X2JFI2_DROME Loading...

Venom dipeptidyl peptidase 4

AlphaFold DB , UniProt , Accession X2JFI2, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG45002, Length 974 aa.

						>X2JFI2_DROME|X2JFI2|Dmel\CG45002
MQTNVQIDSKNLRSTDDNFRSRGHHITIEELVAISPERRNWRGIFIALLVIAAVFSLIIFSIFLLSPEDEGLRIRGRRMLPSDILGRSLQWKPFNGTWSNGRELIYRDPTGGLSILNMADLTTRILMTNSTFRQLNAESFLVAPDQKYVLLQSDSNAEGSRHHVYEVQTANTFPLGPTENIAEAPRLQHVVWAPANPPPPLGAPPPSGASGASGASGASTTTMAPLPSGSIILNSLAGAANGPASAGASGSSAPNPNGKAGGYNLNQAIAFVHHNDIYYKPKVQGELVCRITQTGSGSLEGESTGVVFNGVPDWMYENVPELESRRSSMEFSPDGLFLAFLSYNDSEVNEYKYTWMGDDIKYPAVMSQRYPKTGSRNPNVTVNVVNLSVIKYIFPTQIKLPSELSNGSYVGGLTWASSTDLSVTVTNREQTKATTVLCRAPHFHCQAVHTEVTINDGWVLPSERPIFSVRNQGHNRLGKMVQNAEEIQAESQNVNVTDGQTHTTHEISNGGYLLKRLPVRDGEHGHYRHVVFISSLDRRPVPLTMGRFEVTEIVGWDEPHEIVYFMAAPEKRPGERHLYKISLKLNVTESNRTYITSTSPTCLTCDNTESTYRLHRARISQRGDRWEDIVARLEPDDCLYDIPKNCLFNRVQFSQDYSYYVQECLGPEAPSVYLVETASNDKIYVLNAGDVLRHRLSQLAIPQSRTFSVEIRHGFHAQVRLFLPPGMREEEDVAFPLVLHVDASPGSQLVTERFHVDWNWYLASQRSFIVAQIDGRGSGFQGELLRTQVHGKLGTVEVEDQLGVLTYLRDNLKFIDPLRICAFGWGYGGYASSMMLIDDSQQVLQCAVAINPIVNFGFHYSFFTERYIPLKGDYLRALQEADLTMKAGNIKGRNLMLMHGTADTLVHQEHTLMLVRALVEQQVKFRHQVYPDEDHAIARSLSHVYKTMEWYFDECFGPVDDNEWDPTGLFVFKQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	31.6	Very low	236 Å²	236	156.9 Å²	156.9	100%	1.163	83%	0.827	S	S	*	*				0	107.4	0	-67	158.4	173	0	0	105.7
2	Q	34.7	Very low	31.5	Very low	187 Å²	187	157.8 Å²	157.8	87%	0.874	83%	0.831	S	S	*	*				62.2	105	70	-82	-168.6	-24.6	0	0	114
3	T	31.6	Very low	31.4	Very low	144 Å²	144	164.3 Å²	164.3	88%	0.883	84%	0.838	S	S	*	*				-152.2	141.4	127.9	19.3	0	0	0	0	108.9
4	N	34	Very low	31.3	Very low	152 Å²	152	159.9 Å²	159.9	81%	0.813	83%	0.829	S	S	*	*			trans	-89.8	172.3	168.9	-64.7	-25.3	0	0	0	109.8
5	V	30.9	Very low	31.5	Very low	146 Å²	146	156.7 Å²	156.7	89%	0.885	82%	0.819	S	S	*	*				-170.9	157.3	121.3	140.4	0	0	0	0	110.7
6	Q	29.4	Very low	31.7	Very low	154 Å²	154	155.7 Å²	155.7	72%	0.72	82%	0.815	S	S	*	*			trans	-118	156.7	-173.1	-67	167.5	-99.4	0	0	112.2
7	I	31.8	Very low	32	Very low	148 Å²	148	154.2 Å²	154.2	76%	0.759	81%	0.808	S	S	*	*			trans	66.9	152.4	140.9	-72.5	166.7	0	0	0	115.7
8	D	31.3	Very low	32.1	Very low	116 Å²	116	153.4 Å²	153.4	62%	0.62	81%	0.805	S	S	*	*			cis	-141.5	176.3	8.6	-155.5	-9.8	0	0	0	110.5
9	S	28.9	Very low	32.2	Very low	115 Å²	115	154.2 Å²	154.2	80%	0.804	80%	0.801	S	S	*	*			trans	179.8	154.4	132.1	38.4	0	0	0	0	113.5
10	K	33.2	Very low	32.4	Very low	179 Å²	179	156.7 Å²	156.7	78%	0.778	80%	0.8	S	S	*	*			trans	-115.9	160.6	-172.4	-68.8	169.8	179.8	165.5	0	112.7
11	N	29.9	Very low	32.4	Very low	149 Å²	149	153.7 Å²	153.7	80%	0.797	79%	0.793	S	S	*	*			trans	-2.9	140.4	142.7	-66	-6.8	0	0	0	116.1
12	L	30.6	Very low	32.4	Very low	168 Å²	168	153.7 Å²	153.7	88%	0.88	78%	0.78	S	S	*	*				-166.5	-177	50.8	-127.6	143.5	0	0	0	111.4
13	R	29.7	Very low	32.2	Very low	242 Å²	242	148.2 Å²	148.2	91%	0.913	77%	0.774	S	S	*	*			trans	-130.4	140.7	-178.3	-139.8	-175.3	-165.7	-171.7	4.8	112.4
14	S	29.8	Very low	32.1	Very low	102 Å²	102	150.7 Å²	150.7	71%	0.713	78%	0.775	S	S	*	*			trans	-163.8	151.8	169.1	-164.2	0	0	0	0	107.6
15	T	34.4	Very low	32	Very low	112 Å²	112	151.2 Å²	151.2	69%	0.687	77%	0.772	S	S	*	*			cis	-121.1	-123.5	1.4	-32.4	0	0	0	0	110
16	D	34.5	Very low	32	Very low	141 Å²	141	152.1 Å²	152.1	75%	0.754	77%	0.77	S	S	*	*			cis	-155.2	171.6	0.1	-141.9	-66.8	0	0	0	110.8
17	D	38.1	Very low	32.3	Very low	130 Å²	130	150.4 Å²	150.4	70%	0.695	77%	0.771	S	S	*	*			trans	-107.7	151.9	-161.9	-83	-55.1	0	0	0	116.5
18	N	33.6	Very low	32.4	Very low	141 Å²	141	151.4 Å²	151.4	75%	0.754	78%	0.776	S	S	*	*				171.6	128.8	106.6	-96.1	-79.9	0	0	0	116.9
19	F	33.7	Very low	32.6	Very low	167 Å²	167	154.5 Å²	154.5	73%	0.732	79%	0.787	S	S	*	*			trans	28.1	146.9	130.9	-104.3	-148.5	0	0	0	122.8
20	R	35.6	Very low	32.9	Very low	204 Å²	204	156.6 Å²	156.6	77%	0.77	78%	0.784	S	S	*	*			cis	-168.6	165	17.2	-160.3	179	-166.3	166.4	5.6	113.2
21	S	32.8	Very low	32.9	Very low	94 Å²	94	154.9 Å²	154.9	66%	0.657	78%	0.782	S	S	*	*			trans	86.3	136	150.2	-138.2	0	0	0	0	117.5
22	R	32.7	Very low	33	Very low	237 Å²	237	154.8 Å²	154.8	89%	0.894	79%	0.787	S	S	*	*			cis	-164.2	142.4	-2.2	-135.6	178.2	-174.4	173	1	113.1
23	G	29	Very low	33.2	Very low	72 Å²	72	151 Å²	151	74%	0.742	78%	0.78	S	S	*	*			trans	82.3	143.8	156.5	0	0	0	0	0	117
24	H	29.4	Very low	34.2	Very low	195 Å²	195	147.4 Å²	147.4	90%	0.903	78%	0.777	S	S	*	*			cis	-130.8	167.4	2.6	-115.4	-17.1	0	0	0	112.2
25	H	32.4	Very low	34.8	Very low	163 Å²	163	147.7 Å²	147.7	76%	0.755	78%	0.779	S	S	*	*			trans	-80.9	153	-175.9	-80.4	-110.5	0	0	0	113.6
26	I	30.6	Very low	35.6	Very low	165 Å²	165	148.1 Å²	148.1	85%	0.846	78%	0.784	S	S	*	*				-148.1	143.3	113.6	-95.5	150.6	0	0	0	107.5
27	T	37.3	Very low	36.4	Very low	119 Å²	119	150.6 Å²	150.6	73%	0.73	79%	0.791	S	S	*	*			trans	-94.3	147.1	-179.4	44.8	0	0	0	0	111.5
28	I	33.6	Very low	37.4	Very low	168 Å²	168	156 Å²	156	86%	0.862	80%	0.801	S	S	*	*			trans	-127	127	167.1	-60.8	176.9	0	0	0	107.7
29	E	35.3	Very low	38.8	Very low	182 Å²	182	157.9 Å²	157.9	85%	0.85	80%	0.798	S	S	*	*			trans	-139.7	145.3	164.3	-153.3	171	-143.7	0	0	108
30	E	34.3	Very low	40.3	Very low	159 Å²	159	155.4 Å²	155.4	74%	0.743	79%	0.792	S	S	*	*	S	Bend	trans	65.3	140.4	168.9	-64.8	-137.2	113.9	0	0	122.5
31	L	32.7	Very low	41.8	Very low	142 Å²	142	153.9 Å²	153.9	74%	0.743	79%	0.787	S	S	*	*			trans	54.2	103.6	142	-63.8	166.8	0	0	0	120.7
32	V	33.7	Very low	43.7	Very low	148 Å²	148	159.4 Å²	159.4	90%	0.897	79%	0.793	S	S	*	*			trans	-108.3	98.7	148.5	179.3	0	0	0	0	109.4
33	A	35.1	Very low	45.6	Very low	89 Å²	89	149.9 Å²	149.9	74%	0.736	77%	0.769	S	S	*	*			trans	-85.6	151.3	165.5	0	0	0	0	0	110.7
34	I	49.4	Very low	47.9	Very low	165 Å²	165	149.7 Å²	149.7	85%	0.846	75%	0.75	S	S	*	*			trans	-80.2	140.3	-169	-60.9	162.1	0	0	0	111.8
35	S	43.1	Very low	50.2	Low	109 Å²	109	147.5 Å²	147.5	76%	0.762	74%	0.738	S	S	*	*			trans	-138	154.7	148.5	69.2	0	0	0	0	110.7
36	P	50.4	Low	52.5	Low	121 Å²	121	144.9 Å²	144.9	79%	0.786	73%	0.729	S	S	*	*			trans	-111.1	118.1	-153.4	36.4	-27	0	0	0	115
37	E	51.5	Low	54.8	Low	192 Å²	192	139.4 Å²	139.4	90%	0.897	71%	0.708	S	S	*	*			trans	-82.3	148.6	155.1	-78.7	-139.2	113.8	0	0	111.7	R39	E37-R39 PolarHBondContact O-N 2.84Å
38	R	59.8	Low	57.1	Low	245 Å²	245	138.8 Å²	138.8	93%	0.925	70%	0.699	S	S	*	*			trans	-69.6	94.9	-177.7	-73.5	-179.8	168.7	-168.4	-2.6	111.2	N40	R38-N40 PolarHBondContact O-N 3.05Å; R38-N40 VanDerWaalsContact O-N 3.08Å
39	R	61.7	Low	59.6	Low	179 Å²	179	136 Å²	136	68%	0.675	69%	0.686	S	S	*	*			trans	-48.6	120.1	161.1	-93.7	-174.5	170.8	175.7	-2.1	109	E37 W41	E37-R39 PolarHBondContact O-N 2.84Å; R39-W41 PolarHBondContact O-N 3.08Å
40	N	65.3	Low	62.2	Low	116 Å²	116	131.4 Å²	131.4	62%	0.62	67%	0.67	S	S	*	*			trans	-78.5	72.5	-178.9	-167.9	-3.5	0	0	0	109.9	R38 R42 G43 I44	R38-N40 PolarHBondContact O-N 3.05Å; R38-N40 VanDerWaalsContact O-N 3.08Å; N40-R42 PolarHBondContact O-N 2.95Å; N40-G43 PolarHBondContact O-N 3.3Å; N40-I44 PolarHBondContact O-N 3.34Å
41	W	68.8	Low	64.8	Low	172 Å²	172	128 Å²	128	65%	0.652	66%	0.656	S	S	*	*	H	α-helix	trans	-52	-31.7	-173.3	-75.2	96.3	0	0	0	113.5	R39 I44 F45	R39-W41 PolarHBondContact O-N 3.08Å; W41-I44 PolarHBondContact O-N 2.9Å; W41-F45 WeakPolarHBondContact O-CB 3.43Å; W41-F45 PolarHBondContact O-N 3.38Å
42	R	71	Confident	67.4	Low	209 Å²	209	123.7 Å²	123.7	79%	0.789	64%	0.641	S	S	*	*	H	α-helix	trans	-60.7	-44.3	174.4	-71.8	-177.6	170.7	-173.9	-4.4	112.3	N40 F45 I46	N40-R42 PolarHBondContact O-N 2.95Å; R42-F45 PolarHBondContact O-N 2.99Å; R42-I46 WeakPolarHBondContact O-CB 3.47Å; R42-I46 WeakPolarHBondContact O-CD1 3.36Å; R42-I46 VanDerWaalsContact O-CG1 3.23Å; R42-I46 WeakPolarHBondContact O-CG1 3.37Å; R42-I46 PolarHBondContact O-N 3.45Å
43	G	73.2	Confident	70	Confident	37 Å²	37	118.9 Å²	118.9	38%	0.381	62%	0.617	S	S	.	*	H	α-helix	trans	-65.7	-40.6	176.3	0	0	0	0	0	112.6	N40 I46 A47	N40-G43 PolarHBondContact O-N 3.3Å; G43-I46 PolarHBondContact O-N 3.25Å; G43-A47 WeakPolarHBondContact O-CB 3.36Å; G43-A47 PolarHBondContact O-N 3.44Å
44	I	77.2	Confident	72.7	Confident	69 Å²	69	118.1 Å²	118.1	35%	0.354	60%	0.602	S	S	.	*	H	α-helix	trans	-64.8	-43	176.7	-60	172.8	0	0	0	110.8	N40 W41 A47 L48	N40-I44 PolarHBondContact O-N 3.34Å; W41-I44 PolarHBondContact O-N 2.9Å; I44-A47 PolarHBondContact O-N 2.87Å; I44-L48 HydrophobicContact CG2-CD1 4.16Å; I44-L48 WeakPolarHBondContact O-CG 3.42Å; I44-L48 PolarHBondContact O-N 3.43Å
45	F	77.3	Confident	74.6	Confident	148 Å²	148	116.1 Å²	116.1	65%	0.649	59%	0.588	S	S	*	*	H	α-helix	trans	-66.8	-41.6	179.1	-143.4	-83.2	0	0	0	111.7	W41 R42 L48 L49	W41-F45 WeakPolarHBondContact O-CB 3.43Å; W41-F45 PolarHBondContact O-N 3.38Å; R42-F45 PolarHBondContact O-N 2.99Å; F45-L48 PolarHBondContact O-N 2.92Å; F45-L49 WeakPolarHBondContact O-CB 3.23Å; F45-L49 PolarHBondContact O-N 2.9Å
46	I	81.9	Confident	76.6	Confident	109 Å²	109	114.5 Å²	114.5	56%	0.559	58%	0.577	S	S	*	*	H	α-helix	trans	-63.1	-44.6	174.3	-69.1	164.4	0	0	0	110.7	R42 G43 L48 L49 V50	R42-I46 WeakPolarHBondContact O-CB 3.47Å; R42-I46 WeakPolarHBondContact O-CD1 3.36Å; R42-I46 VanDerWaalsContact O-CG1 3.23Å; R42-I46 WeakPolarHBondContact O-CG1 3.37Å; R42-I46 PolarHBondContact O-N 3.45Å; G43-I46 PolarHBondContact O-N 3.25Å; I46-L48 PolarHBondContact O-N 3.48Å; I46-L49 PolarHBondContact O-N 3.47Å; I46-V50 HydrophobicContact CG2-CG2 4.44Å; I46-V50 WeakPolarHBondContact O-CG2 3.33Å; I46-V50 PolarHBondContact O-N 2.95Å
47	A	79.3	Confident	78.3	Confident	49 Å²	49	114.3 Å²	114.3	41%	0.405	57%	0.568	S	S	.	*	H	α-helix	trans	-60.7	-44.9	177.3	0	0	0	0	0	112.1	G43 I44 L49 V50 I51	G43-A47 WeakPolarHBondContact O-CB 3.36Å; G43-A47 PolarHBondContact O-N 3.44Å; I44-A47 PolarHBondContact O-N 2.87Å; A47-L49 PolarHBondContact O-N 2.85Å; A47-V50 PolarHBondContact O-N 2.89Å; A47-I51 WeakPolarHBondContact O-CB 3.37Å; A47-I51 WeakPolarHBondContact O-CD1 3.32Å; A47-I51 VanDerWaalsContact O-CG1 3.23Å; A47-I51 WeakPolarHBondContact O-CG1 3.37Å; A47-I51 PolarHBondContact O-N 2.89Å
48	L	84.2	Confident	80.1	Confident	106 Å²	106	109.1 Å²	109.1	56%	0.555	55%	0.546	S	S	*	.	H	α-helix	trans	-63.7	-38.2	175.3	-76.2	170.2	0	0	0	112.7	I44 F45 I46 I51 A52	I44-L48 HydrophobicContact CG2-CD1 4.16Å; I44-L48 WeakPolarHBondContact O-CG 3.42Å; I44-L48 PolarHBondContact O-N 3.43Å; F45-L48 PolarHBondContact O-N 2.92Å; I46-L48 PolarHBondContact O-N 3.48Å; L48-I51 PolarHBondContact O-N 3.41Å; L48-A52 VanDerWaalsContact O-CB 3.32Å; L48-A52 WeakPolarHBondContact O-CB 3.23Å; L48-A52 PolarHBondContact O-N 3.49Å
49	L	87.1	Confident	81.1	Confident	111 Å²	111	102.7 Å²	102.7	58%	0.581	53%	0.529	S	S	*	.	H	α-helix	trans	-69.2	-39.6	178.3	-148.5	169.4	0	0	0	111.2	F45 I46 A47 A52 A53	F45-L49 WeakPolarHBondContact O-CB 3.23Å; F45-L49 PolarHBondContact O-N 2.9Å; I46-L49 PolarHBondContact O-N 3.47Å; A47-L49 PolarHBondContact O-N 2.85Å; L49-A52 PolarHBondContact O-N 3.43Å; L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 2.95Å
50	V	89.1	Confident	82.1	Confident	84 Å²	84	100.1 Å²	100.1	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-64.9	-44.3	172.3	171.7	0	0	0	0	111.2	I46 A47 A52 A53 V54	I46-V50 HydrophobicContact CG2-CG2 4.44Å; I46-V50 WeakPolarHBondContact O-CG2 3.33Å; I46-V50 PolarHBondContact O-N 2.95Å; A47-V50 PolarHBondContact O-N 2.89Å; V50-A52 VanDerWaalsContact C-N 3.35Å; V50-A52 PolarHBondContact O-N 2.88Å; V50-A53 PolarHBondContact O-N 2.91Å; V50-V54 HydrophobicContact CG1-CG2 4.42Å; V50-V54 WeakPolarHBondContact O-CB 3.46Å; V50-V54 WeakPolarHBondContact O-CG2 3.45Å; V50-V54 PolarHBondContact O-N 2.88Å
51	I	88.6	Confident	82.9	Confident	89 Å²	89	97.2 Å²	97.2	46%	0.456	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.8	-71.8	164.4	0	0	0	110.6	A47 L48 V54 F55	A47-I51 WeakPolarHBondContact O-CB 3.37Å; A47-I51 WeakPolarHBondContact O-CD1 3.32Å; A47-I51 VanDerWaalsContact O-CG1 3.23Å; A47-I51 WeakPolarHBondContact O-CG1 3.37Å; A47-I51 PolarHBondContact O-N 2.89Å; L48-I51 PolarHBondContact O-N 3.41Å; I51-V54 PolarHBondContact O-N 2.85Å; I51-F55 HydrophobicContact CG2-CD2 3.71Å; I51-F55 HydrophobicContact CG2-CE2 3.83Å; I51-F55 WeakPolarHBondContact O-CD2 3.47Å; I51-F55 PolarHBondContact O-N 3.49Å
52	A	87.1	Confident	83.4	Confident	51 Å²	51	93.6 Å²	93.6	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-44.3	176	0	0	0	0	0	112	L48 L49 V50 V54 F55 S56	L48-A52 VanDerWaalsContact O-CB 3.32Å; L48-A52 WeakPolarHBondContact O-CB 3.23Å; L48-A52 PolarHBondContact O-N 3.49Å; L49-A52 PolarHBondContact O-N 3.43Å; V50-A52 VanDerWaalsContact C-N 3.35Å; V50-A52 PolarHBondContact O-N 2.88Å; A52-V54 PolarHBondContact O-N 3.28Å; A52-F55 PolarHBondContact O-N 3.37Å; A52-S56 WeakPolarHBondContact O-CB 3.12Å; A52-S56 PolarHBondContact O-N 3.45Å; A52-S56 PolarHBondContact O-OG 3.32Å; A52-S56 VanDerWaalsContact O-OG 3.13Å
53	A	88.8	Confident	83.6	Confident	47 Å²	47	91.7 Å²	91.7	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-38.6	177	0	0	0	0	0	112.6	L49 V50 S56 L57	L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 2.95Å; V50-A53 PolarHBondContact O-N 2.91Å; A53-S56 PolarHBondContact O-N 3.3Å; A53-L57 WeakPolarHBondContact O-CB 3.38Å; A53-L57 PolarHBondContact O-N 3.48Å
54	V	91.4	Very high	83.6	Confident	72 Å²	72	95.3 Å²	95.3	44%	0.436	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-42.7	174.2	169.8	0	0	0	0	111	V50 I51 A52 L57 I58	V50-V54 HydrophobicContact CG1-CG2 4.42Å; V50-V54 WeakPolarHBondContact O-CB 3.46Å; V50-V54 WeakPolarHBondContact O-CG2 3.45Å; V50-V54 PolarHBondContact O-N 2.88Å; I51-V54 PolarHBondContact O-N 2.85Å; A52-V54 PolarHBondContact O-N 3.28Å; V54-L57 PolarHBondContact O-N 3.13Å; V54-I58 HydrophobicContact CG1-CD1 3.79Å; V54-I58 HydrophobicContact CG1-CG1 4.45Å; V54-I58 VanDerWaalsContact O-CG1 3.29Å; V54-I58 WeakPolarHBondContact O-CG1 3.29Å; V54-I58 PolarHBondContact O-N 2.82Å
55	F	89.8	Confident	83.2	Confident	123 Å²	123	98.6 Å²	98.6	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-41.7	172.9	-90.1	-66.4	0	0	0	112.3	I51 A52 L57 I58 I59	I51-F55 HydrophobicContact CG2-CD2 3.71Å; I51-F55 HydrophobicContact CG2-CE2 3.83Å; I51-F55 WeakPolarHBondContact O-CD2 3.47Å; I51-F55 PolarHBondContact O-N 3.49Å; A52-F55 PolarHBondContact O-N 3.37Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.87Å; F55-I58 PolarHBondContact O-N 3.46Å; F55-I59 WeakPolarHBondContact O-CB 3.43Å; F55-I59 WeakPolarHBondContact O-CD1 3.14Å; F55-I59 VanDerWaalsContact O-CG1 3.23Å; F55-I59 WeakPolarHBondContact O-CG1 3.49Å; F55-I59 PolarHBondContact O-N 2.84Å
56	S	84.9	Confident	81.9	Confident	76 Å²	76	94.2 Å²	94.2	53%	0.531	52%	0.517	S	S	.	.	H	α-helix	trans	-61.4	-40	173.8	-65.4	0	0	0	0	112.1	A52 A53 F60	A52-S56 WeakPolarHBondContact O-CB 3.12Å; A52-S56 PolarHBondContact O-N 3.45Å; A52-S56 PolarHBondContact O-OG 3.32Å; A52-S56 VanDerWaalsContact O-OG 3.13Å; A53-S56 PolarHBondContact O-N 3.3Å; S56-F60 WeakPolarHBondContact O-CB 3.39Å; S56-F60 PolarHBondContact O-N 3.26Å
57	L	87.3	Confident	80.4	Confident	117 Å²	117	93.7 Å²	93.7	61%	0.613	52%	0.52	S	S	*	.	H	α-helix	trans	-67.6	-38.8	174.1	-82.9	166.2	0	0	0	112.6	A53 V54 F55 S61	A53-L57 WeakPolarHBondContact O-CB 3.38Å; A53-L57 PolarHBondContact O-N 3.48Å; V54-L57 PolarHBondContact O-N 3.13Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.87Å; L57-S61 WeakPolarHBondContact O-CB 3.47Å; L57-S61 PolarHBondContact O-N 2.82Å
58	I	88.1	Confident	78.8	Confident	83 Å²	83	100.2 Å²	100.2	43%	0.426	54%	0.543	S	S	.	.	H	α-helix	trans	-65.4	-46.9	175.1	-70.5	165.4	0	0	0	110.3	V54 F55 S61 I62	V54-I58 HydrophobicContact CG1-CD1 3.79Å; V54-I58 HydrophobicContact CG1-CG1 4.45Å; V54-I58 VanDerWaalsContact O-CG1 3.29Å; V54-I58 WeakPolarHBondContact O-CG1 3.29Å; V54-I58 PolarHBondContact O-N 2.82Å; F55-I58 PolarHBondContact O-N 3.46Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-I62 HydrophobicContact CG2-CD1 3.84Å; I58-I62 WeakPolarHBondContact O-CB 3.23Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.27Å; I58-I62 PolarHBondContact O-N 3.33Å
59	I	81.7	Confident	76.8	Confident	110 Å²	110	101.6 Å²	101.6	56%	0.564	55%	0.551	S	S	*	*	H	α-helix	trans	-63.4	-42.8	178.1	-67.9	163.5	0	0	0	110.8	F55 I62 F63	F55-I59 WeakPolarHBondContact O-CB 3.43Å; F55-I59 WeakPolarHBondContact O-CD1 3.14Å; F55-I59 VanDerWaalsContact O-CG1 3.23Å; F55-I59 WeakPolarHBondContact O-CG1 3.49Å; F55-I59 PolarHBondContact O-N 2.84Å; I59-I62 PolarHBondContact O-N 3.05Å; I59-F63 WeakPolarHBondContact O-CB 3.49Å; I59-F63 PolarHBondContact O-N 3.21Å
60	F	82.8	Confident	74.5	Confident	124 Å²	124	103.2 Å²	103.2	54%	0.544	56%	0.555	S	S	.	*	H	α-helix	trans	-68.4	-35.8	176.6	-176.1	-109.6	0	0	0	112.6	S56 F63 L64	S56-F60 WeakPolarHBondContact O-CB 3.39Å; S56-F60 PolarHBondContact O-N 3.26Å; F60-F63 CarbonylContact O-C 3.59Å; F60-F63 PolarHBondContact O-N 3.41Å; F60-L64 HydrophobicContact CD1-CD1 3.91Å; F60-L64 HydrophobicContact CE1-CD1 3.41Å; F60-L64 VanDerWaalsContact CE1-CD1 3.41Å; F60-L64 HydrophobicContact CE1-CG 4.39Å; F60-L64 HydrophobicContact CE2-CD1 4.35Å; F60-L64 HydrophobicContact CZ-CD1 3.67Å; F60-L64 HydrophobicContact CZ-CG 4.33Å; F60-L64 WeakPolarHBondContact O-CG 3.38Å; F60-L64 PolarHBondContact O-N 2.84Å
61	S	82.1	Confident	72.2	Confident	55 Å²	55	101.9 Å²	101.9	39%	0.385	56%	0.559	S	S	.	*	H	α-helix	trans	-68.4	-40	173.8	-165.6	0	0	0	0	111.3	L57 I58 L64 L65	L57-S61 WeakPolarHBondContact O-CB 3.47Å; L57-S61 PolarHBondContact O-N 2.82Å; I58-S61 PolarHBondContact O-N 3.21Å; S61-L64 PolarHBondContact O-N 2.89Å; S61-L65 VanDerWaalsContact O-CB 3.23Å; S61-L65 WeakPolarHBondContact O-CB 3.44Å; S61-L65 VanDerWaalsContact O-CG 3.26Å; S61-L65 WeakPolarHBondContact O-CG 3.23Å; S61-L65 PolarHBondContact O-N 3.31Å; S61-L65 WeakPolarHBondContact OG-CD1 3.26Å
62	I	78.5	Confident	70.2	Confident	96 Å²	96	103 Å²	103	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-60.6	-46.2	169.9	-69.6	164.3	0	0	0	109.8	I58 I59 L64 L65 S66	I58-I62 HydrophobicContact CG2-CD1 3.84Å; I58-I62 WeakPolarHBondContact O-CB 3.23Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.27Å; I58-I62 PolarHBondContact O-N 3.33Å; I59-I62 PolarHBondContact O-N 3.05Å; I62-L64 PolarHBondContact O-N 3.13Å; I62-L64 VanDerWaalsContact O-N 3.13Å; I62-L65 PolarHBondContact O-N 2.87Å; I62-S66 VanDerWaalsContact O-CB 3.23Å; I62-S66 WeakPolarHBondContact O-CB 3.23Å; I62-S66 PolarHBondContact O-N 3.47Å; I62-S66 PolarHBondContact O-OG 2.81Å
63	F	74.8	Confident	68.6	Low	169 Å²	169	110.1 Å²	110.1	74%	0.741	58%	0.581	S	S	*	*	H	α-helix	trans	-66.3	-12	178.1	-156.7	-89.4	0	0	0	114.5	I59 F60	I59-F63 WeakPolarHBondContact O-CB 3.49Å; I59-F63 PolarHBondContact O-N 3.21Å; F60-F63 CarbonylContact O-C 3.59Å; F60-F63 PolarHBondContact O-N 3.41Å
64	L	73.8	Confident	67.4	Low	114 Å²	114	110.8 Å²	110.8	60%	0.597	58%	0.577	S	S	*	*	H	α-helix	trans	-107.4	-16.4	174.5	-75.6	177	0	0	0	114.2	F60 S61 I62	F60-L64 HydrophobicContact CD1-CD1 3.91Å; F60-L64 HydrophobicContact CE1-CD1 3.41Å; F60-L64 VanDerWaalsContact CE1-CD1 3.41Å; F60-L64 HydrophobicContact CE1-CG 4.39Å; F60-L64 HydrophobicContact CE2-CD1 4.35Å; F60-L64 HydrophobicContact CZ-CD1 3.67Å; F60-L64 HydrophobicContact CZ-CG 4.33Å; F60-L64 WeakPolarHBondContact O-CG 3.38Å; F60-L64 PolarHBondContact O-N 2.84Å; S61-L64 PolarHBondContact O-N 2.89Å; I62-L64 PolarHBondContact O-N 3.13Å; I62-L64 VanDerWaalsContact O-N 3.13Å
65	L	68.8	Low	66.3	Low	138 Å²	138	116.6 Å²	116.6	72%	0.723	59%	0.591	S	S	*	*	H	α-helix	trans	-112.7	-26.7	-176	-66.5	175.2	0	0	0	113.1	S61 I62	S61-L65 VanDerWaalsContact O-CB 3.23Å; S61-L65 WeakPolarHBondContact O-CB 3.44Å; S61-L65 VanDerWaalsContact O-CG 3.26Å; S61-L65 WeakPolarHBondContact O-CG 3.23Å; S61-L65 PolarHBondContact O-N 3.31Å; S61-L65 WeakPolarHBondContact OG-CD1 3.26Å; I62-L65 PolarHBondContact O-N 2.87Å
66	S	49.7	Very low	66	Low	56 Å²	56	112.7 Å²	112.7	39%	0.392	59%	0.586	S	S	.	*	S	Bend	trans	-63.1	128.8	148.5	-70.2	0	0	0	0	107	I62	I62-S66 VanDerWaalsContact O-CB 3.23Å; I62-S66 WeakPolarHBondContact O-CB 3.23Å; I62-S66 PolarHBondContact O-N 3.47Å; I62-S66 PolarHBondContact O-OG 2.81Å
67	P	51.4	Low	66.4	Low	97 Å²	97	114.3 Å²	114.3	63%	0.63	58%	0.581	S	S	*	*			trans	-60.6	170.2	162.3	30.3	-34.9	0	0	0	109.5	D69	P67-D69 VanDerWaalsContact C-N 3.29Å; P67-D69 PolarHBondContact O-N 2.85Å
68	E	44.3	Very low	66.7	Low	186 Å²	186	113 Å²	113	87%	0.869	57%	0.567	S	S	*	*			trans	-63.3	98.5	159.3	-73.3	-172.6	128.1	0	0	108.3	E70	E68-E70 PolarHBondContact O-N 2.86Å
69	D	42.6	Very low	66.9	Low	136 Å²	136	109 Å²	109	73%	0.727	55%	0.547	S	S	*	.			trans	-62.3	89.3	158.3	-79.5	-34.3	0	0	0	107.4	P67 G71	P67-D69 VanDerWaalsContact C-N 3.29Å; P67-D69 PolarHBondContact O-N 2.85Å; D69-G71 PolarHBondContact O-N 3Å
70	E	39	Very low	67.3	Low	145 Å²	145	107.4 Å²	107.4	68%	0.678	54%	0.539	S	S	*	.			trans	-63.2	67.4	153	-86.5	-146	-155.4	0	0	108.2	E68 L72	E68-E70 PolarHBondContact O-N 2.86Å; E70-L72 PolarHBondContact O-N 2.69Å
71	G	40.5	Very low	67.6	Low	56 Å²	56	103.5 Å²	103.5	58%	0.577	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	106.2	-166.5	0	0	0	0	0	111.6	D69 R73	D69-G71 PolarHBondContact O-N 3Å; G71-R73 VanDerWaalsContact C-N 3.27Å; G71-R73 PolarHBondContact O-N 2.99Å
72	L	47.2	Very low	67.9	Low	113 Å²	113	104.4 Å²	104.4	59%	0.592	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	9.9	66.8	-176.7	-73.1	168.3	0	0	0	114.7	E70 I74 G726	E70-L72 PolarHBondContact O-N 2.69Å; L72-I74 PolarHBondContact O-N 3.25Å; L72-G726 VanDerWaalsContact CD2-O 3.32Å; L72-G726 WeakPolarHBondContact CD2-O 3.31Å
73	R	53	Low	68.5	Low	200 Å²	200	100.8 Å²	100.8	76%	0.755	51%	0.514	S	S	*	.			trans	-75.4	67.1	173.2	-87.4	-175.4	164.6	172.9	-2.5	111	G71 R75	G71-R73 VanDerWaalsContact C-N 3.27Å; G71-R73 PolarHBondContact O-N 2.99Å; R73-R75 WeakPolarHBondContact O-CG 3.48Å; R73-R75 PolarHBondContact O-N 3.43Å
74	I	64	Low	69.3	Low	61 Å²	61	93.3 Å²	93.3	31%	0.313	48%	0.482	S	S	.	.			trans	-51.3	106.7	157.9	-61.5	176.2	0	0	0	106.4	L72 A700 P725	L72-I74 PolarHBondContact O-N 3.25Å; I74-A700 HydrophobicContact CG2-CB 3.41Å; I74-A700 VanDerWaalsContact CG2-CB 3.41Å; I74-P725 WeakPolarHBondContact CD1-O 3.33Å; I74-P725 HydrophobicContact CG2-CB 4.13Å
75	R	68.3	Low	70	Confident	193 Å²	193	90.9 Å²	90.9	73%	0.728	47%	0.469	S	S	*	.			trans	-80.9	129.5	-175.9	-61.5	-169.6	-178.3	-165.9	-0.5	109	R73 L699 A700	R73-R75 WeakPolarHBondContact O-CG 3.48Å; R73-R75 PolarHBondContact O-N 3.43Å; R75-L699 CarbonylContact O-C 3.59Å; R75-A700 WeakPolarHBondContact O-CA 3.33Å; R75-A700 PolarHBondContact O-N 2.66Å
76	G	84.4	Confident	70.7	Confident	42 Å²	42	85.4 Å²	85.4	43%	0.433	45%	0.446	S	S	.	.	S	Bend	trans	81.4	179.1	-177.6	0	0	0	0	0	114.1	Q698	G76-Q698 CarbonylContact C-O 3.54Å; G76-Q698 VanDerWaalsContact CA-C 3.49Å; G76-Q698 WeakPolarHBondContact CA-O 3.47Å
77	R	92.9	Very high	72.3	Confident	110 Å²	110	93.7 Å²	93.7	42%	0.415	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-86.8	153.7	177.5	62.3	172.6	-176	79.1	-4.7	111.3	D83 Q698 L699 A700	R77-D83 IonicContact CZ-OD1 3.94Å; R77-D83 IonicContact CZ-OD2 3.7Å; R77-D83 IonicContact NH1-OD1 3.64Å; R77-D83 IonicContact NH1-OD2 3.11Å; R77-D83 PolarHBondContact NH1-OD2 3.22Å; R77-D83 VanDerWaalsContact NH2-CG 3.28Å; R77-D83 IonicContact NH2-OD1 2.74Å; R77-D83 PolarHBondContact NH2-OD1 2.89Å; R77-D83 IonicContact NH2-OD2 2.84Å; R77-D83 PolarHBondContact NH2-OD2 2.95Å; R77-Q698 PolarHBondContact N-O 3.41Å; R77-L699 HydrophobicContact CG-CD2 3.85Å; R77-L699 VanDerWaalsContact CZ-CD2 3.47Å; R77-L699 CarbonylContact O-C 3.52Å; R77-L699 VanDerWaalsContact O-CA 3.32Å; R77-L699 WeakPolarHBondContact O-CA 3.23Å; R77-A700 PolarHBondContact O-N 2.84Å
78	R	92.3	Very high	73.9	Confident	88 Å²	88	91.3 Å²	91.3	33%	0.332	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-61.4	154.3	167.7	-64.7	-179.7	179	-108.9	14	111.1	A700 S764 S767	R78-A700 HydrophobicContact CG-CB 4.38Å; R78-S764 WeakPolarHBondContact CD-O 3.34Å; R78-S764 VanDerWaalsContact CG-O 3.22Å; R78-S764 WeakPolarHBondContact CG-O 3.27Å; R78-S764 PolarHBondContact NH1-O 3.24Å; R78-S767 PolarHBondContact NH1-OG 3.36Å
79	M	92.5	Very high	76.1	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-77.1	142.3	-174.2	-67.5	174.7	-176.3	0	0	112.1	I84 L699 I701 W760 Y761 S764 Q765	M79-I84 HydrophobicContact SD-CD1 4.45Å; M79-L699 HydrophobicContact CE-CB 3.91Å; M79-L699 HydrophobicContact CE-CD1 4.16Å; M79-L699 HydrophobicContact CG-CB 4.47Å; M79-L699 HydrophobicContact CG-CD1 4.4Å; M79-I701 HydrophobicContact CE-CB 4.21Å; M79-I701 HydrophobicContact CE-CG2 3.74Å; M79-W760 HydrophobicContact CE-CE3 3.78Å; M79-W760 HydrophobicContact CE-CZ3 4.26Å; M79-W760 HydrophobicContact SD-CB 4.09Å; M79-W760 HydrophobicContact SD-CE3 4.19Å; M79-Y761 WeakPolarHBondContact O-CD2 3.46Å; M79-S764 WeakPolarHBondContact CG-OG 3.37Å; M79-S764 PolarHBondContact N-OG 3.48Å; M79-S764 VanDerWaalsContact N-OG 3.08Å; M79-Q765 WeakPolarHBondContact O-CB 3.32Å; M79-Q765 PolarHBondContact O-OE1 3.49Å
80	L	91.7	Very high	78.4	Confident	77 Å²	77	79.3 Å²	79.3	40%	0.403	39%	0.394	S	S	.	.			trans	-104.2	156.9	176.4	-60.7	175.3	0	0	0	109.9	S82 D83	L80-S82 PolarHBondContact O-N 3.39Å; L80-S82 VanDerWaalsContact O-N 3.07Å; L80-D83 PolarHBondContact N-OD2 2.86Å; L80-D83 WeakPolarHBondContact O-CB 3.45Å; L80-D83 PolarHBondContact O-N 2.91Å
81	P	87.5	Confident	80.8	Confident	41 Å²	41	74.4 Å²	74.4	27%	0.266	37%	0.369	S	S	.	.	H	α-helix	trans	-56.9	-29.5	177.3	-25.1	35.1	0	0	0	113	D83 I84 L85 Y761	P81-D83 VanDerWaalsContact C-N 3.29Å; P81-D83 PolarHBondContact O-N 3.06Å; P81-I84 PolarHBondContact O-N 3.41Å; P81-L85 HydrophobicContact CB-CD1 4.38Å; P81-L85 WeakPolarHBondContact O-CB 3.23Å; P81-L85 WeakPolarHBondContact O-CD1 3.36Å; P81-L85 VanDerWaalsContact O-CG 3.27Å; P81-L85 WeakPolarHBondContact O-CG 3.41Å; P81-L85 PolarHBondContact O-N 3.29Å; P81-Y761 HydrophobicContact CG-CD2 4.37Å; P81-Y761 HydrophobicContact CG-CE2 3.67Å
82	S	89.5	Confident	83	Confident	75 Å²	75	79.6 Å²	79.6	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-23.7	174.6	53.1	0	0	0	0	114.6	L80 G86	L80-S82 PolarHBondContact O-N 3.39Å; L80-S82 VanDerWaalsContact O-N 3.07Å; S82-G86 WeakPolarHBondContact O-CA 3.43Å; S82-G86 PolarHBondContact O-N 3.08Å
83	D	91.2	Very high	84.8	Confident	19 Å²	19	77.5 Å²	77.5	10%	0.102	37%	0.369	C	S	.	.	H	α-helix	trans	-76.6	-31.1	177.4	-60.3	-44.9	0	0	0	111.6	R77 L80 P81 L89	R77-D83 IonicContact CZ-OD1 3.94Å; R77-D83 IonicContact CZ-OD2 3.7Å; R77-D83 IonicContact NH1-OD1 3.64Å; R77-D83 IonicContact NH1-OD2 3.11Å; R77-D83 PolarHBondContact NH1-OD2 3.22Å; R77-D83 VanDerWaalsContact NH2-CG 3.28Å; R77-D83 IonicContact NH2-OD1 2.74Å; R77-D83 PolarHBondContact NH2-OD1 2.89Å; R77-D83 IonicContact NH2-OD2 2.84Å; R77-D83 PolarHBondContact NH2-OD2 2.95Å; L80-D83 PolarHBondContact N-OD2 2.86Å; L80-D83 WeakPolarHBondContact O-CB 3.45Å; L80-D83 PolarHBondContact O-N 2.91Å; P81-D83 VanDerWaalsContact C-N 3.29Å; P81-D83 PolarHBondContact O-N 3.06Å; D83-L89 HydrophobicContact CB-CD1 3.91Å
84	I	91	Very high	86.5	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.062	34%	0.339	C	S	.	.	H	α-helix	trans	-84	-49.9	178.8	-53.1	-50.5	0	0	0	111.4	M79 P81 G86 V756 D757 W760	M79-I84 HydrophobicContact SD-CD1 4.45Å; P81-I84 PolarHBondContact O-N 3.41Å; I84-G86 PolarHBondContact O-N 3.01Å; I84-V756 HydrophobicContact CD1-CG1 3.63Å; I84-D757 WeakPolarHBondContact CD1-O 3.39Å; I84-W760 HydrophobicContact CD1-CB 4.49Å
85	L	88.4	Confident	87.4	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.335	35%	0.345	S	S	.	.	H	α-helix	trans	-69.1	-21.2	178	-64.1	166.8	0	0	0	111.9	P81 L941 Y945	P81-L85 HydrophobicContact CB-CD1 4.38Å; P81-L85 WeakPolarHBondContact O-CB 3.23Å; P81-L85 WeakPolarHBondContact O-CD1 3.36Å; P81-L85 VanDerWaalsContact O-CG 3.27Å; P81-L85 WeakPolarHBondContact O-CG 3.41Å; P81-L85 PolarHBondContact O-N 3.29Å; L85-L941 HydrophobicContact CD2-CB 4.35Å; L85-L941 HydrophobicContact CD2-CD2 3.98Å; L85-L941 HydrophobicContact CD2-CG 4.08Å; L85-Y945 HydrophobicContact CD2-CD2 4.03Å; L85-Y945 HydrophobicContact CD2-CE2 3.83Å
86	G	84.3	Confident	88.3	Confident	23 Å²	23	61.3 Å²	61.3	24%	0.237	31%	0.313	C	S	.	.	S	Bend	trans	-77.2	133	174.8	0	0	0	0	0	112.5	S82 I84 S88	S82-G86 WeakPolarHBondContact O-CA 3.43Å; S82-G86 PolarHBondContact O-N 3.08Å; I84-G86 PolarHBondContact O-N 3.01Å; G86-S88 PolarHBondContact O-N 2.74Å
87	R	82.3	Confident	88.5	Confident	230 Å²	230	62.2 Å²	62.2	87%	0.868	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	27.4	171.2	-59.2	-178.8	179.2	178.7	-1.5	113.3
88	S	85.4	Confident	88.4	Confident	46 Å²	46	58 Å²	58	32%	0.322	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-29.7	-172.8	54	0	0	0	0	113.6	G86 R695	G86-S88 PolarHBondContact O-N 2.74Å; S88-R695 PolarHBondContact O-NH1 3.26Å
89	L	90.8	Very high	88.2	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	29%	0.287	C	S	.	.	S	Bend	trans	-99.4	-11.4	172	-60.9	-176.1	0	0	0	113	D83 W91 L692 R695 L696 L699 V756	D83-L89 HydrophobicContact CB-CD1 3.91Å; L89-W91 PolarHBondContact O-N 2.92Å; L89-L692 HydrophobicContact CD2-CD1 4.37Å; L89-L692 VanDerWaalsContact O-CD1 3.26Å; L89-L692 WeakPolarHBondContact O-CD1 3.35Å; L89-R695 HydrophobicContact CD2-CB 3.82Å; L89-L696 HydrophobicContact CD2-CD2 4.35Å; L89-L699 HydrophobicContact CD1-CD1 3.59Å; L89-L699 HydrophobicContact CD2-CD1 4.08Å; L89-L699 HydrophobicContact CG-CD1 4.48Å; L89-V756 HydrophobicContact CB-CB 4.46Å; L89-V756 HydrophobicContact CB-CG1 4.19Å; L89-V756 HydrophobicContact CD1-CG1 4.07Å
90	Q	90.1	Very high	87.8	Confident	65 Å²	65	57.5 Å²	57.5	30%	0.304	30%	0.3	S	S	.	.	S	Bend	trans	-71.2	126.8	177.8	-61.3	-58.8	-14.8	0	0	111.3	V756	Q90-V756 PolarHBondContact NE2-O 3.22Å
91	W	90.3	Very high	87.6	Confident	43 Å²	43	54.3 Å²	54.3	16%	0.163	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.5	133.3	171.1	175.7	-114.6	0	0	0	110.3	L89 P670 V672 N687 L692	L89-W91 PolarHBondContact O-N 2.92Å; W91-P670 HydrophobicContact CB-CG 4.06Å; W91-P670 HydrophobicContact CD2-CB 3.49Å; W91-P670 VanDerWaalsContact CD2-CB 3.49Å; W91-P670 HydrophobicContact CD2-CG 3.99Å; W91-P670 HydrophobicContact CE3-CB 3.87Å; W91-P670 HydrophobicContact CE3-CG 4.47Å; W91-P670 HydrophobicContact CG-CB 3.8Å; W91-P670 HydrophobicContact CG-CG 3.78Å; W91-P670 HydrophobicContact CH2-CB 4.2Å; W91-P670 HydrophobicContact CZ2-CB 3.89Å; W91-P670 HydrophobicContact CZ3-CB 4.2Å; W91-V672 HydrophobicContact CH2-CG2 4.02Å; W91-V672 HydrophobicContact CZ2-CG2 3.64Å; W91-N687 HydrophobicContact CH2-CB 4.46Å; W91-N687 VanDerWaalsContact CH2-ND2 3.28Å; W91-N687 WeakPolarHBondContact CH2-ND2 3.44Å; W91-L692 HydrophobicContact CB-CD2 4.38Å; W91-L692 HydrophobicContact CE3-CD2 4.16Å
92	K	86.1	Confident	87.7	Confident	165 Å²	165	59.1 Å²	59.1	72%	0.717	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-92.6	117	168	-66.9	-172.3	178.3	-173.2	0	107.7
93	P	85.1	Confident	87.9	Confident	69 Å²	69	57.7 Å²	57.7	45%	0.448	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-54.2	153.3	176.4	-24.2	33.7	0	0	0	111.7	N95	P93-N95 PolarHBondContact O-N 2.85Å
94	F	87.6	Confident	88	Confident	29 Å²	29	56.8 Å²	56.8	13%	0.127	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.9	126.8	174.9	-176	-112.3	0	0	0	109.9	L104 Y106 V661 E663 V672 L686	F94-L104 HydrophobicContact CE1-CD1 4.29Å; F94-L104 HydrophobicContact CZ-CD1 4.45Å; F94-L104 HydrophobicContact CZ-CD2 4.13Å; F94-L104 HydrophobicContact CZ-CG 4.49Å; F94-Y106 HydrophobicContact CE2-CD2 4.42Å; F94-V661 HydrophobicContact CD1-CG1 3.94Å; F94-V661 HydrophobicContact CE1-CG1 4Å; F94-V661 HydrophobicContact CE1-CG2 4.21Å; F94-E663 VanDerWaalsContact CB-CD 3.45Å; F94-E663 HydrophobicContact CB-CG 3.78Å; F94-E663 WeakPolarHBondContact CB-OE2 3.49Å; F94-E663 PolarHBondContact N-OE2 3.21Å; F94-V672 HydrophobicContact CB-CG1 4.12Å; F94-V672 HydrophobicContact CB-CG2 4.14Å; F94-V672 HydrophobicContact CD2-CB 4.45Å; F94-V672 HydrophobicContact CD2-CG1 3.8Å; F94-V672 HydrophobicContact CD2-CG2 4.33Å; F94-V672 HydrophobicContact CE2-CG1 4.33Å; F94-V672 HydrophobicContact CG-CG1 3.9Å; F94-L686 HydrophobicContact CE2-CB 4.24Å; F94-L686 HydrophobicContact CE2-CD1 4.23Å; F94-L686 HydrophobicContact CZ-CD1 4.05Å
95	N	82.8	Confident	88.1	Confident	79 Å²	79	56.4 Å²	56.4	42%	0.422	28%	0.277	S	S	.	.			trans	-116.9	80	177.5	-169	3.6	0	0	0	108.4	P93	P93-N95 PolarHBondContact O-N 2.85Å
96	G	87.3	Confident	88.2	Confident	6 Å²	6	53.8 Å²	53.8	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.1	175.9	0	0	0	0	0	110.3	I105 Q652	G96-I105 CarbonylContact C-O 3.54Å; G96-I105 WeakPolarHBondContact CA-O 3.41Å; G96-Q652 PolarHBondContact O-OE1 3.41Å
97	T	90.4	Very high	88.4	Confident	60 Å²	60	55.9 Å²	55.9	37%	0.368	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.3	-174	51.4	0	0	0	0	111.3	S99 I105	T97-S99 PolarHBondContact O-N 2.84Å; T97-I105 PolarHBondContact N-O 3.3Å; T97-I105 WeakPolarHBondContact O-CB 3.46Å; T97-I105 PolarHBondContact O-N 2.78Å
98	W	90.3	Very high	88.4	Confident	21 Å²	21	45.7 Å²	45.7	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.2	174.8	-69	102.9	0	0	0	111.1	L104 M118 Q652 F653 Y659 V661 L674	W98-L104 HydrophobicContact CD2-CB 4.41Å; W98-L104 HydrophobicContact CD2-CD1 4.02Å; W98-L104 HydrophobicContact CE3-CB 4.02Å; W98-L104 HydrophobicContact CE3-CD1 4.47Å; W98-L104 HydrophobicContact CG-CD1 4.24Å; W98-L104 HydrophobicContact CH2-CB 4.41Å; W98-L104 HydrophobicContact CZ3-CB 4.03Å; W98-M118 HydrophobicContact CH2-CE 3.54Å; W98-M118 HydrophobicContact CH2-CG 4.13Å; W98-M118 HydrophobicContact CZ3-CE 3.6Å; W98-M118 HydrophobicContact CZ3-CG 3.99Å; W98-Q652 PolarHBondContact NE1-O 2.92Å; W98-F653 PolarHBondContact NE1-O 2.67Å; W98-Y659 HydrophobicContact CH2-CG 4.28Å; W98-V661 HydrophobicContact CZ2-CG2 4.08Å; W98-L674 HydrophobicContact CH2-CD1 3.73Å; W98-L674 HydrophobicContact CZ2-CD1 3.9Å
99	S	86.8	Confident	88.1	Confident	28 Å²	28	49.4 Å²	49.4	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	-79.2	-30.3	173.6	-170.7	0	0	0	0	112.3	T97 E103 Q146 Q655	T97-S99 PolarHBondContact O-N 2.84Å; S99-E103 PolarHBondContact N-O 2.88Å; S99-Q146 PolarHBondContact OG-NE2 2.88Å; S99-Q655 VanDerWaalsContact C-NE2 3.35Å; S99-Q655 PolarHBondContact O-NE2 3.01Å; S99-Q655 VanDerWaalsContact O-NE2 3.07Å
100	N	85.8	Confident	87.7	Confident	51 Å²	51	54.2 Å²	54.2	27%	0.273	28%	0.279	S	S	.	.	S	Bend	trans	-160.6	-165.7	176.6	55.9	59.8	0	0	0	108.8	R102 E103	N100-R102 PolarHBondContact O-N 2.71Å; N100-R102 PolarHBondContact OD1-N 2.91Å; N100-E103 PolarHBondContact ND2-OE2 2.79Å; N100-E103 PolarHBondContact OD1-N 2.75Å
101	G	86.9	Confident	87.2	Confident	9 Å²	9	51.9 Å²	51.9	9%	0.093	27%	0.272	C	S	.	.	S	Bend	trans	-60.7	-23.3	177.9	0	0	0	0	0	115.8	S654 D656 S658	G101-S654 VanDerWaalsContact O-CB 3.27Å; G101-S654 WeakPolarHBondContact O-CB 3.32Å; G101-D656 VanDerWaalsContact CA-OD1 3.25Å; G101-D656 WeakPolarHBondContact CA-OD1 3.33Å; G101-D656 WeakPolarHBondContact CA-OD2 3.35Å; G101-S658 PolarHBondContact O-OG 3.48Å
102	R	90.2	Very high	87.1	Confident	142 Å²	142	49.9 Å²	49.9	54%	0.536	26%	0.264	S	S	.	.	S	Bend	trans	-131.8	0.7	-168.9	-60.3	-175.6	-178.3	-165.8	-3.1	115.3	N100 N117 M118	N100-R102 PolarHBondContact O-N 2.71Å; N100-R102 PolarHBondContact OD1-N 2.91Å; R102-N117 WeakPolarHBondContact O-CA 3.35Å; R102-M118 WeakPolarHBondContact O-CG 3.23Å; R102-M118 PolarHBondContact O-N 3.33Å
103	E	92.4	Very high	87.3	Confident	45 Å²	45	42 Å²	42	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.7	179.7	-72.6	-173.7	132.3	0	0	111.2	S99 N100 I115 L116 Q146	S99-E103 PolarHBondContact N-O 2.88Å; N100-E103 PolarHBondContact ND2-OE2 2.79Å; N100-E103 PolarHBondContact OD1-N 2.75Å; E103-I115 HydrophobicContact CB-CG2 3.65Å; E103-I115 HydrophobicContact CG-CG2 3.97Å; E103-L116 WeakPolarHBondContact CA-O 3.46Å; E103-Q146 PolarHBondContact OE2-NE2 3.36Å
