydrophobicContact CG2-CD2 4.22Å; I570-Y572 HydrophobicContact CG2-CE1 3.74Å; I570-Y572 HydrophobicContact CG2-CE2 3.7Å; I570-Y572 HydrophobicContact CG2-CG 4.47Å; I570-Y572 VanDerWaalsContact CG2-CZ 3.42Å; Y572-Y587 WeakPolarHBondContact CA-O 3.37Å; Y572-K588 HydrophobicContact CD1-CB 3.72Å; Y572-K588 HydrophobicContact CE1-CB 3.75Å; Y572-K588 HydrophobicContact CE1-CD 3.97Å; Y572-L611 HydrophobicContact CD1-CD1 4.17Å; Y572-L611 HydrophobicContact CE1-CD1 4.09Å; Y572-F661 HydrophobicContact CD1-CE1 4.13Å; Y572-F661 HydrophobicContact CD1-CE2 4.2Å; Y572-F661 AromaticContact CD1-CZ 3.46Å; Y572-F661 HydrophobicContact CD1-CZ 3.46Å; Y572-F661 VanDerWaalsContact CD1-CZ 3.46Å; Y572-F661 HydrophobicContact CD2-CE1 4.22Å; Y572-F661 HydrophobicContact CD2-CE2 4.29Å; Y572-F661 AromaticContact CD2-CZ 3.93Å; Y572-F661 HydrophobicContact CD2-CZ 3.93Å; Y572-F661 HydrophobicContact CE1-CE1 4.12Å; Y572-F661 AromaticContact CE1-CZ 3.9Å; Y572-F661 HydrophobicContact CE1-CZ 3.9Å; Y572-F661 HydrophobicContact CE2-CE1 4.23Å; Y572-F661 HydrophobicContact CE2-CZ 4.33Å; Y572-F661 HydrophobicContact CG-CE1 4.19Å; Y572-F661 AromaticContact CG-CE2 3.83Å; Y572-F661 HydrophobicContact CG-CE2 3.83Å; Y572-F661 AromaticContact CG-CZ 3.48Å; Y572-F661 HydrophobicContact CG-CZ 3.48Å; Y572-F661 VanDerWaalsContact CG-CZ 3.48Å; Y572-Y665 AromaticContact CD2-CD1 3.87Å; Y572-Y665 HydrophobicContact CD2-CD1 3.87Å; Y572-Y665 HydrophobicContact CD2-CE1 4.22Å; Y572-Y665 AromaticContact CE2-CD1 3.92Å; Y572-Y665 HydrophobicContact CE2-CD1 3.92Å; Y572-Y665 HydrophobicContact CE2-CG 4.3Å; Y572-T685 HydrophobicContact CE1-CG2 4.01Å; Y572-T685 WeakPolarHBondContact OH-CG2 3.37Å
573	F	96.9	Very high	93	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.7	-178.8	61.1	-89.2	0	0	0	112.2	V538 T552 F556 V558 E560 A575 Y587 I589 P608	V538-F573 HydrophobicContact CG2-CB 4.12Å; V538-F573 HydrophobicContact CG2-CD1 3.76Å; V538-F573 HydrophobicContact CG2-CD2 4.34Å; V538-F573 HydrophobicContact CG2-CE1 4.21Å; V538-F573 HydrophobicContact CG2-CG 3.83Å; T552-F573 HydrophobicContact CG2-CE1 3.95Å; T552-F573 HydrophobicContact CG2-CZ 3.73Å; F556-F573 HydrophobicContact CE2-CE2 4.23Å; V558-F573 HydrophobicContact CB-CD2 4.43Å; V558-F573 HydrophobicContact CG1-CB 4.08Å; V558-F573 HydrophobicContact CG1-CD2 3.95Å; V558-F573 HydrophobicContact CG1-CG 4.31Å; V558-F573 HydrophobicContact CG2-CD2 3.79Å; V558-F573 HydrophobicContact CG2-CE2 3.88Å; E560-F573 CarbonylContact O-C 3.6Å; E560-F573 VanDerWaalsContact O-CA 3.31Å; E560-F573 WeakPolarHBondContact O-CA 3.3Å; E560-F573 VanDerWaalsContact O-CB 3.31Å; E560-F573 WeakPolarHBondContact O-CB 3.28Å; F573-A575 HydrophobicContact CD2-CB 4.21Å; F573-A575 HydrophobicContact CE2-CB 4.18Å; F573-Y587 HydrophobicContact CE2-CD2 4.33Å; F573-Y587 HydrophobicContact CE2-CG 4.05Å; F573-Y587 HydrophobicContact CZ-CG 4.35Å; F573-Y587 PolarHBondContact N-O 2.77Å; F573-Y587 PolarHBondContact O-N 3.14Å; F573-I589 HydrophobicContact CE1-CD1 4.49Å; F573-I589 HydrophobicContact CE1-CG1 4.17Å; F573-I589 HydrophobicContact CE1-CG2 4.08Å; F573-P608 HydrophobicContact CZ-CB 4.01Å; F573-P608 HydrophobicContact CZ-CG 4.11Å
574	M	97.3	Very high	93.3	Very high	6 Å²	6	35 Å²	35	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.6	168.8	-59.9	-55.9	-65.1	0	0	109.4	T559 E560 V562 R584 H585 L586 N657 V659	T559-M574 PolarHBondContact N-O 3.07Å; T559-M574 WeakPolarHBondContact OG1-CB 3.36Å; T559-M574 PolarHBondContact OG1-O 3.49Å; E560-M574 HydrophobicContact CB-CB 4.21Å; E560-M574 HydrophobicContact CB-CG 4.4Å; E560-M574 PolarHBondContact N-O 2.98Å; E560-M574 PolarHBondContact O-N 2.96Å; V562-M574 HydrophobicContact CG2-CG 3.61Å; V562-M574 HydrophobicContact CG2-SD 4.1Å; M574-R584 HydrophobicContact CE-CB 4.2Å; M574-H585 WeakPolarHBondContact CA-O 3.42Å; M574-L586 HydrophobicContact SD-CB 3.91Å; M574-L586 HydrophobicContact SD-CD1 3.81Å; M574-N657 HydrophobicContact CE-CB 4.05Å; M574-N657 WeakPolarHBondContact CE-O 3.49Å; M574-V659 HydrophobicContact SD-CB 4.29Å; M574-V659 HydrophobicContact SD-CG2 4.17Å
575	A	97	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.3	173.7	0	0	0	0	0	112.9	F556 E557 F573 H585 Y587	F556-A575 HydrophobicContact CD2-CB 3.97Å; F556-A575 HydrophobicContact CE2-CB 4.21Å; E557-A575 CarbonylContact O-C 3.56Å; E557-A575 WeakPolarHBondContact O-CA 3.41Å; E557-A575 WeakPolarHBondContact O-CB 3.13Å; F573-A575 HydrophobicContact CD2-CB 4.21Å; F573-A575 HydrophobicContact CE2-CB 4.18Å; A575-H585 PolarHBondContact N-O 2.85Å; A575-H585 PolarHBondContact O-N 3.47Å; A575-H585 VanDerWaalsContact O-N 3.11Å; A575-Y587 HydrophobicContact CB-CD2 3.79Å; A575-Y587 HydrophobicContact CB-CE2 3.79Å
576	A	96.5	Very high	93.9	Very high	1 Å²	1	34 Å²	34	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.2	168.9	0	0	0	0	0	108.8	F556 E557 T559 F788	F556-A576 WeakPolarHBondContact CB-O 3.33Å; E557-A576 PolarHBondContact N-O 3.05Å; E557-A576 PolarHBondContact O-N 3.1Å; T559-A576 HydrophobicContact CG2-CB 4.15Å; A576-F788 HydrophobicContact CB-CB 4.35Å
577	P	94.5	Very high	94.5	Very high	11 Å²	11	34.9 Å²	34.9	7%	0.071	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-67.4	161.3	-174	-22.1	35.1	0	0	0	114.6	K579 R580	P577-K579 PolarHBondContact O-N 3.45Å; P577-R580 CarbonylContact O-C 3.57Å; P577-R580 PolarHBondContact O-N 2.82Å; P577-R580 VanDerWaalsContact O-N 3.08Å
578	E	91.9	Very high	95	Very high	71 Å²	71	32.4 Å²	32.4	33%	0.332	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	131.7	173.5	178	176.5	148.7	0	0	110.7	R555 R580	R555-E578 HydrophobicContact CB-CG 4.23Å; R555-E578 IonicContact CZ-OE1 3.85Å; R555-E578 IonicContact CZ-OE2 3.54Å; R555-E578 VanDerWaalsContact NE-CD 3.33Å; R555-E578 IonicContact NE-OE1 2.7Å; R555-E578 PolarHBondContact NE-OE1 3.35Å; R555-E578 IonicContact NE-OE2 3.51Å; R555-E578 PolarHBondContact NE-OE2 2.91Å; R555-E578 IonicContact NH2-OE1 2.77Å; R555-E578 PolarHBondContact NH2-OE1 2.92Å; R555-E578 IonicContact NH2-OE2 4Å; R555-E578 PolarHBondContact NH2-OE2 3Å; R555-E578 VanDerWaalsContact O-CA 3.3Å; R555-E578 WeakPolarHBondContact O-CA 3.34Å; R555-E578 WeakPolarHBondContact O-CB 3.39Å; E578-R580 PolarHBondContact O-N 2.81Å
579	K	90.4	Very high	95.3	Very high	146 Å²	146	26.3 Å²	26.3	64%	0.635	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	1.4	179.9	-67.1	163.4	-175.9	176.4	0	116.1	P577 P581	P577-K579 PolarHBondContact O-N 3.45Å; K579-P581 WeakPolarHBondContact O-CD 3.4Å
580	R	94	Very high	95.3	Very high	115 Å²	115	26.3 Å²	26.3	43%	0.434	12%	0.122	S	C	.	.			trans	-124.9	59.7	179.7	-60.3	-176.5	-62.7	140.7	5.8	110.7	P577 E578 G582 E583	P577-R580 CarbonylContact O-C 3.57Å; P577-R580 PolarHBondContact O-N 2.82Å; P577-R580 VanDerWaalsContact O-N 3.08Å; E578-R580 PolarHBondContact O-N 2.81Å; R580-G582 PolarHBondContact O-N 3.29Å; R580-G582 VanDerWaalsContact O-N 3.15Å; R580-E583 HydrophobicContact CB-CG 4Å; R580-E583 WeakPolarHBondContact CD-OE1 3.33Å; R580-E583 IonicContact CZ-OE1 2.7Å; R580-E583 IonicContact CZ-OE2 2.92Å; R580-E583 IonicContact NE-OE1 3.88Å; R580-E583 IonicContact NE-OE2 2.85Å; R580-E583 PolarHBondContact NE-OE2 3.05Å; R580-E583 IonicContact NH1-OE1 2.67Å; R580-E583 PolarHBondContact NH1-OE1 2.8Å; R580-E583 IonicContact NH1-OE2 2.66Å; R580-E583 PolarHBondContact NH1-OE2 2.8Å; R580-E583 IonicContact NH2-OE2 3.32Å; R580-E583 PolarHBondContact NH2-OE2 2.94Å; R580-E583 PolarHBondContact O-N 2.93Å
581	P	94.9	Very high	95	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.026	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.3	-170.6	33.1	-40.1	0	0	0	113.4	K579 E583 R584 Q726 Q756 F788 Q789	K579-P581 WeakPolarHBondContact O-CD 3.4Å; P581-E583 VanDerWaalsContact C-N 3.33Å; P581-R584 PolarHBondContact O-NH1 3.45Å; P581-Q726 HydrophobicContact CG-CG 3.59Å; P581-Q756 VanDerWaalsContact C-NE2 3.32Å; P581-Q756 PolarHBondContact O-NE2 3.38Å; P581-Q756 PolarHBondContact O-OE1 2.82Å; P581-F788 HydrophobicContact CB-CB 4.19Å; P581-F788 WeakPolarHBondContact CB-O 3.38Å; P581-Q789 HydrophobicContact CB-CG 3.58Å; P581-Q789 HydrophobicContact CG-CG 3.64Å
582	G	95.3	Very high	94.4	Very high	7 Å²	7	30.3 Å²	30.3	7%	0.072	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.6	177.4	0	0	0	0	0	115.1	R580 V758 T759 E760	R580-G582 PolarHBondContact O-N 3.29Å; R580-G582 VanDerWaalsContact O-N 3.15Å; G582-V758 WeakPolarHBondContact CA-O 3.47Å; G582-T759 PolarHBondContact O-OG1 3.47Å; G582-E760 PolarHBondContact O-N 2.67Å
583	E	96.4	Very high	93.4	Very high	13 Å²	13	31 Å²	31	6%	0.061	14%	0.142	C	C	.	.			trans	-94.1	158.5	179.2	-58	-176.7	169.3	0	0	112.2	R580 P581 H585 L655 E760	R580-E583 HydrophobicContact CB-CG 4Å; R580-E583 WeakPolarHBondContact CD-OE1 3.33Å; R580-E583 IonicContact CZ-OE1 2.7Å; R580-E583 IonicContact CZ-OE2 2.92Å; R580-E583 IonicContact NE-OE1 3.88Å; R580-E583 IonicContact NE-OE2 2.85Å; R580-E583 PolarHBondContact NE-OE2 3.05Å; R580-E583 IonicContact NH1-OE1 2.67Å; R580-E583 PolarHBondContact NH1-OE1 2.8Å; R580-E583 IonicContact NH1-OE2 2.66Å; R580-E583 PolarHBondContact NH1-OE2 2.8Å; R580-E583 IonicContact NH2-OE2 3.32Å; R580-E583 PolarHBondContact NH2-OE2 2.94Å; R580-E583 PolarHBondContact O-N 2.93Å; P581-E583 VanDerWaalsContact C-N 3.33Å; E583-H585 IonicContact OE2-CD2 3.21Å; E583-H585 IonicContact OE2-NE2 2.69Å; E583-L655 CarbonylContact C-O 3.6Å; E583-L655 WeakPolarHBondContact CA-O 3.19Å; E583-L655 WeakPolarHBondContact CB-O 3.31Å; E583-L655 HydrophobicContact CG-CB 4.06Å; E583-E760 HydrophobicContact CG-CG 4.23Å
584	R	97.1	Very high	92	Very high	20 Å²	20	35.4 Å²	35.4	8%	0.075	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-139.3	118.3	172	-63.4	-64.1	179.9	-76	-1	110.1	M574 P581 L655 F656 N657 F788	M574-R584 HydrophobicContact CE-CB 4.2Å; P581-R584 PolarHBondContact O-NH1 3.45Å; R584-L655 PolarHBondContact N-O 2.79Å; R584-F656 HydrophobicContact CB-CD1 4.37Å; R584-F656 HydrophobicContact CB-CD2 4.35Å; R584-F656 HydrophobicContact CB-CE1 4.41Å; R584-F656 HydrophobicContact CB-CE2 4.41Å; R584-F656 HydrophobicContact CB-CG 4.35Å; R584-F656 HydrophobicContact CB-CZ 4.45Å; R584-F656 HydrophobicContact CG-CD1 4.36Å; R584-F656 HydrophobicContact CG-CD2 3.89Å; R584-F656 HydrophobicContact CG-CE1 4.02Å; R584-F656 HydrophobicContact CG-CE2 3.52Å; R584-F656 HydrophobicContact CG-CG 4.32Å; R584-F656 HydrophobicContact CG-CZ 3.6Å; R584-N657 WeakPolarHBondContact O-CB 3.42Å; R584-N657 PolarHBondContact O-N 3.01Å; R584-N657 PolarHBondContact O-ND2 3.42Å; R584-F788 VanDerWaalsContact NH2-CG 3.31Å
585	H	97.7	Very high	90.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.9	174.8	-65.2	-85.6	0	0	0	111.8	M574 A575 E583 Y587 T612 C654 N657	M574-H585 WeakPolarHBondContact CA-O 3.42Å; A575-H585 PolarHBondContact N-O 2.85Å; A575-H585 PolarHBondContact O-N 3.47Å; A575-H585 VanDerWaalsContact O-N 3.11Å; E583-H585 IonicContact OE2-CD2 3.21Å; E583-H585 IonicContact OE2-NE2 2.69Å; H585-Y587 HydrophobicContact CB-CE2 3.83Å; H585-Y587 WeakPolarHBondContact O-CD2 3.43Å; H585-T612 WeakPolarHBondContact CA-OG1 3.32Å; H585-T612 PolarHBondContact CE1-O 3.27Å; H585-T612 PolarHBondContact ND1-O 2.8Å; H585-C654 PolarHBondContact CE1-O 3.4Å; H585-N657 PolarHBondContact ND1-ND2 2.79Å
586	L	97.9	Very high	88.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136	173.9	-179.9	71.3	0	0	0	110.1	V562 M574 L611 T612 V659 F661 Y668	V562-L586 HydrophobicContact CG2-CD1 4.23Å; M574-L586 HydrophobicContact SD-CB 3.91Å; M574-L586 HydrophobicContact SD-CD1 3.81Å; L586-L611 HydrophobicContact CB-CB 4.31Å; L586-L611 HydrophobicContact CD2-CB 3.93Å; L586-L611 HydrophobicContact CD2-CD1 3.66Å; L586-L611 HydrophobicContact CD2-CG 4.37Å; L586-L611 HydrophobicContact CG-CB 4.17Å; L586-L611 HydrophobicContact CG-CD1 4.04Å; L586-L611 HydrophobicContact CG-CG 4.49Å; L586-L611 PolarHBondContact O-N 3.26Å; L586-T612 HydrophobicContact CB-CG2 3.91Å; L586-T612 PolarHBondContact N-OG1 3.14Å; L586-V659 HydrophobicContact CB-CG2 4.15Å; L586-V659 HydrophobicContact CD1-CB 4.39Å; L586-V659 HydrophobicContact CD1-CG1 4.2Å; L586-V659 HydrophobicContact CD1-CG2 4.39Å; L586-V659 HydrophobicContact CD2-CG1 4.04Å; L586-V659 HydrophobicContact CD2-CG2 4.11Å; L586-V659 HydrophobicContact CG-CG2 4.44Å; L586-F661 HydrophobicContact CD1-CE2 4.11Å; L586-F661 HydrophobicContact CD1-CZ 4.37Å; L586-F661 HydrophobicContact CD2-CE2 4.45Å; L586-F661 HydrophobicContact CD2-CZ 4.06Å; L586-Y668 HydrophobicContact CD2-CE1 4.25Å; L586-Y668 HydrophobicContact CD2-CE2 4Å
587	Y	97.4	Very high	86.5	Confident	30 Å²	30	51 Å²	51	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154	175.3	-67.7	-98.6	0	0	0	111.1	Y572 F573 A575 H585 P608 T609 C610	Y572-Y587 WeakPolarHBondContact CA-O 3.37Å; F573-Y587 HydrophobicContact CE2-CD2 4.33Å; F573-Y587 HydrophobicContact CE2-CG 4.05Å; F573-Y587 HydrophobicContact CZ-CG 4.35Å; F573-Y587 PolarHBondContact N-O 2.77Å; F573-Y587 PolarHBondContact O-N 3.14Å; A575-Y587 HydrophobicContact CB-CD2 3.79Å; A575-Y587 HydrophobicContact CB-CE2 3.79Å; H585-Y587 HydrophobicContact CB-CE2 3.83Å; H585-Y587 WeakPolarHBondContact O-CD2 3.43Å; Y587-P608 HydrophobicContact CD1-CB 3.97Å; Y587-T609 CarbonylContact C-O 3.6Å; Y587-T609 VanDerWaalsContact CA-O 3.29Å; Y587-T609 WeakPolarHBondContact CA-O 3.39Å; Y587-C610 HydrophobicContact CD1-CB 3.84Å; Y587-C610 HydrophobicContact CE1-CB 3.52Å
588	K	96.1	Very high	84.5	Confident	49 Å²	49	52.2 Å²	52.2	21%	0.213	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149	166.3	72.3	-179.5	173	-158.3	0	112.6	I570 V571 Y572 T609 L611	I570-K588 HydrophobicContact CG2-CB 3.84Å; I570-K588 HydrophobicContact CG2-CD 4.23Å; I570-K588 HydrophobicContact CG2-CG 4.5Å; V571-K588 WeakPolarHBondContact O-CA 3.35Å; Y572-K588 HydrophobicContact CD1-CB 3.72Å; Y572-K588 HydrophobicContact CE1-CB 3.75Å; Y572-K588 HydrophobicContact CE1-CD 3.97Å; K588-T609 PolarHBondContact N-O 3.11Å; K588-T609 PolarHBondContact O-N 2.7Å; K588-L611 HydrophobicContact CB-CD1 4.19Å; K588-L611 HydrophobicContact CD-CD1 4.06Å; K588-L611 HydrophobicContact CD-CD2 3.94Å; K588-L611 HydrophobicContact CD-CG 4.47Å; K588-L611 HydrophobicContact CG-CD1 4.19Å; K588-L611 HydrophobicContact CG-CD2 4.03Å; K588-L611 HydrophobicContact CG-CG 4.32Å
589	I	94.9	Very high	82.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.1	163.2	54.5	173.7	0	0	0	109.2	L551 T552 I570 V571 F573 T606 P608	L551-I589 HydrophobicContact CB-CD1 3.66Å; L551-I589 HydrophobicContact CD1-CD1 4.16Å; T552-I589 HydrophobicContact CG2-CD1 4.02Å; T552-I589 HydrophobicContact CG2-CG2 4.3Å; I570-I589 WeakPolarHBondContact CA-O 3.31Å; V571-I589 HydrophobicContact CB-CD1 4.38Å; V571-I589 HydrophobicContact CB-CG1 3.92Å; V571-I589 PolarHBondContact N-O 2.98Å; V571-I589 PolarHBondContact O-N 2.95Å; F573-I589 HydrophobicContact CE1-CD1 4.49Å; F573-I589 HydrophobicContact CE1-CG1 4.17Å; F573-I589 HydrophobicContact CE1-CG2 4.08Å; I589-T606 WeakPolarHBondContact CG2-O 3.48Å; I589-P608 HydrophobicContact CG2-CB 4.25Å; I589-P608 HydrophobicContact CG2-CG 4.04Å
590	S	91.3	Very high	81.2	Confident	45 Å²	45	48.9 Å²	48.9	32%	0.315	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	142	163	-64	0	0	0	0	109.8	E569 S605 T606	E569-S590 CarbonylContact O-C 3.59Å; E569-S590 WeakPolarHBondContact O-CA 3.14Å; S590-S605 VanDerWaalsContact O-CA 3.25Å; S590-S605 WeakPolarHBondContact O-CA 3.28Å; S590-T606 PolarHBondContact N-OG1 2.64Å; S590-T606 PolarHBondContact O-N 2.91Å; S590-T606 VanDerWaalsContact O-N 3.12Å
591	L	86.6	Confident	79.7	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	92.6	-174.1	175.9	62.4	0	0	0	110	L522 F540 L551 W564 E569 V571 L593 I603	L522-L591 HydrophobicContact CD2-CD2 4.25Å; F540-L591 HydrophobicContact CD2-CD2 4.21Å; L551-L591 HydrophobicContact CD1-CD1 3.71Å; L551-L591 HydrophobicContact CD1-CD2 3.7Å; L551-L591 HydrophobicContact CD1-CG 4.28Å; L551-L591 HydrophobicContact CD2-CD1 3.59Å; L551-L591 HydrophobicContact CG-CD1 4.29Å; W564-L591 HydrophobicContact CZ2-CD2 4.11Å; E569-L591 WeakPolarHBondContact CB-O 3.3Å; E569-L591 PolarHBondContact O-N 3.2Å; V571-L591 HydrophobicContact CG2-CB 4.13Å; V571-L591 HydrophobicContact CG2-CD2 3.63Å; L591-L593 HydrophobicContact CD1-CD2 4.42Å; L591-L593 HydrophobicContact CG-CD2 4.39Å; L591-I603 HydrophobicContact CD1-CG2 3.47Å; L591-I603 VanDerWaalsContact CD1-CG2 3.47Å
592	K	81.6	Confident	78.3	Confident	108 Å²	108	51.2 Å²	51.2	47%	0.47	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.9	179.7	-47.3	-159.1	171.7	-167.9	0	111.1	E569 T604	E569-K592 WeakPolarHBondContact OE2-CG 3.33Å; K592-T604 PolarHBondContact N-O 2.68Å; K592-T604 PolarHBondContact O-N 2.83Å; K592-T604 VanDerWaalsContact O-N 3.1Å
593	L	74.6	Confident	77.3	Confident	19 Å²	19	53 Å²	53	10%	0.099	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	86.2	-178.3	-62.2	-177.4	0	0	0	110.4	Y520 F540 W564 L591 V595 T601 I603	Y520-L593 HydrophobicContact CD2-CD1 4.08Å; Y520-L593 HydrophobicContact CE2-CD1 4.14Å; F540-L593 HydrophobicContact CE2-CD1 4.03Å; F540-L593 HydrophobicContact CE2-CD2 3.68Å; F540-L593 HydrophobicContact CZ-CD1 4.28Å; F540-L593 HydrophobicContact CZ-CD2 3.79Å; W564-L593 HydrophobicContact CH2-CD1 4.33Å; W564-L593 HydrophobicContact CZ2-CD1 3.98Å; L591-L593 HydrophobicContact CD1-CD2 4.42Å; L591-L593 HydrophobicContact CG-CD2 4.39Å; L593-V595 PolarHBondContact O-N 2.96Å; L593-T601 HydrophobicContact CB-CG2 4.01Å; L593-T601 HydrophobicContact CD2-CG2 4.09Å; L593-I603 HydrophobicContact CD2-CB 4.48Å; L593-I603 HydrophobicContact CD2-CG1 3.96Å; L593-I603 HydrophobicContact CD2-CG2 4.24Å
594	N	68.5	Low	76.4	Confident	92 Å²	92	56 Å²	56	49%	0.492	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	95.9	-179.2	-68.2	-22.5	0	0	0	110.2	Y602	N594-Y602 PolarHBondContact N-O 2.97Å; N594-Y602 PolarHBondContact O-N 3.49Å
595	V	63.7	Low	75.8	Confident	76 Å²	76	57.5 Å²	57.5	46%	0.461	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	120.9	171.9	-172.9	0	0	0	0	109.4	L593 R600 T601	L593-V595 PolarHBondContact O-N 2.96Å; V595-R600 WeakPolarHBondContact CA-O 3.16Å; V595-T601 HydrophobicContact CG2-CG2 4.21Å
596	T	58.7	Low	75.4	Confident	53 Å²	53	60.5 Å²	60.5	33%	0.325	31%	0.314	S	S	.	.			trans	-76	162.7	174	55.7	0	0	0	0	112.3	S598 N599 R600 Y602	T596-S598 PolarHBondContact O-N 2.81Å; T596-S598 PolarHBondContact OG1-N 2.83Å; T596-S598 PolarHBondContact OG1-OG 2.9Å; T596-N599 PolarHBondContact O-N 3.3Å; T596-R600 PolarHBondContact N-O 3.22Å; T596-R600 PolarHBondContact OG1-N 2.92Å; T596-R600 PolarHBondContact OG1-O 3.4Å; T596-Y602 HydrophobicContact CG2-CD2 3.72Å; T596-Y602 HydrophobicContact CG2-CE2 3.58Å
597	E	51.9	Low	75	Confident	207 Å²	207	64.9 Å²	64.9	97%	0.967	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.1	167.7	-59.4	-179.7	156.5	0	0	112.6	N599	E597-N599 VanDerWaalsContact C-N 3.31Å; E597-N599 PolarHBondContact O-N 2.96Å
598	S	53.4	Low	74.8	Confident	36 Å²	36	65.6 Å²	65.6	25%	0.252	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	23.4	175.8	85.3	0	0	0	0	113.8	E514 T596 R600	E514-S598 WeakPolarHBondContact CG-O 3.33Å; E514-S598 WeakPolarHBondContact OE1-CB 3.05Å; E514-S598 VanDerWaalsContact OE1-O 3.13Å; E514-S598 PolarHBondContact OE1-OG 2.87Å; T596-S598 PolarHBondContact O-N 2.81Å; T596-S598 PolarHBondContact OG1-N 2.83Å; T596-S598 PolarHBondContact OG1-OG 2.9Å; S598-R600 PolarHBondContact O-N 2.92Å; S598-R600 VanDerWaalsContact O-N 3.08Å; S598-R600 PolarHBondContact OG-NE 2.57Å
599	N	55.9	Low	74.8	Confident	71 Å²	71	66.8 Å²	66.8	38%	0.38	37%	0.365	S	S	.	.	S	Bend	trans	54.5	25.3	179.1	-72.6	-66.9	0	0	0	116.2	S516 T596 E597	S516-N599 WeakPolarHBondContact CB-OD1 3.28Å; T596-N599 PolarHBondContact O-N 3.3Å; E597-N599 VanDerWaalsContact C-N 3.31Å; E597-N599 PolarHBondContact O-N 2.96Å
600	R	57	Low	74.8	Confident	76 Å²	76	68.5 Å²	68.5	29%	0.287	38%	0.376	S	S	.	.			trans	-103.8	125.6	176.5	-59.8	-179.6	-143.6	164.3	-174.8	110.7	T512 E514 V595 T596 S598 Y602	T512-R600 PolarHBondContact OG1-NE 2.97Å; T512-R600 PolarHBondContact OG1-NH1 3.13Å; T512-R600 VanDerWaalsContact OG1-NH1 3.14Å; T512-R600 PolarHBondContact OG1-NH2 3.45Å; T512-R600 VanDerWaalsContact OG1-NH2 3.13Å; E514-R600 HydrophobicContact CG-CG 4.15Å; E514-R600 IonicContact OE1-CZ 3.21Å; E514-R600 IonicContact OE1-NE 2.68Å; E514-R600 PolarHBondContact OE1-NE 2.96Å; E514-R600 IonicContact OE1-NH1 2.65Å; E514-R600 PolarHBondContact OE1-NH1 3.01Å; V595-R600 WeakPolarHBondContact CA-O 3.16Å; T596-R600 PolarHBondContact N-O 3.22Å; T596-R600 PolarHBondContact OG1-N 2.92Å; T596-R600 PolarHBondContact OG1-O 3.4Å; S598-R600 PolarHBondContact O-N 2.92Å; S598-R600 VanDerWaalsContact O-N 3.08Å; S598-R600 PolarHBondContact OG-NE 2.57Å; R600-Y602 HydrophobicContact CB-CD2 4.37Å; R600-Y602 HydrophobicContact CB-CE2 3.87Å; R600-Y602 PolarHBondContact O-N 3.19Å
601	T	62.4	Low	75	Confident	41 Å²	41	66.8 Å²	66.8	25%	0.252	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	103.1	178.2	-49.6	0	0	0	0	110.3	Y520 L593 V595	Y520-T601 HydrophobicContact CE1-CG2 4.36Å; Y520-T601 PolarHBondContact OH-OG1 2.83Å; L593-T601 HydrophobicContact CB-CG2 4.01Å; L593-T601 HydrophobicContact CD2-CG2 4.09Å; V595-T601 HydrophobicContact CG2-CG2 4.21Å
602	Y	66.1	Low	75.5	Confident	127 Å²	127	66.9 Å²	66.9	50%	0.498	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125	170.4	-71	-98.6	0	0	0	109.5	N594 T596 R600	N594-Y602 PolarHBondContact N-O 2.97Å; N594-Y602 PolarHBondContact O-N 3.49Å; T596-Y602 HydrophobicContact CG2-CD2 3.72Å; T596-Y602 HydrophobicContact CG2-CE2 3.58Å; R600-Y602 HydrophobicContact CB-CD2 4.37Å; R600-Y602 HydrophobicContact CB-CE2 3.87Å; R600-Y602 PolarHBondContact O-N 3.19Å
603	I	73.4	Confident	76	Confident	45 Å²	45	64.9 Å²	64.9	23%	0.231	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.4	-176.1	-53.9	161.6	0	0	0	108.4	F540 V549 L551 L591 L593	F540-I603 HydrophobicContact CD1-CD1 3.34Å; F540-I603 HydrophobicContact CD1-CG1 4.35Å; F540-I603 HydrophobicContact CE1-CD1 3.5Å; F540-I603 HydrophobicContact CE1-CG1 4.19Å; F540-I603 HydrophobicContact CG-CD1 3.99Å; F540-I603 HydrophobicContact CZ-CD1 4.26Å; V549-I603 HydrophobicContact CB-CD1 4.11Å; V549-I603 HydrophobicContact CG1-CD1 4.1Å; V549-I603 HydrophobicContact CG2-CD1 4.11Å; L551-I603 HydrophobicContact CD2-CG2 3.78Å; L591-I603 HydrophobicContact CD1-CG2 3.47Å; L591-I603 VanDerWaalsContact CD1-CG2 3.47Å; L593-I603 HydrophobicContact CD2-CB 4.48Å; L593-I603 HydrophobicContact CD2-CG1 3.96Å; L593-I603 HydrophobicContact CD2-CG2 4.24Å
604	T	78.1	Confident	76.8	Confident	74 Å²	74	67.6 Å²	67.6	45%	0.454	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.2	168.3	58.5	0	0	0	0	110.3	K592	K592-T604 PolarHBondContact N-O 2.68Å; K592-T604 PolarHBondContact O-N 2.83Å; K592-T604 VanDerWaalsContact O-N 3.1Å
605	S	84.3	Confident	77.8	Confident	53 Å²	53	63.9 Å²	63.9	37%	0.371	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	153.4	172.7	57.6	0	0	0	0	112.4	L551 S590	L551-S605 PolarHBondContact O-OG 2.77Å; S590-S605 VanDerWaalsContact O-CA 3.25Å; S590-S605 WeakPolarHBondContact O-CA 3.28Å
606	T	88.9	Confident	78.8	Confident	66 Å²	66	63.4 Å²	63.4	41%	0.405	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-88.3	165.7	168.4	61.3	0	0	0	0	111.4	I589 S590	I589-T606 WeakPolarHBondContact CG2-O 3.48Å; S590-T606 PolarHBondContact N-OG1 2.64Å; S590-T606 PolarHBondContact O-N 2.91Å; S590-T606 VanDerWaalsContact O-N 3.12Å
607	S	89.1	Confident	79.8	Confident	93 Å²	93	66.1 Å²	66.1	65%	0.65	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-56.6	146	162.3	51.4	0	0	0	0	111.2	T609	S607-T609 PolarHBondContact O-N 2.84Å
608	P	94.3	Very high	81.4	Confident	44 Å²	44	59.2 Å²	59.2	29%	0.286	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-58.8	130.9	173	-27	36.1	0	0	0	113.5	T552 F556 F573 Y587 I589	T552-P608 HydrophobicContact CG2-CG 4.09Å; F556-P608 HydrophobicContact CZ-CG 4.02Å; F573-P608 HydrophobicContact CZ-CB 4.01Å; F573-P608 HydrophobicContact CZ-CG 4.11Å; Y587-P608 HydrophobicContact CD1-CB 3.97Å; I589-P608 HydrophobicContact CG2-CB 4.25Å; I589-P608 HydrophobicContact CG2-CG 4.04Å
609	T	95.4	Very high	83	Confident	74 Å²	74	58 Å²	58	45%	0.454	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.1	171.4	-60.4	0	0	0	0	109	Y587 K588 S607	Y587-T609 CarbonylContact C-O 3.6Å; Y587-T609 VanDerWaalsContact CA-O 3.29Å; Y587-T609 WeakPolarHBondContact CA-O 3.39Å; K588-T609 PolarHBondContact N-O 3.11Å; K588-T609 PolarHBondContact O-N 2.7Å; S607-T609 PolarHBondContact O-N 2.84Å
610	C	96.1	Very high	84.6	Confident	37 Å²	37	55.4 Å²	55.4	25%	0.25	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	139.9	176.3	-166.7	0	0	0	0	111.4	Y587 C613	Y587-C610 HydrophobicContact CD1-CB 3.84Å; Y587-C610 HydrophobicContact CE1-CB 3.52Å; C610-C613 HydrophobicContact CB-CB 3.78Å; C610-C613 WeakPolarHBondContact CB-SG 3.34Å; C610-C613 WeakPolarHBondContact SG-CB 3.37Å; C610-C613 PolarHBondContact SG-N 2.87Å; C610-C613 CovalentContact SG-SG 2.03Å; C610-C613 PolarHBondContact SG-SG 2.91Å
611	L	96.1	Very high	86.1	Confident	10 Å²	10	58 Å²	58	5%	0.052	33%	0.325	C	S	.	.	S	Bend	trans	-109.1	-30.5	-178.1	-62.8	-172.7	0	0	0	113.2	Y572 L586 K588 N688	Y572-L611 HydrophobicContact CD1-CD1 4.17Å; Y572-L611 HydrophobicContact CE1-CD1 4.09Å; L586-L611 HydrophobicContact CB-CB 4.31Å; L586-L611 HydrophobicContact CD2-CB 3.93Å; L586-L611 HydrophobicContact CD2-CD1 3.66Å; L586-L611 HydrophobicContact CD2-CG 4.37Å; L586-L611 HydrophobicContact CG-CB 4.17Å; L586-L611 HydrophobicContact CG-CD1 4.04Å; L586-L611 HydrophobicContact CG-CG 4.49Å; L586-L611 PolarHBondContact O-N 3.26Å; K588-L611 HydrophobicContact CB-CD1 4.19Å; K588-L611 HydrophobicContact CD-CD1 4.06Å; K588-L611 HydrophobicContact CD-CD2 3.94Å; K588-L611 HydrophobicContact CD-CG 4.47Å; K588-L611 HydrophobicContact CG-CD1 4.19Å; K588-L611 HydrophobicContact CG-CD2 4.03Å; K588-L611 HydrophobicContact CG-CG 4.32Å; L611-N688 VanDerWaalsContact CB-OD1 3.3Å; L611-N688 WeakPolarHBondContact CB-OD1 3.16Å; L611-N688 WeakPolarHBondContact CD2-OD1 3.2Å; L611-N688 PolarHBondContact O-ND2 3.28Å
612	T	95.8	Very high	87.2	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	32%	0.319	C	S	.	.	S	Bend	trans	-112.7	19.5	179.8	66	0	0	0	0	113.5	H585 L586 N657 Q670	H585-T612 WeakPolarHBondContact CA-OG1 3.32Å; H585-T612 PolarHBondContact CE1-O 3.27Å; H585-T612 PolarHBondContact ND1-O 2.8Å; L586-T612 HydrophobicContact CB-CG2 3.91Å; L586-T612 PolarHBondContact N-OG1 3.14Å; T612-N657 PolarHBondContact OG1-ND2 3.23Å; T612-Q670 HydrophobicContact CG2-CG 4.18Å
613	C	93.1	Very high	87.6	Confident	67 Å²	67	58.4 Å²	58.4	45%	0.453	33%	0.329	S	S	.	.	S	Bend	trans	-81	-23.8	173.8	-68.6	0	0	0	0	112.7	C610	C610-C613 HydrophobicContact CB-CB 3.78Å; C610-C613 WeakPolarHBondContact CB-SG 3.34Å; C610-C613 WeakPolarHBondContact SG-CB 3.37Å; C610-C613 PolarHBondContact SG-N 2.87Å; C610-C613 CovalentContact SG-SG 2.03Å; C610-C613 PolarHBondContact SG-SG 2.91Å
614	D	90.9	Very high	87.4	Confident	75 Å²	75	64.2 Å²	64.2	40%	0.401	35%	0.348	S	S	.	.			trans	-97.2	137.3	171.1	-164.8	-17.9	0	0	0	109.9	T616 T619	D614-T616 VanDerWaalsContact OD1-CB 3.3Å; D614-T616 WeakPolarHBondContact OD1-CB 3.29Å; D614-T616 VanDerWaalsContact OD1-CG2 3.29Å; D614-T616 WeakPolarHBondContact OD1-CG2 3.29Å; D614-T616 PolarHBondContact OD1-N 2.93Å; D614-T616 PolarHBondContact OD1-OG1 2.58Å; D614-T616 PolarHBondContact OD2-OG1 3.37Å; D614-T619 HydrophobicContact CB-CG2 3.97Å
615	N	88.5	Confident	87.2	Confident	14 Å²	14	61.1 Å²	61.1	8%	0.075	33%	0.33	C	S	.	.			trans	-138.4	17.6	176.8	-169.5	49.7	0	0	0	112.3	Y620 Q629 P651 K652 C654 K690	N615-Y620 PolarHBondContact OD1-OH 2.87Å; N615-Q629 PolarHBondContact O-NE2 3.12Å; N615-P651 PolarHBondContact ND2-O 2.89Å; N615-K652 PolarHBondContact ND2-O 3.12Å; N615-C654 HydrophobicContact CB-CB 4.19Å; N615-K690 PolarHBondContact OD1-NZ 3.38Å
616	T	85.5	Confident	86.8	Confident	67 Å²	67	62.7 Å²	62.7	41%	0.411	33%	0.328	S	S	.	.	S	Bend	trans	-69.6	164.8	176.5	59.6	0	0	0	0	112.3	D614 S618 T619 Y620	D614-T616 VanDerWaalsContact OD1-CB 3.3Å; D614-T616 WeakPolarHBondContact OD1-CB 3.29Å; D614-T616 VanDerWaalsContact OD1-CG2 3.29Å; D614-T616 WeakPolarHBondContact OD1-CG2 3.29Å; D614-T616 PolarHBondContact OD1-N 2.93Å; D614-T616 PolarHBondContact OD1-OG1 2.58Å; D614-T616 PolarHBondContact OD2-OG1 3.37Å; T616-S618 PolarHBondContact O-N 2.92Å; T616-S618 PolarHBondContact OG1-OG 2.65Å; T616-T619 PolarHBondContact O-N 3.45Å; T616-T619 PolarHBondContact O-OG1 2.81Å; T616-Y620 WeakPolarHBondContact O-CD2 3.13Å; T616-Y620 WeakPolarHBondContact O-CE2 3.42Å
617	E	80.5	Confident	86.2	Confident	109 Å²	109	60.5 Å²	60.5	51%	0.509	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-50.5	-29	172.9	-179.8	175.5	-162.2	0	0	112.5	T619 Y620 I627 R640	E617-T619 PolarHBondContact O-N 3.25Å; E617-T619 VanDerWaalsContact O-N 3.1Å; E617-Y620 PolarHBondContact O-N 3.32Å; E617-I627 HydrophobicContact CB-CD1 3.98Å; E617-I627 HydrophobicContact CG-CD1 3.91Å; E617-I627 HydrophobicContact CG-CG1 4.38Å; E617-R640 IonicContact OE1-NH1 3.43Å; E617-R640 PolarHBondContact OE1-NH1 3.39Å; E617-R640 IonicContact OE2-NH1 2.77Å
618	S	84.6	Confident	85.4	Confident	63 Å²	63	57 Å²	57	44%	0.441	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-56.7	-26.8	176.4	79.7	0	0	0	0	114	T616 Y620 R621	T616-S618 PolarHBondContact O-N 2.92Å; T616-S618 PolarHBondContact OG1-OG 2.65Å; S618-Y620 VanDerWaalsContact C-N 3.34Å; S618-Y620 PolarHBondContact O-N 3.49Å; S618-R621 PolarHBondContact O-NH1 3.22Å; S618-R621 PolarHBondContact O-NH2 3.14Å
619	T	87.9	Confident	84.1	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.3	7.1	-177.2	64.7	0	0	0	0	114.7	D614 T616 E617 K690	D614-T619 HydrophobicContact CB-CG2 3.97Å; T616-T619 PolarHBondContact O-N 3.45Å; T616-T619 PolarHBondContact O-OG1 2.81Å; E617-T619 PolarHBondContact O-N 3.25Å; E617-T619 VanDerWaalsContact O-N 3.1Å; T619-K690 WeakPolarHBondContact O-CB 3.42Å; T619-K690 PolarHBondContact O-N 3.18Å; T619-K690 PolarHBondContact OG1-NZ 3Å
620	Y	88.6	Confident	82.4	Confident	16 Å²	16	61.9 Å²	61.9	6%	0.063	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-116.9	134.4	-175	-66.1	-99.4	0	0	0	112.3	N615 T616 E617 S618 L622 I627 I650 Y681 K690	N615-Y620 PolarHBondContact OD1-OH 2.87Å; T616-Y620 WeakPolarHBondContact O-CD2 3.13Å; T616-Y620 WeakPolarHBondContact O-CE2 3.42Å; E617-Y620 PolarHBondContact O-N 3.32Å; S618-Y620 VanDerWaalsContact C-N 3.34Å; S618-Y620 PolarHBondContact O-N 3.49Å; Y620-L622 HydrophobicContact CD1-CD1 4.38Å; Y620-L622 HydrophobicContact CD1-CG 4.44Å; Y620-I627 HydrophobicContact CD1-CD1 4.19Å; Y620-I627 HydrophobicContact CD1-CG2 4.17Å; Y620-I627 HydrophobicContact CD2-CD1 3.46Å; Y620-I627 VanDerWaalsContact CD2-CD1 3.46Å; Y620-I627 HydrophobicContact CE1-CG2 4.38Å; Y620-I627 HydrophobicContact CE2-CD1 3.94Å; Y620-I627 HydrophobicContact CG-CD1 3.61Å; Y620-I650 HydrophobicContact CD2-CD1 4.46Å; Y620-I650 HydrophobicContact CE1-CD1 4.16Å; Y620-I650 HydrophobicContact CE2-CD1 3.64Å; Y620-I650 VanDerWaalsContact CZ-CD1 3.47Å; Y620-I650 WeakPolarHBondContact OH-CD1 2.96Å; Y620-Y681 HydrophobicContact CE1-CD1 4.33Å; Y620-Y681 HydrophobicContact CE1-CE1 4.04Å; Y620-K690 HydrophobicContact CD1-CB 3.9Å; Y620-K690 HydrophobicContact CD1-CD 3.8Å; Y620-K690 HydrophobicContact CD2-CD 4.21Å; Y620-K690 HydrophobicContact CE1-CB 4.21Å; Y620-K690 HydrophobicContact CE1-CD 3.38Å; Y620-K690 HydrophobicContact CE1-CG 4.41Å; Y620-K690 HydrophobicContact CE2-CD 3.85Å; Y620-K690 HydrophobicContact CG-CB 4.39Å; Y620-K690 HydrophobicContact CG-CD 4.19Å; Y620-K690 PolarHBondContact OH-NZ 3.33Å
621	R	88.9	Confident	80.5	Confident	131 Å²	131	63.8 Å²	63.8	49%	0.494	32%	0.32	S	S	.	.			trans	-133.9	54.1	176.2	-58.8	-66.3	175.9	-93	-21.8	110.8	S618 D689 K690	S618-R621 PolarHBondContact O-NH1 3.22Å; S618-R621 PolarHBondContact O-NH2 3.14Å; R621-D689 HydrophobicContact CB-CB 4.23Å; R621-D689 HydrophobicContact CG-CB 3.48Å; R621-D689 VanDerWaalsContact CG-CB 3.48Å; R621-D689 WeakPolarHBondContact CG-OD2 3.42Å; R621-D689 IonicContact CZ-OD1 2.77Å; R621-D689 VanDerWaalsContact CZ-OD1 3.26Å; R621-D689 IonicContact CZ-OD2 2.7Å; R621-D689 VanDerWaalsContact CZ-OD2 3.25Å; R621-D689 IonicContact NE-OD1 3.15Å; R621-D689 IonicContact NE-OD2 2.7Å; R621-D689 PolarHBondContact NE-OD2 3.02Å; R621-D689 IonicContact NH1-OD1 3.48Å; R621-D689 VanDerWaalsContact NH2-CG 3.26Å; R621-D689 IonicContact NH2-OD1 2.94Å; R621-D689 PolarHBondContact NH2-OD1 3.28Å; R621-D689 IonicContact NH2-OD2 3.35Å; R621-D689 PolarHBondContact NH2-OD2 2.88Å; R621-K690 PolarHBondContact N-O 2.84Å
622	L	84.5	Confident	79	Confident	25 Å²	25	67 Å²	67	13%	0.131	34%	0.337	C	S	.	.			trans	-77.5	131	-175.5	-51.9	-179.7	0	0	0	111.6	Y620 A625 I627 Y648 K690 V693	Y620-L622 HydrophobicContact CD1-CD1 4.38Å; Y620-L622 HydrophobicContact CD1-CG 4.44Å; L622-A625 HydrophobicContact CB-CB 3.91Å; L622-A625 HydrophobicContact CD1-CB 4.08Å; L622-I627 HydrophobicContact CD1-CG2 3.92Å; L622-Y648 HydrophobicContact CD1-CD2 4.47Å; L622-K690 WeakPolarHBondContact CD2-O 3.34Å; L622-V693 HydrophobicContact CD1-CG2 3.73Å; L622-V693 HydrophobicContact CD2-CG2 3.93Å
623	H	75.1	Confident	77.5	Confident	151 Å²	151	74 Å²	74	70%	0.699	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	124.1	174.1	-171.5	-63.5	0	0	0	110.5	A625	H623-A625 VanDerWaalsContact C-N 3.26Å; H623-A625 PolarHBondContact O-N 2.94Å
624	R	70.1	Confident	76.1	Confident	167 Å²	167	79.3 Å²	79.3	63%	0.63	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.1	-174.4	-70.6	-179.9	-178.6	167.6	-2	114.6	D645 C646	R624-D645 WeakPolarHBondContact CA-OD1 3.36Å; R624-C646 PolarHBondContact O-N 3.07Å; R624-C646 VanDerWaalsContact O-N 3.17Å
625	A	72.5	Confident	74.9	Confident	10 Å²	10	81.3 Å²	81.3	8%	0.083	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.4	168.8	0	0	0	0	0	111.4	L622 H623 D645 C646 Y648	L622-A625 HydrophobicContact CB-CB 3.91Å; L622-A625 HydrophobicContact CD1-CB 4.08Å; H623-A625 VanDerWaalsContact C-N 3.26Å; H623-A625 PolarHBondContact O-N 2.94Å; A625-D645 PolarHBondContact N-OD1 2.94Å; A625-C646 CarbonylContact C-O 3.6Å; A625-C646 WeakPolarHBondContact CA-O 3.46Å; A625-C646 HydrophobicContact CB-CB 4.1Å; A625-C646 VanDerWaalsContact CB-O 3.27Å; A625-C646 WeakPolarHBondContact CB-O 3.45Å; A625-Y648 HydrophobicContact CB-CD2 4.17Å; A625-Y648 HydrophobicContact CB-CE2 3.89Å
626	R	77.3	Confident	73.8	Confident	85 Å²	85	84.6 Å²	84.6	32%	0.321	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161.6	172.4	-56.7	-62.3	171	-106.5	-11.2	109.1	R640 L641 D645 C646 L647 Y648	R626-R640 PolarHBondContact NE-O 3.32Å; R626-L641 HydrophobicContact CB-CD2 4.1Å; R626-L641 HydrophobicContact CG-CD2 3.77Å; R626-D645 HydrophobicContact CG-CB 4.26Å; R626-D645 IonicContact CZ-OD1 2.72Å; R626-D645 IonicContact CZ-OD2 2.84Å; R626-D645 IonicContact NE-OD1 2.69Å; R626-D645 IonicContact NE-OD2 2.8Å; R626-D645 PolarHBondContact NE-OD2 2.65Å; R626-D645 IonicContact NH1-OD1 3.73Å; R626-D645 VanDerWaalsContact NH2-CG 3.34Å; R626-D645 IonicContact NH2-OD1 3.31Å; R626-D645 PolarHBondContact NH2-OD1 2.85Å; R626-D645 IonicContact NH2-OD2 3.2Å; R626-D645 PolarHBondContact NH2-OD2 3.03Å; R626-C646 PolarHBondContact N-O 2.96Å; R626-L647 HydrophobicContact CB-CD1 3.89Å; R626-Y648 PolarHBondContact O-N 3.07Å
627	I	75.7	Confident	72.9	Confident	21 Å²	21	81.9 Å²	81.9	11%	0.108	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.7	174	46	166.4	0	0	0	109.9	E617 Y620 L622 Y648 I650	E617-I627 HydrophobicContact CB-CD1 3.98Å; E617-I627 HydrophobicContact CG-CD1 3.91Å; E617-I627 HydrophobicContact CG-CG1 4.38Å; Y620-I627 HydrophobicContact CD1-CD1 4.19Å; Y620-I627 HydrophobicContact CD1-CG2 4.17Å; Y620-I627 HydrophobicContact CD2-CD1 3.46Å; Y620-I627 VanDerWaalsContact CD2-CD1 3.46Å; Y620-I627 HydrophobicContact CE1-CG2 4.38Å; Y620-I627 HydrophobicContact CE2-CD1 3.94Å; Y620-I627 HydrophobicContact CG-CD1 3.61Å; L622-I627 HydrophobicContact CD1-CG2 3.92Å; I627-Y648 CarbonylContact C-O 3.56Å; I627-Y648 WeakPolarHBondContact CA-O 3.29Å; I627-I650 HydrophobicContact CB-CD1 3.95Å; I627-I650 HydrophobicContact CB-CG1 4.17Å; I627-I650 HydrophobicContact CD1-CD1 3.63Å; I627-I650 HydrophobicContact CG1-CD1 4.38Å; I627-I650 HydrophobicContact CG2-CD1 4.1Å; I627-I650 HydrophobicContact CG2-CG1 4.35Å; I627-I650 HydrophobicContact CG2-CG2 3.9Å
628	S	71.9	Confident	72.2	Confident	19 Å²	19	80.2 Å²	80.2	13%	0.133	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.8	166.7	-170.2	0	0	0	0	108	I637 Y648 I650	S628-I637 VanDerWaalsContact OG-CD1 3.27Å; S628-I637 WeakPolarHBondContact OG-CD1 3.33Å; S628-Y648 PolarHBondContact N-O 3.29Å; S628-I650 WeakPolarHBondContact O-CG1 3.46Å; S628-I650 PolarHBondContact O-N 2.92Å
629	Q	67.4	Low	71.2	Confident	34 Å²	34	81.3 Å²	81.3	16%	0.159	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	151.1	163.4	-61.9	-159.1	-10.9	0	0	110.3	N615 G631 D632 I650	N615-Q629 PolarHBondContact O-NE2 3.12Å; Q629-G631 PolarHBondContact O-N 3.27Å; Q629-D632 PolarHBondContact N-OD2 3.44Å; Q629-D632 PolarHBondContact O-N 3.22Å; Q629-D632 VanDerWaalsContact O-N 3.16Å; Q629-I650 HydrophobicContact CG-CD1 4.15Å; Q629-I650 HydrophobicContact CG-CG1 4.03Å