104	L	93.6	Very high	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.2	176.5	178.1	63.7	0	0	0	109.7	F94 W98 I115 L116 M118 V661 L686	F94-L104 HydrophobicContact CE1-CD1 4.29Å; F94-L104 HydrophobicContact CZ-CD1 4.45Å; F94-L104 HydrophobicContact CZ-CD2 4.13Å; F94-L104 HydrophobicContact CZ-CG 4.49Å; W98-L104 HydrophobicContact CD2-CB 4.41Å; W98-L104 HydrophobicContact CD2-CD1 4.02Å; W98-L104 HydrophobicContact CE3-CB 4.02Å; W98-L104 HydrophobicContact CE3-CD1 4.47Å; W98-L104 HydrophobicContact CG-CD1 4.24Å; W98-L104 HydrophobicContact CH2-CB 4.41Å; W98-L104 HydrophobicContact CZ3-CB 4.03Å; L104-I115 CarbonylContact O-C 3.6Å; L104-I115 WeakPolarHBondContact O-CA 3.34Å; L104-L116 PolarHBondContact N-O 2.7Å; L104-L116 PolarHBondContact O-N 2.88Å; L104-M118 HydrophobicContact CB-CE 3.3Å; L104-M118 HydrophobicContact CD2-CE 3.94Å; L104-M118 HydrophobicContact CG-CE 4.28Å; L104-V661 HydrophobicContact CD1-CG2 4.09Å; L104-V661 HydrophobicContact CD2-CG2 3.7Å; L104-L686 HydrophobicContact CD2-CD1 3.73Å; L104-L686 HydrophobicContact CD2-CD2 3.96Å
105	I	92.8	Very high	87.9	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.9	172.5	-52.7	-175.4	0	0	0	107.9	G96 T97 L113 S114 I115 L126 F140 V142	G96-I105 CarbonylContact C-O 3.54Å; G96-I105 WeakPolarHBondContact CA-O 3.41Å; T97-I105 PolarHBondContact N-O 3.3Å; T97-I105 WeakPolarHBondContact O-CB 3.46Å; T97-I105 PolarHBondContact O-N 2.78Å; I105-L113 HydrophobicContact CG2-CD1 3.83Å; I105-L113 HydrophobicContact CG2-CG 4.27Å; I105-S114 WeakPolarHBondContact CA-O 3.31Å; I105-I115 HydrophobicContact CD1-CD1 4.49Å; I105-I115 HydrophobicContact CG1-CD1 4.19Å; I105-I115 HydrophobicContact CG1-CG1 4.13Å; I105-L126 HydrophobicContact CG2-CD1 4.22Å; I105-F140 HydrophobicContact CG2-CE2 4.37Å; I105-V142 HydrophobicContact CD1-CB 3.72Å; I105-V142 HydrophobicContact CD1-CG1 3.88Å; I105-V142 HydrophobicContact CD1-CG2 3.93Å; I105-V142 HydrophobicContact CG2-CG2 3.84Å
106	Y	92.2	Very high	88.4	Confident	9 Å²	9	33.9 Å²	33.9	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.8	-179.1	77.8	-65.3	0	0	0	113.3	F94 D108 S114 L116 L686	F94-Y106 HydrophobicContact CE2-CD2 4.42Å; Y106-D108 HydrophobicContact CE2-CB 4.34Å; Y106-D108 PolarHBondContact O-N 3.39Å; Y106-S114 WeakPolarHBondContact CD1-O 3.15Å; Y106-S114 PolarHBondContact N-O 3.05Å; Y106-S114 PolarHBondContact O-N 3.14Å; Y106-L116 HydrophobicContact CD1-CB 4.33Å; Y106-L116 HydrophobicContact CE1-CB 3.85Å; Y106-L686 HydrophobicContact CD2-CD2 4.34Å; Y106-L686 HydrophobicContact CE2-CD2 4.34Å
107	R	87.6	Confident	88.6	Confident	67 Å²	67	35.6 Å²	35.6	25%	0.253	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	110.3	171.2	-61.9	-73.5	-83.1	145	-3.7	108.9	G111 G112 F140	R107-G111 PolarHBondContact NH1-O 3.1Å; R107-G111 PolarHBondContact NH2-O 3.06Å; R107-G112 WeakPolarHBondContact CA-O 3.4Å; R107-G112 PolarHBondContact NH1-O 3.49Å; R107-F140 VanDerWaalsContact CD-CE1 3.5Å; R107-F140 HydrophobicContact CG-CE1 3.6Å; R107-F140 HydrophobicContact CG-CZ 4.08Å
108	D	82.7	Confident	88.6	Confident	15 Å²	15	33.1 Å²	33.1	8%	0.08	18%	0.177	C	C	.	.			trans	-72.2	164.3	-178.6	61.2	67	0	0	0	112.9	Y106 T110 G111 G112 L113 S114	Y106-D108 HydrophobicContact CE2-CB 4.34Å; Y106-D108 PolarHBondContact O-N 3.39Å; D108-T110 PolarHBondContact O-N 2.88Å; D108-T110 VanDerWaalsContact O-N 3.09Å; D108-T110 WeakPolarHBondContact OD1-CA 3.45Å; D108-T110 WeakPolarHBondContact OD1-CB 3.4Å; D108-T110 PolarHBondContact OD1-N 2.98Å; D108-T110 PolarHBondContact OD1-OG1 3.34Å; D108-G111 WeakPolarHBondContact O-CA 3.33Å; D108-G111 PolarHBondContact O-N 3.42Å; D108-G111 PolarHBondContact OD1-N 3.37Å; D108-G112 PolarHBondContact N-O 2.83Å; D108-G112 PolarHBondContact OD1-N 2.82Å; D108-G112 WeakPolarHBondContact OD2-CA 3.44Å; D108-G112 PolarHBondContact OD2-N 3.01Å; D108-L113 PolarHBondContact OD2-N 3.07Å; D108-S114 PolarHBondContact OD2-OG 2.71Å
109	P	78.5	Confident	88.3	Confident	124 Å²	124	35.5 Å²	35.5	81%	0.805	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.4	-179.2	-26.6	36.4	0	0	0	115.1	G111	P109-G111 PolarHBondContact O-N 2.9Å
110	T	82.4	Confident	88.3	Confident	107 Å²	107	38.5 Å²	38.5	66%	0.656	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10	174.1	82.6	0	0	0	0	112.3	D108 G112 N129	D108-T110 PolarHBondContact O-N 2.88Å; D108-T110 VanDerWaalsContact O-N 3.09Å; D108-T110 WeakPolarHBondContact OD1-CA 3.45Å; D108-T110 WeakPolarHBondContact OD1-CB 3.4Å; D108-T110 PolarHBondContact OD1-N 2.98Å; D108-T110 PolarHBondContact OD1-OG1 3.34Å; T110-G112 PolarHBondContact OG1-N 3.01Å; T110-N129 PolarHBondContact O-ND2 2.79Å
111	G	80.4	Confident	88.2	Confident	16 Å²	16	38.2 Å²	38.2	17%	0.165	21%	0.213	C	C	.	.	S	Bend	trans	80.7	20.2	-172	0	0	0	0	0	113.6	R107 D108 P109 N129	R107-G111 PolarHBondContact NH1-O 3.1Å; R107-G111 PolarHBondContact NH2-O 3.06Å; D108-G111 WeakPolarHBondContact O-CA 3.33Å; D108-G111 PolarHBondContact O-N 3.42Å; D108-G111 PolarHBondContact OD1-N 3.37Å; P109-G111 PolarHBondContact O-N 2.9Å; G111-N129 WeakPolarHBondContact O-CA 3.49Å; G111-N129 VanDerWaalsContact O-CB 3.27Å; G111-N129 WeakPolarHBondContact O-CB 3.03Å; G111-N129 VanDerWaalsContact O-CG 3.27Å; G111-N129 PolarHBondContact O-OD1 3.37Å
112	G	87.3	Confident	88.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.			trans	-81.9	-170.4	167.3	0	0	0	0	0	112.5	R107 D108 T110 M127	R107-G112 WeakPolarHBondContact CA-O 3.4Å; R107-G112 PolarHBondContact NH1-O 3.49Å; D108-G112 PolarHBondContact N-O 2.83Å; D108-G112 PolarHBondContact OD1-N 2.82Å; D108-G112 WeakPolarHBondContact OD2-CA 3.44Å; D108-G112 PolarHBondContact OD2-N 3.01Å; T110-G112 PolarHBondContact OG1-N 3.01Å; G112-M127 CarbonylContact C-O 3.59Å; G112-M127 WeakPolarHBondContact CA-O 3.29Å
113	L	91.5	Very high	88.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.6	169.4	-177.4	68.7	0	0	0	107.5	I105 D108 L126 M127 F140 V142 V149	I105-L113 HydrophobicContact CG2-CD1 3.83Å; I105-L113 HydrophobicContact CG2-CG 4.27Å; D108-L113 PolarHBondContact OD2-N 3.07Å; L113-L126 HydrophobicContact CD2-CB 4.38Å; L113-L126 HydrophobicContact CD2-CD1 4.21Å; L113-L126 HydrophobicContact CG-CB 4.39Å; L113-L126 HydrophobicContact CG-CD1 4.3Å; L113-L126 PolarHBondContact O-N 3.5Å; L113-M127 HydrophobicContact CB-CB 4.01Å; L113-M127 PolarHBondContact N-O 3.31Å; L113-M127 PolarHBondContact O-N 2.91Å; L113-M127 VanDerWaalsContact O-N 3.13Å; L113-F140 HydrophobicContact CD1-CD1 4.45Å; L113-F140 HydrophobicContact CD1-CD2 3.72Å; L113-F140 HydrophobicContact CD1-CE1 4.11Å; L113-F140 HydrophobicContact CD1-CE2 3.31Å; L113-F140 HydrophobicContact CD1-CG 4.29Å; L113-F140 HydrophobicContact CD1-CZ 3.53Å; L113-F140 HydrophobicContact CD2-CD2 3.87Å; L113-F140 HydrophobicContact CD2-CE2 4.27Å; L113-F140 HydrophobicContact CD2-CG 4.4Å; L113-F140 HydrophobicContact CG-CD2 4.48Å; L113-F140 HydrophobicContact CG-CE2 4.44Å; L113-V142 HydrophobicContact CD2-CG2 3.85Å; L113-V149 HydrophobicContact CD2-CG1 3.84Å; L113-V149 HydrophobicContact CD2-CG2 4.03Å
114	S	92.1	Very high	88.2	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.5	-171.7	-66	0	0	0	0	111.2	I105 Y106 D108 R124	I105-S114 WeakPolarHBondContact CA-O 3.31Å; Y106-S114 WeakPolarHBondContact CD1-O 3.15Å; Y106-S114 PolarHBondContact N-O 3.05Å; Y106-S114 PolarHBondContact O-N 3.14Å; D108-S114 PolarHBondContact OD2-OG 2.71Å; S114-R124 CarbonylContact C-O 3.58Å; S114-R124 WeakPolarHBondContact CA-O 3.31Å
115	I	92.8	Very high	88	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131	168.5	-48.8	-163.1	0	0	0	108.6	E103 L104 I105 T123 R124 L126 Q146	E103-I115 HydrophobicContact CB-CG2 3.65Å; E103-I115 HydrophobicContact CG-CG2 3.97Å; L104-I115 CarbonylContact O-C 3.6Å; L104-I115 WeakPolarHBondContact O-CA 3.34Å; I105-I115 HydrophobicContact CD1-CD1 4.49Å; I105-I115 HydrophobicContact CG1-CD1 4.19Å; I105-I115 HydrophobicContact CG1-CG1 4.13Å; I115-T123 CarbonylContact O-C 3.55Å; I115-T123 VanDerWaalsContact O-CA 3.26Å; I115-T123 WeakPolarHBondContact O-CA 3.42Å; I115-R124 PolarHBondContact N-O 3.22Å; I115-R124 PolarHBondContact O-N 2.92Å; I115-L126 HydrophobicContact CD1-CD1 4.04Å; I115-L126 HydrophobicContact CD1-CD2 4.03Å; I115-L126 HydrophobicContact CD1-CG 4.29Å; I115-L126 HydrophobicContact CG1-CD1 3.76Å; I115-L126 HydrophobicContact CG1-CD2 4.06Å; I115-L126 HydrophobicContact CG1-CG 3.85Å; I115-Q146 VanDerWaalsContact CD1-CD 3.47Å; I115-Q146 HydrophobicContact CD1-CG 4.2Å; I115-Q146 VanDerWaalsContact CD1-OE1 3.27Å
116	L	92.1	Very high	87.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.2	165.8	176.8	62.5	0	0	0	109.3	E103 L104 Y106 M118 L121 T123 L674 Y684 L686	E103-L116 WeakPolarHBondContact CA-O 3.46Å; L104-L116 PolarHBondContact N-O 2.7Å; L104-L116 PolarHBondContact O-N 2.88Å; Y106-L116 HydrophobicContact CD1-CB 4.33Å; Y106-L116 HydrophobicContact CE1-CB 3.85Å; L116-M118 HydrophobicContact CB-CE 4.34Å; L116-M118 HydrophobicContact CD2-CE 3.97Å; L116-M118 HydrophobicContact CD2-SD 4Å; L116-M118 HydrophobicContact CG-CE 4.01Å; L116-M118 HydrophobicContact CG-SD 3.84Å; L116-L121 HydrophobicContact CD1-CB 4.5Å; L116-L121 HydrophobicContact CD1-CD2 4.46Å; L116-T123 HydrophobicContact CB-CG2 4.4Å; L116-T123 HydrophobicContact CD1-CG2 3.81Å; L116-L674 HydrophobicContact CD2-CD2 4.39Å; L116-Y684 HydrophobicContact CD2-CD1 4.04Å; L116-Y684 HydrophobicContact CD2-CE1 4.11Å; L116-Y684 HydrophobicContact CD2-CG 4.48Å; L116-L686 HydrophobicContact CD2-CD2 4.05Å
117	N	92	Very high	87.8	Confident	42 Å²	42	46 Å²	46	23%	0.225	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.4	176.5	177.6	3.7	0	0	0	110.6	R102 A119 D120 L121 T122	R102-N117 WeakPolarHBondContact O-CA 3.35Å; N117-A119 VanDerWaalsContact C-N 3.26Å; N117-A119 PolarHBondContact O-N 3.44Å; N117-A119 WeakPolarHBondContact OD1-CB 3.5Å; N117-A119 PolarHBondContact OD1-N 2.88Å; N117-D120 PolarHBondContact ND2-OD1 2.86Å; N117-L121 WeakPolarHBondContact O-CA 3.34Å; N117-L121 PolarHBondContact O-N 3.34Å; N117-T122 PolarHBondContact N-O 3.02Å
118	M	89.7	Confident	87.8	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.044	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5	-176.1	-50.5	-39.6	173.3	0	0	114.2	W98 R102 L104 L116 L121 Y659 L674	W98-M118 HydrophobicContact CH2-CE 3.54Å; W98-M118 HydrophobicContact CH2-CG 4.13Å; W98-M118 HydrophobicContact CZ3-CE 3.6Å; W98-M118 HydrophobicContact CZ3-CG 3.99Å; R102-M118 WeakPolarHBondContact O-CG 3.23Å; R102-M118 PolarHBondContact O-N 3.33Å; L104-M118 HydrophobicContact CB-CE 3.3Å; L104-M118 HydrophobicContact CD2-CE 3.94Å; L104-M118 HydrophobicContact CG-CE 4.28Å; L116-M118 HydrophobicContact CB-CE 4.34Å; L116-M118 HydrophobicContact CD2-CE 3.97Å; L116-M118 HydrophobicContact CD2-SD 4Å; L116-M118 HydrophobicContact CG-CE 4.01Å; L116-M118 HydrophobicContact CG-SD 3.84Å; M118-L121 HydrophobicContact SD-CD2 4.37Å; M118-Y659 HydrophobicContact CB-CD2 3.93Å; M118-Y659 HydrophobicContact CB-CE1 4.37Å; M118-Y659 HydrophobicContact CB-CE2 3.48Å; M118-Y659 VanDerWaalsContact CB-CE2 3.48Å; M118-Y659 HydrophobicContact CG-CD2 3.94Å; M118-Y659 HydrophobicContact CG-CE2 4.04Å; M118-Y659 HydrophobicContact CG-CG 4.31Å; M118-L674 HydrophobicContact CE-CD1 3.84Å; M118-L674 HydrophobicContact CE-CD2 3.77Å; M118-L674 HydrophobicContact CE-CG 4.47Å; M118-L674 HydrophobicContact CG-CD2 4.47Å; M118-L674 HydrophobicContact SD-CD1 4.34Å; M118-L674 HydrophobicContact SD-CD2 3.36Å; M118-L674 WeakPolarHBondContact SD-CD2 3.47Å; M118-L674 HydrophobicContact SD-CG 4.49Å
119	A	85.6	Confident	88.1	Confident	70 Å²	70	46.5 Å²	46.5	58%	0.579	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-27	176.7	0	0	0	0	0	113.6	N117	N117-A119 VanDerWaalsContact C-N 3.26Å; N117-A119 PolarHBondContact O-N 3.44Å; N117-A119 WeakPolarHBondContact OD1-CB 3.5Å; N117-A119 PolarHBondContact OD1-N 2.88Å
120	D	85.3	Confident	88.4	Confident	92 Å²	92	44.3 Å²	44.3	49%	0.492	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-0.9	-176.3	58.6	19.7	0	0	0	114	N117 T122	N117-D120 PolarHBondContact ND2-OD1 2.86Å; D120-T122 HydrophobicContact CB-CG2 4.14Å; D120-T122 VanDerWaalsContact CG-OG1 3.25Å; D120-T122 PolarHBondContact O-N 2.96Å; D120-T122 VanDerWaalsContact OD1-CB 3.31Å; D120-T122 WeakPolarHBondContact OD1-CB 3.37Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.44Å; D120-T122 PolarHBondContact OD1-N 2.9Å; D120-T122 PolarHBondContact OD1-OG1 3.13Å; D120-T122 PolarHBondContact OD2-OG1 3.49Å
121	L	84.7	Confident	88.4	Confident	44 Å²	44	40.3 Å²	40.3	23%	0.23	24%	0.235	C	C	.	.			trans	55.9	24.6	-174.3	-59.7	174.9	0	0	0	114	L116 N117 M118 H615 L674	L116-L121 HydrophobicContact CD1-CB 4.5Å; L116-L121 HydrophobicContact CD1-CD2 4.46Å; N117-L121 WeakPolarHBondContact O-CA 3.34Å; N117-L121 PolarHBondContact O-N 3.34Å; M118-L121 HydrophobicContact SD-CD2 4.37Å; L121-H615 HydrophobicContact CD1-CB 3.95Å; L121-L674 HydrophobicContact CD2-CD2 4.49Å
122	T	88.6	Confident	88.5	Confident	75 Å²	75	40.4 Å²	40.4	46%	0.46	23%	0.231	S	C	.	.			trans	-81.1	150.8	174.1	65.2	0	0	0	0	111.9	N117 D120	N117-T122 PolarHBondContact N-O 3.02Å; D120-T122 HydrophobicContact CB-CG2 4.14Å; D120-T122 VanDerWaalsContact CG-OG1 3.25Å; D120-T122 PolarHBondContact O-N 2.96Å; D120-T122 VanDerWaalsContact OD1-CB 3.31Å; D120-T122 WeakPolarHBondContact OD1-CB 3.37Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.44Å; D120-T122 PolarHBondContact OD1-N 2.9Å; D120-T122 PolarHBondContact OD1-OG1 3.13Å; D120-T122 PolarHBondContact OD2-OG1 3.49Å
123	T	89.1	Confident	88.4	Confident	77 Å²	77	48.8 Å²	48.8	47%	0.472	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.8	178.8	50.7	0	0	0	0	112.2	I115 L116	I115-T123 CarbonylContact O-C 3.55Å; I115-T123 VanDerWaalsContact O-CA 3.26Å; I115-T123 WeakPolarHBondContact O-CA 3.42Å; L116-T123 HydrophobicContact CB-CG2 4.4Å; L116-T123 HydrophobicContact CD1-CG2 3.81Å
124	R	90.9	Very high	88.1	Confident	105 Å²	105	56.4 Å²	56.4	40%	0.396	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.5	176.9	-174.9	174.5	75.7	83.4	-10.3	110	S114 I115 L126	S114-R124 CarbonylContact C-O 3.58Å; S114-R124 WeakPolarHBondContact CA-O 3.31Å; I115-R124 PolarHBondContact N-O 3.22Å; I115-R124 PolarHBondContact O-N 2.92Å; R124-L126 VanDerWaalsContact NH1-CD2 3.34Å; R124-L126 PolarHBondContact O-N 3.45Å
125	I	90.3	Very high	87.4	Confident	108 Å²	108	58 Å²	58	55%	0.554	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.4	177	-55.9	174.3	0	0	0	109.7
126	L	90.3	Very high	87.1	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-38.3	169.4	-63.1	179.6	0	0	0	112	I105 L113 I115 R124 V142 V167	I105-L126 HydrophobicContact CG2-CD1 4.22Å; L113-L126 HydrophobicContact CD2-CB 4.38Å; L113-L126 HydrophobicContact CD2-CD1 4.21Å; L113-L126 HydrophobicContact CG-CB 4.39Å; L113-L126 HydrophobicContact CG-CD1 4.3Å; L113-L126 PolarHBondContact O-N 3.5Å; I115-L126 HydrophobicContact CD1-CD1 4.04Å; I115-L126 HydrophobicContact CD1-CD2 4.03Å; I115-L126 HydrophobicContact CD1-CG 4.29Å; I115-L126 HydrophobicContact CG1-CD1 3.76Å; I115-L126 HydrophobicContact CG1-CD2 4.06Å; I115-L126 HydrophobicContact CG1-CG 3.85Å; R124-L126 VanDerWaalsContact NH1-CD2 3.34Å; R124-L126 PolarHBondContact O-N 3.45Å; L126-V142 HydrophobicContact CD1-CG1 4.21Å; L126-V142 HydrophobicContact CD1-CG2 4.17Å; L126-V167 HydrophobicContact CD2-CG1 4.11Å
127	M	89.8	Confident	86.8	Confident	3 Å²	3	64 Å²	64	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	141.7	-173.1	-167.5	-167.6	-177.1	0	0	110.6	G112 L113 T131 F132 L151 Y165	G112-M127 CarbonylContact C-O 3.59Å; G112-M127 WeakPolarHBondContact CA-O 3.29Å; L113-M127 HydrophobicContact CB-CB 4.01Å; L113-M127 PolarHBondContact N-O 3.31Å; L113-M127 PolarHBondContact O-N 2.91Å; L113-M127 VanDerWaalsContact O-N 3.13Å; M127-T131 HydrophobicContact CE-CG2 3.57Å; M127-F132 HydrophobicContact CE-CB 4.17Å; M127-F132 HydrophobicContact CE-CD2 4.45Å; M127-F132 HydrophobicContact SD-CB 4.46Å; M127-F132 HydrophobicContact SD-CD2 4.12Å; M127-L151 HydrophobicContact CE-CD1 3.38Å; M127-L151 HydrophobicContact CE-CD2 3.99Å; M127-L151 HydrophobicContact CE-CG 4.33Å; M127-L151 HydrophobicContact SD-CD1 4.11Å; M127-L151 HydrophobicContact SD-CD2 3.81Å; M127-Y165 HydrophobicContact CB-CE1 4.05Å; M127-Y165 HydrophobicContact CG-CD1 4.25Å; M127-Y165 HydrophobicContact CG-CE1 3.89Å
128	T	88.6	Confident	86.5	Confident	60 Å²	60	67.2 Å²	67.2	37%	0.368	35%	0.354	S	S	.	.			trans	-90.1	156.1	-179.7	60.3	0	0	0	0	112.5	S130 T131 F132	T128-S130 PolarHBondContact O-N 3.22Å; T128-S130 PolarHBondContact OG1-OG 2.62Å; T128-T131 PolarHBondContact O-N 3.11Å; T128-T131 PolarHBondContact OG1-OG1 2.94Å; T128-F132 PolarHBondContact O-N 3.47Å
129	N	88.1	Confident	86.4	Confident	33 Å²	33	68.4 Å²	68.4	18%	0.176	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-33.7	175.9	-164.1	-8.9	0	0	0	112.3	T110 G111 F132 R133	T110-N129 PolarHBondContact O-ND2 2.79Å; G111-N129 WeakPolarHBondContact O-CA 3.49Å; G111-N129 VanDerWaalsContact O-CB 3.27Å; G111-N129 WeakPolarHBondContact O-CB 3.03Å; G111-N129 VanDerWaalsContact O-CG 3.27Å; G111-N129 PolarHBondContact O-OD1 3.37Å; N129-F132 PolarHBondContact O-N 2.97Å; N129-R133 PolarHBondContact ND2-NH2 3.22Å; N129-R133 WeakPolarHBondContact O-CB 3.25Å; N129-R133 VanDerWaalsContact O-CG 3.29Å; N129-R133 WeakPolarHBondContact O-CG 3.4Å; N129-R133 PolarHBondContact O-N 2.89Å; N129-R133 WeakPolarHBondContact OD1-CG 3.26Å; N129-R133 PolarHBondContact OD1-NE 2.78Å
130	S	85.5	Confident	86.6	Confident	79 Å²	79	65.5 Å²	65.5	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-59.9	-48.6	176.8	37.1	0	0	0	0	112.5	T128 F132 R133 Q134	T128-S130 PolarHBondContact O-N 3.22Å; T128-S130 PolarHBondContact OG1-OG 2.62Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 2.67Å; S130-R133 PolarHBondContact O-N 3.44Å; S130-Q134 WeakPolarHBondContact O-CB 3.4Å; S130-Q134 PolarHBondContact O-N 2.82Å
131	T	80.9	Confident	86.7	Confident	23 Å²	23	65 Å²	65	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-36.4	178.2	-46.6	0	0	0	0	111.2	M127 T128 R133 Q134 L135 Y165	M127-T131 HydrophobicContact CE-CG2 3.57Å; T128-T131 PolarHBondContact O-N 3.11Å; T128-T131 PolarHBondContact OG1-OG1 2.94Å; T131-R133 PolarHBondContact O-N 3.11Å; T131-Q134 PolarHBondContact O-N 3.3Å; T131-L135 PolarHBondContact O-N 3.43Å; T131-Y165 HydrophobicContact CG2-CD2 4.16Å; T131-Y165 HydrophobicContact CG2-CE2 3.86Å
132	F	83.4	Confident	87	Confident	18 Å²	18	64 Å²	64	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-39.1	177.8	-165.7	-84.3	0	0	0	111.9	M127 T128 N129 S130 N136 A137 F140 L151	M127-F132 HydrophobicContact CE-CB 4.17Å; M127-F132 HydrophobicContact CE-CD2 4.45Å; M127-F132 HydrophobicContact SD-CB 4.46Å; M127-F132 HydrophobicContact SD-CD2 4.12Å; T128-F132 PolarHBondContact O-N 3.47Å; N129-F132 PolarHBondContact O-N 2.97Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 2.67Å; F132-N136 PolarHBondContact O-N 3.34Å; F132-A137 HydrophobicContact CD1-CB 4.04Å; F132-A137 HydrophobicContact CD2-CB 3.98Å; F132-A137 HydrophobicContact CE1-CB 3.81Å; F132-A137 WeakPolarHBondContact CE1-O 3.31Å; F132-A137 HydrophobicContact CE2-CB 3.74Å; F132-A137 HydrophobicContact CG-CB 4.12Å; F132-A137 HydrophobicContact CZ-CB 3.65Å; F132-A137 PolarHBondContact O-N 3.31Å; F132-A137 VanDerWaalsContact O-N 3.08Å; F132-F140 HydrophobicContact CE2-CD1 4.37Å; F132-L151 HydrophobicContact CD2-CD2 4.26Å; F132-L151 HydrophobicContact CE2-CD2 4.28Å
133	R	85.4	Confident	87.1	Confident	176 Å²	176	60.4 Å²	60.4	66%	0.664	31%	0.308	S	S	*	.	H	α-helix	trans	-71.8	-37	173.3	-70.7	173.7	-173.2	-151.4	-0.1	113	N129 S130 T131 L135 N136	N129-R133 PolarHBondContact ND2-NH2 3.22Å; N129-R133 WeakPolarHBondContact O-CB 3.25Å; N129-R133 VanDerWaalsContact O-CG 3.29Å; N129-R133 WeakPolarHBondContact O-CG 3.4Å; N129-R133 PolarHBondContact O-N 2.89Å; N129-R133 WeakPolarHBondContact OD1-CG 3.26Å; N129-R133 PolarHBondContact OD1-NE 2.78Å; S130-R133 PolarHBondContact O-N 3.44Å; T131-R133 PolarHBondContact O-N 3.11Å; R133-L135 VanDerWaalsContact C-N 3.26Å; R133-L135 PolarHBondContact O-N 3.28Å; R133-N136 PolarHBondContact O-N 2.82Å
134	Q	85.1	Confident	86.9	Confident	161 Å²	161	59 Å²	59	75%	0.752	30%	0.3	S	S	*	.	H	α-helix	trans	-59.5	-36.3	-179.6	-178.5	179.7	-8	0	0	112.5	S130 T131	S130-Q134 WeakPolarHBondContact O-CB 3.4Å; S130-Q134 PolarHBondContact O-N 2.82Å; T131-Q134 PolarHBondContact O-N 3.3Å
135	L	78.2	Confident	86.7	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.188	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.5	175.7	-67.3	171.7	0	0	0	113.7	T131 R133 A137 L151 S153 T172	T131-L135 PolarHBondContact O-N 3.43Å; R133-L135 VanDerWaalsContact C-N 3.26Å; R133-L135 PolarHBondContact O-N 3.28Å; L135-A137 PolarHBondContact O-N 2.77Å; L135-L151 HydrophobicContact CD1-CD1 3.49Å; L135-L151 VanDerWaalsContact CD1-CD1 3.49Å; L135-S153 VanDerWaalsContact O-CB 3.27Å; L135-S153 WeakPolarHBondContact O-CB 3.19Å; L135-S153 PolarHBondContact O-OG 3.18Å; L135-T172 HydrophobicContact CD1-CG2 3.91Å
136	N	85.7	Confident	86.7	Confident	117 Å²	117	51.8 Å²	51.8	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.2	47.6	-171	-167.1	49.1	0	0	0	112.8	F132 R133 S153	F132-N136 PolarHBondContact O-N 3.34Å; R133-N136 PolarHBondContact O-N 2.82Å; N136-S153 VanDerWaalsContact O-CB 3.28Å; N136-S153 WeakPolarHBondContact O-CB 3.43Å
137	A	85.6	Confident	86.7	Confident	12 Å²	12	55.5 Å²	55.5	10%	0.099	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.2	-175.2	0	0	0	0	0	111.9	F132 L135 L151 Q152	F132-A137 HydrophobicContact CD1-CB 4.04Å; F132-A137 HydrophobicContact CD2-CB 3.98Å; F132-A137 HydrophobicContact CE1-CB 3.81Å; F132-A137 WeakPolarHBondContact CE1-O 3.31Å; F132-A137 HydrophobicContact CE2-CB 3.74Å; F132-A137 HydrophobicContact CG-CB 4.12Å; F132-A137 HydrophobicContact CZ-CB 3.65Å; F132-A137 PolarHBondContact O-N 3.31Å; F132-A137 VanDerWaalsContact O-N 3.08Å; L135-A137 PolarHBondContact O-N 2.77Å; A137-L151 HydrophobicContact CB-CB 4.42Å; A137-L151 HydrophobicContact CB-CD2 4.36Å; A137-Q152 CarbonylContact C-O 3.54Å; A137-Q152 WeakPolarHBondContact CA-O 3.38Å
138	E	85.9	Confident	86.8	Confident	109 Å²	109	55.6 Å²	55.6	51%	0.509	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-40.5	178.8	-59.9	-178.6	139.7	0	0	110.7	Q152 S155	E138-Q152 PolarHBondContact N-O 2.84Å; E138-S155 VanDerWaalsContact OE2-CB 3.23Å; E138-S155 WeakPolarHBondContact OE2-CB 3.26Å; E138-S155 PolarHBondContact OE2-N 2.95Å; E138-S155 PolarHBondContact OE2-OG 2.84Å
139	S	86.7	Confident	87	Confident	33 Å²	33	52.8 Å²	52.8	23%	0.231	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	167.7	-179.5	110	0	0	0	0	111.2	Q152	S139-Q152 PolarHBondContact O-N 3.47Å; S139-Q152 VanDerWaalsContact O-N 3.07Å; S139-Q152 WeakPolarHBondContact OG-CB 3.34Å; S139-Q152 PolarHBondContact OG-OE1 3.37Å
140	F	90.1	Very high	87.2	Confident	10 Å²	10	51.4 Å²	51.4	4%	0.044	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.1	177.2	67.7	-83.9	0	0	0	111.2	I105 R107 L113 F132 V142 V149 L150 L151	I105-F140 HydrophobicContact CG2-CE2 4.37Å; R107-F140 VanDerWaalsContact CD-CE1 3.5Å; R107-F140 HydrophobicContact CG-CE1 3.6Å; R107-F140 HydrophobicContact CG-CZ 4.08Å; L113-F140 HydrophobicContact CD1-CD1 4.45Å; L113-F140 HydrophobicContact CD1-CD2 3.72Å; L113-F140 HydrophobicContact CD1-CE1 4.11Å; L113-F140 HydrophobicContact CD1-CE2 3.31Å; L113-F140 HydrophobicContact CD1-CG 4.29Å; L113-F140 HydrophobicContact CD1-CZ 3.53Å; L113-F140 HydrophobicContact CD2-CD2 3.87Å; L113-F140 HydrophobicContact CD2-CE2 4.27Å; L113-F140 HydrophobicContact CD2-CG 4.4Å; L113-F140 HydrophobicContact CG-CD2 4.48Å; L113-F140 HydrophobicContact CG-CE2 4.44Å; F132-F140 HydrophobicContact CE2-CD1 4.37Å; F140-V142 HydrophobicContact CD2-CG2 4.21Å; F140-V149 HydrophobicContact CB-CG1 4.07Å; F140-L150 CarbonylContact C-O 3.59Å; F140-L150 WeakPolarHBondContact CA-O 3.43Å; F140-L151 HydrophobicContact CB-CD2 3.99Å
141	L	88.8	Confident	87.5	Confident	81 Å²	81	47.7 Å²	47.7	42%	0.424	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	120.3	168.5	-65.8	175.2	0	0	0	109.5	L150 W192	L141-L150 HydrophobicContact CB-CB 4.31Å; L141-L150 HydrophobicContact CB-CD2 4.48Å; L141-L150 HydrophobicContact CD1-CD2 4.34Å; L141-L150 PolarHBondContact N-O 2.71Å; L141-L150 WeakPolarHBondContact O-CB 3.31Å; L141-L150 PolarHBondContact O-N 2.9Å; L141-W192 PolarHBondContact O-NE1 3.36Å
142	V	90.1	Very high	88	Confident	22 Å²	22	49 Å²	49	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.6	178.6	-171.9	0	0	0	0	110.3	I105 L113 L126 F140 V149	I105-V142 HydrophobicContact CD1-CB 3.72Å; I105-V142 HydrophobicContact CD1-CG1 3.88Å; I105-V142 HydrophobicContact CD1-CG2 3.93Å; I105-V142 HydrophobicContact CG2-CG2 3.84Å; L113-V142 HydrophobicContact CD2-CG2 3.85Å; L126-V142 HydrophobicContact CD1-CG1 4.21Å; L126-V142 HydrophobicContact CD1-CG2 4.17Å; F140-V142 HydrophobicContact CD2-CG2 4.21Å; V142-V149 HydrophobicContact CG1-CG2 4.45Å; V142-V149 HydrophobicContact CG2-CG1 4.31Å; V142-V149 HydrophobicContact CG2-CG2 4.15Å
143	A	89.9	Confident	88.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	24%	0.239	C	C	.	.			trans	-67.1	149.2	175.3	0	0	0	0	0	111.3	D145 Q146 Y148 W192	A143-D145 PolarHBondContact O-N 2.85Å; A143-Q146 WeakPolarHBondContact O-CA 3.35Å; A143-Q146 PolarHBondContact O-N 2.9Å; A143-Y148 PolarHBondContact N-O 3.08Å; A143-W192 HydrophobicContact CB-CD2 3.82Å; A143-W192 HydrophobicContact CB-CE3 3.83Å; A143-W192 HydrophobicContact CB-CH2 3.91Å; A143-W192 HydrophobicContact CB-CZ2 3.86Å; A143-W192 HydrophobicContact CB-CZ3 3.88Å
144	P	86.1	Confident	88.6	Confident	47 Å²	47	43.3 Å²	43.3	31%	0.305	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.3	-177.7	-23.9	33.6	0	0	0	115.5	Q146 A193 A195	P144-Q146 VanDerWaalsContact C-N 3.33Å; P144-A193 VanDerWaalsContact CG-O 3.29Å; P144-A193 WeakPolarHBondContact CG-O 3.43Å; P144-A195 HydrophobicContact CB-CB 3.83Å
145	D	86.4	Confident	88.6	Confident	34 Å²	34	38 Å²	38	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.8	173.2	91.7	-26.8	0	0	0	114.3	A143 K147 N266 Q267	A143-D145 PolarHBondContact O-N 2.85Å; D145-K147 PolarHBondContact O-N 3.22Å; D145-K147 VanDerWaalsContact O-N 3.08Å; D145-K147 WeakPolarHBondContact OD1-CB 3.31Å; D145-K147 PolarHBondContact OD1-N 2.89Å; D145-K147 VanDerWaalsContact OD2-CD 3.3Å; D145-K147 WeakPolarHBondContact OD2-CD 3.41Å; D145-K147 WeakPolarHBondContact OD2-CE 3.47Å; D145-K147 WeakPolarHBondContact OD2-CG 3.39Å; D145-K147 IonicContact OD2-NZ 3.33Å; D145-K147 PolarHBondContact OD2-NZ 3Å; D145-N266 HydrophobicContact CB-CB 4.19Å; D145-Q267 PolarHBondContact OD2-NE2 2.59Å
146	Q	89.5	Confident	88.9	Confident	27 Å²	27	39.5 Å²	39.5	13%	0.126	21%	0.213	C	C	.	.	S	Bend	trans	57.2	12.1	-178.9	-56	177.6	2.9	0	0	115.8	S99 E103 I115 A143 P144	S99-Q146 PolarHBondContact OG-NE2 2.88Å; E103-Q146 PolarHBondContact OE2-NE2 3.36Å; I115-Q146 VanDerWaalsContact CD1-CD 3.47Å; I115-Q146 HydrophobicContact CD1-CG 4.2Å; I115-Q146 VanDerWaalsContact CD1-OE1 3.27Å; A143-Q146 WeakPolarHBondContact O-CA 3.35Å; A143-Q146 PolarHBondContact O-N 2.9Å; P144-Q146 VanDerWaalsContact C-N 3.33Å
147	K	90.3	Very high	88.2	Confident	83 Å²	83	39.3 Å²	39.3	36%	0.361	23%	0.227	S	C	.	.	S	Bend	trans	-89.9	-20.3	178.2	-58.9	-172.6	-161	113.9	0	113.6	D145 V167	D145-K147 PolarHBondContact O-N 3.22Å; D145-K147 VanDerWaalsContact O-N 3.08Å; D145-K147 WeakPolarHBondContact OD1-CB 3.31Å; D145-K147 PolarHBondContact OD1-N 2.89Å; D145-K147 VanDerWaalsContact OD2-CD 3.3Å; D145-K147 WeakPolarHBondContact OD2-CD 3.41Å; D145-K147 WeakPolarHBondContact OD2-CE 3.47Å; D145-K147 WeakPolarHBondContact OD2-CG 3.39Å; D145-K147 IonicContact OD2-NZ 3.33Å; D145-K147 PolarHBondContact OD2-NZ 3Å; K147-V167 WeakPolarHBondContact O-CB 3.42Å; K147-V167 WeakPolarHBondContact O-CG2 3.43Å; K147-V167 PolarHBondContact O-N 2.94Å
148	Y	92.1	Very high	87.7	Confident	6 Å²	6	44.9 Å²	44.9	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.1	-176.3	-59.9	-78.7	0	0	0	112.1	A143 V164 Y165 E166 W192 Q267 V283 Q284	A143-Y148 PolarHBondContact N-O 3.08Å; Y148-V164 HydrophobicContact CD1-CG1 3.83Å; Y148-V164 HydrophobicContact CG-CG1 4.17Å; Y148-Y165 CarbonylContact C-O 3.56Å; Y148-Y165 VanDerWaalsContact CA-O 3.26Å; Y148-Y165 WeakPolarHBondContact CA-O 2.93Å; Y148-E166 HydrophobicContact CD1-CB 4.04Å; Y148-E166 HydrophobicContact CD1-CG 4.35Å; Y148-E166 HydrophobicContact CE1-CB 3.91Å; Y148-E166 HydrophobicContact CE1-CG 3.91Å; Y148-W192 HydrophobicContact CG-CH2 4.46Å; Y148-Q267 HydrophobicContact CD2-CG 4.47Å; Y148-Q267 HydrophobicContact CE2-CG 4.2Å; Y148-V283 HydrophobicContact CD1-CB 4.35Å; Y148-V283 HydrophobicContact CD1-CG1 3.93Å; Y148-V283 HydrophobicContact CD1-CG2 4.2Å; Y148-V283 HydrophobicContact CD2-CG2 3.91Å; Y148-V283 HydrophobicContact CE1-CB 3.99Å; Y148-V283 HydrophobicContact CE1-CG1 3.68Å; Y148-V283 HydrophobicContact CE1-CG2 4.28Å; Y148-V283 HydrophobicContact CE2-CB 4.19Å; Y148-V283 HydrophobicContact CE2-CG2 4Å; Y148-V283 HydrophobicContact CG-CG2 3.99Å; Y148-Q284 PolarHBondContact OH-NE2 3.01Å; Y148-Q284 PolarHBondContact OH-OE1 2.8Å
149	V	92.8	Very high	87.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.8	171.5	-174	0	0	0	0	107.9	L113 F140 V142 L151 Y165 V167	L113-V149 HydrophobicContact CD2-CG1 3.84Å; L113-V149 HydrophobicContact CD2-CG2 4.03Å; F140-V149 HydrophobicContact CB-CG1 4.07Å; V142-V149 HydrophobicContact CG1-CG2 4.45Å; V142-V149 HydrophobicContact CG2-CG1 4.31Å; V142-V149 HydrophobicContact CG2-CG2 4.15Å; V149-L151 HydrophobicContact CG1-CD2 3.82Å; V149-L151 HydrophobicContact CG1-CG 4.26Å; V149-Y165 HydrophobicContact CB-CD1 4.21Å; V149-Y165 HydrophobicContact CG2-CD1 4.19Å; V149-Y165 PolarHBondContact N-O 2.92Å; V149-Y165 PolarHBondContact O-N 2.81Å; V149-V167 HydrophobicContact CG2-CG2 3.88Å
150	L	92.3	Very high	88	Confident	4 Å²	4	39 Å²	39	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.7	166.3	-174.7	73.8	0	0	0	108.4	F140 L141 H162 H163 V164 L175 V190 W192	F140-L150 CarbonylContact C-O 3.59Å; F140-L150 WeakPolarHBondContact CA-O 3.43Å; L141-L150 HydrophobicContact CB-CB 4.31Å; L141-L150 HydrophobicContact CB-CD2 4.48Å; L141-L150 HydrophobicContact CD1-CD2 4.34Å; L141-L150 PolarHBondContact N-O 2.71Å; L141-L150 WeakPolarHBondContact O-CB 3.31Å; L141-L150 PolarHBondContact O-N 2.9Å; L150-H162 HydrophobicContact CD1-CB 4.16Å; L150-H163 CarbonylContact C-O 3.51Å; L150-V164 HydrophobicContact CD1-CG2 3.9Å; L150-L175 HydrophobicContact CD1-CD2 4.06Å; L150-V190 HydrophobicContact CD1-CG1 4.37Å; L150-V190 HydrophobicContact CD2-CB 3.94Å; L150-V190 HydrophobicContact CD2-CG1 3.46Å; L150-V190 VanDerWaalsContact CD2-CG1 3.46Å; L150-W192 HydrophobicContact CB-CZ2 3.89Å
151	L	92.4	Very high	88.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.6	-178.2	-61.6	167.2	0	0	0	109	M127 F132 L135 A137 F140 V149 H162 H163	M127-L151 HydrophobicContact CE-CD1 3.38Å; M127-L151 HydrophobicContact CE-CD2 3.99Å; M127-L151 HydrophobicContact CE-CG 4.33Å; M127-L151 HydrophobicContact SD-CD1 4.11Å; M127-L151 HydrophobicContact SD-CD2 3.81Å; F132-L151 HydrophobicContact CD2-CD2 4.26Å; F132-L151 HydrophobicContact CE2-CD2 4.28Å; L135-L151 HydrophobicContact CD1-CD1 3.49Å; L135-L151 VanDerWaalsContact CD1-CD1 3.49Å; A137-L151 HydrophobicContact CB-CB 4.42Å; A137-L151 HydrophobicContact CB-CD2 4.36Å; F140-L151 HydrophobicContact CB-CD2 3.99Å; V149-L151 HydrophobicContact CG1-CD2 3.82Å; V149-L151 HydrophobicContact CG1-CG 4.26Å; L151-H162 WeakPolarHBondContact O-CA 3.27Å; L151-H163 PolarHBondContact N-O 2.86Å; L151-H163 PolarHBondContact O-N 3.05Å
152	Q	91.9	Very high	88.3	Confident	51 Å²	51	37.8 Å²	37.8	24%	0.238	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.5	177.9	-175.8	-172.2	-16.3	0	0	109.3	A137 E138 S139 S155 S160 R161	A137-Q152 CarbonylContact C-O 3.54Å; A137-Q152 WeakPolarHBondContact CA-O 3.38Å; E138-Q152 PolarHBondContact N-O 2.84Å; S139-Q152 PolarHBondContact O-N 3.47Å; S139-Q152 VanDerWaalsContact O-N 3.07Å; S139-Q152 WeakPolarHBondContact OG-CB 3.34Å; S139-Q152 PolarHBondContact OG-OE1 3.37Å; Q152-S155 PolarHBondContact NE2-OG 3.49Å; Q152-S160 WeakPolarHBondContact CG-OG 3.49Å; Q152-S160 PolarHBondContact NE2-OG 3.31Å; Q152-R161 WeakPolarHBondContact CA-O 3.43Å
153	S	91.9	Very high	88.4	Confident	11 Å²	11	38.3 Å²	38.3	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.7	173	57.5	0	0	0	0	111.7	L135 N136 R161	L135-S153 VanDerWaalsContact O-CB 3.27Å; L135-S153 WeakPolarHBondContact O-CB 3.19Å; L135-S153 PolarHBondContact O-OG 3.18Å; N136-S153 VanDerWaalsContact O-CB 3.28Å; N136-S153 WeakPolarHBondContact O-CB 3.43Å; S153-R161 PolarHBondContact N-O 2.74Å; S153-R161 WeakPolarHBondContact O-CB 3.36Å; S153-R161 PolarHBondContact O-N 2.92Å
154	D	88.9	Confident	88.5	Confident	63 Å²	63	38.4 Å²	38.4	34%	0.337	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.2	65.8	177.6	-178.9	7.6	0	0	0	111.9	R161 R186	D154-R161 HydrophobicContact CB-CG 4.17Å; D154-R161 WeakPolarHBondContact OD2-CD 3.44Å; D154-R161 IonicContact OD2-CZ 2.69Å; D154-R161 IonicContact OD2-NE 3.56Å; D154-R161 PolarHBondContact OD2-NE 2.83Å; D154-R161 IonicContact OD2-NH2 3.53Å; D154-R186 PolarHBondContact O-NH1 3.5Å; D154-R186 IonicContact OD1-CZ 3.4Å; D154-R186 IonicContact OD1-NH1 2.76Å; D154-R186 PolarHBondContact OD1-NH1 2.91Å; D154-R186 IonicContact OD1-NH2 2.68Å; D154-R186 PolarHBondContact OD1-NH2 2.95Å; D154-R186 IonicContact OD2-CZ 2.67Å; D154-R186 IonicContact OD2-NH2 3.36Å; D154-R186 PolarHBondContact OD2-NH2 3.47Å; D154-R186 VanDerWaalsContact OD2-NH2 3.1Å
155	S	85.9	Confident	88.9	Confident	51 Å²	51	36.9 Å²	36.9	36%	0.357	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.2	-179.9	-53.8	0	0	0	0	112.4	E138 Q152 S160	E138-S155 VanDerWaalsContact OE2-CB 3.23Å; E138-S155 WeakPolarHBondContact OE2-CB 3.26Å; E138-S155 PolarHBondContact OE2-N 2.95Å; E138-S155 PolarHBondContact OE2-OG 2.84Å; Q152-S155 PolarHBondContact NE2-OG 3.49Å; S155-S160 WeakPolarHBondContact OG-CB 3.39Å
156	N	82.6	Confident	89.2	Confident	67 Å²	67	36.3 Å²	36.3	36%	0.358	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	-172.6	169.7	78.4	-14.5	0	0	0	110.9	E158 G159 R186	N156-E158 PolarHBondContact ND2-OE2 2.83Å; N156-E158 PolarHBondContact O-N 3.04Å; N156-E158 WeakPolarHBondContact OD1-CB 3.13Å; N156-E158 PolarHBondContact OD1-N 2.91Å; N156-G159 PolarHBondContact N-O 3.41Å; N156-G159 PolarHBondContact O-N 3.28Å; N156-G159 PolarHBondContact OD1-N 3.49Å; N156-G159 PolarHBondContact OD1-O 2.71Å; N156-R186 VanDerWaalsContact CG-CZ 3.41Å; N156-R186 PolarHBondContact ND2-NE 2.8Å; N156-R186 VanDerWaalsContact OD1-CD 3.32Å; N156-R186 WeakPolarHBondContact OD1-CD 3.45Å; N156-R186 PolarHBondContact OD1-NE 3.48Å; N156-R186 PolarHBondContact OD1-NH1 2.9Å
157	A	72.9	Confident	89.3	Confident	113 Å²	113	36.4 Å²	36.4	93%	0.934	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.5	179.6	0	0	0	0	0	114.5	G159	A157-G159 VanDerWaalsContact C-N 3.33Å
158	E	75.1	Confident	89.3	Confident	128 Å²	128	39.8 Å²	39.8	60%	0.598	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.2	177.8	-52.7	165.2	137.7	0	0	112	N156 R186 Q188	N156-E158 PolarHBondContact ND2-OE2 2.83Å; N156-E158 PolarHBondContact O-N 3.04Å; N156-E158 WeakPolarHBondContact OD1-CB 3.13Å; N156-E158 PolarHBondContact OD1-N 2.91Å; E158-R186 VanDerWaalsContact OE2-CD 3.28Å; E158-R186 WeakPolarHBondContact OE2-CD 3.48Å; E158-R186 IonicContact OE2-NE 2.8Å; E158-R186 PolarHBondContact OE2-NE 3.13Å; E158-Q188 VanDerWaalsContact O-CG 3.32Å; E158-Q188 WeakPolarHBondContact O-CG 3.49Å
159	G	85.8	Confident	89.2	Confident	10 Å²	10	42.7 Å²	42.7	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-161.3	-175.9	0	0	0	0	0	112.7	N156 A157 R186 L187	N156-G159 PolarHBondContact N-O 3.41Å; N156-G159 PolarHBondContact O-N 3.28Å; N156-G159 PolarHBondContact OD1-N 3.49Å; N156-G159 PolarHBondContact OD1-O 2.71Å; A157-G159 VanDerWaalsContact C-N 3.33Å; G159-R186 PolarHBondContact O-NH1 2.96Å; G159-L187 WeakPolarHBondContact CA-O 3.31Å
160	S	91.4	Very high	89.1	Confident	9 Å²	9	45.3 Å²	45.3	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.2	-175.4	50	0	0	0	0	112.2	Q152 S155 H162 L187	Q152-S160 WeakPolarHBondContact CG-OG 3.49Å; Q152-S160 PolarHBondContact NE2-OG 3.31Å; S155-S160 WeakPolarHBondContact OG-CB 3.39Å; S160-H162 PolarHBondContact O-CE1 2.83Å; S160-H162 PolarHBondContact O-ND1 2.81Å; S160-H162 PolarHBondContact OG-CE1 3.11Å; S160-L187 PolarHBondContact N-O 3.29Å; S160-L187 PolarHBondContact O-N 3.28Å
161	R	92.5	Very high	89	Confident	55 Å²	55	49 Å²	49	21%	0.208	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.9	-179.2	-58.9	-176.6	-175.4	-109.6	26.7	110.1	Q152 S153 D154 E183 A184	Q152-R161 WeakPolarHBondContact CA-O 3.43Å; S153-R161 PolarHBondContact N-O 2.74Å; S153-R161 WeakPolarHBondContact O-CB 3.36Å; S153-R161 PolarHBondContact O-N 2.92Å; D154-R161 HydrophobicContact CB-CG 4.17Å; D154-R161 WeakPolarHBondContact OD2-CD 3.44Å; D154-R161 IonicContact OD2-CZ 2.69Å; D154-R161 IonicContact OD2-NE 3.56Å; D154-R161 PolarHBondContact OD2-NE 2.83Å; D154-R161 IonicContact OD2-NH2 3.53Å; R161-E183 IonicContact CZ-OE1 3.89Å; R161-E183 IonicContact NH1-OE1 3.28Å; R161-E183 PolarHBondContact NH1-OE1 2.71Å; R161-E183 IonicContact NH2-OE1 3.91Å; R161-E183 PolarHBondContact NH2-OE1 3.36Å; R161-A184 HydrophobicContact CB-CB 4.25Å; R161-A184 PolarHBondContact NH1-O 2.92Å
162	H	93.1	Very high	88.9	Confident	10 Å²	10	52 Å²	52	5%	0.046	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.3	-172.8	-74.9	86.5	0	0	0	112	L150 L151 S160 L175 A184 L187	L150-H162 HydrophobicContact CD1-CB 4.16Å; L151-H162 WeakPolarHBondContact O-CA 3.27Å; S160-H162 PolarHBondContact O-CE1 2.83Å; S160-H162 PolarHBondContact O-ND1 2.81Å; S160-H162 PolarHBondContact OG-CE1 3.11Å; H162-L175 HydrophobicContact CB-CB 4.12Å; H162-L175 HydrophobicContact CB-CD2 4.25Å; H162-L175 PolarHBondContact O-N 3.26Å; H162-A184 WeakPolarHBondContact O-CB 3.45Å; H162-L187 HydrophobicContact CB-CD1 3.98Å
163	H	92.8	Very high	88.7	Confident	33 Å²	33	53.2 Å²	53.2	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.1	176.8	-63	87.6	0	0	0	109.9	L150 L151 F173	L150-H163 CarbonylContact C-O 3.51Å; L151-H163 PolarHBondContact N-O 2.86Å; L151-H163 PolarHBondContact O-N 3.05Å; H163-F173 CarbonylContact C-O 3.6Å; H163-F173 WeakPolarHBondContact CA-O 3.2Å
164	V	92.8	Very high	88.7	Confident	4 Å²	4	55 Å²	55	2%	0.024	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.9	173.1	-171.8	0	0	0	0	108.8	Y148 L150 T172 F173 W192 I269 V283	Y148-V164 HydrophobicContact CD1-CG1 3.83Å; Y148-V164 HydrophobicContact CG-CG1 4.17Å; L150-V164 HydrophobicContact CD1-CG2 3.9Å; V164-T172 WeakPolarHBondContact O-CA 3.4Å; V164-F173 PolarHBondContact N-O 2.68Å; V164-F173 PolarHBondContact O-N 3.26Å; V164-W192 HydrophobicContact CG1-CH2 4Å; V164-W192 HydrophobicContact CG1-CZ2 4.34Å; V164-I269 HydrophobicContact CG2-CD1 4.06Å; V164-V283 HydrophobicContact CB-CG1 4.22Å; V164-V283 HydrophobicContact CG1-CG1 3.69Å; V164-V283 HydrophobicContact CG1-CG2 4.26Å
165	Y	93.1	Very high	88.9	Confident	14 Å²	14	52.3 Å²	52.3	6%	0.055	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.5	174.9	170.7	-99.1	0	0	0	110.3	M127 T131 Y148 V149 V167 A170 N171 T172	M127-Y165 HydrophobicContact CB-CE1 4.05Å; M127-Y165 HydrophobicContact CG-CD1 4.25Å; M127-Y165 HydrophobicContact CG-CE1 3.89Å; T131-Y165 HydrophobicContact CG2-CD2 4.16Å; T131-Y165 HydrophobicContact CG2-CE2 3.86Å; Y148-Y165 CarbonylContact C-O 3.56Å; Y148-Y165 VanDerWaalsContact CA-O 3.26Å; Y148-Y165 WeakPolarHBondContact CA-O 2.93Å; V149-Y165 HydrophobicContact CB-CD1 4.21Å; V149-Y165 HydrophobicContact CG2-CD1 4.19Å; V149-Y165 PolarHBondContact N-O 2.92Å; V149-Y165 PolarHBondContact O-N 2.81Å; Y165-V167 HydrophobicContact CD1-CG2 4.25Å; Y165-V167 HydrophobicContact CE1-CG2 4.12Å; Y165-A170 VanDerWaalsContact CE2-CA 3.48Å; Y165-A170 HydrophobicContact CE2-CB 3.88Å; Y165-N171 CarbonylContact C-O 3.57Å; Y165-N171 WeakPolarHBondContact CA-O 3.04Å; Y165-T172 HydrophobicContact CD2-CG2 3.87Å
166	E	93.3	Very high	89.1	Confident	22 Å²	22	50 Å²	50	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.3	176.8	179.3	178.7	-147.2	0	0	110.6	Y148 Q168 T169 A170 N171 F173 Q284	Y148-E166 HydrophobicContact CD1-CB 4.04Å; Y148-E166 HydrophobicContact CD1-CG 4.35Å; Y148-E166 HydrophobicContact CE1-CB 3.91Å; Y148-E166 HydrophobicContact CE1-CG 3.91Å; E166-Q168 VanDerWaalsContact C-N 3.26Å; E166-Q168 PolarHBondContact O-N 2.85Å; E166-T169 WeakPolarHBondContact CB-OG1 3.23Å; E166-T169 HydrophobicContact CG-CG2 4.29Å; E166-T169 WeakPolarHBondContact CG-OG1 3.49Å; E166-T169 PolarHBondContact O-N 3.26Å; E166-T169 WeakPolarHBondContact OE2-CB 3.49Å; E166-T169 VanDerWaalsContact OE2-CG2 3.28Å; E166-T169 WeakPolarHBondContact OE2-CG2 3.32Å; E166-T169 PolarHBondContact OE2-OG1 3.28Å; E166-A170 WeakPolarHBondContact O-CA 3.16Å; E166-A170 PolarHBondContact O-N 3.49Å; E166-N171 PolarHBondContact N-O 2.91Å; E166-F173 HydrophobicContact CB-CE2 4.18Å; E166-Q284 PolarHBondContact OE1-NE2 3.45Å; E166-Q284 PolarHBondContact OE2-NE2 2.72Å
167	V	91.2	Very high	89.4	Confident	30 Å²	30	48.2 Å²	48.2	18%	0.182	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.4	-170.7	175.2	0	0	0	0	113.1	L126 K147 V149 Y165	L126-V167 HydrophobicContact CD2-CG1 4.11Å; K147-V167 WeakPolarHBondContact O-CB 3.42Å; K147-V167 WeakPolarHBondContact O-CG2 3.43Å; K147-V167 PolarHBondContact O-N 2.94Å; V149-V167 HydrophobicContact CG2-CG2 3.88Å; Y165-V167 HydrophobicContact CD1-CG2 4.25Å; Y165-V167 HydrophobicContact CE1-CG2 4.12Å
168	Q	90.1	Very high	90.1	Very high	154 Å²	154	47 Å²	47	72%	0.72	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-29.2	-177	-64.1	-169.3	-8.7	0	0	114	E166	E166-Q168 VanDerWaalsContact C-N 3.26Å; E166-Q168 PolarHBondContact O-N 2.85Å
169	T	91.4	Very high	90.3	Very high	67 Å²	67	44 Å²	44	41%	0.411	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-15.2	-173.8	60.2	0	0	0	0	112.9	E166 N171	E166-T169 WeakPolarHBondContact CB-OG1 3.23Å; E166-T169 HydrophobicContact CG-CG2 4.29Å; E166-T169 WeakPolarHBondContact CG-OG1 3.49Å; E166-T169 PolarHBondContact O-N 3.26Å; E166-T169 WeakPolarHBondContact OE2-CB 3.49Å; E166-T169 VanDerWaalsContact OE2-CG2 3.28Å; E166-T169 WeakPolarHBondContact OE2-CG2 3.32Å; E166-T169 PolarHBondContact OE2-OG1 3.28Å; T169-N171 WeakPolarHBondContact CB-ND2 3.42Å; T169-N171 PolarHBondContact O-N 2.99Å; T169-N171 WeakPolarHBondContact OG1-CB 3.27Å; T169-N171 PolarHBondContact OG1-N 3.49Å; T169-N171 VanDerWaalsContact OG1-N 3.14Å; T169-N171 PolarHBondContact OG1-ND2 3.28Å; T169-N171 VanDerWaalsContact OG1-ND2 3.15Å
170	A	89.3	Confident	89.7	Confident	54 Å²	54	51.3 Å²	51.3	45%	0.446	28%	0.279	S	S	.	.			trans	59.7	14.6	-165.3	0	0	0	0	0	115.1	Y165 E166	Y165-A170 VanDerWaalsContact CE2-CA 3.48Å; Y165-A170 HydrophobicContact CE2-CB 3.88Å; E166-A170 WeakPolarHBondContact O-CA 3.16Å; E166-A170 PolarHBondContact O-N 3.49Å
171	N	90.6	Very high	89.2	Confident	81 Å²	81	53.2 Å²	53.2	43%	0.433	29%	0.288	S	S	.	.			trans	-69.7	152.8	175.9	-69.9	-33.4	0	0	0	111.9	Y165 E166 T169 F173	Y165-N171 CarbonylContact C-O 3.57Å; Y165-N171 WeakPolarHBondContact CA-O 3.04Å; E166-N171 PolarHBondContact N-O 2.91Å; T169-N171 WeakPolarHBondContact CB-ND2 3.42Å; T169-N171 PolarHBondContact O-N 2.99Å; T169-N171 WeakPolarHBondContact OG1-CB 3.27Å; T169-N171 PolarHBondContact OG1-N 3.49Å; T169-N171 VanDerWaalsContact OG1-N 3.14Å; T169-N171 PolarHBondContact OG1-ND2 3.28Å; T169-N171 VanDerWaalsContact OG1-ND2 3.15Å; N171-F173 HydrophobicContact CB-CE1 4.38Å; N171-F173 HydrophobicContact CB-CE2 3.72Å; N171-F173 HydrophobicContact CB-CZ 3.55Å
172	T	89.7	Confident	88.6	Confident	64 Å²	64	56 Å²	56	39%	0.393	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.9	179.7	55.2	0	0	0	0	110.8	L135 V164 Y165	L135-T172 HydrophobicContact CD1-CG2 3.91Å; V164-T172 WeakPolarHBondContact O-CA 3.4Å; Y165-T172 HydrophobicContact CD2-CG2 3.87Å
173	F	88.8	Confident	88.3	Confident	78 Å²	78	61.3 Å²	61.3	34%	0.342	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132	-177.1	-49.4	-83.2	0	0	0	110.4	H163 V164 E166 N171	H163-F173 CarbonylContact C-O 3.6Å; H163-F173 WeakPolarHBondContact CA-O 3.2Å; V164-F173 PolarHBondContact N-O 2.68Å; V164-F173 PolarHBondContact O-N 3.26Å; E166-F173 HydrophobicContact CB-CE2 4.18Å; N171-F173 HydrophobicContact CB-CE1 4.38Å; N171-F173 HydrophobicContact CB-CE2 3.72Å; N171-F173 HydrophobicContact CB-CZ 3.55Å
174	P	91.6	Very high	88.1	Confident	48 Å²	48	59.8 Å²	59.8	31%	0.312	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.6	174.2	28.6	-32.5	0	0	0	111	I181 A184	P174-I181 VanDerWaalsContact CG-O 3.3Å; P174-I181 WeakPolarHBondContact CG-O 3.47Å; P174-A184 HydrophobicContact CB-CB 3.73Å
175	L	92.3	Very high	88.1	Confident	6 Å²	6	61 Å²	61	3%	0.031	35%	0.348	C	S	.	.			trans	-98.8	133.7	174.3	-178.3	66.5	0	0	0	110.3	L150 H162 P185 L187 V190 I269 F271 K280	L150-L175 HydrophobicContact CD1-CD2 4.06Å; H162-L175 HydrophobicContact CB-CB 4.12Å; H162-L175 HydrophobicContact CB-CD2 4.25Å; H162-L175 PolarHBondContact O-N 3.26Å; L175-P185 WeakPolarHBondContact O-CD 3.46Å; L175-L187 HydrophobicContact CB-CD1 4.24Å; L175-L187 HydrophobicContact CD2-CD1 3.72Å; L175-L187 HydrophobicContact CG-CD1 3.8Å; L175-V190 HydrophobicContact CD2-CG1 3.74Å; L175-V190 HydrophobicContact CD2-CG2 4.29Å; L175-I269 HydrophobicContact CD1-CD1 4.09Å; L175-I269 HydrophobicContact CD2-CD1 4.39Å; L175-I269 HydrophobicContact CD2-CG2 4.01Å; L175-F271 HydrophobicContact CD1-CD1 4.2Å; L175-F271 HydrophobicContact CD1-CE1 4.02Å; L175-F271 HydrophobicContact CD2-CD1 4.29Å; L175-F271 HydrophobicContact CG-CD1 4.35Å; L175-F271 HydrophobicContact CG-CE1 4.46Å; L175-K280 HydrophobicContact CD1-CD 4.41Å
176	G	91.6	Very high	88	Confident	4 Å²	4	63.1 Å²	63.1	4%	0.041	36%	0.357	C	S	.	.	S	Bend	trans	-171.2	-178.8	177	0	0	0	0	0	113.5	T178 F271	G176-T178 PolarHBondContact O-N 2.74Å; G176-F271 WeakPolarHBondContact O-CZ 3.5Å
177	P	88.8	Confident	88	Confident	29 Å²	29	62.1 Å²	62.1	19%	0.188	35%	0.352	C	S	.	.	S	Bend	trans	-73.9	-6.4	-173.5	31.9	-37	0	0	0	114.4	F271 Y278	P177-F271 HydrophobicContact CB-CE2 4.49Å; P177-Y278 HydrophobicContact CB-CD1 3.87Å; P177-Y278 HydrophobicContact CB-CE1 3.42Å; P177-Y278 VanDerWaalsContact CB-CE1 3.42Å; P177-Y278 HydrophobicContact CB-CE2 4.42Å
178	T	86.4	Confident	87.9	Confident	88 Å²	88	63.6 Å²	63.6	54%	0.54	36%	0.357	S	S	.	.	S	Bend	trans	-140.3	158.2	178.9	54.2	0	0	0	0	109.8	G176 I181	G176-T178 PolarHBondContact O-N 2.74Å; T178-I181 VanDerWaalsContact O-CD1 3.31Å; T178-I181 WeakPolarHBondContact O-CD1 3.47Å; T178-I181 WeakPolarHBondContact O-CG1 3.4Å
179	E	79.3	Confident	88	Confident	63 Å²	63	58.7 Å²	58.7	29%	0.294	33%	0.334	S	S	.	.	S	Bend	trans	-81	169.7	173.5	-58	-58.8	121.6	0	0	112.6	I181 K280 E286 V288	E179-I181 PolarHBondContact O-N 2.76Å; E179-K280 WeakPolarHBondContact OE1-CE 3.45Å; E179-K280 IonicContact OE1-NZ 3.57Å; E179-K280 PolarHBondContact OE1-NZ 2.88Å; E179-K280 IonicContact OE2-NZ 3.99Å; E179-K280 PolarHBondContact OE2-NZ 2.85Å; E179-E286 HydrophobicContact CG-CB 4.28Å; E179-E286 WeakPolarHBondContact CG-O 3.32Å; E179-V288 VanDerWaalsContact OE1-CG2 3.28Å; E179-V288 WeakPolarHBondContact OE1-CG2 3.47Å
180	N	73.4	Confident	88	Confident	164 Å²	164	55.9 Å²	55.9	88%	0.877	32%	0.316	S	S	*	.	S	Bend	trans	56.6	27.3	174.6	-59.9	-44.8	0	0	0	115.3
181	I	82.1	Confident	88.1	Confident	50 Å²	50	54.7 Å²	54.7	26%	0.256	30%	0.304	S	S	.	.			trans	-70.1	133.5	172.7	-32.4	-178.8	0	0	0	109.3	P174 T178 E179 E183 P185	P174-I181 VanDerWaalsContact CG-O 3.3Å; P174-I181 WeakPolarHBondContact CG-O 3.47Å; T178-I181 VanDerWaalsContact O-CD1 3.31Å; T178-I181 WeakPolarHBondContact O-CD1 3.47Å; T178-I181 WeakPolarHBondContact O-CG1 3.4Å; E179-I181 PolarHBondContact O-N 2.76Å; I181-E183 VanDerWaalsContact C-N 3.29Å; I181-E183 WeakPolarHBondContact CG2-O 3.37Å; I181-E183 PolarHBondContact O-N 3.14Å; I181-P185 HydrophobicContact CD1-CG 4.19Å
182	A	80.1	Confident	88.2	Confident	112 Å²	112	52.2 Å²	52.2	93%	0.926	29%	0.288	S	S	*	.	S	Bend	trans	-72.9	-21.2	177.9	0	0	0	0	0	113.6
183	E	85.9	Confident	88.1	Confident	122 Å²	122	49.2 Å²	49.2	57%	0.57	27%	0.27	S	S	*	.	S	Bend	trans	-146.3	134.4	-172.8	-168.4	-175.7	138.6	0	0	108.8	R161 I181 P185	R161-E183 IonicContact CZ-OE1 3.89Å; R161-E183 IonicContact NH1-OE1 3.28Å; R161-E183 PolarHBondContact NH1-OE1 2.71Å; R161-E183 IonicContact NH2-OE1 3.91Å; R161-E183 PolarHBondContact NH2-OE1 3.36Å; I181-E183 VanDerWaalsContact C-N 3.29Å; I181-E183 WeakPolarHBondContact CG2-O 3.37Å; I181-E183 PolarHBondContact O-N 3.14Å; E183-P185 WeakPolarHBondContact O-CD 3.44Å
184	A	88.6	Confident	87.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-69.1	124.4	-177.9	0	0	0	0	0	111.4	R161 H162 P174	R161-A184 HydrophobicContact CB-CB 4.25Å; R161-A184 PolarHBondContact NH1-O 2.92Å; H162-A184 WeakPolarHBondContact O-CB 3.45Å; P174-A184 HydrophobicContact CB-CB 3.73Å
185	P	92.3	Very high	86.8	Confident	29 Å²	29	47.3 Å²	47.3	19%	0.188	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.7	165.9	173.1	29.2	-35.9	0	0	0	111.8	L175 I181 E183 L187	L175-P185 WeakPolarHBondContact O-CD 3.46Å; I181-P185 HydrophobicContact CD1-CG 4.19Å; E183-P185 WeakPolarHBondContact O-CD 3.44Å; P185-L187 HydrophobicContact CG-CD2 4.22Å; P185-L187 PolarHBondContact O-N 3.09Å
186	R	91.3	Very high	85.1	Confident	60 Å²	60	49.3 Å²	49.3	23%	0.226	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.7	170.3	-64.1	-174.7	175.7	-70.2	-11.6	109.4	D154 N156 E158 G159	D154-R186 PolarHBondContact O-NH1 3.5Å; D154-R186 IonicContact OD1-CZ 3.4Å; D154-R186 IonicContact OD1-NH1 2.76Å; D154-R186 PolarHBondContact OD1-NH1 2.91Å; D154-R186 IonicContact OD1-NH2 2.68Å; D154-R186 PolarHBondContact OD1-NH2 2.95Å; D154-R186 IonicContact OD2-CZ 2.67Å; D154-R186 IonicContact OD2-NH2 3.36Å; D154-R186 PolarHBondContact OD2-NH2 3.47Å; D154-R186 VanDerWaalsContact OD2-NH2 3.1Å; N156-R186 VanDerWaalsContact CG-CZ 3.41Å; N156-R186 PolarHBondContact ND2-NE 2.8Å; N156-R186 VanDerWaalsContact OD1-CD 3.32Å; N156-R186 WeakPolarHBondContact OD1-CD 3.45Å; N156-R186 PolarHBondContact OD1-NE 3.48Å; N156-R186 PolarHBondContact OD1-NH1 2.9Å; E158-R186 VanDerWaalsContact OE2-CD 3.28Å; E158-R186 WeakPolarHBondContact OE2-CD 3.48Å; E158-R186 IonicContact OE2-NE 2.8Å; E158-R186 PolarHBondContact OE2-NE 3.13Å; G159-R186 PolarHBondContact O-NH1 2.96Å
187	L	92.4	Very high	82.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.4	173.7	-51.4	-178.5	0	0	0	108.5	G159 S160 H162 L175 P185 V190 F271 H273	G159-L187 WeakPolarHBondContact CA-O 3.31Å; S160-L187 PolarHBondContact N-O 3.29Å; S160-L187 PolarHBondContact O-N 3.28Å; H162-L187 HydrophobicContact CB-CD1 3.98Å; L175-L187 HydrophobicContact CB-CD1 4.24Å; L175-L187 HydrophobicContact CD2-CD1 3.72Å; L175-L187 HydrophobicContact CG-CD1 3.8Å; P185-L187 HydrophobicContact CG-CD2 4.22Å; P185-L187 PolarHBondContact O-N 3.09Å; L187-V190 HydrophobicContact CB-CG2 3.93Å; L187-V190 HydrophobicContact CD1-CG2 3.74Å; L187-V190 HydrophobicContact CG-CG2 4.5Å; L187-F271 HydrophobicContact CD1-CB 4.2Å; L187-F271 HydrophobicContact CD1-CD2 4.03Å; L187-F271 HydrophobicContact CD1-CG 4.21Å; L187-F271 HydrophobicContact CD2-CD2 3.9Å; L187-F271 HydrophobicContact CD2-CE2 4.26Å; L187-H273 HydrophobicContact CD2-CB 3.98Å
188	Q	91.1	Very high	79.9	Confident	62 Å²	62	57 Å²	57	29%	0.29	33%	0.33	S	S	.	.	S	Bend	trans	-77.8	-34.1	-174.5	-64.8	166.1	-89.5	0	0	111.6	E158 V272 H274 N275 V311	E158-Q188 VanDerWaalsContact O-CG 3.32Å; E158-Q188 WeakPolarHBondContact O-CG 3.49Å; Q188-V272 HydrophobicContact CB-CB 4.37Å; Q188-V272 HydrophobicContact CB-CG1 4.38Å; Q188-V272 PolarHBondContact N-O 2.94Å; Q188-H274 VanDerWaalsContact OE1-N 3.08Å; Q188-N275 PolarHBondContact NE2-OD1 2.87Å; Q188-V311 HydrophobicContact CB-CG1 4.02Å
189	H	91.1	Very high	77.2	Confident	50 Å²	50	58.3 Å²	58.3	23%	0.231	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	148.8	176.2	-174.3	44.5	0	0	0	110.4	F271 V272 V311	H189-F271 CarbonylContact O-C 3.54Å; H189-F271 WeakPolarHBondContact O-CA 3.33Å; H189-F271 WeakPolarHBondContact O-CB 3.22Å; H189-V272 HydrophobicContact CB-CB 4.42Å; H189-V272 HydrophobicContact CB-CG2 4.27Å; H189-V272 PolarHBondContact O-N 3.1Å; H189-V311 HydrophobicContact CB-CG1 3.59Å
190	V	92.3	Very high	74.8	Confident	8 Å²	8	61.4 Å²	61.4	5%	0.048	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.5	179.6	-172.2	0	0	0	0	109.9	L150 L175 L187 I269 A270 F271	L150-V190 HydrophobicContact CD1-CG1 4.37Å; L150-V190 HydrophobicContact CD2-CB 3.94Å; L150-V190 HydrophobicContact CD2-CG1 3.46Å; L150-V190 VanDerWaalsContact CD2-CG1 3.46Å; L175-V190 HydrophobicContact CD2-CG1 3.74Å; L175-V190 HydrophobicContact CD2-CG2 4.29Å; L187-V190 HydrophobicContact CB-CG2 3.93Å; L187-V190 HydrophobicContact CD1-CG2 3.74Å; L187-V190 HydrophobicContact CG-CG2 4.5Å; V190-I269 HydrophobicContact CG1-CG2 3.54Å; V190-A270 WeakPolarHBondContact CA-O 3.2Å; V190-F271 HydrophobicContact CB-CB 4.3Å; V190-F271 HydrophobicContact CG1-CB 4.17Å; V190-F271 HydrophobicContact CG2-CB 3.86Å
191	V	91	Very high	72.7	Confident	30 Å²	30	62 Å²	62	18%	0.182	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.3	178	-73.2	0	0	0	0	111.6	I269 A270 M329 F331	V191-I269 WeakPolarHBondContact O-CA 3.22Å; V191-A270 HydrophobicContact CG2-CB 4.02Å; V191-A270 PolarHBondContact N-O 3.03Å; V191-A270 PolarHBondContact O-N 2.7Å; V191-M329 HydrophobicContact CG2-CE 3.86Å; V191-M329 HydrophobicContact CG2-SD 4.44Å; V191-F331 HydrophobicContact CB-CE2 4.46Å; V191-F331 HydrophobicContact CG2-CD2 4.33Å; V191-F331 HydrophobicContact CG2-CE2 3.82Å
192	W	91.3	Very high	70.2	Confident	29 Å²	29	62.9 Å²	62.9	11%	0.11	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	144.4	167.2	-69.4	107.7	0	0	0	110.4	L141 A143 Y148 L150 V164 I269 V283	L141-W192 PolarHBondContact O-NE1 3.36Å; A143-W192 HydrophobicContact CB-CD2 3.82Å; A143-W192 HydrophobicContact CB-CE3 3.83Å; A143-W192 HydrophobicContact CB-CH2 3.91Å; A143-W192 HydrophobicContact CB-CZ2 3.86Å; A143-W192 HydrophobicContact CB-CZ3 3.88Å; Y148-W192 HydrophobicContact CG-CH2 4.46Å; L150-W192 HydrophobicContact CB-CZ2 3.89Å; V164-W192 HydrophobicContact CG1-CH2 4Å; V164-W192 HydrophobicContact CG1-CZ2 4.34Å; W192-I269 HydrophobicContact CD2-CG1 4.26Å; W192-I269 HydrophobicContact CE3-CD1 4.27Å; W192-I269 HydrophobicContact CE3-CG1 3.54Å; W192-I269 HydrophobicContact CH2-CD1 3.79Å; W192-I269 HydrophobicContact CH2-CG1 4Å; W192-I269 HydrophobicContact CZ2-CD1 4.46Å; W192-I269 HydrophobicContact CZ3-CD1 3.69Å; W192-I269 HydrophobicContact CZ3-CG1 3.39Å; W192-V283 HydrophobicContact CH2-CG2 3.74Å; W192-V283 HydrophobicContact CZ3-CG2 3.74Å
193	A	88.8	Confident	67.8	Low	0 Å²	0	61.9 Å²	61.9	0%	0	38%	0.381	C	S	.	.			trans	-68.7	148.7	163.3	0	0	0	0	0	110.4	P144 L265 A268 F331	P144-A193 VanDerWaalsContact CG-O 3.29Å; P144-A193 WeakPolarHBondContact CG-O 3.43Å; A193-L265 WeakPolarHBondContact CB-O 3.36Å; A193-A268 HydrophobicContact CB-CB 3.92Å; A193-A268 PolarHBondContact N-O 2.87Å; A193-F331 HydrophobicContact CB-CD1 4.11Å; A193-F331 HydrophobicContact CB-CD2 4.31Å; A193-F331 HydrophobicContact CB-CE1 3.79Å; A193-F331 HydrophobicContact CB-CE2 3.99Å; A193-F331 HydrophobicContact CB-CG 4.36Å; A193-F331 HydrophobicContact CB-CZ 3.72Å
194	P	84.4	Confident	65.2	Low	37 Å²	37	61.5 Å²	61.5	24%	0.24	39%	0.389	C	S	.	.			trans	-70.2	174.3	-179	27.8	-33.6	0	0	0	113.1	F331 S332	P194-F331 HydrophobicContact CG-CB 4.23Å; P194-S332 VanDerWaalsContact CG-O 3.26Å; P194-S332 WeakPolarHBondContact CG-O 3.48Å
195	A	69.3	Low	62.6	Low	49 Å²	49	67.1 Å²	67.1	41%	0.405	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-73.7	126.2	174.3	0	0	0	0	0	111.1	P144 P197	P144-A195 HydrophobicContact CB-CB 3.83Å; A195-P197 WeakPolarHBondContact O-CD 3.5Å
196	N	56.5	Low	59.8	Low	48 Å²	48	71.8 Å²	71.8	26%	0.257	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-59.2	124.6	171.4	-75.3	-1.5	0	0	0	110.5	Y263 L265 N266 D334	N196-Y263 PolarHBondContact ND2-O 2.89Å; N196-L265 PolarHBondContact ND2-N 3.21Å; N196-L265 WeakPolarHBondContact OD1-CB 3.46Å; N196-N266 PolarHBondContact N-OD1 3.08Å; N196-D334 PolarHBondContact OD1-O 2.7Å
197	P	40.3	Very low	57	Low	79 Å²	79	74.6 Å²	74.6	51%	0.513	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-60.5	147.2	157.3	28	-32.9	0	0	0	108.7	A195 D334	A195-P197 WeakPolarHBondContact O-CD 3.5Å; P197-D334 HydrophobicContact CG-CB 4.41Å
198	P	29.7	Very low	54	Low	117 Å²	117	78.6 Å²	78.6	76%	0.76	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-59.8	138.7	177.7	25.8	-33.8	0	0	0	109.7
199	P	29.8	Very low	51	Low	114 Å²	114	80.6 Å²	80.6	74%	0.74	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-58.2	138.7	179.7	24.9	-34.1	0	0	0	109.6	L201	P199-L201 PolarHBondContact O-N 2.84Å
200	P	29.4	Very low	48.1	Very low	128 Å²	128	84.3 Å²	84.3	83%	0.831	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-56.4	128.2	-176.9	22.7	-33.3	0	0	0	109.7	G202	P200-G202 PolarHBondContact O-N 2.88Å
201	L	29.7	Very low	45	Very low	176 Å²	176	87.3 Å²	87.3	92%	0.921	62%	0.617	S	S	*	*			trans	-52.7	113.4	-177.9	-76.2	167.5	0	0	0	109.5	P199 A203	P199-L201 PolarHBondContact O-N 2.84Å; L201-A203 PolarHBondContact O-N 2.86Å
202	G	30	Very low	42	Very low	70 Å²	70	91.4 Å²	91.4	72%	0.722	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-54.2	135.3	-179.8	0	0	0	0	0	110.2	P200	P200-G202 PolarHBondContact O-N 2.88Å
203	A	29.5	Very low	39	Very low	91 Å²	91	95.9 Å²	95.9	75%	0.752	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-51.4	137.7	-176.8	0	0	0	0	0	110.7	L201	L201-A203 PolarHBondContact O-N 2.86Å
204	P	31.2	Very low	36	Very low	114 Å²	114	99.8 Å²	99.8	74%	0.74	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-58.2	140.3	-177.6	24.7	-34.2	0	0	0	109.9
205	P	33.4	Very low	33.4	Very low	119 Å²	119	102.6 Å²	102.6	77%	0.773	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-59.8	138.6	179.2	25.9	-34.1	0	0	0	109.5	S207	P205-S207 PolarHBondContact O-N 3.21Å
206	P	32.8	Very low	31.4	Very low	126 Å²	126	106.5 Å²	106.5	82%	0.818	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-60.3	124.2	-178.6	24.5	-33.5	0	0	0	110	G208	P206-G208 PolarHBondContact O-N 2.82Å
207	S	32.8	Very low	30	Very low	120 Å²	120	108 Å²	108	84%	0.839	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-57.9	123.8	175.8	53.4	0	0	0	0	109.9	P205	P205-S207 PolarHBondContact O-N 3.21Å
208	G	29.3	Very low	29.3	Very low	83 Å²	83	109.3 Å²	109.3	86%	0.856	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-64.1	139.5	-170.9	0	0	0	0	0	114.2	P206	P206-G208 PolarHBondContact O-N 2.82Å
209	A	29.5	Very low	29.2	Very low	105 Å²	105	108.7 Å²	108.7	87%	0.868	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-103.1	118.7	164.1	0	0	0	0	0	109.2
210	S	29.7	Very low	29	Very low	127 Å²	127	109.4 Å²	109.4	89%	0.888	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-90	130.2	176.9	55.4	0	0	0	0	111.4
211	G	27.5	Very low	29	Very low	72 Å²	72	109.3 Å²	109.3	74%	0.742	82%	0.823	S	S	*	*			trans	167.2	132.3	164.2	0	0	0	0	0	118
212	A	27.9	Very low	28.9	Very low	116 Å²	116	107.1 Å²	107.1	96%	0.959	82%	0.817	S	S	*	*			trans	76.4	145.7	158.2	0	0	0	0	0	119.7
213	S	27.8	Very low	28.7	Very low	123 Å²	123	112.8 Å²	112.8	86%	0.86	83%	0.827	S	S	*	*			trans	-117.7	146.1	-171.4	53.9	0	0	0	0	112.1
214	G	26.6	Very low	28.6	Very low	81 Å²	81	113 Å²	113	84%	0.835	83%	0.828	S	S	*	*			trans	-152.8	151.6	168.4	0	0	0	0	0	110.3
215	A	27.9	Very low	29	Very low	96 Å²	96	113.5 Å²	113.5	79%	0.793	83%	0.832	S	S	*	*			trans	-138.6	159.2	-165.1	0	0	0	0	0	114.9
216	S	28.1	Very low	28.9	Very low	132 Å²	132	115.3 Å²	115.3	92%	0.923	83%	0.834	S	S	*	*			trans	73.7	146.4	162.3	75.6	0	0	0	0	119.4
217	G	26.9	Very low	29.2	Very low	80 Å²	80	115.3 Å²	115.3	83%	0.825	83%	0.834	S	S	*	*			trans	145	121.1	176.8	0	0	0	0	0	111.4
218	A	26.8	Very low	29	Very low	106 Å²	106	115.4 Å²	115.4	88%	0.876	84%	0.835	S	S	*	*			trans	-153.3	140.5	-172.9	0	0	0	0	0	115.1
219	S	27.6	Very low	28.9	Very low	103 Å²	103	115.2 Å²	115.2	72%	0.72	83%	0.833	S	S	*	*			trans	-171.7	125.8	163.3	52.6	0	0	0	0	108.1
220	T	25.8	Very low	28.9	Very low	129 Å²	129	115.3 Å²	115.3	79%	0.791	83%	0.827	S	S	*	*				53.4	128.7	67.7	64.6	0	0	0	0	113.7
221	T	27.9	Very low	28.8	Very low	127 Å²	127	116.9 Å²	116.9	78%	0.779	82%	0.824	S	S	*	*			cis	-139.9	-151.9	3	-18.1	0	0	0	0	109.7
222	T	27.2	Very low	28.9	Very low	130 Å²	130	120 Å²	120	80%	0.798	82%	0.822	S	S	*	*			cis	-143.5	-118.4	17.8	-42.9	0	0	0	0	111.7
223	M	27	Very low	28.9	Very low	188 Å²	188	121 Å²	121	93%	0.926	81%	0.811	S	S	*	*			trans	-150.4	173	-176.3	-74.3	-153.3	-154.9	0	0	114.1
224	A	26.2	Very low	28.9	Very low	95 Å²	95	122.4 Å²	122.4	79%	0.785	81%	0.809	S	S	*	*			trans	-81.4	-161.3	178.9	0	0	0	0	0	112.7
225	P	40.8	Very low	29	Very low	126 Å²	126	123.3 Å²	123.3	82%	0.818	80%	0.802	S	S	*	*			cis	-141.2	-172.8	29.3	43.8	-22.4	0	0	0	118
226	L	31.9	Very low	29	Very low	156 Å²	156	127 Å²	127	82%	0.817	81%	0.808	S	S	*	*			trans	-71.5	176	169.2	-69.6	154.5	0	0	0	113.3
227	P	38.5	Very low	29	Very low	127 Å²	127	125.4 Å²	125.4	83%	0.825	80%	0.803	S	S	*	*				-130.6	169	121.4	38.5	-31.9	0	0	0	115.1
228	S	29.3	Very low	29	Very low	121 Å²	121	125.3 Å²	125.3	85%	0.846	80%	0.801	S	S	*	*			trans	-103.9	170.8	-167.4	-44.2	0	0	0	0	114.7
229	G	25.8	Very low	29	Very low	79 Å²	79	125.2 Å²	125.2	81%	0.814	80%	0.801	S	S	*	*			trans	-158.2	123	161.1	0	0	0	0	0	112.3
230	S	29.8	Very low	29	Very low	108 Å²	108	125.2 Å²	125.2	76%	0.755	81%	0.807	S	S	*	*			trans	-164.1	121.4	-171.8	57.4	0	0	0	0	114.6
231	I	28.8	Very low	29	Very low	159 Å²	159	127.2 Å²	127.2	82%	0.815	81%	0.812	S	S	*	*			trans	-175.4	150.5	171.8	36.4	169.2	0	0	0	106.8
232	I	28.6	Very low	28.9	Very low	138 Å²	138	124.5 Å²	124.5	71%	0.708	81%	0.81	S	S	*	*			cis	-133.1	145.9	-2.7	-72.4	-55.7	0	0	0	105.6
233	L	27.7	Very low	29.2	Very low	137 Å²	137	124.8 Å²	124.8	72%	0.717	81%	0.814	S	S	*	*			cis	94.5	136.2	28.1	-86.6	172.2	0	0	0	117.5
234	N	28.7	Very low	29.2	Very low	153 Å²	153	120.6 Å²	120.6	82%	0.818	81%	0.809	S	S	*	*			trans	68.1	151.8	167	-66.6	-12.3	0	0	0	118.7
235	S	27.9	Very low	29.1	Very low	99 Å²	99	122.2 Å²	122.2	69%	0.692	82%	0.815	S	S	*	*			cis	-171.2	147.7	-16.1	169.1	0	0	0	0	109.6
236	L	28.3	Very low	28.4	Very low	174 Å²	174	121.4 Å²	121.4	91%	0.911	82%	0.819	S	S	*	*			trans	-169.8	156.8	137.5	-105.9	165.5	0	0	0	110.7
237	A	28.4	Very low	28	Very low	99 Å²	99	117.9 Å²	117.9	82%	0.818	82%	0.82	S	S	*	*			trans	-151	160.6	-168.8	0	0	0	0	0	113.5
238	G	25.6	Very low	27.4	Very low	77 Å²	77	116.6 Å²	116.6	79%	0.794	82%	0.82	S	S	*	*			trans	155.2	141.7	171.1	0	0	0	0	0	113.5
239	A	27.4	Very low	27.2	Very low	105 Å²	105	116.9 Å²	116.9	87%	0.868	82%	0.822	S	S	*	*				178.2	123.7	-55.7	0	0	0	0	0	108.8
240	A	26.9	Very low	27.2	Very low	102 Å²	102	116.4 Å²	116.4	84%	0.843	82%	0.817	S	S	*	*			trans	-162.5	139.6	164.3	0	0	0	0	0	110.9
241	N	27.1	Very low	26.9	Very low	171 Å²	171	117 Å²	117	91%	0.914	82%	0.821	S	S	*	*			trans	-100.5	141.3	173.9	-59.9	-52.8	0	0	0	108.8
242	G	25	Very low	26.7	Very low	70 Å²	70	115.4 Å²	115.4	72%	0.722	82%	0.824	S	S	*	*				107.4	176.8	78.8	0	0	0	0	0	109.7
243	P	34.5	Very low	26.6	Very low	136 Å²	136	113.3 Å²	113.3	88%	0.883	83%	0.828	S	S	*	*			cis	-115.6	-167.3	-4	42.4	-29.6	0	0	0	112.6
244	A	25.1	Very low	26.6	Very low	101 Å²	101	112.8 Å²	112.8	84%	0.835	83%	0.832	S	S	*	*			trans	-105.1	160	178.8	0	0	0	0	0	113.8
245	S	26.1	Very low	26.6	Very low	128 Å²	128	111.7 Å²	111.7	90%	0.895	83%	0.826	S	S	*	*			trans	-142.2	162.9	160	66.1	0	0	0	0	109.8
246	A	25.1	Very low	26.7	Very low	110 Å²	110	112.6 Å²	112.6	91%	0.909	83%	0.83	S	S	*	*			trans	-123.1	150.7	-164.3	0	0	0	0	0	114.1
247	G	24.2	Very low	26.6	Very low	81 Å²	81	110.8 Å²	110.8	84%	0.835	82%	0.822	S	S	*	*			trans	-173.1	135.4	170.3	0	0	0	0	0	110.1
248	A	24.6	Very low	26.6	Very low	100 Å²	100	110 Å²	110	83%	0.826	82%	0.822	S	S	*	*			trans	-141	142.8	-170.7	0	0	0	0	0	112.9
249	S	25.6	Very low	26.7	Very low	127 Å²	127	115.9 Å²	115.9	89%	0.888	83%	0.826	S	S	*	*			trans	177	151.6	146.4	46.9	0	0	0	0	112.7
250	G	25	Very low	26.8	Very low	69 Å²	69	115.9 Å²	115.9	71%	0.711	83%	0.826	S	S	*	*			trans	72.6	72.3	153	0	0	0	0	0	118.4
251	S	23.6	Very low	26.9	Very low	121 Å²	121	114 Å²	114	85%	0.846	82%	0.817	S	S	*	*				70.9	95.6	66.3	84.6	0	0	0	0	117.3
252	S	25.6	Very low	27.3	Very low	125 Å²	125	109.2 Å²	109.2	87%	0.874	81%	0.808	S	S	*	*			trans	-157.8	140.8	130.1	56	0	0	0	0	109.4
253	A	26.1	Very low	28.3	Very low	94 Å²	94	111.7 Å²	111.7	78%	0.777	80%	0.796	S	S	*	*			trans	-105.1	141.4	-173.8	0	0	0	0	0	111.6
254	P	28.4	Very low	29.3	Very low	126 Å²	126	110.5 Å²	110.5	82%	0.818	78%	0.783	S	S	*	*			trans	-71.4	136	175.8	29.2	-33.6	0	0	0	111.5
255	N	27.1	Very low	31	Very low	130 Å²	130	106.2 Å²	106.2	70%	0.695	75%	0.746	S	S	*	*			trans	-72.1	127	-177.3	-173.6	-2.3	0	0	0	111.1	N257	N255-N257 VanDerWaalsContact C-N 3.25Å; N255-N257 PolarHBondContact O-N 2.94Å
256	P	30.1	Very low	33	Very low	119 Å²	119	101.7 Å²	101.7	77%	0.773	71%	0.711	S	S	*	*	S	Bend	trans	-77	68.6	-176.2	32.8	-37.6	0	0	0	112.8
257	N	27.7	Very low	35.7	Very low	136 Å²	136	98.1 Å²	98.1	73%	0.727	68%	0.676	S	S	*	*			trans	-138.9	58.6	170.9	-96	-59.4	0	0	0	110.7	N255 K259	N255-N257 VanDerWaalsContact C-N 3.25Å; N255-N257 PolarHBondContact O-N 2.94Å; N257-K259 PolarHBondContact O-N 2.86Å
258	G	28.4	Very low	38.8	Very low	81 Å²	81	94.2 Å²	94.2	84%	0.835	64%	0.636	S	S	*	*			trans	-68.9	87.2	176	0	0	0	0	0	112.1	A260	G258-A260 PolarHBondContact O-N 2.78Å
259	K	27.8	Very low	42.1	Very low	201 Å²	201	89.5 Å²	89.5	87%	0.874	60%	0.597	S	S	*	*			trans	-55.8	132.8	158.4	-70.8	-175	177.9	-178	0	108	N257 G261	N257-K259 PolarHBondContact O-N 2.86Å; K259-G261 PolarHBondContact O-N 3.28Å
260	A	28.4	Very low	45.3	Very low	105 Å²	105	83.5 Å²	83.5	87%	0.868	55%	0.554	S	S	*	*			trans	-61.8	105.9	171.3	0	0	0	0	0	108.9	G258 G262	G258-A260 PolarHBondContact O-N 2.78Å; A260-G262 PolarHBondContact O-N 3.41Å
261	G	29.1	Very low	48.7	Very low	64 Å²	64	80.2 Å²	80.2	66%	0.66	52%	0.521	S	S	*	.			trans	-71.1	110.2	178.1	0	0	0	0	0	109.7	K259 Y263	K259-G261 PolarHBondContact O-N 3.28Å; G261-Y263 PolarHBondContact O-N 2.82Å
262	G	36.8	Very low	52	Low	69 Å²	69	74.4 Å²	74.4	71%	0.711	48%	0.48	S	S	*	.			trans	-58	135.6	171.7	0	0	0	0	0	110.6	A260	A260-G262 PolarHBondContact O-N 3.41Å
263	Y	45.7	Very low	55.2	Low	123 Å²	123	69.6 Å²	69.6	48%	0.482	44%	0.444	S	S	.	.			trans	-74.2	128.6	173.3	-63.4	-90.2	0	0	0	109.1	N196 G261 L265 I390	N196-Y263 PolarHBondContact ND2-O 2.89Å; G261-Y263 PolarHBondContact O-N 2.82Å; Y263-L265 PolarHBondContact O-N 3.07Å; Y263-L265 VanDerWaalsContact O-N 3.12Å; Y263-I390 HydrophobicContact CE1-CD1 4.01Å; Y263-I390 HydrophobicContact CE2-CD1 4.31Å
264	N	54.5	Low	58.2	Low	111 Å²	111	70.3 Å²	70.3	59%	0.594	43%	0.431	S	S	*	.			trans	-74.3	97.3	167	-67.2	-12.6	0	0	0	107.6	N266	N264-N266 PolarHBondContact O-N 2.97Å
265	L	60.1	Low	61.2	Low	11 Å²	11	64.9 Å²	64.9	6%	0.058	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-75.1	-11	-175.2	-55.1	167.8	0	0	0	112.4	A193 N196 Y263 Q267 A268 Y279 L336	A193-L265 WeakPolarHBondContact CB-O 3.36Å; N196-L265 PolarHBondContact ND2-N 3.21Å; N196-L265 WeakPolarHBondContact OD1-CB 3.46Å; Y263-L265 PolarHBondContact O-N 3.07Å; Y263-L265 VanDerWaalsContact O-N 3.12Å; L265-Q267 PolarHBondContact O-N 3.36Å; L265-A268 WeakPolarHBondContact O-CB 3.24Å; L265-A268 PolarHBondContact O-N 3.41Å; L265-Y279 WeakPolarHBondContact CD2-OH 3.32Å; L265-L336 HydrophobicContact CD1-CD2 3.73Å
266	N	68.9	Low	64.4	Low	33 Å²	33	58.8 Å²	58.8	18%	0.176	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-56.5	-0.9	175.3	-43.4	44.2	0	0	0	114.9	D145 N196 N264	D145-N266 HydrophobicContact CB-CB 4.19Å; N196-N266 PolarHBondContact N-OD1 3.08Å; N264-N266 PolarHBondContact O-N 2.97Å
267	Q	82.5	Confident	67.4	Low	34 Å²	34	53.1 Å²	53.1	16%	0.159	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-128.7	9.5	179.5	-61.4	-176.7	-17.1	0	0	112.5	D145 Y148 L265 V283	D145-Q267 PolarHBondContact OD2-NE2 2.59Å; Y148-Q267 HydrophobicContact CD2-CG 4.47Å; Y148-Q267 HydrophobicContact CE2-CG 4.2Å; L265-Q267 PolarHBondContact O-N 3.36Å; Q267-V283 PolarHBondContact O-N 2.74Å
268	A	89.8	Confident	70.6	Confident	0 Å²	0	48 Å²	48	0%	0	30%	0.296	C	S	.	.			trans	-89.8	149.3	-179.6	0	0	0	0	0	111.4	A193 L265 Y279 K280	A193-A268 HydrophobicContact CB-CB 3.92Å; A193-A268 PolarHBondContact N-O 2.87Å; L265-A268 WeakPolarHBondContact O-CB 3.24Å; L265-A268 PolarHBondContact O-N 3.41Å; A268-Y279 HydrophobicContact CB-CE2 3.68Å; A268-Y279 WeakPolarHBondContact CB-OH 3.31Å; A268-K280 CarbonylContact C-O 3.49Å; A268-K280 VanDerWaalsContact CA-O 3.28Å; A268-K280 WeakPolarHBondContact CA-O 3.33Å
269	I	92.6	Very high	73.8	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.1	-176.9	-54.7	171.2	0	0	0	108.5	V164 L175 V190 V191 W192 F271 Y279 K280 V283	V164-I269 HydrophobicContact CG2-CD1 4.06Å; L175-I269 HydrophobicContact CD1-CD1 4.09Å; L175-I269 HydrophobicContact CD2-CD1 4.39Å; L175-I269 HydrophobicContact CD2-CG2 4.01Å; V190-I269 HydrophobicContact CG1-CG2 3.54Å; V191-I269 WeakPolarHBondContact O-CA 3.22Å; W192-I269 HydrophobicContact CD2-CG1 4.26Å; W192-I269 HydrophobicContact CE3-CD1 4.27Å; W192-I269 HydrophobicContact CE3-CG1 3.54Å; W192-I269 HydrophobicContact CH2-CD1 3.79Å; W192-I269 HydrophobicContact CH2-CG1 4Å; W192-I269 HydrophobicContact CZ2-CD1 4.46Å; W192-I269 HydrophobicContact CZ3-CD1 3.69Å; W192-I269 HydrophobicContact CZ3-CG1 3.39Å; I269-F271 HydrophobicContact CG2-CD1 4.24Å; I269-Y279 CarbonylContact O-C 3.59Å; I269-Y279 WeakPolarHBondContact O-CA 3.5Å; I269-Y279 WeakPolarHBondContact O-CD2 3.31Å; I269-K280 PolarHBondContact N-O 3.01Å; I269-K280 PolarHBondContact O-N 3.09Å; I269-V283 HydrophobicContact CD1-CG2 4.43Å
270	A	94.2	Very high	76.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.9	159.4	0	0	0	0	0	109.9	V190 V191 Y278 Y279 M329 F331 L338	V190-A270 WeakPolarHBondContact CA-O 3.2Å; V191-A270 HydrophobicContact CG2-CB 4.02Å; V191-A270 PolarHBondContact N-O 3.03Å; V191-A270 PolarHBondContact O-N 2.7Å; A270-Y278 CarbonylContact C-O 3.53Å; A270-Y278 VanDerWaalsContact CA-O 3.27Å; A270-Y278 WeakPolarHBondContact CA-O 3.41Å; A270-Y279 HydrophobicContact CB-CD2 4.4Å; A270-M329 HydrophobicContact CB-SD 4.06Å; A270-F331 HydrophobicContact CB-CE2 3.98Å; A270-F331 HydrophobicContact CB-CZ 3.64Å; A270-L338 HydrophobicContact CB-CD2 3.83Å
271	F	94.7	Very high	79.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.8	-179.7	60.6	-89.7	0	0	0	112.2	L175 G176 P177 L187 H189 V190 I269 I277 Y278 K280 V288	L175-F271 HydrophobicContact CD1-CD1 4.2Å; L175-F271 HydrophobicContact CD1-CE1 4.02Å; L175-F271 HydrophobicContact CD2-CD1 4.29Å; L175-F271 HydrophobicContact CG-CD1 4.35Å; L175-F271 HydrophobicContact CG-CE1 4.46Å; G176-F271 WeakPolarHBondContact O-CZ 3.5Å; P177-F271 HydrophobicContact CB-CE2 4.49Å; L187-F271 HydrophobicContact CD1-CB 4.2Å; L187-F271 HydrophobicContact CD1-CD2 4.03Å; L187-F271 HydrophobicContact CD1-CG 4.21Å; L187-F271 HydrophobicContact CD2-CD2 3.9Å; L187-F271 HydrophobicContact CD2-CE2 4.26Å; H189-F271 CarbonylContact O-C 3.54Å; H189-F271 WeakPolarHBondContact O-CA 3.33Å; H189-F271 WeakPolarHBondContact O-CB 3.22Å; V190-F271 HydrophobicContact CB-CB 4.3Å; V190-F271 HydrophobicContact CG1-CB 4.17Å; V190-F271 HydrophobicContact CG2-CB 3.86Å; I269-F271 HydrophobicContact CG2-CD1 4.24Å; F271-I277 CarbonylContact O-C 3.57Å; F271-I277 WeakPolarHBondContact O-CA 3.43Å; F271-Y278 HydrophobicContact CD2-CD2 4.48Å; F271-Y278 HydrophobicContact CD2-CG 4.41Å; F271-Y278 VanDerWaalsContact CE2-CB 3.46Å; F271-Y278 HydrophobicContact CE2-CD1 4.43Å; F271-Y278 HydrophobicContact CE2-CD2 4.14Å; F271-Y278 AromaticContact CE2-CG 3.79Å; F271-Y278 HydrophobicContact CE2-CG 3.79Å; F271-Y278 VanDerWaalsContact CZ-CB 3.43Å; F271-Y278 HydrophobicContact CZ-CD1 4.47Å; F271-Y278 HydrophobicContact CZ-CG 4.06Å; F271-Y278 PolarHBondContact N-O 2.87Å; F271-Y278 PolarHBondContact O-N 3.46Å; F271-K280 HydrophobicContact CE1-CB 4.42Å; F271-V288 HydrophobicContact CE1-CG1 4.25Å; F271-V288 HydrophobicContact CZ-CG1 3.89Å