630	R	59	Low	70.1	Confident	187 Å²	187	86.6 Å²	86.6	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	97.9	179.6	-173.8	176.8	176.3	-175.6	-2.2	111.1
631	G	57.4	Low	69.1	Low	76 Å²	76	88.6 Å²	88.6	78%	0.784	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.6	-15.5	-178.4	0	0	0	0	0	113.8	Q629	Q629-G631 PolarHBondContact O-N 3.27Å
632	D	62.9	Low	68.3	Low	77 Å²	77	88.7 Å²	88.7	41%	0.412	43%	0.428	S	S	.	.			trans	-64.9	145.5	177.9	-62.3	-22.9	0	0	0	112	Q629 I637	Q629-D632 PolarHBondContact N-OD2 3.44Å; Q629-D632 PolarHBondContact O-N 3.22Å; Q629-D632 VanDerWaalsContact O-N 3.16Å; D632-I637 HydrophobicContact CB-CD1 3.96Å; D632-I637 HydrophobicContact CB-CG1 4.24Å
633	R	64.9	Low	67.2	Low	151 Å²	151	94 Å²	94	57%	0.57	46%	0.464	S	S	*	.			trans	-74.6	130.1	172.5	-65.7	174.7	69.2	156.4	-1.1	109.5	E635 D636 I637	R633-E635 IonicContact CZ-OE2 3.69Å; R633-E635 IonicContact NE-OE2 3.07Å; R633-E635 PolarHBondContact NE-OE2 2.87Å; R633-E635 IonicContact NH2-OE1 3.91Å; R633-E635 IonicContact NH2-OE2 3.58Å; R633-E635 PolarHBondContact NH2-OE2 3Å; R633-E635 PolarHBondContact O-N 3.17Å; R633-E635 VanDerWaalsContact O-N 3.15Å; R633-D636 HydrophobicContact CB-CB 4.4Å; R633-D636 WeakPolarHBondContact CB-OD2 3.47Å; R633-D636 PolarHBondContact O-N 3.43Å; R633-I637 PolarHBondContact O-N 3.43Å
634	W	64.4	Low	66.8	Low	177 Å²	177	93.1 Å²	93.1	67%	0.67	46%	0.464	S	S	*	.	H	α-helix	trans	-52.5	-36.5	175.2	-177.9	-110.3	0	0	0	113.2	D636 I637 V638 L647	W634-D636 PolarHBondContact O-N 3.35Å; W634-I637 HydrophobicContact CE3-CD1 4.47Å; W634-I637 PolarHBondContact O-N 3Å; W634-V638 HydrophobicContact CD2-CG2 4.04Å; W634-V638 HydrophobicContact CG-CG2 4.37Å; W634-V638 HydrophobicContact CH2-CG2 4.49Å; W634-V638 HydrophobicContact CZ2-CG2 3.8Å; W634-V638 WeakPolarHBondContact O-CG2 3.31Å; W634-V638 PolarHBondContact O-N 3.5Å; W634-L647 HydrophobicContact CZ3-CD2 4.26Å
635	E	65.3	Low	66.9	Low	117 Å²	117	86.1 Å²	86.1	55%	0.547	44%	0.439	S	S	.	.	H	α-helix	trans	-60.4	-44.1	176.8	-60.9	157.9	130.4	0	0	112.2	R633 I637 V638 A639	R633-E635 IonicContact CZ-OE2 3.69Å; R633-E635 IonicContact NE-OE2 3.07Å; R633-E635 PolarHBondContact NE-OE2 2.87Å; R633-E635 IonicContact NH2-OE1 3.91Å; R633-E635 IonicContact NH2-OE2 3.58Å; R633-E635 PolarHBondContact NH2-OE2 3Å; R633-E635 PolarHBondContact O-N 3.17Å; R633-E635 VanDerWaalsContact O-N 3.15Å; E635-I637 VanDerWaalsContact C-N 3.27Å; E635-I637 PolarHBondContact O-N 3.47Å; E635-V638 PolarHBondContact O-N 3.41Å; E635-A639 WeakPolarHBondContact O-CB 3.42Å; E635-A639 PolarHBondContact O-N 3.06Å
636	D	65.3	Low	66.9	Low	83 Å²	83	88.7 Å²	88.7	44%	0.444	46%	0.456	S	S	.	.	H	α-helix	trans	-73.8	-19.2	-179.5	-62.4	-35.4	0	0	0	112.5	R633 W634 R640	R633-D636 HydrophobicContact CB-CB 4.4Å; R633-D636 WeakPolarHBondContact CB-OD2 3.47Å; R633-D636 PolarHBondContact O-N 3.43Å; W634-D636 PolarHBondContact O-N 3.35Å; D636-R640 PolarHBondContact O-NE 3.24Å; D636-R640 PolarHBondContact O-NH2 2.89Å
637	I	65.7	Low	67	Low	10 Å²	10	87.6 Å²	87.6	5%	0.051	46%	0.457	C	S	.	.	H	α-helix	trans	-81.5	-51.4	172.5	-60.2	167.8	0	0	0	109.7	S628 D632 R633 W634 E635 A639 R640 L641 L647	S628-I637 VanDerWaalsContact OG-CD1 3.27Å; S628-I637 WeakPolarHBondContact OG-CD1 3.33Å; D632-I637 HydrophobicContact CB-CD1 3.96Å; D632-I637 HydrophobicContact CB-CG1 4.24Å; R633-I637 PolarHBondContact O-N 3.43Å; W634-I637 HydrophobicContact CE3-CD1 4.47Å; W634-I637 PolarHBondContact O-N 3Å; E635-I637 VanDerWaalsContact C-N 3.27Å; E635-I637 PolarHBondContact O-N 3.47Å; I637-A639 PolarHBondContact O-N 3.14Å; I637-R640 WeakPolarHBondContact O-CA 3.5Å; I637-R640 PolarHBondContact O-N 3.08Å; I637-L641 HydrophobicContact CG2-CD1 3.96Å; I637-L641 HydrophobicContact CG2-CG 4.37Å; I637-L641 PolarHBondContact O-N 2.83Å; I637-L647 HydrophobicContact CG2-CD1 3.86Å; I637-L647 HydrophobicContact CG2-CD2 3.8Å
638	V	66.4	Low	67.2	Low	74 Å²	74	89.5 Å²	89.5	45%	0.448	46%	0.463	S	S	.	.	H	α-helix	trans	-62	-32.3	-178.7	172.6	0	0	0	0	111.8	W634 E635 R640	W634-V638 HydrophobicContact CD2-CG2 4.04Å; W634-V638 HydrophobicContact CG-CG2 4.37Å; W634-V638 HydrophobicContact CH2-CG2 4.49Å; W634-V638 HydrophobicContact CZ2-CG2 3.8Å; W634-V638 WeakPolarHBondContact O-CG2 3.31Å; W634-V638 PolarHBondContact O-N 3.5Å; E635-V638 PolarHBondContact O-N 3.41Å; V638-R640 PolarHBondContact O-N 3.33Å
639	A	63.4	Low	67.5	Low	86 Å²	86	91.4 Å²	91.4	71%	0.711	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-9.7	172.6	0	0	0	0	0	114.9	E635 I637	E635-A639 WeakPolarHBondContact O-CB 3.42Å; E635-A639 PolarHBondContact O-N 3.06Å; I637-A639 PolarHBondContact O-N 3.14Å
640	R	66.3	Low	68.2	Low	122 Å²	122	89.9 Å²	89.9	46%	0.46	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	4.7	-176.5	-71.8	-174.3	-79.6	165.2	-6.6	114.6	E617 R626 D636 I637 V638	E617-R640 IonicContact OE1-NH1 3.43Å; E617-R640 PolarHBondContact OE1-NH1 3.39Å; E617-R640 IonicContact OE2-NH1 2.77Å; R626-R640 PolarHBondContact NE-O 3.32Å; D636-R640 PolarHBondContact O-NE 3.24Å; D636-R640 PolarHBondContact O-NH2 2.89Å; I637-R640 WeakPolarHBondContact O-CA 3.5Å; I637-R640 PolarHBondContact O-N 3.08Å; V638-R640 PolarHBondContact O-N 3.33Å
641	L	66.5	Low	69.4	Low	57 Å²	57	81 Å²	81	30%	0.298	43%	0.431	S	S	.	.			trans	-97	127.6	-178.7	-78.1	168.7	0	0	0	112.2	R626 I637 D645 L647	R626-L641 HydrophobicContact CB-CD2 4.1Å; R626-L641 HydrophobicContact CG-CD2 3.77Å; I637-L641 HydrophobicContact CG2-CD1 3.96Å; I637-L641 HydrophobicContact CG2-CG 4.37Å; I637-L641 PolarHBondContact O-N 2.83Å; L641-D645 HydrophobicContact CD2-CB 3.8Å; L641-L647 HydrophobicContact CD2-CB 4.39Å
642	E	71.3	Confident	70.5	Confident	133 Å²	133	82.9 Å²	82.9	62%	0.621	42%	0.418	S	S	*	.			trans	-84.3	158.6	162.7	-64.5	-168.9	165.3	0	0	110.9	D644 D645	E642-D644 PolarHBondContact O-N 2.64Å; E642-D645 PolarHBondContact N-OD2 2.7Å; E642-D645 PolarHBondContact O-N 3.22Å; E642-D645 VanDerWaalsContact O-N 3.07Å
643	P	63.3	Low	71.7	Confident	138 Å²	138	83.2 Å²	83.2	90%	0.896	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.4	-173.2	-26.8	36.3	0	0	0	116.3
644	D	66.6	Low	73	Confident	131 Å²	131	76.3 Å²	76.3	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	5.2	-179.8	-65.9	-33.3	0	0	0	113.2	E642	E642-D644 PolarHBondContact O-N 2.64Å
645	D	71.3	Confident	74.5	Confident	20 Å²	20	69.9 Å²	69.9	11%	0.107	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-76.2	125	-179.8	-87.9	-40.3	0	0	0	112.1	R624 A625 R626 L641 E642	R624-D645 WeakPolarHBondContact CA-OD1 3.36Å; A625-D645 PolarHBondContact N-OD1 2.94Å; R626-D645 HydrophobicContact CG-CB 4.26Å; R626-D645 IonicContact CZ-OD1 2.72Å; R626-D645 IonicContact CZ-OD2 2.84Å; R626-D645 IonicContact NE-OD1 2.69Å; R626-D645 IonicContact NE-OD2 2.8Å; R626-D645 PolarHBondContact NE-OD2 2.65Å; R626-D645 IonicContact NH1-OD1 3.73Å; R626-D645 VanDerWaalsContact NH2-CG 3.34Å; R626-D645 IonicContact NH2-OD1 3.31Å; R626-D645 PolarHBondContact NH2-OD1 2.85Å; R626-D645 IonicContact NH2-OD2 3.2Å; R626-D645 PolarHBondContact NH2-OD2 3.03Å; L641-D645 HydrophobicContact CD2-CB 3.8Å; E642-D645 PolarHBondContact N-OD2 2.7Å; E642-D645 PolarHBondContact O-N 3.22Å; E642-D645 VanDerWaalsContact O-N 3.07Å
646	C	73.1	Confident	76	Confident	64 Å²	64	65.5 Å²	65.5	43%	0.432	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127	167.1	-72.2	0	0	0	0	111	R624 A625 R626 Y648	R624-C646 PolarHBondContact O-N 3.07Å; R624-C646 VanDerWaalsContact O-N 3.17Å; A625-C646 CarbonylContact C-O 3.6Å; A625-C646 WeakPolarHBondContact CA-O 3.46Å; A625-C646 HydrophobicContact CB-CB 4.1Å; A625-C646 VanDerWaalsContact CB-O 3.27Å; A625-C646 WeakPolarHBondContact CB-O 3.45Å; R626-C646 PolarHBondContact N-O 2.96Å; C646-Y648 HydrophobicContact CB-CE2 3.91Å
647	L	78.8	Confident	77.5	Confident	63 Å²	63	61.8 Å²	61.8	33%	0.33	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.3	172.1	-175	69.1	0	0	0	110.9	R626 W634 I637 L641	R626-L647 HydrophobicContact CB-CD1 3.89Å; W634-L647 HydrophobicContact CZ3-CD2 4.26Å; I637-L647 HydrophobicContact CG2-CD1 3.86Å; I637-L647 HydrophobicContact CG2-CD2 3.8Å; L641-L647 HydrophobicContact CD2-CB 4.39Å
648	Y	80.6	Confident	79	Confident	61 Å²	61	66.3 Å²	66.3	24%	0.239	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.9	174.9	-63.5	-73.2	0	0	0	111.9	L622 A625 R626 I627 S628 C646 V693 A696	L622-Y648 HydrophobicContact CD1-CD2 4.47Å; A625-Y648 HydrophobicContact CB-CD2 4.17Å; A625-Y648 HydrophobicContact CB-CE2 3.89Å; R626-Y648 PolarHBondContact O-N 3.07Å; I627-Y648 CarbonylContact C-O 3.56Å; I627-Y648 WeakPolarHBondContact CA-O 3.29Å; S628-Y648 PolarHBondContact N-O 3.29Å; C646-Y648 HydrophobicContact CB-CE2 3.91Å; Y648-V693 HydrophobicContact CD1-CG1 4.46Å; Y648-V693 HydrophobicContact CD2-CB 4.45Å; Y648-V693 HydrophobicContact CD2-CG2 4.11Å; Y648-V693 HydrophobicContact CE2-CB 4.3Å; Y648-V693 HydrophobicContact CE2-CG2 4.3Å; Y648-A696 HydrophobicContact CD1-CB 3.65Å; Y648-A696 HydrophobicContact CE1-CB 4.41Å; Y648-A696 HydrophobicContact CG-CB 4.3Å
649	D	78.3	Confident	80.4	Confident	59 Å²	59	63.5 Å²	63.5	32%	0.316	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.3	168.1	-178.9	26	0	0	0	108.6	R701	D649-R701 PolarHBondContact O-NH1 3.17Å; D649-R701 WeakPolarHBondContact OD2-CD 3.28Å; D649-R701 IonicContact OD2-NE 3.55Å
650	I	81.1	Confident	81.9	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144.5	-175.1	54.9	162.7	0	0	0	111.7	Y620 I627 S628 Q629 K652 Y681	Y620-I650 HydrophobicContact CD2-CD1 4.46Å; Y620-I650 HydrophobicContact CE1-CD1 4.16Å; Y620-I650 HydrophobicContact CE2-CD1 3.64Å; Y620-I650 VanDerWaalsContact CZ-CD1 3.47Å; Y620-I650 WeakPolarHBondContact OH-CD1 2.96Å; I627-I650 HydrophobicContact CB-CD1 3.95Å; I627-I650 HydrophobicContact CB-CG1 4.17Å; I627-I650 HydrophobicContact CD1-CD1 3.63Å; I627-I650 HydrophobicContact CG1-CD1 4.38Å; I627-I650 HydrophobicContact CG2-CD1 4.1Å; I627-I650 HydrophobicContact CG2-CG1 4.35Å; I627-I650 HydrophobicContact CG2-CG2 3.9Å; S628-I650 WeakPolarHBondContact O-CG1 3.46Å; S628-I650 PolarHBondContact O-N 2.92Å; Q629-I650 HydrophobicContact CG-CD1 4.15Å; Q629-I650 HydrophobicContact CG-CG1 4.03Å; I650-K652 PolarHBondContact O-N 3.36Å; I650-Y681 HydrophobicContact CG2-CE1 4.32Å
651	P	84.2	Confident	83.2	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	30%	0.295	C	S	.	.			trans	-58.8	136.8	171.4	27.4	-35.2	0	0	0	109.5	N615 E676 S679 Y681	N615-P651 PolarHBondContact ND2-O 2.89Å; P651-E676 HydrophobicContact CB-CB 3.64Å; P651-E676 HydrophobicContact CB-CG 4.47Å; P651-S679 WeakPolarHBondContact CD-OG 3.34Å; P651-Y681 WeakPolarHBondContact CD-OH 3.34Å
652	K	81.6	Confident	84.5	Confident	116 Å²	116	55.3 Å²	55.3	50%	0.504	28%	0.282	S	S	.	.	S	Bend	trans	-77.7	-47.5	178.9	-177.1	171.9	-175.7	170.4	0	110.4	N615 I650 E676	N615-K652 PolarHBondContact ND2-O 3.12Å; I650-K652 PolarHBondContact O-N 3.36Å; K652-E676 WeakPolarHBondContact CA-OE1 3.27Å; K652-E676 WeakPolarHBondContact CB-OE1 3.15Å; K652-E676 PolarHBondContact N-OE1 3.38Å
653	N	86.8	Confident	85.3	Confident	84 Å²	84	55.1 Å²	55.1	45%	0.449	28%	0.281	S	S	.	.			trans	-97.4	124.2	178.8	-66.7	-13.6	0	0	0	110.8	P675 E676	N653-P675 HydrophobicContact CB-CG 4.2Å; N653-E676 PolarHBondContact N-OE1 2.87Å
654	C	93.4	Very high	86.5	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.041	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-127.9	69.5	-179.9	-165.3	0	0	0	0	111.4	H585 N615 N657 C672 G674	H585-C654 PolarHBondContact CE1-O 3.4Å; N615-C654 HydrophobicContact CB-CB 4.19Å; C654-N657 PolarHBondContact O-ND2 3.37Å; C654-N657 PolarHBondContact SG-OD1 3.32Å; C654-N657 VanDerWaalsContact SG-OD1 3.35Å; C654-C672 VanDerWaalsContact CA-SG 3.53Å; C654-C672 HydrophobicContact CB-CB 4.41Å; C654-C672 WeakPolarHBondContact CB-SG 3.48Å; C654-C672 VanDerWaalsContact SG-CA 3.5Å; C654-C672 WeakPolarHBondContact SG-CB 3.42Å; C654-C672 CovalentContact SG-SG 2.03Å; C654-C672 PolarHBondContact SG-SG 3.36Å; C654-G674 CarbonylContact C-O 3.57Å
655	L	95.8	Very high	87.8	Confident	42 Å²	42	47.8 Å²	47.8	22%	0.22	23%	0.231	C	C	.	.			trans	-90.7	-18.3	-170.2	-52.9	179.1	0	0	0	113.5	E583 R584 G674 P675 E760	E583-L655 CarbonylContact C-O 3.6Å; E583-L655 WeakPolarHBondContact CA-O 3.19Å; E583-L655 WeakPolarHBondContact CB-O 3.31Å; E583-L655 HydrophobicContact CG-CB 4.06Å; R584-L655 PolarHBondContact N-O 2.79Å; L655-G674 PolarHBondContact N-O 3.37Å; L655-P675 HydrophobicContact CD1-CG 4.35Å; L655-E760 HydrophobicContact CB-CB 3.96Å; L655-E760 HydrophobicContact CB-CG 4.38Å; L655-E760 HydrophobicContact CD1-CB 4.47Å; L655-E760 HydrophobicContact CD1-CG 4.15Å
656	F	97	Very high	88.9	Confident	25 Å²	25	48.7 Å²	48.7	11%	0.11	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-116.7	110.4	172.9	-158.5	-70.5	0	0	0	110.2	R584 L673 G674 T759 R761	R584-F656 HydrophobicContact CB-CD1 4.37Å; R584-F656 HydrophobicContact CB-CD2 4.35Å; R584-F656 HydrophobicContact CB-CE1 4.41Å; R584-F656 HydrophobicContact CB-CE2 4.41Å; R584-F656 HydrophobicContact CB-CG 4.35Å; R584-F656 HydrophobicContact CB-CZ 4.45Å; R584-F656 HydrophobicContact CG-CD1 4.36Å; R584-F656 HydrophobicContact CG-CD2 3.89Å; R584-F656 HydrophobicContact CG-CE1 4.02Å; R584-F656 HydrophobicContact CG-CE2 3.52Å; R584-F656 HydrophobicContact CG-CG 4.32Å; R584-F656 HydrophobicContact CG-CZ 3.6Å; F656-L673 HydrophobicContact CD1-CB 4.04Å; F656-L673 HydrophobicContact CD1-CD1 4.35Å; F656-L673 HydrophobicContact CE1-CD1 4.47Å; F656-L673 WeakPolarHBondContact O-CA 3.33Å; F656-L673 PolarHBondContact O-N 3.12Å; F656-G674 PolarHBondContact N-O 3.02Å; F656-G674 VanDerWaalsContact N-O 3.14Å; F656-T759 VanDerWaalsContact CD2-OG1 3.23Å; F656-T759 WeakPolarHBondContact CD2-OG1 3.42Å; F656-T759 WeakPolarHBondContact CE2-OG1 3.46Å; F656-R761 HydrophobicContact CB-CB 4.38Å; F656-R761 HydrophobicContact CD1-CB 4.34Å; F656-R761 HydrophobicContact CD1-CG 4.36Å; F656-R761 HydrophobicContact CD2-CB 3.78Å; F656-R761 HydrophobicContact CE2-CB 4.09Å; F656-R761 HydrophobicContact CG-CB 3.9Å; F656-R761 HydrophobicContact CG-CG 4.39Å
657	N	97	Very high	90	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.3	-178.1	-63.3	-93.4	0	0	0	111.7	M574 R584 H585 T612 C654 Q670 E671	M574-N657 HydrophobicContact CE-CB 4.05Å; M574-N657 WeakPolarHBondContact CE-O 3.49Å; R584-N657 WeakPolarHBondContact O-CB 3.42Å; R584-N657 PolarHBondContact O-N 3.01Å; R584-N657 PolarHBondContact O-ND2 3.42Å; H585-N657 PolarHBondContact ND1-ND2 2.79Å; T612-N657 PolarHBondContact OG1-ND2 3.23Å; C654-N657 PolarHBondContact O-ND2 3.37Å; C654-N657 PolarHBondContact SG-OD1 3.32Å; C654-N657 VanDerWaalsContact SG-OD1 3.35Å; N657-Q670 PolarHBondContact OD1-NE2 3.38Å; N657-E671 CarbonylContact C-O 3.6Å; N657-E671 WeakPolarHBondContact CA-O 3.38Å
658	R	95.9	Very high	90.8	Very high	105 Å²	105	44.5 Å²	44.5	40%	0.396	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.2	158.5	-177.1	171.3	70.3	165.4	5.1	108.8	E671 L673	R658-E671 HydrophobicContact CB-CB 4.28Å; R658-E671 IonicContact CZ-OE1 2.72Å; R658-E671 IonicContact CZ-OE2 2.68Å; R658-E671 PolarHBondContact N-O 3.07Å; R658-E671 IonicContact NE-OE1 2.68Å; R658-E671 PolarHBondContact NE-OE1 2.78Å; R658-E671 VanDerWaalsContact NH2-CD 3.25Å; R658-E671 IonicContact NH2-OE1 2.76Å; R658-E671 PolarHBondContact NH2-OE1 3.3Å; R658-E671 IonicContact NH2-OE2 3.68Å; R658-E671 PolarHBondContact NH2-OE2 2.98Å; R658-E671 PolarHBondContact O-N 2.87Å; R658-L673 HydrophobicContact CB-CD1 3.81Å
659	V	95.5	Very high	91.6	Very high	15 Å²	15	41.7 Å²	41.7	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.6	-171.5	172.2	0	0	0	0	111.2	M574 L586 F661 Y668 V669	M574-V659 HydrophobicContact SD-CB 4.29Å; M574-V659 HydrophobicContact SD-CG2 4.17Å; L586-V659 HydrophobicContact CB-CG2 4.15Å; L586-V659 HydrophobicContact CD1-CB 4.39Å; L586-V659 HydrophobicContact CD1-CG1 4.2Å; L586-V659 HydrophobicContact CD1-CG2 4.39Å; L586-V659 HydrophobicContact CD2-CG1 4.04Å; L586-V659 HydrophobicContact CD2-CG2 4.11Å; L586-V659 HydrophobicContact CG-CG2 4.44Å; V659-F661 HydrophobicContact CG1-CD2 4.02Å; V659-F661 HydrophobicContact CG1-CE2 3.74Å; V659-F661 HydrophobicContact CG1-CZ 4.34Å; V659-Y668 HydrophobicContact CG1-CD2 3.67Å; V659-Y668 HydrophobicContact CG1-CE2 4.37Å; V659-Y668 HydrophobicContact CG1-CG 4.02Å; V659-Y668 HydrophobicContact CG2-CD2 4.37Å; V659-Y668 HydrophobicContact CG2-CE2 4.45Å; V659-V669 WeakPolarHBondContact CA-O 3.37Å
660	Q	94.6	Very high	92.4	Very high	70 Å²	70	39 Å²	39	33%	0.327	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	108.6	175.1	-171.9	-172.8	8.6	0	0	110.8	G104 W106 Y668 V669	G104-Q660 PolarHBondContact O-OE1 3.15Å; W106-Q660 PolarHBondContact NE1-O 3.5Å; Q660-Y668 WeakPolarHBondContact O-CA 3.24Å; Q660-V669 PolarHBondContact N-O 2.9Å; Q660-V669 PolarHBondContact O-N 3.47Å
661	F	94.5	Very high	93.1	Very high	21 Å²	21	39.3 Å²	39.3	9%	0.092	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	153.3	178.5	-75.2	-88.1	0	0	0	113.4	W106 V562 Y572 L586 V659 Y665 Y667 Y668 T685	W106-F661 PolarHBondContact NE1-O 2.93Å; V562-F661 HydrophobicContact CB-CD2 4.44Å; V562-F661 HydrophobicContact CB-CE2 4.31Å; V562-F661 HydrophobicContact CG1-CD2 3.71Å; V562-F661 HydrophobicContact CG1-CE2 3.94Å; Y572-F661 HydrophobicContact CD1-CE1 4.13Å; Y572-F661 HydrophobicContact CD1-CE2 4.2Å; Y572-F661 AromaticContact CD1-CZ 3.46Å; Y572-F661 HydrophobicContact CD1-CZ 3.46Å; Y572-F661 VanDerWaalsContact CD1-CZ 3.46Å; Y572-F661 HydrophobicContact CD2-CE1 4.22Å; Y572-F661 HydrophobicContact CD2-CE2 4.29Å; Y572-F661 AromaticContact CD2-CZ 3.93Å; Y572-F661 HydrophobicContact CD2-CZ 3.93Å; Y572-F661 HydrophobicContact CE1-CE1 4.12Å; Y572-F661 AromaticContact CE1-CZ 3.9Å; Y572-F661 HydrophobicContact CE1-CZ 3.9Å; Y572-F661 HydrophobicContact CE2-CE1 4.23Å; Y572-F661 HydrophobicContact CE2-CZ 4.33Å; Y572-F661 HydrophobicContact CG-CE1 4.19Å; Y572-F661 AromaticContact CG-CE2 3.83Å; Y572-F661 HydrophobicContact CG-CE2 3.83Å; Y572-F661 AromaticContact CG-CZ 3.48Å; Y572-F661 HydrophobicContact CG-CZ 3.48Å; Y572-F661 VanDerWaalsContact CG-CZ 3.48Å; L586-F661 HydrophobicContact CD1-CE2 4.11Å; L586-F661 HydrophobicContact CD1-CZ 4.37Å; L586-F661 HydrophobicContact CD2-CE2 4.45Å; L586-F661 HydrophobicContact CD2-CZ 4.06Å; V659-F661 HydrophobicContact CG1-CD2 4.02Å; V659-F661 HydrophobicContact CG1-CE2 3.74Å; V659-F661 HydrophobicContact CG1-CZ 4.34Å; F661-Y665 HydrophobicContact CB-CD1 3.8Å; F661-Y665 HydrophobicContact CB-CE1 4.14Å; F661-Y665 AromaticContact CD1-CD1 3.72Å; F661-Y665 HydrophobicContact CD1-CD1 3.72Å; F661-Y665 HydrophobicContact CD1-CG 4.49Å; F661-Y665 HydrophobicContact CD2-CD1 4.28Å; F661-Y665 HydrophobicContact CD2-CE1 4.47Å; F661-Y665 HydrophobicContact CE1-CD1 4.38Å; F661-Y665 AromaticContact CG-CD1 3.67Å; F661-Y665 HydrophobicContact CG-CD1 3.67Å; F661-Y665 HydrophobicContact CG-CE1 4.18Å; F661-Y667 WeakPolarHBondContact CA-O 3.3Å; F661-Y668 HydrophobicContact CD1-CD1 4.21Å; F661-Y668 HydrophobicContact CD1-CG 4.36Å; F661-Y668 AromaticContact CE1-CD1 3.65Å; F661-Y668 HydrophobicContact CE1-CD1 3.65Å; F661-Y668 HydrophobicContact CE1-CE1 4.46Å; F661-Y668 HydrophobicContact CE1-CG 4.09Å; F661-Y668 HydrophobicContact CZ-CD1 4.14Å; F661-Y668 HydrophobicContact CZ-CG 4.4Å; F661-T685 HydrophobicContact CE1-CG2 3.86Å
662	S	93.9	Very high	93.7	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	19%	0.186	C	C	.	.			trans	-64.6	159.7	162.3	69.4	0	0	0	0	111	G109 D664 Y665 S666 Y667	G109-S662 WeakPolarHBondContact O-CB 3.36Å; S662-D664 PolarHBondContact O-N 2.9Å; S662-D664 PolarHBondContact OG-OD1 2.94Å; S662-Y665 PolarHBondContact O-N 3.39Å; S662-Y665 PolarHBondContact OG-N 3.42Å; S662-S666 PolarHBondContact OG-N 2.88Å; S662-S666 VanDerWaalsContact OG-N 3.12Å; S662-Y667 PolarHBondContact N-O 2.85Å; S662-Y667 PolarHBondContact OG-N 2.96Å; S662-Y667 PolarHBondContact OG-O 2.89Å
663	Q	87.3	Confident	94.3	Very high	129 Å²	129	34 Å²	34	60%	0.603	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.6	-177.3	-66.3	175.2	11.1	0	0	114.3	W106 S107	W106-Q663 PolarHBondContact O-NE2 2.95Å; S107-Q663 VanDerWaalsContact C-NE2 3.28Å; S107-Q663 PolarHBondContact O-NE2 3.4Å
664	D	89.8	Confident	94.7	Very high	66 Å²	66	30 Å²	30	35%	0.353	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	10.6	177.7	65.8	-2.7	0	0	0	113.2	G109 S662 S666	G109-D664 VanDerWaalsContact CA-CG 3.43Å; G109-D664 VanDerWaalsContact CA-OD1 3.29Å; G109-D664 WeakPolarHBondContact CA-OD1 3.27Å; G109-D664 WeakPolarHBondContact CA-OD2 3.37Å; S662-D664 PolarHBondContact O-N 2.9Å; S662-D664 PolarHBondContact OG-OD1 2.94Å; D664-S666 VanDerWaalsContact CG-OG 3.26Å; D664-S666 PolarHBondContact O-N 3.13Å; D664-S666 WeakPolarHBondContact OD1-CB 3.41Å; D664-S666 PolarHBondContact OD1-N 3.44Å; D664-S666 VanDerWaalsContact OD1-N 3.12Å; D664-S666 PolarHBondContact OD1-OG 2.7Å; D664-S666 PolarHBondContact OD2-OG 3.27Å
665	Y	93.6	Very high	94.6	Very high	49 Å²	49	31.2 Å²	31.2	19%	0.192	15%	0.149	C	C	.	.	S	Bend	trans	56.1	6.2	-174.8	-58.6	-85.7	0	0	0	116.2	G563 W564 D565 Y572 F661 S662 Y667 T685	G563-Y665 WeakPolarHBondContact CA-OH 3.38Å; W564-Y665 PolarHBondContact N-OH 2.78Å; W564-Y665 WeakPolarHBondContact O-CE2 3.32Å; W564-Y665 PolarHBondContact O-OH 2.98Å; D565-Y665 HydrophobicContact CB-CD2 3.72Å; D565-Y665 HydrophobicContact CB-CE2 4.25Å; D565-Y665 HydrophobicContact CB-CG 3.88Å; Y572-Y665 AromaticContact CD2-CD1 3.87Å; Y572-Y665 HydrophobicContact CD2-CD1 3.87Å; Y572-Y665 HydrophobicContact CD2-CE1 4.22Å; Y572-Y665 AromaticContact CE2-CD1 3.92Å; Y572-Y665 HydrophobicContact CE2-CD1 3.92Å; Y572-Y665 HydrophobicContact CE2-CG 4.3Å; F661-Y665 HydrophobicContact CB-CD1 3.8Å; F661-Y665 HydrophobicContact CB-CE1 4.14Å; F661-Y665 AromaticContact CD1-CD1 3.72Å; F661-Y665 HydrophobicContact CD1-CD1 3.72Å; F661-Y665 HydrophobicContact CD1-CG 4.49Å; F661-Y665 HydrophobicContact CD2-CD1 4.28Å; F661-Y665 HydrophobicContact CD2-CE1 4.47Å; F661-Y665 HydrophobicContact CE1-CD1 4.38Å; F661-Y665 AromaticContact CG-CD1 3.67Å; F661-Y665 HydrophobicContact CG-CD1 3.67Å; F661-Y665 HydrophobicContact CG-CE1 4.18Å; S662-Y665 PolarHBondContact O-N 3.39Å; S662-Y665 PolarHBondContact OG-N 3.42Å; Y665-Y667 VanDerWaalsContact C-N 3.27Å; Y665-Y667 PolarHBondContact O-N 2.87Å; Y665-T685 WeakPolarHBondContact O-CB 3.48Å; Y665-T685 WeakPolarHBondContact O-CG2 3.49Å; Y665-T685 PolarHBondContact O-OG1 2.79Å
666	S	93.8	Very high	94.4	Very high	38 Å²	38	31.7 Å²	31.7	27%	0.266	15%	0.151	S	C	.	.	S	Bend	trans	-64.8	-29.6	-178.2	63.2	0	0	0	0	113.5	G109 S662 D664 T685	G109-S666 PolarHBondContact O-OG 2.77Å; S662-S666 PolarHBondContact OG-N 2.88Å; S662-S666 VanDerWaalsContact OG-N 3.12Å; D664-S666 VanDerWaalsContact CG-OG 3.26Å; D664-S666 PolarHBondContact O-N 3.13Å; D664-S666 WeakPolarHBondContact OD1-CB 3.41Å; D664-S666 PolarHBondContact OD1-N 3.44Å; D664-S666 VanDerWaalsContact OD1-N 3.12Å; D664-S666 PolarHBondContact OD1-OG 2.7Å; D664-S666 PolarHBondContact OD2-OG 3.27Å; S666-T685 PolarHBondContact O-N 3.02Å; S666-T685 PolarHBondContact O-OG1 3.07Å
667	Y	95.7	Very high	94.1	Very high	38 Å²	38	31 Å²	31	15%	0.149	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	163	176.8	-60.1	-80.3	0	0	0	111.6	W106 M126 F661 S662 Y665 V683 E684 T685 I691	W106-Y667 HydrophobicContact CH2-CG 4.35Å; M126-Y667 HydrophobicContact CB-CD2 3.91Å; M126-Y667 HydrophobicContact CB-CE1 4.43Å; M126-Y667 HydrophobicContact CB-CE2 3.5Å; M126-Y667 HydrophobicContact CG-CD2 3.95Å; M126-Y667 HydrophobicContact CG-CE2 4.08Å; M126-Y667 HydrophobicContact CG-CG 4.34Å; F661-Y667 WeakPolarHBondContact CA-O 3.3Å; S662-Y667 PolarHBondContact N-O 2.85Å; S662-Y667 PolarHBondContact OG-N 2.96Å; S662-Y667 PolarHBondContact OG-O 2.89Å; Y665-Y667 VanDerWaalsContact C-N 3.27Å; Y665-Y667 PolarHBondContact O-N 2.87Å; Y667-V683 WeakPolarHBondContact CA-O 3.44Å; Y667-E684 HydrophobicContact CD1-CB 4.16Å; Y667-E684 HydrophobicContact CE1-CB 4.07Å; Y667-E684 HydrophobicContact CE1-CG 4.19Å; Y667-T685 PolarHBondContact N-OG1 3.38Å; Y667-I691 HydrophobicContact CD1-CD1 3.94Å; Y667-I691 HydrophobicContact CE1-CD1 3.63Å
668	Y	96.4	Very high	94	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.3	163.4	64.2	-90.6	0	0	0	113	L586 V659 Q660 F661 Q670 V683 N688	L586-Y668 HydrophobicContact CD2-CE1 4.25Å; L586-Y668 HydrophobicContact CD2-CE2 4Å; V659-Y668 HydrophobicContact CG1-CD2 3.67Å; V659-Y668 HydrophobicContact CG1-CE2 4.37Å; V659-Y668 HydrophobicContact CG1-CG 4.02Å; V659-Y668 HydrophobicContact CG2-CD2 4.37Å; V659-Y668 HydrophobicContact CG2-CE2 4.45Å; Q660-Y668 WeakPolarHBondContact O-CA 3.24Å; F661-Y668 HydrophobicContact CD1-CD1 4.21Å; F661-Y668 HydrophobicContact CD1-CG 4.36Å; F661-Y668 AromaticContact CE1-CD1 3.65Å; F661-Y668 HydrophobicContact CE1-CD1 3.65Å; F661-Y668 HydrophobicContact CE1-CE1 4.46Å; F661-Y668 HydrophobicContact CE1-CG 4.09Å; F661-Y668 HydrophobicContact CZ-CD1 4.14Å; F661-Y668 HydrophobicContact CZ-CG 4.4Å; Y668-Q670 HydrophobicContact CD2-CB 4.25Å; Y668-Q670 HydrophobicContact CE2-CB 4.02Å; Y668-V683 HydrophobicContact CD1-CB 4.14Å; Y668-V683 HydrophobicContact CD2-CB 4.06Å; Y668-V683 HydrophobicContact CD2-CG2 4.02Å; Y668-V683 HydrophobicContact CE1-CB 3.83Å; Y668-V683 HydrophobicContact CE1-CG1 3.86Å; Y668-V683 HydrophobicContact CE2-CB 3.76Å; Y668-V683 HydrophobicContact CE2-CG1 4.23Å; Y668-V683 HydrophobicContact CE2-CG2 3.6Å; Y668-V683 HydrophobicContact CG-CB 4.26Å; Y668-V683 PolarHBondContact N-O 2.84Å; Y668-V683 PolarHBondContact O-N 2.69Å; Y668-N688 PolarHBondContact OH-OD1 3.09Å
669	V	96.5	Very high	93.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128	164.9	179.5	0	0	0	0	108.2	F102 W106 L112 V659 Q660 V680 Y681 L694	F102-V669 HydrophobicContact CD1-CG1 3.97Å; F102-V669 HydrophobicContact CE1-CG1 4Å; F102-V669 HydrophobicContact CE1-CG2 4.18Å; W106-V669 HydrophobicContact CZ2-CG2 4.02Å; L112-V669 HydrophobicContact CD1-CG2 4.15Å; L112-V669 HydrophobicContact CD2-CG2 3.73Å; V659-V669 WeakPolarHBondContact CA-O 3.37Å; Q660-V669 PolarHBondContact N-O 2.9Å; Q660-V669 PolarHBondContact O-N 3.47Å; V669-V680 HydrophobicContact CG1-CG1 3.55Å; V669-Y681 CarbonylContact C-O 3.51Å; V669-Y681 WeakPolarHBondContact CA-O 3.39Å; V669-L694 HydrophobicContact CG1-CD1 3.99Å; V669-L694 HydrophobicContact CG2-CD1 4.03Å
670	Q	96.3	Very high	93.9	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113	170.9	-175.8	-171.8	-0.9	0	0	109	T612 N657 Y668 V680 Y681 V683	T612-Q670 HydrophobicContact CG2-CG 4.18Å; N657-Q670 PolarHBondContact OD1-NE2 3.38Å; Y668-Q670 HydrophobicContact CD2-CB 4.25Å; Y668-Q670 HydrophobicContact CE2-CB 4.02Å; Q670-V680 WeakPolarHBondContact O-CA 3.49Å; Q670-Y681 PolarHBondContact N-O 2.71Å; Q670-Y681 PolarHBondContact O-N 2.98Å; Q670-V683 HydrophobicContact CB-CG2 3.95Å
671	E	95.7	Very high	93.9	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.028	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.8	163.2	-75.4	176	-79.7	0	0	109.3	F102 N657 R658 L673 V680	F102-E671 VanDerWaalsContact CB-CD 3.42Å; F102-E671 HydrophobicContact CB-CG 3.77Å; F102-E671 VanDerWaalsContact CB-OE2 3.31Å; F102-E671 WeakPolarHBondContact CB-OE2 3.49Å; F102-E671 PolarHBondContact N-OE2 3.2Å; N657-E671 CarbonylContact C-O 3.6Å; N657-E671 WeakPolarHBondContact CA-O 3.38Å; R658-E671 HydrophobicContact CB-CB 4.28Å; R658-E671 IonicContact CZ-OE1 2.72Å; R658-E671 IonicContact CZ-OE2 2.68Å; R658-E671 PolarHBondContact N-O 3.07Å; R658-E671 IonicContact NE-OE1 2.68Å; R658-E671 PolarHBondContact NE-OE1 2.78Å; R658-E671 VanDerWaalsContact NH2-CD 3.25Å; R658-E671 IonicContact NH2-OE1 2.76Å; R658-E671 PolarHBondContact NH2-OE1 3.3Å; R658-E671 IonicContact NH2-OE2 3.68Å; R658-E671 PolarHBondContact NH2-OE2 2.98Å; R658-E671 PolarHBondContact O-N 2.87Å; E671-L673 HydrophobicContact CB-CD2 4Å; E671-L673 HydrophobicContact CB-CG 4.02Å; E671-L673 PolarHBondContact O-N 2.97Å; E671-V680 HydrophobicContact CG-CG1 3.96Å; E671-V680 HydrophobicContact CG-CG2 4.07Å
672	C	95.8	Very high	93.9	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.6	163.6	-165.7	0	0	0	0	108.4	C654 P678 S679 Y681	C654-C672 VanDerWaalsContact CA-SG 3.53Å; C654-C672 HydrophobicContact CB-CB 4.41Å; C654-C672 WeakPolarHBondContact CB-SG 3.48Å; C654-C672 VanDerWaalsContact SG-CA 3.5Å; C654-C672 WeakPolarHBondContact SG-CB 3.42Å; C654-C672 CovalentContact SG-SG 2.03Å; C654-C672 PolarHBondContact SG-SG 3.36Å; C672-P678 CarbonylContact O-C 3.6Å; C672-P678 WeakPolarHBondContact O-CA 3.38Å; C672-P678 VanDerWaalsContact O-CB 3.24Å; C672-P678 WeakPolarHBondContact O-CB 3.31Å; C672-S679 WeakPolarHBondContact CB-O 3.33Å; C672-S679 PolarHBondContact N-O 3.12Å; C672-S679 PolarHBondContact O-N 3.29Å; C672-Y681 HydrophobicContact CB-CE2 4.2Å
673	L	96.1	Very high	93.9	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.026	11%	0.105	C	C	.	.			trans	-112.4	5.8	-172.7	-62.7	178	0	0	0	113.8	F656 R658 E671 F762	F656-L673 HydrophobicContact CD1-CB 4.04Å; F656-L673 HydrophobicContact CD1-CD1 4.35Å; F656-L673 HydrophobicContact CE1-CD1 4.47Å; F656-L673 WeakPolarHBondContact O-CA 3.33Å; F656-L673 PolarHBondContact O-N 3.12Å; R658-L673 HydrophobicContact CB-CD1 3.81Å; E671-L673 HydrophobicContact CB-CD2 4Å; E671-L673 HydrophobicContact CB-CG 4.02Å; E671-L673 PolarHBondContact O-N 2.97Å; L673-F762 VanDerWaalsContact O-CB 3.3Å; L673-F762 WeakPolarHBondContact O-CB 3.47Å; L673-F762 PolarHBondContact O-N 3.42Å
674	G	93.7	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	159.7	173.5	173.1	0	0	0	0	0	114.8	C654 L655 F656 E760	C654-G674 CarbonylContact C-O 3.57Å; L655-G674 PolarHBondContact N-O 3.37Å; F656-G674 PolarHBondContact N-O 3.02Å; F656-G674 VanDerWaalsContact N-O 3.14Å; G674-E760 CarbonylContact C-O 3.58Å; G674-E760 VanDerWaalsContact CA-O 3.25Å; G674-E760 WeakPolarHBondContact CA-O 3.39Å
675	P	92.6	Very high	94.5	Very high	30 Å²	30	15.1 Å²	15.1	20%	0.195	8%	0.077	C	C	.	.	B	Isolated β-bridge	cis	-81.4	-17.2	7.2	30.7	-35.9	0	0	0	114.9	N653 L655 E760	N653-P675 HydrophobicContact CB-CG 4.2Å; L655-P675 HydrophobicContact CD1-CG 4.35Å; P675-E760 WeakPolarHBondContact CA-O 3.47Å; P675-E760 HydrophobicContact CB-CB 4.49Å; P675-E760 WeakPolarHBondContact CB-OE2 3.38Å; P675-E760 VanDerWaalsContact N-O 3.14Å
676	E	90.9	Very high	94.5	Very high	52 Å²	52	17 Å²	17	24%	0.243	10%	0.103	C	C	.	.	S	Bend	trans	-76	174.9	176	-71	-176.6	-111.4	0	0	112.9	P651 K652 N653 P678	P651-E676 HydrophobicContact CB-CB 3.64Å; P651-E676 HydrophobicContact CB-CG 4.47Å; K652-E676 WeakPolarHBondContact CA-OE1 3.27Å; K652-E676 WeakPolarHBondContact CB-OE1 3.15Å; K652-E676 PolarHBondContact N-OE1 3.38Å; N653-E676 PolarHBondContact N-OE1 2.87Å; E676-P678 WeakPolarHBondContact O-CD 3.33Å
677	A	91.6	Very high	94.5	Very high	10 Å²	10	17.7 Å²	17.7	8%	0.083	11%	0.108	C	C	.	.	S	Bend	trans	-54.6	120.1	177.9	0	0	0	0	0	111.2	R701 L704	A677-R701 HydrophobicContact CB-CB 4.16Å; A677-R701 HydrophobicContact CB-CG 4.28Å; A677-R701 PolarHBondContact O-NH2 3.48Å; A677-L704 HydrophobicContact CB-CD1 3.87Å
678	P	94.9	Very high	94.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.013	11%	0.11	C	C	.	.			trans	-55.2	158.3	-170.1	-34.3	38.8	0	0	0	116.6	W99 C672 E676 F762	W99-P678 HydrophobicContact CB-CG 4.11Å; W99-P678 HydrophobicContact CD2-CB 3.5Å; W99-P678 HydrophobicContact CD2-CG 4.01Å; W99-P678 HydrophobicContact CE3-CB 3.83Å; W99-P678 HydrophobicContact CE3-CG 4.43Å; W99-P678 HydrophobicContact CG-CB 3.84Å; W99-P678 HydrophobicContact CG-CG 3.85Å; W99-P678 HydrophobicContact CH2-CB 4.19Å; W99-P678 HydrophobicContact CZ2-CB 3.93Å; W99-P678 HydrophobicContact CZ3-CB 4.15Å; C672-P678 CarbonylContact O-C 3.6Å; C672-P678 WeakPolarHBondContact O-CA 3.38Å; C672-P678 VanDerWaalsContact O-CB 3.24Å; C672-P678 WeakPolarHBondContact O-CB 3.31Å; E676-P678 WeakPolarHBondContact O-CD 3.33Å; P678-F762 HydrophobicContact CG-CB 3.91Å; P678-F762 HydrophobicContact CG-CD1 3.85Å; P678-F762 HydrophobicContact CG-CG 4.04Å
679	S	93.8	Very high	94.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	157.7	-179.1	-58.5	0	0	0	0	111.3	P651 C672 Y681 N695 A696 R701	P651-S679 WeakPolarHBondContact CD-OG 3.34Å; C672-S679 WeakPolarHBondContact CB-O 3.33Å; C672-S679 PolarHBondContact N-O 3.12Å; C672-S679 PolarHBondContact O-N 3.29Å; S679-Y681 WeakPolarHBondContact CB-OH 3.38Å; S679-N695 CarbonylContact C-O 3.55Å; S679-N695 VanDerWaalsContact CA-O 3.31Å; S679-N695 WeakPolarHBondContact CA-O 3.3Å; S679-A696 PolarHBondContact OG-O 3.01Å; S679-R701 PolarHBondContact OG-NH2 2.89Å; S679-R701 VanDerWaalsContact OG-NH2 3.1Å
680	V	94.4	Very high	94.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.4	-175	-164.3	0	0	0	0	110.9	W99 F102 V669 Q670 E671 L694 N695	W99-V680 HydrophobicContact CH2-CG2 4.01Å; W99-V680 HydrophobicContact CZ2-CG2 3.62Å; F102-V680 HydrophobicContact CB-CG1 4.22Å; F102-V680 HydrophobicContact CB-CG2 4.28Å; F102-V680 HydrophobicContact CD2-CG1 3.85Å; F102-V680 HydrophobicContact CD2-CG2 4.44Å; F102-V680 HydrophobicContact CE2-CG1 4.37Å; F102-V680 HydrophobicContact CG-CG1 3.98Å; V669-V680 HydrophobicContact CG1-CG1 3.55Å; Q670-V680 WeakPolarHBondContact O-CA 3.49Å; E671-V680 HydrophobicContact CG-CG1 3.96Å; E671-V680 HydrophobicContact CG-CG2 4.07Å; V680-L694 HydrophobicContact CB-CB 4.13Å; V680-L694 HydrophobicContact CG1-CB 4.04Å; V680-L694 HydrophobicContact CG1-CD1 4.1Å; V680-L694 PolarHBondContact O-N 3.06Å; V680-N695 HydrophobicContact CB-CB 4.25Å; V680-N695 HydrophobicContact CG2-CB 4.12Å; V680-N695 PolarHBondContact N-O 2.77Å; V680-N695 PolarHBondContact O-N 2.9Å; V680-N695 VanDerWaalsContact O-N 3.15Å
681	Y	93.7	Very high	94	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.4	-177.6	-48.6	-65.3	0	0	0	111.6	Y620 I650 P651 V669 Q670 C672 S679 K690 V693	Y620-Y681 HydrophobicContact CE1-CD1 4.33Å; Y620-Y681 HydrophobicContact CE1-CE1 4.04Å; I650-Y681 HydrophobicContact CG2-CE1 4.32Å; P651-Y681 WeakPolarHBondContact CD-OH 3.34Å; V669-Y681 CarbonylContact C-O 3.51Å; V669-Y681 WeakPolarHBondContact CA-O 3.39Å; Q670-Y681 PolarHBondContact N-O 2.71Å; Q670-Y681 PolarHBondContact O-N 2.98Å; C672-Y681 HydrophobicContact CB-CE2 4.2Å; S679-Y681 WeakPolarHBondContact CB-OH 3.38Å; Y681-K690 HydrophobicContact CD2-CD 4.3Å; Y681-K690 HydrophobicContact CG-CD 4.29Å; Y681-K690 HydrophobicContact CG-CG 4.49Å; Y681-V693 HydrophobicContact CD1-CG1 4.27Å; Y681-V693 HydrophobicContact CD1-CG2 4.19Å; Y681-V693 HydrophobicContact CE1-CG1 4.26Å; Y681-V693 HydrophobicContact CE1-CG2 4.39Å
682	L	94.6	Very high	93.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.5	162.7	175.6	71.7	0	0	0	108.5	W106 L124 M126 L129 K690 I691 Y692 L694	W106-L682 HydrophobicContact CH2-CD1 3.76Å; W106-L682 HydrophobicContact CZ2-CD1 4.06Å; L124-L682 HydrophobicContact CD2-CD2 4.4Å; M126-L682 HydrophobicContact CE-CD1 3.88Å; M126-L682 HydrophobicContact CE-CD2 4.01Å; M126-L682 HydrophobicContact SD-CD1 4.07Å; M126-L682 HydrophobicContact SD-CD2 3.34Å; M126-L682 WeakPolarHBondContact SD-CD2 3.49Å; M126-L682 HydrophobicContact SD-CG 4.35Å; L129-L682 HydrophobicContact CD2-CD2 4.3Å; L682-K690 WeakPolarHBondContact O-CA 3.36Å; L682-I691 HydrophobicContact CB-CG1 4.45Å; L682-I691 HydrophobicContact CD2-CD1 3.76Å; L682-I691 HydrophobicContact CD2-CG1 3.86Å; L682-I691 HydrophobicContact CG-CD1 4.1Å; L682-I691 HydrophobicContact CG-CG1 3.91Å; L682-I691 PolarHBondContact O-N 3.13Å; L682-Y692 PolarHBondContact N-O 3.09Å; L682-Y692 PolarHBondContact O-N 3.11Å; L682-L694 HydrophobicContact CB-CD1 4.31Å; L682-L694 HydrophobicContact CB-CG 4.5Å
683	V	95.6	Very high	93.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.1	-176.4	-162.5	0	0	0	0	109.8	Y667 Y668 Q670 D689 K690	Y667-V683 WeakPolarHBondContact CA-O 3.44Å; Y668-V683 HydrophobicContact CD1-CB 4.14Å; Y668-V683 HydrophobicContact CD2-CB 4.06Å; Y668-V683 HydrophobicContact CD2-CG2 4.02Å; Y668-V683 HydrophobicContact CE1-CB 3.83Å; Y668-V683 HydrophobicContact CE1-CG1 3.86Å; Y668-V683 HydrophobicContact CE2-CB 3.76Å; Y668-V683 HydrophobicContact CE2-CG1 4.23Å; Y668-V683 HydrophobicContact CE2-CG2 3.6Å; Y668-V683 HydrophobicContact CG-CB 4.26Å; Y668-V683 PolarHBondContact N-O 2.84Å; Y668-V683 PolarHBondContact O-N 2.69Å; Q670-V683 HydrophobicContact CB-CG2 3.95Å; V683-D689 WeakPolarHBondContact CA-O 3.41Å; V683-D689 WeakPolarHBondContact CG1-O 3.46Å; V683-K690 HydrophobicContact CG2-CG 4.01Å
684	E	95.3	Very high	93.2	Very high	71 Å²	71	24.1 Å²	24.1	33%	0.332	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124	168.2	179.1	-172.2	-132.1	0	0	109.6	Y667 A686 S687 N688 D689 I691	Y667-E684 HydrophobicContact CD1-CB 4.16Å; Y667-E684 HydrophobicContact CE1-CB 4.07Å; Y667-E684 HydrophobicContact CE1-CG 4.19Å; E684-A686 VanDerWaalsContact C-N 3.28Å; E684-A686 HydrophobicContact CG-CB 4.44Å; E684-A686 PolarHBondContact O-N 3.01Å; E684-S687 VanDerWaalsContact OE2-CB 3.26Å; E684-S687 WeakPolarHBondContact OE2-CB 3.2Å; E684-S687 PolarHBondContact OE2-OG 3.35Å; E684-N688 VanDerWaalsContact O-CA 3.29Å; E684-N688 WeakPolarHBondContact O-CA 3.26Å; E684-N688 PolarHBondContact O-N 3.05Å; E684-D689 PolarHBondContact N-O 3.18Å; E684-D689 VanDerWaalsContact N-O 3.07Å; E684-I691 HydrophobicContact CB-CG2 4.35Å