272	V	93.9	Very high	82.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.6	-179.9	-173.2	0	0	0	0	110.2	Q188 H189 D276 I277 N309 V311 M329	Q188-V272 HydrophobicContact CB-CB 4.37Å; Q188-V272 HydrophobicContact CB-CG1 4.38Å; Q188-V272 PolarHBondContact N-O 2.94Å; H189-V272 HydrophobicContact CB-CB 4.42Å; H189-V272 HydrophobicContact CB-CG2 4.27Å; H189-V272 PolarHBondContact O-N 3.1Å; V272-D276 WeakPolarHBondContact CA-O 3.03Å; V272-I277 HydrophobicContact CG2-CG1 4.22Å; V272-N309 WeakPolarHBondContact CG1-O 3.39Å; V272-V311 HydrophobicContact CB-CG1 4.01Å; V272-V311 HydrophobicContact CG1-CG1 4.01Å; V272-V311 HydrophobicContact CG1-CG2 4.03Å; V272-V311 HydrophobicContact CG2-CG1 4.07Å; V272-M329 HydrophobicContact CG2-CE 3.74Å
273	H	91.9	Very high	84.9	Confident	24 Å²	24	29.5 Å²	29.5	11%	0.111	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	125.3	-179.3	172.4	-84.8	0	0	0	109	L187 N275 D276 Y278	L187-H273 HydrophobicContact CD2-CB 3.98Å; H273-N275 VanDerWaalsContact C-N 3.29Å; H273-N275 PolarHBondContact O-N 3.11Å; H273-D276 PolarHBondContact N-O 3.45Å; H273-D276 PolarHBondContact O-N 2.81Å; H273-Y278 HydrophobicContact CB-CD2 4.22Å; H273-Y278 HydrophobicContact CB-CE2 4.01Å
274	H	89.8	Confident	86.7	Confident	109 Å²	109	29.5 Å²	29.5	51%	0.505	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	46.2	-175.1	-65.3	172.5	0	0	0	112.8	Q188 D276	Q188-H274 VanDerWaalsContact OE1-N 3.08Å; H274-D276 PolarHBondContact O-N 2.03Å; H274-D276 VanDerWaalsContact O-N 3.13Å
275	N	91.2	Very high	87.9	Confident	11 Å²	11	25.3 Å²	25.3	6%	0.059	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	10.3	179.8	-60.3	-29.5	0	0	0	115.8	Q188 H273 S296 V307 F308 N309	Q188-N275 PolarHBondContact NE2-OD1 2.87Å; H273-N275 VanDerWaalsContact C-N 3.29Å; H273-N275 PolarHBondContact O-N 3.11Å; N275-S296 PolarHBondContact ND2-O 3.16Å; N275-V307 VanDerWaalsContact CB-O 3.3Å; N275-V307 WeakPolarHBondContact CB-O 2.7Å; N275-F308 VanDerWaalsContact OD1-CD1 3.28Å; N275-F308 WeakPolarHBondContact OD1-CD1 3.29Å; N275-N309 WeakPolarHBondContact O-CB 2.72Å; N275-N309 PolarHBondContact O-N 2.85Å; N275-N309 VanDerWaalsContact O-N 3.16Å; N275-N309 PolarHBondContact O-ND2 2.86Å
276	D	93.3	Very high	89	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.1	173.4	-88.6	-31.9	0	0	0	112.6	V272 H273 H274 Y278 R290 T292 Q293 T294 G295 N309	V272-D276 WeakPolarHBondContact CA-O 3.03Å; H273-D276 PolarHBondContact N-O 3.45Å; H273-D276 PolarHBondContact O-N 2.81Å; H274-D276 PolarHBondContact O-N 2.03Å; H274-D276 VanDerWaalsContact O-N 3.13Å; D276-Y278 HydrophobicContact CB-CE2 4.17Å; D276-Y278 WeakPolarHBondContact O-CD2 3.03Å; D276-R290 IonicContact OD2-CZ 2.85Å; D276-R290 IonicContact OD2-NE 3.98Å; D276-R290 PolarHBondContact OD2-NE 2.84Å; D276-R290 IonicContact OD2-NH2 2.65Å; D276-R290 PolarHBondContact OD2-NH2 3.27Å; D276-T292 VanDerWaalsContact CA-OG1 3.24Å; D276-T292 WeakPolarHBondContact CA-OG1 3.27Å; D276-T292 WeakPolarHBondContact CB-OG1 3.19Å; D276-T292 VanDerWaalsContact CG-C 3.4Å; D276-T292 VanDerWaalsContact CG-OG1 3.29Å; D276-T292 WeakPolarHBondContact OD1-CB 3.43Å; D276-T292 PolarHBondContact OD1-OG1 3.36Å; D276-Q293 PolarHBondContact OD1-N 2.82Å; D276-Q293 VanDerWaalsContact OD2-CA 3.28Å; D276-Q293 WeakPolarHBondContact OD2-CA 3.3Å; D276-T294 PolarHBondContact OD1-N 3.05Å; D276-T294 VanDerWaalsContact OD1-N 3.16Å; D276-G295 PolarHBondContact OD1-N 3Å; D276-G295 PolarHBondContact OD2-N 2.86Å; D276-N309 PolarHBondContact OD1-ND2 3.02Å
277	I	95.1	Very high	90	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.9	-178.5	-44.9	179.5	0	0	0	110	F271 V272 I291 T292 N309 M329 L338 F340	F271-I277 CarbonylContact O-C 3.57Å; F271-I277 WeakPolarHBondContact O-CA 3.43Å; V272-I277 HydrophobicContact CG2-CG1 4.22Å; I277-I291 HydrophobicContact CB-CB 4.32Å; I277-I291 HydrophobicContact CB-CD1 4.31Å; I277-I291 HydrophobicContact CG2-CD1 3.75Å; I277-I291 WeakPolarHBondContact O-CB 3.41Å; I277-I291 PolarHBondContact O-N 3.09Å; I277-T292 HydrophobicContact CG1-CG2 4.42Å; I277-T292 PolarHBondContact N-OG1 2.83Å; I277-N309 HydrophobicContact CD1-CB 4.11Å; I277-N309 HydrophobicContact CG1-CB 3.86Å; I277-M329 HydrophobicContact CD1-SD 4.19Å; I277-M329 HydrophobicContact CG2-SD 3.61Å; I277-L338 HydrophobicContact CG2-CD2 4.38Å; I277-F340 HydrophobicContact CD1-CB 3.75Å; I277-F340 HydrophobicContact CD1-CD1 3.77Å; I277-F340 HydrophobicContact CD1-CD2 3.38Å; I277-F340 HydrophobicContact CD1-CE1 4.14Å; I277-F340 HydrophobicContact CD1-CE2 3.77Å; I277-F340 HydrophobicContact CD1-CG 3.36Å; I277-F340 HydrophobicContact CD1-CZ 4.13Å
278	Y	94.7	Very high	90.4	Very high	29 Å²	29	35.4 Å²	35.4	11%	0.114	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.2	175.2	-67.2	-107.3	0	0	0	109.9	P177 A270 F271 H273 D276 V288 C289 R290	P177-Y278 HydrophobicContact CB-CD1 3.87Å; P177-Y278 HydrophobicContact CB-CE1 3.42Å; P177-Y278 VanDerWaalsContact CB-CE1 3.42Å; P177-Y278 HydrophobicContact CB-CE2 4.42Å; A270-Y278 CarbonylContact C-O 3.53Å; A270-Y278 VanDerWaalsContact CA-O 3.27Å; A270-Y278 WeakPolarHBondContact CA-O 3.41Å; F271-Y278 HydrophobicContact CD2-CD2 4.48Å; F271-Y278 HydrophobicContact CD2-CG 4.41Å; F271-Y278 VanDerWaalsContact CE2-CB 3.46Å; F271-Y278 HydrophobicContact CE2-CD1 4.43Å; F271-Y278 HydrophobicContact CE2-CD2 4.14Å; F271-Y278 AromaticContact CE2-CG 3.79Å; F271-Y278 HydrophobicContact CE2-CG 3.79Å; F271-Y278 VanDerWaalsContact CZ-CB 3.43Å; F271-Y278 HydrophobicContact CZ-CD1 4.47Å; F271-Y278 HydrophobicContact CZ-CG 4.06Å; F271-Y278 PolarHBondContact N-O 2.87Å; F271-Y278 PolarHBondContact O-N 3.46Å; H273-Y278 HydrophobicContact CB-CD2 4.22Å; H273-Y278 HydrophobicContact CB-CE2 4.01Å; D276-Y278 HydrophobicContact CB-CE2 4.17Å; D276-Y278 WeakPolarHBondContact O-CD2 3.03Å; Y278-V288 HydrophobicContact CD1-CG1 3.94Å; Y278-C289 CarbonylContact C-O 3.58Å; Y278-C289 WeakPolarHBondContact CA-O 3.34Å; Y278-R290 HydrophobicContact CD1-CB 3.88Å; Y278-R290 HydrophobicContact CD1-CG 4.34Å; Y278-R290 HydrophobicContact CE1-CB 3.75Å; Y278-R290 HydrophobicContact CE1-CG 3.96Å; Y278-R290 HydrophobicContact CE2-CG 4.42Å
279	Y	94.1	Very high	90.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.4	179.9	175.7	-114.7	0	0	0	110.6	L265 A268 I269 A270 P281 C289 F331 L387 I393	L265-Y279 WeakPolarHBondContact CD2-OH 3.32Å; A268-Y279 HydrophobicContact CB-CE2 3.68Å; A268-Y279 WeakPolarHBondContact CB-OH 3.31Å; I269-Y279 CarbonylContact O-C 3.59Å; I269-Y279 WeakPolarHBondContact O-CA 3.5Å; I269-Y279 WeakPolarHBondContact O-CD2 3.31Å; A270-Y279 HydrophobicContact CB-CD2 4.4Å; Y279-P281 HydrophobicContact CD1-CG 3.98Å; Y279-P281 HydrophobicContact CE1-CB 4.05Å; Y279-P281 HydrophobicContact CE1-CG 3.67Å; Y279-C289 PolarHBondContact N-O 3.25Å; Y279-C289 PolarHBondContact O-N 2.96Å; Y279-F331 HydrophobicContact CD2-CE1 4.4Å; Y279-F331 HydrophobicContact CD2-CZ 4.34Å; Y279-F331 AromaticContact CE2-CE1 3.98Å; Y279-F331 HydrophobicContact CE2-CE1 3.98Å; Y279-F331 HydrophobicContact CE2-CZ 4.14Å; Y279-L387 HydrophobicContact CD1-CD2 3.93Å; Y279-L387 HydrophobicContact CD2-CD1 4.17Å; Y279-L387 HydrophobicContact CE1-CB 4.26Å; Y279-L387 HydrophobicContact CE1-CD1 4.25Å; Y279-L387 HydrophobicContact CE1-CD2 4.03Å; Y279-L387 HydrophobicContact CE1-CG 4.42Å; Y279-L387 HydrophobicContact CE2-CD1 3.76Å; Y279-L387 HydrophobicContact CG-CD2 4.22Å; Y279-I393 HydrophobicContact CD1-CD1 3.97Å; Y279-I393 HydrophobicContact CE1-CD1 4.46Å
280	K	91.9	Very high	90.5	Very high	14 Å²	14	41.7 Å²	41.7	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.9	176.3	-177.2	163.5	-170.4	164	0	108.6	L175 E179 A268 I269 F271 K282 V283 G285 V288	L175-K280 HydrophobicContact CD1-CD 4.41Å; E179-K280 WeakPolarHBondContact OE1-CE 3.45Å; E179-K280 IonicContact OE1-NZ 3.57Å; E179-K280 PolarHBondContact OE1-NZ 2.88Å; E179-K280 IonicContact OE2-NZ 3.99Å; E179-K280 PolarHBondContact OE2-NZ 2.85Å; A268-K280 CarbonylContact C-O 3.49Å; A268-K280 VanDerWaalsContact CA-O 3.28Å; A268-K280 WeakPolarHBondContact CA-O 3.33Å; I269-K280 PolarHBondContact N-O 3.01Å; I269-K280 PolarHBondContact O-N 3.09Å; F271-K280 HydrophobicContact CE1-CB 4.42Å; K280-K282 WeakPolarHBondContact CE-O 3.48Å; K280-K282 WeakPolarHBondContact CG-O 3.43Å; K280-K282 PolarHBondContact O-N 3.47Å; K280-V283 WeakPolarHBondContact CE-O 3.38Å; K280-V283 PolarHBondContact NZ-O 3.17Å; K280-G285 WeakPolarHBondContact CE-O 3.42Å; K280-G285 PolarHBondContact NZ-O 3.15Å; K280-V288 HydrophobicContact CB-CG2 4.35Å; K280-V288 HydrophobicContact CD-CG2 4.04Å; K280-V288 HydrophobicContact CG-CG2 4.27Å
281	P	89.4	Confident	90.5	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.039	20%	0.203	C	C	.	.	S	Bend	trans	-68.5	-15.4	-172.2	-20.7	32.1	0	0	0	115.5	Y279 L287 I390	Y279-P281 HydrophobicContact CD1-CG 3.98Å; Y279-P281 HydrophobicContact CE1-CB 4.05Å; Y279-P281 HydrophobicContact CE1-CG 3.67Å; P281-L287 VanDerWaalsContact CD-O 3.23Å; P281-L287 WeakPolarHBondContact CD-O 3.38Å; P281-L287 HydrophobicContact CG-CD2 4.12Å; P281-I390 HydrophobicContact CB-CD1 4.18Å; P281-I390 HydrophobicContact CG-CD1 3.89Å; P281-I390 HydrophobicContact CG-CG1 4.4Å
282	K	87.6	Confident	90.4	Very high	98 Å²	98	42.3 Å²	42.3	43%	0.426	20%	0.204	S	C	.	.			trans	-152.9	137.6	177.5	-64.3	-175.2	-179.5	-179.9	0	110.2	K280 Q284 G285	K280-K282 WeakPolarHBondContact CE-O 3.48Å; K280-K282 WeakPolarHBondContact CG-O 3.43Å; K280-K282 PolarHBondContact O-N 3.47Å; K282-Q284 PolarHBondContact O-N 3.12Å; K282-G285 PolarHBondContact O-N 2.86Å
283	V	87.1	Confident	90.2	Very high	12 Å²	12	49.8 Å²	49.8	7%	0.073	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-54.6	174.8	-178.6	0	0	0	0	112.5	Y148 V164 W192 Q267 I269 K280 G285	Y148-V283 HydrophobicContact CD1-CB 4.35Å; Y148-V283 HydrophobicContact CD1-CG1 3.93Å; Y148-V283 HydrophobicContact CD1-CG2 4.2Å; Y148-V283 HydrophobicContact CD2-CG2 3.91Å; Y148-V283 HydrophobicContact CE1-CB 3.99Å; Y148-V283 HydrophobicContact CE1-CG1 3.68Å; Y148-V283 HydrophobicContact CE1-CG2 4.28Å; Y148-V283 HydrophobicContact CE2-CB 4.19Å; Y148-V283 HydrophobicContact CE2-CG2 4Å; Y148-V283 HydrophobicContact CG-CG2 3.99Å; V164-V283 HydrophobicContact CB-CG1 4.22Å; V164-V283 HydrophobicContact CG1-CG1 3.69Å; V164-V283 HydrophobicContact CG1-CG2 4.26Å; W192-V283 HydrophobicContact CH2-CG2 3.74Å; W192-V283 HydrophobicContact CZ3-CG2 3.74Å; Q267-V283 PolarHBondContact O-N 2.74Å; I269-V283 HydrophobicContact CD1-CG2 4.43Å; K280-V283 WeakPolarHBondContact CE-O 3.38Å; K280-V283 PolarHBondContact NZ-O 3.17Å; V283-G285 VanDerWaalsContact C-N 3.28Å; V283-G285 PolarHBondContact O-N 2.86Å
284	Q	83.4	Confident	90.1	Very high	124 Å²	124	52.6 Å²	52.6	58%	0.579	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	30.8	-177.8	-67.5	172	-17.3	0	0	113.1	Y148 E166 K282	Y148-Q284 PolarHBondContact OH-NE2 3.01Å; Y148-Q284 PolarHBondContact OH-OE1 2.8Å; E166-Q284 PolarHBondContact OE1-NE2 3.45Å; E166-Q284 PolarHBondContact OE2-NE2 2.72Å; K282-Q284 PolarHBondContact O-N 3.12Å
285	G	80.6	Confident	89.7	Confident	22 Å²	22	48 Å²	48	23%	0.227	24%	0.24	C	C	.	.	S	Bend	trans	-116.1	141.3	175.2	0	0	0	0	0	111.6	K280 K282 V283 L287	K280-G285 WeakPolarHBondContact CE-O 3.42Å; K280-G285 PolarHBondContact NZ-O 3.15Å; K282-G285 PolarHBondContact O-N 2.86Å; V283-G285 VanDerWaalsContact C-N 3.28Å; V283-G285 PolarHBondContact O-N 2.86Å; G285-L287 PolarHBondContact O-N 2.87Å
286	E	82.6	Confident	88.5	Confident	177 Å²	177	49.8 Å²	49.8	83%	0.827	25%	0.253	S	S	*	.	S	Bend	trans	-70.1	-1.5	-179	-57.8	179.1	150.6	0	0	114.4	E179	E179-E286 HydrophobicContact CG-CB 4.28Å; E179-E286 WeakPolarHBondContact CG-O 3.32Å
287	L	88.7	Confident	86.7	Confident	83 Å²	83	50.9 Å²	50.9	44%	0.435	27%	0.265	S	S	.	.			trans	-97.5	115.4	-169.1	177.2	65.6	0	0	0	111.7	P281 G285 I390	P281-L287 VanDerWaalsContact CD-O 3.23Å; P281-L287 WeakPolarHBondContact CD-O 3.38Å; P281-L287 HydrophobicContact CG-CD2 4.12Å; G285-L287 PolarHBondContact O-N 2.87Å; L287-I390 HydrophobicContact CD2-CD1 4.19Å; L287-I390 HydrophobicContact CD2-CG2 3.77Å
288	V	91.1	Very high	84.5	Confident	30 Å²	30	54.4 Å²	54.4	18%	0.182	29%	0.29	C	S	.	.			trans	-118	132.8	165.8	-174.2	0	0	0	0	109.1	E179 F271 Y278 K280	E179-V288 VanDerWaalsContact OE1-CG2 3.28Å; E179-V288 WeakPolarHBondContact OE1-CG2 3.47Å; F271-V288 HydrophobicContact CE1-CG1 4.25Å; F271-V288 HydrophobicContact CZ-CG1 3.89Å; Y278-V288 HydrophobicContact CD1-CG1 3.94Å; K280-V288 HydrophobicContact CB-CG2 4.35Å; K280-V288 HydrophobicContact CD-CG2 4.04Å; K280-V288 HydrophobicContact CG-CG2 4.27Å
289	C	91.8	Very high	81.9	Confident	19 Å²	19	60.5 Å²	60.5	13%	0.128	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.1	-179.2	-59.7	0	0	0	0	110.3	Y278 Y279 I291 I393	Y278-C289 CarbonylContact C-O 3.58Å; Y278-C289 WeakPolarHBondContact CA-O 3.34Å; Y279-C289 PolarHBondContact N-O 3.25Å; Y279-C289 PolarHBondContact O-N 2.96Å; C289-I291 PolarHBondContact O-N 3Å; C289-I393 HydrophobicContact CB-CD1 3.93Å
290	R	93.1	Very high	79.2	Confident	115 Å²	115	70.4 Å²	70.4	43%	0.434	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.9	171.2	-179.8	174.5	179.3	-176.6	4.1	109.5	D276 Y278 T292 Q293	D276-R290 IonicContact OD2-CZ 2.85Å; D276-R290 IonicContact OD2-NE 3.98Å; D276-R290 PolarHBondContact OD2-NE 2.84Å; D276-R290 IonicContact OD2-NH2 2.65Å; D276-R290 PolarHBondContact OD2-NH2 3.27Å; Y278-R290 HydrophobicContact CD1-CB 3.88Å; Y278-R290 HydrophobicContact CD1-CG 4.34Å; Y278-R290 HydrophobicContact CE1-CB 3.75Å; Y278-R290 HydrophobicContact CE1-CG 3.96Å; Y278-R290 HydrophobicContact CE2-CG 4.42Å; R290-T292 WeakPolarHBondContact CG-O 3.22Å; R290-T292 PolarHBondContact NE-O 3.01Å; R290-Q293 HydrophobicContact CG-CG 4.47Å
291	I	94	Very high	76.8	Confident	8 Å²	8	73.5 Å²	73.5	4%	0.041	41%	0.405	C	S	.	.			trans	-81.4	-46.8	-176.9	-63.6	159.2	0	0	0	110.9	I277 C289 L338 F340 V385 I393 P395	I277-I291 HydrophobicContact CB-CB 4.32Å; I277-I291 HydrophobicContact CB-CD1 4.31Å; I277-I291 HydrophobicContact CG2-CD1 3.75Å; I277-I291 WeakPolarHBondContact O-CB 3.41Å; I277-I291 PolarHBondContact O-N 3.09Å; C289-I291 PolarHBondContact O-N 3Å; I291-L338 HydrophobicContact CD1-CD2 3.84Å; I291-F340 HydrophobicContact CG2-CE1 4.23Å; I291-F340 HydrophobicContact CG2-CZ 4.45Å; I291-V385 HydrophobicContact CD1-CG1 4.29Å; I291-V385 HydrophobicContact CG2-CB 4.21Å; I291-V385 HydrophobicContact CG2-CG1 3.97Å; I291-V385 HydrophobicContact CG2-CG2 4.32Å; I291-I393 HydrophobicContact CB-CG2 4.3Å; I291-I393 HydrophobicContact CG1-CG2 3.58Å; I291-I393 HydrophobicContact CG2-CG2 4.4Å; I291-P395 HydrophobicContact CG2-CB 4.29Å; I291-P395 HydrophobicContact CG2-CG 4.33Å; I291-P395 WeakPolarHBondContact O-CD 3.32Å
292	T	93.6	Very high	74.6	Confident	5 Å²	5	81 Å²	81	3%	0.031	44%	0.44	C	S	.	.			trans	-110	152.1	-179.1	58.6	0	0	0	0	110.9	D276 I277 R290 N309 F340 P395	D276-T292 VanDerWaalsContact CA-OG1 3.24Å; D276-T292 WeakPolarHBondContact CA-OG1 3.27Å; D276-T292 WeakPolarHBondContact CB-OG1 3.19Å; D276-T292 VanDerWaalsContact CG-C 3.4Å; D276-T292 VanDerWaalsContact CG-OG1 3.29Å; D276-T292 WeakPolarHBondContact OD1-CB 3.43Å; D276-T292 PolarHBondContact OD1-OG1 3.36Å; I277-T292 HydrophobicContact CG1-CG2 4.42Å; I277-T292 PolarHBondContact N-OG1 2.83Å; R290-T292 WeakPolarHBondContact CG-O 3.22Å; R290-T292 PolarHBondContact NE-O 3.01Å; T292-N309 HydrophobicContact CG2-CB 4.05Å; T292-F340 HydrophobicContact CG2-CE2 3.67Å; T292-F340 HydrophobicContact CG2-CZ 3.54Å; T292-P395 HydrophobicContact CG2-CG 4.43Å
293	Q	89.8	Confident	72.7	Confident	157 Å²	157	79.8 Å²	79.8	73%	0.734	44%	0.444	S	S	*	.			trans	-133.2	20.7	179	-58.4	-178.7	7.6	0	0	111	D276 R290	D276-Q293 PolarHBondContact OD1-N 2.82Å; D276-Q293 VanDerWaalsContact OD2-CA 3.28Å; D276-Q293 WeakPolarHBondContact OD2-CA 3.3Å; R290-Q293 HydrophobicContact CG-CG 4.47Å
294	T	88.5	Confident	71.3	Confident	83 Å²	83	80.8 Å²	80.8	51%	0.509	45%	0.45	S	S	.	.			trans	-107	-15.8	-172.9	49.5	0	0	0	0	112.3	D276 S296 N309	D276-T294 PolarHBondContact OD1-N 3.05Å; D276-T294 VanDerWaalsContact OD1-N 3.16Å; T294-S296 PolarHBondContact O-N 3.34Å; T294-S296 VanDerWaalsContact O-N 3.11Å; T294-N309 PolarHBondContact OG1-ND2 2.04Å; T294-N309 PolarHBondContact OG1-OD1 2.9Å
295	G	81.3	Confident	70.4	Confident	13 Å²	13	75.2 Å²	75.2	13%	0.134	43%	0.426	C	S	.	.			trans	-60.3	111.6	174.7	0	0	0	0	0	110.8	D276 G297 N309	D276-G295 PolarHBondContact OD1-N 3Å; D276-G295 PolarHBondContact OD2-N 2.86Å; G295-G297 PolarHBondContact O-N 3.01Å; G295-N309 PolarHBondContact N-ND2 3.34Å
296	S	66.4	Low	70.6	Confident	47 Å²	47	76.1 Å²	76.1	33%	0.329	43%	0.427	S	S	.	.			trans	-76.4	84.2	164	47.2	0	0	0	0	108.6	N275 T294 G305 V306	N275-S296 PolarHBondContact ND2-O 3.16Å; T294-S296 PolarHBondContact O-N 3.34Å; T294-S296 VanDerWaalsContact O-N 3.11Å; S296-G305 WeakPolarHBondContact O-CA 3.24Å; S296-V306 WeakPolarHBondContact OG-CB 3.05Å; S296-V306 PolarHBondContact OG-N 3.42Å
297	G	55.5	Low	71	Confident	25 Å²	25	69 Å²	69	26%	0.258	40%	0.396	S	S	.	.			trans	-58.8	138.7	159.3	0	0	0	0	0	109.8	G295 L299	G295-G297 PolarHBondContact O-N 3.01Å; G297-L299 PolarHBondContact O-N 3.09Å
298	S	48.3	Very low	71.1	Confident	74 Å²	74	66.7 Å²	66.7	52%	0.517	38%	0.382	S	S	.	.			trans	-59.5	109.7	177.3	49.3	0	0	0	0	110.7	E302	S298-E302 WeakPolarHBondContact CB-O 3.48Å
299	L	41	Very low	71.3	Confident	158 Å²	158	65.4 Å²	65.4	83%	0.827	37%	0.374	S	S	*	.			trans	-63.5	142.7	155.3	-74.7	165.5	0	0	0	107.8	G297 G301 E302	G297-L299 PolarHBondContact O-N 3.09Å; L299-G301 PolarHBondContact O-N 3.09Å; L299-E302 PolarHBondContact O-N 3.4Å
300	E	37.2	Very low	71.2	Confident	209 Å²	209	64.5 Å²	64.5	98%	0.977	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	103.3	-167.2	-62	174.2	169.5	0	0	112.6
301	G	40.9	Very low	71.2	Confident	78 Å²	78	59.7 Å²	59.7	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.8	-25.2	174.1	0	0	0	0	0	116.5	L299	L299-G301 PolarHBondContact O-N 3.09Å
302	E	44.6	Very low	71.1	Confident	163 Å²	163	60 Å²	60	76%	0.762	35%	0.354	S	S	*	.			trans	-115	110.3	177.4	-73.1	-171.5	136.5	0	0	111.3	S298 L299 T304	S298-E302 WeakPolarHBondContact CB-O 3.48Å; L299-E302 PolarHBondContact O-N 3.4Å; E302-T304 PolarHBondContact O-N 3.28Å
303	S	46.7	Very low	70.9	Confident	73 Å²	73	59.9 Å²	59.9	51%	0.51	35%	0.353	S	S	.	.			trans	-89.2	7.2	-165.2	48.8	0	0	0	0	115.9
304	T	57.8	Low	70.9	Confident	33 Å²	33	53.1 Å²	53.1	20%	0.202	32%	0.321	C	S	.	.			trans	-105.8	107.8	175.7	59	0	0	0	0	111.7	E302 S367	E302-T304 PolarHBondContact O-N 3.28Å; T304-S367 VanDerWaalsContact CG2-O 3.28Å; T304-S367 WeakPolarHBondContact CG2-O 3.2Å
305	G	64.6	Low	71	Confident	8 Å²	8	49.2 Å²	49.2	8%	0.082	30%	0.297	C	S	.	.			trans	-57.3	145.1	158.2	0	0	0	0	0	110.5	S296 F308	S296-G305 WeakPolarHBondContact O-CA 3.24Å; G305-F308 WeakPolarHBondContact O-CE2 2.89Å; G305-F308 WeakPolarHBondContact O-CZ 3.34Å
306	V	84.8	Confident	71.4	Confident	40 Å²	40	48.6 Å²	48.6	24%	0.242	29%	0.291	C	S	.	.	S	Bend	trans	-111.3	-26.6	-178.1	-176.3	0	0	0	0	111.3	S296 N344 D345	S296-V306 WeakPolarHBondContact OG-CB 3.05Å; S296-V306 PolarHBondContact OG-N 3.42Å; V306-N344 PolarHBondContact O-OD1 3.12Å; V306-D345 PolarHBondContact O-N 2.88Å
307	V	91.2	Very high	72.5	Confident	29 Å²	29	50.3 Å²	50.3	18%	0.176	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.5	172.5	-179.4	0	0	0	0	108.6	N275 Y343 N344	N275-V307 VanDerWaalsContact CB-O 3.3Å; N275-V307 WeakPolarHBondContact CB-O 2.7Å; V307-Y343 CarbonylContact C-O 3.57Å; V307-Y343 VanDerWaalsContact CA-O 3.31Å; V307-Y343 WeakPolarHBondContact CA-O 3.39Å; V307-N344 HydrophobicContact CG2-CB 4.33Å
308	F	91.8	Very high	74	Confident	33 Å²	33	52 Å²	52	15%	0.145	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.5	178.9	-55.8	-93.8	0	0	0	109.1	N275 G305 V311 D313 S342 Y343	N275-F308 VanDerWaalsContact OD1-CD1 3.28Å; N275-F308 WeakPolarHBondContact OD1-CD1 3.29Å; G305-F308 WeakPolarHBondContact O-CE2 2.89Å; G305-F308 WeakPolarHBondContact O-CZ 3.34Å; F308-V311 HydrophobicContact CB-CG2 4.31Å; F308-V311 WeakPolarHBondContact CB-O 3.11Å; F308-D313 HydrophobicContact CD2-CB 3.93Å; F308-D313 HydrophobicContact CE2-CB 4.09Å; F308-S342 CarbonylContact O-C 3.6Å; F308-S342 VanDerWaalsContact O-CA 3.26Å; F308-S342 WeakPolarHBondContact O-CA 3.35Å; F308-Y343 HydrophobicContact CB-CD2 4.27Å; F308-Y343 PolarHBondContact N-O 3.03Å; F308-Y343 PolarHBondContact O-N 2.91Å
309	N	93.6	Very high	75.9	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.3	177.1	-55.3	-82.6	0	0	0	110.3	V272 N275 D276 I277 T292 T294 G295 V311 F340 S342	V272-N309 WeakPolarHBondContact CG1-O 3.39Å; N275-N309 WeakPolarHBondContact O-CB 2.72Å; N275-N309 PolarHBondContact O-N 2.85Å; N275-N309 VanDerWaalsContact O-N 3.16Å; N275-N309 PolarHBondContact O-ND2 2.86Å; D276-N309 PolarHBondContact OD1-ND2 3.02Å; I277-N309 HydrophobicContact CD1-CB 4.11Å; I277-N309 HydrophobicContact CG1-CB 3.86Å; T292-N309 HydrophobicContact CG2-CB 4.05Å; T294-N309 PolarHBondContact OG1-ND2 2.04Å; T294-N309 PolarHBondContact OG1-OD1 2.9Å; G295-N309 PolarHBondContact N-ND2 3.34Å; N309-V311 PolarHBondContact O-N 3.01Å; N309-V311 VanDerWaalsContact O-N 3.17Å; N309-F340 HydrophobicContact CB-CE2 4.35Å; N309-S342 WeakPolarHBondContact OD1-CB 3.09Å; N309-S342 PolarHBondContact OD1-OG 3.05Å
310	G	91.5	Very high	77.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	74.5	-2.6	176.9	0	0	0	0	0	115.3	S328 L341	G310-S328 WeakPolarHBondContact CA-O 3.48Å; G310-S328 WeakPolarHBondContact O-CB 3.27Å; G310-L341 PolarHBondContact N-O 3.11Å
311	V	91.5	Very high	79.8	Confident	14 Å²	14	38 Å²	38	9%	0.085	23%	0.227	C	C	.	.	S	Bend	trans	-134.5	148.5	170.6	-68.1	0	0	0	0	109	Q188 H189 V272 F308 N309 Y343	Q188-V311 HydrophobicContact CB-CG1 4.02Å; H189-V311 HydrophobicContact CB-CG1 3.59Å; V272-V311 HydrophobicContact CB-CG1 4.01Å; V272-V311 HydrophobicContact CG1-CG1 4.01Å; V272-V311 HydrophobicContact CG1-CG2 4.03Å; V272-V311 HydrophobicContact CG2-CG1 4.07Å; F308-V311 HydrophobicContact CB-CG2 4.31Å; F308-V311 WeakPolarHBondContact CB-O 3.11Å; N309-V311 PolarHBondContact O-N 3.01Å; N309-V311 VanDerWaalsContact O-N 3.17Å; V311-Y343 WeakPolarHBondContact O-CD2 3.25Å; V311-Y343 WeakPolarHBondContact O-CE2 3.44Å
312	P	91.5	Very high	81.8	Confident	14 Å²	14	34.3 Å²	34.3	9%	0.091	19%	0.189	C	C	.	.			trans	-71.8	157.8	-179	30.6	-36.3	0	0	0	113.4	E317 R325 S328 Y343	P312-E317 HydrophobicContact CB-CB 4.26Å; P312-E317 HydrophobicContact CG-CB 3.88Å; P312-E317 HydrophobicContact CG-CG 4.46Å; P312-R325 HydrophobicContact CG-CG 4.38Å; P312-S328 WeakPolarHBondContact CD-OG 3.46Å; P312-Y343 HydrophobicContact CB-CE2 4.49Å
313	D	90.2	Very high	83.1	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.016	17%	0.171	C	C	.	.			trans	-74.7	176	158.3	71.6	-80.5	0	0	0	111.2	F308 M315 Y316 E317 Y343	F308-D313 HydrophobicContact CD2-CB 3.93Å; F308-D313 HydrophobicContact CE2-CB 4.09Å; D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.03Å; D313-M315 WeakPolarHBondContact OD2-CA 3.34Å; D313-M315 VanDerWaalsContact OD2-CB 3.27Å; D313-M315 WeakPolarHBondContact OD2-CB 3.25Å; D313-M315 PolarHBondContact OD2-N 3.47Å; D313-Y316 PolarHBondContact O-N 3.38Å; D313-Y316 WeakPolarHBondContact OD1-CD2 3.46Å; D313-Y316 PolarHBondContact OD2-N 2.37Å; D313-E317 WeakPolarHBondContact O-CB 3.02Å; D313-E317 PolarHBondContact O-N 3Å; D313-Y343 WeakPolarHBondContact OD1-CD1 3.42Å
314	W	89.8	Confident	84.1	Confident	16 Å²	16	27.3 Å²	27.3	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-55.4	-41.5	-178.4	176.1	93.4	0	0	0	113.7	E317 N318 Q368 Y370 Y860 T904 L905	W314-E317 PolarHBondContact O-N 2.85Å; W314-N318 HydrophobicContact CH2-CB 4.26Å; W314-N318 HydrophobicContact CZ2-CB 3.82Å; W314-N318 PolarHBondContact NE1-ND2 3.08Å; W314-N318 WeakPolarHBondContact O-CB 3.42Å; W314-N318 PolarHBondContact O-N 3.34Å; W314-N318 PolarHBondContact O-ND2 2.96Å; W314-Q368 HydrophobicContact CG-CG 4.24Å; W314-Y370 HydrophobicContact CD2-CD2 4.17Å; W314-Y370 AromaticContact CE3-CD2 3.83Å; W314-Y370 HydrophobicContact CE3-CD2 3.83Å; W314-Y370 HydrophobicContact CE3-CE2 4.3Å; W314-Y370 AromaticContact CH2-CD2 3.73Å; W314-Y370 HydrophobicContact CH2-CD2 3.73Å; W314-Y370 AromaticContact CH2-CE2 3.33Å; W314-Y370 HydrophobicContact CH2-CE2 3.33Å; W314-Y370 HydrophobicContact CZ2-CD2 4.02Å; W314-Y370 AromaticContact CZ2-CE2 3.72Å; W314-Y370 HydrophobicContact CZ2-CE2 3.72Å; W314-Y370 AromaticContact CZ3-CD2 3.59Å; W314-Y370 HydrophobicContact CZ3-CD2 3.59Å; W314-Y370 AromaticContact CZ3-CE2 3.62Å; W314-Y370 HydrophobicContact CZ3-CE2 3.62Å; W314-Y370 HydrophobicContact CZ3-CG 4.36Å; W314-Y860 AromaticContact CH2-CD1 3.98Å; W314-Y860 HydrophobicContact CH2-CD1 3.98Å; W314-Y860 HydrophobicContact CH2-CG 4.22Å; W314-Y860 HydrophobicContact CZ3-CG 4.29Å; W314-T904 VanDerWaalsContact CE2-O 3.27Å; W314-T904 WeakPolarHBondContact CZ2-O 3.48Å; W314-T904 PolarHBondContact NE1-O 3.39Å; W314-L905 HydrophobicContact CH2-CD1 3.97Å; W314-L905 HydrophobicContact CZ2-CB 4.5Å; W314-L905 HydrophobicContact CZ2-CD1 3.77Å
315	M	90.1	Very high	84.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.6	-43.6	-177.7	-174.8	-166.8	70.9	0	0	110.6	D313 E317 V319 P371 P378 Y409 F862	D313-M315 VanDerWaalsContact C-N 3.32Å; D313-M315 PolarHBondContact O-N 3.03Å; D313-M315 WeakPolarHBondContact OD2-CA 3.34Å; D313-M315 VanDerWaalsContact OD2-CB 3.27Å; D313-M315 WeakPolarHBondContact OD2-CB 3.25Å; D313-M315 PolarHBondContact OD2-N 3.47Å; M315-E317 VanDerWaalsContact C-N 3.3Å; M315-E317 PolarHBondContact O-N 2.89Å; M315-V319 HydrophobicContact CG-CG2 4.44Å; M315-V319 VanDerWaalsContact O-CB 3.31Å; M315-V319 WeakPolarHBondContact O-CB 3.25Å; M315-V319 WeakPolarHBondContact O-CG2 3.11Å; M315-V319 PolarHBondContact O-N 3Å; M315-P371 HydrophobicContact CB-CG 4.06Å; M315-P371 HydrophobicContact CG-CG 4.05Å; M315-P371 HydrophobicContact SD-CG 3.54Å; M315-P371 VanDerWaalsContact SD-CG 3.54Å; M315-P378 HydrophobicContact CE-CG 3.6Å; M315-P378 HydrophobicContact SD-CG 4.43Å; M315-Y409 HydrophobicContact CE-CD1 3.8Å; M315-Y409 HydrophobicContact CE-CE1 3.67Å; M315-Y409 HydrophobicContact SD-CE1 4.12Å; M315-F862 HydrophobicContact SD-CB 4.17Å
316	Y	91.3	Very high	84.4	Confident	1 Å²	1	43 Å²	43	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-71.4	-24.8	176.8	-86.1	-102.3	0	0	0	112.7	D313 L322 S324 Y343 P378 V380 Y409 V410	D313-Y316 PolarHBondContact O-N 3.38Å; D313-Y316 WeakPolarHBondContact OD1-CD2 3.46Å; D313-Y316 PolarHBondContact OD2-N 2.37Å; Y316-L322 HydrophobicContact CD1-CB 4.07Å; Y316-L322 HydrophobicContact CD1-CD1 3.65Å; Y316-L322 HydrophobicContact CD1-CG 4.3Å; Y316-L322 HydrophobicContact CD2-CD1 4.42Å; Y316-L322 HydrophobicContact CE1-CD1 3.8Å; Y316-L322 HydrophobicContact CE1-CD2 4.18Å; Y316-L322 HydrophobicContact CE1-CG 4.38Å; Y316-L322 HydrophobicContact CG-CD1 4.01Å; Y316-S324 WeakPolarHBondContact CB-OG 3.47Å; Y316-S324 WeakPolarHBondContact CD1-OG 3.24Å; Y316-S324 WeakPolarHBondContact O-CB 3.41Å; Y316-S324 PolarHBondContact O-OG 3Å; Y316-Y343 HydrophobicContact CD1-CD1 4.45Å; Y316-Y343 AromaticContact CD1-CE1 3.59Å; Y316-Y343 HydrophobicContact CD1-CE1 3.59Å; Y316-Y343 AromaticContact CD2-CD1 3.85Å; Y316-Y343 HydrophobicContact CD2-CD1 3.85Å; Y316-Y343 AromaticContact CD2-CE1 3.81Å; Y316-Y343 HydrophobicContact CD2-CE1 3.81Å; Y316-Y343 HydrophobicContact CE1-CE1 4.04Å; Y316-Y343 HydrophobicContact CE2-CD1 4.23Å; Y316-Y343 HydrophobicContact CE2-CE1 4.24Å; Y316-Y343 AromaticContact CG-CD1 3.95Å; Y316-Y343 HydrophobicContact CG-CD1 3.95Å; Y316-Y343 AromaticContact CG-CE1 3.44Å; Y316-Y343 HydrophobicContact CG-CE1 3.44Å; Y316-Y343 VanDerWaalsContact CG-CE1 3.44Å; Y316-P378 HydrophobicContact CD2-CG 4.32Å; Y316-P378 HydrophobicContact CE2-CG 4.19Å; Y316-V380 HydrophobicContact CD2-CG2 4.24Å; Y316-V380 HydrophobicContact CE2-CG2 3.44Å; Y316-V380 VanDerWaalsContact CE2-CG2 3.44Å; Y316-V380 WeakPolarHBondContact OH-CG2 2.98Å; Y316-Y409 VanDerWaalsContact OH-CA 3.24Å; Y316-Y409 WeakPolarHBondContact OH-CA 3.49Å; Y316-V410 WeakPolarHBondContact CE1-O 3.26Å; Y316-V410 PolarHBondContact OH-N 3.45Å
317	E	88.2	Confident	83.7	Confident	83 Å²	83	41.1 Å²	41.1	39%	0.388	19%	0.191	S	C	.	.	H	α-helix	trans	-75.3	-43.1	174.5	-177.1	156.7	-121.8	0	0	113	P312 D313 W314 M315 R325	P312-E317 HydrophobicContact CB-CB 4.26Å; P312-E317 HydrophobicContact CG-CB 3.88Å; P312-E317 HydrophobicContact CG-CG 4.46Å; D313-E317 WeakPolarHBondContact O-CB 3.02Å; D313-E317 PolarHBondContact O-N 3Å; W314-E317 PolarHBondContact O-N 2.85Å; M315-E317 VanDerWaalsContact C-N 3.3Å; M315-E317 PolarHBondContact O-N 2.89Å; E317-R325 IonicContact OE1-CZ 3.52Å; E317-R325 IonicContact OE1-NE 2.75Å; E317-R325 PolarHBondContact OE1-NE 2.84Å; E317-R325 IonicContact OE1-NH2 3.97Å; E317-R325 PolarHBondContact OE1-NH2 2.84Å
318	N	88.3	Confident	83.5	Confident	60 Å²	60	39.9 Å²	39.9	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-91.1	1.7	-171.9	-69	-86.1	0	0	0	114.2	W314 P320 L905	W314-N318 HydrophobicContact CH2-CB 4.26Å; W314-N318 HydrophobicContact CZ2-CB 3.82Å; W314-N318 PolarHBondContact NE1-ND2 3.08Å; W314-N318 WeakPolarHBondContact O-CB 3.42Å; W314-N318 PolarHBondContact O-N 3.34Å; W314-N318 PolarHBondContact O-ND2 2.96Å; N318-P320 WeakPolarHBondContact O-CD 3.47Å; N318-L905 HydrophobicContact CB-CD1 4.27Å
319	V	87.3	Confident	83.5	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.012	18%	0.178	C	C	.	.			trans	-103.4	106.8	173.7	169	0	0	0	0	110	M315 E321 L322 Y860 F862	M315-V319 HydrophobicContact CG-CG2 4.44Å; M315-V319 VanDerWaalsContact O-CB 3.31Å; M315-V319 WeakPolarHBondContact O-CB 3.25Å; M315-V319 WeakPolarHBondContact O-CG2 3.11Å; M315-V319 PolarHBondContact O-N 3Å; V319-E321 VanDerWaalsContact C-N 3.28Å; V319-E321 PolarHBondContact O-N 2.64Å; V319-L322 HydrophobicContact CB-CD1 4.01Å; V319-L322 HydrophobicContact CB-CG 4.43Å; V319-L322 HydrophobicContact CG1-CB 4.25Å; V319-L322 HydrophobicContact CG1-CD1 3.67Å; V319-L322 HydrophobicContact CG1-CG 3.71Å; V319-L322 PolarHBondContact O-N 3.22Å; V319-Y860 HydrophobicContact CG2-CD2 4.34Å; V319-Y860 HydrophobicContact CG2-CE2 3.53Å; V319-F862 HydrophobicContact CB-CD1 4.36Å; V319-F862 HydrophobicContact CB-CE1 4.41Å; V319-F862 HydrophobicContact CG1-CD1 3.52Å; V319-F862 HydrophobicContact CG1-CE1 3.17Å; V319-F862 HydrophobicContact CG1-CE2 4.44Å; V319-F862 HydrophobicContact CG1-CG 4.29Å; V319-F862 HydrophobicContact CG1-CZ 3.69Å; V319-F862 HydrophobicContact CG2-CB 4.47Å; V319-F862 HydrophobicContact CG2-CD1 3.82Å; V319-F862 HydrophobicContact CG2-CE1 4.35Å; V319-F862 HydrophobicContact CG2-CG 4.26Å
320	P	79.8	Confident	83.3	Confident	98 Å²	98	41.2 Å²	41.2	64%	0.636	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-57.1	-36.9	179.1	-27.3	35.7	0	0	0	114	N318 L322 E323	N318-P320 WeakPolarHBondContact O-CD 3.47Å; P320-L322 PolarHBondContact O-N 2.95Å; P320-L322 VanDerWaalsContact O-N 3.07Å; P320-E323 PolarHBondContact O-N 3.44Å
321	E	80.9	Confident	83.4	Confident	47 Å²	47	42.1 Å²	42.1	22%	0.22	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-79	14	-173.9	-41.7	96.3	99.2	0	0	114.4	V319 P461 S462 R866	V319-E321 VanDerWaalsContact C-N 3.28Å; V319-E321 PolarHBondContact O-N 2.64Å; E321-P461 WeakPolarHBondContact O-CG 3.43Å; E321-S462 WeakPolarHBondContact O-CB 3.5Å; E321-S462 PolarHBondContact O-N 3.07Å; E321-S462 PolarHBondContact O-OG 2.95Å; E321-R866 IonicContact OE1-CZ 2.7Å; E321-R866 IonicContact OE1-NH1 3.62Å; E321-R866 PolarHBondContact OE1-NH1 3.48Å; E321-R866 IonicContact OE1-NH2 2.66Å; E321-R866 PolarHBondContact OE1-NH2 2.91Å
322	L	82.9	Confident	83.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-114.3	-9.3	166.9	-65.2	169.7	0	0	0	112.4	Y316 V319 P320 S324 P461 F862	Y316-L322 HydrophobicContact CD1-CB 4.07Å; Y316-L322 HydrophobicContact CD1-CD1 3.65Å; Y316-L322 HydrophobicContact CD1-CG 4.3Å; Y316-L322 HydrophobicContact CD2-CD1 4.42Å; Y316-L322 HydrophobicContact CE1-CD1 3.8Å; Y316-L322 HydrophobicContact CE1-CD2 4.18Å; Y316-L322 HydrophobicContact CE1-CG 4.38Å; Y316-L322 HydrophobicContact CG-CD1 4.01Å; V319-L322 HydrophobicContact CB-CD1 4.01Å; V319-L322 HydrophobicContact CB-CG 4.43Å; V319-L322 HydrophobicContact CG1-CB 4.25Å; V319-L322 HydrophobicContact CG1-CD1 3.67Å; V319-L322 HydrophobicContact CG1-CG 3.71Å; V319-L322 PolarHBondContact O-N 3.22Å; P320-L322 PolarHBondContact O-N 2.95Å; P320-L322 VanDerWaalsContact O-N 3.07Å; L322-S324 WeakPolarHBondContact CB-OG 3.31Å; L322-S324 PolarHBondContact O-N 3.5Å; L322-P461 HydrophobicContact CD2-CB 4.43Å; L322-P461 HydrophobicContact CD2-CG 3.98Å; L322-F862 HydrophobicContact CD1-CD2 4.17Å; L322-F862 HydrophobicContact CD1-CE2 3.88Å; L322-F862 HydrophobicContact CD1-CZ 4.2Å; L322-F862 HydrophobicContact CD2-CE2 3.94Å; L322-F862 HydrophobicContact CD2-CZ 4.19Å; L322-F862 HydrophobicContact CG-CE2 4.02Å; L322-F862 HydrophobicContact CG-CZ 4Å
323	E	71.6	Confident	83	Confident	84 Å²	84	44 Å²	44	39%	0.393	21%	0.206	S	C	.	.			trans	47.1	25.9	179.6	-68.6	-165	158.7	0	0	115.7	P320 R325 R326 R464	P320-E323 PolarHBondContact O-N 3.44Å; E323-R325 VanDerWaalsContact C-N 3.3Å; E323-R325 PolarHBondContact O-N 3.43Å; E323-R326 PolarHBondContact O-N 3.25Å; E323-R464 IonicContact OE2-CZ 3.57Å; E323-R464 VanDerWaalsContact OE2-CZ 3.31Å; E323-R464 IonicContact OE2-NE 3.32Å; E323-R464 PolarHBondContact OE2-NE 3.22Å; E323-R464 IonicContact OE2-NH2 3.38Å; E323-R464 PolarHBondContact OE2-NH2 3.2Å
324	S	68.6	Low	82.8	Confident	5 Å²	5	45 Å²	45	4%	0.035	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-59.7	-34.6	-152.5	-45.9	0	0	0	0	114.9	Y316 L322 R326 S327 S328	Y316-S324 WeakPolarHBondContact CB-OG 3.47Å; Y316-S324 WeakPolarHBondContact CD1-OG 3.24Å; Y316-S324 WeakPolarHBondContact O-CB 3.41Å; Y316-S324 PolarHBondContact O-OG 3Å; L322-S324 WeakPolarHBondContact CB-OG 3.31Å; L322-S324 PolarHBondContact O-N 3.5Å; S324-R326 PolarHBondContact O-N 3.39Å; S324-S327 CarbonylContact O-C 3.49Å; S324-S327 PolarHBondContact O-N 2.98Å; S324-S328 PolarHBondContact O-N 3.23Å; S324-S328 PolarHBondContact O-OG 2.96Å
325	R	62.8	Low	82.7	Confident	172 Å²	172	44.2 Å²	44.2	65%	0.649	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-57.5	-15.6	173.9	-70.9	-178.2	172.4	178.4	-2.3	114.8	P312 E317 E323	P312-R325 HydrophobicContact CG-CG 4.38Å; E317-R325 IonicContact OE1-CZ 3.52Å; E317-R325 IonicContact OE1-NE 2.75Å; E317-R325 PolarHBondContact OE1-NE 2.84Å; E317-R325 IonicContact OE1-NH2 3.97Å; E317-R325 PolarHBondContact OE1-NH2 2.84Å; E323-R325 VanDerWaalsContact C-N 3.3Å; E323-R325 PolarHBondContact O-N 3.43Å
326	R	65.4	Low	82.7	Confident	199 Å²	199	47 Å²	47	75%	0.751	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-109.2	0.2	171.6	-71.3	-179.1	176.3	-96.4	2.2	113.7	E323 S324 R464	E323-R326 PolarHBondContact O-N 3.25Å; S324-R326 PolarHBondContact O-N 3.39Å; R326-R464 PolarHBondContact O-NH1 2.84Å
327	S	69.4	Low	82.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.007	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-17.1	-173.2	-56.6	0	0	0	0	113.2	S324 M329 L413 R464	S324-S327 CarbonylContact O-C 3.49Å; S324-S327 PolarHBondContact O-N 2.98Å; S327-M329 PolarHBondContact O-N 3.26Å; S327-L413 WeakPolarHBondContact O-CD1 3.36Å; S327-L413 WeakPolarHBondContact O-CG 3.26Å; S327-R464 PolarHBondContact OG-NH1 3.5Å; S327-R464 PolarHBondContact OG-NH2 3.34Å