685	T	94.6	Very high	93.1	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27	-171.2	-53.2	0	0	0	0	113.6	Y572 F661 Y665 S666 Y667	Y572-T685 HydrophobicContact CE1-CG2 4.01Å; Y572-T685 WeakPolarHBondContact OH-CG2 3.37Å; F661-T685 HydrophobicContact CE1-CG2 3.86Å; Y665-T685 WeakPolarHBondContact O-CB 3.48Å; Y665-T685 WeakPolarHBondContact O-CG2 3.49Å; Y665-T685 PolarHBondContact O-OG1 2.79Å; S666-T685 PolarHBondContact O-N 3.02Å; S666-T685 PolarHBondContact O-OG1 3.07Å; Y667-T685 PolarHBondContact N-OG1 3.38Å
686	A	92.1	Very high	92.9	Very high	89 Å²	89	26.3 Å²	26.3	74%	0.736	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-47.6	-176.4	0	0	0	0	0	112.5	E684	E684-A686 VanDerWaalsContact C-N 3.28Å; E684-A686 HydrophobicContact CG-CB 4.44Å; E684-A686 PolarHBondContact O-N 3.01Å
687	S	93.6	Very high	92.8	Very high	52 Å²	52	24 Å²	24	36%	0.364	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-26.4	177.7	54.8	0	0	0	0	113.3	E684 D689	E684-S687 VanDerWaalsContact OE2-CB 3.26Å; E684-S687 WeakPolarHBondContact OE2-CB 3.2Å; E684-S687 PolarHBondContact OE2-OG 3.35Å; S687-D689 PolarHBondContact O-N 3.34Å; S687-D689 PolarHBondContact OG-N 3.4Å
688	N	95.4	Very high	92.5	Very high	35 Å²	35	26.7 Å²	26.7	19%	0.187	15%	0.153	C	C	.	.			trans	64.5	19.4	-165.5	-155.7	87.5	0	0	0	113.5	L611 Y668 E684	L611-N688 VanDerWaalsContact CB-OD1 3.3Å; L611-N688 WeakPolarHBondContact CB-OD1 3.16Å; L611-N688 WeakPolarHBondContact CD2-OD1 3.2Å; L611-N688 PolarHBondContact O-ND2 3.28Å; Y668-N688 PolarHBondContact OH-OD1 3.09Å; E684-N688 VanDerWaalsContact O-CA 3.29Å; E684-N688 WeakPolarHBondContact O-CA 3.26Å; E684-N688 PolarHBondContact O-N 3.05Å
689	D	94.4	Very high	92.2	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.139	18%	0.182	C	C	.	.			trans	-90.4	134.9	178.6	-84.5	-36.2	0	0	0	111.8	R621 V683 E684 S687 I691	R621-D689 HydrophobicContact CB-CB 4.23Å; R621-D689 HydrophobicContact CG-CB 3.48Å; R621-D689 VanDerWaalsContact CG-CB 3.48Å; R621-D689 WeakPolarHBondContact CG-OD2 3.42Å; R621-D689 IonicContact CZ-OD1 2.77Å; R621-D689 VanDerWaalsContact CZ-OD1 3.26Å; R621-D689 IonicContact CZ-OD2 2.7Å; R621-D689 VanDerWaalsContact CZ-OD2 3.25Å; R621-D689 IonicContact NE-OD1 3.15Å; R621-D689 IonicContact NE-OD2 2.7Å; R621-D689 PolarHBondContact NE-OD2 3.02Å; R621-D689 IonicContact NH1-OD1 3.48Å; R621-D689 VanDerWaalsContact NH2-CG 3.26Å; R621-D689 IonicContact NH2-OD1 2.94Å; R621-D689 PolarHBondContact NH2-OD1 3.28Å; R621-D689 IonicContact NH2-OD2 3.35Å; R621-D689 PolarHBondContact NH2-OD2 2.88Å; V683-D689 WeakPolarHBondContact CA-O 3.41Å; V683-D689 WeakPolarHBondContact CG1-O 3.46Å; E684-D689 PolarHBondContact N-O 3.18Å; E684-D689 VanDerWaalsContact N-O 3.07Å; S687-D689 PolarHBondContact O-N 3.34Å; S687-D689 PolarHBondContact OG-N 3.4Å; D689-I691 PolarHBondContact O-N 3.02Å
690	K	93.5	Very high	92	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.022	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	110.6	174.2	-63.8	159	-170.9	157	0	108.9	N615 T619 Y620 R621 L622 Y681 L682 V683	N615-K690 PolarHBondContact OD1-NZ 3.38Å; T619-K690 WeakPolarHBondContact O-CB 3.42Å; T619-K690 PolarHBondContact O-N 3.18Å; T619-K690 PolarHBondContact OG1-NZ 3Å; Y620-K690 HydrophobicContact CD1-CB 3.9Å; Y620-K690 HydrophobicContact CD1-CD 3.8Å; Y620-K690 HydrophobicContact CD2-CD 4.21Å; Y620-K690 HydrophobicContact CE1-CB 4.21Å; Y620-K690 HydrophobicContact CE1-CD 3.38Å; Y620-K690 HydrophobicContact CE1-CG 4.41Å; Y620-K690 HydrophobicContact CE2-CD 3.85Å; Y620-K690 HydrophobicContact CG-CB 4.39Å; Y620-K690 HydrophobicContact CG-CD 4.19Å; Y620-K690 PolarHBondContact OH-NZ 3.33Å; R621-K690 PolarHBondContact N-O 2.84Å; L622-K690 WeakPolarHBondContact CD2-O 3.34Å; Y681-K690 HydrophobicContact CD2-CD 4.3Å; Y681-K690 HydrophobicContact CG-CD 4.29Å; Y681-K690 HydrophobicContact CG-CG 4.49Å; L682-K690 WeakPolarHBondContact O-CA 3.36Å; V683-K690 HydrophobicContact CG2-CG 4.01Å
691	I	92.4	Very high	91.8	Very high	33 Å²	33	33.4 Å²	33.4	17%	0.169	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-23.3	-172.5	57.7	168.1	0	0	0	113.8	Y667 L682 E684 D689	Y667-I691 HydrophobicContact CD1-CD1 3.94Å; Y667-I691 HydrophobicContact CE1-CD1 3.63Å; L682-I691 HydrophobicContact CB-CG1 4.45Å; L682-I691 HydrophobicContact CD2-CD1 3.76Å; L682-I691 HydrophobicContact CD2-CG1 3.86Å; L682-I691 HydrophobicContact CG-CD1 4.1Å; L682-I691 HydrophobicContact CG-CG1 3.91Å; L682-I691 PolarHBondContact O-N 3.13Å; E684-I691 HydrophobicContact CB-CG2 4.35Å; D689-I691 PolarHBondContact O-N 3.02Å
692	Y	90.1	Very high	91.5	Very high	72 Å²	72	38.9 Å²	38.9	28%	0.282	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	145.7	179.9	-168	-91.4	0	0	0	111.8	L124 L129 L682 L694	L124-Y692 HydrophobicContact CD2-CD1 4.14Å; L124-Y692 HydrophobicContact CD2-CE1 4.26Å; L129-Y692 HydrophobicContact CD1-CD2 4.42Å; L682-Y692 PolarHBondContact N-O 3.09Å; L682-Y692 PolarHBondContact O-N 3.11Å; Y692-L694 HydrophobicContact CD1-CD2 3.96Å; Y692-L694 HydrophobicContact CD1-CG 4.23Å; Y692-L694 HydrophobicContact CE1-CD2 4.1Å
693	V	90.1	Very high	91.3	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.5	177.6	-175.8	0	0	0	0	108.9	L622 Y648 Y681 A696	L622-V693 HydrophobicContact CD1-CG2 3.73Å; L622-V693 HydrophobicContact CD2-CG2 3.93Å; Y648-V693 HydrophobicContact CD1-CG1 4.46Å; Y648-V693 HydrophobicContact CD2-CB 4.45Å; Y648-V693 HydrophobicContact CD2-CG2 4.11Å; Y648-V693 HydrophobicContact CE2-CB 4.3Å; Y648-V693 HydrophobicContact CE2-CG2 4.3Å; Y681-V693 HydrophobicContact CD1-CG1 4.27Å; Y681-V693 HydrophobicContact CD1-CG2 4.19Å; Y681-V693 HydrophobicContact CE1-CG1 4.26Å; Y681-V693 HydrophobicContact CE1-CG2 4.39Å; V693-A696 HydrophobicContact CG1-CB 3.91Å
694	L	90.6	Very high	91.1	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.058	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-34.4	-178.8	-70.1	165.9	0	0	0	111.7	F102 L112 Y114 L124 V669 V680 L682 Y692	F102-L694 HydrophobicContact CE2-CB 4.31Å; F102-L694 HydrophobicContact CE2-CD1 4.16Å; F102-L694 HydrophobicContact CZ-CD1 4.02Å; L112-L694 HydrophobicContact CD2-CD1 3.86Å; L112-L694 HydrophobicContact CD2-CD2 4.17Å; Y114-L694 HydrophobicContact CD2-CD2 4.28Å; Y114-L694 HydrophobicContact CE2-CD2 4.11Å; L124-L694 HydrophobicContact CD2-CD2 4.01Å; V669-L694 HydrophobicContact CG1-CD1 3.99Å; V669-L694 HydrophobicContact CG2-CD1 4.03Å; V680-L694 HydrophobicContact CB-CB 4.13Å; V680-L694 HydrophobicContact CG1-CB 4.04Å; V680-L694 HydrophobicContact CG1-CD1 4.1Å; V680-L694 PolarHBondContact O-N 3.06Å; L682-L694 HydrophobicContact CB-CD1 4.31Å; L682-L694 HydrophobicContact CB-CG 4.5Å; Y692-L694 HydrophobicContact CD1-CD2 3.96Å; Y692-L694 HydrophobicContact CD1-CG 4.23Å; Y692-L694 HydrophobicContact CE1-CD2 4.1Å
695	N	90.6	Very high	90.8	Very high	72 Å²	72	45.2 Å²	45.2	39%	0.385	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	111.1	173.3	-179.7	0.2	0	0	0	110.4	W99 S679 V680 G697	W99-N695 HydrophobicContact CH2-CB 4.49Å; W99-N695 VanDerWaalsContact CH2-ND2 3.3Å; W99-N695 WeakPolarHBondContact CH2-ND2 3.5Å; S679-N695 CarbonylContact C-O 3.55Å; S679-N695 VanDerWaalsContact CA-O 3.31Å; S679-N695 WeakPolarHBondContact CA-O 3.3Å; V680-N695 HydrophobicContact CB-CB 4.25Å; V680-N695 HydrophobicContact CG2-CB 4.12Å; V680-N695 PolarHBondContact N-O 2.77Å; V680-N695 PolarHBondContact O-N 2.9Å; V680-N695 VanDerWaalsContact O-N 3.15Å; N695-G697 VanDerWaalsContact C-N 3.27Å; N695-G697 PolarHBondContact O-N 2.85Å; N695-G697 PolarHBondContact OD1-N 2.58Å
696	A	87.8	Confident	90.6	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	27%	0.271	C	S	.	.			trans	-77	-6.7	178.5	0	0	0	0	0	114.3	Y648 S679 V693 D698 R701	Y648-A696 HydrophobicContact CD1-CB 3.65Å; Y648-A696 HydrophobicContact CE1-CB 4.41Å; Y648-A696 HydrophobicContact CG-CB 4.3Å; S679-A696 PolarHBondContact OG-O 3.01Å; V693-A696 HydrophobicContact CG1-CB 3.91Å; A696-D698 VanDerWaalsContact C-N 3.31Å; A696-D698 WeakPolarHBondContact CB-OD1 3.3Å; A696-D698 WeakPolarHBondContact CB-OD2 3.36Å; A696-D698 PolarHBondContact O-N 3.37Å; A696-R701 VanDerWaalsContact O-CZ 3.27Å; A696-R701 PolarHBondContact O-NH1 2.87Å; A696-R701 PolarHBondContact O-NH2 3.31Å
697	G	89.2	Confident	90.6	Very high	4 Å²	4	46 Å²	46	4%	0.041	24%	0.238	C	C	.	.			trans	77.2	9.1	178.2	0	0	0	0	0	115.3	N695 V699 L700 R701	N695-G697 VanDerWaalsContact C-N 3.27Å; N695-G697 PolarHBondContact O-N 2.85Å; N695-G697 PolarHBondContact OD1-N 2.58Å; G697-V699 VanDerWaalsContact C-N 3.28Å; G697-V699 PolarHBondContact O-N 2.6Å; G697-V699 VanDerWaalsContact O-N 3.12Å; G697-L700 WeakPolarHBondContact O-CA 3.29Å; G697-L700 WeakPolarHBondContact O-CB 3.47Å; G697-L700 PolarHBondContact O-N 2.91Å; G697-R701 PolarHBondContact O-N 2.82Å
698	D	86	Confident	90.6	Very high	66 Å²	66	43.7 Å²	43.7	35%	0.353	22%	0.222	S	C	.	.	H	α-helix	trans	-54.3	-38.5	-169.2	-45.9	-53.5	0	0	0	113.8	A696 L700 R701 H702	A696-D698 VanDerWaalsContact C-N 3.31Å; A696-D698 WeakPolarHBondContact CB-OD1 3.3Å; A696-D698 WeakPolarHBondContact CB-OD2 3.36Å; A696-D698 PolarHBondContact O-N 3.37Å; D698-L700 VanDerWaalsContact C-N 3.28Å; D698-L700 PolarHBondContact O-N 2.93Å; D698-R701 PolarHBondContact O-N 2.75Å; D698-R701 IonicContact OD1-NH1 3.12Å; D698-R701 PolarHBondContact OD1-NH1 3.26Å; D698-H702 WeakPolarHBondContact O-CB 3.45Å; D698-H702 PolarHBondContact O-N 3.44Å
699	V	88.1	Confident	90.4	Very high	101 Å²	101	45.1 Å²	45.1	61%	0.612	23%	0.229	S	C	*	.	H	α-helix	trans	-62.9	-34.7	178	179.9	0	0	0	0	111.9	G697 R703	G697-V699 VanDerWaalsContact C-N 3.28Å; G697-V699 PolarHBondContact O-N 2.6Å; G697-V699 VanDerWaalsContact O-N 3.12Å; V699-R703 WeakPolarHBondContact O-CD 3.47Å; V699-R703 VanDerWaalsContact O-CG 3.27Å; V699-R703 WeakPolarHBondContact O-CG 3.4Å; V699-R703 PolarHBondContact O-N 2.86Å
700	L	90.8	Very high	90.4	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-78.3	-46.2	174.8	175.7	57.5	0	0	0	110.5	L97 W99 G697 D698 H702 R703 L704 F762	L97-L700 HydrophobicContact CB-CD1 4.45Å; L97-L700 HydrophobicContact CD2-CD1 4.32Å; L97-L700 VanDerWaalsContact O-CD1 3.24Å; L97-L700 WeakPolarHBondContact O-CD1 3.41Å; W99-L700 HydrophobicContact CB-CD2 4.38Å; W99-L700 HydrophobicContact CE3-CD2 4.07Å; G697-L700 WeakPolarHBondContact O-CA 3.29Å; G697-L700 WeakPolarHBondContact O-CB 3.47Å; G697-L700 PolarHBondContact O-N 2.91Å; D698-L700 VanDerWaalsContact C-N 3.28Å; D698-L700 PolarHBondContact O-N 2.93Å; L700-H702 VanDerWaalsContact C-N 3.32Å; L700-H702 PolarHBondContact O-N 3.17Å; L700-R703 WeakPolarHBondContact O-CB 3.26Å; L700-R703 PolarHBondContact O-N 2.82Å; L700-R703 VanDerWaalsContact O-N 3.13Å; L700-L704 HydrophobicContact CD1-CD1 3.99Å; L700-L704 HydrophobicContact CD1-CG 4.09Å; L700-L704 HydrophobicContact CG-CD1 3.89Å; L700-L704 HydrophobicContact CG-CG 4.46Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.88Å; L700-F762 HydrophobicContact CD2-CE1 3.98Å; L700-F762 HydrophobicContact CD2-CZ 4.3Å
701	R	89.3	Confident	90.3	Very high	29 Å²	29	48.4 Å²	48.4	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-40.8	179.1	-162.8	174.4	-63.6	101.3	8.5	112.2	D649 A677 S679 A696 G697 D698 L704 S705	D649-R701 PolarHBondContact O-NH1 3.17Å; D649-R701 WeakPolarHBondContact OD2-CD 3.28Å; D649-R701 IonicContact OD2-NE 3.55Å; A677-R701 HydrophobicContact CB-CB 4.16Å; A677-R701 HydrophobicContact CB-CG 4.28Å; A677-R701 PolarHBondContact O-NH2 3.48Å; S679-R701 PolarHBondContact OG-NH2 2.89Å; S679-R701 VanDerWaalsContact OG-NH2 3.1Å; A696-R701 VanDerWaalsContact O-CZ 3.27Å; A696-R701 PolarHBondContact O-NH1 2.87Å; A696-R701 PolarHBondContact O-NH2 3.31Å; G697-R701 PolarHBondContact O-N 2.82Å; D698-R701 PolarHBondContact O-N 2.75Å; D698-R701 IonicContact OD1-NH1 3.12Å; D698-R701 PolarHBondContact OD1-NH1 3.26Å; R701-L704 PolarHBondContact O-N 3.49Å; R701-S705 PolarHBondContact O-N 3.12Å
702	H	88.1	Confident	90.2	Very high	115 Å²	115	49.8 Å²	49.8	53%	0.532	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-43.7	173.9	-176.4	78.8	0	0	0	112.1	D698 L700 L704 S705 Q706	D698-H702 WeakPolarHBondContact O-CB 3.45Å; D698-H702 PolarHBondContact O-N 3.44Å; L700-H702 VanDerWaalsContact C-N 3.32Å; L700-H702 PolarHBondContact O-N 3.17Å; H702-L704 PolarHBondContact O-N 3.14Å; H702-S705 PolarHBondContact O-N 3.34Å; H702-S705 PolarHBondContact O-OG 3.46Å; H702-Q706 PolarHBondContact CD2-NE2 3.27Å; H702-Q706 PolarHBondContact NE2-NE2 3.05Å
703	R	90.8	Very high	90.3	Very high	111 Å²	111	50.8 Å²	50.8	42%	0.419	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-44.2	174.6	-73.6	170.1	-176.7	174.2	4	111.7	S96 L97 V699 L700 S705 Q706	S96-R703 PolarHBondContact O-NH1 3.04Å; L97-R703 HydrophobicContact CD2-CB 3.84Å; V699-R703 WeakPolarHBondContact O-CD 3.47Å; V699-R703 VanDerWaalsContact O-CG 3.27Å; V699-R703 WeakPolarHBondContact O-CG 3.4Å; V699-R703 PolarHBondContact O-N 2.86Å; L700-R703 WeakPolarHBondContact O-CB 3.26Å; L700-R703 PolarHBondContact O-N 2.82Å; L700-R703 VanDerWaalsContact O-N 3.13Å; R703-S705 VanDerWaalsContact C-N 3.32Å; R703-S705 PolarHBondContact O-N 3.34Å; R703-Q706 WeakPolarHBondContact O-CB 3.24Å; R703-Q706 PolarHBondContact O-N 3.25Å
704	L	91.1	Very high	90.6	Very high	16 Å²	16	52.7 Å²	52.7	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-34.7	177	-66.3	166.1	0	0	0	112.2	L97 A677 L700 R701 H702 Q706 L707 I709 F762 W768	L97-L704 HydrophobicContact CD2-CD2 4.3Å; A677-L704 HydrophobicContact CB-CD1 3.87Å; L700-L704 HydrophobicContact CD1-CD1 3.99Å; L700-L704 HydrophobicContact CD1-CG 4.09Å; L700-L704 HydrophobicContact CG-CD1 3.89Å; L700-L704 HydrophobicContact CG-CG 4.46Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.88Å; R701-L704 PolarHBondContact O-N 3.49Å; H702-L704 PolarHBondContact O-N 3.14Å; L704-Q706 PolarHBondContact O-N 3.35Å; L704-L707 PolarHBondContact O-N 3.24Å; L704-I709 HydrophobicContact CD2-CG2 4.26Å; L704-F762 HydrophobicContact CD1-CE2 3.82Å; L704-F762 HydrophobicContact CD1-CZ 3.7Å; L704-F762 HydrophobicContact CD2-CZ 4.33Å; L704-W768 HydrophobicContact CD2-CZ3 4.4Å
705	S	88.4	Confident	90.8	Very high	79 Å²	79	54 Å²	54	55%	0.552	28%	0.278	S	S	*	.	H	α-helix	trans	-65.9	-15.5	176.1	73.7	0	0	0	0	114.7	R701 H702 R703 L707	R701-S705 PolarHBondContact O-N 3.12Å; H702-S705 PolarHBondContact O-N 3.34Å; H702-S705 PolarHBondContact O-OG 3.46Å; R703-S705 VanDerWaalsContact C-N 3.32Å; R703-S705 PolarHBondContact O-N 3.34Å; S705-L707 VanDerWaalsContact C-N 3.33Å
706	Q	90.6	Very high	91	Very high	101 Å²	101	53.9 Å²	53.9	47%	0.472	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.3	173.8	-60.9	174.8	9.8	0	0	112.5	G84 R85 H702 R703 L704	G84-Q706 CarbonylContact C-O 3.59Å; G84-Q706 WeakPolarHBondContact CA-O 3.49Å; R85-Q706 PolarHBondContact N-O 3.06Å; H702-Q706 PolarHBondContact CD2-NE2 3.27Å; H702-Q706 PolarHBondContact NE2-NE2 3.05Å; R703-Q706 WeakPolarHBondContact O-CB 3.24Å; R703-Q706 PolarHBondContact O-N 3.25Å; L704-Q706 PolarHBondContact O-N 3.35Å
707	L	92.3	Very high	91.4	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-120.8	141.8	-172.7	-59.7	176	0	0	0	112	R83 R85 M87 L97 L704 S705 I709	R83-L707 CarbonylContact O-C 3.59Å; R85-L707 HydrophobicContact CG-CD2 3.78Å; R85-L707 VanDerWaalsContact CZ-CD2 3.45Å; R85-L707 CarbonylContact O-C 3.28Å; R85-L707 WeakPolarHBondContact O-CA 3.39Å; M87-L707 HydrophobicContact CE-CD1 3.83Å; M87-L707 HydrophobicContact CG-CD1 4.44Å; L97-L707 HydrophobicContact CD1-CD1 3.58Å; L97-L707 HydrophobicContact CD2-CD1 4.08Å; L97-L707 HydrophobicContact CG-CD1 4.47Å; L704-L707 PolarHBondContact O-N 3.24Å; S705-L707 VanDerWaalsContact C-N 3.33Å; L707-I709 HydrophobicContact CB-CG2 4.27Å; L707-I709 PolarHBondContact O-N 2.85Å
708	A	92.4	Very high	91.6	Very high	3 Å²	3	60.7 Å²	60.7	3%	0.025	31%	0.313	C	S	.	.			trans	-73.4	79	168.3	0	0	0	0	0	109.4	I82 R83 R85 R86 P733 S772	I82-A708 HydrophobicContact CG2-CB 3.37Å; R83-A708 PolarHBondContact O-N 2.85Å; R85-A708 PolarHBondContact O-N 3.47Å; R86-A708 HydrophobicContact CG-CB 4.4Å; A708-P733 HydrophobicContact CB-CB 3.88Å; A708-P733 HydrophobicContact CB-CG 3.91Å; A708-P733 WeakPolarHBondContact O-CG 3.42Å; A708-S772 WeakPolarHBondContact O-CB 3.02Å; A708-S772 PolarHBondContact O-OG 2.8Å
709	I	91.9	Very high	92	Very high	66 Å²	66	58.5 Å²	58.5	34%	0.338	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.3	144.6	177.8	62.9	175.1	0	0	0	111	L704 L707 W768	L704-I709 HydrophobicContact CD2-CG2 4.26Å; L707-I709 HydrophobicContact CB-CG2 4.27Å; L707-I709 PolarHBondContact O-N 2.85Å; I709-W768 HydrophobicContact CB-CE3 4.43Å; I709-W768 HydrophobicContact CB-CZ3 3.93Å; I709-W768 HydrophobicContact CG2-CE3 4.4Å; I709-W768 HydrophobicContact CG2-CZ3 3.81Å
710	P	93.6	Very high	91.9	Very high	12 Å²	12	61.5 Å²	61.5	8%	0.078	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-68.5	158.5	176.7	32.2	-37.8	0	0	0	111.7	F730 L731 W768 A771	P710-F730 HydrophobicContact CB-CB 4.34Å; P710-F730 HydrophobicContact CG-CD1 4.24Å; P710-L731 WeakPolarHBondContact CA-O 3.18Å; P710-L731 WeakPolarHBondContact CB-O 3.16Å; P710-W768 VanDerWaalsContact CD-CE3 3.47Å; P710-W768 HydrophobicContact CG-CB 4.16Å; P710-W768 HydrophobicContact CG-CD2 3.74Å; P710-W768 HydrophobicContact CG-CE3 3.92Å; P710-W768 HydrophobicContact CG-CG 3.85Å; P710-A771 HydrophobicContact CB-CB 3.69Å
711	Q	91.4	Very high	91.6	Very high	87 Å²	87	68.2 Å²	68.2	41%	0.407	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.4	175.4	-54.2	179.5	86.2	0	0	108.7	L731 P732 M735	Q711-L731 HydrophobicContact CB-CB 4.29Å; Q711-L731 PolarHBondContact N-O 3.3Å; Q711-L731 PolarHBondContact O-N 3.22Å; Q711-P732 PolarHBondContact NE2-O 3.4Å; Q711-P732 VanDerWaalsContact NE2-O 3.14Å; Q711-M735 PolarHBondContact NE2-O 3.44Å
712	S	92.1	Very high	91.4	Very high	63 Å²	63	69.1 Å²	69.1	44%	0.441	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124	179.4	61.6	0	0	0	0	111.8	L729	S712-L729 CarbonylContact C-O 3.48Å; S712-L729 WeakPolarHBondContact CA-O 3.29Å
713	R	92.1	Very high	91.5	Very high	92 Å²	92	65.1 Å²	65.1	35%	0.347	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.4	175.1	-176.2	-178.1	173.1	178.9	1.1	110.4	F715 R728 L729 E737	R713-F715 HydrophobicContact CG-CD1 4.16Å; R713-R728 WeakPolarHBondContact O-CA 3.45Å; R713-L729 PolarHBondContact N-O 2.83Å; R713-L729 PolarHBondContact O-N 2.73Å; R713-E737 WeakPolarHBondContact CD-OE1 3.27Å; R713-E737 IonicContact CZ-OE1 3.36Å; R713-E737 IonicContact CZ-OE2 3.92Å; R713-E737 IonicContact NE-OE1 3.54Å; R713-E737 IonicContact NH1-OE1 3.55Å; R713-E737 PolarHBondContact NH1-OE1 3.23Å; R713-E737 IonicContact NH1-OE2 4Å; R713-E737 PolarHBondContact NH1-OE2 3.19Å
714	T	94.9	Very high	91.6	Very high	51 Å²	51	63.1 Å²	63.1	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.8	176.9	-48.7	0	0	0	0	110.2	V727 V758 E760	T714-V727 CarbonylContact C-O 3.52Å; T714-V727 WeakPolarHBondContact CA-O 3.25Å; T714-V758 HydrophobicContact CG2-CG1 3.74Å; T714-E760 VanDerWaalsContact CB-OE1 3.31Å; T714-E760 WeakPolarHBondContact CB-OE1 3.27Å; T714-E760 PolarHBondContact OG1-OE1 3.11Å
715	F	95.1	Very high	91.9	Very high	40 Å²	40	62.4 Å²	62.4	18%	0.175	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.5	176.2	60.7	-84.3	0	0	0	112.4	R713 V717 V727 L729 Y815 L816	R713-F715 HydrophobicContact CG-CD1 4.16Å; F715-V717 HydrophobicContact CD2-CG2 3.98Å; F715-V717 HydrophobicContact CE2-CG2 3.67Å; F715-V727 HydrophobicContact CD2-CB 4.4Å; F715-V727 HydrophobicContact CE1-CB 4.34Å; F715-V727 HydrophobicContact CE1-CG1 4.16Å; F715-V727 HydrophobicContact CE2-CB 4.11Å; F715-V727 HydrophobicContact CE2-CG1 4.37Å; F715-V727 HydrophobicContact CE2-CG2 4.4Å; F715-V727 HydrophobicContact CZ-CB 4.09Å; F715-V727 HydrophobicContact CZ-CG1 3.9Å; F715-V727 PolarHBondContact N-O 3.18Å; F715-V727 PolarHBondContact O-N 3.35Å; F715-L729 HydrophobicContact CE1-CD1 3.88Å; F715-L729 HydrophobicContact CE1-CG 4.01Å; F715-L729 HydrophobicContact CZ-CD1 4.22Å; F715-Y815 HydrophobicContact CE2-CE1 4.36Å; F715-L816 HydrophobicContact CE2-CD2 4.29Å; F715-L816 HydrophobicContact CZ-CD2 3.74Å
716	S	95.6	Very high	92.3	Very high	68 Å²	68	59.2 Å²	59.2	48%	0.476	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.4	178.1	59.9	0	0	0	0	112.5	A725	S716-A725 CarbonylContact C-O 3.59Å; S716-A725 VanDerWaalsContact CA-O 3.31Å; S716-A725 WeakPolarHBondContact CA-O 3.36Å
717	V	95.8	Very high	92.7	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.6	172.6	178.9	0	0	0	0	109.1	F715 H724 A725 V727 V812 Y815	F715-V717 HydrophobicContact CD2-CG2 3.98Å; F715-V717 HydrophobicContact CE2-CG2 3.67Å; V717-H724 CarbonylContact O-C 3.56Å; V717-H724 VanDerWaalsContact O-CA 3.29Å; V717-H724 WeakPolarHBondContact O-CA 3.22Å; V717-A725 PolarHBondContact N-O 2.91Å; V717-A725 PolarHBondContact O-N 2.78Å; V717-V727 HydrophobicContact CB-CG2 4.39Å; V717-V727 HydrophobicContact CG2-CG2 3.72Å; V717-V812 HydrophobicContact CB-CG2 4.39Å; V717-V812 HydrophobicContact CG1-CG2 4.24Å; V717-V812 HydrophobicContact CG2-CG1 4.38Å; V717-Y815 HydrophobicContact CG1-CD1 3.9Å; V717-Y815 HydrophobicContact CG1-CD2 4.46Å; V717-Y815 HydrophobicContact CG1-CE1 4.29Å; V717-Y815 HydrophobicContact CG1-CG 4Å; V717-Y815 HydrophobicContact CG2-CD1 3.8Å; V717-Y815 HydrophobicContact CG2-CE1 3.75Å
718	E	94.1	Very high	92.9	Very high	140 Å²	140	54.9 Å²	54.9	65%	0.654	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	133.4	173.6	-168.4	174.7	155.7	0	0	110.9	H724	E718-H724 IonicContact OE2-CE1 3.28Å
719	I	92.9	Very high	93.1	Very high	19 Å²	19	54.7 Å²	54.7	10%	0.097	28%	0.277	C	S	.	.			trans	-124.1	175.2	-177.8	52.7	161.3	0	0	0	110.4	H721 G722 F723 A725 R784 D808 V812	I719-H721 PolarHBondContact O-N 2.82Å; I719-G722 PolarHBondContact O-N 2.87Å; I719-F723 HydrophobicContact CD1-CB 3.73Å; I719-F723 HydrophobicContact CG1-CB 3.74Å; I719-F723 WeakPolarHBondContact CG1-O 3.44Å; I719-F723 PolarHBondContact N-O 2.91Å; I719-A725 HydrophobicContact CD1-CB 4.29Å; I719-A725 HydrophobicContact CG2-CB 3.98Å; I719-R784 HydrophobicContact CD1-CG 4.07Å; I719-D808 HydrophobicContact CD1-CB 4.47Å; I719-D808 VanDerWaalsContact CD1-CG 3.43Å; I719-D808 WeakPolarHBondContact CD1-OD1 3.42Å; I719-D808 WeakPolarHBondContact CD1-OD2 3.21Å; I719-V812 HydrophobicContact CG2-CG2 3.66Å
720	R	86.5	Confident	93.4	Very high	164 Å²	164	51.8 Å²	51.8	62%	0.619	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-54.5	141.8	-173.9	-69.7	178.7	173.1	-164.1	-3.5	111.9	G722 E807	R720-G722 VanDerWaalsContact C-N 3.33Å; R720-E807 WeakPolarHBondContact CD-OE1 3.48Å; R720-E807 IonicContact CZ-OE1 3.05Å; R720-E807 IonicContact NE-OE1 2.68Å; R720-E807 IonicContact NH1-OE1 3.84Å; R720-E807 PolarHBondContact NH1-OE1 3.34Å
721	H	84.2	Confident	93.4	Very high	156 Å²	156	51.6 Å²	51.6	72%	0.722	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	68.7	19.4	-178.5	-42	92.9	0	0	0	115.5	I719 F723	I719-H721 PolarHBondContact O-N 2.82Å; H721-F723 VanDerWaalsContact C-N 3.33Å; H721-F723 HydrophobicContact CB-CD2 4.19Å; H721-F723 HydrophobicContact CB-CE2 4.17Å; H721-F723 PolarHBondContact O-N 2.87Å
722	G	84.5	Confident	93.5	Very high	48 Å²	48	47.6 Å²	47.6	50%	0.495	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	77.4	16.9	172.4	0	0	0	0	0	114.4	I719 R720	I719-G722 PolarHBondContact O-N 2.87Å; R720-G722 VanDerWaalsContact C-N 3.33Å
723	F	91.4	Very high	93.5	Very high	31 Å²	31	45.1 Å²	45.1	14%	0.136	22%	0.224	C	C	.	.			trans	-77.7	160.6	164.9	-63.6	-76.3	0	0	0	110	I719 H721 R784 L792 L793 Q796	I719-F723 HydrophobicContact CD1-CB 3.73Å; I719-F723 HydrophobicContact CG1-CB 3.74Å; I719-F723 WeakPolarHBondContact CG1-O 3.44Å; I719-F723 PolarHBondContact N-O 2.91Å; H721-F723 VanDerWaalsContact C-N 3.33Å; H721-F723 HydrophobicContact CB-CD2 4.19Å; H721-F723 HydrophobicContact CB-CE2 4.17Å; H721-F723 PolarHBondContact O-N 2.87Å; F723-R784 HydrophobicContact CB-CG 4.45Å; F723-R784 HydrophobicContact CD2-CG 4.02Å; F723-R784 HydrophobicContact CE2-CG 4.43Å; F723-R784 HydrophobicContact CG-CG 4.18Å; F723-L792 HydrophobicContact CE1-CD2 4.36Å; F723-L792 HydrophobicContact CE1-CG 4.01Å; F723-L792 HydrophobicContact CZ-CD2 4.49Å; F723-L792 HydrophobicContact CZ-CG 4.05Å; F723-L793 HydrophobicContact CB-CD1 4.37Å; F723-L793 HydrophobicContact CD1-CB 3.92Å; F723-L793 HydrophobicContact CD1-CD1 3.98Å; F723-L793 HydrophobicContact CD1-CG 4.12Å; F723-L793 HydrophobicContact CE1-CB 3.93Å; F723-Q796 HydrophobicContact CE2-CG 4.17Å; F723-Q796 HydrophobicContact CZ-CG 3.91Å
724	H	93.5	Very high	93.1	Very high	70 Å²	70	42.2 Å²	42.2	32%	0.324	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.9	170.9	-64.8	-72.4	0	0	0	110	V717 E718 Q789	V717-H724 CarbonylContact O-C 3.56Å; V717-H724 VanDerWaalsContact O-CA 3.29Å; V717-H724 WeakPolarHBondContact O-CA 3.22Å; E718-H724 IonicContact OE2-CE1 3.28Å; H724-Q789 PolarHBondContact O-NE2 2.73Å
725	A	96.4	Very high	92.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	146.5	167.5	0	0	0	0	0	109.7	S716 V717 I719 I781 D782 V812	S716-A725 CarbonylContact C-O 3.59Å; S716-A725 VanDerWaalsContact CA-O 3.31Å; S716-A725 WeakPolarHBondContact CA-O 3.36Å; V717-A725 PolarHBondContact N-O 2.91Å; V717-A725 PolarHBondContact O-N 2.78Å; I719-A725 HydrophobicContact CD1-CB 4.29Å; I719-A725 HydrophobicContact CG2-CB 3.98Å; A725-I781 HydrophobicContact CB-CG2 4.39Å; A725-D782 CarbonylContact C-O 3.58Å; A725-D782 WeakPolarHBondContact CA-O 3.39Å; A725-D782 WeakPolarHBondContact CB-O 3.44Å; A725-V812 HydrophobicContact CB-CG2 3.84Å
726	Q	97.3	Very high	92	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	141.8	169.9	-56	-63.9	-35	0	0	109.5	P581 V758 I781 D782	P581-Q726 HydrophobicContact CG-CG 3.59Å; Q726-V758 HydrophobicContact CB-CB 4.04Å; Q726-V758 HydrophobicContact CB-CG1 3.83Å; Q726-V758 HydrophobicContact CB-CG2 4.37Å; Q726-I781 CarbonylContact O-C 3.55Å; Q726-I781 WeakPolarHBondContact O-CA 3.45Å; Q726-D782 HydrophobicContact CB-CB 4.39Å; Q726-D782 PolarHBondContact N-O 3.32Å; Q726-D782 PolarHBondContact O-N 3.29Å
727	V	97.8	Very high	91.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.1	179.9	-174.3	0	0	0	0	109.3	T714 F715 V717 L729 Q780 I781 V812 L816	T714-V727 CarbonylContact C-O 3.52Å; T714-V727 WeakPolarHBondContact CA-O 3.25Å; F715-V727 HydrophobicContact CD2-CB 4.4Å; F715-V727 HydrophobicContact CE1-CB 4.34Å; F715-V727 HydrophobicContact CE1-CG1 4.16Å; F715-V727 HydrophobicContact CE2-CB 4.11Å; F715-V727 HydrophobicContact CE2-CG1 4.37Å; F715-V727 HydrophobicContact CE2-CG2 4.4Å; F715-V727 HydrophobicContact CZ-CB 4.09Å; F715-V727 HydrophobicContact CZ-CG1 3.9Å; F715-V727 PolarHBondContact N-O 3.18Å; F715-V727 PolarHBondContact O-N 3.35Å; V717-V727 HydrophobicContact CB-CG2 4.39Å; V717-V727 HydrophobicContact CG2-CG2 3.72Å; V727-L729 HydrophobicContact CG1-CD2 4.13Å; V727-L729 HydrophobicContact CG1-CG 4.41Å; V727-Q780 WeakPolarHBondContact CA-O 3.34Å; V727-I781 HydrophobicContact CG1-CG1 4.44Å; V727-I781 HydrophobicContact CG2-CG1 4.43Å; V727-V812 HydrophobicContact CG2-CG1 3.54Å; V727-L816 HydrophobicContact CG1-CD1 4.24Å; V727-L816 HydrophobicContact CG1-CD2 4.24Å
728	R	97.5	Very high	90.1	Very high	19 Å²	19	53.1 Å²	53.1	7%	0.072	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.6	167	-162.5	-177.4	-156.5	-179.9	10.6	109.6	R713 V758 T759 E760 A779 Q780	R713-R728 WeakPolarHBondContact O-CA 3.45Å; R728-V758 HydrophobicContact CB-CG1 4.09Å; R728-V758 HydrophobicContact CB-CG2 4.12Å; R728-T759 PolarHBondContact NH1-O 2.85Å; R728-T759 PolarHBondContact NH2-O 3.09Å; R728-E760 IonicContact NH2-OE2 3.89Å; R728-A779 CarbonylContact O-C 3.56Å; R728-A779 WeakPolarHBondContact O-CA 3.23Å; R728-Q780 HydrophobicContact CB-CB 4.27Å; R728-Q780 PolarHBondContact N-O 2.94Å; R728-Q780 PolarHBondContact O-N 2.82Å
729	L	97.1	Very high	89.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.4	170.3	-57.1	-179.1	0	0	0	109.5	S712 R713 F715 V727 L731 I777 V778 A779 L816 L820	S712-L729 CarbonylContact C-O 3.48Å; S712-L729 WeakPolarHBondContact CA-O 3.29Å; R713-L729 PolarHBondContact N-O 2.83Å; R713-L729 PolarHBondContact O-N 2.73Å; F715-L729 HydrophobicContact CE1-CD1 3.88Å; F715-L729 HydrophobicContact CE1-CG 4.01Å; F715-L729 HydrophobicContact CZ-CD1 4.22Å; V727-L729 HydrophobicContact CG1-CD2 4.13Å; V727-L729 HydrophobicContact CG1-CG 4.41Å; L729-L731 HydrophobicContact CB-CD2 4.05Å; L729-L731 HydrophobicContact CB-CG 4.42Å; L729-L731 HydrophobicContact CD1-CD2 4.34Å; L729-I777 HydrophobicContact CD2-CG2 4.29Å; L729-V778 CarbonylContact C-O 3.51Å; L729-V778 WeakPolarHBondContact CA-O 3.44Å; L729-A779 HydrophobicContact CD2-CB 3.71Å; L729-L816 HydrophobicContact CD2-CD1 4.32Å; L729-L820 HydrophobicContact CD1-CD1 3.77Å
730	F	96.8	Very high	88.3	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.4	161.1	-60.6	-84.3	0	0	0	107.8	P710 N767 W768 A771 V778 Q780	P710-F730 HydrophobicContact CB-CB 4.34Å; P710-F730 HydrophobicContact CG-CD1 4.24Å; F730-N767 HydrophobicContact CD2-CB 4.1Å; F730-N767 HydrophobicContact CE2-CB 4.17Å; F730-W768 AromaticContact CE1-CD1 3.98Å; F730-W768 AromaticContact CE1-NE1 3.56Å; F730-A771 HydrophobicContact CB-CB 4Å; F730-V778 HydrophobicContact CB-CB 4.29Å; F730-V778 HydrophobicContact CD2-CB 4.24Å; F730-V778 PolarHBondContact N-O 3.04Å; F730-V778 PolarHBondContact O-N 2.98Å; F730-V778 VanDerWaalsContact O-N 3.09Å; F730-Q780 HydrophobicContact CE2-CG 4.37Å
731	L	94.6	Very high	88.1	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.7	179.2	-53.9	176.7	0	0	0	110.4	P710 Q711 L729 M735 I777 F822	P710-L731 WeakPolarHBondContact CA-O 3.18Å; P710-L731 WeakPolarHBondContact CB-O 3.16Å; Q711-L731 HydrophobicContact CB-CB 4.29Å; Q711-L731 PolarHBondContact N-O 3.3Å; Q711-L731 PolarHBondContact O-N 3.22Å; L729-L731 HydrophobicContact CB-CD2 4.05Å; L729-L731 HydrophobicContact CB-CG 4.42Å; L729-L731 HydrophobicContact CD1-CD2 4.34Å; L731-M735 HydrophobicContact CB-SD 4.09Å; L731-M735 HydrophobicContact CD2-SD 4.4Å; L731-I777 HydrophobicContact CD2-CD1 4.22Å; L731-I777 HydrophobicContact CD2-CG1 4.06Å; L731-I777 HydrophobicContact CD2-CG2 4.13Å; L731-F822 HydrophobicContact CD2-CE2 4.1Å
732	P	94.2	Very high	88.4	Confident	4 Å²	4	45 Å²	45	3%	0.026	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-51.2	145.8	175	-29.9	34.6	0	0	0	114.6	Q711 G734 M735 F743 S775	Q711-P732 PolarHBondContact NE2-O 3.4Å; Q711-P732 VanDerWaalsContact NE2-O 3.14Å; P732-G734 PolarHBondContact O-N 3.24Å; P732-M735 HydrophobicContact CB-CB 4.24Å; P732-M735 HydrophobicContact CG-SD 4.31Å; P732-M735 WeakPolarHBondContact O-CB 3.29Å; P732-M735 PolarHBondContact O-N 2.76Å; P732-F743 HydrophobicContact CG-CD1 4.22Å; P732-F743 HydrophobicContact CG-CE1 4.37Å; P732-S775 WeakPolarHBondContact CG-O 3.34Å
733	P	91.4	Very high	88.8	Confident	10 Å²	10	43.9 Å²	43.9	7%	0.065	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	125.6	178.1	-20.6	30.4	0	0	0	111.9	I82 A708 M735 A771	I82-P733 WeakPolarHBondContact CD1-O 3.33Å; I82-P733 HydrophobicContact CG2-CB 4.17Å; A708-P733 HydrophobicContact CB-CB 3.88Å; A708-P733 HydrophobicContact CB-CG 3.91Å; A708-P733 WeakPolarHBondContact O-CG 3.42Å; P733-M735 VanDerWaalsContact C-N 3.3Å; P733-M735 PolarHBondContact O-N 3.16Å; P733-A771 VanDerWaalsContact CD-O 3.26Å; P733-A771 WeakPolarHBondContact CD-O 3.38Å
734	G	84.1	Confident	89	Confident	32 Å²	32	42.8 Å²	42.8	33%	0.33	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-11.9	177.1	0	0	0	0	0	115.7	L80 P732	L80-G734 VanDerWaalsContact CD2-O 3.28Å; L80-G734 WeakPolarHBondContact CD2-O 3.5Å; P732-G734 PolarHBondContact O-N 3.24Å
735	M	86.3	Confident	89.2	Confident	16 Å²	16	39.5 Å²	39.5	8%	0.079	20%	0.204	C	C	.	.			trans	-54.8	140	174.5	177.2	-169.1	173.5	0	0	112	Q711 L731 P732 P733 F743 I777 F822	Q711-M735 PolarHBondContact NE2-O 3.44Å; L731-M735 HydrophobicContact CB-SD 4.09Å; L731-M735 HydrophobicContact CD2-SD 4.4Å; P732-M735 HydrophobicContact CB-CB 4.24Å; P732-M735 HydrophobicContact CG-SD 4.31Å; P732-M735 WeakPolarHBondContact O-CB 3.29Å; P732-M735 PolarHBondContact O-N 2.76Å; P733-M735 VanDerWaalsContact C-N 3.3Å; P733-M735 PolarHBondContact O-N 3.16Å; M735-F743 HydrophobicContact CE-CD2 3.78Å; M735-F743 HydrophobicContact CE-CE2 3.77Å; M735-F743 HydrophobicContact CG-CE2 3.92Å; M735-F743 HydrophobicContact CG-CZ 4.33Å; M735-F743 HydrophobicContact SD-CD2 3.98Å; M735-F743 HydrophobicContact SD-CE2 3.81Å; M735-F743 HydrophobicContact SD-CZ 4.5Å; M735-I777 HydrophobicContact CE-CD1 4.39Å; M735-F822 HydrophobicContact CE-CB 3.39Å; M735-F822 HydrophobicContact CE-CD1 3.96Å; M735-F822 HydrophobicContact CE-CD2 3.61Å; M735-F822 HydrophobicContact CE-CE2 4.33Å; M735-F822 HydrophobicContact CE-CG 3.38Å
736	R	81	Confident	89.3	Confident	141 Å²	141	39.5 Å²	39.5	53%	0.532	20%	0.204	S	C	.	.			trans	-110.3	143.3	169.2	-57	174.6	66	154.1	-2.9	110.6	E738 E739	R736-E738 IonicContact CZ-OE2 3.2Å; R736-E738 VanDerWaalsContact CZ-OE2 3.28Å; R736-E738 IonicContact NE-OE2 3.38Å; R736-E738 PolarHBondContact NE-OE2 2.9Å; R736-E738 IonicContact NH2-OE2 3.22Å; R736-E738 PolarHBondContact NH2-OE2 3.43Å; R736-E738 PolarHBondContact O-N 3.27Å; R736-E739 HydrophobicContact CB-CG 4.07Å; R736-E739 VanDerWaalsContact CD-OE1 3.3Å; R736-E739 WeakPolarHBondContact CD-OE1 3.5Å; R736-E739 WeakPolarHBondContact CG-OE1 3.46Å; R736-E739 PolarHBondContact N-OE2 3.14Å; R736-E739 PolarHBondContact O-N 3.42Å
737	E	75.2	Confident	89.4	Confident	96 Å²	96	38.9 Å²	38.9	45%	0.449	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.9	177.2	-55.4	-172.4	178.2	0	0	113.5	R713 F822	R713-E737 WeakPolarHBondContact CD-OE1 3.27Å; R713-E737 IonicContact CZ-OE1 3.36Å; R713-E737 IonicContact CZ-OE2 3.92Å; R713-E737 IonicContact NE-OE1 3.54Å; R713-E737 IonicContact NH1-OE1 3.55Å; R713-E737 PolarHBondContact NH1-OE1 3.23Å; R713-E737 IonicContact NH1-OE2 4Å; R713-E737 PolarHBondContact NH1-OE2 3.19Å; E737-F822 HydrophobicContact CB-CD1 4.19Å; E737-F822 HydrophobicContact CB-CE1 3.94Å; E737-F822 HydrophobicContact CG-CD1 4.4Å; E737-F822 HydrophobicContact CG-CE1 3.83Å
738	E	76.1	Confident	89.4	Confident	146 Å²	146	40.7 Å²	40.7	68%	0.682	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-10.4	-179.4	-59	164.8	131.5	0	0	112.6	R736	R736-E738 IonicContact CZ-OE2 3.2Å; R736-E738 VanDerWaalsContact CZ-OE2 3.28Å; R736-E738 IonicContact NE-OE2 3.38Å; R736-E738 PolarHBondContact NE-OE2 2.9Å; R736-E738 IonicContact NH2-OE2 3.22Å; R736-E738 PolarHBondContact NH2-OE2 3.43Å; R736-E738 PolarHBondContact O-N 3.27Å
739	E	71.7	Confident	89.4	Confident	64 Å²	64	39.8 Å²	39.8	30%	0.299	21%	0.206	S	C	.	.	S	Bend	trans	-85.3	131.1	179.3	-70.4	160.5	-173.2	0	0	109.8	R736 V741	R736-E739 HydrophobicContact CB-CG 4.07Å; R736-E739 VanDerWaalsContact CD-OE1 3.3Å; R736-E739 WeakPolarHBondContact CD-OE1 3.5Å; R736-E739 WeakPolarHBondContact CG-OE1 3.46Å; R736-E739 PolarHBondContact N-OE2 3.14Å; R736-E739 PolarHBondContact O-N 3.42Å; E739-V741 HydrophobicContact CB-CG2 4.42Å; E739-V741 PolarHBondContact O-N 3.01Å
740	D	75.8	Confident	89.4	Confident	137 Å²	137	41.7 Å²	41.7	73%	0.733	22%	0.216	S	C	*	.			trans	-74.5	28.8	178.5	-68.9	-60.7	0	0	0	113.1	K821	D740-K821 IonicContact OD1-NZ 3.47Å; D740-K821 PolarHBondContact OD1-NZ 3.11Å
741	V	83.9	Confident	89.3	Confident	70 Å²	70	42.2 Å²	42.2	42%	0.424	22%	0.221	S	C	.	.			trans	-92.2	121.8	179.4	-178.4	0	0	0	0	110.2	E739 F743	E739-V741 HydrophobicContact CB-CG2 4.42Å; E739-V741 PolarHBondContact O-N 3.01Å; V741-F743 HydrophobicContact CB-CE2 3.98Å; V741-F743 HydrophobicContact CB-CZ 4.22Å; V741-F743 HydrophobicContact CG1-CD2 4.34Å; V741-F743 HydrophobicContact CG1-CE1 4.17Å; V741-F743 HydrophobicContact CG1-CE2 3.69Å; V741-F743 HydrophobicContact CG1-CZ 3.6Å; V741-F743 WeakPolarHBondContact O-CD2 3.26Å; V741-F743 WeakPolarHBondContact O-CE2 3.34Å
742	A	90.2	Very high	89.3	Confident	37 Å²	37	43.2 Å²	43.2	31%	0.306	23%	0.229	S	C	.	.			trans	-96.2	125.8	178.9	0	0	0	0	0	112.4	D824 R827	A742-D824 HydrophobicContact CB-CB 4.09Å; A742-R827 PolarHBondContact O-NH2 3.22Å
743	F	93.3	Very high	89.2	Confident	24 Å²	24	43.4 Å²	43.4	11%	0.105	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.9	-178	-62.6	-89.1	0	0	0	111.6	P732 M735 V741 S775 I777 F822 D824	P732-F743 HydrophobicContact CG-CD1 4.22Å; P732-F743 HydrophobicContact CG-CE1 4.37Å; M735-F743 HydrophobicContact CE-CD2 3.78Å; M735-F743 HydrophobicContact CE-CE2 3.77Å; M735-F743 HydrophobicContact CG-CE2 3.92Å; M735-F743 HydrophobicContact CG-CZ 4.33Å; M735-F743 HydrophobicContact SD-CD2 3.98Å; M735-F743 HydrophobicContact SD-CE2 3.81Å; M735-F743 HydrophobicContact SD-CZ 4.5Å; V741-F743 HydrophobicContact CB-CE2 3.98Å; V741-F743 HydrophobicContact CB-CZ 4.22Å; V741-F743 HydrophobicContact CG1-CD2 4.34Å; V741-F743 HydrophobicContact CG1-CE1 4.17Å; V741-F743 HydrophobicContact CG1-CE2 3.69Å; V741-F743 HydrophobicContact CG1-CZ 3.6Å; V741-F743 WeakPolarHBondContact O-CD2 3.26Å; V741-F743 WeakPolarHBondContact O-CE2 3.34Å; F743-S775 VanDerWaalsContact CD1-O 3.25Å; F743-S775 WeakPolarHBondContact CD1-O 3.1Å; F743-I777 HydrophobicContact CB-CD1 3.91Å; F743-I777 HydrophobicContact CB-CG1 4Å; F743-F822 PolarHBondContact N-O 3Å; F743-D824 PolarHBondContact O-N 2.93Å