328	S	87.8	Confident	82.9	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.014	21%	0.21	C	C	.	.	S	Bend	trans	-72.7	-22.5	-176	-57.4	0	0	0	0	114.4	G310 P312 S324 F340 L341 Y343	G310-S328 WeakPolarHBondContact CA-O 3.48Å; G310-S328 WeakPolarHBondContact O-CB 3.27Å; P312-S328 WeakPolarHBondContact CD-OG 3.46Å; S324-S328 PolarHBondContact O-N 3.23Å; S324-S328 PolarHBondContact O-OG 2.96Å; S328-F340 CarbonylContact O-C 3.55Å; S328-F340 WeakPolarHBondContact O-CA 3.4Å; S328-F340 VanDerWaalsContact O-CB 3.29Å; S328-F340 WeakPolarHBondContact O-CB 3.34Å; S328-L341 PolarHBondContact O-N 3.45Å; S328-Y343 PolarHBondContact OG-OH 3.49Å
329	M	91.3	Very high	83.2	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	127.3	178.7	-179.5	166.3	50.4	0	0	111.7	V191 A270 V272 I277 S327 L338 A339 F340	V191-M329 HydrophobicContact CG2-CE 3.86Å; V191-M329 HydrophobicContact CG2-SD 4.44Å; A270-M329 HydrophobicContact CB-SD 4.06Å; V272-M329 HydrophobicContact CG2-CE 3.74Å; I277-M329 HydrophobicContact CD1-SD 4.19Å; I277-M329 HydrophobicContact CG2-SD 3.61Å; S327-M329 PolarHBondContact O-N 3.26Å; M329-L338 HydrophobicContact CG-CD1 3.62Å; M329-L338 HydrophobicContact CG-CD2 4.43Å; M329-L338 HydrophobicContact CG-CG 4.22Å; M329-L338 HydrophobicContact SD-CD1 4.19Å; M329-L338 HydrophobicContact SD-CD2 4.03Å; M329-L338 HydrophobicContact SD-CG 4.46Å; M329-A339 CarbonylContact C-O 3.51Å; M329-A339 WeakPolarHBondContact CA-O 3.43Å; M329-F340 HydrophobicContact CB-CB 4.3Å; M329-F340 HydrophobicContact CG-CB 4.41Å
330	E	90.1	Very high	83.6	Confident	54 Å²	54	41.2 Å²	41.2	25%	0.252	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	123.9	-174.5	-163.9	-172.7	165	0	0	112.1	A339 L413 T414 W415	E330-A339 PolarHBondContact N-O 3.3Å; E330-A339 PolarHBondContact O-N 2.98Å; E330-L413 VanDerWaalsContact OE2-C 3.25Å; E330-T414 WeakPolarHBondContact OE2-CA 3.34Å; E330-T414 PolarHBondContact OE2-N 2.8Å; E330-W415 PolarHBondContact O-NE1 2.69Å; E330-W415 VanDerWaalsContact O-NE1 3.14Å; E330-W415 PolarHBondContact OE1-N 2.96Å
331	F	92.1	Very high	84.3	Confident	19 Å²	19	36.6 Å²	36.6	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	147.9	172.4	-75.4	-82.4	0	0	0	111.6	V191 A193 P194 A270 Y279 F337 L338 L387 W415	V191-F331 HydrophobicContact CB-CE2 4.46Å; V191-F331 HydrophobicContact CG2-CD2 4.33Å; V191-F331 HydrophobicContact CG2-CE2 3.82Å; A193-F331 HydrophobicContact CB-CD1 4.11Å; A193-F331 HydrophobicContact CB-CD2 4.31Å; A193-F331 HydrophobicContact CB-CE1 3.79Å; A193-F331 HydrophobicContact CB-CE2 3.99Å; A193-F331 HydrophobicContact CB-CG 4.36Å; A193-F331 HydrophobicContact CB-CZ 3.72Å; P194-F331 HydrophobicContact CG-CB 4.23Å; A270-F331 HydrophobicContact CB-CE2 3.98Å; A270-F331 HydrophobicContact CB-CZ 3.64Å; Y279-F331 HydrophobicContact CD2-CE1 4.4Å; Y279-F331 HydrophobicContact CD2-CZ 4.34Å; Y279-F331 AromaticContact CE2-CE1 3.98Å; Y279-F331 HydrophobicContact CE2-CE1 3.98Å; Y279-F331 HydrophobicContact CE2-CZ 4.14Å; F331-F337 WeakPolarHBondContact CA-O 3.24Å; F331-L338 HydrophobicContact CD1-CB 4.24Å; F331-L338 HydrophobicContact CD1-CD1 3.88Å; F331-L338 HydrophobicContact CD2-CD1 4.02Å; F331-L338 HydrophobicContact CE1-CB 4.4Å; F331-L338 HydrophobicContact CE1-CD1 4.08Å; F331-L338 HydrophobicContact CE2-CD1 4.22Å; F331-L338 HydrophobicContact CG-CD1 3.86Å; F331-L338 HydrophobicContact CZ-CD1 4.25Å; F331-L387 HydrophobicContact CD1-CD1 4.04Å; F331-L387 HydrophobicContact CE1-CD1 3.58Å; F331-W415 VanDerWaalsContact C-NE1 3.31Å; F331-W415 PolarHBondContact O-NE1 3.29Å
332	S	90.1	Very high	84.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.157	C	C	.	.			trans	-61.9	152.9	164.8	59.3	0	0	0	0	110.7	P194 D334 G335 L336 F337	P194-S332 VanDerWaalsContact CG-O 3.26Å; P194-S332 WeakPolarHBondContact CG-O 3.48Å; S332-D334 WeakPolarHBondContact CB-OD1 3.29Å; S332-D334 PolarHBondContact O-N 2.94Å; S332-D334 PolarHBondContact OG-OD1 3.3Å; S332-G335 PolarHBondContact O-N 3.46Å; S332-L336 PolarHBondContact OG-N 3.25Å; S332-F337 PolarHBondContact N-O 3.04Å; S332-F337 PolarHBondContact OG-N 2.91Å; S332-F337 PolarHBondContact OG-O 2.98Å
333	P	86.3	Confident	85.4	Confident	67 Å²	67	35 Å²	35	44%	0.435	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-19.8	-179.8	-31.9	35.9	0	0	0	116.4	W415	P333-W415 HydrophobicContact CG-CB 4.1Å
334	D	85.2	Confident	86.4	Confident	24 Å²	24	33.2 Å²	33.2	13%	0.128	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	4.3	176.2	66.3	-7.6	0	0	0	114.5	N196 P197 S332 L336 S418	N196-D334 PolarHBondContact OD1-O 2.7Å; P197-D334 HydrophobicContact CG-CB 4.41Å; S332-D334 WeakPolarHBondContact CB-OD1 3.29Å; S332-D334 PolarHBondContact O-N 2.94Å; S332-D334 PolarHBondContact OG-OD1 3.3Å; D334-L336 HydrophobicContact CB-CG 4.41Å; D334-L336 PolarHBondContact O-N 3.48Å; D334-L336 VanDerWaalsContact O-N 3.14Å; D334-L336 PolarHBondContact OD1-N 2.82Å; D334-L336 VanDerWaalsContact OD1-N 3.16Å; D334-L336 WeakPolarHBondContact OD2-CD1 3.22Å; D334-L336 WeakPolarHBondContact OD2-CG 3.38Å; D334-S418 VanDerWaalsContact OD2-CB 3.28Å; D334-S418 WeakPolarHBondContact OD2-CB 3.3Å
335	G	88.3	Confident	87.5	Confident	0 Å²	0	33 Å²	33	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	68.5	2.4	-179.5	0	0	0	0	0	115.8	S332	S332-G335 PolarHBondContact O-N 3.46Å
336	L	88.4	Confident	88.8	Confident	59 Å²	59	28 Å²	28	31%	0.309	14%	0.14	S	C	.	.	S	Bend	trans	-77.3	-21.5	-176.6	-63.6	-171.9	0	0	0	113.8	L265 S332 D334 N386 L387	L265-L336 HydrophobicContact CD1-CD2 3.73Å; S332-L336 PolarHBondContact OG-N 3.25Å; D334-L336 HydrophobicContact CB-CG 4.41Å; D334-L336 PolarHBondContact O-N 3.48Å; D334-L336 VanDerWaalsContact O-N 3.14Å; D334-L336 PolarHBondContact OD1-N 2.82Å; D334-L336 VanDerWaalsContact OD1-N 3.16Å; D334-L336 WeakPolarHBondContact OD2-CD1 3.22Å; D334-L336 WeakPolarHBondContact OD2-CG 3.38Å; L336-N386 PolarHBondContact O-OD1 3.21Å; L336-L387 PolarHBondContact O-N 3.25Å
337	F	91.6	Very high	90.1	Very high	24 Å²	24	23.5 Å²	23.5	11%	0.105	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.2	174.5	-60.7	-85.6	0	0	0	111.3	F331 S332 V384 V385 N386 W415 A440 F443	F331-F337 WeakPolarHBondContact CA-O 3.24Å; S332-F337 PolarHBondContact N-O 3.04Å; S332-F337 PolarHBondContact OG-N 2.91Å; S332-F337 PolarHBondContact OG-O 2.98Å; F337-V384 HydrophobicContact CB-CG2 4.14Å; F337-V384 HydrophobicContact CD1-CG2 4.2Å; F337-V385 WeakPolarHBondContact CA-O 3.48Å; F337-N386 HydrophobicContact CD1-CB 3.97Å; F337-N386 HydrophobicContact CE1-CB 3.8Å; F337-W415 HydrophobicContact CB-CH2 3.59Å; F337-W415 HydrophobicContact CB-CZ2 3.88Å; F337-W415 HydrophobicContact CD2-CH2 4.48Å; F337-W415 HydrophobicContact CG-CH2 4.17Å; F337-A440 HydrophobicContact CE2-CB 4.49Å; F337-A440 HydrophobicContact CZ-CB 4.22Å; F337-F443 HydrophobicContact CD1-CE2 4.13Å; F337-F443 AromaticContact CD1-CZ 3.87Å; F337-F443 HydrophobicContact CD1-CZ 3.87Å; F337-F443 AromaticContact CE1-CE2 3.9Å; F337-F443 HydrophobicContact CE1-CE2 3.9Å; F337-F443 AromaticContact CE1-CZ 3.92Å; F337-F443 HydrophobicContact CE1-CZ 3.92Å; F337-F443 HydrophobicContact CG-CZ 4.26Å; F337-F443 HydrophobicContact CZ-CZ 4.38Å
338	L	93.8	Very high	91.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.6	168.4	179.1	66	0	0	0	108	A270 I277 I291 M329 F331 V384 V385 L387	A270-L338 HydrophobicContact CB-CD2 3.83Å; I277-L338 HydrophobicContact CG2-CD2 4.38Å; I291-L338 HydrophobicContact CD1-CD2 3.84Å; M329-L338 HydrophobicContact CG-CD1 3.62Å; M329-L338 HydrophobicContact CG-CD2 4.43Å; M329-L338 HydrophobicContact CG-CG 4.22Å; M329-L338 HydrophobicContact SD-CD1 4.19Å; M329-L338 HydrophobicContact SD-CD2 4.03Å; M329-L338 HydrophobicContact SD-CG 4.46Å; F331-L338 HydrophobicContact CD1-CB 4.24Å; F331-L338 HydrophobicContact CD1-CD1 3.88Å; F331-L338 HydrophobicContact CD2-CD1 4.02Å; F331-L338 HydrophobicContact CE1-CB 4.4Å; F331-L338 HydrophobicContact CE1-CD1 4.08Å; F331-L338 HydrophobicContact CE2-CD1 4.22Å; F331-L338 HydrophobicContact CG-CD1 3.86Å; F331-L338 HydrophobicContact CZ-CD1 4.25Å; L338-V384 WeakPolarHBondContact O-CA 3.19Å; L338-V385 HydrophobicContact CB-CG1 3.89Å; L338-V385 PolarHBondContact N-O 3.03Å; L338-V385 PolarHBondContact O-N 2.8Å; L338-L387 HydrophobicContact CB-CD1 3.93Å; L338-L387 HydrophobicContact CB-CG 4.46Å
339	A	94.8	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.2	172	0	0	0	0	0	109.5	M329 E330 N383 L413 W415 L421	M329-A339 CarbonylContact C-O 3.51Å; M329-A339 WeakPolarHBondContact CA-O 3.43Å; E330-A339 PolarHBondContact N-O 3.3Å; E330-A339 PolarHBondContact O-N 2.98Å; A339-N383 CarbonylContact C-O 3.53Å; A339-N383 WeakPolarHBondContact CA-O 3.41Å; A339-L413 HydrophobicContact CB-CD1 4.07Å; A339-W415 HydrophobicContact CB-CZ2 3.73Å; A339-L421 HydrophobicContact CB-CD1 4.07Å; A339-L421 HydrophobicContact CB-CD2 3.73Å
340	F	95.1	Very high	91.4	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	159.5	176.9	63.6	-87.4	0	0	0	112.2	I277 I291 T292 N309 S328 M329 S342 N383 P395	I277-F340 HydrophobicContact CD1-CB 3.75Å; I277-F340 HydrophobicContact CD1-CD1 3.77Å; I277-F340 HydrophobicContact CD1-CD2 3.38Å; I277-F340 HydrophobicContact CD1-CE1 4.14Å; I277-F340 HydrophobicContact CD1-CE2 3.77Å; I277-F340 HydrophobicContact CD1-CG 3.36Å; I277-F340 HydrophobicContact CD1-CZ 4.13Å; I291-F340 HydrophobicContact CG2-CE1 4.23Å; I291-F340 HydrophobicContact CG2-CZ 4.45Å; T292-F340 HydrophobicContact CG2-CE2 3.67Å; T292-F340 HydrophobicContact CG2-CZ 3.54Å; N309-F340 HydrophobicContact CB-CE2 4.35Å; S328-F340 CarbonylContact O-C 3.55Å; S328-F340 WeakPolarHBondContact O-CA 3.4Å; S328-F340 VanDerWaalsContact O-CB 3.29Å; S328-F340 WeakPolarHBondContact O-CB 3.34Å; M329-F340 HydrophobicContact CB-CB 4.3Å; M329-F340 HydrophobicContact CG-CB 4.41Å; F340-S342 WeakPolarHBondContact CE2-OG 3.44Å; F340-N383 HydrophobicContact CD1-CB 4.25Å; F340-N383 HydrophobicContact CD2-CB 4.01Å; F340-N383 HydrophobicContact CE1-CB 3.86Å; F340-N383 HydrophobicContact CE2-CB 3.61Å; F340-N383 HydrophobicContact CG-CB 4.33Å; F340-N383 HydrophobicContact CZ-CB 3.53Å; F340-N383 PolarHBondContact N-O 3.48Å; F340-N383 PolarHBondContact O-N 3Å; F340-P395 HydrophobicContact CE1-CB 3.94Å; F340-P395 HydrophobicContact CZ-CB 3.62Å; F340-P395 HydrophobicContact CZ-CG 4.41Å
341	L	94.4	Very high	91.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139	171.6	-59.5	-179.8	0	0	0	109.5	G310 S328 Y343 V380 T381 V382 V410 L413	G310-L341 PolarHBondContact N-O 3.11Å; S328-L341 PolarHBondContact O-N 3.45Å; L341-Y343 HydrophobicContact CB-CD2 4.48Å; L341-Y343 HydrophobicContact CB-CE1 4.43Å; L341-Y343 HydrophobicContact CB-CE2 3.63Å; L341-Y343 VanDerWaalsContact CD1-OH 3.25Å; L341-Y343 WeakPolarHBondContact CD1-OH 3.25Å; L341-V380 HydrophobicContact CB-CG1 4.35Å; L341-V380 HydrophobicContact CD2-CG1 4.44Å; L341-T381 WeakPolarHBondContact CA-O 3.41Å; L341-V382 HydrophobicContact CD2-CB 4.34Å; L341-V382 HydrophobicContact CD2-CG1 4.45Å; L341-V382 HydrophobicContact CD2-CG2 3.77Å; L341-V410 HydrophobicContact CD1-CG1 4.29Å; L341-V410 HydrophobicContact CD2-CG1 3.87Å; L341-L413 HydrophobicContact CD2-CD1 4.15Å; L341-L413 HydrophobicContact CD2-CD2 4.02Å; L341-L413 HydrophobicContact CD2-CG 4.14Å; L341-L413 HydrophobicContact CG-CD1 4.11Å; L341-L413 HydrophobicContact CG-CG 4.27Å
342	S	93.6	Very high	91.5	Very high	11 Å²	11	35.1 Å²	35.1	8%	0.077	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.5	167.6	-60.5	0	0	0	0	109.5	F308 N309 F340 V380 T381 N383	F308-S342 CarbonylContact O-C 3.6Å; F308-S342 VanDerWaalsContact O-CA 3.26Å; F308-S342 WeakPolarHBondContact O-CA 3.35Å; N309-S342 WeakPolarHBondContact OD1-CB 3.09Å; N309-S342 PolarHBondContact OD1-OG 3.05Å; F340-S342 WeakPolarHBondContact CE2-OG 3.44Å; S342-V380 WeakPolarHBondContact O-CA 3.28Å; S342-T381 PolarHBondContact N-O 2.94Å; S342-T381 PolarHBondContact O-N 2.83Å; S342-T381 PolarHBondContact O-OG1 2.7Å; S342-N383 WeakPolarHBondContact CB-ND2 2.94Å; S342-N383 PolarHBondContact OG-ND2 3.22Å; S342-N383 VanDerWaalsContact OG-ND2 3.08Å
343	Y	92.9	Very high	91.5	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.5	-178.4	-49	-100.1	0	0	0	108.1	V307 F308 V311 P312 D313 Y316 S328 L341 V380	V307-Y343 CarbonylContact C-O 3.57Å; V307-Y343 VanDerWaalsContact CA-O 3.31Å; V307-Y343 WeakPolarHBondContact CA-O 3.39Å; F308-Y343 HydrophobicContact CB-CD2 4.27Å; F308-Y343 PolarHBondContact N-O 3.03Å; F308-Y343 PolarHBondContact O-N 2.91Å; V311-Y343 WeakPolarHBondContact O-CD2 3.25Å; V311-Y343 WeakPolarHBondContact O-CE2 3.44Å; P312-Y343 HydrophobicContact CB-CE2 4.49Å; D313-Y343 WeakPolarHBondContact OD1-CD1 3.42Å; Y316-Y343 HydrophobicContact CD1-CD1 4.45Å; Y316-Y343 AromaticContact CD1-CE1 3.59Å; Y316-Y343 HydrophobicContact CD1-CE1 3.59Å; Y316-Y343 AromaticContact CD2-CD1 3.85Å; Y316-Y343 HydrophobicContact CD2-CD1 3.85Å; Y316-Y343 AromaticContact CD2-CE1 3.81Å; Y316-Y343 HydrophobicContact CD2-CE1 3.81Å; Y316-Y343 HydrophobicContact CE1-CE1 4.04Å; Y316-Y343 HydrophobicContact CE2-CD1 4.23Å; Y316-Y343 HydrophobicContact CE2-CE1 4.24Å; Y316-Y343 AromaticContact CG-CD1 3.95Å; Y316-Y343 HydrophobicContact CG-CD1 3.95Å; Y316-Y343 AromaticContact CG-CE1 3.44Å; Y316-Y343 HydrophobicContact CG-CE1 3.44Å; Y316-Y343 VanDerWaalsContact CG-CE1 3.44Å; S328-Y343 PolarHBondContact OG-OH 3.49Å; L341-Y343 HydrophobicContact CB-CD2 4.48Å; L341-Y343 HydrophobicContact CB-CE1 4.43Å; L341-Y343 HydrophobicContact CB-CE2 3.63Å; L341-Y343 VanDerWaalsContact CD1-OH 3.25Å; L341-Y343 WeakPolarHBondContact CD1-OH 3.25Å; Y343-V380 HydrophobicContact CD1-CB 4.31Å; Y343-V380 HydrophobicContact CD1-CG1 3.92Å; Y343-V380 HydrophobicContact CD1-CG2 3.44Å; Y343-V380 VanDerWaalsContact CD1-CG2 3.44Å; Y343-V380 HydrophobicContact CE1-CG1 3.88Å; Y343-V380 HydrophobicContact CE1-CG2 4.01Å; Y343-V380 HydrophobicContact CG-CG2 4.28Å
344	N	92.3	Very high	91.8	Very high	47 Å²	47	36.9 Å²	36.9	25%	0.251	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.2	177.9	177.7	20.2	0	0	0	111.4	V306 V307 S346 P378 N379	V306-N344 PolarHBondContact O-OD1 3.12Å; V307-N344 HydrophobicContact CG2-CB 4.33Å; N344-S346 PolarHBondContact ND2-OG 3.28Å; N344-S346 VanDerWaalsContact OD1-CB 3.23Å; N344-S346 WeakPolarHBondContact OD1-CB 3.46Å; N344-S346 PolarHBondContact OD1-N 3.49Å; N344-S346 PolarHBondContact OD1-OG 3.3Å; N344-P378 WeakPolarHBondContact O-CA 3.42Å; N344-N379 HydrophobicContact CB-CB 4.45Å; N344-N379 PolarHBondContact N-O 3.37Å; N344-N379 PolarHBondContact O-N 3.44Å
345	D	92.4	Very high	92.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.011	20%	0.198	C	C	.	.			trans	-98.9	8.5	-174.6	-72.2	31.7	0	0	0	112.1	V306 E347 V348 R369 P378	V306-D345 PolarHBondContact O-N 2.88Å; D345-E347 PolarHBondContact O-N 3.35Å; D345-V348 HydrophobicContact CB-CB 4.24Å; D345-V348 HydrophobicContact CB-CG2 4.25Å; D345-V348 WeakPolarHBondContact O-CB 3.31Å; D345-V348 PolarHBondContact O-N 3Å; D345-R369 HydrophobicContact CB-CB 4.21Å; D345-R369 HydrophobicContact CB-CG 3.95Å; D345-R369 PolarHBondContact O-NH1 3.11Å; D345-R369 VanDerWaalsContact OD2-CB 3.3Å; D345-R369 WeakPolarHBondContact OD2-CB 3.45Å; D345-P378 WeakPolarHBondContact OD1-CB 3.33Å
346	S	90.6	Very high	92.2	Very high	66 Å²	66	43.9 Å²	43.9	46%	0.462	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.3	-176.7	67.3	0	0	0	0	114.2	N344	N344-S346 PolarHBondContact ND2-OG 3.28Å; N344-S346 VanDerWaalsContact OD1-CB 3.23Å; N344-S346 WeakPolarHBondContact OD1-CB 3.46Å; N344-S346 PolarHBondContact OD1-N 3.49Å; N344-S346 PolarHBondContact OD1-OG 3.3Å
347	E	91.6	Very high	92.2	Very high	104 Å²	104	41.9 Å²	41.9	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-2.4	177	-56.8	-164.7	141.6	0	0	113.8	D345 R376	D345-E347 PolarHBondContact O-N 3.35Å; E347-R376 HydrophobicContact CB-CB 4.4Å; E347-R376 WeakPolarHBondContact O-CB 3.25Å; E347-R376 IonicContact OE1-CZ 3.92Å; E347-R376 IonicContact OE1-NH1 3.1Å; E347-R376 PolarHBondContact OE1-NH1 3.26Å; E347-R376 WeakPolarHBondContact OE2-CD 3.46Å; E347-R376 IonicContact OE2-CZ 2.74Å; E347-R376 IonicContact OE2-NE 2.77Å; E347-R376 IonicContact OE2-NH1 3.72Å; E347-R376 PolarHBondContact OE2-NH1 3.27Å
348	V	93.3	Very high	91.8	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.242	C	C	.	.	S	Bend	trans	-81.8	136.5	178.3	-179.6	0	0	0	0	109.3	D345 R369 P371 P378	D345-V348 HydrophobicContact CB-CB 4.24Å; D345-V348 HydrophobicContact CB-CG2 4.25Å; D345-V348 WeakPolarHBondContact O-CB 3.31Å; D345-V348 PolarHBondContact O-N 3Å; V348-R369 HydrophobicContact CB-CB 4.47Å; V348-R369 HydrophobicContact CG1-CB 4.08Å; V348-R369 VanDerWaalsContact O-CD 3.31Å; V348-R369 WeakPolarHBondContact O-CD 3.23Å; V348-R369 PolarHBondContact O-NH1 3.03Å; V348-P371 HydrophobicContact CG1-CB 4.14Å; V348-P371 HydrophobicContact CG1-CG 4.5Å; V348-P378 HydrophobicContact CG2-CB 4.1Å
349	N	92.9	Very high	91.3	Very high	101 Å²	101	55.1 Å²	55.1	54%	0.54	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-69.9	150.7	179.8	-71.6	-38.2	0	0	0	112.1	R369 Y370	N349-R369 WeakPolarHBondContact O-CA 3.5Å; N349-Y370 PolarHBondContact O-N 2.98Å
350	E	90.8	Very high	90.7	Very high	74 Å²	74	59.1 Å²	59.1	35%	0.346	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.5	172.6	-74.9	172.6	-152.9	0	0	111	K352 S367 Q368 R369	E350-K352 WeakPolarHBondContact OE2-CE 3.39Å; E350-K352 IonicContact OE2-NZ 2.77Å; E350-K352 PolarHBondContact OE2-NZ 3.35Å; E350-S367 WeakPolarHBondContact CB-OG 3.35Å; E350-S367 WeakPolarHBondContact CG-OG 3.13Å; E350-S367 PolarHBondContact OE2-OG 3.23Å; E350-Q368 CarbonylContact C-O 3.59Å; E350-Q368 WeakPolarHBondContact CA-O 3.32Å; E350-R369 IonicContact OE1-CZ 3.06Å; E350-R369 VanDerWaalsContact OE1-CZ 3.29Å; E350-R369 IonicContact OE1-NE 3.73Å; E350-R369 PolarHBondContact OE1-NE 3.09Å; E350-R369 IonicContact OE1-NH2 3.79Å; E350-R369 PolarHBondContact OE1-NH2 3.2Å
351	Y	90.9	Very high	90.4	Very high	35 Å²	35	68.3 Å²	68.3	14%	0.137	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	146.9	155	178.3	-114.3	0	0	0	109.4	Y353 S367 Q368 H907	Y351-Y353 HydrophobicContact CD1-CD1 4.05Å; Y351-Y353 AromaticContact CE1-CD1 3.92Å; Y351-Y353 HydrophobicContact CE1-CD1 3.92Å; Y351-Y353 HydrophobicContact CE1-CG 4.26Å; Y351-S367 CarbonylContact O-C 3.6Å; Y351-S367 WeakPolarHBondContact O-CA 3.17Å; Y351-S367 PolarHBondContact O-OG 3Å; Y351-Q368 PolarHBondContact N-O 2.77Å; Y351-Q368 PolarHBondContact O-N 3.16Å; Y351-H907 AromaticContact CD1-CD2 3.32Å; Y351-H907 WeakPolarHBondContact CD1-CD2 3.39Å; Y351-H907 AromaticContact CD1-CE1 3.64Å; Y351-H907 AromaticContact CD1-CG 3.72Å; Y351-H907 AromaticContact CD1-ND1 3.89Å; Y351-H907 AromaticContact CD1-NE2 3.27Å; Y351-H907 VanDerWaalsContact CD1-NE2 3.27Å; Y351-H907 WeakPolarHBondContact CD1-NE2 3.26Å; Y351-H907 AromaticContact CD2-CE1 3.86Å; Y351-H907 AromaticContact CD2-ND1 3.68Å; Y351-H907 HydrophobicContact CE1-CB 3.91Å; Y351-H907 AromaticContact CE1-CD2 3.36Å; Y351-H907 WeakPolarHBondContact CE1-CD2 3.36Å; Y351-H907 AromaticContact CE1-CG 3.54Å; Y351-H907 AromaticContact CE1-NE2 3.86Å; Y351-H907 HydrophobicContact CE2-CB 4.03Å; Y351-H907 AromaticContact CE2-CG 3.93Å; Y351-H907 AromaticContact CE2-ND1 3.91Å; Y351-H907 AromaticContact CG-CD2 3.9Å; Y351-H907 AromaticContact CG-CE1 3.41Å; Y351-H907 VanDerWaalsContact CG-CE1 3.41Å; Y351-H907 AromaticContact CG-CG 3.97Å; Y351-H907 AromaticContact CG-ND1 3.67Å; Y351-H907 AromaticContact CG-NE2 3.54Å; Y351-H907 AromaticContact CZ-CG 3.67Å
352	K	91.9	Very high	90.3	Very high	117 Å²	117	77.8 Å²	77.8	51%	0.509	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.2	179.6	-57.8	-163	-176.5	-150.4	0	110.7	E350 V365 M366 S367	E350-K352 WeakPolarHBondContact OE2-CE 3.39Å; E350-K352 IonicContact OE2-NZ 2.77Å; E350-K352 PolarHBondContact OE2-NZ 3.35Å; K352-V365 HydrophobicContact CB-CG1 3.9Å; K352-V365 HydrophobicContact CD-CG1 4.34Å; K352-M366 VanDerWaalsContact CA-O 3.25Å; K352-M366 WeakPolarHBondContact CA-O 3.12Å; K352-S367 WeakPolarHBondContact CE-OG 3.33Å
353	Y	91.4	Very high	90.1	Very high	30 Å²	30	80 Å²	80	12%	0.118	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.9	-176.5	61.9	-84.7	0	0	0	111.4	Y351 W355 V365 M366 A902 T904	Y351-Y353 HydrophobicContact CD1-CD1 4.05Å; Y351-Y353 AromaticContact CE1-CD1 3.92Å; Y351-Y353 HydrophobicContact CE1-CD1 3.92Å; Y351-Y353 HydrophobicContact CE1-CG 4.26Å; Y353-W355 HydrophobicContact CE2-CE3 4.4Å; Y353-V365 CarbonylContact O-C 3.5Å; Y353-V365 WeakPolarHBondContact O-CA 3.46Å; Y353-M366 HydrophobicContact CD1-CB 4.1Å; Y353-M366 HydrophobicContact CD2-CB 4Å; Y353-M366 HydrophobicContact CE1-CB 3.65Å; Y353-M366 HydrophobicContact CE2-CB 3.53Å; Y353-M366 HydrophobicContact CE2-CG 3.94Å; Y353-M366 HydrophobicContact CG-CB 4.27Å; Y353-M366 PolarHBondContact N-O 3.09Å; Y353-M366 PolarHBondContact O-N 2.83Å; Y353-A902 HydrophobicContact CD2-CB 4.1Å; Y353-A902 HydrophobicContact CE2-CB 3.75Å; Y353-T904 HydrophobicContact CE1-CG2 4.27Å
354	T	91.2	Very high	89.9	Confident	75 Å²	75	81.7 Å²	81.7	46%	0.46	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.1	179.6	-53.7	0	0	0	0	109.9	M356 P363 A364	T354-M356 HydrophobicContact CG2-SD 4.18Å; T354-P363 HydrophobicContact CG2-CB 3.44Å; T354-P363 VanDerWaalsContact CG2-CB 3.44Å; T354-P363 HydrophobicContact CG2-CG 4.39Å; T354-A364 WeakPolarHBondContact CA-O 3.4Å
355	W	92	Very high	89.8	Confident	81 Å²	81	84.3 Å²	84.3	31%	0.307	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.2	173.1	-179.1	-92.9	0	0	0	109.3	Y353 P363 A364 M366 A902 D932	Y353-W355 HydrophobicContact CE2-CE3 4.4Å; W355-P363 CarbonylContact O-C 3.56Å; W355-P363 VanDerWaalsContact O-CA 3.29Å; W355-P363 WeakPolarHBondContact O-CA 3.21Å; W355-P363 WeakPolarHBondContact O-CB 3.43Å; W355-A364 HydrophobicContact CB-CB 4.44Å; W355-A364 PolarHBondContact N-O 2.73Å; W355-A364 PolarHBondContact O-N 3.3Å; W355-M366 HydrophobicContact CB-CG 3.7Å; W355-M366 HydrophobicContact CG-CG 4.28Å; W355-A902 HydrophobicContact CE3-CB 3.94Å; W355-A902 HydrophobicContact CZ3-CB 3.8Å; W355-D932 WeakPolarHBondContact CA-OD1 3.28Å; W355-D932 HydrophobicContact CD2-CB 4.24Å; W355-D932 HydrophobicContact CE3-CB 3.87Å; W355-D932 HydrophobicContact CH2-CB 3.83Å; W355-D932 HydrophobicContact CZ2-CB 4.19Å; W355-D932 HydrophobicContact CZ3-CB 3.65Å; W355-D932 WeakPolarHBondContact CZ3-O 3.47Å
356	M	90.8	Very high	89.6	Confident	90 Å²	90	86.9 Å²	86.9	44%	0.443	44%	0.44	S	S	.	.			trans	-75.3	-50.4	-175.1	-56.7	-63.8	-64	0	0	110.8	T354 I360 P363 P931 D932	T354-M356 HydrophobicContact CG2-SD 4.18Å; M356-I360 WeakPolarHBondContact O-CB 3.35Å; M356-P363 HydrophobicContact CE-CG 3.71Å; M356-P363 HydrophobicContact SD-CB 3.92Å; M356-P363 HydrophobicContact SD-CG 3.55Å; M356-P363 VanDerWaalsContact SD-CG 3.55Å; M356-P931 HydrophobicContact CG-CB 4.42Å; M356-D932 WeakPolarHBondContact CA-OD2 3.49Å; M356-D932 WeakPolarHBondContact CB-OD2 3.37Å; M356-D932 PolarHBondContact N-OD1 2.93Å; M356-D932 PolarHBondContact N-OD2 2.74Å; M356-D932 VanDerWaalsContact N-OD2 3.15Å
357	G	87.4	Confident	89.5	Confident	17 Å²	17	84.6 Å²	84.6	18%	0.175	42%	0.424	C	S	.	.			trans	69.7	150.6	-177.5	0	0	0	0	0	114.1	D359 D932	G357-D359 VanDerWaalsContact C-N 3.34Å; G357-D359 PolarHBondContact O-N 2.74Å; G357-D932 PolarHBondContact N-OD2 2.77Å
358	D	83.4	Confident	89.4	Confident	136 Å²	136	81.8 Å²	81.8	73%	0.727	41%	0.411	S	S	*	.	S	Bend	trans	-69.9	-27.3	-174.5	-62	-65.9	0	0	0	113.4	R939	D358-R939 IonicContact OD1-NH2 2.85Å; D358-R939 IonicContact OD2-NH2 2.71Å
359	D	82.8	Confident	89.2	Confident	165 Å²	165	83.3 Å²	83.3	88%	0.882	42%	0.416	S	S	*	.	S	Bend	trans	-123	9.6	-176	-88.1	-56.1	0	0	0	114.8	G357	G357-D359 VanDerWaalsContact C-N 3.34Å; G357-D359 PolarHBondContact O-N 2.74Å
360	I	84.1	Confident	89.3	Confident	85 Å²	85	78.7 Å²	78.7	44%	0.436	39%	0.391	S	S	.	.			trans	-96.4	121.6	-171.6	-35.7	178.7	0	0	0	111.7	M356 Y362	M356-I360 WeakPolarHBondContact O-CB 3.35Å; I360-Y362 VanDerWaalsContact C-N 3.34Å; I360-Y362 WeakPolarHBondContact CG2-O 3.48Å; I360-Y362 PolarHBondContact O-N 2.84Å
361	K	88.7	Confident	89.4	Confident	194 Å²	194	75.2 Å²	75.2	84%	0.843	38%	0.375	S	S	*	.	S	Bend	trans	-73.8	-20.6	-179.2	-69.5	-178.2	179.4	175.1	0	115
362	Y	90.4	Very high	89.6	Confident	199 Å²	199	75.9 Å²	75.9	78%	0.78	38%	0.379	S	S	*	.	S	Bend	trans	-135.3	114.3	177.5	-67.1	-78.1	0	0	0	106.7	I360 A364	I360-Y362 VanDerWaalsContact C-N 3.34Å; I360-Y362 WeakPolarHBondContact CG2-O 3.48Å; I360-Y362 PolarHBondContact O-N 2.84Å; Y362-A364 PolarHBondContact O-N 2.86Å
363	P	90.3	Very high	89.7	Confident	59 Å²	59	71 Å²	71	38%	0.383	36%	0.359	S	S	.	.			trans	-51.7	135.6	-176.4	-31.4	37.6	0	0	0	112.6	T354 W355 M356	T354-P363 HydrophobicContact CG2-CB 3.44Å; T354-P363 VanDerWaalsContact CG2-CB 3.44Å; T354-P363 HydrophobicContact CG2-CG 4.39Å; W355-P363 CarbonylContact O-C 3.56Å; W355-P363 VanDerWaalsContact O-CA 3.29Å; W355-P363 WeakPolarHBondContact O-CA 3.21Å; W355-P363 WeakPolarHBondContact O-CB 3.43Å; M356-P363 HydrophobicContact CE-CG 3.71Å; M356-P363 HydrophobicContact SD-CB 3.92Å; M356-P363 HydrophobicContact SD-CG 3.55Å; M356-P363 VanDerWaalsContact SD-CG 3.55Å
364	A	89.8	Confident	89.6	Confident	36 Å²	36	71.9 Å²	71.9	30%	0.298	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	156.1	176.7	0	0	0	0	0	110.5	T354 W355 Y362	T354-A364 WeakPolarHBondContact CA-O 3.4Å; W355-A364 HydrophobicContact CB-CB 4.44Å; W355-A364 PolarHBondContact N-O 2.73Å; W355-A364 PolarHBondContact O-N 3.3Å; Y362-A364 PolarHBondContact O-N 2.86Å
365	V	90	Very high	89.7	Confident	102 Å²	102	69.3 Å²	69.3	62%	0.618	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.6	168.7	179.6	0	0	0	0	107.7	K352 Y353	K352-V365 HydrophobicContact CB-CG1 3.9Å; K352-V365 HydrophobicContact CD-CG1 4.34Å; Y353-V365 CarbonylContact O-C 3.5Å; Y353-V365 WeakPolarHBondContact O-CA 3.46Å
366	M	88.5	Confident	89.8	Confident	56 Å²	56	72.3 Å²	72.3	28%	0.276	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	155.2	173	-66.9	-61.7	-71.7	0	0	110	K352 Y353 W355	K352-M366 VanDerWaalsContact CA-O 3.25Å; K352-M366 WeakPolarHBondContact CA-O 3.12Å; Y353-M366 HydrophobicContact CD1-CB 4.1Å; Y353-M366 HydrophobicContact CD2-CB 4Å; Y353-M366 HydrophobicContact CE1-CB 3.65Å; Y353-M366 HydrophobicContact CE2-CB 3.53Å; Y353-M366 HydrophobicContact CE2-CG 3.94Å; Y353-M366 HydrophobicContact CG-CB 4.27Å; Y353-M366 PolarHBondContact N-O 3.09Å; Y353-M366 PolarHBondContact O-N 2.83Å; W355-M366 HydrophobicContact CB-CG 3.7Å; W355-M366 HydrophobicContact CG-CG 4.28Å
367	S	87.7	Confident	89.9	Confident	17 Å²	17	69 Å²	69	12%	0.119	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.4	179.1	-162.9	0	0	0	0	110.5	T304 E350 Y351 K352	T304-S367 VanDerWaalsContact CG2-O 3.28Å; T304-S367 WeakPolarHBondContact CG2-O 3.2Å; E350-S367 WeakPolarHBondContact CB-OG 3.35Å; E350-S367 WeakPolarHBondContact CG-OG 3.13Å; E350-S367 PolarHBondContact OE2-OG 3.23Å; Y351-S367 CarbonylContact O-C 3.6Å; Y351-S367 WeakPolarHBondContact O-CA 3.17Å; Y351-S367 PolarHBondContact O-OG 3Å; K352-S367 WeakPolarHBondContact CE-OG 3.33Å
368	Q	88.2	Confident	90.1	Very high	46 Å²	46	68.5 Å²	68.5	22%	0.215	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.4	176.9	178.1	53.6	65.7	0	0	109.1	W314 E350 Y351 Y370	W314-Q368 HydrophobicContact CG-CG 4.24Å; E350-Q368 CarbonylContact C-O 3.59Å; E350-Q368 WeakPolarHBondContact CA-O 3.32Å; Y351-Q368 PolarHBondContact N-O 2.77Å; Y351-Q368 PolarHBondContact O-N 3.16Å; Q368-Y370 PolarHBondContact O-N 3.31Å
369	R	91	Very high	90.5	Very high	35 Å²	35	66.4 Å²	66.4	13%	0.132	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	121.6	168.7	-65.9	-73.6	168.7	151.3	-6.8	108.4	D345 V348 N349 E350	D345-R369 HydrophobicContact CB-CB 4.21Å; D345-R369 HydrophobicContact CB-CG 3.95Å; D345-R369 PolarHBondContact O-NH1 3.11Å; D345-R369 VanDerWaalsContact OD2-CB 3.3Å; D345-R369 WeakPolarHBondContact OD2-CB 3.45Å; V348-R369 HydrophobicContact CB-CB 4.47Å; V348-R369 HydrophobicContact CG1-CB 4.08Å; V348-R369 VanDerWaalsContact O-CD 3.31Å; V348-R369 WeakPolarHBondContact O-CD 3.23Å; V348-R369 PolarHBondContact O-NH1 3.03Å; N349-R369 WeakPolarHBondContact O-CA 3.5Å; E350-R369 IonicContact OE1-CZ 3.06Å; E350-R369 VanDerWaalsContact OE1-CZ 3.29Å; E350-R369 IonicContact OE1-NE 3.73Å; E350-R369 PolarHBondContact OE1-NE 3.09Å; E350-R369 IonicContact OE1-NH2 3.79Å; E350-R369 PolarHBondContact OE1-NH2 3.2Å
370	Y	93.1	Very high	91	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.012	30%	0.303	C	S	.	.			trans	-145.4	110.8	-174.7	-170.1	-79.3	0	0	0	110.8	W314 N349 Q368 K372 H859 Y860 T904 L905 H907	W314-Y370 HydrophobicContact CD2-CD2 4.17Å; W314-Y370 AromaticContact CE3-CD2 3.83Å; W314-Y370 HydrophobicContact CE3-CD2 3.83Å; W314-Y370 HydrophobicContact CE3-CE2 4.3Å; W314-Y370 AromaticContact CH2-CD2 3.73Å; W314-Y370 HydrophobicContact CH2-CD2 3.73Å; W314-Y370 AromaticContact CH2-CE2 3.33Å; W314-Y370 HydrophobicContact CH2-CE2 3.33Å; W314-Y370 HydrophobicContact CZ2-CD2 4.02Å; W314-Y370 AromaticContact CZ2-CE2 3.72Å; W314-Y370 HydrophobicContact CZ2-CE2 3.72Å; W314-Y370 AromaticContact CZ3-CD2 3.59Å; W314-Y370 HydrophobicContact CZ3-CD2 3.59Å; W314-Y370 AromaticContact CZ3-CE2 3.62Å; W314-Y370 HydrophobicContact CZ3-CE2 3.62Å; W314-Y370 HydrophobicContact CZ3-CG 4.36Å; N349-Y370 PolarHBondContact O-N 2.98Å; Q368-Y370 PolarHBondContact O-N 3.31Å; Y370-K372 HydrophobicContact CD1-CG 3.71Å; Y370-K372 HydrophobicContact CE1-CG 3.89Å; Y370-K372 PolarHBondContact O-N 3.13Å; Y370-K372 VanDerWaalsContact O-N 3.13Å; Y370-H859 PolarHBondContact OH-ND1 2.74Å; Y370-Y860 PolarHBondContact OH-N 3.14Å; Y370-T904 WeakPolarHBondContact CE2-O 3.4Å; Y370-L905 PolarHBondContact OH-O 2.98Å; Y370-H907 AromaticContact CD1-CE1 3.56Å; Y370-H907 AromaticContact CD2-CE1 3.47Å; Y370-H907 VanDerWaalsContact CD2-CE1 3.47Å; Y370-H907 WeakPolarHBondContact CD2-CE1 3.47Å; Y370-H907 AromaticContact CD2-NE2 3.27Å; Y370-H907 VanDerWaalsContact CD2-NE2 3.27Å; Y370-H907 WeakPolarHBondContact CD2-NE2 3.3Å; Y370-H907 AromaticContact CE1-CE1 3.67Å; Y370-H907 AromaticContact CE2-CE1 3.57Å; Y370-H907 AromaticContact CE2-NE2 3.41Å; Y370-H907 WeakPolarHBondContact CE2-NE2 3.27Å; Y370-H907 AromaticContact CG-CE1 3.44Å; Y370-H907 VanDerWaalsContact CG-CE1 3.44Å; Y370-H907 AromaticContact CG-NE2 3.7Å; Y370-H907 AromaticContact CZ-CE1 3.65Å; Y370-H907 AromaticContact CZ-NE2 3.95Å
371	P	94.4	Very high	91.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	29%	0.292	C	S	.	.			trans	-80.7	94.3	179.9	31.7	-32.6	0	0	0	110.7	M315 V348 R376 Y860 S861	M315-P371 HydrophobicContact CB-CG 4.06Å; M315-P371 HydrophobicContact CG-CG 4.05Å; M315-P371 HydrophobicContact SD-CG 3.54Å; M315-P371 VanDerWaalsContact SD-CG 3.54Å; V348-P371 HydrophobicContact CG1-CB 4.14Å; V348-P371 HydrophobicContact CG1-CG 4.5Å; P371-R376 WeakPolarHBondContact CB-O 3.06Å; P371-Y860 CarbonylContact O-C 3.57Å; P371-Y860 WeakPolarHBondContact O-CA 3.46Å; P371-S861 PolarHBondContact O-N 2.85Å; P371-S861 PolarHBondContact O-OG 3.05Å
372	K	94.5	Very high	91.7	Very high	50 Å²	50	47.8 Å²	47.8	22%	0.217	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-64.7	156.9	171.7	-67.1	-174.6	170.3	171.6	0	112.2	Y370 G374 S375 F858 H859 E909	Y370-K372 HydrophobicContact CD1-CG 3.71Å; Y370-K372 HydrophobicContact CE1-CG 3.89Å; Y370-K372 PolarHBondContact O-N 3.13Å; Y370-K372 VanDerWaalsContact O-N 3.13Å; K372-G374 PolarHBondContact O-N 2.65Å; K372-S375 PolarHBondContact N-OG 2.74Å; K372-S375 VanDerWaalsContact N-OG 3.14Å; K372-S375 VanDerWaalsContact O-CB 3.23Å; K372-S375 WeakPolarHBondContact O-CB 3.43Å; K372-S375 PolarHBondContact O-N 3.14Å; K372-S375 PolarHBondContact O-OG 3.27Å; K372-F858 WeakPolarHBondContact CD-O 3.31Å; K372-F858 VanDerWaalsContact CE-O 3.26Å; K372-F858 WeakPolarHBondContact CE-O 3.47Å; K372-F858 WeakPolarHBondContact CG-O 3.3Å; K372-H859 WeakPolarHBondContact CA-O 3.4Å; K372-E909 WeakPolarHBondContact CE-OE1 3.43Å; K372-E909 IonicContact NZ-OE1 2.66Å; K372-E909 PolarHBondContact NZ-OE1 3.45Å; K372-E909 IonicContact NZ-OE2 3.29Å; K372-E909 PolarHBondContact NZ-OE2 3.37Å
373	T	93.4	Very high	91.9	Very high	15 Å²	15	39.1 Å²	39.1	9%	0.092	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.6	128.7	173	-50.8	0	0	0	0	112.9	S375 F856 H859 T864 E865 L870 Y874	T373-S375 PolarHBondContact O-N 3Å; T373-F856 PolarHBondContact OG1-O 2.93Å; T373-H859 PolarHBondContact N-O 2.84Å; T373-H859 PolarHBondContact OG1-O 3.24Å; T373-H859 VanDerWaalsContact OG1-O 3.08Å; T373-T864 HydrophobicContact CG2-CG2 3.49Å; T373-T864 VanDerWaalsContact CG2-CG2 3.49Å; T373-T864 WeakPolarHBondContact OG1-CB 3.5Å; T373-T864 WeakPolarHBondContact OG1-CG2 3.5Å; T373-T864 PolarHBondContact OG1-OG1 2.98Å; T373-E865 HydrophobicContact CG2-CG 3.93Å; T373-L870 HydrophobicContact CG2-CD2 4.34Å; T373-Y874 HydrophobicContact CG2-CE2 4.32Å; T373-Y874 VanDerWaalsContact CG2-OH 3.26Å; T373-Y874 WeakPolarHBondContact CG2-OH 3.42Å
374	G	90.6	Very high	92.1	Very high	47 Å²	47	36.5 Å²	36.5	49%	0.485	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-7.6	-179.3	0	0	0	0	0	115.8	K372 E865	K372-G374 PolarHBondContact O-N 2.65Å; G374-E865 PolarHBondContact N-OE1 2.88Å
375	S	93.1	Very high	92.3	Very high	21 Å²	21	34.8 Å²	34.8	15%	0.147	19%	0.188	C	C	.	.	S	Bend	trans	-82.7	-169.4	179.3	78.4	0	0	0	0	112.8	K372 T373 R428	K372-S375 PolarHBondContact N-OG 2.74Å; K372-S375 VanDerWaalsContact N-OG 3.14Å; K372-S375 VanDerWaalsContact O-CB 3.23Å; K372-S375 WeakPolarHBondContact O-CB 3.43Å; K372-S375 PolarHBondContact O-N 3.14Å; K372-S375 PolarHBondContact O-OG 3.27Å; T373-S375 PolarHBondContact O-N 3Å; S375-R428 VanDerWaalsContact O-CZ 3.28Å; S375-R428 PolarHBondContact O-NH1 2.82Å; S375-R428 PolarHBondContact O-NH2 2.92Å
376	R	93.1	Very high	92.4	Very high	144 Å²	144	33.2 Å²	33.2	54%	0.543	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-86.2	134.2	175.5	-69	-171.7	-177.7	-143.4	11.8	110.4	E347 P371	E347-R376 HydrophobicContact CB-CB 4.4Å; E347-R376 WeakPolarHBondContact O-CB 3.25Å; E347-R376 IonicContact OE1-CZ 3.92Å; E347-R376 IonicContact OE1-NH1 3.1Å; E347-R376 PolarHBondContact OE1-NH1 3.26Å; E347-R376 WeakPolarHBondContact OE2-CD 3.46Å; E347-R376 IonicContact OE2-CZ 2.74Å; E347-R376 IonicContact OE2-NE 2.77Å; E347-R376 IonicContact OE2-NH1 3.72Å; E347-R376 PolarHBondContact OE2-NH1 3.27Å; P371-R376 WeakPolarHBondContact CB-O 3.06Å
377	N	93.2	Very high	92.5	Very high	20 Å²	20	30.8 Å²	30.8	11%	0.107	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-87.3	159.5	175.9	-66.7	-9.5	0	0	0	110.5	Y409 S861	N377-Y409 HydrophobicContact CB-CE1 4.45Å; N377-Y409 VanDerWaalsContact ND2-CE1 3.27Å; N377-Y409 WeakPolarHBondContact ND2-CE1 3.46Å; N377-Y409 VanDerWaalsContact ND2-CZ 3.28Å; N377-Y409 PolarHBondContact ND2-OH 3.09Å; N377-S861 WeakPolarHBondContact OD1-CB 3.46Å; N377-S861 PolarHBondContact OD1-OG 2.83Å
378	P	92.2	Very high	92.3	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.052	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-59	138.5	171.9	25.5	-35.8	0	0	0	111.2	M315 Y316 N344 D345 V348 V380	M315-P378 HydrophobicContact CE-CG 3.6Å; M315-P378 HydrophobicContact SD-CG 4.43Å; Y316-P378 HydrophobicContact CD2-CG 4.32Å; Y316-P378 HydrophobicContact CE2-CG 4.19Å; N344-P378 WeakPolarHBondContact O-CA 3.42Å; D345-P378 WeakPolarHBondContact OD1-CB 3.33Å; V348-P378 HydrophobicContact CG2-CB 4.1Å; P378-V380 PolarHBondContact O-N 2.89Å
379	N	92.3	Very high	92	Very high	92 Å²	92	34.3 Å²	34.3	49%	0.492	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	106	178.9	-178.5	7.3	0	0	0	109.4	N344	N344-N379 HydrophobicContact CB-CB 4.45Å; N344-N379 PolarHBondContact N-O 3.37Å; N344-N379 PolarHBondContact O-N 3.44Å
380	V	92.4	Very high	91.6	Very high	18 Å²	18	34.4 Å²	34.4	11%	0.109	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.9	-174	-174.9	0	0	0	0	111.3	Y316 L341 S342 Y343 P378 V410	Y316-V380 HydrophobicContact CD2-CG2 4.24Å; Y316-V380 HydrophobicContact CE2-CG2 3.44Å; Y316-V380 VanDerWaalsContact CE2-CG2 3.44Å; Y316-V380 WeakPolarHBondContact OH-CG2 2.98Å; L341-V380 HydrophobicContact CB-CG1 4.35Å; L341-V380 HydrophobicContact CD2-CG1 4.44Å; S342-V380 WeakPolarHBondContact O-CA 3.28Å; Y343-V380 HydrophobicContact CD1-CB 4.31Å; Y343-V380 HydrophobicContact CD1-CG1 3.92Å; Y343-V380 HydrophobicContact CD1-CG2 3.44Å; Y343-V380 VanDerWaalsContact CD1-CG2 3.44Å; Y343-V380 HydrophobicContact CE1-CG1 3.88Å; Y343-V380 HydrophobicContact CE1-CG2 4.01Å; Y343-V380 HydrophobicContact CG-CG2 4.28Å; P378-V380 PolarHBondContact O-N 2.89Å; V380-V410 HydrophobicContact CB-CG2 4.42Å; V380-V410 HydrophobicContact CG1-CB 4.25Å; V380-V410 HydrophobicContact CG1-CG2 4.12Å
381	T	92.8	Very high	90.9	Very high	32 Å²	32	41.9 Å²	41.9	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.6	-176.2	63.3	0	0	0	0	111	L341 S342 N383 Q397	L341-T381 WeakPolarHBondContact CA-O 3.41Å; S342-T381 PolarHBondContact N-O 2.94Å; S342-T381 PolarHBondContact O-N 2.83Å; S342-T381 PolarHBondContact O-OG1 2.7Å; T381-N383 PolarHBondContact O-ND2 3.18Å; T381-N383 PolarHBondContact OG1-ND2 3.44Å; T381-Q397 VanDerWaalsContact CG2-NE2 3.33Å
382	V	93.8	Very high	90.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.3	175.2	-171.4	0	0	0	0	108.9	L341 I398 L400 V410 L413 L421 V423	L341-V382 HydrophobicContact CD2-CB 4.34Å; L341-V382 HydrophobicContact CD2-CG1 4.45Å; L341-V382 HydrophobicContact CD2-CG2 3.77Å; V382-I398 HydrophobicContact CB-CB 4.3Å; V382-I398 HydrophobicContact CG1-CB 4.42Å; V382-I398 HydrophobicContact CG1-CD1 3.86Å; V382-I398 HydrophobicContact CG1-CG1 4.38Å; V382-I398 PolarHBondContact O-N 3.24Å; V382-L400 HydrophobicContact CG2-CD1 4.34Å; V382-V410 HydrophobicContact CG2-CG1 4.25Å; V382-L413 HydrophobicContact CG1-CD2 3.87Å; V382-L413 HydrophobicContact CG2-CD2 4.44Å; V382-L421 HydrophobicContact CG1-CD2 4.23Å; V382-V423 HydrophobicContact CG1-CG2 4.31Å; V382-V423 HydrophobicContact CG2-CG1 3.94Å; V382-V423 HydrophobicContact CG2-CG2 4.37Å
383	N	95.3	Very high	89.7	Confident	17 Å²	17	46.9 Å²	46.9	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.4	-179.8	-64.1	-72.9	0	0	0	110	A339 F340 S342 T381 T396 Q397	A339-N383 CarbonylContact C-O 3.53Å; A339-N383 WeakPolarHBondContact CA-O 3.41Å; F340-N383 HydrophobicContact CD1-CB 4.25Å; F340-N383 HydrophobicContact CD2-CB 4.01Å; F340-N383 HydrophobicContact CE1-CB 3.86Å; F340-N383 HydrophobicContact CE2-CB 3.61Å; F340-N383 HydrophobicContact CG-CB 4.33Å; F340-N383 HydrophobicContact CZ-CB 3.53Å; F340-N383 PolarHBondContact N-O 3.48Å; F340-N383 PolarHBondContact O-N 3Å; S342-N383 WeakPolarHBondContact CB-ND2 2.94Å; S342-N383 PolarHBondContact OG-ND2 3.22Å; S342-N383 VanDerWaalsContact OG-ND2 3.08Å; T381-N383 PolarHBondContact O-ND2 3.18Å; T381-N383 PolarHBondContact OG1-ND2 3.44Å; N383-T396 WeakPolarHBondContact CA-O 3.33Å; N383-Q397 VanDerWaalsContact OD1-CA 3.23Å; N383-Q397 WeakPolarHBondContact OD1-CA 3.32Å; N383-Q397 WeakPolarHBondContact OD1-CB 3.46Å
384	V	95.1	Very high	89.4	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.8	175.5	63.6	0	0	0	0	110.7	F337 L338 T396 I398 W415 F443	F337-V384 HydrophobicContact CB-CG2 4.14Å; F337-V384 HydrophobicContact CD1-CG2 4.2Å; L338-V384 WeakPolarHBondContact O-CA 3.19Å; V384-T396 PolarHBondContact N-O 2.82Å; V384-T396 PolarHBondContact O-N 2.95Å; V384-I398 HydrophobicContact CB-CD1 4.1Å; V384-I398 HydrophobicContact CB-CG1 4.43Å; V384-I398 HydrophobicContact CG1-CD1 3.81Å; V384-I398 HydrophobicContact CG1-CG1 3.79Å; V384-W415 HydrophobicContact CG2-CH2 4.28Å; V384-F443 HydrophobicContact CG1-CD1 4.27Å; V384-F443 HydrophobicContact CG1-CD2 3.59Å; V384-F443 HydrophobicContact CG1-CE1 4.35Å; V384-F443 HydrophobicContact CG1-CE2 3.69Å; V384-F443 HydrophobicContact CG1-CG 3.89Å; V384-F443 HydrophobicContact CG1-CZ 4.08Å; V384-F443 HydrophobicContact CG2-CE1 4.22Å; V384-F443 HydrophobicContact CG2-CE2 4.12Å; V384-F443 HydrophobicContact CG2-CZ 3.81Å
385	V	93.9	Very high	89.5	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.7	175.3	64.7	0	0	0	0	110.6	I291 F337 L338 L387 I393	I291-V385 HydrophobicContact CD1-CG1 4.29Å; I291-V385 HydrophobicContact CG2-CB 4.21Å; I291-V385 HydrophobicContact CG2-CG1 3.97Å; I291-V385 HydrophobicContact CG2-CG2 4.32Å; F337-V385 WeakPolarHBondContact CA-O 3.48Å; L338-V385 HydrophobicContact CB-CG1 3.89Å; L338-V385 PolarHBondContact N-O 3.03Å; L338-V385 PolarHBondContact O-N 2.8Å; V385-L387 HydrophobicContact CG1-CD2 3.94Å; V385-L387 HydrophobicContact CG2-CD2 4.48Å; V385-I393 HydrophobicContact CG2-CB 4.26Å; V385-I393 HydrophobicContact CG2-CG2 3.64Å
386	N	91.8	Very high	89.5	Confident	69 Å²	69	56.2 Å²	56.2	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.4	175	-173.8	-22.2	0	0	0	109.4	L336 F337 S388	L336-N386 PolarHBondContact O-OD1 3.21Å; F337-N386 HydrophobicContact CD1-CB 3.97Å; F337-N386 HydrophobicContact CE1-CB 3.8Å; N386-S388 WeakPolarHBondContact OD1-CB 3.24Å; N386-S388 PolarHBondContact OD1-N 2.94Å; N386-S388 PolarHBondContact OD1-OG 3.48Å
387	L	89.9	Confident	89.5	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.026	28%	0.279	C	S	.	.			trans	-94.3	-8.7	-175.7	-57.7	178.4	0	0	0	112.8	Y279 F331 L336 L338 V385 V389 I393	Y279-L387 HydrophobicContact CD1-CD2 3.93Å; Y279-L387 HydrophobicContact CD2-CD1 4.17Å; Y279-L387 HydrophobicContact CE1-CB 4.26Å; Y279-L387 HydrophobicContact CE1-CD1 4.25Å; Y279-L387 HydrophobicContact CE1-CD2 4.03Å; Y279-L387 HydrophobicContact CE1-CG 4.42Å; Y279-L387 HydrophobicContact CE2-CD1 3.76Å; Y279-L387 HydrophobicContact CG-CD2 4.22Å; F331-L387 HydrophobicContact CD1-CD1 4.04Å; F331-L387 HydrophobicContact CE1-CD1 3.58Å; L336-L387 PolarHBondContact O-N 3.25Å; L338-L387 HydrophobicContact CB-CD1 3.93Å; L338-L387 HydrophobicContact CB-CG 4.46Å; V385-L387 HydrophobicContact CG1-CD2 3.94Å; V385-L387 HydrophobicContact CG2-CD2 4.48Å; L387-V389 PolarHBondContact O-N 2.58Å; L387-V389 VanDerWaalsContact O-N 3.15Å; L387-I393 HydrophobicContact CD2-CD1 4.18Å; L387-I393 HydrophobicContact CD2-CG1 4.24Å; L387-I393 HydrophobicContact CD2-CG2 4.43Å
388	S	83.8	Confident	89.5	Confident	52 Å²	52	54 Å²	54	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	-57.9	-29.3	-178.9	-50.4	0	0	0	0	113.6	N386	N386-S388 WeakPolarHBondContact OD1-CB 3.24Å; N386-S388 PolarHBondContact OD1-N 2.94Å; N386-S388 PolarHBondContact OD1-OG 3.48Å
389	V	83	Confident	89.5	Confident	84 Å²	84	62 Å²	62	51%	0.509	31%	0.31	S	S	.	.	S	Bend	trans	-131.4	88.5	179	-166.8	0	0	0	0	110	L387 K391 Y392	L387-V389 PolarHBondContact O-N 2.58Å; L387-V389 VanDerWaalsContact O-N 3.15Å; V389-K391 PolarHBondContact O-N 3.21Å; V389-Y392 HydrophobicContact CB-CD2 4.41Å; V389-Y392 HydrophobicContact CG1-CD2 3.73Å; V389-Y392 HydrophobicContact CG1-CE2 4.29Å; V389-Y392 PolarHBondContact O-N 2.85Å
390	I	81.3	Confident	89.4	Confident	37 Å²	37	59.1 Å²	59.1	19%	0.19	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-40.3	-38.2	-179.3	-68.9	171.1	0	0	0	114.6	Y263 P281 L287 Y392 I393	Y263-I390 HydrophobicContact CE1-CD1 4.01Å; Y263-I390 HydrophobicContact CE2-CD1 4.31Å; P281-I390 HydrophobicContact CB-CD1 4.18Å; P281-I390 HydrophobicContact CG-CD1 3.89Å; P281-I390 HydrophobicContact CG-CG1 4.4Å; L287-I390 HydrophobicContact CD2-CD1 4.19Å; L287-I390 HydrophobicContact CD2-CG2 3.77Å; I390-Y392 PolarHBondContact O-N 3.07Å; I390-I393 HydrophobicContact CB-CD1 4.38Å; I390-I393 HydrophobicContact CG1-CD1 4.46Å; I390-I393 HydrophobicContact CG2-CD1 4.43Å; I390-I393 WeakPolarHBondContact O-CG1 3.4Å
391	K	78.5	Confident	89.1	Confident	160 Å²	160	60.2 Å²	60.2	70%	0.696	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64.8	-17.2	179.7	-171.9	175.7	178.3	-173.5	0	114.2	V389	V389-K391 PolarHBondContact O-N 3.21Å
392	Y	79.6	Confident	88.5	Confident	141 Å²	141	63.5 Å²	63.5	55%	0.553	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-128.2	33.4	-175.1	-56.5	-77.8	0	0	0	112.2	V389 I390 F394	V389-Y392 HydrophobicContact CB-CD2 4.41Å; V389-Y392 HydrophobicContact CG1-CD2 3.73Å; V389-Y392 HydrophobicContact CG1-CE2 4.29Å; V389-Y392 PolarHBondContact O-N 2.85Å; I390-Y392 PolarHBondContact O-N 3.07Å; Y392-F394 VanDerWaalsContact C-N 3.27Å; Y392-F394 HydrophobicContact CD1-CE2 4.27Å; Y392-F394 PolarHBondContact O-N 2.75Å
393	I	84.2	Confident	87.8	Confident	16 Å²	16	72.1 Å²	72.1	8%	0.082	37%	0.367	C	S	.	.			trans	-67.8	87.3	169.3	-66.8	173.3	0	0	0	108.3	Y279 C289 I291 V385 L387 I390	Y279-I393 HydrophobicContact CD1-CD1 3.97Å; Y279-I393 HydrophobicContact CE1-CD1 4.46Å; C289-I393 HydrophobicContact CB-CD1 3.93Å; I291-I393 HydrophobicContact CB-CG2 4.3Å; I291-I393 HydrophobicContact CG1-CG2 3.58Å; I291-I393 HydrophobicContact CG2-CG2 4.4Å; V385-I393 HydrophobicContact CG2-CB 4.26Å; V385-I393 HydrophobicContact CG2-CG2 3.64Å; L387-I393 HydrophobicContact CD2-CD1 4.18Å; L387-I393 HydrophobicContact CD2-CG1 4.24Å; L387-I393 HydrophobicContact CD2-CG2 4.43Å; I390-I393 HydrophobicContact CB-CD1 4.38Å; I390-I393 HydrophobicContact CG1-CD1 4.46Å; I390-I393 HydrophobicContact CG2-CD1 4.43Å; I390-I393 WeakPolarHBondContact O-CG1 3.4Å
394	F	87.2	Confident	87.1	Confident	141 Å²	141	72.5 Å²	72.5	62%	0.618	37%	0.369	S	S	*	.			trans	-126.1	124.6	173.1	-64.6	-73.1	0	0	0	109.1	Y392	Y392-F394 VanDerWaalsContact C-N 3.27Å; Y392-F394 HydrophobicContact CD1-CE2 4.27Å; Y392-F394 PolarHBondContact O-N 2.75Å
395	P	92.9	Very high	85.9	Confident	51 Å²	51	75.8 Å²	75.8	33%	0.331	39%	0.392	S	S	.	.			trans	-69.4	138.4	178.8	29	-34.2	0	0	0	111	I291 T292 F340	I291-P395 HydrophobicContact CG2-CB 4.29Å; I291-P395 HydrophobicContact CG2-CG 4.33Å; I291-P395 WeakPolarHBondContact O-CD 3.32Å; T292-P395 HydrophobicContact CG2-CG 4.43Å; F340-P395 HydrophobicContact CE1-CB 3.94Å; F340-P395 HydrophobicContact CZ-CB 3.62Å; F340-P395 HydrophobicContact CZ-CG 4.41Å
396	T	92.8	Very high	84.9	Confident	87 Å²	87	82.6 Å²	82.6	53%	0.534	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.4	176.8	-60.5	0	0	0	0	109.3	N383 V384 I398	N383-T396 WeakPolarHBondContact CA-O 3.33Å; V384-T396 PolarHBondContact N-O 2.82Å; V384-T396 PolarHBondContact O-N 2.95Å; T396-I398 PolarHBondContact O-N 2.69Å
397	Q	94	Very high	84	Confident	108 Å²	108	81.2 Å²	81.2	51%	0.505	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.6	175.2	-168.4	-170.8	33.6	0	0	110.6	T381 N383	T381-Q397 VanDerWaalsContact CG2-NE2 3.33Å; N383-Q397 VanDerWaalsContact OD1-CA 3.23Å; N383-Q397 WeakPolarHBondContact OD1-CA 3.32Å; N383-Q397 WeakPolarHBondContact OD1-CB 3.46Å
398	I	93.4	Very high	83.9	Confident	10 Å²	10	82 Å²	82	5%	0.051	44%	0.436	C	S	.	.			trans	-79.8	127.1	178.1	-59.5	-173.4	0	0	0	109.4	V382 V384 T396 L400 L421 C438 F443 C445	V382-I398 HydrophobicContact CB-CB 4.3Å; V382-I398 HydrophobicContact CG1-CB 4.42Å; V382-I398 HydrophobicContact CG1-CD1 3.86Å; V382-I398 HydrophobicContact CG1-CG1 4.38Å; V382-I398 PolarHBondContact O-N 3.24Å; V384-I398 HydrophobicContact CB-CD1 4.1Å; V384-I398 HydrophobicContact CB-CG1 4.43Å; V384-I398 HydrophobicContact CG1-CD1 3.81Å; V384-I398 HydrophobicContact CG1-CG1 3.79Å; T396-I398 PolarHBondContact O-N 2.69Å; I398-L400 PolarHBondContact O-N 3.08Å; I398-L421 HydrophobicContact CD1-CD2 3.67Å; I398-C438 HydrophobicContact CG2-CB 4.2Å; I398-F443 HydrophobicContact CD1-CB 4.08Å; I398-F443 HydrophobicContact CD1-CD1 4.05Å; I398-F443 HydrophobicContact CD1-CG 4.17Å; I398-F443 HydrophobicContact CG1-CB 4.04Å; I398-F443 HydrophobicContact CG1-CG 4.47Å; I398-F443 HydrophobicContact CG2-CB 4.32Å; I398-C445 WeakPolarHBondContact CG2-SG 3.41Å
399	K	91.5	Very high	84.3	Confident	174 Å²	174	79.7 Å²	79.7	76%	0.757	42%	0.419	S	S	*	.			trans	-88.1	93.6	-179.9	-66.4	-172.6	179.8	-176.9	0	110.9
400	L	89.9	Confident	84.6	Confident	32 Å²	32	75.9 Å²	75.9	17%	0.168	40%	0.396	C	S	.	.			trans	-62.7	153.8	169.2	-63.2	172.8	0	0	0	111.2	V382 I398 V423 V425 V436	V382-L400 HydrophobicContact CG2-CD1 4.34Å; I398-L400 PolarHBondContact O-N 3.08Å; L400-V423 HydrophobicContact CD2-CG1 4.46Å; L400-V425 HydrophobicContact CD1-CG2 4.05Å; L400-V425 HydrophobicContact CD2-CG2 4.49Å; L400-V436 HydrophobicContact CD2-CG1 4.45Å
401	P	86.4	Confident	84.6	Confident	42 Å²	42	74.1 Å²	74.1	27%	0.273	39%	0.387	S	S	.	.			trans	-54.3	138.5	171.8	-25.9	34.6	0	0	0	112.4	E403 L404 S405	P401-E403 PolarHBondContact O-N 3.26Å; P401-E403 VanDerWaalsContact O-N 3.14Å; P401-L404 HydrophobicContact CB-CD1 4.31Å; P401-L404 HydrophobicContact CB-CG 4.43Å; P401-L404 HydrophobicContact CG-CD1 4.19Å; P401-L404 WeakPolarHBondContact O-CB 3.38Å; P401-L404 PolarHBondContact O-N 2.93Å; P401-S405 PolarHBondContact O-N 3.39Å
402	S	80.4	Confident	84.6	Confident	100 Å²	100	66.7 Å²	66.7	70%	0.699	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.8	-173.9	50.7	0	0	0	0	114.7	L404 S405	S402-L404 PolarHBondContact O-N 2.87Å; S402-S405 PolarHBondContact O-OG 3.33Å
403	E	78.4	Confident	85	Confident	183 Å²	183	60 Å²	60	86%	0.855	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.7	172.4	-63.8	176.2	-169.4	0	0	112.8	P401	P401-E403 PolarHBondContact O-N 3.26Å; P401-E403 VanDerWaalsContact O-N 3.14Å
404	L	81.8	Confident	85.1	Confident	26 Å²	26	60.4 Å²	60.4	14%	0.136	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-11.7	-176.3	-57.2	177.8	0	0	0	113	P401 S402 S408 V425 T434 V436	P401-L404 HydrophobicContact CB-CD1 4.31Å; P401-L404 HydrophobicContact CB-CG 4.43Å; P401-L404 HydrophobicContact CG-CD1 4.19Å; P401-L404 WeakPolarHBondContact O-CB 3.38Å; P401-L404 PolarHBondContact O-N 2.93Å; S402-L404 PolarHBondContact O-N 2.87Å; L404-S408 WeakPolarHBondContact O-CB 3.24Å; L404-S408 PolarHBondContact O-OG 2.8Å; L404-V425 HydrophobicContact CB-CG1 4.19Å; L404-V425 WeakPolarHBondContact O-CG1 3.44Å; L404-T434 HydrophobicContact CD1-CG2 3.82Å; L404-T434 HydrophobicContact CD2-CG2 4.37Å; L404-V436 HydrophobicContact CD1-CG2 3.48Å; L404-V436 VanDerWaalsContact CD1-CG2 3.48Å
405	S	69.6	Low	85.1	Confident	72 Å²	72	54.7 Å²	54.7	50%	0.503	31%	0.308	S	S	.	.	S	Bend	trans	-89.9	-11.2	-172.2	64.6	0	0	0	0	115.4	P401 S402	P401-S405 PolarHBondContact O-N 3.39Å; S402-S405 PolarHBondContact O-OG 3.33Å
406	N	72.9	Confident	84.7	Confident	144 Å²	144	53.3 Å²	53.3	77%	0.77	30%	0.301	S	S	*	.	S	Bend	trans	-94.2	109.3	-173.6	-170.8	13.3	0	0	0	112.2	S408	N406-S408 PolarHBondContact O-N 3.12Å; N406-S408 VanDerWaalsContact O-N 3.17Å; N406-S408 PolarHBondContact O-OG 2.03Å
407	G	72.5	Confident	84.2	Confident	40 Å²	40	50.1 Å²	50.1	41%	0.412	28%	0.282	S	S	.	.	S	Bend	trans	64.8	15.2	175	0	0	0	0	0	115.4	R428	G407-R428 WeakPolarHBondContact O-CB 3.14Å
408	S	87.1	Confident	83.8	Confident	22 Å²	22	46.3 Å²	46.3	15%	0.154	27%	0.267	C	S	.	.			trans	-88.6	157.2	-173.2	-63.3	0	0	0	0	113.1	L404 N406 T426	L404-S408 WeakPolarHBondContact O-CB 3.24Å; L404-S408 PolarHBondContact O-OG 2.8Å; N406-S408 PolarHBondContact O-N 3.12Å; N406-S408 VanDerWaalsContact O-N 3.17Å; N406-S408 PolarHBondContact O-OG 2.03Å; S408-T426 CarbonylContact C-O 3.58Å; S408-T426 VanDerWaalsContact CA-O 3.24Å; S408-T426 WeakPolarHBondContact CA-O 3.4Å; S408-T426 WeakPolarHBondContact CB-O 3.34Å
409	Y	91.8	Very high	83.4	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.4	173.7	-47.3	-79	0	0	0	111.4	M315 Y316 N377 V425 T426 R428 Q430 F862	M315-Y409 HydrophobicContact CE-CD1 3.8Å; M315-Y409 HydrophobicContact CE-CE1 3.67Å; M315-Y409 HydrophobicContact SD-CE1 4.12Å; Y316-Y409 VanDerWaalsContact OH-CA 3.24Å; Y316-Y409 WeakPolarHBondContact OH-CA 3.49Å; N377-Y409 HydrophobicContact CB-CE1 4.45Å; N377-Y409 VanDerWaalsContact ND2-CE1 3.27Å; N377-Y409 WeakPolarHBondContact ND2-CE1 3.46Å; N377-Y409 VanDerWaalsContact ND2-CZ 3.28Å; N377-Y409 PolarHBondContact ND2-OH 3.09Å; Y409-V425 WeakPolarHBondContact O-CA 3.33Å; Y409-T426 HydrophobicContact CD2-CG2 4.04Å; Y409-T426 HydrophobicContact CG-CG2 4.5Å; Y409-T426 PolarHBondContact N-O 3.3Å; Y409-T426 PolarHBondContact O-N 3.03Å; Y409-R428 WeakPolarHBondContact CE2-O 3.46Å; Y409-Q430 HydrophobicContact CD2-CG 4.38Å; Y409-Q430 HydrophobicContact CE2-CG 4.27Å; Y409-F862 AromaticContact CD1-CD2 3.99Å; Y409-F862 HydrophobicContact CD1-CD2 3.99Å; Y409-F862 AromaticContact CD2-CD2 3.82Å; Y409-F862 HydrophobicContact CD2-CD2 3.82Å; Y409-F862 AromaticContact CD2-CE2 3.98Å; Y409-F862 HydrophobicContact CD2-CE2 3.98Å; Y409-F862 HydrophobicContact CE1-CB 4.42Å; Y409-F862 AromaticContact CE1-CD2 3.84Å; Y409-F862 HydrophobicContact CE1-CD2 3.84Å; Y409-F862 AromaticContact CE2-CD2 3.65Å; Y409-F862 HydrophobicContact CE2-CD2 3.65Å; Y409-F862 HydrophobicContact CE2-CE2 4.2Å; Y409-F862 AromaticContact CG-CD2 3.99Å; Y409-F862 HydrophobicContact CG-CD2 3.99Å; Y409-F862 HydrophobicContact CG-CE2 4.16Å; Y409-F862 AromaticContact CZ-CD2 3.66Å
410	V	90.9	Very high	83.2	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	99.1	178.8	-177.4	0	0	0	0	109.3	Y316 L341 V380 V382 G412 V423 T424	Y316-V410 WeakPolarHBondContact CE1-O 3.26Å; Y316-V410 PolarHBondContact OH-N 3.45Å; L341-V410 HydrophobicContact CD1-CG1 4.29Å; L341-V410 HydrophobicContact CD2-CG1 3.87Å; V380-V410 HydrophobicContact CB-CG2 4.42Å; V380-V410 HydrophobicContact CG1-CB 4.25Å; V380-V410 HydrophobicContact CG1-CG2 4.12Å; V382-V410 HydrophobicContact CG2-CG1 4.25Å; V410-G412 PolarHBondContact O-N 2.86Å; V410-V423 HydrophobicContact CG1-CG1 3.7Å; V410-T424 CarbonylContact C-O 3.53Å
411	G	81.1	Confident	83.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-16	-170.9	0	0	0	0	0	115.7	T424 P461 S462	G411-T424 PolarHBondContact N-O 3.16Å; G411-P461 WeakPolarHBondContact CA-O 3.47Å; G411-S462 WeakPolarHBondContact O-CA 3.29Å
412	G	78.4	Confident	83.4	Confident	4 Å²	4	38 Å²	38	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	155	176.2	0	0	0	0	0	115.1	V410 V423 T424	V410-G412 PolarHBondContact O-N 2.86Å; G412-V423 WeakPolarHBondContact O-CA 3.18Å; G412-T424 PolarHBondContact O-N 3.13Å
413	L	87.3	Confident	83.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.3	161.7	-59.7	-175.4	0	0	0	108.9	S327 E330 A339 L341 V382 L421 V423 R464	S327-L413 WeakPolarHBondContact O-CD1 3.36Å; S327-L413 WeakPolarHBondContact O-CG 3.26Å; E330-L413 VanDerWaalsContact OE2-C 3.25Å; A339-L413 HydrophobicContact CB-CD1 4.07Å; L341-L413 HydrophobicContact CD2-CD1 4.15Å; L341-L413 HydrophobicContact CD2-CD2 4.02Å; L341-L413 HydrophobicContact CD2-CG 4.14Å; L341-L413 HydrophobicContact CG-CD1 4.11Å; L341-L413 HydrophobicContact CG-CG 4.27Å; V382-L413 HydrophobicContact CG1-CD2 3.87Å; V382-L413 HydrophobicContact CG2-CD2 4.44Å; L413-L421 HydrophobicContact CB-CD1 4.43Å; L413-V423 HydrophobicContact CD2-CG1 4.33Å; L413-V423 HydrophobicContact CD2-CG2 3.93Å; L413-R464 PolarHBondContact O-NH1 3.43Å
414	T	87.3	Confident	84.4	Confident	26 Å²	26	24.7 Å²	24.7	16%	0.16	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	127.2	171.9	-55.1	0	0	0	0	108.7	E330 S422	E330-T414 WeakPolarHBondContact OE2-CA 3.34Å; E330-T414 PolarHBondContact OE2-N 2.8Å; T414-S422 PolarHBondContact N-O 3.38Å; T414-S422 VanDerWaalsContact N-O 3.11Å; T414-S422 WeakPolarHBondContact O-CA 3.32Å; T414-S422 WeakPolarHBondContact O-CB 3.44Å; T414-S422 PolarHBondContact O-N 3.45Å
415	W	86.9	Confident	84.9	Confident	20 Å²	20	23.5 Å²	23.5	8%	0.076	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.2	173.3	-69.5	93.7	0	0	0	112.1	E330 F331 P333 F337 A339 V384 L421 F443	E330-W415 PolarHBondContact O-NE1 2.69Å; E330-W415 VanDerWaalsContact O-NE1 3.14Å; E330-W415 PolarHBondContact OE1-N 2.96Å; F331-W415 VanDerWaalsContact C-NE1 3.31Å; F331-W415 PolarHBondContact O-NE1 3.29Å; P333-W415 HydrophobicContact CG-CB 4.1Å; F337-W415 HydrophobicContact CB-CH2 3.59Å; F337-W415 HydrophobicContact CB-CZ2 3.88Å; F337-W415 HydrophobicContact CD2-CH2 4.48Å; F337-W415 HydrophobicContact CG-CH2 4.17Å; A339-W415 HydrophobicContact CB-CZ2 3.73Å; V384-W415 HydrophobicContact CG2-CH2 4.28Å; W415-L421 HydrophobicContact CD2-CB 4.38Å; W415-L421 HydrophobicContact CD2-CD1 3.89Å; W415-L421 HydrophobicContact CE3-CB 3.96Å; W415-L421 HydrophobicContact CE3-CD1 4.34Å; W415-L421 HydrophobicContact CG-CD1 4.19Å; W415-L421 HydrophobicContact CH2-CB 4.31Å; W415-L421 HydrophobicContact CZ2-CD1 4.33Å; W415-L421 HydrophobicContact CZ3-CB 3.93Å; W415-F443 AromaticContact CH2-CE1 3.98Å; W415-F443 HydrophobicContact CH2-CE1 3.98Å; W415-F443 HydrophobicContact CH2-CZ 4.22Å; W415-F443 HydrophobicContact CZ3-CE1 4.08Å
416	A	84.2	Confident	86	Confident	23 Å²	23	20.1 Å²	20.1	19%	0.19	13%	0.129	C	C	.	.	S	Bend	trans	-83.3	-26	173.4	0	0	0	0	0	112.3	D420 L437 F467	A416-D420 HydrophobicContact CB-CB 4.14Å; A416-D420 PolarHBondContact N-O 2.7Å; A416-L437 HydrophobicContact CB-CD1 3.77Å; A416-F467 HydrophobicContact CB-CB 3.93Å; A416-F467 HydrophobicContact CB-CD1 3.74Å; A416-F467 HydrophobicContact CB-CD2 3.43Å; A416-F467 VanDerWaalsContact CB-CD2 3.43Å; A416-F467 HydrophobicContact CB-CE1 4.06Å; A416-F467 HydrophobicContact CB-CE2 3.76Å; A416-F467 HydrophobicContact CB-CG 3.41Å; A416-F467 VanDerWaalsContact CB-CG 3.41Å; A416-F467 HydrophobicContact CB-CZ 4.07Å
417	S	82.9	Confident	86.9	Confident	19 Å²	19	15.2 Å²	15.2	13%	0.133	10%	0.102	C	C	.	.	S	Bend	trans	-160.1	178.6	171.4	71.6	0	0	0	0	109	T419 D420	S417-T419 PolarHBondContact O-N 3.26Å; S417-T419 PolarHBondContact OG-N 3.04Å; S417-T419 PolarHBondContact OG-OG1 3.1Å; S417-D420 PolarHBondContact N-O 2.82Å; S417-D420 PolarHBondContact O-N 2.92Å; S417-D420 WeakPolarHBondContact OG-CB 3.41Å; S417-D420 PolarHBondContact OG-N 2.92Å; S417-D420 VanDerWaalsContact OG-N 3.14Å
418	S	85	Confident	87.8	Confident	28 Å²	28	16 Å²	16	20%	0.196	9%	0.093	C	C	.	.	S	Bend	trans	-57.4	-17.5	172.2	-56	0	0	0	0	115.1	D334	D334-S418 VanDerWaalsContact OD2-CB 3.28Å; D334-S418 WeakPolarHBondContact OD2-CB 3.3Å
419	T	84.9	Confident	87.9	Confident	65 Å²	65	18.6 Å²	18.6	40%	0.399	10%	0.103	S	C	.	.	S	Bend	trans	-118.6	-12.5	-177.5	59.2	0	0	0	0	114.4	S417 A440	S417-T419 PolarHBondContact O-N 3.26Å; S417-T419 PolarHBondContact OG-N 3.04Å; S417-T419 PolarHBondContact OG-OG1 3.1Å; T419-A440 HydrophobicContact CG2-CB 4.45Å; T419-A440 VanDerWaalsContact O-CB 3.31Å; T419-A440 WeakPolarHBondContact O-CB 3.28Å; T419-A440 PolarHBondContact O-N 3.26Å
420	D	87.1	Confident	87.9	Confident	17 Å²	17	18.4 Å²	18.4	9%	0.091	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	108.3	-172.7	-62.4	-17.4	0	0	0	110.1	A416 S417 L437 R439	A416-D420 HydrophobicContact CB-CB 4.14Å; A416-D420 PolarHBondContact N-O 2.7Å; S417-D420 PolarHBondContact N-O 2.82Å; S417-D420 PolarHBondContact O-N 2.92Å; S417-D420 WeakPolarHBondContact OG-CB 3.41Å; S417-D420 PolarHBondContact OG-N 2.92Å; S417-D420 VanDerWaalsContact OG-N 3.14Å; D420-L437 HydrophobicContact CB-CD1 4.02Å; D420-L437 HydrophobicContact CB-CD2 4.3Å; D420-L437 HydrophobicContact CB-CG 4.19Å; D420-R439 VanDerWaalsContact OD1-CG 3.27Å; D420-R439 WeakPolarHBondContact OD1-CG 3.22Å; D420-R439 IonicContact OD1-CZ 3.13Å; D420-R439 IonicContact OD1-NE 3.64Å; D420-R439 PolarHBondContact OD1-NE 3.24Å; D420-R439 IonicContact OD1-NH2 2.97Å; D420-R439 IonicContact OD2-CZ 2.68Å; D420-R439 IonicContact OD2-NE 2.75Å; D420-R439 PolarHBondContact OD2-NE 2.99Å; D420-R439 IonicContact OD2-NH2 3.28Å; D420-R439 PolarHBondContact OD2-NH2 2.85Å
421	L	90.1	Very high	88	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.4	175.6	177.7	65.7	0	0	0	109.8	A339 V382 I398 L413 W415 V423 C438 F443	A339-L421 HydrophobicContact CB-CD1 4.07Å; A339-L421 HydrophobicContact CB-CD2 3.73Å; V382-L421 HydrophobicContact CG1-CD2 4.23Å; I398-L421 HydrophobicContact CD1-CD2 3.67Å; L413-L421 HydrophobicContact CB-CD1 4.43Å; W415-L421 HydrophobicContact CD2-CB 4.38Å; W415-L421 HydrophobicContact CD2-CD1 3.89Å; W415-L421 HydrophobicContact CE3-CB 3.96Å; W415-L421 HydrophobicContact CE3-CD1 4.34Å; W415-L421 HydrophobicContact CG-CD1 4.19Å; W415-L421 HydrophobicContact CH2-CB 4.31Å; W415-L421 HydrophobicContact CZ2-CD1 4.33Å; W415-L421 HydrophobicContact CZ3-CB 3.93Å; L421-V423 HydrophobicContact CD2-CG2 4.36Å; L421-V423 HydrophobicContact CG-CG2 4.29Å; L421-C438 PolarHBondContact N-O 2.81Å; L421-C438 PolarHBondContact O-N 2.95Å; L421-F443 HydrophobicContact CB-CE1 4.48Å
422	S	90.1	Very high	88.5	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.3	169.1	-176.6	0	0	0	0	110.9	T414 T435 V436 F467	T414-S422 PolarHBondContact N-O 3.38Å; T414-S422 VanDerWaalsContact N-O 3.11Å; T414-S422 WeakPolarHBondContact O-CA 3.32Å; T414-S422 WeakPolarHBondContact O-CB 3.44Å; T414-S422 PolarHBondContact O-N 3.45Å; S422-T435 WeakPolarHBondContact OG-CG2 3.1Å; S422-V436 CarbonylContact C-O 3.45Å; S422-V436 WeakPolarHBondContact CA-O 3.48Å; S422-F467 VanDerWaalsContact CB-CE2 3.43Å; S422-F467 WeakPolarHBondContact OG-CZ 3.46Å
423	V	90.6	Very high	89.1	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.8	175	-172.4	0	0	0	0	108.5	V382 L400 V410 G412 L413 L421 V425 V436	V382-V423 HydrophobicContact CG1-CG2 4.31Å; V382-V423 HydrophobicContact CG2-CG1 3.94Å; V382-V423 HydrophobicContact CG2-CG2 4.37Å; L400-V423 HydrophobicContact CD2-CG1 4.46Å; V410-V423 HydrophobicContact CG1-CG1 3.7Å; G412-V423 WeakPolarHBondContact O-CA 3.18Å; L413-V423 HydrophobicContact CD2-CG1 4.33Å; L413-V423 HydrophobicContact CD2-CG2 3.93Å; L421-V423 HydrophobicContact CD2-CG2 4.36Å; L421-V423 HydrophobicContact CG-CG2 4.29Å; V423-V425 HydrophobicContact CG1-CG2 3.75Å; V423-V436 PolarHBondContact N-O 3.43Å; V423-V436 PolarHBondContact O-N 2.84Å
424	T	90.4	Very high	89.3	Confident	4 Å²	4	26 Å²	26	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.9	170.3	-64.5	0	0	0	0	109.6	V410 G411 G412 A433 T435 P461	V410-T424 CarbonylContact C-O 3.53Å; G411-T424 PolarHBondContact N-O 3.16Å; G412-T424 PolarHBondContact O-N 3.13Å; T424-A433 HydrophobicContact CG2-CB 4.4Å; T424-T435 PolarHBondContact OG1-OG1 3.24Å; T424-P461 VanDerWaalsContact CG2-O 3.26Å; T424-P461 WeakPolarHBondContact CG2-O 3.35Å
425	V	92.3	Very high	89.5	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.4	-176.7	-172.1	0	0	0	0	109.8	L400 L404 Y409 V423 A433 T434	L400-V425 HydrophobicContact CD1-CG2 4.05Å; L400-V425 HydrophobicContact CD2-CG2 4.49Å; L404-V425 HydrophobicContact CB-CG1 4.19Å; L404-V425 WeakPolarHBondContact O-CG1 3.44Å; Y409-V425 WeakPolarHBondContact O-CA 3.33Å; V423-V425 HydrophobicContact CG1-CG2 3.75Å; V425-A433 CarbonylContact O-C 3.59Å; V425-A433 WeakPolarHBondContact O-CA 3.24Å; V425-T434 PolarHBondContact N-O 2.66Å; V425-T434 PolarHBondContact O-N 2.7Å
426	T	92.3	Very high	89.6	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.4	176.9	-171.6	0	0	0	0	111.8	S408 Y409 Q430 K432 P461	S408-T426 CarbonylContact C-O 3.58Å; S408-T426 VanDerWaalsContact CA-O 3.24Å; S408-T426 WeakPolarHBondContact CA-O 3.4Å; S408-T426 WeakPolarHBondContact CB-O 3.34Å; Y409-T426 HydrophobicContact CD2-CG2 4.04Å; Y409-T426 HydrophobicContact CG-CG2 4.5Å; Y409-T426 PolarHBondContact N-O 3.3Å; Y409-T426 PolarHBondContact O-N 3.03Å; T426-Q430 HydrophobicContact CG2-CG 4.41Å; T426-K432 VanDerWaalsContact CA-O 3.24Å; T426-K432 WeakPolarHBondContact CA-O 3.3Å; T426-K432 WeakPolarHBondContact CB-O 3.3Å; T426-K432 PolarHBondContact OG1-O 3.4Å; T426-P461 HydrophobicContact CG2-CB 3.55Å; T426-P461 HydrophobicContact CG2-CG 4.03Å
427	N	91.9	Very high	89.8	Confident	40 Å²	40	24.1 Å²	24.1	21%	0.214	13%	0.126	C	C	.	.			trans	-68.4	160.2	174.9	64.3	-32.9	0	0	0	111.5	E429 Q430 T431 K432	N427-E429 PolarHBondContact O-N 2.95Å; N427-E429 VanDerWaalsContact O-N 3.11Å; N427-Q430 PolarHBondContact O-N 2.82Å; N427-Q430 PolarHBondContact OD1-N 2.83Å; N427-T431 PolarHBondContact ND2-OG1 2.89Å; N427-T431 PolarHBondContact OD1-N 3.28Å; N427-T431 VanDerWaalsContact OD1-N 3.09Å; N427-K432 PolarHBondContact N-O 3.08Å; N427-K432 PolarHBondContact OD1-N 3.18Å; N427-K432 PolarHBondContact OD1-O 3.13Å; N427-K432 VanDerWaalsContact OD1-O 3.13Å
428	R	91.1	Very high	90.1	Very high	58 Å²	58	23.2 Å²	23.2	22%	0.219	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-40.2	178.5	-168.9	170.4	170.4	142.6	5.7	113.9	S375 G407 Y409 Q430 E865	S375-R428 VanDerWaalsContact O-CZ 3.28Å; S375-R428 PolarHBondContact O-NH1 2.82Å; S375-R428 PolarHBondContact O-NH2 2.92Å; G407-R428 WeakPolarHBondContact O-CB 3.14Å; Y409-R428 WeakPolarHBondContact CE2-O 3.46Å; R428-Q430 PolarHBondContact O-N 2.98Å; R428-E865 WeakPolarHBondContact CG-OE2 3.29Å; R428-E865 IonicContact CZ-OE1 3.6Å; R428-E865 IonicContact CZ-OE2 3.6Å; R428-E865 IonicContact NE-OE1 2.68Å; R428-E865 IonicContact NE-OE2 3.6Å; R428-E865 PolarHBondContact NE-OE2 2.89Å; R428-E865 IonicContact NH2-OE1 3.68Å; R428-E865 PolarHBondContact NH2-OE1 3.27Å; R428-E865 IonicContact NH2-OE2 2.76Å; R428-E865 PolarHBondContact NH2-OE2 3.49Å
429	E	89.4	Confident	90.2	Very high	75 Å²	75	28.6 Å²	28.6	35%	0.35	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.2	-178.8	-51.5	-178.4	152.6	0	0	113.3	N427 T431 K871	N427-E429 PolarHBondContact O-N 2.95Å; N427-E429 VanDerWaalsContact O-N 3.11Å; E429-T431 HydrophobicContact CB-CG2 4.2Å; E429-T431 PolarHBondContact O-N 3.23Å; E429-K871 VanDerWaalsContact CD-NZ 3.28Å; E429-K871 WeakPolarHBondContact OE1-CE 3.49Å; E429-K871 IonicContact OE1-NZ 3.53Å; E429-K871 PolarHBondContact OE1-NZ 3.06Å; E429-K871 IonicContact OE2-NZ 2.76Å; E429-K871 PolarHBondContact OE2-NZ 3.02Å; E429-K871 VanDerWaalsContact OE2-NZ 3.13Å
430	Q	92.7	Very high	90.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	53.6	28.6	-179.8	-65.1	165.7	73.2	0	0	113.8	Y409 T426 N427 R428 W458 V459 F862	Y409-Q430 HydrophobicContact CD2-CG 4.38Å; Y409-Q430 HydrophobicContact CE2-CG 4.27Å; T426-Q430 HydrophobicContact CG2-CG 4.41Å; N427-Q430 PolarHBondContact O-N 2.82Å; N427-Q430 PolarHBondContact OD1-N 2.83Å; R428-Q430 PolarHBondContact O-N 2.98Å; Q430-W458 HydrophobicContact CB-CB 4.29Å; Q430-W458 WeakPolarHBondContact O-CA 3.31Å; Q430-V459 WeakPolarHBondContact O-CG2 3.13Å; Q430-V459 PolarHBondContact O-N 2.84Å; Q430-F862 PolarHBondContact NE2-O 2.78Å; Q430-F862 VanDerWaalsContact OE1-CZ 3.29Å
431	T	91.6	Very high	89.9	Confident	43 Å²	43	30.4 Å²	30.4	26%	0.264	15%	0.15	S	C	.	.	S	Bend	trans	-93.5	-13.4	177.8	51.6	0	0	0	0	113.1	N427 E429 T453	N427-T431 PolarHBondContact ND2-OG1 2.89Å; N427-T431 PolarHBondContact OD1-N 3.28Å; N427-T431 VanDerWaalsContact OD1-N 3.09Å; E429-T431 HydrophobicContact CB-CG2 4.2Å; E429-T431 PolarHBondContact O-N 3.23Å; T431-T453 HydrophobicContact CG2-CG2 4.04Å; T431-T453 PolarHBondContact O-N 3.06Å
432	K	91.9	Very high	89.7	Confident	111 Å²	111	38.7 Å²	38.7	48%	0.483	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	136.3	176.6	-58.5	-174.6	-177.8	178.9	0	111.5	T426 N427 T450 E451 V452	T426-K432 VanDerWaalsContact CA-O 3.24Å; T426-K432 WeakPolarHBondContact CA-O 3.3Å; T426-K432 WeakPolarHBondContact CB-O 3.3Å; T426-K432 PolarHBondContact OG1-O 3.4Å; N427-K432 PolarHBondContact N-O 3.08Å; N427-K432 PolarHBondContact OD1-N 3.18Å; N427-K432 PolarHBondContact OD1-O 3.13Å; N427-K432 VanDerWaalsContact OD1-O 3.13Å; K432-T450 HydrophobicContact CB-CG2 4.3Å; K432-E451 CarbonylContact C-O 3.57Å; K432-E451 VanDerWaalsContact CA-O 3.28Å; K432-E451 WeakPolarHBondContact CA-O 3.31Å; K432-V452 HydrophobicContact CG-CG1 4.41Å; K432-V452 HydrophobicContact CG-CG2 4.29Å
433	A	92.1	Very high	89.6	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.8	170	0	0	0	0	0	109.8	T424 V425 T450 E451 V459	T424-A433 HydrophobicContact CG2-CB 4.4Å; V425-A433 CarbonylContact O-C 3.59Å; V425-A433 WeakPolarHBondContact O-CA 3.24Å; A433-T450 CarbonylContact O-C 3.47Å; A433-T450 WeakPolarHBondContact O-CA 3.36Å; A433-E451 HydrophobicContact CB-CB 4.45Å; A433-E451 PolarHBondContact N-O 3.07Å; A433-E451 PolarHBondContact O-N 2.91Å; A433-V459 HydrophobicContact CB-CB 4.13Å; A433-V459 HydrophobicContact CB-CG2 3.61Å
434	T	91.6	Very high	89.5	Confident	10 Å²	10	46.4 Å²	46.4	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.1	179.8	-58.2	0	0	0	0	110.6	L404 V425 V436 A447 H449 T450	L404-T434 HydrophobicContact CD1-CG2 3.82Å; L404-T434 HydrophobicContact CD2-CG2 4.37Å; V425-T434 PolarHBondContact N-O 2.66Å; V425-T434 PolarHBondContact O-N 2.7Å; T434-V436 HydrophobicContact CG2-CG2 3.94Å; T434-A447 HydrophobicContact CG2-CB 3.78Å; T434-H449 CarbonylContact C-O 3.16Å; T434-H449 WeakPolarHBondContact CA-O 3.49Å; T434-T450 WeakPolarHBondContact CG2-OG1 3.47Å; T434-T450 WeakPolarHBondContact OG1-CG2 3.45Å; T434-T450 PolarHBondContact OG1-OG1 3.35Å
435	T	89.9	Confident	89.4	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.9	168.6	-59.4	0	0	0	0	108.9	S422 T424 V448 H449 P465	S422-T435 WeakPolarHBondContact OG-CG2 3.1Å; T424-T435 PolarHBondContact OG1-OG1 3.24Å; T435-V448 PolarHBondContact O-N 3.32Å; T435-H449 PolarHBondContact N-O 3.39Å; T435-H449 PolarHBondContact O-N 3.16Å; T435-P465 HydrophobicContact CG2-CG 3.93Å
436	V	89.1	Confident	89.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	-176	-176.2	0	0	0	0	108.9	L400 L404 S422 V423 T434 C445	L400-V436 HydrophobicContact CD2-CG1 4.45Å; L404-V436 HydrophobicContact CD1-CG2 3.48Å; L404-V436 VanDerWaalsContact CD1-CG2 3.48Å; S422-V436 CarbonylContact C-O 3.45Å; S422-V436 WeakPolarHBondContact CA-O 3.48Å; V423-V436 PolarHBondContact N-O 3.43Å; V423-V436 PolarHBondContact O-N 2.84Å; T434-V436 HydrophobicContact CG2-CG2 3.94Å; V436-C445 HydrophobicContact CG1-CB 3.64Å
437	L	88.6	Confident	88.9	Confident	28 Å²	28	53.9 Å²	53.9	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125	175.5	-164.2	72.9	0	0	0	109.9	A416 D420 C445 Q446 V448 F467	A416-L437 HydrophobicContact CB-CD1 3.77Å; D420-L437 HydrophobicContact CB-CD1 4.02Å; D420-L437 HydrophobicContact CB-CD2 4.3Å; D420-L437 HydrophobicContact CB-CG 4.19Å; L437-C445 WeakPolarHBondContact O-CA 3.23Å; L437-Q446 PolarHBondContact N-O 3.26Å; L437-Q446 PolarHBondContact O-N 2.89Å; L437-V448 HydrophobicContact CB-CG2 3.61Å; L437-F467 HydrophobicContact CD1-CE1 4.24Å; L437-F467 HydrophobicContact CD1-CZ 4.16Å
438	C	89.6	Confident	88.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.6	-174.9	-58.8	0	0	0	0	110.3	I398 L421 F443 H444 C445	I398-C438 HydrophobicContact CG2-CB 4.2Å; L421-C438 PolarHBondContact N-O 2.81Å; L421-C438 PolarHBondContact O-N 2.95Å; C438-F443 HydrophobicContact CB-CB 4.49Å; C438-H444 WeakPolarHBondContact CA-O 3.27Å; C438-C445 HydrophobicContact CB-CB 4.17Å; C438-C445 WeakPolarHBondContact CB-SG 3.21Å; C438-C445 WeakPolarHBondContact SG-CB 3.29Å; C438-C445 CovalentContact SG-SG 2.04Å; C438-C445 PolarHBondContact SG-SG 3.44Å
439	R	87.8	Confident	88.4	Confident	140 Å²	140	50.4 Å²	50.4	53%	0.528	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.1	-167.6	175.2	164.8	-70	149.4	-0	113.8	D420 F443 H444	D420-R439 VanDerWaalsContact OD1-CG 3.27Å; D420-R439 WeakPolarHBondContact OD1-CG 3.22Å; D420-R439 IonicContact OD1-CZ 3.13Å; D420-R439 IonicContact OD1-NE 3.64Å; D420-R439 PolarHBondContact OD1-NE 3.24Å; D420-R439 IonicContact OD1-NH2 2.97Å; D420-R439 IonicContact OD2-CZ 2.68Å; D420-R439 IonicContact OD2-NE 2.75Å; D420-R439 PolarHBondContact OD2-NE 2.99Å; D420-R439 IonicContact OD2-NH2 3.28Å; D420-R439 PolarHBondContact OD2-NH2 2.85Å; R439-F443 WeakPolarHBondContact O-CA 3.23Å; R439-F443 PolarHBondContact O-N 3.5Å; R439-H444 PolarHBondContact N-O 2.83Å; R439-H444 PolarHBondContact O-N 2.78Å
440	A	83.2	Confident	88.5	Confident	17 Å²	17	49.7 Å²	49.7	14%	0.14	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	156.4	173	0	0	0	0	0	112.2	F337 T419 F443	F337-A440 HydrophobicContact CE2-CB 4.49Å; F337-A440 HydrophobicContact CZ-CB 4.22Å; T419-A440 HydrophobicContact CG2-CB 4.45Å; T419-A440 VanDerWaalsContact O-CB 3.31Å; T419-A440 WeakPolarHBondContact O-CB 3.28Å; T419-A440 PolarHBondContact O-N 3.26Å; A440-F443 HydrophobicContact CB-CE1 4.1Å; A440-F443 HydrophobicContact CB-CE2 3.95Å; A440-F443 HydrophobicContact CB-CZ 3.68Å
441	P	82.3	Confident	88.4	Confident	103 Å²	103	50 Å²	50	67%	0.669	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.9	-14	5.4	33.6	-36.8	0	0	0	114.6