744	P	95.9	Very high	89.2	Confident	9 Å²	9	44.5 Å²	44.5	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	145.5	170	-22.3	33.4	0	0	0	111.9	F776 I777 R827 F964	P744-F776 HydrophobicContact CB-CD1 3.86Å; P744-F776 HydrophobicContact CB-CE1 4.25Å; P744-F776 HydrophobicContact CB-CG 4.33Å; P744-F776 HydrophobicContact CG-CD1 3.83Å; P744-F776 HydrophobicContact CG-CE1 3.98Å; P744-I777 PolarHBondContact O-N 2.79Å; P744-R827 CarbonylContact C-O 3.49Å; P744-R827 VanDerWaalsContact CA-O 3.3Å; P744-R827 WeakPolarHBondContact CA-O 3.47Å; P744-R827 HydrophobicContact CB-CB 3.92Å; P744-R827 HydrophobicContact CG-CB 4.19Å; P744-F964 HydrophobicContact CB-CD2 3.95Å; P744-F964 HydrophobicContact CB-CE2 3.58Å; P744-F964 HydrophobicContact CB-CZ 3.89Å; P744-F964 HydrophobicContact CG-CD2 4.33Å; P744-F964 HydrophobicContact CG-CE2 4.39Å
745	L	97.5	Very high	89.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.7	172.6	-173.7	149.2	0	0	0	111.9	L747 I777 A779 L813 I823 R827 I828 C829	L745-L747 HydrophobicContact CD2-CB 4.14Å; L745-I777 CarbonylContact C-O 3.6Å; L745-I777 WeakPolarHBondContact CA-O 3.24Å; L745-I777 HydrophobicContact CD1-CG2 4.07Å; L745-I777 HydrophobicContact CG-CG2 4.37Å; L745-A779 HydrophobicContact CD1-CB 4.11Å; L745-A779 HydrophobicContact CD2-CB 4.17Å; L745-A779 HydrophobicContact CG-CB 4.35Å; L745-L813 HydrophobicContact CD2-CD1 3.75Å; L745-I823 HydrophobicContact CB-CG2 4.02Å; L745-I823 HydrophobicContact CD1-CD1 3.57Å; L745-I823 HydrophobicContact CD1-CG1 4.12Å; L745-I823 HydrophobicContact CD1-CG2 4.15Å; L745-R827 PolarHBondContact N-O 2.7Å; L745-I828 HydrophobicContact CB-CG1 4.43Å; L745-I828 HydrophobicContact CD2-CG2 3.94Å; L745-I828 WeakPolarHBondContact O-CA 3.49Å; L745-C829 PolarHBondContact O-N 2.77Å
746	V	98.3	Very high	90	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.7	168.4	179.8	0	0	0	0	108.7	L770 F776 I777 V778 A779 C829 F831 F960 F964	V746-L770 HydrophobicContact CB-CD1 4.4Å; V746-L770 HydrophobicContact CG1-CD1 4.18Å; V746-L770 HydrophobicContact CG2-CD1 4.44Å; V746-F776 HydrophobicContact CG2-CB 4.39Å; V746-F776 HydrophobicContact CG2-CD2 3.83Å; V746-F776 HydrophobicContact CG2-CG 4.46Å; V746-I777 PolarHBondContact N-O 3.4Å; V746-V778 VanDerWaalsContact O-CA 3.31Å; V746-V778 WeakPolarHBondContact O-CA 3.23Å; V746-A779 PolarHBondContact O-N 2.92Å; V746-C829 CarbonylContact C-O 3.59Å; V746-C829 WeakPolarHBondContact CA-O 3.48Å; V746-F831 HydrophobicContact CG1-CD1 3.48Å; V746-F831 VanDerWaalsContact CG1-CD1 3.48Å; V746-F831 HydrophobicContact CG1-CE1 3.62Å; V746-F960 HydrophobicContact CB-CE2 4.44Å; V746-F960 HydrophobicContact CG1-CE2 3.61Å; V746-F960 HydrophobicContact CG1-CZ 3.66Å; V746-F960 HydrophobicContact CG2-CD2 3.97Å; V746-F960 HydrophobicContact CG2-CE2 3.89Å; V746-F960 HydrophobicContact CG2-CZ 4.42Å; V746-F964 HydrophobicContact CG2-CE2 4.44Å; V746-F964 HydrophobicContact CG2-CZ 4.13Å
747	L	98.6	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.9	173.8	178.9	65.4	0	0	0	110	L745 V749 A779 I781 L813 C829 A830 F831 M843	L745-L747 HydrophobicContact CD2-CB 4.14Å; L747-V749 HydrophobicContact CD2-CG2 3.73Å; L747-V749 HydrophobicContact CG-CG2 3.73Å; L747-A779 HydrophobicContact CD1-CB 3.86Å; L747-I781 HydrophobicContact CD1-CD1 3.58Å; L747-I781 HydrophobicContact CD1-CG1 3.93Å; L747-I781 HydrophobicContact CD2-CD1 4.43Å; L747-L813 HydrophobicContact CD2-CD1 4.38Å; L747-L813 HydrophobicContact CD2-CD2 4.31Å; L747-C829 PolarHBondContact N-O 3.31Å; L747-A830 HydrophobicContact CB-CB 4.18Å; L747-A830 HydrophobicContact CD2-CB 4.5Å; L747-A830 CarbonylContact O-C 3.59Å; L747-A830 WeakPolarHBondContact O-CA 3.42Å; L747-F831 PolarHBondContact O-N 2.71Å; L747-M843 HydrophobicContact CD2-CE 3.59Å; L747-M843 HydrophobicContact CD2-SD 4.07Å
748	H	98.4	Very high	91.7	Very high	37 Å²	37	35 Å²	35	17%	0.171	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	114.7	168.2	179.4	-138	0	0	0	109.4	L757 V778 A779 Q780 F831	H748-L757 WeakPolarHBondContact O-CD2 3.25Å; H748-V778 HydrophobicContact CB-CG1 4.4Å; H748-A779 PolarHBondContact N-O 2.62Å; H748-Q780 HydrophobicContact CB-CG 4.17Å; H748-Q780 PolarHBondContact ND1-NE2 3.44Å; H748-F831 HydrophobicContact CB-CE1 3.77Å; H748-F831 HydrophobicContact CB-CZ 3.75Å; H748-F831 AromaticContact CD2-CD2 3.91Å; H748-F831 AromaticContact CD2-CE2 3.21Å; H748-F831 WeakPolarHBondContact CD2-CE2 3.46Å; H748-F831 AromaticContact CD2-CZ 3.29Å; H748-F831 WeakPolarHBondContact CD2-CZ 3.43Å; H748-F831 AromaticContact CG-CZ 3.66Å; H748-F831 AromaticContact NE2-CE2 3.86Å
749	V	97.9	Very high	92.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.1	-177.2	-172	0	0	0	0	109.9	L747 A751 A830 F831 G832 G836 A839 M843	L747-V749 HydrophobicContact CD2-CG2 3.73Å; L747-V749 HydrophobicContact CG-CG2 3.73Å; V749-A751 HydrophobicContact CG1-CB 4.04Å; V749-A830 HydrophobicContact CG2-CB 4.32Å; V749-F831 PolarHBondContact N-O 2.76Å; V749-G832 WeakPolarHBondContact O-CA 3.18Å; V749-G836 VanDerWaalsContact O-CA 3.23Å; V749-G836 WeakPolarHBondContact O-CA 3.38Å; V749-A839 HydrophobicContact CG1-CB 3.66Å; V749-M843 HydrophobicContact CG2-SD 3.99Å
750	D	95.5	Very high	93.8	Very high	40 Å²	40	27.1 Å²	27.1	21%	0.214	16%	0.164	C	C	.	.			trans	-102.1	-68.3	159.7	176.3	2.9	0	0	0	108.8	S752 S755 L757 G836	D750-S752 PolarHBondContact O-N 2.84Å; D750-S752 WeakPolarHBondContact OD1-CB 3.26Å; D750-S752 PolarHBondContact OD1-N 3.24Å; D750-S752 VanDerWaalsContact OD1-N 3.13Å; D750-S752 PolarHBondContact OD1-OG 2.74Å; D750-S755 WeakPolarHBondContact OD2-CB 3.44Å; D750-S755 PolarHBondContact OD2-OG 3.35Å; D750-L757 HydrophobicContact CB-CB 4.39Å; D750-L757 HydrophobicContact CB-CD2 4.09Å; D750-G836 WeakPolarHBondContact O-CA 3.31Å; D750-G836 PolarHBondContact O-N 3.36Å
751	A	95.4	Very high	94.7	Very high	15 Å²	15	25.7 Å²	25.7	12%	0.124	15%	0.149	C	C	.	.			trans	56.8	8.1	-179.9	0	0	0	0	0	115.6	V749 E805 Y835 A839	V749-A751 HydrophobicContact CG1-CB 4.04Å; A751-E805 HydrophobicContact CB-CG 4.15Å; A751-Y835 VanDerWaalsContact O-CE1 3.32Å; A751-Y835 WeakPolarHBondContact O-CE1 3.14Å; A751-A839 HydrophobicContact CB-CB 4.1Å
752	S	94.6	Very high	95.2	Very high	28 Å²	28	23.1 Å²	23.1	20%	0.196	13%	0.131	C	C	.	.			trans	-55.8	130.6	176.4	-63	0	0	0	0	111.2	D750 G754 S755 Y835	D750-S752 PolarHBondContact O-N 2.84Å; D750-S752 WeakPolarHBondContact OD1-CB 3.26Å; D750-S752 PolarHBondContact OD1-N 3.24Å; D750-S752 VanDerWaalsContact OD1-N 3.13Å; D750-S752 PolarHBondContact OD1-OG 2.74Å; S752-G754 PolarHBondContact O-N 3.19Å; S752-S755 VanDerWaalsContact O-CB 3.26Å; S752-S755 WeakPolarHBondContact O-CB 3.41Å; S752-S755 PolarHBondContact O-N 3.04Å; S752-S755 PolarHBondContact O-OG 2.79Å; S752-Y835 WeakPolarHBondContact OG-CB 3.44Å
753	P	93.1	Very high	95.4	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.058	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	123.4	177.8	-29	36	0	0	0	112.7	V797 L801 Y835 Y875	P753-V797 HydrophobicContact CB-CG2 3.97Å; P753-V797 HydrophobicContact CG-CG2 4.12Å; P753-L801 HydrophobicContact CG-CD2 3.7Å; P753-Y835 HydrophobicContact CG-CE2 4.42Å; P753-Y875 HydrophobicContact CB-CD1 4.04Å; P753-Y875 HydrophobicContact CB-CE1 3.49Å; P753-Y875 VanDerWaalsContact CB-CE1 3.49Å; P753-Y875 HydrophobicContact CB-CE2 4.14Å; P753-Y875 HydrophobicContact CG-CD1 4.44Å; P753-Y875 HydrophobicContact CG-CD2 4.5Å; P753-Y875 HydrophobicContact CG-CE1 4.27Å; P753-Y875 HydrophobicContact CG-CE2 4.32Å; P753-Y875 PolarHBondContact O-OH 2.89Å
754	G	90.2	Very high	95.4	Very high	32 Å²	32	25 Å²	25	33%	0.33	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-3.4	-176.8	0	0	0	0	0	116	S752 G785	S752-G754 PolarHBondContact O-N 3.19Å; G754-G785 PolarHBondContact N-O 2.82Å
755	S	92.8	Very high	95.2	Very high	24 Å²	24	25.9 Å²	25.9	17%	0.168	14%	0.138	C	C	.	.			trans	-76	176.5	174.9	71	0	0	0	0	112.9	D750 S752 S786 G787	D750-S755 WeakPolarHBondContact OD2-CB 3.44Å; D750-S755 PolarHBondContact OD2-OG 3.35Å; S752-S755 VanDerWaalsContact O-CB 3.26Å; S752-S755 WeakPolarHBondContact O-CB 3.41Å; S752-S755 PolarHBondContact O-N 3.04Å; S752-S755 PolarHBondContact O-OG 2.79Å; S755-S786 WeakPolarHBondContact O-CA 3.42Å; S755-G787 PolarHBondContact O-N 3.15Å
756	Q	94.2	Very high	95.1	Very high	32 Å²	32	26.4 Å²	26.4	15%	0.15	14%	0.14	C	C	.	.			trans	-151.4	114.1	172	166.4	165.3	85.7	0	0	108.4	P581 F788	P581-Q756 VanDerWaalsContact C-NE2 3.32Å; P581-Q756 PolarHBondContact O-NE2 3.38Å; P581-Q756 PolarHBondContact O-OE1 2.82Å; Q756-F788 HydrophobicContact CB-CD2 3.94Å; Q756-F788 HydrophobicContact CB-CE2 4.1Å; Q756-F788 HydrophobicContact CG-CD2 4.43Å
757	L	95.1	Very high	95	Very high	26 Å²	26	26.7 Å²	26.7	14%	0.136	14%	0.142	C	C	.	.			trans	-93.8	-33.4	177.4	-175.4	60.1	0	0	0	111.6	H748 D750 T759 Q780 D782	H748-L757 WeakPolarHBondContact O-CD2 3.25Å; D750-L757 HydrophobicContact CB-CB 4.39Å; D750-L757 HydrophobicContact CB-CD2 4.09Å; L757-T759 PolarHBondContact O-N 3.29Å; L757-Q780 HydrophobicContact CD2-CB 3.86Å; L757-Q780 HydrophobicContact CD2-CG 3.84Å; L757-Q780 HydrophobicContact CG-CB 3.95Å; L757-Q780 HydrophobicContact CG-CG 3.96Å; L757-D782 PolarHBondContact N-OD1 2.65Å; L757-D782 PolarHBondContact N-OD2 3.31Å
758	V	97	Very high	94.8	Very high	3 Å²	3	28 Å²	28	2%	0.018	15%	0.147	C	C	.	.			trans	-85.3	97.7	179.3	177.7	0	0	0	0	110	G582 T714 Q726 R728 Q780 D782	G582-V758 WeakPolarHBondContact CA-O 3.47Å; T714-V758 HydrophobicContact CG2-CG1 3.74Å; Q726-V758 HydrophobicContact CB-CB 4.04Å; Q726-V758 HydrophobicContact CB-CG1 3.83Å; Q726-V758 HydrophobicContact CB-CG2 4.37Å; R728-V758 HydrophobicContact CB-CG1 4.09Å; R728-V758 HydrophobicContact CB-CG2 4.12Å; V758-Q780 HydrophobicContact CG2-CB 4.12Å; V758-D782 WeakPolarHBondContact CB-OD2 3.34Å; V758-D782 HydrophobicContact CG2-CB 4.44Å; V758-D782 PolarHBondContact N-OD2 2.69Å
759	T	96.1	Very high	94.7	Very high	24 Å²	24	27 Å²	27	15%	0.147	14%	0.142	C	C	.	.			trans	-138	145.1	180	179.5	0	0	0	0	113.3	G582 F656 R728 L757 R761	G582-T759 PolarHBondContact O-OG1 3.47Å; F656-T759 VanDerWaalsContact CD2-OG1 3.23Å; F656-T759 WeakPolarHBondContact CD2-OG1 3.42Å; F656-T759 WeakPolarHBondContact CE2-OG1 3.46Å; R728-T759 PolarHBondContact NH1-O 2.85Å; R728-T759 PolarHBondContact NH2-O 3.09Å; L757-T759 PolarHBondContact O-N 3.29Å; T759-R761 HydrophobicContact CG2-CB 3.87Å; T759-R761 PolarHBondContact O-N 2.67Å; T759-R761 PolarHBondContact OG1-N 3.07Å
760	E	95.6	Very high	94.6	Very high	22 Å²	22	27 Å²	27	10%	0.103	14%	0.141	C	C	.	.	S	Bend	trans	-78.5	14.8	172.9	-62.5	-53.6	140.9	0	0	113.2	G582 E583 L655 G674 P675 T714 R728	G582-E760 PolarHBondContact O-N 2.67Å; E583-E760 HydrophobicContact CG-CG 4.23Å; L655-E760 HydrophobicContact CB-CB 3.96Å; L655-E760 HydrophobicContact CB-CG 4.38Å; L655-E760 HydrophobicContact CD1-CB 4.47Å; L655-E760 HydrophobicContact CD1-CG 4.15Å; G674-E760 CarbonylContact C-O 3.58Å; G674-E760 VanDerWaalsContact CA-O 3.25Å; G674-E760 WeakPolarHBondContact CA-O 3.39Å; P675-E760 WeakPolarHBondContact CA-O 3.47Å; P675-E760 HydrophobicContact CB-CB 4.49Å; P675-E760 WeakPolarHBondContact CB-OE2 3.38Å; P675-E760 VanDerWaalsContact N-O 3.14Å; T714-E760 VanDerWaalsContact CB-OE1 3.31Å; T714-E760 WeakPolarHBondContact CB-OE1 3.27Å; T714-E760 PolarHBondContact OG1-OE1 3.11Å; R728-E760 IonicContact NH2-OE2 3.89Å
761	R	95.6	Very high	94.6	Very high	107 Å²	107	25 Å²	25	40%	0.404	13%	0.131	S	C	.	.			trans	-71	137.6	168.4	-170.9	177	177.5	131.4	-3.5	110.9	F656 T759 H763	F656-R761 HydrophobicContact CB-CB 4.38Å; F656-R761 HydrophobicContact CD1-CB 4.34Å; F656-R761 HydrophobicContact CD1-CG 4.36Å; F656-R761 HydrophobicContact CD2-CB 3.78Å; F656-R761 HydrophobicContact CE2-CB 4.09Å; F656-R761 HydrophobicContact CG-CB 3.9Å; F656-R761 HydrophobicContact CG-CG 4.39Å; T759-R761 HydrophobicContact CG2-CB 3.87Å; T759-R761 PolarHBondContact O-N 2.67Å; T759-R761 PolarHBondContact OG1-N 3.07Å; R761-H763 PolarHBondContact O-N 3.3Å
762	F	94.5	Very high	94.6	Very high	15 Å²	15	24.3 Å²	24.3	7%	0.066	13%	0.125	C	C	.	.			trans	-72.1	122.8	169.5	178.8	-88	0	0	0	110.2	L673 P678 L700 L704 V764 W768	L673-F762 VanDerWaalsContact O-CB 3.3Å; L673-F762 WeakPolarHBondContact O-CB 3.47Å; L673-F762 PolarHBondContact O-N 3.42Å; P678-F762 HydrophobicContact CG-CB 3.91Å; P678-F762 HydrophobicContact CG-CD1 3.85Å; P678-F762 HydrophobicContact CG-CG 4.04Å; L700-F762 HydrophobicContact CD2-CE1 3.98Å; L700-F762 HydrophobicContact CD2-CZ 4.3Å; L704-F762 HydrophobicContact CD1-CE2 3.82Å; L704-F762 HydrophobicContact CD1-CZ 3.7Å; L704-F762 HydrophobicContact CD2-CZ 4.33Å; F762-V764 HydrophobicContact CE1-CG2 3.83Å; F762-V764 HydrophobicContact CE2-CG2 4.15Å; F762-V764 HydrophobicContact CZ-CG2 3.43Å; F762-V764 VanDerWaalsContact CZ-CG2 3.43Å; F762-W768 HydrophobicContact CD2-CH2 4.44Å; F762-W768 AromaticContact CE2-CH2 3.85Å; F762-W768 HydrophobicContact CE2-CH2 3.85Å; F762-W768 HydrophobicContact CE2-CZ2 4.38Å
763	H	93.1	Very high	94.5	Very high	102 Å²	102	26.2 Å²	26.2	47%	0.472	13%	0.131	S	C	.	.			trans	-149.4	140	172.6	-173	-118.1	0	0	0	108.1	R761 D765 W768	R761-H763 PolarHBondContact O-N 3.3Å; H763-D765 IonicContact CE1-OD2 2.68Å; H763-D765 IonicContact ND1-OD2 3.11Å; H763-D765 PolarHBondContact ND1-OD2 3.21Å; H763-W768 VanDerWaalsContact O-CE2 3.3Å; H763-W768 PolarHBondContact O-NE1 2.87Å
764	V	93.2	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.			trans	-115.5	118.2	178.3	174.1	0	0	0	0	107.5	M87 I92 L97 Q98 F762 W768	M87-V764 HydrophobicContact CE-CG1 4Å; I92-V764 HydrophobicContact CG1-CG1 3.82Å; L97-V764 HydrophobicContact CB-CB 4.49Å; L97-V764 HydrophobicContact CB-CG1 4.19Å; L97-V764 HydrophobicContact CD1-CG1 4.09Å; Q98-V764 PolarHBondContact NE2-O 2.77Å; F762-V764 HydrophobicContact CE1-CG2 3.83Å; F762-V764 HydrophobicContact CE2-CG2 4.15Å; F762-V764 HydrophobicContact CZ-CG2 3.43Å; F762-V764 VanDerWaalsContact CZ-CG2 3.43Å; V764-W768 HydrophobicContact CG1-CE3 4.46Å; V764-W768 HydrophobicContact CG2-CD2 4.25Å; V764-W768 HydrophobicContact CG2-CE3 4.08Å; V764-W768 HydrophobicContact CG2-CH2 4.12Å; V764-W768 HydrophobicContact CG2-CZ2 4.26Å; V764-W768 HydrophobicContact CG2-CZ3 4.02Å
765	D	92.3	Very high	94.6	Very high	27 Å²	27	27.8 Å²	27.8	14%	0.144	13%	0.126	C	C	.	.			trans	-144.5	-172.3	-170.4	60.2	25.9	0	0	0	111.7	I92 H763 N767 W768 Y769	I92-D765 WeakPolarHBondContact CD1-O 3.43Å; I92-D765 VanDerWaalsContact CG2-C 3.47Å; H763-D765 IonicContact CE1-OD2 2.68Å; H763-D765 IonicContact ND1-OD2 3.11Å; H763-D765 PolarHBondContact ND1-OD2 3.21Å; D765-N767 PolarHBondContact O-N 3.06Å; D765-N767 WeakPolarHBondContact OD1-CA 3.37Å; D765-N767 WeakPolarHBondContact OD1-CB 3.44Å; D765-N767 PolarHBondContact OD1-N 3.12Å; D765-N767 PolarHBondContact OD1-ND2 3.3Å; D765-N767 VanDerWaalsContact OD1-ND2 3.14Å; D765-N767 PolarHBondContact OD2-ND2 3.32Å; D765-W768 WeakPolarHBondContact O-CB 3.46Å; D765-W768 PolarHBondContact O-N 2.91Å; D765-W768 VanDerWaalsContact O-N 3.11Å; D765-W768 PolarHBondContact OD1-N 3.33Å; D765-Y769 PolarHBondContact O-N 3.29Å
766	W	95	Very high	94.7	Very high	11 Å²	11	27.3 Å²	27.3	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-66.4	-18.7	179.5	-170.3	63.1	0	0	0	113.7	W768 Y769 L770 F831 Y953 M956 E957 F960	W766-W768 VanDerWaalsContact C-N 3.29Å; W766-W768 PolarHBondContact O-N 3.02Å; W766-Y769 AromaticContact CD1-CD1 3.66Å; W766-Y769 AromaticContact NE1-CD1 3.45Å; W766-Y769 WeakPolarHBondContact O-CB 3.17Å; W766-Y769 PolarHBondContact O-N 3.04Å; W766-Y769 VanDerWaalsContact O-N 3.14Å; W766-L770 HydrophobicContact CD2-CD1 4.16Å; W766-L770 HydrophobicContact CD2-CG 4.22Å; W766-L770 HydrophobicContact CE3-CD1 3.91Å; W766-L770 HydrophobicContact CE3-CG 4.47Å; W766-L770 HydrophobicContact CH2-CD1 3.89Å; W766-L770 HydrophobicContact CH2-CD2 4.3Å; W766-L770 HydrophobicContact CH2-CG 4.47Å; W766-L770 HydrophobicContact CZ2-CD1 4.14Å; W766-L770 HydrophobicContact CZ2-CD2 3.81Å; W766-L770 HydrophobicContact CZ2-CG 4.22Å; W766-L770 HydrophobicContact CZ3-CD1 3.76Å; W766-L770 WeakPolarHBondContact O-CG 3.39Å; W766-L770 PolarHBondContact O-N 3.42Å; W766-F831 HydrophobicContact CE3-CE1 4.29Å; W766-F831 HydrophobicContact CE3-CE2 4.19Å; W766-F831 AromaticContact CE3-CZ 3.84Å; W766-F831 HydrophobicContact CE3-CZ 3.84Å; W766-F831 HydrophobicContact CZ3-CD1 4.22Å; W766-F831 HydrophobicContact CZ3-CD2 4.42Å; W766-F831 AromaticContact CZ3-CE1 3.89Å; W766-F831 HydrophobicContact CZ3-CE1 3.89Å; W766-F831 HydrophobicContact CZ3-CE2 4.09Å; W766-F831 HydrophobicContact CZ3-CG 4.47Å; W766-F831 AromaticContact CZ3-CZ 3.81Å; W766-F831 HydrophobicContact CZ3-CZ 3.81Å; W766-Y953 HydrophobicContact CB-CD1 4.19Å; W766-Y953 HydrophobicContact CB-CD2 4.42Å; W766-Y953 HydrophobicContact CB-CE1 3.81Å; W766-Y953 HydrophobicContact CB-CE2 4.04Å; W766-Y953 HydrophobicContact CB-CG 4.49Å; W766-Y953 AromaticContact CD1-CD1 3.91Å; W766-Y953 AromaticContact CD1-CD2 3.79Å; W766-Y953 AromaticContact CD1-CG 3.6Å; W766-Y953 AromaticContact CD2-CD1 3.66Å; W766-Y953 HydrophobicContact CD2-CD1 3.66Å; W766-Y953 HydrophobicContact CD2-CE1 4.04Å; W766-Y953 HydrophobicContact CD2-CG 4.12Å; W766-Y953 AromaticContact CE2-CD1 3.9Å; W766-Y953 HydrophobicContact CE3-CD1 4.16Å; W766-Y953 HydrophobicContact CE3-CE1 4.35Å; W766-Y953 AromaticContact CG-CD1 3.68Å; W766-Y953 HydrophobicContact CG-CD1 3.68Å; W766-Y953 HydrophobicContact CG-CD2 4.12Å; W766-Y953 AromaticContact CG-CE1 3.82Å; W766-Y953 HydrophobicContact CG-CE1 3.82Å; W766-Y953 HydrophobicContact CG-CE2 4.23Å; W766-Y953 AromaticContact CG-CG 3.85Å; W766-Y953 HydrophobicContact CG-CG 3.85Å; W766-Y953 WeakPolarHBondContact CZ2-O 3.46Å; W766-Y953 AromaticContact NE1-CG 3.73Å; W766-M956 HydrophobicContact CE3-CE 4.32Å; W766-M956 HydrophobicContact CH2-CB 3.45Å; W766-M956 VanDerWaalsContact CH2-CB 3.45Å; W766-M956 HydrophobicContact CH2-CE 3.65Å; W766-M956 HydrophobicContact CH2-CG 4.27Å; W766-M956 HydrophobicContact CH2-SD 3.85Å; W766-M956 HydrophobicContact CZ2-CB 3.9Å; W766-M956 HydrophobicContact CZ3-CB 4.37Å; W766-M956 HydrophobicContact CZ3-CE 3.37Å; W766-M956 HydrophobicContact CZ3-SD 3.89Å; W766-E957 HydrophobicContact CZ2-CB 4.43Å; W766-F960 HydrophobicContact CH2-CD2 4.26Å; W766-F960 AromaticContact CH2-CE2 3.55Å; W766-F960 HydrophobicContact CH2-CE2 3.55Å; W766-F960 HydrophobicContact CH2-CZ 4.32Å; W766-F960 HydrophobicContact CZ3-CE2 4.09Å
767	N	95.9	Very high	94.8	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-65.9	-37.1	172.3	-49.9	-55.9	0	0	0	110.3	F730 D765 Y769 A771 V778 Q780	F730-N767 HydrophobicContact CD2-CB 4.1Å; F730-N767 HydrophobicContact CE2-CB 4.17Å; D765-N767 PolarHBondContact O-N 3.06Å; D765-N767 WeakPolarHBondContact OD1-CA 3.37Å; D765-N767 WeakPolarHBondContact OD1-CB 3.44Å; D765-N767 PolarHBondContact OD1-N 3.12Å; D765-N767 PolarHBondContact OD1-ND2 3.3Å; D765-N767 VanDerWaalsContact OD1-ND2 3.14Å; D765-N767 PolarHBondContact OD2-ND2 3.32Å; N767-Y769 VanDerWaalsContact C-N 3.34Å; N767-A771 PolarHBondContact O-N 3.49Å; N767-V778 HydrophobicContact CB-CB 4.23Å; N767-V778 HydrophobicContact CB-CG1 3.8Å; N767-V778 HydrophobicContact CB-CG2 4.44Å; N767-V778 WeakPolarHBondContact OD1-CG1 3.5Å; N767-Q780 PolarHBondContact ND2-NE2 3.31Å
768	W	95.7	Very high	94.9	Very high	27 Å²	27	24.5 Å²	24.5	10%	0.102	11%	0.108	C	C	.	.	H	α-helix	trans	-67.5	-33	172.2	-70	50.1	0	0	0	112.4	M87 L704 I709 P710 F730 F762 H763 V764 D765 W766 S772	M87-W768 HydrophobicContact CE-CE3 3.82Å; M87-W768 HydrophobicContact CE-CZ3 4.46Å; M87-W768 HydrophobicContact SD-CB 3.91Å; M87-W768 HydrophobicContact SD-CE3 4.06Å; L704-W768 HydrophobicContact CD2-CZ3 4.4Å; I709-W768 HydrophobicContact CB-CE3 4.43Å; I709-W768 HydrophobicContact CB-CZ3 3.93Å; I709-W768 HydrophobicContact CG2-CE3 4.4Å; I709-W768 HydrophobicContact CG2-CZ3 3.81Å; P710-W768 VanDerWaalsContact CD-CE3 3.47Å; P710-W768 HydrophobicContact CG-CB 4.16Å; P710-W768 HydrophobicContact CG-CD2 3.74Å; P710-W768 HydrophobicContact CG-CE3 3.92Å; P710-W768 HydrophobicContact CG-CG 3.85Å; F730-W768 AromaticContact CE1-CD1 3.98Å; F730-W768 AromaticContact CE1-NE1 3.56Å; F762-W768 HydrophobicContact CD2-CH2 4.44Å; F762-W768 AromaticContact CE2-CH2 3.85Å; F762-W768 HydrophobicContact CE2-CH2 3.85Å; F762-W768 HydrophobicContact CE2-CZ2 4.38Å; H763-W768 VanDerWaalsContact O-CE2 3.3Å; H763-W768 PolarHBondContact O-NE1 2.87Å; V764-W768 HydrophobicContact CG1-CE3 4.46Å; V764-W768 HydrophobicContact CG2-CD2 4.25Å; V764-W768 HydrophobicContact CG2-CE3 4.08Å; V764-W768 HydrophobicContact CG2-CH2 4.12Å; V764-W768 HydrophobicContact CG2-CZ2 4.26Å; V764-W768 HydrophobicContact CG2-CZ3 4.02Å; D765-W768 WeakPolarHBondContact O-CB 3.46Å; D765-W768 PolarHBondContact O-N 2.91Å; D765-W768 VanDerWaalsContact O-N 3.11Å; D765-W768 PolarHBondContact OD1-N 3.33Å; W766-W768 VanDerWaalsContact C-N 3.29Å; W766-W768 PolarHBondContact O-N 3.02Å; W768-S772 WeakPolarHBondContact O-CB 3.3Å; W768-S772 PolarHBondContact O-N 3.23Å
769	Y	95.6	Very high	95	Very high	17 Å²	17	24.4 Å²	24.4	7%	0.067	11%	0.107	C	C	.	.	H	α-helix	trans	-62.8	-51.8	173.8	177.8	-110.6	0	0	0	111.7	P89 D765 W766 N767 A771 S772 Q773 E957	P89-Y769 HydrophobicContact CG-CD2 4.39Å; P89-Y769 HydrophobicContact CG-CE2 3.71Å; D765-Y769 PolarHBondContact O-N 3.29Å; W766-Y769 AromaticContact CD1-CD1 3.66Å; W766-Y769 AromaticContact NE1-CD1 3.45Å; W766-Y769 WeakPolarHBondContact O-CB 3.17Å; W766-Y769 PolarHBondContact O-N 3.04Å; W766-Y769 VanDerWaalsContact O-N 3.14Å; N767-Y769 VanDerWaalsContact C-N 3.34Å; Y769-A771 PolarHBondContact O-N 3.17Å; Y769-S772 PolarHBondContact O-N 2.92Å; Y769-Q773 HydrophobicContact CD2-CB 3.83Å; Y769-Q773 HydrophobicContact CD2-CG 4.44Å; Y769-Q773 HydrophobicContact CE2-CB 3.5Å; Y769-Q773 VanDerWaalsContact CE2-CB 3.5Å; Y769-Q773 HydrophobicContact CE2-CG 3.61Å; Y769-Q773 WeakPolarHBondContact O-CB 3.35Å; Y769-Q773 PolarHBondContact O-N 2.72Å; Y769-E957 WeakPolarHBondContact CE1-OE2 3.34Å
770	L	96	Very high	95.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-61.4	-43.4	-177.1	-66.4	177.8	0	0	0	111.6	V746 W766 R774 S775 F776 V778 F960	V746-L770 HydrophobicContact CB-CD1 4.4Å; V746-L770 HydrophobicContact CG1-CD1 4.18Å; V746-L770 HydrophobicContact CG2-CD1 4.44Å; W766-L770 HydrophobicContact CD2-CD1 4.16Å; W766-L770 HydrophobicContact CD2-CG 4.22Å; W766-L770 HydrophobicContact CE3-CD1 3.91Å; W766-L770 HydrophobicContact CE3-CG 4.47Å; W766-L770 HydrophobicContact CH2-CD1 3.89Å; W766-L770 HydrophobicContact CH2-CD2 4.3Å; W766-L770 HydrophobicContact CH2-CG 4.47Å; W766-L770 HydrophobicContact CZ2-CD1 4.14Å; W766-L770 HydrophobicContact CZ2-CD2 3.81Å; W766-L770 HydrophobicContact CZ2-CG 4.22Å; W766-L770 HydrophobicContact CZ3-CD1 3.76Å; W766-L770 WeakPolarHBondContact O-CG 3.39Å; W766-L770 PolarHBondContact O-N 3.42Å; L770-R774 HydrophobicContact CD2-CG 4.46Å; L770-R774 CarbonylContact O-C 3.57Å; L770-R774 WeakPolarHBondContact O-CA 3.5Å; L770-R774 WeakPolarHBondContact O-CB 3.36Å; L770-R774 PolarHBondContact O-N 2.9Å; L770-S775 PolarHBondContact O-N 3.49Å; L770-F776 HydrophobicContact CB-CB 4.39Å; L770-F776 HydrophobicContact CB-CD2 4.37Å; L770-F776 HydrophobicContact CD2-CD2 3.99Å; L770-F776 HydrophobicContact CD2-CE2 4.28Å; L770-F776 PolarHBondContact O-N 3.03Å; L770-V778 HydrophobicContact CB-CG2 3.68Å; L770-V778 HydrophobicContact CD1-CG2 4.13Å; L770-F960 HydrophobicContact CD1-CE2 4.36Å
771	A	95.8	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-70.3	-40.8	175.9	0	0	0	0	0	113.4	P710 F730 P733 N767 Y769 S775 F776	P710-A771 HydrophobicContact CB-CB 3.69Å; F730-A771 HydrophobicContact CB-CB 4Å; P733-A771 VanDerWaalsContact CD-O 3.26Å; P733-A771 WeakPolarHBondContact CD-O 3.38Å; N767-A771 PolarHBondContact O-N 3.49Å; Y769-A771 PolarHBondContact O-N 3.17Å; A771-S775 WeakPolarHBondContact O-CA 3.34Å; A771-F776 VanDerWaalsContact CA-O 3.25Å; A771-F776 WeakPolarHBondContact CA-O 3.42Å
772	S	94.5	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-76.4	-46.8	-177.9	-176.3	0	0	0	0	113.6	R86 M87 A708 W768 Y769	R86-S772 VanDerWaalsContact CD-O 3.23Å; R86-S772 WeakPolarHBondContact CD-O 3.32Å; R86-S772 VanDerWaalsContact CG-O 3.25Å; R86-S772 WeakPolarHBondContact CG-O 3.3Å; R86-S772 PolarHBondContact NH1-O 3.38Å; M87-S772 WeakPolarHBondContact CG-OG 3.44Å; M87-S772 PolarHBondContact N-OG 3.5Å; A708-S772 WeakPolarHBondContact O-CB 3.02Å; A708-S772 PolarHBondContact O-OG 2.8Å; W768-S772 WeakPolarHBondContact O-CB 3.3Å; W768-S772 PolarHBondContact O-N 3.23Å; Y769-S772 PolarHBondContact O-N 2.92Å
773	Q	92.8	Very high	95.4	Very high	67 Å²	67	17.1 Å²	17.1	31%	0.313	8%	0.078	S	C	.	.	I	π-helix	trans	-93.5	-51.6	-172.9	-176.9	62.5	21.3	0	0	112.7	M87 Y769	M87-Q773 WeakPolarHBondContact O-CB 3.23Å; M87-Q773 PolarHBondContact O-OE1 2.92Å; Y769-Q773 HydrophobicContact CD2-CB 3.83Å; Y769-Q773 HydrophobicContact CD2-CG 4.44Å; Y769-Q773 HydrophobicContact CE2-CB 3.5Å; Y769-Q773 VanDerWaalsContact CE2-CB 3.5Å; Y769-Q773 HydrophobicContact CE2-CG 3.61Å; Y769-Q773 WeakPolarHBondContact O-CB 3.35Å; Y769-Q773 PolarHBondContact O-N 2.72Å
774	R	92.1	Very high	95.5	Very high	71 Å²	71	12.8 Å²	12.8	27%	0.268	6%	0.057	S	C	.	.	I	π-helix	trans	-84.6	-13.2	-178.4	-67.8	-52.2	-153.3	105.5	-1.3	113.8	L770 F776 E957 D961	L770-R774 HydrophobicContact CD2-CG 4.46Å; L770-R774 CarbonylContact O-C 3.57Å; L770-R774 WeakPolarHBondContact O-CA 3.5Å; L770-R774 WeakPolarHBondContact O-CB 3.36Å; L770-R774 PolarHBondContact O-N 2.9Å; R774-F776 HydrophobicContact CB-CD1 3.91Å; R774-F776 HydrophobicContact CB-CD2 4Å; R774-F776 HydrophobicContact CB-CE1 3.88Å; R774-F776 HydrophobicContact CB-CE2 3.97Å; R774-F776 HydrophobicContact CB-CG 3.97Å; R774-F776 HydrophobicContact CB-CZ 3.92Å; R774-F776 HydrophobicContact CG-CE2 4.29Å; R774-F776 HydrophobicContact CG-CZ 4.3Å; R774-F776 PolarHBondContact O-N 2.82Å; R774-E957 IonicContact CZ-OE1 2.74Å; R774-E957 IonicContact NE-OE1 2.67Å; R774-E957 PolarHBondContact NE-OE1 3.2Å; R774-E957 VanDerWaalsContact NH2-CG 3.34Å; R774-E957 IonicContact NH2-OE1 3.97Å; R774-E957 PolarHBondContact NH2-OE1 3.34Å; R774-D961 IonicContact CZ-OD1 3.65Å; R774-D961 IonicContact CZ-OD2 3.63Å; R774-D961 VanDerWaalsContact CZ-OD2 3.26Å; R774-D961 VanDerWaalsContact NH1-CG 3.26Å; R774-D961 IonicContact NH1-OD1 2.83Å; R774-D961 PolarHBondContact NH1-OD1 2.95Å; R774-D961 IonicContact NH1-OD2 3.31Å; R774-D961 PolarHBondContact NH1-OD2 3.31Å; R774-D961 IonicContact NH2-OD1 3.12Å; R774-D961 IonicContact NH2-OD2 2.76Å; R774-D961 PolarHBondContact NH2-OD2 2.9Å
775	S	92.8	Very high	95.5	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.028	6%	0.058	C	C	.	.			trans	57	32.2	-174.3	-45	0	0	0	0	113.3	R86 P732 F743 L770 A771	R86-S775 PolarHBondContact NH1-OG 2.89Å; P732-S775 WeakPolarHBondContact CG-O 3.34Å; F743-S775 VanDerWaalsContact CD1-O 3.25Å; F743-S775 WeakPolarHBondContact CD1-O 3.1Å; L770-S775 PolarHBondContact O-N 3.49Å; A771-S775 WeakPolarHBondContact O-CA 3.34Å
776	F	95.3	Very high	95.6	Very high	13 Å²	13	12 Å²	12	6%	0.057	5%	0.054	C	C	.	.			trans	-81.2	143.4	168.7	-58.1	-16.1	0	0	0	109.5	P744 V746 L770 A771 R774 V778 F960 F964	P744-F776 HydrophobicContact CB-CD1 3.86Å; P744-F776 HydrophobicContact CB-CE1 4.25Å; P744-F776 HydrophobicContact CB-CG 4.33Å; P744-F776 HydrophobicContact CG-CD1 3.83Å; P744-F776 HydrophobicContact CG-CE1 3.98Å; V746-F776 HydrophobicContact CG2-CB 4.39Å; V746-F776 HydrophobicContact CG2-CD2 3.83Å; V746-F776 HydrophobicContact CG2-CG 4.46Å; L770-F776 HydrophobicContact CB-CB 4.39Å; L770-F776 HydrophobicContact CB-CD2 4.37Å; L770-F776 HydrophobicContact CD2-CD2 3.99Å; L770-F776 HydrophobicContact CD2-CE2 4.28Å; L770-F776 PolarHBondContact O-N 3.03Å; A771-F776 VanDerWaalsContact CA-O 3.25Å; A771-F776 WeakPolarHBondContact CA-O 3.42Å; R774-F776 HydrophobicContact CB-CD1 3.91Å; R774-F776 HydrophobicContact CB-CD2 4Å; R774-F776 HydrophobicContact CB-CE1 3.88Å; R774-F776 HydrophobicContact CB-CE2 3.97Å; R774-F776 HydrophobicContact CB-CG 3.97Å; R774-F776 HydrophobicContact CB-CZ 3.92Å; R774-F776 HydrophobicContact CG-CE2 4.29Å; R774-F776 HydrophobicContact CG-CZ 4.3Å; R774-F776 PolarHBondContact O-N 2.82Å; F776-V778 PolarHBondContact O-N 3.47Å; F776-F960 HydrophobicContact CE2-CB 4.45Å; F776-F964 HydrophobicContact CD2-CE2 4.33Å; F776-F964 HydrophobicContact CE1-CD2 4.47Å; F776-F964 HydrophobicContact CE1-CE2 4.32Å; F776-F964 AromaticContact CE2-CE2 3.96Å; F776-F964 HydrophobicContact CE2-CE2 3.96Å; F776-F964 HydrophobicContact CZ-CD2 4.14Å; F776-F964 AromaticContact CZ-CE2 3.96Å; F776-F964 HydrophobicContact CZ-CE2 3.96Å
777	I	96.9	Very high	95.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.1	167.3	-66.6	170.3	0	0	0	107.4	L729 L731 M735 F743 P744 L745 V746 F822 I823	L729-I777 HydrophobicContact CD2-CG2 4.29Å; L731-I777 HydrophobicContact CD2-CD1 4.22Å; L731-I777 HydrophobicContact CD2-CG1 4.06Å; L731-I777 HydrophobicContact CD2-CG2 4.13Å; M735-I777 HydrophobicContact CE-CD1 4.39Å; F743-I777 HydrophobicContact CB-CD1 3.91Å; F743-I777 HydrophobicContact CB-CG1 4Å; P744-I777 PolarHBondContact O-N 2.79Å; L745-I777 CarbonylContact C-O 3.6Å; L745-I777 WeakPolarHBondContact CA-O 3.24Å; L745-I777 HydrophobicContact CD1-CG2 4.07Å; L745-I777 HydrophobicContact CG-CG2 4.37Å; V746-I777 PolarHBondContact N-O 3.4Å; I777-F822 HydrophobicContact CD1-CD2 3.52Å; I777-F822 HydrophobicContact CD1-CE2 3.96Å; I777-I823 HydrophobicContact CD1-CG1 3.9Å
778	V	97.9	Very high	95.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.8	173.9	-171.1	0	0	0	0	110	L729 F730 V746 H748 N767 L770 F776	L729-V778 CarbonylContact C-O 3.51Å; L729-V778 WeakPolarHBondContact CA-O 3.44Å; F730-V778 HydrophobicContact CB-CB 4.29Å; F730-V778 HydrophobicContact CD2-CB 4.24Å; F730-V778 PolarHBondContact N-O 3.04Å; F730-V778 PolarHBondContact O-N 2.98Å; F730-V778 VanDerWaalsContact O-N 3.09Å; V746-V778 VanDerWaalsContact O-CA 3.31Å; V746-V778 WeakPolarHBondContact O-CA 3.23Å; H748-V778 HydrophobicContact CB-CG1 4.4Å; N767-V778 HydrophobicContact CB-CB 4.23Å; N767-V778 HydrophobicContact CB-CG1 3.8Å; N767-V778 HydrophobicContact CB-CG2 4.44Å; N767-V778 WeakPolarHBondContact OD1-CG1 3.5Å; L770-V778 HydrophobicContact CB-CG2 3.68Å; L770-V778 HydrophobicContact CD1-CG2 4.13Å; F776-V778 PolarHBondContact O-N 3.47Å
779	A	98.3	Very high	95.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.6	178.3	0	0	0	0	0	111.8	R728 L729 L745 V746 L747 H748 L816	R728-A779 CarbonylContact O-C 3.56Å; R728-A779 WeakPolarHBondContact O-CA 3.23Å; L729-A779 HydrophobicContact CD2-CB 3.71Å; L745-A779 HydrophobicContact CD1-CB 4.11Å; L745-A779 HydrophobicContact CD2-CB 4.17Å; L745-A779 HydrophobicContact CG-CB 4.35Å; V746-A779 PolarHBondContact O-N 2.92Å; L747-A779 HydrophobicContact CD1-CB 3.86Å; H748-A779 PolarHBondContact N-O 2.62Å; A779-L816 HydrophobicContact CB-CD1 4.32Å
780	Q	98.3	Very high	94.9	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.028	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.2	169.8	-65.8	178.3	-20.8	0	0	107.9	V727 R728 F730 H748 L757 V758 N767	V727-Q780 WeakPolarHBondContact CA-O 3.34Å; R728-Q780 HydrophobicContact CB-CB 4.27Å; R728-Q780 PolarHBondContact N-O 2.94Å; R728-Q780 PolarHBondContact O-N 2.82Å; F730-Q780 HydrophobicContact CE2-CG 4.37Å; H748-Q780 HydrophobicContact CB-CG 4.17Å; H748-Q780 PolarHBondContact ND1-NE2 3.44Å; L757-Q780 HydrophobicContact CD2-CB 3.86Å; L757-Q780 HydrophobicContact CD2-CG 3.84Å; L757-Q780 HydrophobicContact CG-CB 3.95Å; L757-Q780 HydrophobicContact CG-CG 3.96Å; V758-Q780 HydrophobicContact CG2-CB 4.12Å; N767-Q780 PolarHBondContact ND2-NE2 3.31Å
781	I	98	Very high	94.7	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.2	-174.3	-55.8	166.3	0	0	0	109.3	A725 Q726 V727 L747 Q809 V812 L816	A725-I781 HydrophobicContact CB-CG2 4.39Å; Q726-I781 CarbonylContact O-C 3.55Å; Q726-I781 WeakPolarHBondContact O-CA 3.45Å; V727-I781 HydrophobicContact CG1-CG1 4.44Å; V727-I781 HydrophobicContact CG2-CG1 4.43Å; L747-I781 HydrophobicContact CD1-CD1 3.58Å; L747-I781 HydrophobicContact CD1-CG1 3.93Å; L747-I781 HydrophobicContact CD2-CD1 4.43Å; I781-Q809 PolarHBondContact O-NE2 3.05Å; I781-V812 HydrophobicContact CD1-CB 3.98Å; I781-V812 HydrophobicContact CD1-CG1 3.65Å; I781-V812 HydrophobicContact CG1-CG1 3.97Å; I781-V812 HydrophobicContact CG2-CB 4.09Å; I781-V812 HydrophobicContact CG2-CG1 3.97Å; I781-V812 HydrophobicContact CG2-CG2 4.24Å; I781-L816 HydrophobicContact CD1-CD1 4.42Å
782	D	97.9	Very high	94.5	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.7	167.6	-75.9	-28.9	0	0	0	109.1	A725 Q726 L757 V758	A725-D782 CarbonylContact C-O 3.58Å; A725-D782 WeakPolarHBondContact CA-O 3.39Å; A725-D782 WeakPolarHBondContact CB-O 3.44Å; Q726-D782 HydrophobicContact CB-CB 4.39Å; Q726-D782 PolarHBondContact N-O 3.32Å; Q726-D782 PolarHBondContact O-N 3.29Å; L757-D782 PolarHBondContact N-OD1 2.65Å; L757-D782 PolarHBondContact N-OD2 3.31Å; V758-D782 WeakPolarHBondContact CB-OD2 3.34Å; V758-D782 HydrophobicContact CG2-CB 4.44Å; V758-D782 PolarHBondContact N-OD2 2.69Å
783	G	95.9	Very high	94.4	Very high	6 Å²	6	16.8 Å²	16.8	6%	0.062	8%	0.081	C	C	.	.			trans	-100.8	-159.8	177.3	0	0	0	0	0	113.1	S786	G783-S786 WeakPolarHBondContact O-CB 3.49Å; G783-S786 PolarHBondContact O-N 3.23Å; G783-S786 PolarHBondContact O-OG 3.18Å
784	R	95.7	Very high	94.4	Very high	11 Å²	11	14.4 Å²	14.4	4%	0.042	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	145.1	169.4	-73.6	171.3	-72.2	164.4	-0.5	110.8	I719 F723 S786 L793 Q796 V804 E807 D808	I719-R784 HydrophobicContact CD1-CG 4.07Å; F723-R784 HydrophobicContact CB-CG 4.45Å; F723-R784 HydrophobicContact CD2-CG 4.02Å; F723-R784 HydrophobicContact CE2-CG 4.43Å; F723-R784 HydrophobicContact CG-CG 4.18Å; R784-S786 VanDerWaalsContact C-N 3.35Å; R784-L793 HydrophobicContact CG-CG 4.44Å; R784-Q796 HydrophobicContact CB-CB 4.07Å; R784-Q796 HydrophobicContact CB-CG 4.37Å; R784-Q796 HydrophobicContact CG-CB 4.34Å; R784-Q796 HydrophobicContact CG-CG 4.14Å; R784-V804 HydrophobicContact CB-CG1 3.65Å; R784-V804 HydrophobicContact CG-CG1 4.39Å; R784-V804 PolarHBondContact NH2-O 3.12Å; R784-E807 IonicContact CZ-OE2 3.99Å; R784-E807 IonicContact NH1-OE2 3.84Å; R784-E807 PolarHBondContact NH1-OE2 3.21Å; R784-E807 IonicContact NH2-OE2 3.3Å; R784-E807 PolarHBondContact NH2-OE2 2.63Å; R784-D808 WeakPolarHBondContact CB-OD2 3.49Å; R784-D808 VanDerWaalsContact CG-OD2 3.25Å; R784-D808 WeakPolarHBondContact CG-OD2 3.27Å; R784-D808 IonicContact CZ-OD1 2.65Å; R784-D808 VanDerWaalsContact CZ-OD1 3.31Å; R784-D808 IonicContact CZ-OD2 3.2Å; R784-D808 PolarHBondContact N-OD2 2.84Å; R784-D808 VanDerWaalsContact NE-CG 3.33Å; R784-D808 IonicContact NE-OD1 2.65Å; R784-D808 PolarHBondContact NE-OD1 3.46Å; R784-D808 VanDerWaalsContact NE-OD1 3.15Å; R784-D808 IonicContact NE-OD2 2.64Å; R784-D808 PolarHBondContact NE-OD2 2.97Å; R784-D808 VanDerWaalsContact NH2-CG 3.34Å; R784-D808 IonicContact NH2-OD1 2.85Å; R784-D808 PolarHBondContact NH2-OD1 2.83Å; R784-D808 IonicContact NH2-OD2 2.91Å
785	G	93.4	Very high	94.4	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.021	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-21.2	-171.6	0	0	0	0	0	115.1	G754 L793	G754-G785 PolarHBondContact N-O 2.82Å; G785-L793 PolarHBondContact N-O 2.92Å
786	S	94.8	Very high	94.4	Very high	7 Å²	7	13.6 Å²	13.6	5%	0.049	7%	0.068	C	C	.	.			trans	-67.5	162.4	175.2	63.5	0	0	0	0	113.3	S755 G783 R784 L793	S755-S786 WeakPolarHBondContact O-CA 3.42Å; G783-S786 WeakPolarHBondContact O-CB 3.49Å; G783-S786 PolarHBondContact O-N 3.23Å; G783-S786 PolarHBondContact O-OG 3.18Å; R784-S786 VanDerWaalsContact C-N 3.35Å; S786-L793 WeakPolarHBondContact OG-CD2 3.46Å
787	G	91.3	Very high	94.3	Very high	4 Å²	4	13 Å²	13	4%	0.041	7%	0.066	C	C	.	.	S	Bend	trans	-86	172.8	179.4	0	0	0	0	0	114.6	S755 Q789	S755-G787 PolarHBondContact O-N 3.15Å; G787-Q789 PolarHBondContact O-N 2.98Å
788	F	91.6	Very high	94.1	Very high	57 Å²	57	15 Å²	15	25%	0.25	8%	0.076	C	C	.	.	S	Bend	trans	64.1	9	169.7	-46	-73.9	0	0	0	116.7	E557 T559 A576 P581 R584 Q756	E557-F788 VanDerWaalsContact OE2-CA 3.27Å; E557-F788 WeakPolarHBondContact OE2-CA 3.34Å; T559-F788 HydrophobicContact CG2-CD1 3.55Å; T559-F788 HydrophobicContact CG2-CE1 3.74Å; A576-F788 HydrophobicContact CB-CB 4.35Å; P581-F788 HydrophobicContact CB-CB 4.19Å; P581-F788 WeakPolarHBondContact CB-O 3.38Å; R584-F788 VanDerWaalsContact NH2-CG 3.31Å; Q756-F788 HydrophobicContact CB-CD2 3.94Å; Q756-F788 HydrophobicContact CB-CE2 4.1Å; Q756-F788 HydrophobicContact CG-CD2 4.43Å