442	H	84.7	Confident	88.4	Confident	174 Å²	174	51.9 Å²	51.9	81%	0.806	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-1.4	-175.2	-59.9	-51.8	0	0	0	114.2	H444	H442-H444 VanDerWaalsContact C-N 3.27Å; H442-H444 PolarHBondContact O-N 2.56Å
443	F	88.9	Confident	88.3	Confident	14 Å²	14	48.2 Å²	48.2	6%	0.061	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	46.6	-176.8	-66.4	-87.1	0	0	0	112.7	F337 V384 I398 W415 L421 C438 R439 A440 C445	F337-F443 HydrophobicContact CD1-CE2 4.13Å; F337-F443 AromaticContact CD1-CZ 3.87Å; F337-F443 HydrophobicContact CD1-CZ 3.87Å; F337-F443 AromaticContact CE1-CE2 3.9Å; F337-F443 HydrophobicContact CE1-CE2 3.9Å; F337-F443 AromaticContact CE1-CZ 3.92Å; F337-F443 HydrophobicContact CE1-CZ 3.92Å; F337-F443 HydrophobicContact CG-CZ 4.26Å; F337-F443 HydrophobicContact CZ-CZ 4.38Å; V384-F443 HydrophobicContact CG1-CD1 4.27Å; V384-F443 HydrophobicContact CG1-CD2 3.59Å; V384-F443 HydrophobicContact CG1-CE1 4.35Å; V384-F443 HydrophobicContact CG1-CE2 3.69Å; V384-F443 HydrophobicContact CG1-CG 3.89Å; V384-F443 HydrophobicContact CG1-CZ 4.08Å; V384-F443 HydrophobicContact CG2-CE1 4.22Å; V384-F443 HydrophobicContact CG2-CE2 4.12Å; V384-F443 HydrophobicContact CG2-CZ 3.81Å; I398-F443 HydrophobicContact CD1-CB 4.08Å; I398-F443 HydrophobicContact CD1-CD1 4.05Å; I398-F443 HydrophobicContact CD1-CG 4.17Å; I398-F443 HydrophobicContact CG1-CB 4.04Å; I398-F443 HydrophobicContact CG1-CG 4.47Å; I398-F443 HydrophobicContact CG2-CB 4.32Å; W415-F443 AromaticContact CH2-CE1 3.98Å; W415-F443 HydrophobicContact CH2-CE1 3.98Å; W415-F443 HydrophobicContact CH2-CZ 4.22Å; W415-F443 HydrophobicContact CZ3-CE1 4.08Å; L421-F443 HydrophobicContact CB-CE1 4.48Å; C438-F443 HydrophobicContact CB-CB 4.49Å; R439-F443 WeakPolarHBondContact O-CA 3.23Å; R439-F443 PolarHBondContact O-N 3.5Å; A440-F443 HydrophobicContact CB-CE1 4.1Å; A440-F443 HydrophobicContact CB-CE2 3.95Å; A440-F443 HydrophobicContact CB-CZ 3.68Å; F443-C445 PolarHBondContact O-N 2.81Å; F443-C445 PolarHBondContact O-SG 3.14Å; F443-C445 VanDerWaalsContact O-SG 3.41Å
444	H	88.1	Confident	88	Confident	149 Å²	149	50.4 Å²	50.4	69%	0.69	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.7	173.2	-178	64.9	0	0	0	109.6	C438 R439 H442	C438-H444 WeakPolarHBondContact CA-O 3.27Å; R439-H444 PolarHBondContact N-O 2.83Å; R439-H444 PolarHBondContact O-N 2.78Å; H442-H444 VanDerWaalsContact C-N 3.27Å; H442-H444 PolarHBondContact O-N 2.56Å
445	C	89.3	Confident	87.2	Confident	11 Å²	11	54 Å²	54	7%	0.074	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.2	-168.4	-65.9	0	0	0	0	112.9	I398 V436 L437 C438 F443	I398-C445 WeakPolarHBondContact CG2-SG 3.41Å; V436-C445 HydrophobicContact CG1-CB 3.64Å; L437-C445 WeakPolarHBondContact O-CA 3.23Å; C438-C445 HydrophobicContact CB-CB 4.17Å; C438-C445 WeakPolarHBondContact CB-SG 3.21Å; C438-C445 WeakPolarHBondContact SG-CB 3.29Å; C438-C445 CovalentContact SG-SG 2.04Å; C438-C445 PolarHBondContact SG-SG 3.44Å; F443-C445 PolarHBondContact O-N 2.81Å; F443-C445 PolarHBondContact O-SG 3.14Å; F443-C445 VanDerWaalsContact O-SG 3.41Å
446	Q	85.8	Confident	86.5	Confident	119 Å²	119	59.8 Å²	59.8	56%	0.556	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	132	175.2	-176	178	-5.2	0	0	110.3	L437 V448	L437-Q446 PolarHBondContact N-O 3.26Å; L437-Q446 PolarHBondContact O-N 2.89Å; Q446-V448 PolarHBondContact O-N 2.9Å
447	A	86.8	Confident	86.3	Confident	34 Å²	34	60 Å²	60	28%	0.281	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.3	171.9	0	0	0	0	0	110.6	T434 R538	T434-A447 HydrophobicContact CG2-CB 3.78Å; A447-R538 VanDerWaalsContact O-CZ 3.28Å; A447-R538 PolarHBondContact O-NE 3.19Å; A447-R538 PolarHBondContact O-NH2 3.23Å
448	V	85	Confident	86.5	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-46.7	179.7	-179.1	0	0	0	0	110.6	T435 L437 Q446 L513 R538	T435-V448 PolarHBondContact O-N 3.32Å; L437-V448 HydrophobicContact CB-CG2 3.61Å; Q446-V448 PolarHBondContact O-N 2.9Å; V448-L513 HydrophobicContact CG1-CD2 3.85Å; V448-R538 WeakPolarHBondContact O-CB 3.38Å; V448-R538 WeakPolarHBondContact O-CD 3.44Å; V448-R538 WeakPolarHBondContact O-CG 3.49Å
449	H	88.1	Confident	86.6	Confident	18 Å²	18	58.8 Å²	58.8	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.3	180	179.1	74	0	0	0	110.3	T434 T435 E451 I533	T434-H449 CarbonylContact C-O 3.16Å; T434-H449 WeakPolarHBondContact CA-O 3.49Å; T435-H449 PolarHBondContact N-O 3.39Å; T435-H449 PolarHBondContact O-N 3.16Å; H449-E451 PolarHBondContact NE2-N 2.81Å; H449-I533 HydrophobicContact CB-CD1 4.12Å; H449-I533 HydrophobicContact CB-CG2 4.35Å
450	T	90.8	Very high	86.5	Confident	59 Å²	59	53.4 Å²	53.4	36%	0.362	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.2	171.3	-60	0	0	0	0	108.9	K432 A433 T434 V452	K432-T450 HydrophobicContact CB-CG2 4.3Å; A433-T450 CarbonylContact O-C 3.47Å; A433-T450 WeakPolarHBondContact O-CA 3.36Å; T434-T450 WeakPolarHBondContact CG2-OG1 3.47Å; T434-T450 WeakPolarHBondContact OG1-CG2 3.45Å; T434-T450 PolarHBondContact OG1-OG1 3.35Å; T450-V452 HydrophobicContact CG2-CG2 4.19Å
451	E	91.4	Very high	86.4	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.3	163.5	-178.1	178.2	169	0	0	108.3	K432 A433 H449 V459 K515 L517 R528	K432-E451 CarbonylContact C-O 3.57Å; K432-E451 VanDerWaalsContact CA-O 3.28Å; K432-E451 WeakPolarHBondContact CA-O 3.31Å; A433-E451 HydrophobicContact CB-CB 4.45Å; A433-E451 PolarHBondContact N-O 3.07Å; A433-E451 PolarHBondContact O-N 2.91Å; H449-E451 PolarHBondContact NE2-N 2.81Å; E451-V459 HydrophobicContact CG-CB 4.41Å; E451-V459 HydrophobicContact CG-CG1 3.98Å; E451-K515 IonicContact OE2-NZ 3.41Å; E451-K515 PolarHBondContact OE2-NZ 2.75Å; E451-L517 HydrophobicContact CB-CD2 3.93Å; E451-L517 HydrophobicContact CG-CD2 3.71Å; E451-L517 WeakPolarHBondContact OE2-CD2 3.38Å; E451-R528 IonicContact OE1-CZ 3.64Å; E451-R528 IonicContact OE1-NH1 2.69Å; E451-R528 PolarHBondContact OE1-NH1 3.39Å; E451-R528 VanDerWaalsContact OE1-NH1 3.09Å; E451-R528 IonicContact OE1-NH2 3.28Å; E451-R528 PolarHBondContact OE1-NH2 3.21Å; E451-R528 IonicContact OE2-NH1 3.99Å
452	V	91.8	Very high	86.1	Confident	81 Å²	81	48.7 Å²	48.7	49%	0.491	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.6	171.4	-176.7	0	0	0	0	107.2	K432 T450	K432-V452 HydrophobicContact CG-CG1 4.41Å; K432-V452 HydrophobicContact CG-CG2 4.29Å; T450-V452 HydrophobicContact CG2-CG2 4.19Å
453	T	90.2	Very high	86	Confident	34 Å²	34	41.4 Å²	41.4	21%	0.209	22%	0.224	C	C	.	.			trans	-60.3	159.4	179.5	-169.2	0	0	0	0	113.8	T431 G457 W458	T431-T453 HydrophobicContact CG2-CG2 4.04Å; T431-T453 PolarHBondContact O-N 3.06Å; T453-G457 WeakPolarHBondContact CB-O 3.43Å; T453-G457 WeakPolarHBondContact OG1-CA 3.45Å; T453-G457 PolarHBondContact OG1-N 3Å; T453-G457 PolarHBondContact OG1-O 2.89Å; T453-W458 PolarHBondContact OG1-N 3.46Å
454	I	86.1	Confident	85.5	Confident	48 Å²	48	44.2 Å²	44.2	25%	0.246	23%	0.234	C	C	.	.	S	Bend	trans	-125.3	143.3	-179.6	-58.1	-173.7	0	0	0	108.5	D456 G457 P518	I454-D456 VanDerWaalsContact C-N 3.32Å; I454-D456 PolarHBondContact O-N 2.9Å; I454-G457 PolarHBondContact O-N 2.9Å; I454-P518 HydrophobicContact CD1-CB 3.69Å; I454-P518 HydrophobicContact CD1-CG 4.34Å
455	N	73.2	Confident	85.5	Confident	85 Å²	85	37.2 Å²	37.2	46%	0.455	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	48.8	176.8	-62.3	-5	0	0	0	113.2	G457 T787	N455-G457 PolarHBondContact O-N 3.46Å; N455-T787 PolarHBondContact O-OG1 3.17Å
456	D	75.2	Confident	85.5	Confident	126 Å²	126	38.9 Å²	38.9	67%	0.674	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	18.3	-176.6	-59.2	-30.3	0	0	0	115.6	I454 H790	I454-D456 VanDerWaalsContact C-N 3.32Å; I454-D456 PolarHBondContact O-N 2.9Å; D456-H790 PolarHBondContact O-CD2 2.95Å; D456-H790 PolarHBondContact O-CE1 3.14Å; D456-H790 PolarHBondContact O-ND1 3.14Å; D456-H790 PolarHBondContact O-NE2 3.43Å
457	G	86.6	Confident	85.5	Confident	3 Å²	3	34.7 Å²	34.7	3%	0.031	19%	0.189	C	C	.	.			trans	-77.9	-154.6	178.4	0	0	0	0	0	114.5	T453 I454 N455	T453-G457 WeakPolarHBondContact CB-O 3.43Å; T453-G457 WeakPolarHBondContact OG1-CA 3.45Å; T453-G457 PolarHBondContact OG1-N 3Å; T453-G457 PolarHBondContact OG1-O 2.89Å; I454-G457 PolarHBondContact O-N 2.9Å; N455-G457 PolarHBondContact O-N 3.46Å
458	W	91.1	Very high	85.3	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.015	18%	0.18	C	C	.	.			trans	-130.4	151.4	176.6	61.8	101	0	0	0	112.8	Q430 T453 R786 T787 R866 Y867	Q430-W458 HydrophobicContact CB-CB 4.29Å; Q430-W458 WeakPolarHBondContact O-CA 3.31Å; T453-W458 PolarHBondContact OG1-N 3.46Å; W458-R786 HydrophobicContact CH2-CG 4.13Å; W458-R786 WeakPolarHBondContact CH2-O 3.47Å; W458-R786 HydrophobicContact CZ2-CG 4.08Å; W458-R786 PolarHBondContact O-NH2 2.68Å; W458-T787 HydrophobicContact CZ3-CG2 4.32Å; W458-R866 HydrophobicContact CB-CG 3.54Å; W458-R866 VanDerWaalsContact CD1-NE 3.33Å; W458-R866 HydrophobicContact CD2-CG 3.8Å; W458-R866 HydrophobicContact CE3-CG 4.34Å; W458-R866 VanDerWaalsContact CG-CD 3.5Å; W458-R866 HydrophobicContact CG-CG 3.4Å; W458-Y867 HydrophobicContact CD2-CE1 4Å; W458-Y867 AromaticContact CE2-CE1 3.7Å; W458-Y867 HydrophobicContact CE3-CD1 4.18Å; W458-Y867 HydrophobicContact CE3-CE1 4.03Å; W458-Y867 HydrophobicContact CH2-CD1 4.17Å; W458-Y867 AromaticContact CH2-CE1 3.63Å; W458-Y867 HydrophobicContact CH2-CE1 3.63Å; W458-Y867 HydrophobicContact CZ2-CD1 4.47Å; W458-Y867 AromaticContact CZ2-CE1 3.54Å; W458-Y867 HydrophobicContact CZ2-CE1 3.54Å; W458-Y867 AromaticContact CZ3-CD1 4Å; W458-Y867 HydrophobicContact CZ3-CD1 4Å; W458-Y867 AromaticContact CZ3-CE1 3.86Å; W458-Y867 HydrophobicContact CZ3-CE1 3.86Å
459	V	91.9	Very high	84.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.			trans	-79.7	167.4	175	-52.6	0	0	0	0	111.6	Q430 A433 E451	Q430-V459 WeakPolarHBondContact O-CG2 3.13Å; Q430-V459 PolarHBondContact O-N 2.84Å; A433-V459 HydrophobicContact CB-CB 4.13Å; A433-V459 HydrophobicContact CB-CG2 3.61Å; E451-V459 HydrophobicContact CG-CB 4.41Å; E451-V459 HydrophobicContact CG-CG1 3.98Å
460	L	86.7	Confident	83.3	Confident	27 Å²	27	43.2 Å²	43.2	14%	0.141	23%	0.225	C	C	.	.			trans	-111.7	104.8	177.5	-61.3	179.8	0	0	0	110.3	E463	L460-E463 HydrophobicContact CB-CG 3.88Å
461	P	81.6	Confident	81.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-24.4	-169	28.3	-32.3	0	0	0	114.7	E321 L322 G411 T424 T426 E463 F862	E321-P461 WeakPolarHBondContact O-CG 3.43Å; L322-P461 HydrophobicContact CD2-CB 4.43Å; L322-P461 HydrophobicContact CD2-CG 3.98Å; G411-P461 WeakPolarHBondContact CA-O 3.47Å; T424-P461 VanDerWaalsContact CG2-O 3.26Å; T424-P461 WeakPolarHBondContact CG2-O 3.35Å; T426-P461 HydrophobicContact CG2-CB 3.55Å; T426-P461 HydrophobicContact CG2-CG 4.03Å; P461-E463 PolarHBondContact O-N 3.13Å; P461-F862 HydrophobicContact CG-CZ 4.25Å
462	S	76	Confident	78.9	Confident	21 Å²	21	51 Å²	51	15%	0.147	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.1	175.4	54.5	0	0	0	0	115.2	E321 G411 R464	E321-S462 WeakPolarHBondContact O-CB 3.5Å; E321-S462 PolarHBondContact O-N 3.07Å; E321-S462 PolarHBondContact O-OG 2.95Å; G411-S462 WeakPolarHBondContact O-CA 3.29Å; S462-R464 WeakPolarHBondContact O-CG 3.41Å; S462-R464 PolarHBondContact O-N 3.27Å
463	E	81.4	Confident	76	Confident	20 Å²	20	49.9 Å²	49.9	9%	0.093	26%	0.264	C	S	.	.			trans	-66.3	100.6	-175.8	-73.3	-175.8	152.1	0	0	112.1	L460 P461 K515 R516 R528	L460-E463 HydrophobicContact CB-CG 3.88Å; P461-E463 PolarHBondContact O-N 3.13Å; E463-K515 WeakPolarHBondContact O-CE 3.34Å; E463-K515 WeakPolarHBondContact OE2-CE 3.35Å; E463-K515 IonicContact OE2-NZ 3.57Å; E463-K515 PolarHBondContact OE2-NZ 3.01Å; E463-R516 IonicContact OE1-CZ 3.14Å; E463-R516 VanDerWaalsContact OE1-CZ 3.22Å; E463-R516 IonicContact OE1-NE 3.53Å; E463-R516 PolarHBondContact OE1-NE 2.75Å; E463-R516 IonicContact OE1-NH2 3Å; E463-R516 PolarHBondContact OE1-NH2 2.67Å; E463-R528 IonicContact OE1-CZ 3.12Å; E463-R528 IonicContact OE1-NH1 2.7Å; E463-R528 PolarHBondContact OE1-NH1 2.98Å; E463-R528 IonicContact OE2-NH1 3.67Å; E463-R528 PolarHBondContact OE2-NH1 3.38Å
464	R	79.1	Confident	73.3	Confident	73 Å²	73	55.3 Å²	55.3	28%	0.275	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-72.2	129.5	179.4	-53.8	-174.8	-164.3	-117.5	-4	110.8	E323 R326 S327 L413 S462	E323-R464 IonicContact OE2-CZ 3.57Å; E323-R464 VanDerWaalsContact OE2-CZ 3.31Å; E323-R464 IonicContact OE2-NE 3.32Å; E323-R464 PolarHBondContact OE2-NE 3.22Å; E323-R464 IonicContact OE2-NH2 3.38Å; E323-R464 PolarHBondContact OE2-NH2 3.2Å; R326-R464 PolarHBondContact O-NH1 2.84Å; S327-R464 PolarHBondContact OG-NH1 3.5Å; S327-R464 PolarHBondContact OG-NH2 3.34Å; L413-R464 PolarHBondContact O-NH1 3.43Å; S462-R464 WeakPolarHBondContact O-CG 3.41Å; S462-R464 PolarHBondContact O-N 3.27Å
465	P	87.3	Confident	70.6	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.013	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-76.8	138.8	169.9	31.4	-34.3	0	0	0	111.3	T435 F467 L513 L514	T435-P465 HydrophobicContact CG2-CG 3.93Å; P465-F467 HydrophobicContact CB-CE2 4.13Å; P465-F467 HydrophobicContact CB-CZ 4.18Å; P465-F467 HydrophobicContact CG-CD2 4.49Å; P465-F467 HydrophobicContact CG-CE2 3.57Å; P465-F467 HydrophobicContact CG-CZ 3.71Å; P465-L513 HydrophobicContact CB-CB 4.29Å; P465-L513 HydrophobicContact CB-CD1 3.91Å; P465-L513 HydrophobicContact CB-CD2 4.25Å; P465-L513 HydrophobicContact CB-CG 4.39Å; P465-L514 CarbonylContact C-O 3.54Å; P465-L514 WeakPolarHBondContact CA-O 3.42Å
466	I	89.2	Confident	68.6	Low	46 Å²	46	68.2 Å²	68.2	24%	0.236	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.4	171.2	-61.3	177.2	0	0	0	108.3	L513 L514 I553 W556	I466-L513 CarbonylContact O-C 3.59Å; I466-L513 WeakPolarHBondContact O-CA 3.24Å; I466-L514 HydrophobicContact CB-CB 4.47Å; I466-L514 PolarHBondContact N-O 2.84Å; I466-L514 PolarHBondContact O-N 2.81Å; I466-I553 HydrophobicContact CD1-CB 3.94Å; I466-I553 HydrophobicContact CD1-CG2 3.64Å; I466-W556 HydrophobicContact CG2-CB 4.14Å
467	F	86.1	Confident	66.5	Low	32 Å²	32	69.4 Å²	69.4	14%	0.14	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	151.1	-177.3	-67.4	-85.8	0	0	0	113.2	A416 S422 L437 P465 Y512 L513	A416-F467 HydrophobicContact CB-CB 3.93Å; A416-F467 HydrophobicContact CB-CD1 3.74Å; A416-F467 HydrophobicContact CB-CD2 3.43Å; A416-F467 VanDerWaalsContact CB-CD2 3.43Å; A416-F467 HydrophobicContact CB-CE1 4.06Å; A416-F467 HydrophobicContact CB-CE2 3.76Å; A416-F467 HydrophobicContact CB-CG 3.41Å; A416-F467 VanDerWaalsContact CB-CG 3.41Å; A416-F467 HydrophobicContact CB-CZ 4.07Å; S422-F467 VanDerWaalsContact CB-CE2 3.43Å; S422-F467 WeakPolarHBondContact OG-CZ 3.46Å; L437-F467 HydrophobicContact CD1-CE1 4.24Å; L437-F467 HydrophobicContact CD1-CZ 4.16Å; P465-F467 HydrophobicContact CB-CE2 4.13Å; P465-F467 HydrophobicContact CB-CZ 4.18Å; P465-F467 HydrophobicContact CG-CD2 4.49Å; P465-F467 HydrophobicContact CG-CE2 3.57Å; P465-F467 HydrophobicContact CG-CZ 3.71Å; F467-Y512 WeakPolarHBondContact CA-O 3.48Å; F467-L513 HydrophobicContact CD1-CB 3.76Å; F467-L513 HydrophobicContact CD1-CD2 4.3Å; F467-L513 HydrophobicContact CE1-CB 3.92Å; F467-L513 HydrophobicContact CE1-CD2 3.61Å; F467-L513 HydrophobicContact CE1-CG 4.43Å; F467-L513 HydrophobicContact CG-CB 4.38Å; F467-L513 HydrophobicContact CZ-CD2 4.15Å
468	S	83.4	Confident	63.7	Low	13 Å²	13	72.9 Å²	72.9	9%	0.091	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-76.5	128.8	173.8	167.2	0	0	0	0	112.6	R470 Y512 E558	S468-R470 PolarHBondContact OG-N 3.28Å; S468-Y512 PolarHBondContact N-O 3.02Å; S468-E558 WeakPolarHBondContact CA-OE1 3.18Å; S468-E558 VanDerWaalsContact CB-OE2 3.31Å; S468-E558 WeakPolarHBondContact CB-OE2 3.43Å; S468-E558 PolarHBondContact OG-OE2 3.48Å
469	V	72.1	Confident	60.7	Low	93 Å²	93	81.9 Å²	81.9	56%	0.564	42%	0.419	S	S	*	.	S	Bend	trans	-76.1	-26.4	175.9	-174.6	0	0	0	0	111.7	N471 Q472 E558	V469-N471 PolarHBondContact O-N 3.14Å; V469-Q472 PolarHBondContact O-N 2.84Å; V469-E558 WeakPolarHBondContact CB-OE1 3.41Å; V469-E558 WeakPolarHBondContact CG2-OE1 3.47Å; V469-E558 PolarHBondContact N-OE1 3.4Å; V469-E558 PolarHBondContact N-OE2 2.86Å
470	R	59.1	Low	57.7	Low	132 Å²	132	90.7 Å²	90.7	50%	0.498	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-58.2	-16.5	-169.8	-159.1	167	-174.5	168.5	-0.8	115.3	S468 Q472 E558 E561	S468-R470 PolarHBondContact OG-N 3.28Å; R470-Q472 PolarHBondContact O-N 3.36Å; R470-E558 WeakPolarHBondContact CB-OE2 3.44Å; R470-E558 PolarHBondContact N-OE2 3.26Å; R470-E561 IonicContact NH1-OE1 2.68Å
471	N	46.5	Very low	55.1	Low	84 Å²	84	96.2 Å²	96.2	45%	0.449	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-82	-1.2	-179.3	-101.2	-12.7	0	0	0	116.6	V469 G473 G510 G511	V469-N471 PolarHBondContact O-N 3.14Å; N471-G473 PolarHBondContact O-N 3.22Å; N471-G510 VanDerWaalsContact ND2-C 3.3Å; N471-G510 PolarHBondContact ND2-O 2.85Å; N471-G511 WeakPolarHBondContact ND2-CA 3.36Å; N471-G511 PolarHBondContact ND2-N 2.9Å
472	Q	42.6	Very low	52.6	Low	147 Å²	147	104.4 Å²	104.4	69%	0.687	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-71	-10	176.9	-62.6	-170.1	17	0	0	114.2	V469 R470	V469-Q472 PolarHBondContact O-N 2.84Å; R470-Q472 PolarHBondContact O-N 3.36Å
473	G	31	Very low	50.3	Low	57 Å²	57	110.7 Å²	110.7	59%	0.588	57%	0.567	S	S	*	*	S	Bend	trans	-115.5	-27.6	-173.1	0	0	0	0	0	118	N471 N475	N471-G473 PolarHBondContact O-N 3.22Å; G473-N475 VanDerWaalsContact C-N 3.31Å; G473-N475 PolarHBondContact O-N 3.26Å
474	H	32.8	Very low	47.8	Very low	148 Å²	148	114.7 Å²	114.7	69%	0.685	60%	0.604	S	S	*	*			trans	-86.4	48.1	-159.9	-100.7	-82.8	0	0	0	116.3
475	N	29.8	Very low	45.3	Very low	162 Å²	162	120.5 Å²	120.5	87%	0.866	63%	0.634	S	S	*	*	S	Bend	trans	-113.8	26	176.3	-133	-16.7	0	0	0	113.5	G473	G473-N475 VanDerWaalsContact C-N 3.31Å; G473-N475 PolarHBondContact O-N 3.26Å
476	R	30.8	Very low	42.5	Very low	243 Å²	243	128.9 Å²	128.9	92%	0.917	67%	0.673	S	S	*	*	S	Bend	trans	-127.2	-2.1	-176.6	-83.7	-169.7	171.8	-167.9	-1.2	116.8
477	L	30.8	Very low	39.6	Very low	151 Å²	151	134.9 Å²	134.9	79%	0.791	70%	0.704	S	S	*	*			trans	-116.4	28.5	179.8	-137.3	74.5	0	0	0	113.4
478	G	28	Very low	36.7	Very low	76 Å²	76	141.5 Å²	141.5	78%	0.784	74%	0.735	S	S	*	*			trans	-101.1	28.1	-177.5	0	0	0	0	0	115.3
479	K	28.8	Very low	33.9	Very low	193 Å²	193	145.1 Å²	145.1	84%	0.839	77%	0.766	S	S	*	*	S	Bend	trans	-144.6	135.4	173	-74.3	-168.8	176.7	-177.3	0	109.5
480	M	29.7	Very low	31.5	Very low	184 Å²	184	149.2 Å²	149.2	91%	0.906	78%	0.779	S	S	*	*	S	Bend	trans	66.3	127.9	-156.1	-49.3	168.6	123.6	0	0	109.9
481	V	30.7	Very low	30	Very low	143 Å²	143	147.5 Å²	147.5	87%	0.867	79%	0.787	S	S	*	*			cis	-113.7	156.7	9.6	175.4	0	0	0	0	111.2
482	Q	30.1	Very low	29.4	Very low	173 Å²	173	152.3 Å²	152.3	81%	0.808	81%	0.806	S	S	*	*			trans	-126.7	146.5	172.8	-159.9	170.4	3.3	0	0	107.9
483	N	27.8	Very low	28.7	Very low	152 Å²	152	152.3 Å²	152.3	81%	0.813	81%	0.811	S	S	*	*			trans	83.1	101.6	-179.4	-47.8	-9.1	0	0	0	117.3
484	A	27.6	Very low	28.8	Very low	104 Å²	104	155.8 Å²	155.8	86%	0.86	82%	0.821	S	S	*	*			trans	-159.3	151	134.9	0	0	0	0	0	108
485	E	27.5	Very low	28.4	Very low	196 Å²	196	155.5 Å²	155.5	92%	0.916	83%	0.825	S	S	*	*			trans	-110.3	170.5	-170.3	-69.5	175.1	130.3	0	0	113.8
486	E	28.8	Very low	28.8	Very low	177 Å²	177	154 Å²	154	83%	0.827	82%	0.821	S	S	*	*			trans	-18.6	133.7	178.8	-54.8	-177.7	123.9	0	0	120.7
487	I	27	Very low	28.7	Very low	172 Å²	172	148.6 Å²	148.6	88%	0.882	82%	0.815	S	S	*	*			trans	-139	149.5	133.7	-65.3	-169.1	0	0	0	108.6
488	Q	25.2	Very low	28.7	Very low	172 Å²	172	149 Å²	149	80%	0.804	82%	0.818	S	S	*	*			trans	-100.6	164.9	179.8	-64.7	-178.6	-32	0	0	114
489	A	24.6	Very low	29.1	Very low	88 Å²	88	149.4 Å²	149.4	73%	0.727	82%	0.822	S	S	*	*			trans	96.5	139.2	143.6	0	0	0	0	0	122.3
490	E	22.8	Very low	29.4	Very low	180 Å²	180	146.1 Å²	146.1	84%	0.841	81%	0.81	S	S	*	*			trans	74.2	104.3	142.4	-76.6	177	172.6	0	0	124.5
491	S	27.1	Very low	29.9	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	80%	0.8	S	S	*	*				54.2	132.6	125.7	64.6	0	0	0	0	123.6
492	Q	35.1	Very low	30.4	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	78%	0.784	S	S	*	*			trans	24	117.3	142.5	-66.9	-175.2	-22.3	0	0	119.1
493	N	27.1	Very low	31.3	Very low	147 Å²	147	135.2 Å²	135.2	79%	0.786	76%	0.758	S	S	*	*			trans	-140.4	133.4	146.8	-87.4	-70.7	0	0	0	110.3
494	V	33	Very low	32.1	Very low	131 Å²	131	132 Å²	132	79%	0.794	74%	0.744	S	S	*	*			trans	-109.9	99.3	172.1	177.1	0	0	0	0	107.4	V496	V494-V496 HydrophobicContact CG1-CG2 4.34Å
495	N	25.1	Very low	33.1	Very low	142 Å²	142	130.2 Å²	130.2	76%	0.759	72%	0.717	S	S	*	*			trans	-94.5	114.9	177.1	-76.1	-7	0	0	0	110
496	V	36.4	Very low	33.6	Very low	130 Å²	130	125.7 Å²	125.7	79%	0.788	70%	0.696	S	S	*	*			trans	-95.5	105.7	175.6	179.4	0	0	0	0	109.5	V494	V494-V496 HydrophobicContact CG1-CG2 4.34Å
497	T	30.1	Very low	34.6	Very low	129 Å²	129	117.9 Å²	117.9	79%	0.791	66%	0.66	S	S	*	*			trans	-141.4	129.8	161.5	44.1	0	0	0	0	109.5
498	D	31	Very low	35.1	Very low	159 Å²	159	112.2 Å²	112.2	85%	0.85	64%	0.636	S	S	*	*	S	Bend	trans	68.9	72.6	172.4	-147.8	23.4	0	0	0	118.3	Q500	D498-Q500 VanDerWaalsContact C-N 3.26Å; D498-Q500 PolarHBondContact O-N 3.24Å
499	G	36.3	Very low	35.9	Very low	85 Å²	85	107.1 Å²	107.1	88%	0.876	61%	0.614	S	S	*	*	S	Bend	trans	73.4	-26.1	144.2	0	0	0	0	0	119.8
500	Q	35	Very low	37.2	Very low	125 Å²	125	103.2 Å²	103.2	58%	0.584	58%	0.583	S	S	*	*			trans	-120.5	133.2	-176	-62.6	-172.5	0.3	0	0	111.3	D498	D498-Q500 VanDerWaalsContact C-N 3.26Å; D498-Q500 PolarHBondContact O-N 3.24Å
501	T	38.8	Very low	39.3	Very low	112 Å²	112	95.9 Å²	95.9	69%	0.687	56%	0.555	S	S	*	*			trans	-85.4	124.3	175.4	42.7	0	0	0	0	110.5
502	H	41.3	Very low	41.9	Very low	117 Å²	117	92.3 Å²	92.3	54%	0.542	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.2	175	-61.6	-65.8	0	0	0	110.1	S597	H502-S597 WeakPolarHBondContact CA-O 3.29Å
503	T	48.9	Very low	44.5	Very low	41 Å²	41	83.7 Å²	83.7	25%	0.252	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	151.9	167.5	53.5	0	0	0	0	109.6	M545 T596 S597	T503-M545 HydrophobicContact CG2-CE 4.34Å; T503-T596 VanDerWaalsContact O-CA 3.24Å; T503-T596 WeakPolarHBondContact O-CA 3.34Å; T503-T596 WeakPolarHBondContact O-CG2 3.07Å; T503-S597 PolarHBondContact N-O 2.88Å; T503-S597 PolarHBondContact OG1-OG 2.98Å
504	T	44.9	Very low	47.6	Very low	85 Å²	85	76.7 Å²	76.7	52%	0.521	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.1	178.1	-50.6	0	0	0	0	111.7	Y594 I595 T596	T504-Y594 HydrophobicContact CG2-CD1 4.29Å; T504-I595 VanDerWaalsContact CA-O 3.26Å; T504-I595 WeakPolarHBondContact CA-O 3.41Å; T504-T596 HydrophobicContact CG2-CG2 4.03Å
505	H	49.8	Very low	50.4	Low	67 Å²	67	70.5 Å²	70.5	31%	0.31	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.8	-177.7	-62.3	-78.3	0	0	0	113.6	V541 Y594 I595	H505-V541 HydrophobicContact CB-CG1 3.76Å; H505-V541 HydrophobicContact CB-CG2 4.44Å; H505-V541 WeakPolarHBondContact CD2-CG1 3.49Å; H505-Y594 CarbonylContact O-C 3.56Å; H505-Y594 VanDerWaalsContact O-CA 3.29Å; H505-Y594 WeakPolarHBondContact O-CA 3.23Å; H505-I595 PolarHBondContact N-O 2.93Å; H505-I595 PolarHBondContact O-N 2.87Å
506	E	38.4	Very low	53.6	Low	101 Å²	101	65.2 Å²	65.2	47%	0.472	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136	179.3	-173.1	176.5	129.6	0	0	112.7	R592 T593 Y594	E506-R592 VanDerWaalsContact CD-NE 3.29Å; E506-R592 HydrophobicContact CG-CB 4.4Å; E506-R592 IonicContact OE1-CZ 3.22Å; E506-R592 VanDerWaalsContact OE1-CZ 3.28Å; E506-R592 IonicContact OE1-NE 2.73Å; E506-R592 PolarHBondContact OE1-NE 3.06Å; E506-R592 IonicContact OE1-NH2 3.71Å; E506-R592 PolarHBondContact OE1-NH2 3.36Å; E506-R592 IonicContact OE2-NE 2.62Å; E506-T593 CarbonylContact C-O 3.57Å; E506-T593 WeakPolarHBondContact CA-O 3.28Å; E506-Y594 HydrophobicContact CB-CD1 4.05Å; E506-Y594 HydrophobicContact CB-CE1 3.57Å; E506-Y594 HydrophobicContact CG-CE1 3.79Å; E506-Y594 PolarHBondContact OE2-OH 3.22Å
507	I	48.6	Very low	56.4	Low	13 Å²	13	59.6 Å²	59.6	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.8	-171.8	-61.4	-168.2	0	0	0	111.2	F532 S534 D537 V541 T593 I595	I507-F532 HydrophobicContact CD1-CD1 3.74Å; I507-F532 HydrophobicContact CD1-CE1 3.64Å; I507-S534 VanDerWaalsContact CG2-CB 3.46Å; I507-D537 WeakPolarHBondContact CG2-OD2 3.5Å; I507-V541 HydrophobicContact CD1-CG2 4.02Å; I507-T593 PolarHBondContact N-O 3.43Å; I507-T593 PolarHBondContact O-N 3.05Å; I507-T593 PolarHBondContact O-OG1 3.11Å; I507-T593 VanDerWaalsContact O-OG1 3.1Å; I507-I595 HydrophobicContact CD1-CD1 3.43Å; I507-I595 VanDerWaalsContact CD1-CD1 3.43Å; I507-I595 HydrophobicContact CD1-CG1 3.78Å
508	S	38.4	Very low	59.4	Low	53 Å²	53	54.7 Å²	54.7	37%	0.371	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	139.2	171.5	-53.6	0	0	0	0	112.3	G510 S534 D537	S508-G510 PolarHBondContact O-N 3.06Å; S508-S534 PolarHBondContact O-OG 3.32Å; S508-D537 VanDerWaalsContact CB-OD1 3.25Å; S508-D537 WeakPolarHBondContact CB-OD1 3.33Å; S508-D537 VanDerWaalsContact CB-OD2 3.28Å; S508-D537 WeakPolarHBondContact CB-OD2 3.45Å; S508-D537 PolarHBondContact N-OD2 2.96Å; S508-D537 PolarHBondContact OG-OD1 2.92Å
509	N	40.5	Very low	62.4	Low	64 Å²	64	48.2 Å²	48.2	34%	0.342	28%	0.283	S	S	.	.	S	Bend	trans	-62	104.3	-179	-68.3	-11.9	0	0	0	112.7	Y512 L536 N591 T593	N509-Y512 WeakPolarHBondContact CA-OH 3.31Å; N509-L536 WeakPolarHBondContact O-CD1 3.44Å; N509-N591 PolarHBondContact ND2-O 2.85Å; N509-N591 VanDerWaalsContact ND2-O 3.13Å; N509-N591 PolarHBondContact OD1-O 3.22Å; N509-T593 VanDerWaalsContact OD1-CG2 3.29Å; N509-T593 WeakPolarHBondContact OD1-CG2 3.25Å; N509-T593 PolarHBondContact OD1-OG1 2.83Å
510	G	52.2	Low	65.1	Low	7 Å²	7	52.5 Å²	52.5	7%	0.072	27%	0.273	C	S	.	.	S	Bend	trans	-142	-169.3	-173.2	0	0	0	0	0	113.1	N471 S508 Y512	N471-G510 VanDerWaalsContact ND2-C 3.3Å; N471-G510 PolarHBondContact ND2-O 2.85Å; S508-G510 PolarHBondContact O-N 3.06Å; G510-Y512 WeakPolarHBondContact O-CE1 3.49Å; G510-Y512 VanDerWaalsContact O-CZ 3.32Å
511	G	68.3	Low	67.7	Low	26 Å²	26	48.5 Å²	48.5	27%	0.268	26%	0.256	S	S	.	.			trans	-72.4	135.6	163	0	0	0	0	0	109.3	N471 S535	N471-G511 WeakPolarHBondContact ND2-CA 3.36Å; N471-G511 PolarHBondContact ND2-N 2.9Å; G511-S535 WeakPolarHBondContact CA-OG 3.4Å; G511-S535 PolarHBondContact N-OG 3.42Å; G511-S535 WeakPolarHBondContact O-CB 3.43Å; G511-S535 PolarHBondContact O-N 3.22Å; G511-S535 PolarHBondContact O-OG 2.81Å
512	Y	81.9	Confident	70	Confident	20 Å²	20	45.6 Å²	45.6	8%	0.078	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.7	-177.7	-48.6	-53.6	0	0	0	110.4	F467 S468 N509 G510 F532	F467-Y512 WeakPolarHBondContact CA-O 3.48Å; S468-Y512 PolarHBondContact N-O 3.02Å; N509-Y512 WeakPolarHBondContact CA-OH 3.31Å; G510-Y512 WeakPolarHBondContact O-CE1 3.49Å; G510-Y512 VanDerWaalsContact O-CZ 3.32Å; Y512-F532 VanDerWaalsContact CB-CZ 3.47Å; Y512-F532 AromaticContact CD1-CE1 3.78Å; Y512-F532 HydrophobicContact CD1-CE1 3.78Å; Y512-F532 HydrophobicContact CD1-CE2 4.42Å; Y512-F532 AromaticContact CD1-CZ 3.34Å; Y512-F532 HydrophobicContact CD1-CZ 3.34Å; Y512-F532 HydrophobicContact CD2-CZ 4.26Å; Y512-F532 HydrophobicContact CE1-CE1 4.5Å; Y512-F532 HydrophobicContact CE1-CZ 4.11Å; Y512-F532 HydrophobicContact CG-CE1 4.26Å; Y512-F532 HydrophobicContact CG-CE2 4.11Å; Y512-F532 AromaticContact CG-CZ 3.42Å; Y512-F532 HydrophobicContact CG-CZ 3.42Å; Y512-F532 VanDerWaalsContact CG-CZ 3.42Å
513	L	88.1	Confident	72	Confident	3 Å²	3	49 Å²	49	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.4	169.2	70	86	0	0	0	111.6	V448 P465 I466 F467 K515 I533	V448-L513 HydrophobicContact CG1-CD2 3.85Å; P465-L513 HydrophobicContact CB-CB 4.29Å; P465-L513 HydrophobicContact CB-CD1 3.91Å; P465-L513 HydrophobicContact CB-CD2 4.25Å; P465-L513 HydrophobicContact CB-CG 4.39Å; I466-L513 CarbonylContact O-C 3.59Å; I466-L513 WeakPolarHBondContact O-CA 3.24Å; F467-L513 HydrophobicContact CD1-CB 3.76Å; F467-L513 HydrophobicContact CD1-CD2 4.3Å; F467-L513 HydrophobicContact CE1-CB 3.92Å; F467-L513 HydrophobicContact CE1-CD2 3.61Å; F467-L513 HydrophobicContact CE1-CG 4.43Å; F467-L513 HydrophobicContact CG-CB 4.38Å; F467-L513 HydrophobicContact CZ-CD2 4.15Å; L513-K515 HydrophobicContact CD1-CB 4.07Å; L513-I533 HydrophobicContact CD1-CB 3.88Å; L513-I533 HydrophobicContact CD1-CD1 3.75Å; L513-I533 HydrophobicContact CD1-CG1 4.34Å; L513-I533 HydrophobicContact CG-CB 4.07Å; L513-I533 PolarHBondContact N-O 2.63Å; L513-I533 PolarHBondContact O-N 2.93Å
514	L	92.1	Very high	73.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.2	164.9	-56.8	178	0	0	0	108.2	P465 I466 V531 F532 L543 I553 W556 V563 L583	P465-L514 CarbonylContact C-O 3.54Å; P465-L514 WeakPolarHBondContact CA-O 3.42Å; I466-L514 HydrophobicContact CB-CB 4.47Å; I466-L514 PolarHBondContact N-O 2.84Å; I466-L514 PolarHBondContact O-N 2.81Å; L514-V531 WeakPolarHBondContact CA-O 3.46Å; L514-F532 HydrophobicContact CD2-CB 4.12Å; L514-F532 HydrophobicContact CD2-CD2 3.79Å; L514-F532 HydrophobicContact CD2-CG 4.37Å; L514-L543 HydrophobicContact CD2-CD1 3.7Å; L514-I553 HydrophobicContact CB-CD1 4.29Å; L514-W556 HydrophobicContact CD1-CB 4.02Å; L514-W556 HydrophobicContact CD1-CD2 3.68Å; L514-W556 HydrophobicContact CD1-CE3 3.69Å; L514-W556 HydrophobicContact CD1-CG 3.85Å; L514-W556 HydrophobicContact CD1-CZ3 4.36Å; L514-W556 HydrophobicContact CD2-CZ3 4.48Å; L514-W556 HydrophobicContact CG-CD2 4.17Å; L514-W556 HydrophobicContact CG-CE3 3.72Å; L514-W556 HydrophobicContact CG-CZ3 3.93Å; L514-V563 HydrophobicContact CD1-CB 4.35Å; L514-V563 HydrophobicContact CD1-CG1 3.72Å; L514-V563 HydrophobicContact CD1-CG2 3.61Å; L514-L583 HydrophobicContact CD2-CD2 4.16Å
515	K	91.9	Very high	75.7	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.4	165.8	-153.6	-156.1	166.9	-168.2	0	109	E451 E463 L513 L517 V531 I533	E451-K515 IonicContact OE2-NZ 3.41Å; E451-K515 PolarHBondContact OE2-NZ 2.75Å; E463-K515 WeakPolarHBondContact O-CE 3.34Å; E463-K515 WeakPolarHBondContact OE2-CE 3.35Å; E463-K515 IonicContact OE2-NZ 3.57Å; E463-K515 PolarHBondContact OE2-NZ 3.01Å; L513-K515 HydrophobicContact CD1-CB 4.07Å; K515-L517 HydrophobicContact CB-CG 4.44Å; K515-L517 HydrophobicContact CD-CD2 3.94Å; K515-L517 HydrophobicContact CD-CG 4.17Å; K515-V531 PolarHBondContact N-O 3.14Å; K515-V531 PolarHBondContact O-N 2.88Å; K515-V531 VanDerWaalsContact O-O 3.07Å; K515-I533 HydrophobicContact CB-CD1 4.36Å
516	R	93.7	Very high	77.9	Confident	30 Å²	30	46.1 Å²	46.1	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.3	161.3	-169	179.1	69.1	143.9	-1.7	108.7	E463 R528 H529 E549 V550 I553	E463-R516 IonicContact OE1-CZ 3.14Å; E463-R516 VanDerWaalsContact OE1-CZ 3.22Å; E463-R516 IonicContact OE1-NE 3.53Å; E463-R516 PolarHBondContact OE1-NE 2.75Å; E463-R516 IonicContact OE1-NH2 3Å; E463-R516 PolarHBondContact OE1-NH2 2.67Å; R516-R528 HydrophobicContact CG-CB 3.88Å; R516-R528 VanDerWaalsContact CZ-CD 3.41Å; R516-H529 VanDerWaalsContact CA-O 3.31Å; R516-H529 WeakPolarHBondContact CA-O 3.49Å; R516-E549 IonicContact NH1-OE1 2.71Å; R516-V550 WeakPolarHBondContact CD-O 3.38Å; R516-V550 HydrophobicContact CG-CG1 4.45Å; R516-V550 PolarHBondContact NH1-O 3.12Å; R516-I553 HydrophobicContact CB-CD1 4.39Å
517	L	93.6	Very high	80.5	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155.9	178	-75.8	175.2	0	0	0	111.5	E451 K515 V519 R528 H529 V531 I533 P540	E451-L517 HydrophobicContact CB-CD2 3.93Å; E451-L517 HydrophobicContact CG-CD2 3.71Å; E451-L517 WeakPolarHBondContact OE2-CD2 3.38Å; K515-L517 HydrophobicContact CB-CG 4.44Å; K515-L517 HydrophobicContact CD-CD2 3.94Å; K515-L517 HydrophobicContact CD-CG 4.17Å; L517-V519 PolarHBondContact O-N 2.85Å; L517-R528 WeakPolarHBondContact O-CA 3.3Å; L517-H529 PolarHBondContact N-O 3.01Å; L517-H529 PolarHBondContact O-N 3.09Å; L517-V531 HydrophobicContact CB-CB 4.19Å; L517-V531 HydrophobicContact CB-CG2 3.82Å; L517-V531 HydrophobicContact CD1-CB 4.24Å; L517-V531 HydrophobicContact CD1-CG1 4.03Å; L517-I533 HydrophobicContact CD1-CD1 4.01Å; L517-P540 HydrophobicContact CD1-CB 4.28Å
518	P	93.9	Very high	82.7	Confident	26 Å²	26	42.5 Å²	42.5	17%	0.169	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	126.7	170.4	-23.5	35.9	0	0	0	112.6	I454 H526 Y527 R528 E783	I454-P518 HydrophobicContact CD1-CB 3.69Å; I454-P518 HydrophobicContact CD1-CG 4.34Å; P518-H526 HydrophobicContact CB-CB 4.13Å; P518-Y527 WeakPolarHBondContact CA-O 3.41Å; P518-R528 HydrophobicContact CG-CG 4.25Å; P518-E783 HydrophobicContact CB-CG 4.17Å; P518-E783 HydrophobicContact CG-CG 4.23Å
519	V	94.3	Very high	85.5	Confident	23 Å²	23	40 Å²	40	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137	173.6	178.3	0	0	0	0	108.4	L517 H526 Y527 H529 V531 P542	L517-V519 PolarHBondContact O-N 2.85Å; V519-H526 CarbonylContact O-C 3.54Å; V519-H526 WeakPolarHBondContact O-CA 3.09Å; V519-Y527 PolarHBondContact N-O 2.75Å; V519-Y527 PolarHBondContact O-N 2.8Å; V519-H529 HydrophobicContact CB-CB 4.17Å; V519-H529 HydrophobicContact CG2-CB 3.78Å; V519-V531 HydrophobicContact CG2-CG2 3.65Å; V519-P542 HydrophobicContact CG1-CB 3.89Å; V519-P542 HydrophobicContact CG1-CG 4.41Å; V519-P542 HydrophobicContact CG2-CB 3.81Å
520	R	92.6	Very high	88.1	Confident	176 Å²	176	37 Å²	37	66%	0.664	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.4	-175.3	-169.1	179	170.1	177	-1.4	111.6	G522 G525 H526	R520-G522 PolarHBondContact NE-O 2.92Å; R520-G522 VanDerWaalsContact NE-O 3.11Å; R520-G522 PolarHBondContact NH2-O 2.76Å; R520-G525 WeakPolarHBondContact CA-O 3.4Å; R520-G525 WeakPolarHBondContact CG-O 3.41Å; R520-H526 VanDerWaalsContact CA-CD2 3.42Å; R520-H526 WeakPolarHBondContact CA-CD2 3.25Å; R520-H526 VanDerWaalsContact CB-CD2 3.5Å; R520-H526 WeakPolarHBondContact CB-CD2 3.45Å; R520-H526 WeakPolarHBondContact CB-NE2 3.47Å; R520-H526 PolarHBondContact N-CD2 2.59Å
521	D	89.8	Confident	90.1	Very high	41 Å²	41	36.8 Å²	36.8	22%	0.219	19%	0.189	C	C	.	.			trans	-120.6	79.8	175.2	-163.4	62.8	0	0	0	110.5	E523 H524 G525 Y527 R547	D521-E523 PolarHBondContact O-N 2.97Å; D521-H524 PolarHBondContact O-N 3.32Å; D521-H524 IonicContact OD2-CD2 3.94Å; D521-G525 PolarHBondContact N-O 3.16Å; D521-Y527 HydrophobicContact CB-CD2 4.01Å; D521-Y527 HydrophobicContact CB-CE2 4.33Å; D521-R547 WeakPolarHBondContact OD2-CG 3.31Å
522	G	86.9	Confident	91.2	Very high	50 Å²	50	35.5 Å²	35.5	52%	0.515	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-118.2	176.2	0	0	0	0	0	114.7	R520	R520-G522 PolarHBondContact NE-O 2.92Å; R520-G522 VanDerWaalsContact NE-O 3.11Å; R520-G522 PolarHBondContact NH2-O 2.76Å
523	E	83.1	Confident	91.4	Very high	189 Å²	189	34.6 Å²	34.6	88%	0.883	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-15.3	176.1	-61.8	-171.6	150.3	0	0	113	D521 G525	D521-E523 PolarHBondContact O-N 2.97Å; E523-G525 PolarHBondContact O-N 2.71Å; E523-G525 VanDerWaalsContact O-N 3.13Å
524	H	82.7	Confident	91.1	Very high	94 Å²	94	34.5 Å²	34.5	44%	0.435	17%	0.172	S	C	.	.	S	Bend	trans	-73.9	0.7	179.1	-59	-65	0	0	0	113.3	D521 Y527 R547	D521-H524 PolarHBondContact O-N 3.32Å; D521-H524 IonicContact OD2-CD2 3.94Å; H524-Y527 HydrophobicContact CB-CE2 4.16Å; H524-R547 HydrophobicContact CB-CG 4.48Å; H524-R547 WeakPolarHBondContact CD2-CD 3.15Å; H524-R547 PolarHBondContact NE2-NH1 2.9Å
525	G	90	Very high	90	Very high	8 Å²	8	36.1 Å²	36.1	8%	0.082	18%	0.183	C	C	.	.			trans	95.5	-127.5	175.5	0	0	0	0	0	112.2	R520 D521 E523	R520-G525 WeakPolarHBondContact CA-O 3.4Å; R520-G525 WeakPolarHBondContact CG-O 3.41Å; D521-G525 PolarHBondContact N-O 3.16Å; E523-G525 PolarHBondContact O-N 2.71Å; E523-G525 VanDerWaalsContact O-N 3.13Å