789	Q	92.1	Very high	93.8	Very high	31 Å²	31	16.3 Å²	16.3	15%	0.145	9%	0.089	C	C	.	.	S	Bend	trans	-112.6	16	173.2	-69.9	-173	-127.3	0	0	113.3	Y535 P581 H724 G787 L793	Y535-Q789 WeakPolarHBondContact CE1-O 3.45Å; P581-Q789 HydrophobicContact CB-CG 3.58Å; P581-Q789 HydrophobicContact CG-CG 3.64Å; H724-Q789 PolarHBondContact O-NE2 2.73Å; G787-Q789 PolarHBondContact O-N 2.98Å; Q789-L793 HydrophobicContact CB-CB 4.5Å; Q789-L793 HydrophobicContact CB-CD1 3.93Å; Q789-L793 HydrophobicContact CB-CD2 4.24Å; Q789-L793 HydrophobicContact CB-CG 4.46Å
790	G	92	Very high	93.5	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	11%	0.112	C	C	.	.			trans	90.8	156.4	-179.4	0	0	0	0	0	114.4	E557 L792 L793 R794	E557-G790 WeakPolarHBondContact OE2-CA 3.35Å; E557-G790 PolarHBondContact OE2-N 2.89Å; G790-L792 VanDerWaalsContact C-N 3.29Å; G790-L792 PolarHBondContact O-N 2.84Å; G790-L793 PolarHBondContact O-N 3.24Å; G790-R794 PolarHBondContact O-N 3.05Å
791	E	91.8	Very high	93.2	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.033	11%	0.111	C	C	.	.	H	α-helix	trans	-60.7	-36	-171.7	-67.1	-72.2	-172.2	0	0	112.9	P526 H534 R536 L793 R794 T795	P526-E791 HydrophobicContact CB-CG 3.87Å; H534-E791 HydrophobicContact CB-CB 4.18Å; H534-E791 HydrophobicContact CB-CG 4.21Å; H534-E791 WeakPolarHBondContact O-CB 3.49Å; H534-E791 PolarHBondContact O-N 2.83Å; R536-E791 IonicContact CZ-OE1 3.23Å; R536-E791 VanDerWaalsContact CZ-OE1 3.27Å; R536-E791 IonicContact NE-OE1 3.71Å; R536-E791 PolarHBondContact NE-OE1 2.89Å; R536-E791 IonicContact NH2-OE1 2.74Å; R536-E791 PolarHBondContact NH2-OE1 2.88Å; E791-L793 VanDerWaalsContact C-N 3.31Å; E791-L793 PolarHBondContact O-N 3.29Å; E791-R794 PolarHBondContact O-N 3Å; E791-R794 IonicContact OE1-NH2 3.8Å; E791-R794 IonicContact OE2-CZ 2.78Å; E791-R794 IonicContact OE2-NE 2.71Å; E791-R794 PolarHBondContact OE2-NE 3.09Å; E791-R794 IonicContact OE2-NH2 2.97Å; E791-R794 PolarHBondContact OE2-NH2 2.83Å; E791-T795 WeakPolarHBondContact O-CG2 3.24Å; E791-T795 PolarHBondContact O-N 2.88Å; E791-T795 PolarHBondContact O-OG1 2.89Å
792	L	91.7	Very high	93	Very high	54 Å²	54	21.5 Å²	21.5	28%	0.283	11%	0.111	S	C	.	.	H	α-helix	trans	-64.1	-34.9	-177.1	-179.2	63.1	0	0	0	112.6	F723 G790 Q796	F723-L792 HydrophobicContact CE1-CD2 4.36Å; F723-L792 HydrophobicContact CE1-CG 4.01Å; F723-L792 HydrophobicContact CZ-CD2 4.49Å; F723-L792 HydrophobicContact CZ-CG 4.05Å; G790-L792 VanDerWaalsContact C-N 3.29Å; G790-L792 PolarHBondContact O-N 2.84Å; L792-Q796 WeakPolarHBondContact O-CG 3.16Å; L792-Q796 PolarHBondContact O-NE2 2.72Å
793	L	92.7	Very high	92.8	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-78.1	-41.1	175.4	-177.7	152.2	0	0	0	110.7	F723 R784 G785 S786 Q789 G790 E791 T795	F723-L793 HydrophobicContact CB-CD1 4.37Å; F723-L793 HydrophobicContact CD1-CB 3.92Å; F723-L793 HydrophobicContact CD1-CD1 3.98Å; F723-L793 HydrophobicContact CD1-CG 4.12Å; F723-L793 HydrophobicContact CE1-CB 3.93Å; R784-L793 HydrophobicContact CG-CG 4.44Å; G785-L793 PolarHBondContact N-O 2.92Å; S786-L793 WeakPolarHBondContact OG-CD2 3.46Å; Q789-L793 HydrophobicContact CB-CB 4.5Å; Q789-L793 HydrophobicContact CB-CD1 3.93Å; Q789-L793 HydrophobicContact CB-CD2 4.24Å; Q789-L793 HydrophobicContact CB-CG 4.46Å; G790-L793 PolarHBondContact O-N 3.24Å; E791-L793 VanDerWaalsContact C-N 3.31Å; E791-L793 PolarHBondContact O-N 3.29Å; L793-T795 PolarHBondContact O-N 2.96Å
794	R	92.1	Very high	92.7	Very high	16 Å²	16	24 Å²	24	6%	0.06	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-41.7	-178.9	-166.5	-179.1	73.3	103.5	2.6	113	W466 G790 E791 Q796	W466-R794 HydrophobicContact CH2-CG 4.06Å; W466-R794 WeakPolarHBondContact CH2-O 3.47Å; W466-R794 HydrophobicContact CZ2-CG 4.03Å; W466-R794 VanDerWaalsContact CZ2-NH1 3.29Å; W466-R794 PolarHBondContact O-NH2 3.23Å; G790-R794 PolarHBondContact O-N 3.05Å; E791-R794 PolarHBondContact O-N 3Å; E791-R794 IonicContact OE1-NH2 3.8Å; E791-R794 IonicContact OE2-CZ 2.78Å; E791-R794 IonicContact OE2-NE 2.71Å; E791-R794 PolarHBondContact OE2-NE 3.09Å; E791-R794 IonicContact OE2-NH2 2.97Å; E791-R794 PolarHBondContact OE2-NH2 2.83Å; R794-Q796 PolarHBondContact O-N 3.01Å
795	T	92.8	Very high	92.7	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.055	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-84.7	-3.6	-174.1	70.3	0	0	0	0	115.3	W466 E791 L793 V797 H798	W466-T795 HydrophobicContact CZ3-CG2 4.44Å; E791-T795 WeakPolarHBondContact O-CG2 3.24Å; E791-T795 PolarHBondContact O-N 2.88Å; E791-T795 PolarHBondContact O-OG1 2.89Å; L793-T795 PolarHBondContact O-N 2.96Å; T795-V797 PolarHBondContact O-N 3.33Å; T795-V797 VanDerWaalsContact O-N 3.13Å; T795-H798 VanDerWaalsContact O-CB 3.23Å; T795-H798 WeakPolarHBondContact O-CB 3.44Å; T795-H798 PolarHBondContact O-N 2.81Å
796	Q	93.1	Very high	92.9	Very high	49 Å²	49	23.8 Å²	23.8	23%	0.229	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60.1	-28.4	-176	-65.4	-59.4	-52.9	0	0	114.3	F723 R784 L792 R794 H798 V804	F723-Q796 HydrophobicContact CE2-CG 4.17Å; F723-Q796 HydrophobicContact CZ-CG 3.91Å; R784-Q796 HydrophobicContact CB-CB 4.07Å; R784-Q796 HydrophobicContact CB-CG 4.37Å; R784-Q796 HydrophobicContact CG-CB 4.34Å; R784-Q796 HydrophobicContact CG-CG 4.14Å; L792-Q796 WeakPolarHBondContact O-CG 3.16Å; L792-Q796 PolarHBondContact O-NE2 2.72Å; R794-Q796 PolarHBondContact O-N 3.01Å; Q796-H798 VanDerWaalsContact C-N 3.29Å; Q796-V804 HydrophobicContact CB-CG1 3.82Å
797	V	92.9	Very high	93	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-79	-7.7	178.8	-62.9	0	0	0	0	113.7	W466 P753 T795 G799 K800 L801 V804 E805	W466-V797 HydrophobicContact CH2-CG2 4.48Å; P753-V797 HydrophobicContact CB-CG2 3.97Å; P753-V797 HydrophobicContact CG-CG2 4.12Å; T795-V797 PolarHBondContact O-N 3.33Å; T795-V797 VanDerWaalsContact O-N 3.13Å; V797-G799 PolarHBondContact O-N 3.12Å; V797-K800 CarbonylContact O-C 3.48Å; V797-K800 WeakPolarHBondContact O-CA 3.23Å; V797-K800 PolarHBondContact O-N 2.89Å; V797-L801 HydrophobicContact CB-CD2 4.13Å; V797-L801 HydrophobicContact CG2-CD2 4.36Å; V797-L801 PolarHBondContact O-N 3.45Å; V797-V804 HydrophobicContact CG1-CB 4.2Å; V797-V804 HydrophobicContact CG1-CG1 4.16Å; V797-E805 HydrophobicContact CG1-CB 4.27Å
798	H	92.4	Very high	93.2	Very high	43 Å²	43	26.6 Å²	26.6	20%	0.199	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	127.1	-179.8	179.5	-107.2	0	0	0	111.5	D464 T795 Q796 K800 R874 P877	D464-H798 PolarHBondContact O-CE1 3.45Å; D464-H798 PolarHBondContact O-ND1 2.68Å; D464-H798 PolarHBondContact O-NE2 3.47Å; T795-H798 VanDerWaalsContact O-CB 3.23Å; T795-H798 WeakPolarHBondContact O-CB 3.44Å; T795-H798 PolarHBondContact O-N 2.81Å; Q796-H798 VanDerWaalsContact C-N 3.29Å; H798-K800 PolarHBondContact O-N 2.71Å; H798-R874 PolarHBondContact CD2-O 2.87Å; H798-P877 WeakPolarHBondContact NE2-CD 3.17Å; H798-P877 WeakPolarHBondContact NE2-CG 3.12Å
799	G	90.3	Very high	93.5	Very high	27 Å²	27	24 Å²	24	28%	0.278	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	9.6	-172	0	0	0	0	0	114.8	V797 Y875	V797-G799 PolarHBondContact O-N 3.12Å; G799-Y875 WeakPolarHBondContact CA-O 3.02Å; G799-Y875 PolarHBondContact N-O 3.36Å
800	K	92.3	Very high	93.7	Very high	111 Å²	111	23.5 Å²	23.5	48%	0.483	12%	0.123	S	C	.	.			trans	-144	24.3	-165	-64.1	-178.9	-173.8	170.5	0	114.7	V797 H798 G802 T803 V804	V797-K800 CarbonylContact O-C 3.48Å; V797-K800 WeakPolarHBondContact O-CA 3.23Å; V797-K800 PolarHBondContact O-N 2.89Å; H798-K800 PolarHBondContact O-N 2.71Å; K800-G802 PolarHBondContact O-N 3Å; K800-T803 PolarHBondContact O-N 2.64Å; K800-T803 PolarHBondContact O-OG1 3.36Å; K800-V804 HydrophobicContact CB-CG2 3.98Å; K800-V804 HydrophobicContact CD-CG2 3.89Å
801	L	93.3	Very high	93.9	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	138.7	177.5	-60.4	-169.9	0	0	0	111.4	P753 V797 Y835 Y838 F864 F871 Y875 I876 A889	P753-L801 HydrophobicContact CG-CD2 3.7Å; V797-L801 HydrophobicContact CB-CD2 4.13Å; V797-L801 HydrophobicContact CG2-CD2 4.36Å; V797-L801 PolarHBondContact O-N 3.45Å; L801-Y835 HydrophobicContact CD1-CE2 4.29Å; L801-Y838 PolarHBondContact O-OH 2.94Å; L801-F864 HydrophobicContact CB-CE2 4.33Å; L801-F864 HydrophobicContact CB-CZ 4.49Å; L801-F864 HydrophobicContact CD1-CD1 4.21Å; L801-F864 HydrophobicContact CD1-CD2 4.49Å; L801-F864 HydrophobicContact CD1-CE1 3.96Å; L801-F864 HydrophobicContact CD1-CE2 4.25Å; L801-F864 HydrophobicContact CD1-CG 4.48Å; L801-F864 HydrophobicContact CD1-CZ 3.99Å; L801-F871 HydrophobicContact CD1-CE1 4.33Å; L801-Y875 HydrophobicContact CD1-CD2 4.25Å; L801-Y875 HydrophobicContact CD1-CG 4.26Å; L801-Y875 HydrophobicContact CD2-CG 4.2Å; L801-I876 HydrophobicContact CD1-CD1 4.07Å; L801-I876 HydrophobicContact CD1-CG1 4.12Å; L801-I876 HydrophobicContact CG-CD1 4.4Å; L801-I876 HydrophobicContact CG-CG1 4.27Å; L801-A889 WeakPolarHBondContact O-CB 3.39Å
802	G	92.9	Very high	94.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	21.1	-176.8	0	0	0	0	0	115.2	K800 E805 Y838 M842	K800-G802 PolarHBondContact O-N 3Å; G802-E805 WeakPolarHBondContact CA-OE1 3.46Å; G802-E805 PolarHBondContact N-OE1 2.96Å; G802-Y838 WeakPolarHBondContact CA-OH 3.3Å; G802-Y838 PolarHBondContact N-OH 2.81Å; G802-M842 WeakPolarHBondContact O-CG 3.16Å
803	T	93.8	Very high	94.5	Very high	53 Å²	53	22.4 Å²	22.4	33%	0.325	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	-53.7	-176.8	68.2	0	0	0	0	113.3	K800 E805 E807	K800-T803 PolarHBondContact O-N 2.64Å; K800-T803 PolarHBondContact O-OG1 3.36Å; T803-E805 PolarHBondContact N-OE2 2.84Å; T803-E807 VanDerWaalsContact O-CB 3.24Å; T803-E807 WeakPolarHBondContact O-CB 3.47Å; T803-E807 PolarHBondContact O-N 3.34Å
804	V	94.7	Very high	94.6	Very high	10 Å²	10	23.1 Å²	23.1	6%	0.061	13%	0.131	C	C	.	.	H	α-helix	trans	-76.1	-45.2	-171	166.9	0	0	0	0	111.1	R784 Q796 V797 K800 D808	R784-V804 HydrophobicContact CB-CG1 3.65Å; R784-V804 HydrophobicContact CG-CG1 4.39Å; R784-V804 PolarHBondContact NH2-O 3.12Å; Q796-V804 HydrophobicContact CB-CG1 3.82Å; V797-V804 HydrophobicContact CG1-CB 4.2Å; V797-V804 HydrophobicContact CG1-CG1 4.16Å; K800-V804 HydrophobicContact CB-CG2 3.98Å; K800-V804 HydrophobicContact CD-CG2 3.89Å; V804-D808 PolarHBondContact O-N 2.93Å
805	E	95.6	Very high	94.8	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-73	-34.3	175.4	76.1	-68.2	179	0	0	111.4	A751 V797 G802 T803 D808 Q809 Y835	A751-E805 HydrophobicContact CB-CG 4.15Å; V797-E805 HydrophobicContact CG1-CB 4.27Å; G802-E805 WeakPolarHBondContact CA-OE1 3.46Å; G802-E805 PolarHBondContact N-OE1 2.96Å; T803-E805 PolarHBondContact N-OE2 2.84Å; E805-D808 PolarHBondContact O-N 3.1Å; E805-Q809 VanDerWaalsContact O-CG 3.23Å; E805-Q809 WeakPolarHBondContact O-CG 2.95Å; E805-Q809 PolarHBondContact O-N 2.86Å; E805-Y835 PolarHBondContact OE1-OH 3.33Å; E805-Y835 VanDerWaalsContact OE1-OH 3.07Å
806	V	96.8	Very high	94.9	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-67.6	-40.9	175.6	179.1	0	0	0	0	111.2	D808 Q809 L810 M842 M843 D846	V806-D808 VanDerWaalsContact C-N 3.32Å; V806-D808 PolarHBondContact O-N 2.96Å; V806-Q809 PolarHBondContact O-N 3.25Å; V806-L810 HydrophobicContact CG1-CD1 4.18Å; V806-L810 WeakPolarHBondContact O-CB 3.44Å; V806-L810 PolarHBondContact O-N 3.49Å; V806-M842 HydrophobicContact CG1-CB 4.41Å; V806-M842 HydrophobicContact CG1-CG 4.22Å; V806-M842 HydrophobicContact CG2-CB 3.92Å; V806-M842 HydrophobicContact CG2-CG 3.9Å; V806-M843 HydrophobicContact CG1-CG 3.98Å; V806-D846 HydrophobicContact CG1-CB 4.49Å
807	E	96.1	Very high	95	Very high	66 Å²	66	26.4 Å²	26.4	31%	0.308	14%	0.141	S	C	.	.	H	α-helix	trans	-57.8	-42.6	171.2	177.8	-178.6	-140.1	0	0	111.6	R720 R784 T803 G811	R720-E807 WeakPolarHBondContact CD-OE1 3.48Å; R720-E807 IonicContact CZ-OE1 3.05Å; R720-E807 IonicContact NE-OE1 2.68Å; R720-E807 IonicContact NH1-OE1 3.84Å; R720-E807 PolarHBondContact NH1-OE1 3.34Å; R784-E807 IonicContact CZ-OE2 3.99Å; R784-E807 IonicContact NH1-OE2 3.84Å; R784-E807 PolarHBondContact NH1-OE2 3.21Å; R784-E807 IonicContact NH2-OE2 3.3Å; R784-E807 PolarHBondContact NH2-OE2 2.63Å; T803-E807 VanDerWaalsContact O-CB 3.24Å; T803-E807 WeakPolarHBondContact O-CB 3.47Å; T803-E807 PolarHBondContact O-N 3.34Å; E807-G811 PolarHBondContact O-N 3.23Å
808	D	97.1	Very high	95.1	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-70.6	-44.9	178.3	-75.5	-16.4	0	0	0	112.8	I719 R784 V804 E805 V806 L810 G811 V812	I719-D808 HydrophobicContact CD1-CB 4.47Å; I719-D808 VanDerWaalsContact CD1-CG 3.43Å; I719-D808 WeakPolarHBondContact CD1-OD1 3.42Å; I719-D808 WeakPolarHBondContact CD1-OD2 3.21Å; R784-D808 WeakPolarHBondContact CB-OD2 3.49Å; R784-D808 VanDerWaalsContact CG-OD2 3.25Å; R784-D808 WeakPolarHBondContact CG-OD2 3.27Å; R784-D808 IonicContact CZ-OD1 2.65Å; R784-D808 VanDerWaalsContact CZ-OD1 3.31Å; R784-D808 IonicContact CZ-OD2 3.2Å; R784-D808 PolarHBondContact N-OD2 2.84Å; R784-D808 VanDerWaalsContact NE-CG 3.33Å; R784-D808 IonicContact NE-OD1 2.65Å; R784-D808 PolarHBondContact NE-OD1 3.46Å; R784-D808 VanDerWaalsContact NE-OD1 3.15Å; R784-D808 IonicContact NE-OD2 2.64Å; R784-D808 PolarHBondContact NE-OD2 2.97Å; R784-D808 VanDerWaalsContact NH2-CG 3.34Å; R784-D808 IonicContact NH2-OD1 2.85Å; R784-D808 PolarHBondContact NH2-OD1 2.83Å; R784-D808 IonicContact NH2-OD2 2.91Å; V804-D808 PolarHBondContact O-N 2.93Å; E805-D808 PolarHBondContact O-N 3.1Å; V806-D808 VanDerWaalsContact C-N 3.32Å; V806-D808 PolarHBondContact O-N 2.96Å; D808-L810 PolarHBondContact O-N 2.87Å; D808-G811 PolarHBondContact O-N 3.03Å; D808-V812 WeakPolarHBondContact O-CB 3.37Å; D808-V812 WeakPolarHBondContact O-CG2 3.47Å; D808-V812 PolarHBondContact O-N 3.17Å
809	Q	97.6	Very high	95.1	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-47.9	177.7	-68.1	-72.7	-21.2	0	0	110.7	I781 E805 V806 L813 M843	I781-Q809 PolarHBondContact O-NE2 3.05Å; E805-Q809 VanDerWaalsContact O-CG 3.23Å; E805-Q809 WeakPolarHBondContact O-CG 2.95Å; E805-Q809 PolarHBondContact O-N 2.86Å; V806-Q809 PolarHBondContact O-N 3.25Å; Q809-L813 WeakPolarHBondContact O-CB 3.48Å; Q809-L813 PolarHBondContact O-N 2.81Å; Q809-M843 HydrophobicContact CB-CE 3.55Å; Q809-M843 HydrophobicContact CB-CG 4.28Å; Q809-M843 HydrophobicContact CB-SD 3.52Å; Q809-M843 VanDerWaalsContact CB-SD 3.52Å; Q809-M843 HydrophobicContact CG-SD 4.16Å
810	L	96.9	Very high	95.3	Very high	20 Å²	20	33.3 Å²	33.3	11%	0.105	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-39.9	177.1	-71.8	173.3	0	0	0	112.4	V806 D808 L813 T814 M843 D846 D847 L852	V806-L810 HydrophobicContact CG1-CD1 4.18Å; V806-L810 WeakPolarHBondContact O-CB 3.44Å; V806-L810 PolarHBondContact O-N 3.49Å; D808-L810 PolarHBondContact O-N 2.87Å; L810-L813 PolarHBondContact O-N 2.89Å; L810-T814 WeakPolarHBondContact O-CB 3.48Å; L810-T814 PolarHBondContact O-N 2.86Å; L810-T814 PolarHBondContact O-OG1 3.44Å; L810-M843 HydrophobicContact CD2-CB 4.1Å; L810-M843 HydrophobicContact CD2-CE 3.65Å; L810-M843 HydrophobicContact CD2-CG 4.36Å; L810-M843 HydrophobicContact CG-CB 4.33Å; L810-M843 HydrophobicContact CG-CE 3.96Å; L810-M843 HydrophobicContact CG-CG 4.19Å; L810-D846 HydrophobicContact CD1-CB 4.47Å; L810-D847 HydrophobicContact CD1-CB 4.31Å; L810-D847 HydrophobicContact CD2-CB 3.88Å; L810-L852 HydrophobicContact CD2-CD1 4.49Å
811	G	96	Very high	95.2	Very high	40 Å²	40	35.9 Å²	35.9	41%	0.412	18%	0.184	S	C	.	.	H	α-helix	trans	-64.2	-44.1	178.9	0	0	0	0	0	112.9	E807 D808 T814 Y815	E807-G811 PolarHBondContact O-N 3.23Å; D808-G811 PolarHBondContact O-N 3.03Å; G811-T814 WeakPolarHBondContact O-CB 3.45Å; G811-Y815 PolarHBondContact O-N 2.99Å
812	V	97.2	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-71.6	-40.1	176	175.2	0	0	0	0	111	V717 I719 A725 V727 I781 D808 T814 Y815 L816	V717-V812 HydrophobicContact CB-CG2 4.39Å; V717-V812 HydrophobicContact CG1-CG2 4.24Å; V717-V812 HydrophobicContact CG2-CG1 4.38Å; I719-V812 HydrophobicContact CG2-CG2 3.66Å; A725-V812 HydrophobicContact CB-CG2 3.84Å; V727-V812 HydrophobicContact CG2-CG1 3.54Å; I781-V812 HydrophobicContact CD1-CB 3.98Å; I781-V812 HydrophobicContact CD1-CG1 3.65Å; I781-V812 HydrophobicContact CG1-CG1 3.97Å; I781-V812 HydrophobicContact CG2-CB 4.09Å; I781-V812 HydrophobicContact CG2-CG1 3.97Å; I781-V812 HydrophobicContact CG2-CG2 4.24Å; D808-V812 WeakPolarHBondContact O-CB 3.37Å; D808-V812 WeakPolarHBondContact O-CG2 3.47Å; D808-V812 PolarHBondContact O-N 3.17Å; V812-T814 VanDerWaalsContact C-N 3.29Å; V812-T814 PolarHBondContact O-N 2.98Å; V812-Y815 WeakPolarHBondContact O-CB 3.16Å; V812-Y815 PolarHBondContact O-N 2.86Å; V812-Y815 VanDerWaalsContact O-N 3.11Å; V812-L816 HydrophobicContact CG1-CD1 4.43Å; V812-L816 HydrophobicContact CG1-CG 4.45Å; V812-L816 WeakPolarHBondContact O-CG 3.39Å; V812-L816 PolarHBondContact O-N 2.97Å
813	L	97.2	Very high	95.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-39.6	174.8	-173.5	67	0	0	0	112	L745 L747 Q809 L810 L816 R817 I828 M843 V851 L852	L745-L813 HydrophobicContact CD2-CD1 3.75Å; L747-L813 HydrophobicContact CD2-CD1 4.38Å; L747-L813 HydrophobicContact CD2-CD2 4.31Å; Q809-L813 WeakPolarHBondContact O-CB 3.48Å; Q809-L813 PolarHBondContact O-N 2.81Å; L810-L813 PolarHBondContact O-N 2.89Å; L813-L816 PolarHBondContact O-N 2.97Å; L813-R817 PolarHBondContact O-N 3.37Å; L813-I828 HydrophobicContact CD1-CG2 3.99Å; L813-I828 HydrophobicContact CD2-CG2 4.19Å; L813-I828 HydrophobicContact CG-CG2 4.41Å; L813-M843 HydrophobicContact CD2-CE 4.15Å; L813-V851 HydrophobicContact CD2-CB 4.4Å; L813-V851 HydrophobicContact CD2-CG1 3.73Å; L813-V851 HydrophobicContact CG-CG1 3.77Å; L813-L852 HydrophobicContact CD2-CD2 3.73Å; L813-L852 HydrophobicContact CD2-CG 4.12Å
814	T	96	Very high	95.2	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.135	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-47.3	171.7	-56.9	0	0	0	0	111	L810 G811 V812 L816 R817 D818	L810-T814 WeakPolarHBondContact O-CB 3.48Å; L810-T814 PolarHBondContact O-N 2.86Å; L810-T814 PolarHBondContact O-OG1 3.44Å; G811-T814 WeakPolarHBondContact O-CB 3.45Å; V812-T814 VanDerWaalsContact C-N 3.29Å; V812-T814 PolarHBondContact O-N 2.98Å; T814-L816 VanDerWaalsContact C-N 3.34Å; T814-L816 PolarHBondContact O-N 3.47Å; T814-R817 PolarHBondContact O-N 3.2Å; T814-D818 WeakPolarHBondContact O-CB 3.4Å; T814-D818 PolarHBondContact O-N 3.29Å
815	Y	95.9	Very high	95.2	Very high	95 Å²	95	37.7 Å²	37.7	37%	0.373	20%	0.195	S	C	.	.	H	α-helix	trans	-58.3	-43.6	175.9	170.7	-91.7	0	0	0	112.3	F715 V717 G811 V812 D818 N819	F715-Y815 HydrophobicContact CE2-CE1 4.36Å; V717-Y815 HydrophobicContact CG1-CD1 3.9Å; V717-Y815 HydrophobicContact CG1-CD2 4.46Å; V717-Y815 HydrophobicContact CG1-CE1 4.29Å; V717-Y815 HydrophobicContact CG1-CG 4Å; V717-Y815 HydrophobicContact CG2-CD1 3.8Å; V717-Y815 HydrophobicContact CG2-CE1 3.75Å; G811-Y815 PolarHBondContact O-N 2.99Å; V812-Y815 WeakPolarHBondContact O-CB 3.16Å; V812-Y815 PolarHBondContact O-N 2.86Å; V812-Y815 VanDerWaalsContact O-N 3.11Å; Y815-D818 PolarHBondContact O-N 2.61Å; Y815-N819 VanDerWaalsContact CD2-ND2 3.32Å; Y815-N819 WeakPolarHBondContact CD2-ND2 3.39Å; Y815-N819 HydrophobicContact CE2-CB 4.17Å; Y815-N819 WeakPolarHBondContact O-CB 3.37Å; Y815-N819 PolarHBondContact O-N 2.94Å; Y815-N819 PolarHBondContact O-ND2 2.87Å
816	L	95.9	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-50.3	177.6	-65.3	174.4	0	0	0	111.3	F715 V727 L729 A779 I781 V812 L813 T814 D818 L820 I823	F715-L816 HydrophobicContact CE2-CD2 4.29Å; F715-L816 HydrophobicContact CZ-CD2 3.74Å; V727-L816 HydrophobicContact CG1-CD1 4.24Å; V727-L816 HydrophobicContact CG1-CD2 4.24Å; L729-L816 HydrophobicContact CD2-CD1 4.32Å; A779-L816 HydrophobicContact CB-CD1 4.32Å; I781-L816 HydrophobicContact CD1-CD1 4.42Å; V812-L816 HydrophobicContact CG1-CD1 4.43Å; V812-L816 HydrophobicContact CG1-CG 4.45Å; V812-L816 WeakPolarHBondContact O-CG 3.39Å; V812-L816 PolarHBondContact O-N 2.97Å; L813-L816 PolarHBondContact O-N 2.97Å; T814-L816 VanDerWaalsContact C-N 3.34Å; T814-L816 PolarHBondContact O-N 3.47Å; L816-D818 VanDerWaalsContact C-N 3.31Å; L816-D818 PolarHBondContact O-N 2.7Å; L816-L820 HydrophobicContact CB-CD1 4.48Å; L816-L820 HydrophobicContact CD2-CD1 3.57Å; L816-L820 WeakPolarHBondContact O-CB 3.47Å; L816-L820 PolarHBondContact O-N 2.68Å; L816-L820 VanDerWaalsContact O-N 3.08Å; L816-I823 HydrophobicContact CB-CD1 3.88Å
817	R	95	Very high	95	Very high	48 Å²	48	46.6 Å²	46.6	18%	0.181	24%	0.237	C	C	.	.	H	α-helix	trans	-53.2	-46.2	176.2	-176	-164.3	69.1	-161.2	-8.9	112.3	L813 T814 P825 I828	L813-R817 PolarHBondContact O-N 3.37Å; T814-R817 PolarHBondContact O-N 3.2Å; R817-P825 HydrophobicContact CG-CB 3.65Å; R817-I828 HydrophobicContact CB-CD1 4.12Å; R817-I828 HydrophobicContact CG-CD1 4.02Å
818	D	94	Very high	95.1	Very high	99 Å²	99	43.5 Å²	43.5	53%	0.529	22%	0.222	S	C	.	.	H	α-helix	trans	-86.6	-18.2	-169	-66.3	-20.2	0	0	0	114.1	T814 Y815 L816	T814-D818 WeakPolarHBondContact O-CB 3.4Å; T814-D818 PolarHBondContact O-N 3.29Å; Y815-D818 PolarHBondContact O-N 2.61Å; L816-D818 VanDerWaalsContact C-N 3.31Å; L816-D818 PolarHBondContact O-N 2.7Å
819	N	93.5	Very high	95.1	Very high	95 Å²	95	43.3 Å²	43.3	51%	0.508	22%	0.221	S	C	.	.	H	α-helix	trans	-114.3	-21.2	-174	-65.2	-98.1	0	0	0	114.2	Y815	Y815-N819 VanDerWaalsContact CD2-ND2 3.32Å; Y815-N819 WeakPolarHBondContact CD2-ND2 3.39Å; Y815-N819 HydrophobicContact CE2-CB 4.17Å; Y815-N819 WeakPolarHBondContact O-CB 3.37Å; Y815-N819 PolarHBondContact O-N 2.94Å; Y815-N819 PolarHBondContact O-ND2 2.87Å
820	L	93	Very high	95.1	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.11	22%	0.221	C	C	.	.			trans	-107.7	93.9	-178.9	-56.9	178.6	0	0	0	110	L729 L816 F822 I823	L729-L820 HydrophobicContact CD1-CD1 3.77Å; L816-L820 HydrophobicContact CB-CD1 4.48Å; L816-L820 HydrophobicContact CD2-CD1 3.57Å; L816-L820 WeakPolarHBondContact O-CB 3.47Å; L816-L820 PolarHBondContact O-N 2.68Å; L816-L820 VanDerWaalsContact O-N 3.08Å; L820-F822 HydrophobicContact CB-CD2 4.33Å; L820-F822 HydrophobicContact CB-CE1 4.35Å; L820-F822 HydrophobicContact CB-CE2 3.91Å; L820-F822 HydrophobicContact CB-CZ 3.92Å; L820-F822 HydrophobicContact CD1-CE2 4.1Å; L820-F822 HydrophobicContact CD1-CZ 4.02Å; L820-F822 HydrophobicContact CD2-CE1 4.36Å; L820-F822 HydrophobicContact CD2-CZ 4.02Å; L820-F822 HydrophobicContact CG-CE2 4.48Å; L820-F822 HydrophobicContact CG-CZ 4.21Å; L820-F822 PolarHBondContact O-N 2.62Å; L820-I823 HydrophobicContact CB-CD1 3.86Å; L820-I823 HydrophobicContact CB-CG1 4.2Å; L820-I823 HydrophobicContact CD1-CD1 3.84Å; L820-I823 HydrophobicContact CG-CD1 4.43Å; L820-I823 WeakPolarHBondContact O-CB 3.41Å; L820-I823 PolarHBondContact O-N 2.76Å
821	K	91.7	Very high	95.2	Very high	166 Å²	166	42.9 Å²	42.9	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-31.1	-177.4	-68.3	-175.9	170.6	-169.3	0	115.3	D740 I823	D740-K821 IonicContact OD1-NZ 3.47Å; D740-K821 PolarHBondContact OD1-NZ 3.11Å; K821-I823 PolarHBondContact O-N 3.13Å
822	F	92.1	Very high	95.3	Very high	8 Å²	8	41 Å²	41	4%	0.035	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.6	-177.3	55.8	-115.8	0	0	0	113.9	L731 M735 E737 F743 I777 L820	L731-F822 HydrophobicContact CD2-CE2 4.1Å; M735-F822 HydrophobicContact CE-CB 3.39Å; M735-F822 HydrophobicContact CE-CD1 3.96Å; M735-F822 HydrophobicContact CE-CD2 3.61Å; M735-F822 HydrophobicContact CE-CE2 4.33Å; M735-F822 HydrophobicContact CE-CG 3.38Å; E737-F822 HydrophobicContact CB-CD1 4.19Å; E737-F822 HydrophobicContact CB-CE1 3.94Å; E737-F822 HydrophobicContact CG-CD1 4.4Å; E737-F822 HydrophobicContact CG-CE1 3.83Å; F743-F822 PolarHBondContact N-O 3Å; I777-F822 HydrophobicContact CD1-CD2 3.52Å; I777-F822 HydrophobicContact CD1-CE2 3.96Å; L820-F822 HydrophobicContact CB-CD2 4.33Å; L820-F822 HydrophobicContact CB-CE1 4.35Å; L820-F822 HydrophobicContact CB-CE2 3.91Å; L820-F822 HydrophobicContact CB-CZ 3.92Å; L820-F822 HydrophobicContact CD1-CE2 4.1Å; L820-F822 HydrophobicContact CD1-CZ 4.02Å; L820-F822 HydrophobicContact CD2-CE1 4.36Å; L820-F822 HydrophobicContact CD2-CZ 4.02Å; L820-F822 HydrophobicContact CG-CE2 4.48Å; L820-F822 HydrophobicContact CG-CZ 4.21Å; L820-F822 PolarHBondContact O-N 2.62Å
823	I	94.2	Very high	95.3	Very high	4 Å²	4	44 Å²	44	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.6	169.6	-65.3	173.8	0	0	0	108.4	L745 I777 L816 L820 K821 P825 I828	L745-I823 HydrophobicContact CB-CG2 4.02Å; L745-I823 HydrophobicContact CD1-CD1 3.57Å; L745-I823 HydrophobicContact CD1-CG1 4.12Å; L745-I823 HydrophobicContact CD1-CG2 4.15Å; I777-I823 HydrophobicContact CD1-CG1 3.9Å; L816-I823 HydrophobicContact CB-CD1 3.88Å; L820-I823 HydrophobicContact CB-CD1 3.86Å; L820-I823 HydrophobicContact CB-CG1 4.2Å; L820-I823 HydrophobicContact CD1-CD1 3.84Å; L820-I823 HydrophobicContact CG-CD1 4.43Å; L820-I823 WeakPolarHBondContact O-CB 3.41Å; L820-I823 PolarHBondContact O-N 2.76Å; K821-I823 PolarHBondContact O-N 3.13Å; I823-P825 WeakPolarHBondContact O-CD 3.41Å; I823-I828 HydrophobicContact CG2-CD1 4.22Å
824	D	93.9	Very high	95.3	Very high	24 Å²	24	44.1 Å²	44.1	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.2	173.4	-172.5	-47.4	0	0	0	110.6	A742 F743 L826 R827 I828	A742-D824 HydrophobicContact CB-CB 4.09Å; F743-D824 PolarHBondContact O-N 2.93Å; D824-L826 PolarHBondContact O-N 3.42Å; D824-L826 WeakPolarHBondContact OD1-CA 3.47Å; D824-L826 WeakPolarHBondContact OD1-CB 3.48Å; D824-L826 PolarHBondContact OD1-N 3.13Å; D824-R827 HydrophobicContact CB-CB 4.13Å; D824-R827 PolarHBondContact O-N 3.33Å; D824-R827 PolarHBondContact OD1-N 3.41Å; D824-R827 VanDerWaalsContact OD1-N 3.09Å; D824-R827 IonicContact OD2-CZ 2.75Å; D824-R827 IonicContact OD2-NE 3.4Å; D824-R827 PolarHBondContact OD2-NE 3.04Å; D824-R827 IonicContact OD2-NH2 3.38Å; D824-R827 PolarHBondContact OD2-NH2 2.95Å; D824-I828 VanDerWaalsContact O-CG1 3.27Å; D824-I828 WeakPolarHBondContact O-CG1 3.24Å
825	P	93.2	Very high	95.4	Very high	69 Å²	69	43.5 Å²	43.5	45%	0.448	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-12.3	-177.4	31.7	-37	0	0	0	114.2	R817 I823	R817-P825 HydrophobicContact CG-CB 3.65Å; I823-P825 WeakPolarHBondContact O-CD 3.41Å
826	L	92.9	Very high	95.5	Very high	127 Å²	127	39 Å²	39	67%	0.665	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	-23.7	176.2	-57.3	178.8	0	0	0	112.1	D824 Q853	D824-L826 PolarHBondContact O-N 3.42Å; D824-L826 WeakPolarHBondContact OD1-CA 3.47Å; D824-L826 WeakPolarHBondContact OD1-CB 3.48Å; D824-L826 PolarHBondContact OD1-N 3.13Å; L826-Q853 WeakPolarHBondContact O-CG 3.34Å
827	R	95.4	Very high	95.5	Very high	67 Å²	67	39 Å²	39	25%	0.253	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	64.6	-177	-65	-178.7	-70.8	156.5	5.4	112	A742 P744 L745 D824 F964	A742-R827 PolarHBondContact O-NH2 3.22Å; P744-R827 CarbonylContact C-O 3.49Å; P744-R827 VanDerWaalsContact CA-O 3.3Å; P744-R827 WeakPolarHBondContact CA-O 3.47Å; P744-R827 HydrophobicContact CB-CB 3.92Å; P744-R827 HydrophobicContact CG-CB 4.19Å; L745-R827 PolarHBondContact N-O 2.7Å; D824-R827 HydrophobicContact CB-CB 4.13Å; D824-R827 PolarHBondContact O-N 3.33Å; D824-R827 PolarHBondContact OD1-N 3.41Å; D824-R827 VanDerWaalsContact OD1-N 3.09Å; D824-R827 IonicContact OD2-CZ 2.75Å; D824-R827 IonicContact OD2-NE 3.4Å; D824-R827 PolarHBondContact OD2-NE 3.04Å; D824-R827 IonicContact OD2-NH2 3.38Å; D824-R827 PolarHBondContact OD2-NH2 2.95Å; R827-F964 VanDerWaalsContact C-CE1 3.42Å; R827-F964 HydrophobicContact CB-CB 4.38Å; R827-F964 HydrophobicContact CB-CD1 3.7Å; R827-F964 HydrophobicContact CB-CE1 4.12Å; R827-F964 HydrophobicContact CB-CG 4.03Å; R827-F964 HydrophobicContact CG-CB 3.97Å; R827-F964 HydrophobicContact CG-CD1 4.15Å; R827-F964 HydrophobicContact CG-CG 4.19Å; R827-F964 WeakPolarHBondContact O-CE1 3.47Å
828	I	97.7	Very high	95.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.5	176.9	-50.8	-177.2	0	0	0	110.9	L745 L813 R817 I823 D824 V851 L852 Q853	L745-I828 HydrophobicContact CB-CG1 4.43Å; L745-I828 HydrophobicContact CD2-CG2 3.94Å; L745-I828 WeakPolarHBondContact O-CA 3.49Å; L813-I828 HydrophobicContact CD1-CG2 3.99Å; L813-I828 HydrophobicContact CD2-CG2 4.19Å; L813-I828 HydrophobicContact CG-CG2 4.41Å; R817-I828 HydrophobicContact CB-CD1 4.12Å; R817-I828 HydrophobicContact CG-CD1 4.02Å; I823-I828 HydrophobicContact CG2-CD1 4.22Å; D824-I828 VanDerWaalsContact O-CG1 3.27Å; D824-I828 WeakPolarHBondContact O-CG1 3.24Å; I828-V851 WeakPolarHBondContact CB-O 3.39Å; I828-V851 HydrophobicContact CD1-CG1 4.17Å; I828-L852 HydrophobicContact CG2-CD2 4.17Å; I828-Q853 PolarHBondContact O-N 3.3Å
829	C	98.1	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.9	172.1	-76.7	0	0	0	0	111.8	L745 V746 L747 C854 F960 F964	L745-C829 PolarHBondContact O-N 2.77Å; V746-C829 CarbonylContact C-O 3.59Å; V746-C829 WeakPolarHBondContact CA-O 3.48Å; L747-C829 PolarHBondContact N-O 3.31Å; C829-C854 VanDerWaalsContact CA-O 3.27Å; C829-C854 WeakPolarHBondContact CA-O 3.44Å; C829-C854 HydrophobicContact CB-CB 4.3Å; C829-C854 WeakPolarHBondContact CB-O 3.17Å; C829-C854 WeakPolarHBondContact CB-SG 3.12Å; C829-C854 VanDerWaalsContact SG-CA 3.59Å; C829-C854 WeakPolarHBondContact SG-CB 3.25Å; C829-C854 PolarHBondContact SG-N 2.88Å; C829-C854 VanDerWaalsContact SG-N 3.36Å; C829-C854 CovalentContact SG-SG 2.04Å; C829-C854 PolarHBondContact SG-SG 2.85Å; C829-F960 HydrophobicContact CB-CD1 4Å; C829-F960 HydrophobicContact CB-CE1 4.01Å; C829-F964 HydrophobicContact CB-CE1 3.99Å; C829-F964 HydrophobicContact CB-CZ 4.21Å
830	A	98.3	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.9	175.1	0	0	0	0	0	112.2	L747 V749 L852 C854 A855 V856	L747-A830 HydrophobicContact CB-CB 4.18Å; L747-A830 HydrophobicContact CD2-CB 4.5Å; L747-A830 CarbonylContact O-C 3.59Å; L747-A830 WeakPolarHBondContact O-CA 3.42Å; V749-A830 HydrophobicContact CG2-CB 4.32Å; A830-L852 HydrophobicContact CB-CD1 4.29Å; A830-L852 HydrophobicContact CB-CD2 3.79Å; A830-C854 PolarHBondContact N-O 2.72Å; A830-A855 CarbonylContact O-C 3.57Å; A830-A855 VanDerWaalsContact O-CA 3.3Å; A830-A855 WeakPolarHBondContact O-CA 3.4Å; A830-V856 PolarHBondContact O-N 3.41Å
831	F	98.4	Very high	96.3	Very high	14 Å²	14	26.5 Å²	26.5	6%	0.061	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155.4	164.1	76.6	-81.4	0	0	0	111.8	V746 L747 H748 V749 W766 V856 M956 F960	V746-F831 HydrophobicContact CG1-CD1 3.48Å; V746-F831 VanDerWaalsContact CG1-CD1 3.48Å; V746-F831 HydrophobicContact CG1-CE1 3.62Å; L747-F831 PolarHBondContact O-N 2.71Å; H748-F831 HydrophobicContact CB-CE1 3.77Å; H748-F831 HydrophobicContact CB-CZ 3.75Å; H748-F831 AromaticContact CD2-CD2 3.91Å; H748-F831 AromaticContact CD2-CE2 3.21Å; H748-F831 WeakPolarHBondContact CD2-CE2 3.46Å; H748-F831 AromaticContact CD2-CZ 3.29Å; H748-F831 WeakPolarHBondContact CD2-CZ 3.43Å; H748-F831 AromaticContact CG-CZ 3.66Å; H748-F831 AromaticContact NE2-CE2 3.86Å; V749-F831 PolarHBondContact N-O 2.76Å; W766-F831 HydrophobicContact CE3-CE1 4.29Å; W766-F831 HydrophobicContact CE3-CE2 4.19Å; W766-F831 AromaticContact CE3-CZ 3.84Å; W766-F831 HydrophobicContact CE3-CZ 3.84Å; W766-F831 HydrophobicContact CZ3-CD1 4.22Å; W766-F831 HydrophobicContact CZ3-CD2 4.42Å; W766-F831 AromaticContact CZ3-CE1 3.89Å; W766-F831 HydrophobicContact CZ3-CE1 3.89Å; W766-F831 HydrophobicContact CZ3-CE2 4.09Å; W766-F831 HydrophobicContact CZ3-CG 4.47Å; W766-F831 AromaticContact CZ3-CZ 3.81Å; W766-F831 HydrophobicContact CZ3-CZ 3.81Å; F831-V856 VanDerWaalsContact CA-O 3.32Å; F831-V856 WeakPolarHBondContact CA-O 3.45Å; F831-V856 HydrophobicContact CB-CB 3.89Å; F831-M956 HydrophobicContact CB-CE 3.66Å; F831-M956 HydrophobicContact CD1-CE 4.33Å; F831-M956 HydrophobicContact CD2-CE 3.4Å; F831-M956 VanDerWaalsContact CD2-CE 3.4Å; F831-M956 HydrophobicContact CE2-CE 4.07Å; F831-M956 HydrophobicContact CG-CE 3.54Å; F831-F960 HydrophobicContact CB-CZ 4.19Å; F831-F960 HydrophobicContact CD1-CZ 4.04Å; F831-F960 HydrophobicContact CG-CZ 4.42Å
832	G	97.9	Very high	96.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	166.3	171.7	0	0	0	0	0	112.7	V749 G836 G837 V856 I858	V749-G832 WeakPolarHBondContact O-CA 3.18Å; G832-G836 VanDerWaalsContact C-C 3.47Å; G832-G836 VanDerWaalsContact CA-C 3.46Å; G832-G837 WeakPolarHBondContact O-CA 3.27Å; G832-V856 PolarHBondContact N-O 3.46Å; G832-I858 PolarHBondContact O-N 2.89Å
833	W	97.1	Very high	96.9	Very high	63 Å²	63	18.2 Å²	18.2	24%	0.239	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.4	-172.5	-157.7	-64.1	0	0	0	110.6	Y835 G836 I858 H943 A944 I945 L949 V952	W833-Y835 PolarHBondContact O-N 2.93Å; W833-Y835 VanDerWaalsContact O-N 3.11Å; W833-G836 WeakPolarHBondContact O-CA 3.44Å; W833-G836 PolarHBondContact O-N 2.84Å; W833-I858 CarbonylContact C-O 3.31Å; W833-I858 WeakPolarHBondContact CA-O 3.26Å; W833-I858 HydrophobicContact CD2-CB 3.88Å; W833-I858 HydrophobicContact CD2-CD1 4.33Å; W833-I858 HydrophobicContact CD2-CG2 3.69Å; W833-I858 HydrophobicContact CE3-CB 3.93Å; W833-I858 HydrophobicContact CE3-CD1 3.52Å; W833-I858 HydrophobicContact CE3-CG1 4.32Å; W833-I858 HydrophobicContact CE3-CG2 3.75Å; W833-I858 HydrophobicContact CG-CB 4.19Å; W833-I858 HydrophobicContact CG-CG2 4.39Å; W833-I858 HydrophobicContact CH2-CG2 3.87Å; W833-I858 HydrophobicContact CZ2-CG2 3.81Å; W833-I858 HydrophobicContact CZ3-CB 4.45Å; W833-I858 HydrophobicContact CZ3-CD1 3.75Å; W833-I858 HydrophobicContact CZ3-CG2 3.84Å; W833-H943 AromaticContact CD1-CE1 3.89Å; W833-H943 AromaticContact CD1-NE2 3.38Å; W833-H943 VanDerWaalsContact CE2-O 3.26Å; W833-H943 VanDerWaalsContact CZ2-O 3.26Å; W833-H943 WeakPolarHBondContact CZ2-O 3.1Å; W833-H943 AromaticContact NE1-CD2 3.77Å; W833-H943 AromaticContact NE1-CE1 3.91Å; W833-H943 AromaticContact NE1-NE2 3.5Å; W833-H943 PolarHBondContact NE1-O 3.46Å; W833-A944 WeakPolarHBondContact CH2-O 3.26Å; W833-I945 HydrophobicContact CH2-CB 4.21Å; W833-I945 HydrophobicContact CH2-CD1 4.13Å; W833-I945 HydrophobicContact CH2-CG1 4.24Å; W833-I945 HydrophobicContact CZ2-CB 4.28Å; W833-I945 HydrophobicContact CZ2-CD1 3.94Å; W833-I945 HydrophobicContact CZ2-CG1 3.91Å; W833-L949 HydrophobicContact CH2-CD1 4Å; W833-L949 HydrophobicContact CZ3-CD1 4.13Å; W833-V952 HydrophobicContact CZ3-CG1 4.45Å
834	G	97.1	Very high	97	Very high	4 Å²	4	18 Å²	18	4%	0.041	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	-113.3	179.7	0	0	0	0	0	112	G836 G837 Y838 I858 N859 P860 I861	G834-G836 VanDerWaalsContact C-N 3.32Å; G834-G837 PolarHBondContact O-N 2.84Å; G834-Y838 PolarHBondContact O-N 3.18Å; G834-Y838 VanDerWaalsContact O-N 3.14Å; G834-I858 PolarHBondContact N-O 3.26Å; G834-N859 WeakPolarHBondContact CA-O 3.36Å; G834-P860 WeakPolarHBondContact O-CA 3.09Å; G834-I861 PolarHBondContact O-N 3.35Å
835	Y	97.6	Very high	97.1	Very high	8 Å²	8	17.7 Å²	17.7	3%	0.031	9%	0.088	C	C	.	.	H	α-helix	trans	-66.6	-33	170.6	-165.5	-83.3	0	0	0	112.3	A751 S752 P753 L801 E805 W833 G837 Y838 A839 I861 F864 F871	A751-Y835 VanDerWaalsContact O-CE1 3.32Å; A751-Y835 WeakPolarHBondContact O-CE1 3.14Å; S752-Y835 WeakPolarHBondContact OG-CB 3.44Å; P753-Y835 HydrophobicContact CG-CE2 4.42Å; L801-Y835 HydrophobicContact CD1-CE2 4.29Å; E805-Y835 PolarHBondContact OE1-OH 3.33Å; E805-Y835 VanDerWaalsContact OE1-OH 3.07Å; W833-Y835 PolarHBondContact O-N 2.93Å; W833-Y835 VanDerWaalsContact O-N 3.11Å; Y835-G837 PolarHBondContact O-N 2.89Å; Y835-Y838 HydrophobicContact CD2-CD1 4.37Å; Y835-Y838 HydrophobicContact CE1-CD1 4.19Å; Y835-Y838 HydrophobicContact CE2-CD1 4.02Å; Y835-Y838 HydrophobicContact CE2-CE1 4.31Å; Y835-Y838 AromaticContact CZ-CD1 3.91Å; Y835-Y838 WeakPolarHBondContact O-CA 3.22Å; Y835-Y838 VanDerWaalsContact O-CB 3.28Å; Y835-Y838 WeakPolarHBondContact O-CB 3.46Å; Y835-Y838 PolarHBondContact O-N 2.92Å; Y835-Y838 VanDerWaalsContact O-N 3.14Å; Y835-A839 WeakPolarHBondContact O-CB 3.49Å; Y835-A839 PolarHBondContact O-N 2.72Å; Y835-I861 HydrophobicContact CD2-CD1 4.21Å; Y835-F864 AromaticContact CD2-CE1 3.98Å; Y835-F864 HydrophobicContact CD2-CE1 3.98Å; Y835-F864 HydrophobicContact CD2-CZ 4.13Å; Y835-F864 AromaticContact CE2-CE1 3.75Å; Y835-F864 HydrophobicContact CE2-CE1 3.75Å; Y835-F864 AromaticContact CE2-CZ 3.61Å; Y835-F864 HydrophobicContact CE2-CZ 3.61Å; Y835-F871 HydrophobicContact CD2-CE1 4.21Å; Y835-F871 AromaticContact CD2-CZ 3.68Å; Y835-F871 HydrophobicContact CD2-CZ 3.68Å; Y835-F871 HydrophobicContact CE2-CE1 4.28Å; Y835-F871 AromaticContact CE2-CZ 3.98Å; Y835-F871 HydrophobicContact CE2-CZ 3.98Å
836	G	97.6	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.2	-32.6	171.3	0	0	0	0	0	112.7	V749 D750 G832 W833 G834 A839 S840	V749-G836 VanDerWaalsContact O-CA 3.23Å; V749-G836 WeakPolarHBondContact O-CA 3.38Å; D750-G836 WeakPolarHBondContact O-CA 3.31Å; D750-G836 PolarHBondContact O-N 3.36Å; G832-G836 VanDerWaalsContact C-C 3.47Å; G832-G836 VanDerWaalsContact CA-C 3.46Å; W833-G836 WeakPolarHBondContact O-CA 3.44Å; W833-G836 PolarHBondContact O-N 2.84Å; G834-G836 VanDerWaalsContact C-N 3.32Å; G836-A839 PolarHBondContact O-N 2.81Å; G836-S840 WeakPolarHBondContact O-CB 3.36Å; G836-S840 PolarHBondContact O-N 3.27Å; G836-S840 PolarHBondContact O-OG 3.46Å
837	G	97.7	Very high	97.4	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-74.4	-30.9	174.4	0	0	0	0	0	112.9	G832 G834 Y835 S840 S841 A857	G832-G837 WeakPolarHBondContact O-CA 3.27Å; G834-G837 PolarHBondContact O-N 2.84Å; Y835-G837 PolarHBondContact O-N 2.89Å; G837-S840 PolarHBondContact O-OG 3.02Å; G837-S841 WeakPolarHBondContact O-CB 3.41Å; G837-S841 PolarHBondContact O-N 3.3Å; G837-S841 PolarHBondContact O-OG 2.99Å; G837-A857 WeakPolarHBondContact O-CB 3.49Å
838	Y	98.4	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.7	-52	167.1	167.6	-102.8	0	0	0	110.8	L801 G802 G834 Y835 S841 M842 I861 F864 A889 L891	L801-Y838 PolarHBondContact O-OH 2.94Å; G802-Y838 WeakPolarHBondContact CA-OH 3.3Å; G802-Y838 PolarHBondContact N-OH 2.81Å; G834-Y838 PolarHBondContact O-N 3.18Å; G834-Y838 VanDerWaalsContact O-N 3.14Å; Y835-Y838 HydrophobicContact CD2-CD1 4.37Å; Y835-Y838 HydrophobicContact CE1-CD1 4.19Å; Y835-Y838 HydrophobicContact CE2-CD1 4.02Å; Y835-Y838 HydrophobicContact CE2-CE1 4.31Å; Y835-Y838 AromaticContact CZ-CD1 3.91Å; Y835-Y838 WeakPolarHBondContact O-CA 3.22Å; Y835-Y838 VanDerWaalsContact O-CB 3.28Å; Y835-Y838 WeakPolarHBondContact O-CB 3.46Å; Y835-Y838 PolarHBondContact O-N 2.92Å; Y835-Y838 VanDerWaalsContact O-N 3.14Å; Y838-S841 WeakPolarHBondContact O-CB 3.32Å; Y838-S841 PolarHBondContact O-N 3.35Å; Y838-M842 HydrophobicContact CE2-CE 3.56Å; Y838-M842 WeakPolarHBondContact O-CB 3.1Å; Y838-M842 PolarHBondContact O-N 3.39Å; Y838-M842 VanDerWaalsContact OH-CE 3.27Å; Y838-M842 WeakPolarHBondContact OH-CE 3.48Å; Y838-I861 WeakPolarHBondContact CB-O 3.23Å; Y838-I861 WeakPolarHBondContact CD2-O 3.4Å; Y838-F864 HydrophobicContact CD1-CE2 4.41Å; Y838-F864 AromaticContact CD1-CZ 3.88Å; Y838-F864 HydrophobicContact CD1-CZ 3.88Å; Y838-F864 HydrophobicContact CD2-CE2 4.22Å; Y838-F864 HydrophobicContact CD2-CZ 4.2Å; Y838-F864 AromaticContact CE1-CE2 3.89Å; Y838-F864 HydrophobicContact CE1-CE2 3.89Å; Y838-F864 AromaticContact CE1-CZ 3.72Å; Y838-F864 HydrophobicContact CE1-CZ 3.72Å; Y838-F864 AromaticContact CE2-CE2 3.68Å; Y838-F864 HydrophobicContact CE2-CE2 3.68Å; Y838-F864 HydrophobicContact CE2-CZ 4.05Å; Y838-F864 HydrophobicContact CG-CZ 4.11Å; Y838-F864 AromaticContact CZ-CE2 3.49Å; Y838-F864 VanDerWaalsContact CZ-CE2 3.49Å; Y838-F864 AromaticContact CZ-CZ 3.81Å; Y838-A889 VanDerWaalsContact CE2-O 3.31Å; Y838-A889 WeakPolarHBondContact CE2-O 3.38Å; Y838-A889 WeakPolarHBondContact OH-CA 3.49Å; Y838-A889 WeakPolarHBondContact OH-CB 3.47Å; Y838-A889 PolarHBondContact OH-O 2.98Å; Y838-L891 HydrophobicContact CD2-CD1 3.74Å; Y838-L891 HydrophobicContact CD2-CD2 4.43Å; Y838-L891 HydrophobicContact CD2-CG 3.83Å; Y838-L891 HydrophobicContact CE2-CD1 4.37Å; Y838-L891 HydrophobicContact CE2-CD2 4.39Å; Y838-L891 HydrophobicContact CE2-CG 3.95Å
839	A	98	Very high	96.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-63.5	-43.9	-178.9	0	0	0	0	0	112.4	V749 A751 Y835 G836 S841 M842 M843	V749-A839 HydrophobicContact CG1-CB 3.66Å; A751-A839 HydrophobicContact CB-CB 4.1Å; Y835-A839 WeakPolarHBondContact O-CB 3.49Å; Y835-A839 PolarHBondContact O-N 2.72Å; G836-A839 PolarHBondContact O-N 2.81Å; A839-S841 VanDerWaalsContact C-N 3.32Å; A839-S841 PolarHBondContact O-N 3.49Å; A839-M842 PolarHBondContact O-N 3.26Å; A839-M842 VanDerWaalsContact O-N 3.17Å; A839-M843 VanDerWaalsContact O-CG 3.3Å; A839-M843 WeakPolarHBondContact O-CG 3.23Å; A839-M843 PolarHBondContact O-N 2.79Å
840	S	97.9	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-37	176.6	72.7	0	0	0	0	112.5	G836 G837 L844 V856	G836-S840 WeakPolarHBondContact O-CB 3.36Å; G836-S840 PolarHBondContact O-N 3.27Å; G836-S840 PolarHBondContact O-OG 3.46Å; G837-S840 PolarHBondContact O-OG 3.02Å; S840-L844 PolarHBondContact O-N 3.47Å; S840-V856 PolarHBondContact OG-O 2.85Å
841	S	97.9	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-42	172.9	-58.5	0	0	0	0	111.8	G837 Y838 A839 L844 I845 A857	G837-S841 WeakPolarHBondContact O-CB 3.41Å; G837-S841 PolarHBondContact O-N 3.3Å; G837-S841 PolarHBondContact O-OG 2.99Å; Y838-S841 WeakPolarHBondContact O-CB 3.32Å; Y838-S841 PolarHBondContact O-N 3.35Å; A839-S841 VanDerWaalsContact C-N 3.32Å; A839-S841 PolarHBondContact O-N 3.49Å; S841-L844 PolarHBondContact O-N 2.8Å; S841-I845 WeakPolarHBondContact O-CD1 3.39Å; S841-I845 WeakPolarHBondContact O-CG1 3.2Å; S841-I845 PolarHBondContact O-N 2.89Å; S841-A857 WeakPolarHBondContact OG-CB 3.47Å
842	M	97.6	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.2	-38.1	179	-159.5	66.1	83.6	0	0	112.4	G802 V806 Y838 A839 L844 I845 D846 L891 K894	G802-M842 WeakPolarHBondContact O-CG 3.16Å; V806-M842 HydrophobicContact CG1-CB 4.41Å; V806-M842 HydrophobicContact CG1-CG 4.22Å; V806-M842 HydrophobicContact CG2-CB 3.92Å; V806-M842 HydrophobicContact CG2-CG 3.9Å; Y838-M842 HydrophobicContact CE2-CE 3.56Å; Y838-M842 WeakPolarHBondContact O-CB 3.1Å; Y838-M842 PolarHBondContact O-N 3.39Å; Y838-M842 VanDerWaalsContact OH-CE 3.27Å; Y838-M842 WeakPolarHBondContact OH-CE 3.48Å; A839-M842 PolarHBondContact O-N 3.26Å; A839-M842 VanDerWaalsContact O-N 3.17Å; M842-L844 VanDerWaalsContact C-N 3.34Å; M842-L844 PolarHBondContact O-N 3.3Å; M842-I845 WeakPolarHBondContact O-CB 3.42Å; M842-I845 PolarHBondContact O-N 2.04Å; M842-I845 HydrophobicContact SD-CD1 4.15Å; M842-D846 PolarHBondContact O-N 2.68Å; M842-L891 HydrophobicContact CB-CD2 4.31Å; M842-L891 HydrophobicContact CE-CD2 3.58Å; M842-L891 HydrophobicContact CE-CG 4.26Å; M842-L891 HydrophobicContact SD-CD2 3.8Å; M842-K894 HydrophobicContact CE-CD 4.13Å; M842-K894 HydrophobicContact SD-CD 3.45Å; M842-K894 WeakPolarHBondContact SD-CD 3.32Å; M842-K894 PolarHBondContact SD-NZ 2.8Å
843	M	97.6	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-44.5	170.7	-71.9	-179.9	74	0	0	111.5	L747 V749 V806 Q809 L810 L813 A839 I845 D846 D847 L852	L747-M843 HydrophobicContact CD2-CE 3.59Å; L747-M843 HydrophobicContact CD2-SD 4.07Å; V749-M843 HydrophobicContact CG2-SD 3.99Å; V806-M843 HydrophobicContact CG1-CG 3.98Å; Q809-M843 HydrophobicContact CB-CE 3.55Å; Q809-M843 HydrophobicContact CB-CG 4.28Å; Q809-M843 HydrophobicContact CB-SD 3.52Å; Q809-M843 VanDerWaalsContact CB-SD 3.52Å; Q809-M843 HydrophobicContact CG-SD 4.16Å; L810-M843 HydrophobicContact CD2-CB 4.1Å; L810-M843 HydrophobicContact CD2-CE 3.65Å; L810-M843 HydrophobicContact CD2-CG 4.36Å; L810-M843 HydrophobicContact CG-CB 4.33Å; L810-M843 HydrophobicContact CG-CE 3.96Å; L810-M843 HydrophobicContact CG-CG 4.19Å; L813-M843 HydrophobicContact CD2-CE 4.15Å; A839-M843 VanDerWaalsContact O-CG 3.3Å; A839-M843 WeakPolarHBondContact O-CG 3.23Å; A839-M843 PolarHBondContact O-N 2.79Å; M843-I845 PolarHBondContact O-N 3.46Å; M843-D846 PolarHBondContact O-N 3.13Å; M843-D847 WeakPolarHBondContact O-CB 3.19Å; M843-D847 PolarHBondContact O-N 2.95Å; M843-L852 HydrophobicContact CB-CD1 3.81Å; M843-L852 HydrophobicContact CE-CD1 4.35Å
844	L	97.1	Very high	96.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-30	179.1	-167.8	72.5	0	0	0	112.8	S840 S841 M842 L852 A855 I898 R901 N902 L903	S840-L844 PolarHBondContact O-N 3.47Å; S841-L844 PolarHBondContact O-N 2.8Å; M842-L844 VanDerWaalsContact C-N 3.34Å; M842-L844 PolarHBondContact O-N 3.3Å; L844-L852 HydrophobicContact CD1-CB 4.15Å; L844-A855 HydrophobicContact CB-CB 4.01Å; L844-A855 HydrophobicContact CD1-CB 4.21Å; L844-A855 HydrophobicContact CD2-CB 4.03Å; L844-A855 HydrophobicContact CG-CB 4.3Å; L844-I898 HydrophobicContact CD2-CG2 4.07Å; L844-R901 HydrophobicContact CD1-CB 4.17Å; L844-R901 HydrophobicContact CD2-CB 3.92Å; L844-R901 HydrophobicContact CG-CB 3.94Å; L844-R901 PolarHBondContact O-NE 3.13Å; L844-R901 PolarHBondContact O-NH2 2.9Å; L844-N902 WeakPolarHBondContact CD2-O 2.99Å; L844-L903 HydrophobicContact CD2-CB 3.93Å; L844-L903 HydrophobicContact CD2-CD1 4.16Å
845	I	96.2	Very high	96.1	Very high	16 Å²	16	24.7 Å²	24.7	8%	0.082	13%	0.131	C	C	.	.	H	α-helix	trans	-75.4	-51.1	176.8	-71.5	160.5	0	0	0	112.3	S841 M842 M843 L891 K894 N897 I898	S841-I845 WeakPolarHBondContact O-CD1 3.39Å; S841-I845 WeakPolarHBondContact O-CG1 3.2Å; S841-I845 PolarHBondContact O-N 2.89Å; M842-I845 WeakPolarHBondContact O-CB 3.42Å; M842-I845 PolarHBondContact O-N 2.04Å; M842-I845 HydrophobicContact SD-CD1 4.15Å; M843-I845 PolarHBondContact O-N 3.46Å; I845-L891 HydrophobicContact CD1-CD2 3.55Å; I845-K894 HydrophobicContact CD1-CB 3.88Å; I845-K894 HydrophobicContact CD1-CD 4.47Å; I845-K894 HydrophobicContact CG2-CB 4.12Å; I845-K894 HydrophobicContact CG2-CD 4.04Å; I845-N897 HydrophobicContact CG2-CB 3.81Å; I845-I898 HydrophobicContact CD1-CD1 3.97Å; I845-I898 HydrophobicContact CD1-CG1 4.2Å; I845-I898 HydrophobicContact CG1-CD1 3.77Å; I845-I898 HydrophobicContact CG1-CG1 3.53Å
846	D	95.4	Very high	96.2	Very high	65 Å²	65	24.3 Å²	24.3	35%	0.348	13%	0.13	S	C	.	.	H	α-helix	trans	-90.3	-3.3	-170.5	-69.4	-32.9	0	0	0	112.9	V806 L810 M842 M843 S848 K894	V806-D846 HydrophobicContact CG1-CB 4.49Å; L810-D846 HydrophobicContact CD1-CB 4.47Å; M842-D846 PolarHBondContact O-N 2.68Å; M843-D846 PolarHBondContact O-N 3.13Å; D846-S848 VanDerWaalsContact C-N 3.31Å; D846-S848 PolarHBondContact O-N 2.59Å; D846-K894 IonicContact OD2-NZ 2.69Å; D846-K894 PolarHBondContact OD2-NZ 2.87Å
847	D	95.8	Very high	96.2	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.064	13%	0.13	C	C	.	.			trans	-68.1	79.1	172.9	174.9	23.7	0	0	0	113.3	L810 M843 Q849 Q850 V851 L852 R901	L810-D847 HydrophobicContact CD1-CB 4.31Å; L810-D847 HydrophobicContact CD2-CB 3.88Å; M843-D847 WeakPolarHBondContact O-CB 3.19Å; M843-D847 PolarHBondContact O-N 2.95Å; D847-Q849 PolarHBondContact O-N 2.85Å; D847-Q849 PolarHBondContact OD1-N 3.46Å; D847-Q850 PolarHBondContact O-N 2.69Å; D847-Q850 WeakPolarHBondContact OD1-CA 3.39Å; D847-Q850 PolarHBondContact OD1-N 3.12Å; D847-Q850 VanDerWaalsContact OD2-C 3.28Å; D847-Q850 VanDerWaalsContact OD2-CA 3.25Å; D847-Q850 WeakPolarHBondContact OD2-CA 3.44Å; D847-V851 VanDerWaalsContact CG-N 3.3Å; D847-V851 WeakPolarHBondContact OD1-CG2 3.21Å; D847-V851 PolarHBondContact OD1-N 2.79Å; D847-V851 PolarHBondContact OD2-N 2.82Å; D847-L852 PolarHBondContact OD2-N 2.79Å; D847-R901 IonicContact OD2-CZ 3.38Å; D847-R901 IonicContact OD2-NH1 3.78Å; D847-R901 IonicContact OD2-NH2 3.34Å; D847-R901 PolarHBondContact OD2-NH2 3.39Å
848	S	91.1	Very high	96.3	Very high	117 Å²	117	24.3 Å²	24.3	82%	0.818	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13	173.6	55.8	0	0	0	0	115.2	D846	D846-S848 VanDerWaalsContact C-N 3.31Å; D846-S848 PolarHBondContact O-N 2.59Å
849	Q	90.6	Very high	96.2	Very high	106 Å²	106	24.3 Å²	24.3	50%	0.495	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.7	177	-77.5	-169.6	53	0	0	113.4	D847 V851	D847-Q849 PolarHBondContact O-N 2.85Å; D847-Q849 PolarHBondContact OD1-N 3.46Å; Q849-V851 VanDerWaalsContact C-N 3.27Å; Q849-V851 HydrophobicContact CB-CG2 3.75Å; Q849-V851 PolarHBondContact O-N 2.81Å
850	Q	91.5	Very high	96.2	Very high	129 Å²	129	24.3 Å²	24.3	60%	0.603	13%	0.129	S	C	*	.			trans	55.8	40.3	-171.1	-55.9	-172.3	-6.7	0	0	112.7	D847 L852	D847-Q850 PolarHBondContact O-N 2.69Å; D847-Q850 WeakPolarHBondContact OD1-CA 3.39Å; D847-Q850 PolarHBondContact OD1-N 3.12Å; D847-Q850 VanDerWaalsContact OD2-C 3.28Å; D847-Q850 VanDerWaalsContact OD2-CA 3.25Å; D847-Q850 WeakPolarHBondContact OD2-CA 3.44Å; Q850-L852 VanDerWaalsContact C-N 3.3Å
851	V	94.3	Very high	96.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	13%	0.13	C	C	.	.			trans	-60.7	-39.4	172.3	-167.8	0	0	0	0	111.3	L813 I828 D847 Q849	L813-V851 HydrophobicContact CD2-CB 4.4Å; L813-V851 HydrophobicContact CD2-CG1 3.73Å; L813-V851 HydrophobicContact CG-CG1 3.77Å; I828-V851 WeakPolarHBondContact CB-O 3.39Å; I828-V851 HydrophobicContact CD1-CG1 4.17Å; D847-V851 VanDerWaalsContact CG-N 3.3Å; D847-V851 WeakPolarHBondContact OD1-CG2 3.21Å; D847-V851 PolarHBondContact OD1-N 2.79Å; D847-V851 PolarHBondContact OD2-N 2.82Å; Q849-V851 VanDerWaalsContact C-N 3.27Å; Q849-V851 HydrophobicContact CB-CG2 3.75Å; Q849-V851 PolarHBondContact O-N 2.81Å
852	L	96.3	Very high	96.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.			trans	-91.8	128.2	179.5	-67.8	172.9	0	0	0	110.8	L810 L813 I828 A830 M843 L844 D847 Q850 R901	L810-L852 HydrophobicContact CD2-CD1 4.49Å; L813-L852 HydrophobicContact CD2-CD2 3.73Å; L813-L852 HydrophobicContact CD2-CG 4.12Å; I828-L852 HydrophobicContact CG2-CD2 4.17Å; A830-L852 HydrophobicContact CB-CD1 4.29Å; A830-L852 HydrophobicContact CB-CD2 3.79Å; M843-L852 HydrophobicContact CB-CD1 3.81Å; M843-L852 HydrophobicContact CE-CD1 4.35Å; L844-L852 HydrophobicContact CD1-CB 4.15Å; D847-L852 PolarHBondContact OD2-N 2.79Å; Q850-L852 VanDerWaalsContact C-N 3.3Å; L852-R901 PolarHBondContact O-NH1 3.45Å; L852-R901 PolarHBondContact O-NH2 2.95Å
853	Q	95.6	Very high	96.2	Very high	60 Å²	60	25.5 Å²	25.5	28%	0.28	14%	0.136	S	C	.	.	S	Bend	trans	-83.5	-33	165.8	-61.9	-52.9	-24.2	0	0	112.4	L826 I828 N902	L826-Q853 WeakPolarHBondContact O-CG 3.34Å; I828-Q853 PolarHBondContact O-N 3.3Å; Q853-N902 WeakPolarHBondContact O-CB 3.23Å; Q853-N902 PolarHBondContact O-ND2 3.1Å
854	C	96.8	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.5	178.4	80.9	0	0	0	0	114.4	C829 A830 N902 Y959 C963	C829-C854 VanDerWaalsContact CA-O 3.27Å; C829-C854 WeakPolarHBondContact CA-O 3.44Å; C829-C854 HydrophobicContact CB-CB 4.3Å; C829-C854 WeakPolarHBondContact CB-O 3.17Å; C829-C854 WeakPolarHBondContact CB-SG 3.12Å; C829-C854 VanDerWaalsContact SG-CA 3.59Å; C829-C854 WeakPolarHBondContact SG-CB 3.25Å; C829-C854 PolarHBondContact SG-N 2.88Å; C829-C854 VanDerWaalsContact SG-N 3.36Å; C829-C854 CovalentContact SG-SG 2.04Å; C829-C854 PolarHBondContact SG-SG 2.85Å; A830-C854 PolarHBondContact N-O 2.72Å; C854-N902 CarbonylContact C-O 3.6Å; C854-N902 VanDerWaalsContact CA-O 3.27Å; C854-N902 WeakPolarHBondContact CA-O 3.43Å; C854-N902 HydrophobicContact CB-CB 3.77Å; C854-Y959 HydrophobicContact CB-CE1 4.03Å; C854-C963 HydrophobicContact CB-CB 3.64Å; C854-C963 WeakPolarHBondContact CB-SG 3.43Å; C854-C963 VanDerWaalsContact SG-CB 3.53Å
855	A	98.1	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.2	168.3	0	0	0	0	0	112	A830 L844 N902 L903 M904	A830-A855 CarbonylContact O-C 3.57Å; A830-A855 VanDerWaalsContact O-CA 3.3Å; A830-A855 WeakPolarHBondContact O-CA 3.4Å; L844-A855 HydrophobicContact CB-CB 4.01Å; L844-A855 HydrophobicContact CD1-CB 4.21Å; L844-A855 HydrophobicContact CD2-CB 4.03Å; L844-A855 HydrophobicContact CG-CB 4.3Å; A855-N902 PolarHBondContact N-O 3.4Å; A855-L903 HydrophobicContact CB-CD1 4.37Å; A855-M904 PolarHBondContact O-N 2.71Å
856	V	98.6	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.8	168	-174.2	0	0	0	0	109.4	A830 F831 G832 S840 I858 M904 M906 M956 Y959 F960	A830-V856 PolarHBondContact O-N 3.41Å; F831-V856 VanDerWaalsContact CA-O 3.32Å; F831-V856 WeakPolarHBondContact CA-O 3.45Å; F831-V856 HydrophobicContact CB-CB 3.89Å; G832-V856 PolarHBondContact N-O 3.46Å; S840-V856 PolarHBondContact OG-O 2.85Å; V856-I858 HydrophobicContact CG1-CG1 4.04Å; V856-M904 WeakPolarHBondContact CA-O 3.42Å; V856-M904 HydrophobicContact CG2-CB 4.35Å; V856-M906 HydrophobicContact CG1-CE 4.14Å; V856-M956 HydrophobicContact CG1-CE 4.29Å; V856-M956 HydrophobicContact CG1-CG 4.29Å; V856-Y959 HydrophobicContact CG2-CD1 3.59Å; V856-Y959 HydrophobicContact CG2-CE1 3.91Å; V856-F960 HydrophobicContact CG2-CE1 3.81Å; V856-F960 HydrophobicContact CG2-CZ 4.42Å
857	A	98.4	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114	178	0	0	0	0	0	109.8	G837 S841 P860 M904 L905 M906	G837-A857 WeakPolarHBondContact O-CB 3.49Å; S841-A857 WeakPolarHBondContact OG-CB 3.47Å; A857-P860 HydrophobicContact CB-CB 4.01Å; A857-P860 HydrophobicContact CB-CG 4.03Å; A857-M904 PolarHBondContact N-O 3.33Å; A857-L905 HydrophobicContact CB-CD2 4.05Å; A857-M906 PolarHBondContact O-N 2.78Å
858	I	98.5	Very high	95.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.4	-175.8	-46.2	173.7	0	0	0	109.1	G832 W833 G834 V856 P860 M906 I945 V952 M956	G832-I858 PolarHBondContact O-N 2.89Å; W833-I858 CarbonylContact C-O 3.31Å; W833-I858 WeakPolarHBondContact CA-O 3.26Å; W833-I858 HydrophobicContact CD2-CB 3.88Å; W833-I858 HydrophobicContact CD2-CD1 4.33Å; W833-I858 HydrophobicContact CD2-CG2 3.69Å; W833-I858 HydrophobicContact CE3-CB 3.93Å; W833-I858 HydrophobicContact CE3-CD1 3.52Å; W833-I858 HydrophobicContact CE3-CG1 4.32Å; W833-I858 HydrophobicContact CE3-CG2 3.75Å; W833-I858 HydrophobicContact CG-CB 4.19Å; W833-I858 HydrophobicContact CG-CG2 4.39Å; W833-I858 HydrophobicContact CH2-CG2 3.87Å; W833-I858 HydrophobicContact CZ2-CG2 3.81Å; W833-I858 HydrophobicContact CZ3-CB 4.45Å; W833-I858 HydrophobicContact CZ3-CD1 3.75Å; W833-I858 HydrophobicContact CZ3-CG2 3.84Å; G834-I858 PolarHBondContact N-O 3.26Å; V856-I858 HydrophobicContact CG1-CG1 4.04Å; I858-P860 VanDerWaalsContact C-N 3.26Å; I858-M906 WeakPolarHBondContact CA-O 3.35Å; I858-M906 HydrophobicContact CB-CB 4.5Å; I858-M906 HydrophobicContact CG1-CB 4.34Å; I858-M906 HydrophobicContact CG2-CB 4.16Å; I858-I945 HydrophobicContact CG2-CD1 3.87Å; I858-V952 HydrophobicContact CD1-CG1 4.19Å; I858-M956 HydrophobicContact CD1-CE 3.79Å; I858-M956 HydrophobicContact CD1-SD 3.65Å
859	N	97.9	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	42.1	46.6	-173	-66.3	-15.6	0	0	0	113.4	G834 M906 H907 G908 D911 V914 D942 H943	G834-N859 WeakPolarHBondContact CA-O 3.36Å; N859-M906 PolarHBondContact N-O 2.76Å; N859-H907 VanDerWaalsContact OD1-CA 3.25Å; N859-H907 WeakPolarHBondContact OD1-CA 3.39Å; N859-G908 PolarHBondContact OD1-N 3.39Å; N859-D911 VanDerWaalsContact CB-OD2 3.29Å; N859-D911 WeakPolarHBondContact CB-OD2 3.19Å; N859-D911 PolarHBondContact ND2-OD2 3.2Å; N859-V914 VanDerWaalsContact O-CG1 3.3Å; N859-V914 WeakPolarHBondContact O-CG1 3.36Å; N859-D942 PolarHBondContact ND2-O 2.98Å; N859-H943 WeakPolarHBondContact ND2-CA 3.15Å; N859-H943 PolarHBondContact ND2-O 2.94Å
860	P	98.1	Very high	96.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.			trans	-73.3	139.3	-166.5	29	-36	0	0	0	113.5	G834 A857 I858 L905 H918 T919	G834-P860 WeakPolarHBondContact O-CA 3.09Å; A857-P860 HydrophobicContact CB-CB 4.01Å; A857-P860 HydrophobicContact CB-CG 4.03Å; I858-P860 VanDerWaalsContact C-N 3.26Å; P860-L905 HydrophobicContact CG-CD2 4.43Å; P860-H918 WeakPolarHBondContact O-CB 3.4Å; P860-T919 WeakPolarHBondContact CD-OG1 3.44Å; P860-T919 WeakPolarHBondContact CG-OG1 3.48Å
861	I	98.2	Very high	96.2	Very high	4 Å²	4	11 Å²	11	2%	0.021	6%	0.056	C	C	.	.			trans	-68.4	134.2	164.3	-55.5	169.3	0	0	0	107.7	G834 Y835 Y838 F864 V914	G834-I861 PolarHBondContact O-N 3.35Å; Y835-I861 HydrophobicContact CD2-CD1 4.21Å; Y838-I861 WeakPolarHBondContact CB-O 3.23Å; Y838-I861 WeakPolarHBondContact CD2-O 3.4Å; I861-F864 HydrophobicContact CB-CE1 4.48Å; I861-F864 HydrophobicContact CD1-CE1 4.28Å; I861-F864 HydrophobicContact CG2-CD1 3.87Å; I861-F864 HydrophobicContact CG2-CE1 3.71Å; I861-F864 HydrophobicContact CG2-CG 4.44Å; I861-F864 HydrophobicContact CG2-CZ 4.16Å; I861-V914 HydrophobicContact CB-CG1 4.32Å; I861-V914 HydrophobicContact CD1-CG2 4.39Å; I861-V914 HydrophobicContact CG1-CB 4.43Å; I861-V914 HydrophobicContact CG1-CG1 3.67Å; I861-V914 HydrophobicContact CG1-CG2 3.78Å
862	V	97.6	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.			trans	-118.4	-33.7	-174.8	163.4	0	0	0	0	113.4	L891 T892 H918 M921 L922	V862-L891 HydrophobicContact CG1-CB 4.3Å; V862-L891 HydrophobicContact CG2-CD1 4.33Å; V862-L891 PolarHBondContact O-N 3.07Å; V862-T892 HydrophobicContact CG1-CG2 3.52Å; V862-H918 HydrophobicContact CB-CB 3.92Å; V862-H918 WeakPolarHBondContact CB-O 3.16Å; V862-H918 WeakPolarHBondContact CG1-O 3.14Å; V862-H918 HydrophobicContact CG2-CB 4.11Å; V862-H918 VanDerWaalsContact CG2-O 3.28Å; V862-H918 WeakPolarHBondContact CG2-O 3.45Å; V862-M921 HydrophobicContact CG1-CB 4.42Å; V862-L922 HydrophobicContact CB-CB 4.49Å; V862-L922 HydrophobicContact CG1-CB 3.85Å; V862-L922 HydrophobicContact CG2-CB 3.8Å; V862-L922 HydrophobicContact CG2-CD2 4.03Å
863	N	96.4	Very high	96	Very high	22 Å²	22	11.2 Å²	11.2	12%	0.118	6%	0.057	C	C	.	.			trans	-151.1	118.6	178	171.5	-42.9	0	0	0	107.4	G865 F866 D890 H918 M921	N863-G865 PolarHBondContact O-N 3.48Å; N863-G865 WeakPolarHBondContact OD1-CA 3.17Å; N863-G865 PolarHBondContact OD1-N 2.84Å; N863-F866 HydrophobicContact CB-CD2 4.2Å; N863-F866 PolarHBondContact O-N 2.89Å; N863-F866 VanDerWaalsContact O-N 3.14Å; N863-D890 PolarHBondContact ND2-OD2 3.07Å; N863-H918 PolarHBondContact O-CE1 2.95Å; N863-H918 VanDerWaalsContact O-CE1 3.22Å; N863-M921 HydrophobicContact CB-CE 4.07Å
864	F	96.1	Very high	95.8	Very high	1 Å²	1	8.6 Å²	8.6	0%	0.004	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-67.6	-17.9	-174	-64.2	-82.3	0	0	0	114.2	T381 L801 Y835 Y838 I861 F866 H867 F871 T872 I876 L886 A889	T381-F864 PolarHBondContact OG1-O 2.67Å; L801-F864 HydrophobicContact CB-CE2 4.33Å; L801-F864 HydrophobicContact CB-CZ 4.49Å; L801-F864 HydrophobicContact CD1-CD1 4.21Å; L801-F864 HydrophobicContact CD1-CD2 4.49Å; L801-F864 HydrophobicContact CD1-CE1 3.96Å; L801-F864 HydrophobicContact CD1-CE2 4.25Å; L801-F864 HydrophobicContact CD1-CG 4.48Å; L801-F864 HydrophobicContact CD1-CZ 3.99Å; Y835-F864 AromaticContact CD2-CE1 3.98Å; Y835-F864 HydrophobicContact CD2-CE1 3.98Å; Y835-F864 HydrophobicContact CD2-CZ 4.13Å; Y835-F864 AromaticContact CE2-CE1 3.75Å; Y835-F864 HydrophobicContact CE2-CE1 3.75Å; Y835-F864 AromaticContact CE2-CZ 3.61Å; Y835-F864 HydrophobicContact CE2-CZ 3.61Å; Y838-F864 HydrophobicContact CD1-CE2 4.41Å; Y838-F864 AromaticContact CD1-CZ 3.88Å; Y838-F864 HydrophobicContact CD1-CZ 3.88Å; Y838-F864 HydrophobicContact CD2-CE2 4.22Å; Y838-F864 HydrophobicContact CD2-CZ 4.2Å; Y838-F864 AromaticContact CE1-CE2 3.89Å; Y838-F864 HydrophobicContact CE1-CE2 3.89Å; Y838-F864 AromaticContact CE1-CZ 3.72Å; Y838-F864 HydrophobicContact CE1-CZ 3.72Å; Y838-F864 AromaticContact CE2-CE2 3.68Å; Y838-F864 HydrophobicContact CE2-CE2 3.68Å; Y838-F864 HydrophobicContact CE2-CZ 4.05Å; Y838-F864 HydrophobicContact CG-CZ 4.11Å; Y838-F864 AromaticContact CZ-CE2 3.49Å; Y838-F864 VanDerWaalsContact CZ-CE2 3.49Å; Y838-F864 AromaticContact CZ-CZ 3.81Å; I861-F864 HydrophobicContact CB-CE1 4.48Å; I861-F864 HydrophobicContact CD1-CE1 4.28Å; I861-F864 HydrophobicContact CG2-CD1 3.87Å; I861-F864 HydrophobicContact CG2-CE1 3.71Å; I861-F864 HydrophobicContact CG2-CG 4.44Å; I861-F864 HydrophobicContact CG2-CZ 4.16Å; F864-F866 PolarHBondContact O-N 2.58Å; F864-H867 PolarHBondContact O-N 3.42Å; F864-H867 VanDerWaalsContact O-N 3.16Å; F864-F871 HydrophobicContact CD1-CD1 4.4Å; F864-F871 HydrophobicContact CD1-CE1 4.06Å; F864-F871 AromaticContact CE1-CE1 3.83Å; F864-F871 HydrophobicContact CE1-CE1 3.83Å; F864-T872 HydrophobicContact CB-CG2 3.65Å; F864-T872 PolarHBondContact O-OG1 2.83Å; F864-I876 HydrophobicContact CB-CD1 4.21Å; F864-I876 HydrophobicContact CD2-CD1 4.16Å; F864-I876 HydrophobicContact CG-CD1 4.28Å; F864-L886 HydrophobicContact CB-CD2 3.9Å; F864-A889 HydrophobicContact CD2-CB 3.95Å; F864-A889 HydrophobicContact CE2-CB 3.98Å
865	G	94.4	Very high	95.5	Very high	21 Å²	21	8.7 Å²	8.7	22%	0.216	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.8	171.7	0	0	0	0	0	113.8	N863	N863-G865 PolarHBondContact O-N 3.48Å; N863-G865 WeakPolarHBondContact OD1-CA 3.17Å; N863-G865 PolarHBondContact OD1-N 2.84Å
866	F	94.9	Very high	95.2	Very high	74 Å²	74	8.8 Å²	8.8	33%	0.325	5%	0.045	S	C	.	.	G	3₁₀ helix	trans	-96.3	-11.9	176.1	-69.8	-99.7	0	0	0	113.6	K380 N863 F864 E917 M921	K380-F866 WeakPolarHBondContact CD-O 3.12Å; K380-F866 VanDerWaalsContact CE-O 3.27Å; K380-F866 WeakPolarHBondContact CE-O 3.46Å; K380-F866 WeakPolarHBondContact CG-O 3.46Å; N863-F866 HydrophobicContact CB-CD2 4.2Å; N863-F866 PolarHBondContact O-N 2.89Å; N863-F866 VanDerWaalsContact O-N 3.14Å; F864-F866 PolarHBondContact O-N 2.58Å; F866-E917 HydrophobicContact CD1-CG 4.46Å; F866-E917 WeakPolarHBondContact CD1-OE2 3.4Å; F866-M921 HydrophobicContact CD1-SD 4.21Å; F866-M921 HydrophobicContact CD2-CE 3.88Å; F866-M921 HydrophobicContact CD2-SD 4.02Å; F866-M921 HydrophobicContact CE1-SD 4.17Å; F866-M921 HydrophobicContact CE2-CE 3.62Å; F866-M921 HydrophobicContact CE2-SD 3.99Å; F866-M921 HydrophobicContact CG-SD 4.15Å; F866-M921 HydrophobicContact CZ-CE 4.12Å; F866-M921 HydrophobicContact CZ-SD 4.07Å
867	H	95.6	Very high	94.6	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.023	6%	0.058	C	C	.	.	S	Bend	trans	-83.2	173.4	177.4	-159.9	50.6	0	0	0	111.5	Y378 K380 T381 F864 F871 L913	Y378-H867 PolarHBondContact OH-ND1 2.6Å; K380-H867 WeakPolarHBondContact CA-O 3.46Å; T381-H867 PolarHBondContact N-O 3.28Å; T381-H867 PolarHBondContact OG1-O 3.31Å; T381-H867 VanDerWaalsContact OG1-O 3.09Å; F864-H867 PolarHBondContact O-N 3.42Å; F864-H867 VanDerWaalsContact O-N 3.16Å; H867-F871 AromaticContact CD2-CD1 3.77Å; H867-F871 AromaticContact CD2-CG 3.95Å; H867-L913 PolarHBondContact CE1-O 2.96Å; H867-L913 PolarHBondContact ND1-O 3.1Å
868	Y	94.1	Very high	93.8	Very high	18 Å²	18	14 Å²	14	7%	0.071	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-73.7	145.7	-173.3	67.6	-89.1	0	0	0	113.7	W322 V327 Y378 P379 F870 F871 T872 L913	W322-Y868 HydrophobicContact CH2-CD1 4.15Å; W322-Y868 HydrophobicContact CH2-CG 4.46Å; W322-Y868 HydrophobicContact CZ3-CG 4.41Å; V327-Y868 HydrophobicContact CG2-CD2 4.39Å; V327-Y868 HydrophobicContact CG2-CE2 3.59Å; Y378-Y868 PolarHBondContact OH-N 2.8Å; P379-Y868 CarbonylContact O-C 3.59Å; P379-Y868 WeakPolarHBondContact O-CA 3.29Å; Y868-F870 HydrophobicContact CD2-CB 3.94Å; Y868-F870 HydrophobicContact CE2-CB 4.03Å; Y868-F870 HydrophobicContact CE2-CD1 4.32Å; Y868-F870 PolarHBondContact O-N 2.84Å; Y868-F871 HydrophobicContact CD1-CB 4.49Å; Y868-F871 HydrophobicContact CD2-CB 4.02Å; Y868-F871 HydrophobicContact CE1-CB 4.05Å; Y868-F871 HydrophobicContact CE2-CB 3.51Å; Y868-F871 HydrophobicContact CG-CB 4.48Å; Y868-F871 PolarHBondContact O-N 2.91Å; Y868-T872 PolarHBondContact O-N 3.13Å; Y868-L913 HydrophobicContact CD1-CD1 4.45Å; Y868-L913 HydrophobicContact CE1-CD1 3.91Å
869	S	93.2	Very high	92.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.1	-43.6	-170.6	56	0	0	0	0	113.6	P379 N385 F871 T872 E873	P379-S869 PolarHBondContact O-N 3.24Å; P379-S869 PolarHBondContact O-OG 2.94Å; N385-S869 WeakPolarHBondContact OD1-CB 3.44Å; N385-S869 PolarHBondContact OD1-OG 3.37Å; S869-F871 VanDerWaalsContact C-N 3.31Å; S869-F871 PolarHBondContact O-N 3.31Å; S869-T872 PolarHBondContact O-N 2.9Å; S869-E873 VanDerWaalsContact CB-OE1 3.25Å; S869-E873 WeakPolarHBondContact CB-OE1 3.39Å; S869-E873 VanDerWaalsContact O-CB 3.27Å; S869-E873 WeakPolarHBondContact O-CB 3.41Å; S869-E873 VanDerWaalsContact O-CG 3.27Å; S869-E873 WeakPolarHBondContact O-CG 3.36Å; S869-E873 PolarHBondContact O-N 3.16Å
870	F	93	Very high	92	Very high	1 Å²	1	24 Å²	24	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-35.7	-177.5	-177.2	-84.5	0	0	0	113.2	M323 V327 L330 Y417 Q438 P469 Y868	M323-F870 HydrophobicContact SD-CB 4.15Å; V327-F870 HydrophobicContact CB-CD1 4.32Å; V327-F870 HydrophobicContact CB-CE1 4.37Å; V327-F870 HydrophobicContact CG1-CD1 3.5Å; V327-F870 VanDerWaalsContact CG1-CD1 3.5Å; V327-F870 HydrophobicContact CG1-CE1 3.14Å; V327-F870 HydrophobicContact CG1-CE2 4.35Å; V327-F870 HydrophobicContact CG1-CG 4.24Å; V327-F870 HydrophobicContact CG1-CZ 3.63Å; V327-F870 HydrophobicContact CG2-CB 4.43Å; V327-F870 HydrophobicContact CG2-CD1 3.76Å; V327-F870 HydrophobicContact CG2-CE1 4.29Å; V327-F870 HydrophobicContact CG2-CG 4.2Å; L330-F870 HydrophobicContact CD1-CD2 4.08Å; L330-F870 HydrophobicContact CD1-CE2 3.79Å; L330-F870 HydrophobicContact CD1-CZ 4.16Å; L330-F870 HydrophobicContact CD2-CE2 3.93Å; L330-F870 HydrophobicContact CD2-CZ 4.23Å; L330-F870 HydrophobicContact CG-CE2 3.94Å; L330-F870 HydrophobicContact CG-CZ 3.96Å; Y417-F870 HydrophobicContact CD1-CD2 4.01Å; Y417-F870 AromaticContact CD2-CD2 3.8Å; Y417-F870 HydrophobicContact CD2-CD2 3.8Å; Y417-F870 AromaticContact CD2-CE2 3.94Å; Y417-F870 HydrophobicContact CD2-CE2 3.94Å; Y417-F870 HydrophobicContact CE1-CB 4.43Å; Y417-F870 AromaticContact CE1-CD2 3.85Å; Y417-F870 HydrophobicContact CE1-CD2 3.85Å; Y417-F870 AromaticContact CE2-CD2 3.62Å; Y417-F870 HydrophobicContact CE2-CD2 3.62Å; Y417-F870 HydrophobicContact CE2-CE2 4.16Å; Y417-F870 AromaticContact CG-CD2 3.98Å; Y417-F870 HydrophobicContact CG-CD2 3.98Å; Y417-F870 HydrophobicContact CG-CE2 4.16Å; Y417-F870 AromaticContact CZ-CD2 3.66Å; Q438-F870 HydrophobicContact CG-CE2 4.45Å; Q438-F870 PolarHBondContact NE2-O 3.28Å; Q438-F870 VanDerWaalsContact OE1-CZ 3.25Å; P469-F870 HydrophobicContact CG-CZ 4.46Å; Y868-F870 HydrophobicContact CD2-CB 3.94Å; Y868-F870 HydrophobicContact CE2-CB 4.03Å; Y868-F870 HydrophobicContact CE2-CD1 4.32Å; Y868-F870 PolarHBondContact O-N 2.84Å
871	F	93.6	Very high	91.2	Very high	22 Å²	22	28.7 Å²	28.7	10%	0.096	17%	0.165	C	C	.	.	H	α-helix	trans	-77.3	-56.8	174.6	-176.9	-78	0	0	0	111	L801 Y835 F864 H867 Y868 S869 E873 R874 Y875	L801-F871 HydrophobicContact CD1-CE1 4.33Å; Y835-F871 HydrophobicContact CD2-CE1 4.21Å; Y835-F871 AromaticContact CD2-CZ 3.68Å; Y835-F871 HydrophobicContact CD2-CZ 3.68Å; Y835-F871 HydrophobicContact CE2-CE1 4.28Å; Y835-F871 AromaticContact CE2-CZ 3.98Å; Y835-F871 HydrophobicContact CE2-CZ 3.98Å; F864-F871 HydrophobicContact CD1-CD1 4.4Å; F864-F871 HydrophobicContact CD1-CE1 4.06Å; F864-F871 AromaticContact CE1-CE1 3.83Å; F864-F871 HydrophobicContact CE1-CE1 3.83Å; H867-F871 AromaticContact CD2-CD1 3.77Å; H867-F871 AromaticContact CD2-CG 3.95Å; Y868-F871 HydrophobicContact CD1-CB 4.49Å; Y868-F871 HydrophobicContact CD2-CB 4.02Å; Y868-F871 HydrophobicContact CE1-CB 4.05Å; Y868-F871 HydrophobicContact CE2-CB 3.51Å; Y868-F871 HydrophobicContact CG-CB 4.48Å; Y868-F871 PolarHBondContact O-N 2.91Å; S869-F871 VanDerWaalsContact C-N 3.31Å; S869-F871 PolarHBondContact O-N 3.31Å; F871-E873 PolarHBondContact O-N 3.14Å; F871-R874 WeakPolarHBondContact O-CB 3.24Å; F871-R874 PolarHBondContact O-N 2.91Å; F871-Y875 AromaticContact CD1-CD2 3.74Å; F871-Y875 HydrophobicContact CD1-CD2 3.74Å; F871-Y875 AromaticContact CD1-CE2 3.83Å; F871-Y875 HydrophobicContact CD1-CE2 3.83Å; F871-Y875 HydrophobicContact CD2-CD2 4.46Å; F871-Y875 AromaticContact CD2-CE2 3.72Å; F871-Y875 HydrophobicContact CD2-CE2 3.72Å; F871-Y875 AromaticContact CE1-CD2 3.58Å; F871-Y875 HydrophobicContact CE1-CD2 3.58Å; F871-Y875 AromaticContact CE1-CE2 3.7Å; F871-Y875 HydrophobicContact CE1-CE2 3.7Å; F871-Y875 HydrophobicContact CE2-CD2 4.35Å; F871-Y875 AromaticContact CE2-CE2 3.6Å; F871-Y875 HydrophobicContact CE2-CE2 3.6Å; F871-Y875 HydrophobicContact CG-CD2 4.17Å; F871-Y875 AromaticContact CG-CE2 3.83Å; F871-Y875 HydrophobicContact CG-CE2 3.83Å; F871-Y875 AromaticContact CZ-CD2 3.91Å; F871-Y875 HydrophobicContact CZ-CD2 3.91Å; F871-Y875 AromaticContact CZ-CE2 3.58Å; F871-Y875 HydrophobicContact CZ-CE2 3.58Å; F871-Y875 WeakPolarHBondContact O-CD2 3.28Å
872	T	94.1	Very high	90.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-44.6	-169.8	-60.4	0	0	0	0	112.5	T381 F864 Y868 S869 R874 Y875 I876 L886	T381-T872 HydrophobicContact CG2-CG2 3.49Å; T381-T872 VanDerWaalsContact CG2-CG2 3.49Å; T381-T872 WeakPolarHBondContact OG1-CB 3.4Å; T381-T872 WeakPolarHBondContact OG1-CG2 3.42Å; T381-T872 PolarHBondContact OG1-OG1 2.85Å; F864-T872 HydrophobicContact CB-CG2 3.65Å; F864-T872 PolarHBondContact O-OG1 2.83Å; Y868-T872 PolarHBondContact O-N 3.13Å; S869-T872 PolarHBondContact O-N 2.9Å; T872-R874 PolarHBondContact O-N 2.98Å; T872-Y875 PolarHBondContact O-N 2.85Å; T872-Y875 VanDerWaalsContact O-N 3.12Å; T872-I876 HydrophobicContact CG2-CB 4.35Å; T872-I876 PolarHBondContact O-N 2.87Å; T872-L886 HydrophobicContact CG2-CD2 4.36Å
873	E	92.6	Very high	90.3	Very high	6 Å²	6	37 Å²	37	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-72.5	-16.4	-171.9	-60.5	174.9	-166.1	0	0	113.4	T381 G382 R436 S869 F871 L878	T381-E873 HydrophobicContact CG2-CG 3.93Å; G382-E873 PolarHBondContact N-OE1 2.75Å; R436-E873 WeakPolarHBondContact CG-OE2 3.32Å; R436-E873 IonicContact CZ-OE1 3.09Å; R436-E873 IonicContact CZ-OE2 2.87Å; R436-E873 IonicContact NE-OE1 3.87Å; R436-E873 IonicContact NE-OE2 3.96Å; R436-E873 PolarHBondContact NE-OE2 2.86Å; R436-E873 IonicContact NH2-OE1 3.95Å; R436-E873 PolarHBondContact NH2-OE1 2.84Å; R436-E873 IonicContact NH2-OE2 3.82Å; R436-E873 PolarHBondContact NH2-OE2 2.86Å; S869-E873 VanDerWaalsContact CB-OE1 3.25Å; S869-E873 WeakPolarHBondContact CB-OE1 3.39Å; S869-E873 VanDerWaalsContact O-CB 3.27Å; S869-E873 WeakPolarHBondContact O-CB 3.41Å; S869-E873 VanDerWaalsContact O-CG 3.27Å; S869-E873 WeakPolarHBondContact O-CG 3.36Å; S869-E873 PolarHBondContact O-N 3.16Å; F871-E873 PolarHBondContact O-N 3.14Å; E873-L878 HydrophobicContact CG-CD1 4.21Å; E873-L878 HydrophobicContact CG-CD2 4.02Å; E873-L878 HydrophobicContact CG-CG 4.01Å
874	R	91.4	Very high	90	Very high	6 Å²	6	41.7 Å²	41.7	2%	0.023	22%	0.222	C	C	.	.	H	α-helix	trans	-72.5	-38.4	171.4	178.9	-162.4	-87.1	-169.9	1.7	112.4	E329 W466 H798 F871 T872	E329-R874 IonicContact OE1-CZ 2.81Å; E329-R874 IonicContact OE1-NH1 2.68Å; E329-R874 PolarHBondContact OE1-NH1 2.68Å; E329-R874 IonicContact OE1-NH2 2.71Å; E329-R874 PolarHBondContact OE1-NH2 2.76Å; W466-R874 HydrophobicContact CB-CG 3.47Å; W466-R874 VanDerWaalsContact CB-CG 3.47Å; W466-R874 HydrophobicContact CD2-CG 3.86Å; W466-R874 HydrophobicContact CE3-CG 4.44Å; W466-R874 HydrophobicContact CG-CG 3.39Å; H798-R874 PolarHBondContact CD2-O 2.87Å; F871-R874 WeakPolarHBondContact O-CB 3.24Å; F871-R874 PolarHBondContact O-N 2.91Å; T872-R874 PolarHBondContact O-N 2.98Å
875	Y	91.8	Very high	89.8	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-101.7	-26.1	-173.4	-56.8	-54.5	0	0	0	113.1	W466 P753 G799 L801 F871 T872	W466-Y875 HydrophobicContact CD2-CD1 4.46Å; W466-Y875 AromaticContact CD2-CE1 3.98Å; W466-Y875 HydrophobicContact CD2-CE1 3.98Å; W466-Y875 AromaticContact CE2-CE1 3.67Å; W466-Y875 HydrophobicContact CE3-CD1 4.14Å; W466-Y875 HydrophobicContact CE3-CE1 4.05Å; W466-Y875 HydrophobicContact CH2-CD1 4.15Å; W466-Y875 AromaticContact CH2-CE1 3.67Å; W466-Y875 HydrophobicContact CH2-CE1 3.67Å; W466-Y875 HydrophobicContact CZ2-CD1 4.43Å; W466-Y875 AromaticContact CZ2-CE1 3.55Å; W466-Y875 HydrophobicContact CZ2-CE1 3.55Å; W466-Y875 AromaticContact CZ3-CD1 3.98Å; W466-Y875 HydrophobicContact CZ3-CD1 3.98Å; W466-Y875 AromaticContact CZ3-CE1 3.91Å; W466-Y875 HydrophobicContact CZ3-CE1 3.91Å; P753-Y875 HydrophobicContact CB-CD1 4.04Å; P753-Y875 HydrophobicContact CB-CE1 3.49Å; P753-Y875 VanDerWaalsContact CB-CE1 3.49Å; P753-Y875 HydrophobicContact CB-CE2 4.14Å; P753-Y875 HydrophobicContact CG-CD1 4.44Å; P753-Y875 HydrophobicContact CG-CD2 4.5Å; P753-Y875 HydrophobicContact CG-CE1 4.27Å; P753-Y875 HydrophobicContact CG-CE2 4.32Å; P753-Y875 PolarHBondContact O-OH 2.89Å; G799-Y875 WeakPolarHBondContact CA-O 3.02Å; G799-Y875 PolarHBondContact N-O 3.36Å; L801-Y875 HydrophobicContact CD1-CD2 4.25Å; L801-Y875 HydrophobicContact CD1-CG 4.26Å; L801-Y875 HydrophobicContact CD2-CG 4.2Å; F871-Y875 AromaticContact CD1-CD2 3.74Å; F871-Y875 HydrophobicContact CD1-CD2 3.74Å; F871-Y875 AromaticContact CD1-CE2 3.83Å; F871-Y875 HydrophobicContact CD1-CE2 3.83Å; F871-Y875 HydrophobicContact CD2-CD2 4.46Å; F871-Y875 AromaticContact CD2-CE2 3.72Å; F871-Y875 HydrophobicContact CD2-CE2 3.72Å; F871-Y875 AromaticContact CE1-CD2 3.58Å; F871-Y875 HydrophobicContact CE1-CD2 3.58Å; F871-Y875 AromaticContact CE1-CE2 3.7Å; F871-Y875 HydrophobicContact CE1-CE2 3.7Å; F871-Y875 HydrophobicContact CE2-CD2 4.35Å; F871-Y875 AromaticContact CE2-CE2 3.6Å; F871-Y875 HydrophobicContact CE2-CE2 3.6Å; F871-Y875 HydrophobicContact CG-CD2 4.17Å; F871-Y875 AromaticContact CG-CE2 3.83Å; F871-Y875 HydrophobicContact CG-CE2 3.83Å; F871-Y875 AromaticContact CZ-CD2 3.91Å; F871-Y875 HydrophobicContact CZ-CD2 3.91Å; F871-Y875 AromaticContact CZ-CE2 3.58Å; F871-Y875 HydrophobicContact CZ-CE2 3.58Å; F871-Y875 WeakPolarHBondContact O-CD2 3.28Å; T872-Y875 PolarHBondContact O-N 2.85Å; T872-Y875 VanDerWaalsContact O-N 3.12Å
876	I	91.8	Very high	89.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	-128.2	85.4	178.5	-52.4	-179.4	0	0	0	107	L801 F864 T872 Y882 A885 L886 A889	L801-I876 HydrophobicContact CD1-CD1 4.07Å; L801-I876 HydrophobicContact CD1-CG1 4.12Å; L801-I876 HydrophobicContact CG-CD1 4.4Å; L801-I876 HydrophobicContact CG-CG1 4.27Å; F864-I876 HydrophobicContact CB-CD1 4.21Å; F864-I876 HydrophobicContact CD2-CD1 4.16Å; F864-I876 HydrophobicContact CG-CD1 4.28Å; T872-I876 HydrophobicContact CG2-CB 4.35Å; T872-I876 PolarHBondContact O-N 2.87Å; I876-Y882 HydrophobicContact CG2-CD2 3.91Å; I876-Y882 HydrophobicContact CG2-CE2 4.27Å; I876-A885 HydrophobicContact CG2-CB 3.76Å; I876-L886 HydrophobicContact CD1-CD2 3.97Å; I876-L886 HydrophobicContact CG2-CD2 4.39Å; I876-L886 HydrophobicContact CG2-CG 4.23Å; I876-A889 HydrophobicContact CD1-CB 4.44Å
877	P	84.5	Confident	89.6	Confident	42 Å²	42	44.3 Å²	44.3	27%	0.273	23%	0.232	S	C	.	.			trans	-59.9	143.3	-174.4	-26.1	35	0	0	0	113	H798 K879 Y882	H798-P877 WeakPolarHBondContact NE2-CD 3.17Å; H798-P877 WeakPolarHBondContact NE2-CG 3.12Å; P877-K879 PolarHBondContact O-N 3.46Å; P877-Y882 WeakPolarHBondContact O-CB 3.47Å; P877-Y882 VanDerWaalsContact O-CD2 3.29Å; P877-Y882 WeakPolarHBondContact O-CD2 3.43Å
878	L	81.8	Confident	89.5	Confident	66 Å²	66	48 Å²	48	35%	0.346	25%	0.249	S	C	.	.	S	Bend	trans	-66.1	11.5	176.5	-60.3	178.9	0	0	0	114.7	T381 E873 Y882	T381-L878 HydrophobicContact CG2-CD2 4.41Å; E873-L878 HydrophobicContact CG-CD1 4.21Å; E873-L878 HydrophobicContact CG-CD2 4.02Å; E873-L878 HydrophobicContact CG-CG 4.01Å; L878-Y882 HydrophobicContact CD2-CD2 4.12Å; L878-Y882 HydrophobicContact CD2-CE1 4.27Å; L878-Y882 HydrophobicContact CD2-CE2 3.56Å
879	K	77.9	Confident	89.5	Confident	137 Å²	137	47.1 Å²	47.1	60%	0.596	25%	0.246	S	C	*	.	S	Bend	trans	-129.1	144.9	-173.8	-72.8	171	173.3	161.1	0	110.5	E437 P877	E437-K879 WeakPolarHBondContact OE1-CE 3.38Å; E437-K879 IonicContact OE1-NZ 2.94Å; E437-K879 PolarHBondContact OE1-NZ 2.85Å; E437-K879 IonicContact OE2-NZ 3.24Å; E437-K879 PolarHBondContact OE2-NZ 3.05Å; P877-K879 PolarHBondContact O-N 3.46Å
880	G	80.6	Confident	89.7	Confident	75 Å²	75	47.7 Å²	47.7	77%	0.773	25%	0.249	S	C	*	.	S	Bend	trans	72	-133.7	-177.2	0	0	0	0	0	111.5	Y882	G880-Y882 PolarHBondContact O-N 3.3Å
881	D	81.4	Confident	89.9	Confident	99 Å²	99	47.7 Å²	47.7	53%	0.529	25%	0.249	S	C	.	.	S	Bend	trans	-73.6	24.9	-172.2	-80	15.1	0	0	0	114.9	L883 R884 A885	D881-L883 VanDerWaalsContact C-N 3.3Å; D881-L883 PolarHBondContact O-N 2.97Å; D881-L883 VanDerWaalsContact O-N 3.13Å; D881-R884 HydrophobicContact CB-CB 4.32Å; D881-R884 WeakPolarHBondContact O-CA 3.38Å; D881-R884 WeakPolarHBondContact O-CB 3.38Å; D881-R884 PolarHBondContact O-N 3.19Å; D881-R884 IonicContact OD2-CZ 3.79Å; D881-R884 VanDerWaalsContact OD2-CZ 3.22Å; D881-R884 IonicContact OD2-NE 2.79Å; D881-R884 PolarHBondContact OD2-NE 3.07Å; D881-R884 IonicContact OD2-NH2 3.81Å; D881-R884 PolarHBondContact OD2-NH2 3.12Å; D881-A885 PolarHBondContact O-N 2.87Å
882	Y	87.6	Confident	90.1	Very high	45 Å²	45	48.1 Å²	48.1	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-41	-51.5	-179.3	172.5	-114.1	0	0	0	114	T381 I876 P877 L878 G880 R884 A885 L886	T381-Y882 HydrophobicContact CG2-CE2 4.3Å; T381-Y882 VanDerWaalsContact CG2-OH 3.23Å; T381-Y882 WeakPolarHBondContact CG2-OH 3.5Å; I876-Y882 HydrophobicContact CG2-CD2 3.91Å; I876-Y882 HydrophobicContact CG2-CE2 4.27Å; P877-Y882 WeakPolarHBondContact O-CB 3.47Å; P877-Y882 VanDerWaalsContact O-CD2 3.29Å; P877-Y882 WeakPolarHBondContact O-CD2 3.43Å; L878-Y882 HydrophobicContact CD2-CD2 4.12Å; L878-Y882 HydrophobicContact CD2-CE1 4.27Å; L878-Y882 HydrophobicContact CD2-CE2 3.56Å; G880-Y882 PolarHBondContact O-N 3.3Å; Y882-R884 PolarHBondContact O-N 2.88Å; Y882-A885 PolarHBondContact O-N 2.99Å; Y882-L886 HydrophobicContact CD1-CD1 4.45Å; Y882-L886 HydrophobicContact CD2-CD1 4.45Å; Y882-L886 HydrophobicContact CE1-CD1 3.79Å; Y882-L886 HydrophobicContact CE2-CD1 3.77Å; Y882-L886 HydrophobicContact CE2-CG 4.07Å; Y882-L886 VanDerWaalsContact CZ-CD1 3.41Å; Y882-L886 PolarHBondContact O-N 3.18Å; Y882-L886 WeakPolarHBondContact OH-CD1 3.43Å
883	L	89.1	Confident	90.2	Very high	132 Å²	132	53.6 Å²	53.6	69%	0.691	28%	0.28	S	S	*	.	H	α-helix	trans	-68	-34.5	-178.5	-63.1	177.5	0	0	0	112.7	D881 Q887	D881-L883 VanDerWaalsContact C-N 3.3Å; D881-L883 PolarHBondContact O-N 2.97Å; D881-L883 VanDerWaalsContact O-N 3.13Å; L883-Q887 WeakPolarHBondContact O-CB 3.46Å; L883-Q887 PolarHBondContact O-N 3.06Å
884	R	91	Very high	90.3	Very high	122 Å²	122	55.2 Å²	55.2	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-70.8	-45.9	177.3	-179.5	175.2	68.6	74.5	1.8	110.4	D881 Y882 L886 Q887 E888	D881-R884 HydrophobicContact CB-CB 4.32Å; D881-R884 WeakPolarHBondContact O-CA 3.38Å; D881-R884 WeakPolarHBondContact O-CB 3.38Å; D881-R884 PolarHBondContact O-N 3.19Å; D881-R884 IonicContact OD2-CZ 3.79Å; D881-R884 VanDerWaalsContact OD2-CZ 3.22Å; D881-R884 IonicContact OD2-NE 2.79Å; D881-R884 PolarHBondContact OD2-NE 3.07Å; D881-R884 IonicContact OD2-NH2 3.81Å; D881-R884 PolarHBondContact OD2-NH2 3.12Å; Y882-R884 PolarHBondContact O-N 2.88Å; R884-L886 PolarHBondContact O-N 2.81Å; R884-Q887 PolarHBondContact O-N 2.88Å; R884-Q887 VanDerWaalsContact O-N 3.14Å; R884-E888 WeakPolarHBondContact CD-OE1 3.45Å; R884-E888 HydrophobicContact CG-CG 4.35Å; R884-E888 WeakPolarHBondContact CG-OE1 3.16Å; R884-E888 IonicContact CZ-OE1 3.02Å; R884-E888 IonicContact NE-OE1 3.68Å; R884-E888 IonicContact NH1-OE1 3.91Å; R884-E888 PolarHBondContact NH1-OE1 3.22Å; R884-E888 IonicContact NH1-OE2 3.1Å; R884-E888 PolarHBondContact NH1-OE2 3.09Å; R884-E888 WeakPolarHBondContact O-CB 3.44Å; R884-E888 WeakPolarHBondContact O-CG 3.46Å; R884-E888 PolarHBondContact O-N 2.81Å
885	A	91.8	Very high	90.6	Very high	13 Å²	13	54.9 Å²	54.9	11%	0.107	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-38.7	176.8	0	0	0	0	0	112.3	I876 D881 Y882 A889	I876-A885 HydrophobicContact CG2-CB 3.76Å; D881-A885 PolarHBondContact O-N 2.87Å; Y882-A885 PolarHBondContact O-N 2.99Å; A885-A889 VanDerWaalsContact O-CB 3.23Å; A885-A889 WeakPolarHBondContact O-CB 3.2Å; A885-A889 PolarHBondContact O-N 3.37Å
886	L	92.3	Very high	90.7	Very high	21 Å²	21	56 Å²	56	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-43.3	170	-82.3	-177.4	0	0	0	112.7	F864 T872 I876 Y882 R884 A889 D890	F864-L886 HydrophobicContact CB-CD2 3.9Å; T872-L886 HydrophobicContact CG2-CD2 4.36Å; I876-L886 HydrophobicContact CD1-CD2 3.97Å; I876-L886 HydrophobicContact CG2-CD2 4.39Å; I876-L886 HydrophobicContact CG2-CG 4.23Å; Y882-L886 HydrophobicContact CD1-CD1 4.45Å; Y882-L886 HydrophobicContact CD2-CD1 4.45Å; Y882-L886 HydrophobicContact CE1-CD1 3.79Å; Y882-L886 HydrophobicContact CE2-CD1 3.77Å; Y882-L886 HydrophobicContact CE2-CG 4.07Å; Y882-L886 VanDerWaalsContact CZ-CD1 3.41Å; Y882-L886 PolarHBondContact O-N 3.18Å; Y882-L886 WeakPolarHBondContact OH-CD1 3.43Å; R884-L886 PolarHBondContact O-N 2.81Å; L886-A889 CarbonylContact O-C 3.34Å; L886-A889 PolarHBondContact O-N 3.07Å; L886-D890 PolarHBondContact O-N 3.32Å
887	Q	92.6	Very high	90.9	Very high	116 Å²	116	60.8 Å²	60.8	54%	0.542	32%	0.324	S	S	.	.	H	α-helix	trans	-71.1	-36.8	-177.9	-174.9	-178.9	-16.3	0	0	112.6	L883 R884 A889 D890 M893	L883-Q887 WeakPolarHBondContact O-CB 3.46Å; L883-Q887 PolarHBondContact O-N 3.06Å; R884-Q887 PolarHBondContact O-N 2.88Å; R884-Q887 VanDerWaalsContact O-N 3.14Å; Q887-A889 PolarHBondContact O-N 3.37Å; Q887-D890 PolarHBondContact O-N 3.02Å; Q887-M893 HydrophobicContact CG-CE 4.3Å; Q887-M893 HydrophobicContact CG-CG 4.35Å
888	E	93.4	Very high	91.4	Very high	82 Å²	82	58.8 Å²	58.8	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-27.5	173.8	-74.4	169.7	-170.4	0	0	111.9	R884 K894	R884-E888 WeakPolarHBondContact CD-OE1 3.45Å; R884-E888 HydrophobicContact CG-CG 4.35Å; R884-E888 WeakPolarHBondContact CG-OE1 3.16Å; R884-E888 IonicContact CZ-OE1 3.02Å; R884-E888 IonicContact NE-OE1 3.68Å; R884-E888 IonicContact NH1-OE1 3.91Å; R884-E888 PolarHBondContact NH1-OE1 3.22Å; R884-E888 IonicContact NH1-OE2 3.1Å; R884-E888 PolarHBondContact NH1-OE2 3.09Å; R884-E888 WeakPolarHBondContact O-CB 3.44Å; R884-E888 WeakPolarHBondContact O-CG 3.46Å; R884-E888 PolarHBondContact O-N 2.81Å; E888-K894 VanDerWaalsContact O-CE 3.26Å; E888-K894 WeakPolarHBondContact O-CE 3.39Å
889	A	95	Very high	92	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.008	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10.8	178.3	0	0	0	0	0	114.7	L801 Y838 F864 I876 A885 L886 Q887	L801-A889 WeakPolarHBondContact O-CB 3.39Å; Y838-A889 VanDerWaalsContact CE2-O 3.31Å; Y838-A889 WeakPolarHBondContact CE2-O 3.38Å; Y838-A889 WeakPolarHBondContact OH-CA 3.49Å; Y838-A889 WeakPolarHBondContact OH-CB 3.47Å; Y838-A889 PolarHBondContact OH-O 2.98Å; F864-A889 HydrophobicContact CD2-CB 3.95Å; F864-A889 HydrophobicContact CE2-CB 3.98Å; I876-A889 HydrophobicContact CD1-CB 4.44Å; A885-A889 VanDerWaalsContact O-CB 3.23Å; A885-A889 WeakPolarHBondContact O-CB 3.2Å; A885-A889 PolarHBondContact O-N 3.37Å; L886-A889 CarbonylContact O-C 3.34Å; L886-A889 PolarHBondContact O-N 3.07Å; Q887-A889 PolarHBondContact O-N 3.37Å
890	D	96.7	Very high	92.7	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.064	33%	0.33	C	S	.	.			trans	-97.6	116.9	-179.1	-170.3	-24.6	0	0	0	111.8	N863 L886 Q887 T892 M893	N863-D890 PolarHBondContact ND2-OD2 3.07Å; L886-D890 PolarHBondContact O-N 3.32Å; Q887-D890 PolarHBondContact O-N 3.02Å; D890-T892 VanDerWaalsContact C-N 3.29Å; D890-T892 PolarHBondContact O-N 2.98Å; D890-T892 WeakPolarHBondContact OD1-CA 3.38Å; D890-T892 VanDerWaalsContact OD1-CB 3.28Å; D890-T892 WeakPolarHBondContact OD1-CB 3.32Å; D890-T892 WeakPolarHBondContact OD1-CG2 3.42Å; D890-T892 PolarHBondContact OD1-N 3.07Å; D890-T892 PolarHBondContact OD1-OG1 3.42Å; D890-T892 PolarHBondContact OD2-OG1 2.92Å; D890-M893 HydrophobicContact CB-CB 4.24Å; D890-M893 HydrophobicContact CB-CG 3.86Å; D890-M893 PolarHBondContact O-N 3.43Å
891	L	97.1	Very high	93.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.7	-28	177.8	-72.1	177.1	0	0	0	113	Y838 M842 I845 V862 M893 K894 A895 L922	Y838-L891 HydrophobicContact CD2-CD1 3.74Å; Y838-L891 HydrophobicContact CD2-CD2 4.43Å; Y838-L891 HydrophobicContact CD2-CG 3.83Å; Y838-L891 HydrophobicContact CE2-CD1 4.37Å; Y838-L891 HydrophobicContact CE2-CD2 4.39Å; Y838-L891 HydrophobicContact CE2-CG 3.95Å; M842-L891 HydrophobicContact CB-CD2 4.31Å; M842-L891 HydrophobicContact CE-CD2 3.58Å; M842-L891 HydrophobicContact CE-CG 4.26Å; M842-L891 HydrophobicContact SD-CD2 3.8Å; I845-L891 HydrophobicContact CD1-CD2 3.55Å; V862-L891 HydrophobicContact CG1-CB 4.3Å; V862-L891 HydrophobicContact CG2-CD1 4.33Å; V862-L891 PolarHBondContact O-N 3.07Å; L891-M893 VanDerWaalsContact C-N 3.33Å; L891-M893 PolarHBondContact O-N 3.08Å; L891-K894 PolarHBondContact O-N 2.89Å; L891-A895 PolarHBondContact O-N 2.81Å; L891-A895 VanDerWaalsContact O-N 3.08Å; L891-L922 HydrophobicContact CB-CD1 4.14Å; L891-L922 HydrophobicContact CD1-CD2 4.39Å
892	T	97.4	Very high	94.1	Very high	31 Å²	31	55.2 Å²	55.2	19%	0.19	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-37.8	177.8	70.1	0	0	0	0	111.5	V862 D890 K894 A895 M921 A925	V862-T892 HydrophobicContact CG1-CG2 3.52Å; D890-T892 VanDerWaalsContact C-N 3.29Å; D890-T892 PolarHBondContact O-N 2.98Å; D890-T892 WeakPolarHBondContact OD1-CA 3.38Å; D890-T892 VanDerWaalsContact OD1-CB 3.28Å; D890-T892 WeakPolarHBondContact OD1-CB 3.32Å; D890-T892 WeakPolarHBondContact OD1-CG2 3.42Å; D890-T892 PolarHBondContact OD1-N 3.07Å; D890-T892 PolarHBondContact OD1-OG1 3.42Å; D890-T892 PolarHBondContact OD2-OG1 2.92Å; T892-K894 VanDerWaalsContact C-N 3.25Å; T892-K894 PolarHBondContact O-N 2.8Å; T892-A895 WeakPolarHBondContact O-CB 3.44Å; T892-A895 PolarHBondContact O-N 2.91Å; T892-M921 HydrophobicContact CG2-CB 4.03Å; T892-M921 HydrophobicContact CG2-CE 4.44Å; T892-A925 HydrophobicContact CG2-CB 4.34Å
893	M	96.4	Very high	94.6	Very high	116 Å²	116	53.1 Å²	53.1	57%	0.571	28%	0.283	S	S	*	.	H	α-helix	trans	-69.5	-24	178.3	-64.3	-61.1	-66.4	0	0	112.6	Q887 D890 L891	Q887-M893 HydrophobicContact CG-CE 4.3Å; Q887-M893 HydrophobicContact CG-CG 4.35Å; D890-M893 HydrophobicContact CB-CB 4.24Å; D890-M893 HydrophobicContact CB-CG 3.86Å; D890-M893 PolarHBondContact O-N 3.43Å; L891-M893 VanDerWaalsContact C-N 3.33Å; L891-M893 PolarHBondContact O-N 3.08Å
894	K	95.6	Very high	95	Very high	39 Å²	39	47.1 Å²	47.1	17%	0.17	25%	0.252	C	S	.	.	H	α-helix	trans	-99.4	-2	178	-64.7	-176.9	-179.9	-170.3	0	114.2	M842 I845 D846 E888 L891 T892 G896 N897	M842-K894 HydrophobicContact CE-CD 4.13Å; M842-K894 HydrophobicContact SD-CD 3.45Å; M842-K894 WeakPolarHBondContact SD-CD 3.32Å; M842-K894 PolarHBondContact SD-NZ 2.8Å; I845-K894 HydrophobicContact CD1-CB 3.88Å; I845-K894 HydrophobicContact CD1-CD 4.47Å; I845-K894 HydrophobicContact CG2-CB 4.12Å; I845-K894 HydrophobicContact CG2-CD 4.04Å; D846-K894 IonicContact OD2-NZ 2.69Å; D846-K894 PolarHBondContact OD2-NZ 2.87Å; E888-K894 VanDerWaalsContact O-CE 3.26Å; E888-K894 WeakPolarHBondContact O-CE 3.39Å; L891-K894 PolarHBondContact O-N 2.89Å; T892-K894 VanDerWaalsContact C-N 3.25Å; T892-K894 PolarHBondContact O-N 2.8Å; K894-G896 PolarHBondContact O-N 3.19Å; K894-N897 WeakPolarHBondContact O-CB 3.33Å; K894-N897 PolarHBondContact O-N 2.92Å
895	A	96.1	Very high	95.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-54.2	-31	-169.6	0	0	0	0	0	115	L891 T892 N897 I898 L922 A925 L926	L891-A895 PolarHBondContact O-N 2.81Å; L891-A895 VanDerWaalsContact O-N 3.08Å; T892-A895 WeakPolarHBondContact O-CB 3.44Å; T892-A895 PolarHBondContact O-N 2.91Å; A895-N897 PolarHBondContact O-N 3.3Å; A895-I898 PolarHBondContact O-N 2.88Å; A895-L922 HydrophobicContact CB-CD1 4.33Å; A895-A925 HydrophobicContact CB-CB 3.81Å; A895-L926 HydrophobicContact CB-CD2 4.06Å; A895-L926 HydrophobicContact CB-CG 4.37Å
896	G	94.8	Very high	95.7	Very high	26 Å²	26	40.7 Å²	40.7	27%	0.268	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-62.1	-25.5	177.2	0	0	0	0	0	114.6	K894 I898 K899	K894-G896 PolarHBondContact O-N 3.19Å; G896-I898 PolarHBondContact O-N 2.96Å; G896-K899 VanDerWaalsContact O-CB 3.26Å; G896-K899 WeakPolarHBondContact O-CB 3.37Å; G896-K899 PolarHBondContact O-N 2.9Å
897	N	95.2	Very high	95.9	Very high	101 Å²	101	39.7 Å²	39.7	54%	0.54	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-72.8	-17	-179.9	-66.2	3.8	0	0	0	112.9	I845 K894 A895 K899	I845-N897 HydrophobicContact CG2-CB 3.81Å; K894-N897 WeakPolarHBondContact O-CB 3.33Å; K894-N897 PolarHBondContact O-N 2.92Å; A895-N897 PolarHBondContact O-N 3.3Å; N897-K899 PolarHBondContact O-N 2.93Å
898	I	95.8	Very high	96.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-78	-2.1	177.6	-50.1	-168.7	0	0	0	111.3	L844 I845 A895 G896 G900 R901 L903 L926 V931	L844-I898 HydrophobicContact CD2-CG2 4.07Å; I845-I898 HydrophobicContact CD1-CD1 3.97Å; I845-I898 HydrophobicContact CD1-CG1 4.2Å; I845-I898 HydrophobicContact CG1-CD1 3.77Å; I845-I898 HydrophobicContact CG1-CG1 3.53Å; A895-I898 PolarHBondContact O-N 2.88Å; G896-I898 PolarHBondContact O-N 2.96Å; I898-G900 PolarHBondContact O-N 3.44Å; I898-R901 HydrophobicContact CG2-CB 4.19Å; I898-R901 WeakPolarHBondContact O-CB 3.39Å; I898-R901 PolarHBondContact O-N 3.39Å; I898-L903 HydrophobicContact CD1-CD2 3.89Å; I898-L903 HydrophobicContact CG2-CB 3.99Å; I898-L903 HydrophobicContact CG2-CD2 4.18Å; I898-L926 HydrophobicContact CB-CD2 4.18Å; I898-L926 HydrophobicContact CD1-CD2 4.24Å; I898-L926 HydrophobicContact CG2-CD2 4.49Å; I898-V931 HydrophobicContact CB-CG1 4.12Å; I898-V931 HydrophobicContact CG2-CG1 4.06Å
899	K	94.4	Very high	96.3	Very high	123 Å²	123	31.2 Å²	31.2	54%	0.535	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	105.8	-176.2	-165.3	164.1	-164.9	147.8	0	112.6	G896 N897 Q929 V931	G896-K899 VanDerWaalsContact O-CB 3.26Å; G896-K899 WeakPolarHBondContact O-CB 3.37Å; G896-K899 PolarHBondContact O-N 2.9Å; N897-K899 PolarHBondContact O-N 2.93Å; K899-Q929 PolarHBondContact NZ-O 2.87Å; K899-V931 HydrophobicContact CB-CG2 4.09Å
900	G	91.9	Very high	96.3	Very high	78 Å²	78	31.5 Å²	31.5	80%	0.804	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.3	6	-176.9	0	0	0	0	0	114.4	I898	I898-G900 PolarHBondContact O-N 3.44Å
901	R	94.9	Very high	96.2	Very high	27 Å²	27	31 Å²	31	10%	0.102	18%	0.181	C	C	.	.	S	Bend	trans	-103.5	148.7	175.9	-51.5	-74.8	-84.5	148.6	-0.8	109.4	L844 D847 L852 I898 L903	L844-R901 HydrophobicContact CD1-CB 4.17Å; L844-R901 HydrophobicContact CD2-CB 3.92Å; L844-R901 HydrophobicContact CG-CB 3.94Å; L844-R901 PolarHBondContact O-NE 3.13Å; L844-R901 PolarHBondContact O-NH2 2.9Å; D847-R901 IonicContact OD2-CZ 3.38Å; D847-R901 IonicContact OD2-NH1 3.78Å; D847-R901 IonicContact OD2-NH2 3.34Å; D847-R901 PolarHBondContact OD2-NH2 3.39Å; L852-R901 PolarHBondContact O-NH1 3.45Å; L852-R901 PolarHBondContact O-NH2 2.95Å; I898-R901 HydrophobicContact CG2-CB 4.19Å; I898-R901 WeakPolarHBondContact O-CB 3.39Å; I898-R901 PolarHBondContact O-N 3.39Å; R901-L903 PolarHBondContact O-N 3.47Å
902	N	96.3	Very high	95.9	Very high	75 Å²	75	32.6 Å²	32.6	40%	0.401	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.5	-179.7	-56.9	-57.8	0	0	0	110.5	L844 Q853 C854 A855 Y959	L844-N902 WeakPolarHBondContact CD2-O 2.99Å; Q853-N902 WeakPolarHBondContact O-CB 3.23Å; Q853-N902 PolarHBondContact O-ND2 3.1Å; C854-N902 CarbonylContact C-O 3.6Å; C854-N902 VanDerWaalsContact CA-O 3.27Å; C854-N902 WeakPolarHBondContact CA-O 3.43Å; C854-N902 HydrophobicContact CB-CB 3.77Å; A855-N902 PolarHBondContact N-O 3.4Å; N902-Y959 WeakPolarHBondContact CB-OH 3.28Å; N902-Y959 PolarHBondContact O-OH 3.12Å
903	L	98	Very high	95.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134	174.1	-178.8	67.9	0	0	0	111	L844 A855 I898 R901 L905 L926 F933 R934 Y959	L844-L903 HydrophobicContact CD2-CB 3.93Å; L844-L903 HydrophobicContact CD2-CD1 4.16Å; A855-L903 HydrophobicContact CB-CD1 4.37Å; I898-L903 HydrophobicContact CD1-CD2 3.89Å; I898-L903 HydrophobicContact CG2-CB 3.99Å; I898-L903 HydrophobicContact CG2-CD2 4.18Å; R901-L903 PolarHBondContact O-N 3.47Å; L903-L905 HydrophobicContact CD1-CD2 4.29Å; L903-L905 HydrophobicContact CD2-CD2 3.93Å; L903-L905 HydrophobicContact CD2-CG 4.16Å; L903-L905 HydrophobicContact CG-CD2 4.11Å; L903-L905 HydrophobicContact CG-CG 4.31Å; L903-L926 HydrophobicContact CD2-CD1 4.03Å; L903-F933 HydrophobicContact CB-CB 4.41Å; L903-F933 WeakPolarHBondContact O-CA 3.45Å; L903-R934 PolarHBondContact O-N 2.92Å; L903-Y959 PolarHBondContact N-OH 2.61Å; L903-Y959 PolarHBondContact O-OH 3.12Å
904	M	98.2	Very high	95.7	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.6	164.3	-177	155.6	-159.8	0	0	111.9	A855 V856 A857 M906 R934 Q936 T955 Y959	A855-M904 PolarHBondContact O-N 2.71Å; V856-M904 WeakPolarHBondContact CA-O 3.42Å; V856-M904 HydrophobicContact CG2-CB 4.35Å; A857-M904 PolarHBondContact N-O 3.33Å; M904-M906 HydrophobicContact CE-CE 3.88Å; M904-M906 HydrophobicContact CE-CG 4.49Å; M904-M906 HydrophobicContact CG-CE 4.19Å; M904-M906 HydrophobicContact CG-CG 4.37Å; M904-M906 HydrophobicContact SD-CE 3.74Å; M904-R934 WeakPolarHBondContact CA-O 3.45Å; M904-R934 HydrophobicContact CB-CB 3.9Å; M904-R934 HydrophobicContact CE-CB 4.07Å; M904-R934 HydrophobicContact CG-CB 3.71Å; M904-R934 HydrophobicContact SD-CB 3.89Å; M904-R934 HydrophobicContact SD-CG 4.43Å; M904-Q936 HydrophobicContact CE-CB 3.78Å; M904-T955 HydrophobicContact CE-CG2 3.44Å; M904-T955 VanDerWaalsContact CE-CG2 3.44Å; M904-T955 HydrophobicContact SD-CG2 4.05Å; M904-Y959 HydrophobicContact CB-CD1 3.82Å; M904-Y959 HydrophobicContact CB-CD2 4.42Å; M904-Y959 HydrophobicContact CB-CE1 3.49Å; M904-Y959 VanDerWaalsContact CB-CE1 3.49Å; M904-Y959 HydrophobicContact CB-CE2 4.17Å; M904-Y959 HydrophobicContact CB-CG 4.24Å; M904-Y959 PolarHBondContact N-OH 3.32Å; M904-Y959 HydrophobicContact SD-CD1 4.28Å; M904-Y959 HydrophobicContact SD-CD2 4.11Å; M904-Y959 HydrophobicContact SD-CG 3.88Å
905	L	98.5	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.1	173.9	-59.7	177.5	0	0	0	109.8	A857 P860 L903 T919 L922 V923 L926 F933 R934 H935 Q936	A857-L905 HydrophobicContact CB-CD2 4.05Å; P860-L905 HydrophobicContact CG-CD2 4.43Å; L903-L905 HydrophobicContact CD1-CD2 4.29Å; L903-L905 HydrophobicContact CD2-CD2 3.93Å; L903-L905 HydrophobicContact CD2-CG 4.16Å; L903-L905 HydrophobicContact CG-CD2 4.11Å; L903-L905 HydrophobicContact CG-CG 4.31Å; L905-T919 HydrophobicContact CB-CG2 4.19Å; L905-T919 HydrophobicContact CD1-CG2 4.22Å; L905-L922 HydrophobicContact CD1-CD2 4.19Å; L905-L922 HydrophobicContact CD1-CG 4.36Å; L905-L922 HydrophobicContact CD2-CD2 3.98Å; L905-V923 HydrophobicContact CD1-CG2 3.79Å; L905-L926 HydrophobicContact CD1-CD1 4.02Å; L905-F933 HydrophobicContact CD1-CD2 4.3Å; L905-R934 PolarHBondContact N-O 2.99Å; L905-H935 CarbonylContact O-C 3.58Å; L905-H935 WeakPolarHBondContact O-CA 3.39Å; L905-Q936 PolarHBondContact O-N 3.24Å
906	M	98.4	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.1	170.9	-58.6	-160.9	-165.5	0	0	110.4	V856 A857 I858 N859 M904 Q936 Y938 V952 T955 M956	V856-M906 HydrophobicContact CG1-CE 4.14Å; A857-M906 PolarHBondContact O-N 2.78Å; I858-M906 WeakPolarHBondContact CA-O 3.35Å; I858-M906 HydrophobicContact CB-CB 4.5Å; I858-M906 HydrophobicContact CG1-CB 4.34Å; I858-M906 HydrophobicContact CG2-CB 4.16Å; N859-M906 PolarHBondContact N-O 2.76Å; M904-M906 HydrophobicContact CE-CE 3.88Å; M904-M906 HydrophobicContact CE-CG 4.49Å; M904-M906 HydrophobicContact CG-CE 4.19Å; M904-M906 HydrophobicContact CG-CG 4.37Å; M904-M906 HydrophobicContact SD-CE 3.74Å; M906-Q936 VanDerWaalsContact CA-O 3.3Å; M906-Q936 WeakPolarHBondContact CA-O 3.35Å; M906-Q936 HydrophobicContact CG-CB 4.39Å; M906-Y938 HydrophobicContact CB-CE2 4.43Å; M906-Y938 HydrophobicContact SD-CE2 4.13Å; M906-V952 HydrophobicContact SD-CG1 4.02Å; M906-T955 HydrophobicContact CE-CG2 3.56Å; M906-M956 HydrophobicContact CE-CB 4.48Å; M906-M956 HydrophobicContact CE-CG 3.51Å; M906-M956 HydrophobicContact SD-CG 4.35Å
907	H	98.4	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	137.7	-179.7	-149.1	103.9	0	0	0	114.9	N859 D911 V914 Q916 T919 Q936 V937 Y938	N859-H907 VanDerWaalsContact OD1-CA 3.25Å; N859-H907 WeakPolarHBondContact OD1-CA 3.39Å; H907-D911 IonicContact NE2-OD2 2.67Å; H907-V914 PolarHBondContact CE1-O 2.72Å; H907-V914 PolarHBondContact NE2-O 2.76Å; H907-Q916 WeakPolarHBondContact NE2-CA 3.28Å; H907-Q916 PolarHBondContact NE2-N 3.02Å; H907-T919 HydrophobicContact CB-CG2 4.19Å; H907-T919 WeakPolarHBondContact ND1-CB 3.37Å; H907-T919 PolarHBondContact ND1-OG1 2.93Å; H907-Q936 PolarHBondContact N-O 2.96Å; H907-V937 WeakPolarHBondContact O-CA 3.37Å; H907-Y938 PolarHBondContact O-N 2.67Å
908	G	97.4	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.5	173.7	0	0	0	0	0	113.9	N859 A910 D911 Y938 E941	N859-G908 PolarHBondContact OD1-N 3.39Å; G908-A910 PolarHBondContact O-N 3.29Å; G908-A910 VanDerWaalsContact O-N 3.15Å; G908-D911 WeakPolarHBondContact O-CB 3.27Å; G908-D911 PolarHBondContact O-N 2.84Å; G908-Y938 CarbonylContact C-O 3.59Å; G908-Y938 WeakPolarHBondContact CA-O 3.3Å; G908-E941 CarbonylContact C-O 3.5Å; G908-E941 VanDerWaalsContact C-O 3.28Å; G908-E941 WeakPolarHBondContact CA-O 3.43Å
909	T	95.8	Very high	96	Very high	20 Å²	20	23.2 Å²	23.2	12%	0.123	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.6	-171.4	69.2	0	0	0	0	115	V937 Y938 P939 D940	T909-V937 HydrophobicContact CG2-CG1 3.3Å; T909-Y938 PolarHBondContact N-O 2.97Å; T909-P939 WeakPolarHBondContact OG1-CA 3.29Å; T909-D940 PolarHBondContact OG1-N 2.75Å
910	A	94.3	Very high	96.1	Very high	8 Å²	8	21.4 Å²	21.4	7%	0.066	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	21.6	177.5	0	0	0	0	0	112.1	Y361 W363 G908 T912 E941	Y361-A910 HydrophobicContact CD2-CB 4.07Å; Y361-A910 HydrophobicContact CE2-CB 3.72Å; W363-A910 HydrophobicContact CE3-CB 4.01Å; W363-A910 HydrophobicContact CZ3-CB 3.86Å; G908-A910 PolarHBondContact O-N 3.29Å; G908-A910 VanDerWaalsContact O-N 3.15Å; A910-T912 PolarHBondContact O-N 3.05Å; A910-E941 CarbonylContact C-O 3.46Å; A910-E941 VanDerWaalsContact C-O 3.31Å; A910-E941 WeakPolarHBondContact CA-O 3.38Å; A910-E941 WeakPolarHBondContact CB-O 3.47Å; A910-E941 PolarHBondContact N-O 2.95Å
911	D	95.5	Very high	96.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.105	C	C	.	.			trans	-61.8	115.4	171.8	-168	-26.9	0	0	0	110.7	N859 H907 G908 L913 V914 E941 H943	N859-D911 VanDerWaalsContact CB-OD2 3.29Å; N859-D911 WeakPolarHBondContact CB-OD2 3.19Å; N859-D911 PolarHBondContact ND2-OD2 3.2Å; H907-D911 IonicContact NE2-OD2 2.67Å; G908-D911 WeakPolarHBondContact O-CB 3.27Å; G908-D911 PolarHBondContact O-N 2.84Å; D911-L913 PolarHBondContact OD1-N 2.91Å; D911-V914 VanDerWaalsContact CG-O 3.28Å; D911-V914 PolarHBondContact OD1-N 3.25Å; D911-E941 PolarHBondContact N-O 2.8Å; D911-H943 WeakPolarHBondContact OD1-CB 3.44Å; D911-H943 IonicContact OD1-CG 3.26Å; D911-H943 IonicContact OD1-ND1 3.19Å; D911-H943 PolarHBondContact OD1-ND1 3.11Å; D911-H943 IonicContact OD2-CE1 2.95Å; D911-H943 IonicContact OD2-CG 2.75Å; D911-H943 IonicContact OD2-ND1 3.68Å; D911-H943 PolarHBondContact OD2-ND1 2.74Å
912	T	91.7	Very high	96.6	Very high	34 Å²	34	18.9 Å²	18.9	21%	0.209	10%	0.1	C	C	.	.	S	Bend	trans	-98.2	-4	178.6	56.1	0	0	0	0	113.6	W322 Y361 Y378 A910	W322-T912 WeakPolarHBondContact CZ2-O 3.43Å; Y361-T912 HydrophobicContact CE1-CG2 4.15Å; Y378-T912 WeakPolarHBondContact CE2-O 3.21Å; A910-T912 PolarHBondContact O-N 3.05Å
913	L	93	Very high	96.7	Very high	39 Å²	39	16.5 Å²	16.5	20%	0.204	9%	0.088	C	C	.	.	S	Bend	trans	-100.3	-48.7	179.5	-176.5	66.4	0	0	0	111.6	W322 N326 Y378 H867 Y868 D911 H943	W322-L913 HydrophobicContact CH2-CD1 3.85Å; W322-L913 HydrophobicContact CZ2-CB 4.36Å; W322-L913 HydrophobicContact CZ2-CD1 3.81Å; N326-L913 HydrophobicContact CB-CD1 4.3Å; Y378-L913 PolarHBondContact OH-O 3.31Å; H867-L913 PolarHBondContact CE1-O 2.96Å; H867-L913 PolarHBondContact ND1-O 3.1Å; Y868-L913 HydrophobicContact CD1-CD1 4.45Å; Y868-L913 HydrophobicContact CE1-CD1 3.91Å; D911-L913 PolarHBondContact OD1-N 2.91Å; L913-H943 HydrophobicContact CB-CB 4.06Å
914	V	96	Very high	96.7	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	12%	0.118	C	C	.	.	S	Bend	trans	-125.5	77.4	178	-172.4	0	0	0	0	107.8	N859 I861 H907 D911 H918	N859-V914 VanDerWaalsContact O-CG1 3.3Å; N859-V914 WeakPolarHBondContact O-CG1 3.36Å; I861-V914 HydrophobicContact CB-CG1 4.32Å; I861-V914 HydrophobicContact CD1-CG2 4.39Å; I861-V914 HydrophobicContact CG1-CB 4.43Å; I861-V914 HydrophobicContact CG1-CG1 3.67Å; I861-V914 HydrophobicContact CG1-CG2 3.78Å; H907-V914 PolarHBondContact CE1-O 2.72Å; H907-V914 PolarHBondContact NE2-O 2.76Å; D911-V914 VanDerWaalsContact CG-O 3.28Å; D911-V914 PolarHBondContact OD1-N 3.25Å; V914-H918 HydrophobicContact CG1-CB 4.44Å; V914-H918 VanDerWaalsContact CG1-CD2 3.41Å; V914-H918 WeakPolarHBondContact CG1-CD2 3.22Å
915	H	96	Very high	96.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.			trans	-45.6	146.6	-174.4	-55.3	147.5	0	0	0	114.9	Y359 Y378 E917 H918	Y359-H915 AromaticContact CD1-CD2 3.3Å; Y359-H915 WeakPolarHBondContact CD1-CD2 3.42Å; Y359-H915 AromaticContact CD1-CE1 3.73Å; Y359-H915 AromaticContact CD1-CG 3.77Å; Y359-H915 AromaticContact CD1-NE2 3.27Å; Y359-H915 VanDerWaalsContact CD1-NE2 3.27Å; Y359-H915 WeakPolarHBondContact CD1-NE2 3.45Å; Y359-H915 AromaticContact CD2-CE1 3.83Å; Y359-H915 AromaticContact CD2-CG 3.95Å; Y359-H915 AromaticContact CD2-ND1 3.65Å; Y359-H915 HydrophobicContact CE1-CB 4Å; Y359-H915 AromaticContact CE1-CD2 3.32Å; Y359-H915 WeakPolarHBondContact CE1-CD2 3.44Å; Y359-H915 AromaticContact CE1-CG 3.61Å; Y359-H915 AromaticContact CE1-NE2 3.84Å; Y359-H915 HydrophobicContact CE2-CB 3.91Å; Y359-H915 AromaticContact CE2-CG 3.82Å; Y359-H915 AromaticContact CE2-ND1 3.91Å; Y359-H915 AromaticContact CG-CD2 3.81Å; Y359-H915 AromaticContact CG-CE1 3.43Å; Y359-H915 VanDerWaalsContact CG-CE1 3.43Å; Y359-H915 AromaticContact CG-CG 3.94Å; Y359-H915 AromaticContact CG-ND1 3.71Å; Y359-H915 AromaticContact CG-NE2 3.48Å; Y359-H915 AromaticContact CZ-CD2 3.88Å; Y359-H915 AromaticContact CZ-CG 3.65Å; Y378-H915 AromaticContact CD1-CE1 3.53Å; Y378-H915 AromaticContact CD2-CE1 3.49Å; Y378-H915 VanDerWaalsContact CD2-CE1 3.49Å; Y378-H915 WeakPolarHBondContact CD2-CE1 3.41Å; Y378-H915 AromaticContact CD2-NE2 3.26Å; Y378-H915 VanDerWaalsContact CD2-NE2 3.26Å; Y378-H915 WeakPolarHBondContact CD2-NE2 3.48Å; Y378-H915 AromaticContact CE1-CE1 3.61Å; Y378-H915 AromaticContact CE2-CE1 3.57Å; Y378-H915 AromaticContact CE2-NE2 3.39Å; Y378-H915 WeakPolarHBondContact CE2-NE2 3.23Å; Y378-H915 AromaticContact CG-CE1 3.44Å; Y378-H915 VanDerWaalsContact CG-CE1 3.44Å; Y378-H915 AromaticContact CG-NE2 3.67Å; Y378-H915 AromaticContact CZ-CE1 3.62Å; Y378-H915 AromaticContact CZ-NE2 3.89Å; H915-E917 HydrophobicContact CB-CG 3.93Å; H915-E917 WeakPolarHBondContact CB-OE1 3.23Å; H915-E917 IonicContact CE1-OE1 3.34Å; H915-E917 IonicContact CG-OE1 2.78Å; H915-E917 IonicContact ND1-OE1 3.19Å; H915-E917 PolarHBondContact ND1-OE1 3.38Å; H915-E917 PolarHBondContact O-N 3.36Å; H915-H918 WeakPolarHBondContact O-CB 3.37Å; H915-H918 PolarHBondContact O-CD2 2.8Å; H915-H918 PolarHBondContact O-N 2.82Å
916	Q	95.7	Very high	96.7	Very high	32 Å²	32	24.8 Å²	24.8	15%	0.15	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.3	178.7	-161.4	-177.5	20.6	0	0	114.5	H907 H918 T919 L920	H907-Q916 WeakPolarHBondContact NE2-CA 3.28Å; H907-Q916 PolarHBondContact NE2-N 3.02Å; Q916-H918 PolarHBondContact O-N 2.94Å; Q916-T919 PolarHBondContact O-N 3.32Å; Q916-L920 HydrophobicContact CG-CD1 4.04Å; Q916-L920 HydrophobicContact CG-CG 4.15Å; Q916-L920 WeakPolarHBondContact O-CG 3.23Å; Q916-L920 PolarHBondContact O-N 2.81Å
917	E	95.5	Very high	96.7	Very high	41 Å²	41	29.1 Å²	29.1	19%	0.192	15%	0.148	C	C	.	.	H	α-helix	trans	-54.1	-36	172.2	76.9	-165.6	132.2	0	0	112.6	K380 F866 H915 L920 M921	K380-E917 WeakPolarHBondContact CE-OE1 3.4Å; K380-E917 IonicContact NZ-OE1 3.75Å; K380-E917 PolarHBondContact NZ-OE1 2.85Å; K380-E917 IonicContact NZ-OE2 3.66Å; K380-E917 PolarHBondContact NZ-OE2 3.39Å; F866-E917 HydrophobicContact CD1-CG 4.46Å; F866-E917 WeakPolarHBondContact CD1-OE2 3.4Å; H915-E917 HydrophobicContact CB-CG 3.93Å; H915-E917 WeakPolarHBondContact CB-OE1 3.23Å; H915-E917 IonicContact CE1-OE1 3.34Å; H915-E917 IonicContact CG-OE1 2.78Å; H915-E917 IonicContact ND1-OE1 3.19Å; H915-E917 PolarHBondContact ND1-OE1 3.38Å; H915-E917 PolarHBondContact O-N 3.36Å; E917-L920 PolarHBondContact O-N 3.37Å; E917-M921 WeakPolarHBondContact O-CB 3.38Å; E917-M921 VanDerWaalsContact O-CG 3.22Å; E917-M921 WeakPolarHBondContact O-CG 3.27Å; E917-M921 PolarHBondContact O-N 3.18Å
918	H	98	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.7	-57.3	177.1	-73	-65.2	0	0	0	111.5	P860 V862 N863 V914 H915 Q916 L920 M921 L922	P860-H918 WeakPolarHBondContact O-CB 3.4Å; V862-H918 HydrophobicContact CB-CB 3.92Å; V862-H918 WeakPolarHBondContact CB-O 3.16Å; V862-H918 WeakPolarHBondContact CG1-O 3.14Å; V862-H918 HydrophobicContact CG2-CB 4.11Å; V862-H918 VanDerWaalsContact CG2-O 3.28Å; V862-H918 WeakPolarHBondContact CG2-O 3.45Å; N863-H918 PolarHBondContact O-CE1 2.95Å; N863-H918 VanDerWaalsContact O-CE1 3.22Å; V914-H918 HydrophobicContact CG1-CB 4.44Å; V914-H918 VanDerWaalsContact CG1-CD2 3.41Å; V914-H918 WeakPolarHBondContact CG1-CD2 3.22Å; H915-H918 WeakPolarHBondContact O-CB 3.37Å; H915-H918 PolarHBondContact O-CD2 2.8Å; H915-H918 PolarHBondContact O-N 2.82Å; Q916-H918 PolarHBondContact O-N 2.94Å; H918-L920 VanDerWaalsContact C-N 3.33Å; H918-L920 PolarHBondContact O-N 2.89Å; H918-M921 WeakPolarHBondContact O-CB 3.39Å; H918-M921 PolarHBondContact O-N 2.88Å; H918-L922 PolarHBondContact O-N 2.91Å
919	T	98	Very high	96.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-35.5	-180	-66.4	0	0	0	0	112	P860 L905 H907 Q916 M921 L922 V923	P860-T919 WeakPolarHBondContact CD-OG1 3.44Å; P860-T919 WeakPolarHBondContact CG-OG1 3.48Å; L905-T919 HydrophobicContact CB-CG2 4.19Å; L905-T919 HydrophobicContact CD1-CG2 4.22Å; H907-T919 HydrophobicContact CB-CG2 4.19Å; H907-T919 WeakPolarHBondContact ND1-CB 3.37Å; H907-T919 PolarHBondContact ND1-OG1 2.93Å; Q916-T919 PolarHBondContact O-N 3.32Å; T919-M921 VanDerWaalsContact C-N 3.35Å; T919-M921 PolarHBondContact O-N 2.67Å; T919-L922 PolarHBondContact O-N 3.29Å; T919-V923 HydrophobicContact CG2-CG2 4.13Å; T919-V923 WeakPolarHBondContact O-CB 3.34Å; T919-V923 VanDerWaalsContact O-CG2 3.24Å; T919-V923 WeakPolarHBondContact O-CG2 3.44Å; T919-V923 PolarHBondContact O-N 3.09Å
920	L	97.7	Very high	96.8	Very high	85 Å²	85	45.9 Å²	45.9	45%	0.445	23%	0.225	S	C	.	.	H	α-helix	trans	-66.9	-33.5	176.2	-67.3	172.9	0	0	0	112.9	Q916 E917 H918 R924	Q916-L920 HydrophobicContact CG-CD1 4.04Å; Q916-L920 HydrophobicContact CG-CG 4.15Å; Q916-L920 WeakPolarHBondContact O-CG 3.23Å; Q916-L920 PolarHBondContact O-N 2.81Å; E917-L920 PolarHBondContact O-N 3.37Å; H918-L920 VanDerWaalsContact C-N 3.33Å; H918-L920 PolarHBondContact O-N 2.89Å; L920-R924 WeakPolarHBondContact O-CB 3.26Å; L920-R924 PolarHBondContact O-N 2.89Å
921	M	97.9	Very high	96.9	Very high	52 Å²	52	46 Å²	46	26%	0.256	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-44.8	170.3	-75	169.6	59.5	0	0	112	V862 N863 F866 T892 E917 H918 T919 R924 A925	V862-M921 HydrophobicContact CG1-CB 4.42Å; N863-M921 HydrophobicContact CB-CE 4.07Å; F866-M921 HydrophobicContact CD1-SD 4.21Å; F866-M921 HydrophobicContact CD2-CE 3.88Å; F866-M921 HydrophobicContact CD2-SD 4.02Å; F866-M921 HydrophobicContact CE1-SD 4.17Å; F866-M921 HydrophobicContact CE2-CE 3.62Å; F866-M921 HydrophobicContact CE2-SD 3.99Å; F866-M921 HydrophobicContact CG-SD 4.15Å; F866-M921 HydrophobicContact CZ-CE 4.12Å; F866-M921 HydrophobicContact CZ-SD 4.07Å; T892-M921 HydrophobicContact CG2-CB 4.03Å; T892-M921 HydrophobicContact CG2-CE 4.44Å; E917-M921 WeakPolarHBondContact O-CB 3.38Å; E917-M921 VanDerWaalsContact O-CG 3.22Å; E917-M921 WeakPolarHBondContact O-CG 3.27Å; E917-M921 PolarHBondContact O-N 3.18Å; H918-M921 WeakPolarHBondContact O-CB 3.39Å; H918-M921 PolarHBondContact O-N 2.88Å; T919-M921 VanDerWaalsContact C-N 3.35Å; T919-M921 PolarHBondContact O-N 2.67Å; M921-R924 PolarHBondContact O-N 2.93Å; M921-A925 PolarHBondContact O-N 3.46Å
922	L	98.3	Very high	97	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-44.7	177.2	-178.2	57.9	0	0	0	112.1	V862 L891 A895 L905 H918 T919 R924 A925 L926	V862-L922 HydrophobicContact CB-CB 4.49Å; V862-L922 HydrophobicContact CG1-CB 3.85Å; V862-L922 HydrophobicContact CG2-CB 3.8Å; V862-L922 HydrophobicContact CG2-CD2 4.03Å; L891-L922 HydrophobicContact CB-CD1 4.14Å; L891-L922 HydrophobicContact CD1-CD2 4.39Å; A895-L922 HydrophobicContact CB-CD1 4.33Å; L905-L922 HydrophobicContact CD1-CD2 4.19Å; L905-L922 HydrophobicContact CD1-CG 4.36Å; L905-L922 HydrophobicContact CD2-CD2 3.98Å; H918-L922 PolarHBondContact O-N 2.91Å; T919-L922 PolarHBondContact O-N 3.29Å; L922-R924 VanDerWaalsContact C-N 3.26Å; L922-R924 PolarHBondContact O-N 3.42Å; L922-A925 PolarHBondContact O-N 3.04Å; L922-A925 VanDerWaalsContact O-N 3.14Å; L922-L926 HydrophobicContact CD1-CD1 4.17Å; L922-L926 HydrophobicContact CD1-CG 4.09Å; L922-L926 HydrophobicContact CG-CD1 3.85Å; L922-L926 HydrophobicContact CG-CG 4.28Å; L922-L926 WeakPolarHBondContact O-CB 3.26Å; L922-L926 VanDerWaalsContact O-CG 3.29Å; L922-L926 WeakPolarHBondContact O-CG 3.45Å; L922-L926 PolarHBondContact O-N 2.86Å
923	V	98.4	Very high	97.2	Very high	25 Å²	25	55.8 Å²	55.8	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-54.5	-43.7	174.2	164.2	0	0	0	0	110.8	L905 T919 V927 F933	L905-V923 HydrophobicContact CD1-CG2 3.79Å; T919-V923 HydrophobicContact CG2-CG2 4.13Å; T919-V923 WeakPolarHBondContact O-CB 3.34Å; T919-V923 VanDerWaalsContact O-CG2 3.24Å; T919-V923 WeakPolarHBondContact O-CG2 3.44Å; T919-V923 PolarHBondContact O-N 3.09Å; V923-V927 VanDerWaalsContact O-CG2 3.31Å; V923-V927 WeakPolarHBondContact O-CG2 3.41Å; V923-V927 PolarHBondContact O-N 3.42Å; V923-V927 VanDerWaalsContact O-N 3.08Å; V923-F933 HydrophobicContact CB-CE2 4.48Å; V923-F933 HydrophobicContact CB-CZ 4.46Å; V923-F933 HydrophobicContact CG1-CE2 4.26Å; V923-F933 HydrophobicContact CG1-CZ 4.06Å; V923-F933 HydrophobicContact CG2-CE2 3.97Å; V923-F933 HydrophobicContact CG2-CZ 4.43Å
924	R	98.4	Very high	97.4	Very high	167 Å²	167	58.7 Å²	58.7	63%	0.63	27%	0.273	S	S	*	.	H	α-helix	trans	-61.2	-50.6	174.9	178.9	179.9	170.5	-171.7	-9.1	111.9	L920 M921 L922 L926 V927 E928	L920-R924 WeakPolarHBondContact O-CB 3.26Å; L920-R924 PolarHBondContact O-N 2.89Å; M921-R924 PolarHBondContact O-N 2.93Å; L922-R924 VanDerWaalsContact C-N 3.26Å; L922-R924 PolarHBondContact O-N 3.42Å; R924-L926 VanDerWaalsContact C-N 3.34Å; R924-L926 PolarHBondContact O-N 3.33Å; R924-V927 PolarHBondContact O-N 3.08Å; R924-E928 IonicContact CZ-OE1 3.29Å; R924-E928 VanDerWaalsContact CZ-OE1 3.25Å; R924-E928 IonicContact NE-OE1 2.72Å; R924-E928 PolarHBondContact NE-OE1 3.17Å; R924-E928 IonicContact NH2-OE1 2.67Å; R924-E928 PolarHBondContact NH2-OE1 2.85Å; R924-E928 WeakPolarHBondContact O-CG 3.41Å; R924-E928 PolarHBondContact O-N 3.41Å
925	A	98.3	Very high	97.5	Very high	12 Å²	12	61.8 Å²	61.8	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-40.7	-179.5	0	0	0	0	0	112.4	T892 A895 M921 L922 V927 E928 Q929	T892-A925 HydrophobicContact CG2-CB 4.34Å; A895-A925 HydrophobicContact CB-CB 3.81Å; M921-A925 PolarHBondContact O-N 3.46Å; L922-A925 PolarHBondContact O-N 3.04Å; L922-A925 VanDerWaalsContact O-N 3.14Å; A925-V927 PolarHBondContact O-N 3.3Å; A925-E928 PolarHBondContact O-N 2.72Å; A925-Q929 WeakPolarHBondContact O-CG 3.46Å; A925-Q929 PolarHBondContact O-N 2.67Å
926	L	98.4	Very high	97.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-41	175.7	-70	167.8	0	0	0	112.2	A895 I898 L903 L905 L922 R924 Q929 Q930 V931 F933	A895-L926 HydrophobicContact CB-CD2 4.06Å; A895-L926 HydrophobicContact CB-CG 4.37Å; I898-L926 HydrophobicContact CB-CD2 4.18Å; I898-L926 HydrophobicContact CD1-CD2 4.24Å; I898-L926 HydrophobicContact CG2-CD2 4.49Å; L903-L926 HydrophobicContact CD2-CD1 4.03Å; L905-L926 HydrophobicContact CD1-CD1 4.02Å; L922-L926 HydrophobicContact CD1-CD1 4.17Å; L922-L926 HydrophobicContact CD1-CG 4.09Å; L922-L926 HydrophobicContact CG-CD1 3.85Å; L922-L926 HydrophobicContact CG-CG 4.28Å; L922-L926 WeakPolarHBondContact O-CB 3.26Å; L922-L926 VanDerWaalsContact O-CG 3.29Å; L922-L926 WeakPolarHBondContact O-CG 3.45Å; L922-L926 PolarHBondContact O-N 2.86Å; R924-L926 VanDerWaalsContact C-N 3.34Å; R924-L926 PolarHBondContact O-N 3.33Å; L926-Q929 PolarHBondContact O-N 3.46Å; L926-Q930 PolarHBondContact O-N 3.15Å; L926-Q930 VanDerWaalsContact O-N 3.14Å; L926-V931 HydrophobicContact CB-CB 4.26Å; L926-V931 HydrophobicContact CD2-CB 3.8Å; L926-V931 HydrophobicContact CD2-CG1 3.78Å; L926-V931 HydrophobicContact CD2-CG2 4.1Å; L926-V931 PolarHBondContact O-N 3.38Å; L926-F933 HydrophobicContact CB-CD1 3.72Å; L926-F933 HydrophobicContact CB-CE1 3.48Å; L926-F933 VanDerWaalsContact CB-CE1 3.48Å; L926-F933 HydrophobicContact CB-CZ 4.23Å; L926-F933 HydrophobicContact CD1-CB 4.49Å; L926-F933 HydrophobicContact CD1-CD1 3.84Å; L926-F933 HydrophobicContact CD1-CD2 4.36Å; L926-F933 HydrophobicContact CD1-CE1 4.15Å; L926-F933 HydrophobicContact CD1-CG 3.97Å; L926-F933 HydrophobicContact CG-CD1 4.32Å; L926-F933 HydrophobicContact CG-CE1 4.44Å
927	V	98.2	Very high	97.6	Very high	92 Å²	92	65.7 Å²	65.7	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-66.1	-44.3	175.1	169.3	0	0	0	0	111.4	V923 R924 A925 Q929 Q930 F933	V923-V927 VanDerWaalsContact O-CG2 3.31Å; V923-V927 WeakPolarHBondContact O-CG2 3.41Å; V923-V927 PolarHBondContact O-N 3.42Å; V923-V927 VanDerWaalsContact O-N 3.08Å; R924-V927 PolarHBondContact O-N 3.08Å; A925-V927 PolarHBondContact O-N 3.3Å; V927-Q929 PolarHBondContact O-N 3.43Å; V927-Q930 PolarHBondContact O-N 3.33Å; V927-F933 HydrophobicContact CG2-CE1 4.12Å; V927-F933 HydrophobicContact CG2-CZ 4.04Å
928	E	98.1	Very high	97.7	Very high	116 Å²	116	64.2 Å²	64.2	54%	0.542	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-32.2	176.2	-72.3	177.4	179.5	0	0	112.1	R924 A925	R924-E928 IonicContact CZ-OE1 3.29Å; R924-E928 VanDerWaalsContact CZ-OE1 3.25Å; R924-E928 IonicContact NE-OE1 2.72Å; R924-E928 PolarHBondContact NE-OE1 3.17Å; R924-E928 IonicContact NH2-OE1 2.67Å; R924-E928 PolarHBondContact NH2-OE1 2.85Å; R924-E928 WeakPolarHBondContact O-CG 3.41Å; R924-E928 PolarHBondContact O-N 3.41Å; A925-E928 PolarHBondContact O-N 2.72Å
929	Q	97.9	Very high	97.6	Very high	100 Å²	100	68 Å²	68	47%	0.467	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.9	175.3	-63.5	-59.4	-33.6	0	0	114.9	K899 A925 L926 V927 V931	K899-Q929 PolarHBondContact NZ-O 2.87Å; A925-Q929 WeakPolarHBondContact O-CG 3.46Å; A925-Q929 PolarHBondContact O-N 2.67Å; L926-Q929 PolarHBondContact O-N 3.46Å; V927-Q929 PolarHBondContact O-N 3.43Å; Q929-V931 VanDerWaalsContact C-N 3.31Å; Q929-V931 HydrophobicContact CB-CG2 4.03Å; Q929-V931 PolarHBondContact O-N 3.03Å
930	Q	97.3	Very high	97.4	Very high	155 Å²	155	68.8 Å²	68.8	72%	0.724	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	37.8	-175.9	-52.3	178.7	-29.3	0	0	113.8	L926 V927	L926-Q930 PolarHBondContact O-N 3.15Å; L926-Q930 VanDerWaalsContact O-N 3.14Å; V927-Q930 PolarHBondContact O-N 3.33Å
931	V	97.6	Very high	97.3	Very high	10 Å²	10	65 Å²	65	6%	0.061	31%	0.31	C	S	.	.			trans	-83.8	142	174.3	-178.3	0	0	0	0	109.8	I898 K899 L926 Q929 F933	I898-V931 HydrophobicContact CB-CG1 4.12Å; I898-V931 HydrophobicContact CG2-CG1 4.06Å; K899-V931 HydrophobicContact CB-CG2 4.09Å; L926-V931 HydrophobicContact CB-CB 4.26Å; L926-V931 HydrophobicContact CD2-CB 3.8Å; L926-V931 HydrophobicContact CD2-CG1 3.78Å; L926-V931 HydrophobicContact CD2-CG2 4.1Å; L926-V931 PolarHBondContact O-N 3.38Å; Q929-V931 VanDerWaalsContact C-N 3.31Å; Q929-V931 HydrophobicContact CB-CG2 4.03Å; Q929-V931 PolarHBondContact O-N 3.03Å; V931-F933 WeakPolarHBondContact O-CD1 3.23Å
932	K	96.3	Very high	97	Very high	189 Å²	189	66 Å²	66	82%	0.822	32%	0.317	S	S	*	.			trans	-93.4	134.1	171.5	-63.7	-179.8	-178.7	178	0	109.2
933	F	97.2	Very high	96.9	Very high	52 Å²	52	67.8 Å²	67.8	23%	0.228	33%	0.325	C	S	.	.			trans	-151.4	160.9	179.7	55.7	-83.1	0	0	0	109.7	L903 L905 V923 L926 V927 V931 H935	L903-F933 HydrophobicContact CB-CB 4.41Å; L903-F933 WeakPolarHBondContact O-CA 3.45Å; L905-F933 HydrophobicContact CD1-CD2 4.3Å; V923-F933 HydrophobicContact CB-CE2 4.48Å; V923-F933 HydrophobicContact CB-CZ 4.46Å; V923-F933 HydrophobicContact CG1-CE2 4.26Å; V923-F933 HydrophobicContact CG1-CZ 4.06Å; V923-F933 HydrophobicContact CG2-CE2 3.97Å; V923-F933 HydrophobicContact CG2-CZ 4.43Å; L926-F933 HydrophobicContact CB-CD1 3.72Å; L926-F933 HydrophobicContact CB-CE1 3.48Å; L926-F933 VanDerWaalsContact CB-CE1 3.48Å; L926-F933 HydrophobicContact CB-CZ 4.23Å; L926-F933 HydrophobicContact CD1-CB 4.49Å; L926-F933 HydrophobicContact CD1-CD1 3.84Å; L926-F933 HydrophobicContact CD1-CD2 4.36Å; L926-F933 HydrophobicContact CD1-CE1 4.15Å; L926-F933 HydrophobicContact CD1-CG 3.97Å; L926-F933 HydrophobicContact CG-CD1 4.32Å; L926-F933 HydrophobicContact CG-CE1 4.44Å; V927-F933 HydrophobicContact CG2-CE1 4.12Å; V927-F933 HydrophobicContact CG2-CZ 4.04Å; V931-F933 WeakPolarHBondContact O-CD1 3.23Å; F933-H935 HydrophobicContact CD2-CB 4.01Å; F933-H935 HydrophobicContact CE2-CB 3.87Å
934	R	97.3	Very high	96.6	Very high	101 Å²	101	69 Å²	69	38%	0.381	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.7	164.9	-60.3	-65.9	-163	-178.7	3.6	108.4	L903 M904 L905 Y959 E962	L903-R934 PolarHBondContact O-N 2.92Å; M904-R934 WeakPolarHBondContact CA-O 3.45Å; M904-R934 HydrophobicContact CB-CB 3.9Å; M904-R934 HydrophobicContact CE-CB 4.07Å; M904-R934 HydrophobicContact CG-CB 3.71Å; M904-R934 HydrophobicContact SD-CB 3.89Å; M904-R934 HydrophobicContact SD-CG 4.43Å; L905-R934 PolarHBondContact N-O 2.99Å; R934-Y959 HydrophobicContact CB-CE2 4.49Å; R934-Y959 HydrophobicContact CG-CD2 4.07Å; R934-Y959 HydrophobicContact CG-CE2 3.65Å; R934-E962 IonicContact CZ-OE1 3.61Å; R934-E962 IonicContact CZ-OE2 3.31Å; R934-E962 IonicContact NE-OE2 3.42Å; R934-E962 PolarHBondContact NE-OE2 3.21Å; R934-E962 IonicContact NH2-OE1 2.71Å; R934-E962 PolarHBondContact NH2-OE1 2.88Å; R934-E962 IonicContact NH2-OE2 3.68Å; R934-E962 PolarHBondContact NH2-OE2 3.19Å
935	H	97.3	Very high	96.5	Very high	67 Å²	67	61 Å²	61	31%	0.31	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	125.6	173.1	177.4	-139.9	0	0	0	109.6	L905 F933 V937	L905-H935 CarbonylContact O-C 3.58Å; L905-H935 WeakPolarHBondContact O-CA 3.39Å; F933-H935 HydrophobicContact CD2-CB 4.01Å; F933-H935 HydrophobicContact CE2-CB 3.87Å; H935-V937 VanDerWaalsContact CE1-CG2 3.43Å; H935-V937 WeakPolarHBondContact CE1-CG2 3.3Å; H935-V937 WeakPolarHBondContact NE2-CG2 3.48Å
936	Q	97.4	Very high	96.1	Very high	57 Å²	57	63.8 Å²	63.8	27%	0.266	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.7	178.1	-178.9	126.9	15.7	0	0	109.5	M904 L905 M906 H907 Y938 H951	M904-Q936 HydrophobicContact CE-CB 3.78Å; L905-Q936 PolarHBondContact O-N 3.24Å; M906-Q936 VanDerWaalsContact CA-O 3.3Å; M906-Q936 WeakPolarHBondContact CA-O 3.35Å; M906-Q936 HydrophobicContact CG-CB 4.39Å; H907-Q936 PolarHBondContact N-O 2.96Å; Q936-Y938 HydrophobicContact CG-CD2 4.43Å; Q936-Y938 HydrophobicContact CG-CE2 3.79Å; Q936-H951 PolarHBondContact NE2-CE1 2.79Å; Q936-H951 VanDerWaalsContact NE2-CE1 3.33Å
937	V	96.8	Very high	95.8	Very high	57 Å²	57	71.3 Å²	71.3	35%	0.345	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.3	177.9	176.8	0	0	0	0	108.8	H907 T909 H935	H907-V937 WeakPolarHBondContact O-CA 3.37Å; T909-V937 HydrophobicContact CG2-CG1 3.3Å; H935-V937 VanDerWaalsContact CE1-CG2 3.43Å; H935-V937 WeakPolarHBondContact CE1-CG2 3.3Å; H935-V937 WeakPolarHBondContact NE2-CG2 3.48Å
938	Y	97.4	Very high	95.7	Very high	11 Å²	11	68.7 Å²	68.7	4%	0.043	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107	174.8	-68.1	-82	0	0	0	109.6	M906 H907 G908 T909 Q936 I945 H951 V952	M906-Y938 HydrophobicContact CB-CE2 4.43Å; M906-Y938 HydrophobicContact SD-CE2 4.13Å; H907-Y938 PolarHBondContact O-N 2.67Å; G908-Y938 CarbonylContact C-O 3.59Å; G908-Y938 WeakPolarHBondContact CA-O 3.3Å; T909-Y938 PolarHBondContact N-O 2.97Å; Q936-Y938 HydrophobicContact CG-CD2 4.43Å; Q936-Y938 HydrophobicContact CG-CE2 3.79Å; Y938-I945 HydrophobicContact CD1-CG2 4.35Å; Y938-I945 HydrophobicContact CD2-CD1 4.22Å; Y938-I945 HydrophobicContact CD2-CG2 4.12Å; Y938-I945 HydrophobicContact CG-CG2 3.93Å; Y938-H951 HydrophobicContact CE1-CB 4.23Å; Y938-H951 AromaticContact CE1-ND1 3.7Å; Y938-H951 AromaticContact CZ-ND1 3.81Å; Y938-H951 PolarHBondContact OH-ND1 2.93Å; Y938-V952 HydrophobicContact CD2-CG2 4.34Å; Y938-V952 HydrophobicContact CE1-CG2 4.19Å; Y938-V952 HydrophobicContact CE2-CG2 3.69Å; Y938-V952 WeakPolarHBondContact OH-CA 3.49Å
939	P	95.1	Very high	95.5	Very high	80 Å²	80	65 Å²	65	52%	0.519	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	141	179.2	-23	34.6	0	0	0	112.8	M364 T909 E941	M364-P939 HydrophobicContact CG-CB 4.35Å; T909-P939 WeakPolarHBondContact OG1-CA 3.29Å; P939-E941 PolarHBondContact O-N 3.27Å; P939-E941 VanDerWaalsContact O-N 3.11Å
940	D	93.8	Very high	95.3	Very high	15 Å²	15	62.6 Å²	62.6	8%	0.08	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	24.2	173.7	-59.7	-7.9	0	0	0	115	W363 M364 G365 T909	W363-D940 WeakPolarHBondContact CA-OD1 3.11Å; W363-D940 HydrophobicContact CD2-CB 4.24Å; W363-D940 HydrophobicContact CE3-CB 3.87Å; W363-D940 HydrophobicContact CH2-CB 3.82Å; W363-D940 HydrophobicContact CZ2-CB 4.17Å; W363-D940 HydrophobicContact CZ3-CB 3.65Å; M364-D940 WeakPolarHBondContact CB-OD2 3.36Å; M364-D940 PolarHBondContact N-OD1 2.87Å; M364-D940 PolarHBondContact N-OD2 2.87Å; M364-D940 VanDerWaalsContact N-OD2 3.14Å; G365-D940 PolarHBondContact N-OD2 2.8Å; T909-D940 PolarHBondContact OG1-N 2.75Å
941	E	95.3	Very high	95.3	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.023	31%	0.309	C	S	.	.			trans	-103.2	145.2	175.1	-71.1	-81	-160.8	0	0	111.2	G908 A910 D911 P939 I945 A946 R947 S948	G908-E941 CarbonylContact C-O 3.5Å; G908-E941 VanDerWaalsContact C-O 3.28Å; G908-E941 WeakPolarHBondContact CA-O 3.43Å; A910-E941 CarbonylContact C-O 3.46Å; A910-E941 VanDerWaalsContact C-O 3.31Å; A910-E941 WeakPolarHBondContact CA-O 3.38Å; A910-E941 WeakPolarHBondContact CB-O 3.47Å; A910-E941 PolarHBondContact N-O 2.95Å; D911-E941 PolarHBondContact N-O 2.8Å; P939-E941 PolarHBondContact O-N 3.27Å; P939-E941 VanDerWaalsContact O-N 3.11Å; E941-I945 HydrophobicContact CB-CB 4.38Å; E941-I945 HydrophobicContact CB-CG1 4.41Å; E941-I945 HydrophobicContact CB-CG2 4Å; E941-I945 HydrophobicContact CG-CG2 3.95Å; E941-I945 WeakPolarHBondContact OE2-CA 3.07Å; E941-A946 PolarHBondContact OE2-N 3.36Å; E941-A946 VanDerWaalsContact OE2-N 3.12Å; E941-R947 WeakPolarHBondContact OE1-CA 3.48Å; E941-R947 WeakPolarHBondContact OE1-CB 3.31Å; E941-R947 PolarHBondContact OE1-N 3.36Å; E941-R947 PolarHBondContact OE2-N 3.46Å; E941-S948 WeakPolarHBondContact OE1-CA 3.12Å; E941-S948 WeakPolarHBondContact OE1-CB 3.28Å; E941-S948 PolarHBondContact OE1-N 3.32Å; E941-S948 PolarHBondContact OE1-OG 2.85Å
942	D	93.2	Very high	95.2	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	31%	0.306	S	S	.	.			trans	-88.6	-165.5	-176.8	73	-13.4	0	0	0	112.8	N859 A944 I945	N859-D942 PolarHBondContact ND2-O 2.98Å; D942-A944 PolarHBondContact O-N 3.23Å; D942-A944 WeakPolarHBondContact OD1-CA 3.44Å; D942-A944 PolarHBondContact OD1-N 3.07Å; D942-I945 WeakPolarHBondContact O-CG1 3.12Å; D942-I945 PolarHBondContact O-N 2.92Å; D942-I945 PolarHBondContact OD1-N 3.24Å
943	H	94.8	Very high	95.2	Very high	39 Å²	39	52.4 Å²	52.4	18%	0.181	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	176	-164.3	70	0	0	0	113.7	W833 N859 D911 L913	W833-H943 AromaticContact CD1-CE1 3.89Å; W833-H943 AromaticContact CD1-NE2 3.38Å; W833-H943 VanDerWaalsContact CE2-O 3.26Å; W833-H943 VanDerWaalsContact CZ2-O 3.26Å; W833-H943 WeakPolarHBondContact CZ2-O 3.1Å; W833-H943 AromaticContact NE1-CD2 3.77Å; W833-H943 AromaticContact NE1-CE1 3.91Å; W833-H943 AromaticContact NE1-NE2 3.5Å; W833-H943 PolarHBondContact NE1-O 3.46Å; N859-H943 WeakPolarHBondContact ND2-CA 3.15Å; N859-H943 PolarHBondContact ND2-O 2.94Å; D911-H943 WeakPolarHBondContact OD1-CB 3.44Å; D911-H943 IonicContact OD1-CG 3.26Å; D911-H943 IonicContact OD1-ND1 3.19Å; D911-H943 PolarHBondContact OD1-ND1 3.11Å; D911-H943 IonicContact OD2-CE1 2.95Å; D911-H943 IonicContact OD2-CG 2.75Å; D911-H943 IonicContact OD2-ND1 3.68Å; D911-H943 PolarHBondContact OD2-ND1 2.74Å; L913-H943 HydrophobicContact CB-CB 4.06Å
944	A	93.3	Very high	95.1	Very high	50 Å²	50	55.7 Å²	55.7	41%	0.413	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-15.7	-179.5	0	0	0	0	0	113.5	W833 D942 A946	W833-A944 WeakPolarHBondContact CH2-O 3.26Å; D942-A944 PolarHBondContact O-N 3.23Å; D942-A944 WeakPolarHBondContact OD1-CA 3.44Å; D942-A944 PolarHBondContact OD1-N 3.07Å; A944-A946 HydrophobicContact CB-CB 4.47Å; A944-A946 PolarHBondContact O-N 3.01Å
945	I	95.1	Very high	95.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.274	C	S	.	.			trans	52.8	43.3	-178.1	-47.3	175.8	0	0	0	110.6	W833 I858 Y938 E941 D942 R947 S948 L949 V952	W833-I945 HydrophobicContact CH2-CB 4.21Å; W833-I945 HydrophobicContact CH2-CD1 4.13Å; W833-I945 HydrophobicContact CH2-CG1 4.24Å; W833-I945 HydrophobicContact CZ2-CB 4.28Å; W833-I945 HydrophobicContact CZ2-CD1 3.94Å; W833-I945 HydrophobicContact CZ2-CG1 3.91Å; I858-I945 HydrophobicContact CG2-CD1 3.87Å; Y938-I945 HydrophobicContact CD1-CG2 4.35Å; Y938-I945 HydrophobicContact CD2-CD1 4.22Å; Y938-I945 HydrophobicContact CD2-CG2 4.12Å; Y938-I945 HydrophobicContact CG-CG2 3.93Å; E941-I945 HydrophobicContact CB-CB 4.38Å; E941-I945 HydrophobicContact CB-CG1 4.41Å; E941-I945 HydrophobicContact CB-CG2 4Å; E941-I945 HydrophobicContact CG-CG2 3.95Å; E941-I945 WeakPolarHBondContact OE2-CA 3.07Å; D942-I945 WeakPolarHBondContact O-CG1 3.12Å; D942-I945 PolarHBondContact O-N 2.92Å; D942-I945 PolarHBondContact OD1-N 3.24Å; I945-R947 PolarHBondContact O-N 3.45Å; I945-S948 PolarHBondContact O-N 2.87Å; I945-L949 WeakPolarHBondContact O-CB 3.3Å; I945-L949 PolarHBondContact O-N 2.77Å; I945-V952 HydrophobicContact CB-CG2 4.37Å; I945-V952 HydrophobicContact CG2-CG2 3.72Å
946	A	91.4	Very high	95	Very high	70 Å²	70	48.2 Å²	48.2	58%	0.579	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.3	-161.4	0	0	0	0	0	114.7	E941 A944	E941-A946 PolarHBondContact OE2-N 3.36Å; E941-A946 VanDerWaalsContact OE2-N 3.12Å; A944-A946 HydrophobicContact CB-CB 4.47Å; A944-A946 PolarHBondContact O-N 3.01Å
947	R	91.6	Very high	94.9	Very high	159 Å²	159	46.8 Å²	46.8	60%	0.6	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-36.9	178.8	-40.9	156.3	68	176.6	0.7	110.2	D366 E941 I945	D366-R947 IonicContact OD1-NH2 2.98Å; D366-R947 IonicContact OD2-NH2 2.9Å; E941-R947 WeakPolarHBondContact OE1-CA 3.48Å; E941-R947 WeakPolarHBondContact OE1-CB 3.31Å; E941-R947 PolarHBondContact OE1-N 3.36Å; E941-R947 PolarHBondContact OE2-N 3.46Å; I945-R947 PolarHBondContact O-N 3.45Å
948	S	95.5	Very high	94.8	Very high	37 Å²	37	50.1 Å²	50.1	26%	0.259	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	3.1	-172.4	-55.2	0	0	0	0	114.5	E941 I945 S950 H951 V952	E941-S948 WeakPolarHBondContact OE1-CA 3.12Å; E941-S948 WeakPolarHBondContact OE1-CB 3.28Å; E941-S948 PolarHBondContact OE1-N 3.32Å; E941-S948 PolarHBondContact OE1-OG 2.85Å; I945-S948 PolarHBondContact O-N 2.87Å; S948-S950 PolarHBondContact O-N 2.78Å; S948-H951 WeakPolarHBondContact O-CA 3.38Å; S948-H951 VanDerWaalsContact O-CB 3.26Å; S948-H951 WeakPolarHBondContact O-CB 3.35Å; S948-H951 PolarHBondContact O-N 3.2Å; S948-V952 PolarHBondContact O-N 2.92Å
949	L	93.9	Very high	94.8	Very high	38 Å²	38	49.9 Å²	49.9	20%	0.199	26%	0.259	C	S	.	.	H	α-helix	trans	-51.5	-34.3	-179.3	-168.6	64.9	0	0	0	113.8	L93 W833 I945 H951 V952 Y953	L93-L949 HydrophobicContact CD2-CB 4.37Å; L93-L949 HydrophobicContact CD2-CD2 3.98Å; L93-L949 HydrophobicContact CD2-CG 4.11Å; W833-L949 HydrophobicContact CH2-CD1 4Å; W833-L949 HydrophobicContact CZ3-CD1 4.13Å; I945-L949 WeakPolarHBondContact O-CB 3.3Å; I945-L949 PolarHBondContact O-N 2.77Å; L949-H951 VanDerWaalsContact C-N 3.28Å; L949-H951 PolarHBondContact O-N 2.81Å; L949-V952 HydrophobicContact CD1-CB 4.49Å; L949-V952 WeakPolarHBondContact O-CB 3.35Å; L949-V952 PolarHBondContact O-N 2.92Å; L949-Y953 HydrophobicContact CD1-CE1 3.9Å; L949-Y953 HydrophobicContact CD1-CE2 4.24Å; L949-Y953 HydrophobicContact CD2-CE2 4.03Å; L949-Y953 HydrophobicContact CG-CD2 4.3Å; L949-Y953 HydrophobicContact CG-CE1 4.33Å; L949-Y953 HydrophobicContact CG-CE2 3.75Å; L949-Y953 PolarHBondContact O-N 2.79Å
950	S	94.3	Very high	94.8	Very high	50 Å²	50	46.1 Å²	46.1	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-29.1	174.2	-171	0	0	0	0	113.6	S948 K954	S948-S950 PolarHBondContact O-N 2.78Å; S950-K954 WeakPolarHBondContact O-CD 3.3Å; S950-K954 WeakPolarHBondContact O-CG 3.1Å
951	H	96.6	Very high	94.8	Very high	93 Å²	93	47.7 Å²	47.7	43%	0.431	24%	0.243	S	C	.	.	H	α-helix	trans	-79.4	-46.3	170.8	-169.7	-71.2	0	0	0	110.6	Q936 Y938 S948 L949 Y953 K954 T955	Q936-H951 PolarHBondContact NE2-CE1 2.79Å; Q936-H951 VanDerWaalsContact NE2-CE1 3.33Å; Y938-H951 HydrophobicContact CE1-CB 4.23Å; Y938-H951 AromaticContact CE1-ND1 3.7Å; Y938-H951 AromaticContact CZ-ND1 3.81Å; Y938-H951 PolarHBondContact OH-ND1 2.93Å; S948-H951 WeakPolarHBondContact O-CA 3.38Å; S948-H951 VanDerWaalsContact O-CB 3.26Å; S948-H951 WeakPolarHBondContact O-CB 3.35Å; S948-H951 PolarHBondContact O-N 3.2Å; L949-H951 VanDerWaalsContact C-N 3.28Å; L949-H951 PolarHBondContact O-N 2.81Å; H951-Y953 PolarHBondContact O-N 3.36Å; H951-K954 PolarHBondContact O-N 3.31Å; H951-K954 VanDerWaalsContact O-N 3.09Å; H951-T955 PolarHBondContact CE1-OG1 3.16Å; H951-T955 PolarHBondContact ND1-OG1 2.87Å; H951-T955 PolarHBondContact O-N 3.01Å; H951-T955 PolarHBondContact O-OG1 3.22Å; H951-T955 VanDerWaalsContact O-OG1 3.11Å
952	V	96.4	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-47.7	-56.3	177.1	175.5	0	0	0	0	111	W833 I858 M906 Y938 I945 S948 L949 K954 T955 M956	W833-V952 HydrophobicContact CZ3-CG1 4.45Å; I858-V952 HydrophobicContact CD1-CG1 4.19Å; M906-V952 HydrophobicContact SD-CG1 4.02Å; Y938-V952 HydrophobicContact CD2-CG2 4.34Å; Y938-V952 HydrophobicContact CE1-CG2 4.19Å; Y938-V952 HydrophobicContact CE2-CG2 3.69Å; Y938-V952 WeakPolarHBondContact OH-CA 3.49Å; I945-V952 HydrophobicContact CB-CG2 4.37Å; I945-V952 HydrophobicContact CG2-CG2 3.72Å; S948-V952 PolarHBondContact O-N 2.92Å; L949-V952 HydrophobicContact CD1-CB 4.49Å; L949-V952 WeakPolarHBondContact O-CB 3.35Å; L949-V952 PolarHBondContact O-N 2.92Å; V952-K954 VanDerWaalsContact C-N 3.35Å; V952-K954 PolarHBondContact O-N 2.57Å; V952-T955 WeakPolarHBondContact O-CB 3.34Å; V952-T955 PolarHBondContact O-N 2.96Å; V952-T955 VanDerWaalsContact O-N 3.13Å; V952-M956 HydrophobicContact CG1-CG 4.44Å; V952-M956 HydrophobicContact CG1-SD 3.88Å; V952-M956 VanDerWaalsContact O-CG 3.3Å; V952-M956 WeakPolarHBondContact O-CG 3.33Å; V952-M956 PolarHBondContact O-N 2.65Å
953	Y	95.8	Very high	94.7	Very high	47 Å²	47	49.5 Å²	49.5	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-41.1	-179.5	-68.6	-25.2	0	0	0	113.4	L93 W766 L949 H951 M956 E957	L93-Y953 HydrophobicContact CD2-CD2 4.03Å; L93-Y953 HydrophobicContact CD2-CE2 3.8Å; W766-Y953 HydrophobicContact CB-CD1 4.19Å; W766-Y953 HydrophobicContact CB-CD2 4.42Å; W766-Y953 HydrophobicContact CB-CE1 3.81Å; W766-Y953 HydrophobicContact CB-CE2 4.04Å; W766-Y953 HydrophobicContact CB-CG 4.49Å; W766-Y953 AromaticContact CD1-CD1 3.91Å; W766-Y953 AromaticContact CD1-CD2 3.79Å; W766-Y953 AromaticContact CD1-CG 3.6Å; W766-Y953 AromaticContact CD2-CD1 3.66Å; W766-Y953 HydrophobicContact CD2-CD1 3.66Å; W766-Y953 HydrophobicContact CD2-CE1 4.04Å; W766-Y953 HydrophobicContact CD2-CG 4.12Å; W766-Y953 AromaticContact CE2-CD1 3.9Å; W766-Y953 HydrophobicContact CE3-CD1 4.16Å; W766-Y953 HydrophobicContact CE3-CE1 4.35Å; W766-Y953 AromaticContact CG-CD1 3.68Å; W766-Y953 HydrophobicContact CG-CD1 3.68Å; W766-Y953 HydrophobicContact CG-CD2 4.12Å; W766-Y953 AromaticContact CG-CE1 3.82Å; W766-Y953 HydrophobicContact CG-CE1 3.82Å; W766-Y953 HydrophobicContact CG-CE2 4.23Å; W766-Y953 AromaticContact CG-CG 3.85Å; W766-Y953 HydrophobicContact CG-CG 3.85Å; W766-Y953 WeakPolarHBondContact CZ2-O 3.46Å; W766-Y953 AromaticContact NE1-CG 3.73Å; L949-Y953 HydrophobicContact CD1-CE1 3.9Å; L949-Y953 HydrophobicContact CD1-CE2 4.24Å; L949-Y953 HydrophobicContact CD2-CE2 4.03Å; L949-Y953 HydrophobicContact CG-CD2 4.3Å; L949-Y953 HydrophobicContact CG-CE1 4.33Å; L949-Y953 HydrophobicContact CG-CE2 3.75Å; L949-Y953 PolarHBondContact O-N 2.79Å; H951-Y953 PolarHBondContact O-N 3.36Å; Y953-M956 HydrophobicContact CD1-SD 4.32Å; Y953-M956 PolarHBondContact O-N 3.17Å; Y953-E957 VanDerWaalsContact O-CB 3.22Å; Y953-E957 WeakPolarHBondContact O-CB 3.42Å; Y953-E957 PolarHBondContact O-N 2.9Å
954	K	95	Very high	94.6	Very high	120 Å²	120	49 Å²	49	52%	0.522	25%	0.248	S	C	.	.	H	α-helix	trans	-67.7	-35.9	176.8	-70.1	174.2	-175.9	177.3	0	112.6	S950 H951 V952 W958	S950-K954 WeakPolarHBondContact O-CD 3.3Å; S950-K954 WeakPolarHBondContact O-CG 3.1Å; H951-K954 PolarHBondContact O-N 3.31Å; H951-K954 VanDerWaalsContact O-N 3.09Å; V952-K954 VanDerWaalsContact C-N 3.35Å; V952-K954 PolarHBondContact O-N 2.57Å; K954-W958 VanDerWaalsContact O-CB 3.3Å; K954-W958 WeakPolarHBondContact O-CB 3.17Å; K954-W958 PolarHBondContact O-N 3Å
955	T	96.9	Very high	94.1	Very high	11 Å²	11	48 Å²	48	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-42.1	175.3	-57.7	0	0	0	0	111.2	M904 M906 H951 V952 Y959	M904-T955 HydrophobicContact CE-CG2 3.44Å; M904-T955 VanDerWaalsContact CE-CG2 3.44Å; M904-T955 HydrophobicContact SD-CG2 4.05Å; M906-T955 HydrophobicContact CE-CG2 3.56Å; H951-T955 PolarHBondContact CE1-OG1 3.16Å; H951-T955 PolarHBondContact ND1-OG1 2.87Å; H951-T955 PolarHBondContact O-N 3.01Å; H951-T955 PolarHBondContact O-OG1 3.22Å; H951-T955 VanDerWaalsContact O-OG1 3.11Å; V952-T955 WeakPolarHBondContact O-CB 3.34Å; V952-T955 PolarHBondContact O-N 2.96Å; V952-T955 VanDerWaalsContact O-N 3.13Å; T955-Y959 VanDerWaalsContact O-CB 3.28Å; T955-Y959 WeakPolarHBondContact O-CB 3.23Å; T955-Y959 PolarHBondContact O-N 3.07Å
956	M	96.4	Very high	92.8	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-44.6	175.6	-61.7	170.7	75.1	0	0	111.7	W766 F831 V856 I858 M906 V952 Y953 Y959 F960	W766-M956 HydrophobicContact CE3-CE 4.32Å; W766-M956 HydrophobicContact CH2-CB 3.45Å; W766-M956 VanDerWaalsContact CH2-CB 3.45Å; W766-M956 HydrophobicContact CH2-CE 3.65Å; W766-M956 HydrophobicContact CH2-CG 4.27Å; W766-M956 HydrophobicContact CH2-SD 3.85Å; W766-M956 HydrophobicContact CZ2-CB 3.9Å; W766-M956 HydrophobicContact CZ3-CB 4.37Å; W766-M956 HydrophobicContact CZ3-CE 3.37Å; W766-M956 HydrophobicContact CZ3-SD 3.89Å; F831-M956 HydrophobicContact CB-CE 3.66Å; F831-M956 HydrophobicContact CD1-CE 4.33Å; F831-M956 HydrophobicContact CD2-CE 3.4Å; F831-M956 VanDerWaalsContact CD2-CE 3.4Å; F831-M956 HydrophobicContact CE2-CE 4.07Å; F831-M956 HydrophobicContact CG-CE 3.54Å; V856-M956 HydrophobicContact CG1-CE 4.29Å; V856-M956 HydrophobicContact CG1-CG 4.29Å; I858-M956 HydrophobicContact CD1-CE 3.79Å; I858-M956 HydrophobicContact CD1-SD 3.65Å; M906-M956 HydrophobicContact CE-CB 4.48Å; M906-M956 HydrophobicContact CE-CG 3.51Å; M906-M956 HydrophobicContact SD-CG 4.35Å; V952-M956 HydrophobicContact CG1-CG 4.44Å; V952-M956 HydrophobicContact CG1-SD 3.88Å; V952-M956 VanDerWaalsContact O-CG 3.3Å; V952-M956 WeakPolarHBondContact O-CG 3.33Å; V952-M956 PolarHBondContact O-N 2.65Å; Y953-M956 HydrophobicContact CD1-SD 4.32Å; Y953-M956 PolarHBondContact O-N 3.17Å; M956-Y959 PolarHBondContact O-N 3.11Å; M956-F960 VanDerWaalsContact O-CG 3.3Å; M956-F960 WeakPolarHBondContact O-CG 3.13Å; M956-F960 PolarHBondContact O-N 2.88Å
957	E	94.6	Very high	91.1	Very high	26 Å²	26	55.1 Å²	55.1	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-57.8	-50.2	176.3	-177.6	-173.2	161.1	0	0	111.5	W766 Y769 R774 Y953 Y959 F960 D961	W766-E957 HydrophobicContact CZ2-CB 4.43Å; Y769-E957 WeakPolarHBondContact CE1-OE2 3.34Å; R774-E957 IonicContact CZ-OE1 2.74Å; R774-E957 IonicContact NE-OE1 2.67Å; R774-E957 PolarHBondContact NE-OE1 3.2Å; R774-E957 VanDerWaalsContact NH2-CG 3.34Å; R774-E957 IonicContact NH2-OE1 3.97Å; R774-E957 PolarHBondContact NH2-OE1 3.34Å; Y953-E957 VanDerWaalsContact O-CB 3.22Å; Y953-E957 WeakPolarHBondContact O-CB 3.42Å; Y953-E957 PolarHBondContact O-N 2.9Å; E957-Y959 VanDerWaalsContact C-N 3.31Å; E957-Y959 PolarHBondContact O-N 3.46Å; E957-F960 PolarHBondContact O-N 3.28Å; E957-D961 PolarHBondContact O-N 3.15Å; E957-D961 VanDerWaalsContact O-N 3.07Å
958	W	95.2	Very high	89.2	Confident	128 Å²	128	52.9 Å²	52.9	49%	0.485	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-38.1	174	167.5	73.9	0	0	0	113.1	K954 D961 E962	K954-W958 VanDerWaalsContact O-CB 3.3Å; K954-W958 WeakPolarHBondContact O-CB 3.17Å; K954-W958 PolarHBondContact O-N 3Å; W958-D961 PolarHBondContact O-N 3.4Å; W958-E962 PolarHBondContact O-N 2.8Å
959	Y	96.7	Very high	86.9	Confident	6 Å²	6	57.3 Å²	57.3	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-72.6	-34.5	179.6	-176.8	-112.9	0	0	0	112.8	C854 V856 N902 L903 M904 R934 T955 M956 E957 E962 C963	C854-Y959 HydrophobicContact CB-CE1 4.03Å; V856-Y959 HydrophobicContact CG2-CD1 3.59Å; V856-Y959 HydrophobicContact CG2-CE1 3.91Å; N902-Y959 WeakPolarHBondContact CB-OH 3.28Å; N902-Y959 PolarHBondContact O-OH 3.12Å; L903-Y959 PolarHBondContact N-OH 2.61Å; L903-Y959 PolarHBondContact O-OH 3.12Å; M904-Y959 HydrophobicContact CB-CD1 3.82Å; M904-Y959 HydrophobicContact CB-CD2 4.42Å; M904-Y959 HydrophobicContact CB-CE1 3.49Å; M904-Y959 VanDerWaalsContact CB-CE1 3.49Å; M904-Y959 HydrophobicContact CB-CE2 4.17Å; M904-Y959 HydrophobicContact CB-CG 4.24Å; M904-Y959 PolarHBondContact N-OH 3.32Å; M904-Y959 HydrophobicContact SD-CD1 4.28Å; M904-Y959 HydrophobicContact SD-CD2 4.11Å; M904-Y959 HydrophobicContact SD-CG 3.88Å; R934-Y959 HydrophobicContact CB-CE2 4.49Å; R934-Y959 HydrophobicContact CG-CD2 4.07Å; R934-Y959 HydrophobicContact CG-CE2 3.65Å; T955-Y959 VanDerWaalsContact O-CB 3.28Å; T955-Y959 WeakPolarHBondContact O-CB 3.23Å; T955-Y959 PolarHBondContact O-N 3.07Å; M956-Y959 PolarHBondContact O-N 3.11Å; E957-Y959 VanDerWaalsContact C-N 3.31Å; E957-Y959 PolarHBondContact O-N 3.46Å; Y959-E962 PolarHBondContact O-N 3.14Å; Y959-C963 WeakPolarHBondContact O-CB 3.19Å; Y959-C963 PolarHBondContact O-N 3.11Å; Y959-C963 PolarHBondContact O-SG 3.32Å
960	F	95.9	Very high	84.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-43.2	170.7	-65.6	-26.1	0	0	0	111.2	V746 W766 L770 F776 C829 F831 V856 M956 E957 E962 C963 F964	V746-F960 HydrophobicContact CB-CE2 4.44Å; V746-F960 HydrophobicContact CG1-CE2 3.61Å; V746-F960 HydrophobicContact CG1-CZ 3.66Å; V746-F960 HydrophobicContact CG2-CD2 3.97Å; V746-F960 HydrophobicContact CG2-CE2 3.89Å; V746-F960 HydrophobicContact CG2-CZ 4.42Å; W766-F960 HydrophobicContact CH2-CD2 4.26Å; W766-F960 AromaticContact CH2-CE2 3.55Å; W766-F960 HydrophobicContact CH2-CE2 3.55Å; W766-F960 HydrophobicContact CH2-CZ 4.32Å; W766-F960 HydrophobicContact CZ3-CE2 4.09Å; L770-F960 HydrophobicContact CD1-CE2 4.36Å; F776-F960 HydrophobicContact CE2-CB 4.45Å; C829-F960 HydrophobicContact CB-CD1 4Å; C829-F960 HydrophobicContact CB-CE1 4.01Å; F831-F960 HydrophobicContact CB-CZ 4.19Å; F831-F960 HydrophobicContact CD1-CZ 4.04Å; F831-F960 HydrophobicContact CG-CZ 4.42Å; V856-F960 HydrophobicContact CG2-CE1 3.81Å; V856-F960 HydrophobicContact CG2-CZ 4.42Å; M956-F960 VanDerWaalsContact O-CG 3.3Å; M956-F960 WeakPolarHBondContact O-CG 3.13Å; M956-F960 PolarHBondContact O-N 2.88Å; E957-F960 PolarHBondContact O-N 3.28Å; F960-E962 PolarHBondContact O-N 3.39Å; F960-C963 PolarHBondContact O-N 3.37Å; F960-C963 VanDerWaalsContact O-N 3.15Å; F960-F964 HydrophobicContact CB-CD2 4.32Å; F960-F964 HydrophobicContact CB-CE2 3.96Å; F960-F964 HydrophobicContact CB-CZ 4.42Å; F960-F964 WeakPolarHBondContact O-CB 3.47Å; F960-F964 WeakPolarHBondContact O-CD2 3.41Å; F960-F964 VanDerWaalsContact O-CG 3.24Å; F960-F964 WeakPolarHBondContact O-CG 3.48Å; F960-F964 PolarHBondContact O-N 2.75Å
961	D	93.2	Very high	82.1	Confident	49 Å²	49	68.1 Å²	68.1	26%	0.262	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-42.6	173	-67.7	-22.6	0	0	0	111.8	R774 E957 W958 C963 G965	R774-D961 IonicContact CZ-OD1 3.65Å; R774-D961 IonicContact CZ-OD2 3.63Å; R774-D961 VanDerWaalsContact CZ-OD2 3.26Å; R774-D961 VanDerWaalsContact NH1-CG 3.26Å; R774-D961 IonicContact NH1-OD1 2.83Å; R774-D961 PolarHBondContact NH1-OD1 2.95Å; R774-D961 IonicContact NH1-OD2 3.31Å; R774-D961 PolarHBondContact NH1-OD2 3.31Å; R774-D961 IonicContact NH2-OD1 3.12Å; R774-D961 IonicContact NH2-OD2 2.76Å; R774-D961 PolarHBondContact NH2-OD2 2.9Å; E957-D961 PolarHBondContact O-N 3.15Å; E957-D961 VanDerWaalsContact O-N 3.07Å; W958-D961 PolarHBondContact O-N 3.4Å; D961-C963 VanDerWaalsContact C-N 3.27Å; D961-C963 PolarHBondContact O-N 3.06Å; D961-G965 PolarHBondContact O-N 2.68Å
962	E	93.3	Very high	79.5	Confident	94 Å²	94	71.1 Å²	71.1	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-37.4	174.4	179.7	173	-147.6	0	0	112.1	R934 W958 Y959 F960	R934-E962 IonicContact CZ-OE1 3.61Å; R934-E962 IonicContact CZ-OE2 3.31Å; R934-E962 IonicContact NE-OE2 3.42Å; R934-E962 PolarHBondContact NE-OE2 3.21Å; R934-E962 IonicContact NH2-OE1 2.71Å; R934-E962 PolarHBondContact NH2-OE1 2.88Å; R934-E962 IonicContact NH2-OE2 3.68Å; R934-E962 PolarHBondContact NH2-OE2 3.19Å; W958-E962 PolarHBondContact O-N 2.8Å; Y959-E962 PolarHBondContact O-N 3.14Å; F960-E962 PolarHBondContact O-N 3.39Å
963	C	93.8	Very high	76.5	Confident	21 Å²	21	75.5 Å²	75.5	14%	0.142	38%	0.382	C	S	.	.	H	α-helix	trans	-88.4	-25.1	-175.5	-63.9	0	0	0	0	114.6	C854 Y959 F960 D961 G965	C854-C963 HydrophobicContact CB-CB 3.64Å; C854-C963 WeakPolarHBondContact CB-SG 3.43Å; C854-C963 VanDerWaalsContact SG-CB 3.53Å; Y959-C963 WeakPolarHBondContact O-CB 3.19Å; Y959-C963 PolarHBondContact O-N 3.11Å; Y959-C963 PolarHBondContact O-SG 3.32Å; F960-C963 PolarHBondContact O-N 3.37Å; F960-C963 VanDerWaalsContact O-N 3.15Å; D961-C963 VanDerWaalsContact C-N 3.27Å; D961-C963 PolarHBondContact O-N 3.06Å; C963-G965 VanDerWaalsContact C-N 3.33Å
964	F	92.8	Very high	74	Confident	28 Å²	28	79.4 Å²	79.4	12%	0.123	41%	0.413	C	S	.	.	H	α-helix	trans	-81	-14.6	172.9	-64.4	-26.1	0	0	0	112.8	P744 V746 F776 R827 C829 F960	P744-F964 HydrophobicContact CB-CD2 3.95Å; P744-F964 HydrophobicContact CB-CE2 3.58Å; P744-F964 HydrophobicContact CB-CZ 3.89Å; P744-F964 HydrophobicContact CG-CD2 4.33Å; P744-F964 HydrophobicContact CG-CE2 4.39Å; V746-F964 HydrophobicContact CG2-CE2 4.44Å; V746-F964 HydrophobicContact CG2-CZ 4.13Å; F776-F964 HydrophobicContact CD2-CE2 4.33Å; F776-F964 HydrophobicContact CE1-CD2 4.47Å; F776-F964 HydrophobicContact CE1-CE2 4.32Å; F776-F964 AromaticContact CE2-CE2 3.96Å; F776-F964 HydrophobicContact CE2-CE2 3.96Å; F776-F964 HydrophobicContact CZ-CD2 4.14Å; F776-F964 AromaticContact CZ-CE2 3.96Å; F776-F964 HydrophobicContact CZ-CE2 3.96Å; R827-F964 VanDerWaalsContact C-CE1 3.42Å; R827-F964 HydrophobicContact CB-CB 4.38Å; R827-F964 HydrophobicContact CB-CD1 3.7Å; R827-F964 HydrophobicContact CB-CE1 4.12Å; R827-F964 HydrophobicContact CB-CG 4.03Å; R827-F964 HydrophobicContact CG-CB 3.97Å; R827-F964 HydrophobicContact CG-CD1 4.15Å; R827-F964 HydrophobicContact CG-CG 4.19Å; R827-F964 WeakPolarHBondContact O-CE1 3.47Å; C829-F964 HydrophobicContact CB-CE1 3.99Å; C829-F964 HydrophobicContact CB-CZ 4.21Å; F960-F964 HydrophobicContact CB-CD2 4.32Å; F960-F964 HydrophobicContact CB-CE2 3.96Å; F960-F964 HydrophobicContact CB-CZ 4.42Å; F960-F964 WeakPolarHBondContact O-CB 3.47Å; F960-F964 WeakPolarHBondContact O-CD2 3.41Å; F960-F964 VanDerWaalsContact O-CG 3.24Å; F960-F964 WeakPolarHBondContact O-CG 3.48Å; F960-F964 PolarHBondContact O-N 2.75Å
965	G	81.2	Confident	71.4	Confident	31 Å²	31	78.7 Å²	78.7	32%	0.32	42%	0.419	S	S	.	.			trans	86.1	-177.6	178.2	0	0	0	0	0	113.3	D961 C963 V967	D961-G965 PolarHBondContact O-N 2.68Å; C963-G965 VanDerWaalsContact C-N 3.33Å; G965-V967 PolarHBondContact O-N 2.81Å
966	P	67.7	Low	68.6	Low	131 Å²	131	80.9 Å²	80.9	85%	0.851	44%	0.443	S	S	*	.			trans	-62.4	126.3	178.3	27.1	-33.7	0	0	0	110.2	D968	P966-D968 PolarHBondContact O-N 2.78Å
967	V	57	Low	65.5	Low	88 Å²	88	87.2 Å²	87.2	53%	0.533	48%	0.477	S	S	.	.			trans	-65.2	126.7	163.2	-179.3	0	0	0	0	107.1	G965 D969	G965-V967 PolarHBondContact O-N 2.81Å; V967-D969 VanDerWaalsContact C-N 3.28Å; V967-D969 PolarHBondContact O-N 2.67Å
968	D	50.7	Low	62.7	Low	112 Å²	112	95.1 Å²	95.1	60%	0.599	51%	0.511	S	S	*	.			trans	-79.6	84.3	173.5	-144	-39.4	0	0	0	107.9	P966 N970 E971	P966-D968 PolarHBondContact O-N 2.78Å; D968-N970 PolarHBondContact O-N 3.17Å; D968-N970 PolarHBondContact OD1-ND2 2.81Å; D968-E971 PolarHBondContact O-N 3.21Å; D968-E971 VanDerWaalsContact O-N 3.09Å
969	D	46.9	Very low	59.5	Low	130 Å²	130	95.2 Å²	95.2	70%	0.695	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-54.2	-9.1	-173.7	-71.1	-32.5	0	0	0	114	V967 E971	V967-D969 VanDerWaalsContact C-N 3.28Å; V967-D969 PolarHBondContact O-N 2.67Å; D969-E971 VanDerWaalsContact C-N 3.28Å; D969-E971 PolarHBondContact O-N 2.96Å
970	N	43.3	Very low	56.3	Low	138 Å²	138	104.1 Å²	104.1	74%	0.738	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-66.2	-19.4	172.8	-65.3	-74	0	0	0	114.6	D968	D968-N970 PolarHBondContact O-N 3.17Å; D968-N970 PolarHBondContact OD1-ND2 2.81Å
971	E	45.4	Very low	53	Low	177 Å²	177	113.7 Å²	113.7	83%	0.827	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-95.3	-12.4	177.6	-73.9	-164.8	142	0	0	114.4	D968 D969	D968-E971 PolarHBondContact O-N 3.21Å; D968-E971 VanDerWaalsContact O-N 3.09Å; D969-E971 VanDerWaalsContact C-N 3.28Å; D969-E971 PolarHBondContact O-N 2.96Å
972	W	42	Very low	50	Low	156 Å²	156	123.9 Å²	123.9	59%	0.591	65%	0.652	S	S	*	*			trans	-126.8	65.6	-171.2	-112.2	40.9	0	0	0	113.4	P974	W972-P974 VanDerWaalsContact O-CD 3.25Å; W972-P974 WeakPolarHBondContact O-CD 3.12Å
973	D	33.5	Very low	47.8	Very low	91 Å²	91	125.4 Å²	125.4	49%	0.487	66%	0.663	S	S	.	*			trans	-74.6	112.3	164	-176.6	-8.3	0	0	0	110.2	T975	D973-T975 VanDerWaalsContact CG-OG1 3.27Å; D973-T975 PolarHBondContact O-N 2.86Å; D973-T975 VanDerWaalsContact O-N 3.11Å; D973-T975 WeakPolarHBondContact OD1-CA 3.39Å; D973-T975 WeakPolarHBondContact OD1-CB 3.44Å; D973-T975 PolarHBondContact OD1-N 3.29Å; D973-T975 PolarHBondContact OD1-OG1 3.44Å; D973-T975 PolarHBondContact OD2-OG1 2.82Å
974	P	42.8	Very low	45.4	Very low	130 Å²	130	130.8 Å²	130.8	84%	0.844	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-1.2	179	32.8	-37.3	0	0	0	113.6	W972	W972-P974 VanDerWaalsContact O-CD 3.25Å; W972-P974 WeakPolarHBondContact O-CD 3.12Å
975	T	40	Very low	42.7	Very low	105 Å²	105	136.6 Å²	136.6	64%	0.644	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	4.8	-178.8	73.3	0	0	0	0	114.6	D973 L977	D973-T975 VanDerWaalsContact CG-OG1 3.27Å; D973-T975 PolarHBondContact O-N 2.86Å; D973-T975 VanDerWaalsContact O-N 3.11Å; D973-T975 WeakPolarHBondContact OD1-CA 3.39Å; D973-T975 WeakPolarHBondContact OD1-CB 3.44Å; D973-T975 PolarHBondContact OD1-N 3.29Å; D973-T975 PolarHBondContact OD1-OG1 3.44Å; D973-T975 PolarHBondContact OD2-OG1 2.82Å; T975-L977 PolarHBondContact O-N 3.44Å
976	G	37.5	Very low	40.5	Very low	56 Å²	56	142.8 Å²	142.8	58%	0.577	75%	0.745	S	S	*	*			trans	71.3	24.5	158	0	0	0	0	0	116.3
977	L	31.4	Very low	38.8	Very low	135 Å²	135	143.5 Å²	143.5	71%	0.707	74%	0.739	S	S	*	*			trans	-105.1	95.6	174.5	-122	79	0	0	0	111.1	T975 V979	T975-L977 PolarHBondContact O-N 3.44Å; L977-V979 PolarHBondContact O-N 3.12Å
978	F	36.7	Very low	37.6	Very low	191 Å²	191	147.2 Å²	147.2	84%	0.838	75%	0.752	S	S	*	*			trans	-65.3	101.7	176.4	-66.9	-80.8	0	0	0	111.8	F980	F978-F980 PolarHBondContact O-N 3.16Å
979	V	28	Very low	36.6	Very low	130 Å²	130	149.7 Å²	149.7	79%	0.788	76%	0.763	S	S	*	*			trans	-90.6	97.9	169.4	-178.2	0	0	0	0	109.1	L977 K981	L977-V979 PolarHBondContact O-N 3.12Å; V979-K981 PolarHBondContact O-N 3.25Å
980	F	29	Very low	35.8	Very low	194 Å²	194	151.2 Å²	151.2	85%	0.851	77%	0.768	S	S	*	*			trans	-58.4	123.4	170	-74.2	-89	0	0	0	110.6	F978	F978-F980 PolarHBondContact O-N 3.16Å
981	K	27.2	Very low	35.2	Very low	200 Å²	200	152.3 Å²	152.3	87%	0.87	77%	0.771	S	S	*	*			trans	-77.6	148.8	160.7	-100.2	174.2	178.8	164.8	0	109.9	V979	V979-K981 PolarHBondContact O-N 3.25Å
982	Q	29	Very low	34.3	Very low	263 Å²	263	150.1 Å²	150.1	100%	1.229	77%	0.766	S	S	*	*			trans	-114.2	0	-174.8	-172.8	175	37.8	0	0	110.6

Retrieved 982 of 982 residues in 316.1 ms (Link to these results)

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