526	H	94.1	Very high	88.8	Confident	31 Å²	31	41.2 Å²	41.2	14%	0.144	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142	-178.8	-58.1	74.3	0	0	0	110.3	P518 V519 R520 E783	P518-H526 HydrophobicContact CB-CB 4.13Å; V519-H526 CarbonylContact O-C 3.54Å; V519-H526 WeakPolarHBondContact O-CA 3.09Å; R520-H526 VanDerWaalsContact CA-CD2 3.42Å; R520-H526 WeakPolarHBondContact CA-CD2 3.25Å; R520-H526 VanDerWaalsContact CB-CD2 3.5Å; R520-H526 WeakPolarHBondContact CB-CD2 3.45Å; R520-H526 WeakPolarHBondContact CB-NE2 3.47Å; R520-H526 PolarHBondContact N-CD2 2.59Å; H526-E783 HydrophobicContact CB-CB 4.19Å; H526-E783 HydrophobicContact CB-CG 4.24Å; H526-E783 WeakPolarHBondContact O-CB 3.28Å; H526-E783 PolarHBondContact O-N 2.96Å
527	Y	94.9	Very high	87.5	Confident	33 Å²	33	42.4 Å²	42.4	13%	0.129	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.3	175	-69.1	-88.2	0	0	0	109.4	P518 V519 D521 H524 H529 G546 R547 Q781 G782	P518-Y527 WeakPolarHBondContact CA-O 3.41Å; V519-Y527 PolarHBondContact N-O 2.75Å; V519-Y527 PolarHBondContact O-N 2.8Å; D521-Y527 HydrophobicContact CB-CD2 4.01Å; D521-Y527 HydrophobicContact CB-CE2 4.33Å; H524-Y527 HydrophobicContact CB-CE2 4.16Å; Y527-H529 PolarHBondContact O-CD2 3.32Å; Y527-H529 PolarHBondContact O-N 3.34Å; Y527-G546 WeakPolarHBondContact CD2-O 3.41Å; Y527-R547 HydrophobicContact CE2-CB 4.1Å; Y527-R547 HydrophobicContact CE2-CG 4.07Å; Y527-Q781 WeakPolarHBondContact CE1-O 3.32Å; Y527-G782 VanDerWaalsContact CD1-CA 3.5Å
528	R	94.3	Very high	86.5	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.8	176.8	-75.9	-162.8	175.9	-105.3	-18.4	110.3	E451 E463 R516 L517 P518 E549 V550 E783	E451-R528 IonicContact OE1-CZ 3.64Å; E451-R528 IonicContact OE1-NH1 2.69Å; E451-R528 PolarHBondContact OE1-NH1 3.39Å; E451-R528 VanDerWaalsContact OE1-NH1 3.09Å; E451-R528 IonicContact OE1-NH2 3.28Å; E451-R528 PolarHBondContact OE1-NH2 3.21Å; E451-R528 IonicContact OE2-NH1 3.99Å; E463-R528 IonicContact OE1-CZ 3.12Å; E463-R528 IonicContact OE1-NH1 2.7Å; E463-R528 PolarHBondContact OE1-NH1 2.98Å; E463-R528 IonicContact OE2-NH1 3.67Å; E463-R528 PolarHBondContact OE2-NH1 3.38Å; R516-R528 HydrophobicContact CG-CB 3.88Å; R516-R528 VanDerWaalsContact CZ-CD 3.41Å; L517-R528 WeakPolarHBondContact O-CA 3.3Å; P518-R528 HydrophobicContact CG-CG 4.25Å; R528-E549 HydrophobicContact CB-CG 3.91Å; R528-V550 WeakPolarHBondContact O-CB 3.46Å; R528-V550 PolarHBondContact O-N 2.91Å; R528-E783 IonicContact CZ-OE1 3.6Å; R528-E783 VanDerWaalsContact CZ-OE1 3.32Å; R528-E783 IonicContact NE-OE1 3.95Å; R528-E783 PolarHBondContact NE-OE1 3.35Å; R528-E783 IonicContact NH2-OE1 3.66Å; R528-E783 PolarHBondContact NH2-OE1 3.05Å
529	H	96.1	Very high	85.8	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.3	-171.2	-85	-61.4	0	0	0	112.1	R516 L517 V519 Y527 V531 T544 G546 F548 V550	R516-H529 VanDerWaalsContact CA-O 3.31Å; R516-H529 WeakPolarHBondContact CA-O 3.49Å; L517-H529 PolarHBondContact N-O 3.01Å; L517-H529 PolarHBondContact O-N 3.09Å; V519-H529 HydrophobicContact CB-CB 4.17Å; V519-H529 HydrophobicContact CG2-CB 3.78Å; Y527-H529 PolarHBondContact O-CD2 3.32Å; Y527-H529 PolarHBondContact O-N 3.34Å; H529-V531 PolarHBondContact O-N 3.06Å; H529-T544 WeakPolarHBondContact CB-O 3.42Å; H529-T544 VanDerWaalsContact CB-OG1 3.27Å; H529-T544 WeakPolarHBondContact CB-OG1 3.23Å; H529-T544 WeakPolarHBondContact CE1-CB 3.34Å; H529-T544 PolarHBondContact CE1-OG1 3.47Å; H529-T544 PolarHBondContact ND1-OG1 2.97Å; H529-G546 PolarHBondContact NE2-O 3.49Å; H529-F548 AromaticContact CE1-CE2 3.34Å; H529-F548 WeakPolarHBondContact CE1-CE2 3.3Å; H529-F548 AromaticContact CE1-CZ 3.35Å; H529-F548 WeakPolarHBondContact CE1-CZ 3.39Å; H529-F548 AromaticContact ND1-CE2 3.83Å; H529-F548 AromaticContact ND1-CZ 3.76Å; H529-F548 AromaticContact NE2-CD1 2.93Å; H529-F548 WeakPolarHBondContact NE2-CD1 3.47Å; H529-F548 AromaticContact NE2-CD2 3.09Å; H529-F548 WeakPolarHBondContact NE2-CD2 3.39Å; H529-F548 AromaticContact NE2-CE1 2.72Å; H529-F548 WeakPolarHBondContact NE2-CE1 3.49Å; H529-F548 AromaticContact NE2-CE2 2.89Å; H529-F548 WeakPolarHBondContact NE2-CE2 3.22Å; H529-F548 AromaticContact NE2-CG 3.11Å; H529-F548 WeakPolarHBondContact NE2-CG 3.37Å; H529-F548 AromaticContact NE2-CZ 2.7Å; H529-F548 WeakPolarHBondContact NE2-CZ 3.33Å; H529-F548 PolarHBondContact NE2-O 3.42Å; H529-V550 WeakPolarHBondContact CE1-CG2 3.27Å
530	V	95.9	Very high	85.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.4	172.1	-170.8	0	0	0	0	109.2	L543 T544 V550 I553 V563 F565	V530-L543 HydrophobicContact CB-CB 4.43Å; V530-L543 HydrophobicContact CG1-CB 4.41Å; V530-L543 HydrophobicContact CG1-CD1 4.04Å; V530-L543 PolarHBondContact O-N 2.86Å; V530-T544 HydrophobicContact CB-CG2 4.22Å; V530-T544 HydrophobicContact CG2-CG2 4.22Å; V530-T544 PolarHBondContact N-OG1 2.95Å; V530-T544 PolarHBondContact O-N 3.4Å; V530-V550 HydrophobicContact CG2-CG1 4.15Å; V530-V550 HydrophobicContact CG2-CG2 4.16Å; V530-I553 HydrophobicContact CG1-CD1 4.07Å; V530-I553 HydrophobicContact CG2-CG1 4.34Å; V530-V563 HydrophobicContact CG1-CG1 4.28Å; V530-F565 HydrophobicContact CG2-CB 4.17Å; V530-F565 HydrophobicContact CG2-CD1 3.74Å; V530-F565 HydrophobicContact CG2-CD2 4.35Å; V530-F565 HydrophobicContact CG2-CE1 4.15Å; V530-F565 HydrophobicContact CG2-CG 3.84Å
531	V	93.9	Very high	85.3	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.9	-178.8	179.5	0	0	0	0	110	L514 K515 L517 V519 H529 P540 V541	L514-V531 WeakPolarHBondContact CA-O 3.46Å; K515-V531 PolarHBondContact N-O 3.14Å; K515-V531 PolarHBondContact O-N 2.88Å; K515-V531 VanDerWaalsContact O-O 3.07Å; L517-V531 HydrophobicContact CB-CB 4.19Å; L517-V531 HydrophobicContact CB-CG2 3.82Å; L517-V531 HydrophobicContact CD1-CB 4.24Å; L517-V531 HydrophobicContact CD1-CG1 4.03Å; V519-V531 HydrophobicContact CG2-CG2 3.65Å; H529-V531 PolarHBondContact O-N 3.06Å; V531-P540 HydrophobicContact CG1-CB 3.46Å; V531-P540 VanDerWaalsContact CG1-CB 3.46Å; V531-V541 WeakPolarHBondContact CA-O 3.49Å
532	F	91.3	Very high	85.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.4	174.1	-176.2	-78.1	0	0	0	110.6	I507 Y512 L514 P540 V541 L543 W556 L583 L585 I595	I507-F532 HydrophobicContact CD1-CD1 3.74Å; I507-F532 HydrophobicContact CD1-CE1 3.64Å; Y512-F532 VanDerWaalsContact CB-CZ 3.47Å; Y512-F532 AromaticContact CD1-CE1 3.78Å; Y512-F532 HydrophobicContact CD1-CE1 3.78Å; Y512-F532 HydrophobicContact CD1-CE2 4.42Å; Y512-F532 AromaticContact CD1-CZ 3.34Å; Y512-F532 HydrophobicContact CD1-CZ 3.34Å; Y512-F532 HydrophobicContact CD2-CZ 4.26Å; Y512-F532 HydrophobicContact CE1-CE1 4.5Å; Y512-F532 HydrophobicContact CE1-CZ 4.11Å; Y512-F532 HydrophobicContact CG-CE1 4.26Å; Y512-F532 HydrophobicContact CG-CE2 4.11Å; Y512-F532 AromaticContact CG-CZ 3.42Å; Y512-F532 HydrophobicContact CG-CZ 3.42Å; Y512-F532 VanDerWaalsContact CG-CZ 3.42Å; L514-F532 HydrophobicContact CD2-CB 4.12Å; L514-F532 HydrophobicContact CD2-CD2 3.79Å; L514-F532 HydrophobicContact CD2-CG 4.37Å; F532-P540 CarbonylContact O-C 3.54Å; F532-P540 WeakPolarHBondContact O-CA 3.39Å; F532-V541 HydrophobicContact CB-CB 4.47Å; F532-V541 PolarHBondContact N-O 3.46Å; F532-V541 PolarHBondContact O-N 3.38Å; F532-L543 HydrophobicContact CB-CD1 4.08Å; F532-L543 HydrophobicContact CB-CD2 3.89Å; F532-L543 HydrophobicContact CB-CG 3.99Å; F532-W556 HydrophobicContact CD2-CH2 4.39Å; F532-W556 AromaticContact CE2-CH2 3.83Å; F532-W556 HydrophobicContact CE2-CH2 3.83Å; F532-W556 HydrophobicContact CE2-CZ2 4.31Å; F532-L583 HydrophobicContact CD2-CD2 4.31Å; F532-L585 HydrophobicContact CE2-CD2 4.25Å; F532-L585 HydrophobicContact CZ-CD2 4.15Å; F532-I595 HydrophobicContact CB-CD1 4.28Å; F532-I595 HydrophobicContact CD1-CD1 3.36Å; F532-I595 HydrophobicContact CD2-CD1 3.54Å; F532-I595 HydrophobicContact CE1-CD1 3.35Å; F532-I595 HydrophobicContact CE2-CD1 3.48Å; F532-I595 VanDerWaalsContact CE2-CD1 3.48Å; F532-I595 HydrophobicContact CG-CD1 3.46Å; F532-I595 VanDerWaalsContact CG-CD1 3.46Å; F532-I595 HydrophobicContact CZ-CD1 3.37Å
533	I	87.3	Confident	85.7	Confident	1 Å²	1	47 Å²	47	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.2	174.8	-64.9	154.5	0	0	0	109.8	H449 L513 K515 L517 P540	H449-I533 HydrophobicContact CB-CD1 4.12Å; H449-I533 HydrophobicContact CB-CG2 4.35Å; L513-I533 HydrophobicContact CD1-CB 3.88Å; L513-I533 HydrophobicContact CD1-CD1 3.75Å; L513-I533 HydrophobicContact CD1-CG1 4.34Å; L513-I533 HydrophobicContact CG-CB 4.07Å; L513-I533 PolarHBondContact N-O 2.63Å; L513-I533 PolarHBondContact O-N 2.93Å; K515-I533 HydrophobicContact CB-CD1 4.36Å; L517-I533 HydrophobicContact CD1-CD1 4.01Å; I533-P540 HydrophobicContact CG1-CB 4.22Å
534	S	80.3	Confident	86.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.6	165	161.5	0	0	0	0	110.5	I507 S508 L536 D537 R538	I507-S534 VanDerWaalsContact CG2-CB 3.46Å; S508-S534 PolarHBondContact O-OG 3.32Å; S534-L536 PolarHBondContact O-N 3.4Å; S534-L536 PolarHBondContact OG-N 3.04Å; S534-D537 VanDerWaalsContact CB-OD2 3.23Å; S534-D537 WeakPolarHBondContact CB-OD2 3.32Å; S534-D537 PolarHBondContact OG-N 3Å; S534-D537 PolarHBondContact OG-OD2 3.4Å; S534-R538 VanDerWaalsContact O-CA 3.26Å; S534-R538 WeakPolarHBondContact O-CA 3.27Å; S534-R538 PolarHBondContact O-N 3.37Å
535	S	68.5	Low	86.7	Confident	33 Å²	33	38.5 Å²	38.5	23%	0.231	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17	-179.9	76.3	0	0	0	0	113.9	G511	G511-S535 WeakPolarHBondContact CA-OG 3.4Å; G511-S535 PolarHBondContact N-OG 3.42Å; G511-S535 WeakPolarHBondContact O-CB 3.43Å; G511-S535 PolarHBondContact O-N 3.22Å; G511-S535 PolarHBondContact O-OG 2.81Å
536	L	67.7	Low	86.8	Confident	109 Å²	109	38.9 Å²	38.9	57%	0.571	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-53.5	177.9	-63.8	-176	0	0	0	110.9	N509 S534 R538	N509-L536 WeakPolarHBondContact O-CD1 3.44Å; S534-L536 PolarHBondContact O-N 3.4Å; S534-L536 PolarHBondContact OG-N 3.04Å; L536-R538 VanDerWaalsContact C-N 3.32Å; L536-R538 PolarHBondContact O-N 2.79Å
537	D	66.8	Low	86.8	Confident	55 Å²	55	41.8 Å²	41.8	29%	0.294	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.3	-177.6	-50.2	-75.9	0	0	0	112.2	I507 S508 S534 R539	I507-D537 WeakPolarHBondContact CG2-OD2 3.5Å; S508-D537 VanDerWaalsContact CB-OD1 3.25Å; S508-D537 WeakPolarHBondContact CB-OD1 3.33Å; S508-D537 VanDerWaalsContact CB-OD2 3.28Å; S508-D537 WeakPolarHBondContact CB-OD2 3.45Å; S508-D537 PolarHBondContact N-OD2 2.96Å; S508-D537 PolarHBondContact OG-OD1 2.92Å; S534-D537 VanDerWaalsContact CB-OD2 3.23Å; S534-D537 WeakPolarHBondContact CB-OD2 3.32Å; S534-D537 PolarHBondContact OG-N 3Å; S534-D537 PolarHBondContact OG-OD2 3.4Å; D537-R539 HydrophobicContact CB-CB 4.4Å; D537-R539 HydrophobicContact CB-CG 4.33Å; D537-R539 PolarHBondContact O-N 3.39Å
538	R	71.8	Confident	86.7	Confident	112 Å²	112	41.9 Å²	41.9	42%	0.423	20%	0.203	S	C	.	.			trans	57.8	8	-173.9	-51.7	-174.5	168.4	151.1	-12.4	114.9	A447 V448 S534 L536	A447-R538 VanDerWaalsContact O-CZ 3.28Å; A447-R538 PolarHBondContact O-NE 3.19Å; A447-R538 PolarHBondContact O-NH2 3.23Å; V448-R538 WeakPolarHBondContact O-CB 3.38Å; V448-R538 WeakPolarHBondContact O-CD 3.44Å; V448-R538 WeakPolarHBondContact O-CG 3.49Å; S534-R538 VanDerWaalsContact O-CA 3.26Å; S534-R538 WeakPolarHBondContact O-CA 3.27Å; S534-R538 PolarHBondContact O-N 3.37Å; L536-R538 VanDerWaalsContact C-N 3.32Å; L536-R538 PolarHBondContact O-N 2.79Å
539	R	79.3	Confident	86.8	Confident	188 Å²	188	42.1 Å²	42.1	71%	0.709	21%	0.205	S	C	*	.			trans	-79.7	126.7	-179	-68.7	179.9	-178.4	-167.5	-0.8	110.6	D537	D537-R539 HydrophobicContact CB-CB 4.4Å; D537-R539 HydrophobicContact CB-CG 4.33Å; D537-R539 PolarHBondContact O-N 3.39Å
540	P	87.1	Confident	86.8	Confident	72 Å²	72	42.1 Å²	42.1	47%	0.468	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.1	168.2	28.4	-31.1	0	0	0	111.1	L517 V531 F532 I533	L517-P540 HydrophobicContact CD1-CB 4.28Å; V531-P540 HydrophobicContact CG1-CB 3.46Å; V531-P540 VanDerWaalsContact CG1-CB 3.46Å; F532-P540 CarbonylContact O-C 3.54Å; F532-P540 WeakPolarHBondContact O-CA 3.39Å; I533-P540 HydrophobicContact CG1-CB 4.22Å
541	V	89.5	Confident	86.7	Confident	13 Å²	13	43.5 Å²	43.5	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.9	175.6	175.6	0	0	0	0	108.7	H505 I507 V531 F532 L543	H505-V541 HydrophobicContact CB-CG1 3.76Å; H505-V541 HydrophobicContact CB-CG2 4.44Å; H505-V541 WeakPolarHBondContact CD2-CG1 3.49Å; I507-V541 HydrophobicContact CD1-CG2 4.02Å; V531-V541 WeakPolarHBondContact CA-O 3.49Å; F532-V541 HydrophobicContact CB-CB 4.47Å; F532-V541 PolarHBondContact N-O 3.46Å; F532-V541 PolarHBondContact O-N 3.38Å; V541-L543 PolarHBondContact O-N 3.34Å
542	P	92.4	Very high	86.7	Confident	35 Å²	35	48.5 Å²	48.5	23%	0.227	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.8	-177.6	29.4	-34	0	0	0	111.1	V519	V519-P542 HydrophobicContact CG1-CB 3.89Å; V519-P542 HydrophobicContact CG1-CG 4.41Å; V519-P542 HydrophobicContact CG2-CB 3.81Å
543	L	93.2	Very high	86.9	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	-90.2	-21.6	175.9	-56.9	-174.3	0	0	0	112.5	L514 V530 F532 V541 I581 L583 I595 S597	L514-L543 HydrophobicContact CD2-CD1 3.7Å; V530-L543 HydrophobicContact CB-CB 4.43Å; V530-L543 HydrophobicContact CG1-CB 4.41Å; V530-L543 HydrophobicContact CG1-CD1 4.04Å; V530-L543 PolarHBondContact O-N 2.86Å; F532-L543 HydrophobicContact CB-CD1 4.08Å; F532-L543 HydrophobicContact CB-CD2 3.89Å; F532-L543 HydrophobicContact CB-CG 3.99Å; V541-L543 PolarHBondContact O-N 3.34Å; L543-I581 HydrophobicContact CB-CD1 3.68Å; L543-I581 HydrophobicContact CD1-CD1 4.18Å; L543-L583 HydrophobicContact CD1-CD1 3.66Å; L543-L583 HydrophobicContact CD1-CD2 3.69Å; L543-L583 HydrophobicContact CD1-CG 4.27Å; L543-L583 HydrophobicContact CD2-CD1 3.58Å; L543-L583 HydrophobicContact CG-CD1 4.24Å; L543-I595 HydrophobicContact CD2-CG2 3.95Å; L543-S597 PolarHBondContact O-OG 3.34Å
544	T	94.3	Very high	87.1	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.025	25%	0.251	C	S	.	.			trans	-134.5	153.4	176.7	62.5	0	0	0	0	110.2	H529 V530 F565 I581 P600	H529-T544 WeakPolarHBondContact CB-O 3.42Å; H529-T544 VanDerWaalsContact CB-OG1 3.27Å; H529-T544 WeakPolarHBondContact CB-OG1 3.23Å; H529-T544 WeakPolarHBondContact CE1-CB 3.34Å; H529-T544 PolarHBondContact CE1-OG1 3.47Å; H529-T544 PolarHBondContact ND1-OG1 2.97Å; V530-T544 HydrophobicContact CB-CG2 4.22Å; V530-T544 HydrophobicContact CG2-CG2 4.22Å; V530-T544 PolarHBondContact N-OG1 2.95Å; V530-T544 PolarHBondContact O-N 3.4Å; T544-F565 HydrophobicContact CG2-CE1 4Å; T544-F565 HydrophobicContact CG2-CZ 3.8Å; T544-I581 HydrophobicContact CG2-CD1 4.07Å; T544-I581 HydrophobicContact CG2-CG2 4.19Å; T544-P600 HydrophobicContact CG2-CG 4.03Å
545	M	92.9	Very high	87.7	Confident	99 Å²	99	51.2 Å²	51.2	49%	0.488	25%	0.252	S	S	.	.			trans	-156.8	161.9	178.7	60.1	-172.9	71.6	0	0	110.7	T503 F548	T503-M545 HydrophobicContact CG2-CE 4.34Å; M545-F548 WeakPolarHBondContact O-CE1 3.08Å
546	G	91.7	Very high	88.8	Confident	17 Å²	17	50.1 Å²	50.1	18%	0.175	24%	0.243	C	C	.	.	S	Bend	trans	124.2	-176.2	177.2	0	0	0	0	0	113.5	Y527 H529 F548	Y527-G546 WeakPolarHBondContact CD2-O 3.41Å; H529-G546 PolarHBondContact NE2-O 3.49Å; G546-F548 PolarHBondContact O-N 3.49Å
547	R	92.6	Very high	90	Very high	91 Å²	91	45.2 Å²	45.2	34%	0.343	22%	0.217	S	C	.	.	S	Bend	trans	-86.1	41.9	-173.6	-53.9	-176.8	-56.6	-139.4	-8.5	114.2	D521 H524 Y527 E570	D521-R547 WeakPolarHBondContact OD2-CG 3.31Å; H524-R547 HydrophobicContact CB-CG 4.48Å; H524-R547 WeakPolarHBondContact CD2-CD 3.15Å; H524-R547 PolarHBondContact NE2-NH1 2.9Å; Y527-R547 HydrophobicContact CE2-CB 4.1Å; Y527-R547 HydrophobicContact CE2-CG 4.07Å; R547-E570 HydrophobicContact CB-CG 4.15Å; R547-E570 IonicContact CZ-OE1 3.99Å; R547-E570 IonicContact CZ-OE2 3.15Å; R547-E570 VanDerWaalsContact CZ-OE2 3.26Å; R547-E570 IonicContact NE-OE1 3.16Å; R547-E570 IonicContact NE-OE2 2.65Å; R547-E570 PolarHBondContact NE-OE2 3.32Å; R547-E570 VanDerWaalsContact NH2-CD 3.31Å; R547-E570 IonicContact NH2-OE1 3.13Å; R547-E570 PolarHBondContact NH2-OE1 3.21Å; R547-E570 IonicContact NH2-OE2 3.09Å; R547-E570 PolarHBondContact NH2-OE2 3.4Å; R547-E570 VanDerWaalsContact O-CA 3.27Å; R547-E570 WeakPolarHBondContact O-CA 3.34Å; R547-E570 VanDerWaalsContact O-CB 3.31Å; R547-E570 WeakPolarHBondContact O-CB 3.39Å
548	F	94.6	Very high	90.9	Very high	35 Å²	35	43.7 Å²	43.7	15%	0.154	21%	0.208	C	C	.	.	S	Bend	trans	-131.1	150.9	175.5	72.9	-94.8	0	0	0	108.9	H529 M545 G546 V550 F565 A567 A568 P600	H529-F548 AromaticContact CE1-CE2 3.34Å; H529-F548 WeakPolarHBondContact CE1-CE2 3.3Å; H529-F548 AromaticContact CE1-CZ 3.35Å; H529-F548 WeakPolarHBondContact CE1-CZ 3.39Å; H529-F548 AromaticContact ND1-CE2 3.83Å; H529-F548 AromaticContact ND1-CZ 3.76Å; H529-F548 AromaticContact NE2-CD1 2.93Å; H529-F548 WeakPolarHBondContact NE2-CD1 3.47Å; H529-F548 AromaticContact NE2-CD2 3.09Å; H529-F548 WeakPolarHBondContact NE2-CD2 3.39Å; H529-F548 AromaticContact NE2-CE1 2.72Å; H529-F548 WeakPolarHBondContact NE2-CE1 3.49Å; H529-F548 AromaticContact NE2-CE2 2.89Å; H529-F548 WeakPolarHBondContact NE2-CE2 3.22Å; H529-F548 AromaticContact NE2-CG 3.11Å; H529-F548 WeakPolarHBondContact NE2-CG 3.37Å; H529-F548 AromaticContact NE2-CZ 2.7Å; H529-F548 WeakPolarHBondContact NE2-CZ 3.33Å; H529-F548 PolarHBondContact NE2-O 3.42Å; M545-F548 WeakPolarHBondContact O-CE1 3.08Å; G546-F548 PolarHBondContact O-N 3.49Å; F548-V550 HydrophobicContact CE2-CG2 3.94Å; F548-F565 HydrophobicContact CE2-CE2 4.18Å; F548-A567 HydrophobicContact CD2-CB 3.96Å; F548-A567 HydrophobicContact CE2-CB 4.24Å; F548-A568 WeakPolarHBondContact CB-O 3.26Å; F548-P600 HydrophobicContact CE1-CG 4.46Å; F548-P600 HydrophobicContact CZ-CG 3.95Å
549	E	95.1	Very high	91.7	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.9	-176.9	-155.8	177.8	131.6	0	0	111.1	R516 R528 A567 A568 F780 G782	R516-E549 IonicContact NH1-OE1 2.71Å; R528-E549 HydrophobicContact CB-CG 3.91Å; E549-A567 CarbonylContact O-C 3.57Å; E549-A567 VanDerWaalsContact O-CA 3.3Å; E549-A567 WeakPolarHBondContact O-CA 3.49Å; E549-A567 WeakPolarHBondContact O-CB 3.32Å; E549-A568 PolarHBondContact N-O 2.92Å; E549-A568 VanDerWaalsContact N-O 3.12Å; E549-A568 PolarHBondContact O-N 3.29Å; E549-F780 VanDerWaalsContact OE2-CA 3.25Å; E549-F780 WeakPolarHBondContact OE2-CA 3.31Å; E549-G782 WeakPolarHBondContact OE2-CA 3.4Å; E549-G782 PolarHBondContact OE2-N 3.22Å
550	V	96.8	Very high	92.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.1	167	177.9	0	0	0	0	107.5	R516 R528 H529 V530 F548 F565	R516-V550 WeakPolarHBondContact CD-O 3.38Å; R516-V550 HydrophobicContact CG-CG1 4.45Å; R516-V550 PolarHBondContact NH1-O 3.12Å; R528-V550 WeakPolarHBondContact O-CB 3.46Å; R528-V550 PolarHBondContact O-N 2.91Å; H529-V550 WeakPolarHBondContact CE1-CG2 3.27Å; V530-V550 HydrophobicContact CG2-CG1 4.15Å; V530-V550 HydrophobicContact CG2-CG2 4.16Å; F548-V550 HydrophobicContact CE2-CG2 3.94Å; V550-F565 HydrophobicContact CB-CD2 4.42Å; V550-F565 HydrophobicContact CG1-CB 4.08Å; V550-F565 HydrophobicContact CG1-CD2 3.94Å; V550-F565 HydrophobicContact CG1-CG 4.3Å; V550-F565 HydrophobicContact CG2-CD2 3.78Å; V550-F565 HydrophobicContact CG2-CE2 3.86Å
551	T	94.3	Very high	92.4	Very high	29 Å²	29	39.6 Å²	39.6	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-31.6	-177.1	66.7	0	0	0	0	112.4	M566 A568 F780	T551-M566 PolarHBondContact N-O 2.8Å; T551-M566 WeakPolarHBondContact OG1-CB 3.4Å; T551-M566 PolarHBondContact OG1-O 3.22Å; T551-A568 HydrophobicContact CG2-CB 4.15Å; T551-F780 HydrophobicContact CG2-CD1 3.55Å; T551-F780 HydrophobicContact CG2-CE1 3.74Å
552	E	93.3	Very high	92.7	Very high	108 Å²	108	40.4 Å²	40.4	51%	0.505	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	140.4	-176.7	-178.8	178.5	-169.1	0	0	108.9	F565 M566	E552-F565 CarbonylContact O-C 3.33Å; E552-F565 VanDerWaalsContact O-CA 3.32Å; E552-F565 WeakPolarHBondContact O-CA 3.43Å; E552-F565 VanDerWaalsContact O-CB 3.3Å; E552-F565 WeakPolarHBondContact O-CB 3.19Å; E552-M566 HydrophobicContact CB-CB 4.22Å; E552-M566 HydrophobicContact CB-CG 4.42Å; E552-M566 PolarHBondContact N-O 3.43Å; E552-M566 PolarHBondContact O-N 3.37Å
553	I	94.5	Very high	92.9	Very high	24 Å²	24	38.8 Å²	38.8	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.9	166.1	-50.5	173	0	0	0	106.1	I466 L514 R516 V530 V563	I466-I553 HydrophobicContact CD1-CB 3.94Å; I466-I553 HydrophobicContact CD1-CG2 3.64Å; L514-I553 HydrophobicContact CB-CD1 4.29Å; R516-I553 HydrophobicContact CB-CD1 4.39Å; V530-I553 HydrophobicContact CG1-CD1 4.07Å; V530-I553 HydrophobicContact CG2-CG1 4.34Å; I553-V563 HydrophobicContact CG2-CG1 3.98Å
554	V	93.1	Very high	93	Very high	33 Å²	33	38.7 Å²	38.7	20%	0.2	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-29.4	-171.6	-168.7	0	0	0	0	111.1	Y564 M566 L578 F653	V554-Y564 PolarHBondContact N-O 2.89Å; V554-M566 HydrophobicContact CG2-CG 3.62Å; V554-M566 HydrophobicContact CG2-SD 4.12Å; V554-L578 HydrophobicContact CG2-CD1 4.32Å; V554-F653 HydrophobicContact CB-CD2 4.47Å; V554-F653 HydrophobicContact CB-CE2 4.34Å; V554-F653 HydrophobicContact CG1-CD2 3.7Å; V554-F653 HydrophobicContact CG1-CE2 3.93Å
555	G	92	Very high	93.2	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	174.3	173.9	0	0	0	0	0	114.9	Y564 Y657	G555-Y564 PolarHBondContact N-O 3.11Å; G555-Y564 PolarHBondContact O-N 3.15Å; G555-Y657 WeakPolarHBondContact CA-OH 3.45Å
556	W	92.1	Very high	93.4	Very high	11 Å²	11	34 Å²	34	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.5	177.9	-172.8	2.9	0	0	0	109.2	I466 L514 F532 E558 V563 L583 L585 Y657	I466-W556 HydrophobicContact CG2-CB 4.14Å; L514-W556 HydrophobicContact CD1-CB 4.02Å; L514-W556 HydrophobicContact CD1-CD2 3.68Å; L514-W556 HydrophobicContact CD1-CE3 3.69Å; L514-W556 HydrophobicContact CD1-CG 3.85Å; L514-W556 HydrophobicContact CD1-CZ3 4.36Å; L514-W556 HydrophobicContact CD2-CZ3 4.48Å; L514-W556 HydrophobicContact CG-CD2 4.17Å; L514-W556 HydrophobicContact CG-CE3 3.72Å; L514-W556 HydrophobicContact CG-CZ3 3.93Å; F532-W556 HydrophobicContact CD2-CH2 4.39Å; F532-W556 AromaticContact CE2-CH2 3.83Å; F532-W556 HydrophobicContact CE2-CH2 3.83Å; F532-W556 HydrophobicContact CE2-CZ2 4.31Å; W556-E558 HydrophobicContact CD2-CG 3.76Å; W556-E558 HydrophobicContact CE3-CG 4.4Å; W556-E558 HydrophobicContact CG-CG 3.98Å; W556-E558 HydrophobicContact CZ2-CG 4Å; W556-E558 PolarHBondContact O-N 2.85Å; W556-V563 HydrophobicContact CG-CG2 4.16Å; W556-L583 HydrophobicContact CZ2-CD2 3.87Å; W556-L585 HydrophobicContact CZ2-CD1 4.17Å; W556-Y657 PolarHBondContact N-OH 2.89Å; W556-Y657 VanDerWaalsContact O-CE2 3.23Å; W556-Y657 WeakPolarHBondContact O-CE2 3.23Å; W556-Y657 PolarHBondContact O-OH 3.14Å; W556-Y657 VanDerWaalsContact O-OH 3.12Å
557	D	92.4	Very high	93.7	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.032	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	83.5	171.6	-176.9	-9.5	0	0	0	108.4	P559 H560 E561 I562 Y564 Y657	D557-P559 WeakPolarHBondContact OD1-CD 3.42Å; D557-H560 IonicContact OD1-CE1 2.82Å; D557-H560 IonicContact OD1-CG 2.89Å; D557-H560 PolarHBondContact OD1-N 3.45Å; D557-H560 VanDerWaalsContact OD1-N 3.11Å; D557-H560 IonicContact OD1-ND1 3.13Å; D557-H560 PolarHBondContact OD1-ND1 3.4Å; D557-H560 IonicContact OD2-CE1 3.97Å; D557-H560 IonicContact OD2-CG 3.72Å; D557-H560 IonicContact OD2-ND1 3.52Å; D557-H560 PolarHBondContact OD2-ND1 3.05Å; D557-E561 PolarHBondContact O-N 2.93Å; D557-I562 HydrophobicContact CB-CB 4.34Å; D557-I562 PolarHBondContact N-O 2.74Å; D557-I562 PolarHBondContact O-N 3.19Å; D557-Y564 HydrophobicContact CB-CE2 3.89Å; D557-Y657 HydrophobicContact CB-CD1 4.47Å; D557-Y657 HydrophobicContact CB-CD2 3.65Å; D557-Y657 HydrophobicContact CB-CE2 4.11Å; D557-Y657 HydrophobicContact CB-CG 3.86Å
558	E	86.9	Confident	93.9	Very high	23 Å²	23	28.9 Å²	28.9	11%	0.107	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-39.5	176.8	-76.3	176.1	-90	0	0	114.1	S468 V469 R470 W556 H560 E561	S468-E558 WeakPolarHBondContact CA-OE1 3.18Å; S468-E558 VanDerWaalsContact CB-OE2 3.31Å; S468-E558 WeakPolarHBondContact CB-OE2 3.43Å; S468-E558 PolarHBondContact OG-OE2 3.48Å; V469-E558 WeakPolarHBondContact CB-OE1 3.41Å; V469-E558 WeakPolarHBondContact CG2-OE1 3.47Å; V469-E558 PolarHBondContact N-OE1 3.4Å; V469-E558 PolarHBondContact N-OE2 2.86Å; R470-E558 WeakPolarHBondContact CB-OE2 3.44Å; R470-E558 PolarHBondContact N-OE2 3.26Å; W556-E558 HydrophobicContact CD2-CG 3.76Å; W556-E558 HydrophobicContact CE3-CG 4.4Å; W556-E558 HydrophobicContact CG-CG 3.98Å; W556-E558 HydrophobicContact CZ2-CG 4Å; W556-E558 PolarHBondContact O-N 2.85Å; E558-H560 VanDerWaalsContact C-N 3.35Å; E558-H560 PolarHBondContact O-N 3.02Å; E558-E561 PolarHBondContact O-N 3.35Å
559	P	87.6	Confident	93.9	Very high	113 Å²	113	27.8 Å²	27.8	73%	0.734	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-38.4	176.5	-28	36.6	0	0	0	114.7	D557	D557-P559 WeakPolarHBondContact OD1-CD 3.42Å
560	H	89.8	Confident	93.8	Very high	125 Å²	125	30.6 Å²	30.6	58%	0.579	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	4.7	179.4	-52	109.9	0	0	0	114	D557 E558 I562	D557-H560 IonicContact OD1-CE1 2.82Å; D557-H560 IonicContact OD1-CG 2.89Å; D557-H560 PolarHBondContact OD1-N 3.45Å; D557-H560 VanDerWaalsContact OD1-N 3.11Å; D557-H560 IonicContact OD1-ND1 3.13Å; D557-H560 PolarHBondContact OD1-ND1 3.4Å; D557-H560 IonicContact OD2-CE1 3.97Å; D557-H560 IonicContact OD2-CG 3.72Å; D557-H560 IonicContact OD2-ND1 3.52Å; D557-H560 PolarHBondContact OD2-ND1 3.05Å; E558-H560 VanDerWaalsContact C-N 3.35Å; E558-H560 PolarHBondContact O-N 3.02Å; H560-I562 HydrophobicContact CB-CD1 4.21Å
561	E	92.3	Very high	93.5	Very high	47 Å²	47	37.7 Å²	37.7	22%	0.22	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	50.5	-178.7	-60.9	-165.7	129.9	0	0	113	R470 D557 E558 S582 L583 K584 L585	R470-E561 IonicContact NH1-OE1 2.68Å; D557-E561 PolarHBondContact O-N 2.93Å; E558-E561 PolarHBondContact O-N 3.35Å; E561-S582 CarbonylContact O-C 3.58Å; E561-S582 WeakPolarHBondContact O-CA 3.41Å; E561-S582 PolarHBondContact O-OG 2.84Å; E561-L583 WeakPolarHBondContact CB-O 3.32Å; E561-L583 PolarHBondContact O-N 2.64Å; E561-K584 HydrophobicContact CB-CG 4.39Å; E561-K584 WeakPolarHBondContact OE1-CA 3.33Å; E561-K584 WeakPolarHBondContact OE2-CB 3.33Å; E561-K584 VanDerWaalsContact OE2-CG 3.26Å; E561-K584 WeakPolarHBondContact OE2-CG 3.33Å; E561-L585 PolarHBondContact OE1-N 3.5Å
562	I	94.4	Very high	93.5	Very high	31 Å²	31	41.7 Å²	41.7	16%	0.159	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.1	-179.5	-62.4	166.9	0	0	0	112	D557 H560 Y564 K580 I581	D557-I562 HydrophobicContact CB-CB 4.34Å; D557-I562 PolarHBondContact N-O 2.74Å; D557-I562 PolarHBondContact O-N 3.19Å; H560-I562 HydrophobicContact CB-CD1 4.21Å; I562-Y564 HydrophobicContact CB-CE2 4.26Å; I562-Y564 HydrophobicContact CG2-CD1 4.21Å; I562-Y564 HydrophobicContact CG2-CD2 4.15Å; I562-Y564 HydrophobicContact CG2-CE1 3.72Å; I562-Y564 HydrophobicContact CG2-CE2 3.65Å; I562-Y564 HydrophobicContact CG2-CG 4.4Å; I562-K580 HydrophobicContact CG2-CB 3.89Å; I562-K580 HydrophobicContact CG2-CD 4.27Å; I562-I581 WeakPolarHBondContact CA-O 3.42Å
563	V	96.1	Very high	93.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.6	168.4	-178.1	0	0	0	0	110	L514 V530 I553 W556 K580 I581 L583	L514-V563 HydrophobicContact CD1-CB 4.35Å; L514-V563 HydrophobicContact CD1-CG1 3.72Å; L514-V563 HydrophobicContact CD1-CG2 3.61Å; V530-V563 HydrophobicContact CG1-CG1 4.28Å; I553-V563 HydrophobicContact CG2-CG1 3.98Å; W556-V563 HydrophobicContact CG-CG2 4.16Å; V563-K580 VanDerWaalsContact O-CA 3.32Å; V563-K580 WeakPolarHBondContact O-CA 3.13Å; V563-I581 HydrophobicContact CB-CD1 4.34Å; V563-I581 HydrophobicContact CB-CG1 3.9Å; V563-I581 PolarHBondContact N-O 2.95Å; V563-I581 PolarHBondContact O-N 3.04Å; V563-L583 HydrophobicContact CG2-CB 4.06Å; V563-L583 HydrophobicContact CG2-CD2 3.6Å; V563-L583 HydrophobicContact CG2-CG 4.47Å
564	Y	97.3	Very high	93.7	Very high	4 Å²	4	36 Å²	36	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.9	179	-60.6	-79.1	0	0	0	111.2	V554 G555 D557 I562 Y579 K580 L603 F653 Y657 T677	V554-Y564 PolarHBondContact N-O 2.89Å; G555-Y564 PolarHBondContact N-O 3.11Å; G555-Y564 PolarHBondContact O-N 3.15Å; D557-Y564 HydrophobicContact CB-CE2 3.89Å; I562-Y564 HydrophobicContact CB-CE2 4.26Å; I562-Y564 HydrophobicContact CG2-CD1 4.21Å; I562-Y564 HydrophobicContact CG2-CD2 4.15Å; I562-Y564 HydrophobicContact CG2-CE1 3.72Å; I562-Y564 HydrophobicContact CG2-CE2 3.65Å; I562-Y564 HydrophobicContact CG2-CG 4.4Å; Y564-Y579 WeakPolarHBondContact CA-O 3.42Å; Y564-K580 HydrophobicContact CD1-CB 3.74Å; Y564-K580 HydrophobicContact CE1-CB 3.8Å; Y564-K580 HydrophobicContact CE1-CD 3.99Å; Y564-L603 HydrophobicContact CD1-CD1 4.17Å; Y564-L603 HydrophobicContact CE1-CD1 4.09Å; Y564-F653 HydrophobicContact CD1-CE1 4.1Å; Y564-F653 HydrophobicContact CD1-CE2 4.21Å; Y564-F653 AromaticContact CD1-CZ 3.45Å; Y564-F653 HydrophobicContact CD1-CZ 3.45Å; Y564-F653 VanDerWaalsContact CD1-CZ 3.45Å; Y564-F653 HydrophobicContact CD2-CE1 4.18Å; Y564-F653 HydrophobicContact CD2-CE2 4.3Å; Y564-F653 AromaticContact CD2-CZ 3.93Å; Y564-F653 HydrophobicContact CD2-CZ 3.93Å; Y564-F653 HydrophobicContact CE1-CE1 4.08Å; Y564-F653 AromaticContact CE1-CZ 3.89Å; Y564-F653 HydrophobicContact CE1-CZ 3.89Å; Y564-F653 HydrophobicContact CE2-CE1 4.18Å; Y564-F653 HydrophobicContact CE2-CZ 4.33Å; Y564-F653 HydrophobicContact CG-CE1 4.15Å; Y564-F653 AromaticContact CG-CE2 3.84Å; Y564-F653 HydrophobicContact CG-CE2 3.84Å; Y564-F653 AromaticContact CG-CZ 3.48Å; Y564-F653 HydrophobicContact CG-CZ 3.48Å; Y564-F653 VanDerWaalsContact CG-CZ 3.48Å; Y564-Y657 AromaticContact CD2-CD1 3.88Å; Y564-Y657 HydrophobicContact CD2-CD1 3.88Å; Y564-Y657 HydrophobicContact CD2-CE1 4.24Å; Y564-Y657 AromaticContact CE2-CD1 3.92Å; Y564-Y657 HydrophobicContact CE2-CD1 3.92Å; Y564-Y657 HydrophobicContact CE2-CG 4.27Å; Y564-T677 HydrophobicContact CE1-CG2 4.01Å; Y564-T677 WeakPolarHBondContact OH-CG2 3.38Å
565	F	97.4	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	152.1	-179	60.8	-89.4	0	0	0	112.4	V530 T544 F548 V550 E552 A567 Y579 I581 P600	V530-F565 HydrophobicContact CG2-CB 4.17Å; V530-F565 HydrophobicContact CG2-CD1 3.74Å; V530-F565 HydrophobicContact CG2-CD2 4.35Å; V530-F565 HydrophobicContact CG2-CE1 4.15Å; V530-F565 HydrophobicContact CG2-CG 3.84Å; T544-F565 HydrophobicContact CG2-CE1 4Å; T544-F565 HydrophobicContact CG2-CZ 3.8Å; F548-F565 HydrophobicContact CE2-CE2 4.18Å; V550-F565 HydrophobicContact CB-CD2 4.42Å; V550-F565 HydrophobicContact CG1-CB 4.08Å; V550-F565 HydrophobicContact CG1-CD2 3.94Å; V550-F565 HydrophobicContact CG1-CG 4.3Å; V550-F565 HydrophobicContact CG2-CD2 3.78Å; V550-F565 HydrophobicContact CG2-CE2 3.86Å; E552-F565 CarbonylContact O-C 3.33Å; E552-F565 VanDerWaalsContact O-CA 3.32Å; E552-F565 WeakPolarHBondContact O-CA 3.43Å; E552-F565 VanDerWaalsContact O-CB 3.3Å; E552-F565 WeakPolarHBondContact O-CB 3.19Å; F565-A567 HydrophobicContact CD2-CB 4.23Å; F565-A567 HydrophobicContact CE2-CB 4.21Å; F565-Y579 HydrophobicContact CE2-CD2 4.35Å; F565-Y579 HydrophobicContact CE2-CG 4.03Å; F565-Y579 HydrophobicContact CZ-CG 4.36Å; F565-Y579 PolarHBondContact N-O 2.66Å; F565-Y579 PolarHBondContact O-N 3.3Å; F565-I581 HydrophobicContact CE1-CG1 4.24Å; F565-I581 HydrophobicContact CE1-CG2 4.11Å; F565-P600 HydrophobicContact CZ-CB 4.03Å; F565-P600 HydrophobicContact CZ-CG 4.15Å
566	M	97.7	Very high	94.1	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142	168.7	-59.8	-55.7	-64.4	0	0	109.5	T551 E552 V554 R576 H577 L578 N649 V651	T551-M566 PolarHBondContact N-O 2.8Å; T551-M566 WeakPolarHBondContact OG1-CB 3.4Å; T551-M566 PolarHBondContact OG1-O 3.22Å; E552-M566 HydrophobicContact CB-CB 4.22Å; E552-M566 HydrophobicContact CB-CG 4.42Å; E552-M566 PolarHBondContact N-O 3.43Å; E552-M566 PolarHBondContact O-N 3.37Å; V554-M566 HydrophobicContact CG2-CG 3.62Å; V554-M566 HydrophobicContact CG2-SD 4.12Å; M566-R576 HydrophobicContact CE-CB 4.23Å; M566-H577 WeakPolarHBondContact CA-O 3.46Å; M566-H577 VanDerWaalsContact CE-C 3.49Å; M566-L578 HydrophobicContact SD-CB 3.93Å; M566-L578 HydrophobicContact SD-CD1 3.83Å; M566-N649 HydrophobicContact CE-CB 4.01Å; M566-N649 WeakPolarHBondContact CE-O 3.49Å; M566-V651 HydrophobicContact SD-CB 4.26Å; M566-V651 HydrophobicContact SD-CG2 4.15Å
567	A	97.4	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.8	173.6	0	0	0	0	0	113.2	F548 E549 F565 H577 Y579	F548-A567 HydrophobicContact CD2-CB 3.96Å; F548-A567 HydrophobicContact CE2-CB 4.24Å; E549-A567 CarbonylContact O-C 3.57Å; E549-A567 VanDerWaalsContact O-CA 3.3Å; E549-A567 WeakPolarHBondContact O-CA 3.49Å; E549-A567 WeakPolarHBondContact O-CB 3.32Å; F565-A567 HydrophobicContact CD2-CB 4.23Å; F565-A567 HydrophobicContact CE2-CB 4.21Å; A567-H577 PolarHBondContact N-O 3.35Å; A567-H577 PolarHBondContact O-N 2.88Å; A567-H577 VanDerWaalsContact O-N 3.1Å; A567-Y579 HydrophobicContact CB-CD2 3.78Å; A567-Y579 HydrophobicContact CB-CE2 3.78Å
568	A	96.9	Very high	94.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.6	168.6	0	0	0	0	0	108.8	F548 E549 T551 F780	F548-A568 WeakPolarHBondContact CB-O 3.26Å; E549-A568 PolarHBondContact N-O 2.92Å; E549-A568 VanDerWaalsContact N-O 3.12Å; E549-A568 PolarHBondContact O-N 3.29Å; T551-A568 HydrophobicContact CG2-CB 4.15Å; A568-F780 HydrophobicContact CB-CB 4.25Å
569	P	94.9	Very high	95.2	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.078	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-68	161.2	-174.3	-21.6	34.9	0	0	0	114.5	K571 R572 E575	P569-K571 PolarHBondContact O-N 2.77Å; P569-R572 CarbonylContact O-C 3.25Å; P569-R572 PolarHBondContact O-N 3.06Å; P569-R572 VanDerWaalsContact O-N 3.08Å; P569-E575 WeakPolarHBondContact CG-OE2 3.29Å
570	E	92.7	Very high	95.6	Very high	69 Å²	69	32.6 Å²	32.6	32%	0.322	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	132.1	173.2	-179.5	-178	136.1	0	0	110.7	R547 R572	R547-E570 HydrophobicContact CB-CG 4.15Å; R547-E570 IonicContact CZ-OE1 3.99Å; R547-E570 IonicContact CZ-OE2 3.15Å; R547-E570 VanDerWaalsContact CZ-OE2 3.26Å; R547-E570 IonicContact NE-OE1 3.16Å; R547-E570 IonicContact NE-OE2 2.65Å; R547-E570 PolarHBondContact NE-OE2 3.32Å; R547-E570 VanDerWaalsContact NH2-CD 3.31Å; R547-E570 IonicContact NH2-OE1 3.13Å; R547-E570 PolarHBondContact NH2-OE1 3.21Å; R547-E570 IonicContact NH2-OE2 3.09Å; R547-E570 PolarHBondContact NH2-OE2 3.4Å; R547-E570 VanDerWaalsContact O-CA 3.27Å; R547-E570 WeakPolarHBondContact O-CA 3.34Å; R547-E570 VanDerWaalsContact O-CB 3.31Å; R547-E570 WeakPolarHBondContact O-CB 3.39Å; E570-R572 PolarHBondContact O-N 2.69Å
571	K	91.1	Very high	95.9	Very high	149 Å²	149	26.7 Å²	26.7	65%	0.648	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	4.3	179.7	-68.4	156	179.8	149.1	0	115.8	P569 P573	P569-K571 PolarHBondContact O-N 2.77Å; K571-P573 VanDerWaalsContact C-CD 3.4Å
572	R	94.4	Very high	96	Very high	114 Å²	114	25.8 Å²	25.8	43%	0.43	12%	0.118	S	C	.	.			trans	-127.6	58.2	178.6	-59.7	-174.2	-64.6	146.1	3.1	110.7	P569 E570 G574 E575	P569-R572 CarbonylContact O-C 3.25Å; P569-R572 PolarHBondContact O-N 3.06Å; P569-R572 VanDerWaalsContact O-N 3.08Å; E570-R572 PolarHBondContact O-N 2.69Å; R572-G574 PolarHBondContact O-N 2.99Å; R572-G574 VanDerWaalsContact O-N 3.12Å; R572-E575 HydrophobicContact CB-CG 3.94Å; R572-E575 WeakPolarHBondContact CB-OE2 3.35Å; R572-E575 WeakPolarHBondContact CD-OE1 3.45Å; R572-E575 IonicContact CZ-OE1 2.72Å; R572-E575 IonicContact CZ-OE2 3.56Å; R572-E575 IonicContact NE-OE1 2.82Å; R572-E575 IonicContact NE-OE2 3.86Å; R572-E575 PolarHBondContact NE-OE2 2.85Å; R572-E575 IonicContact NH1-OE1 3.68Å; R572-E575 PolarHBondContact NH1-OE1 2.81Å; R572-E575 IonicContact NH1-OE2 2.67Å; R572-E575 PolarHBondContact NH1-OE2 2.88Å; R572-E575 IonicContact NH2-OE2 2.66Å; R572-E575 PolarHBondContact NH2-OE2 3.41Å; R572-E575 PolarHBondContact O-N 2.76Å; R572-E575 VanDerWaalsContact O-N 3.15Å
573	P	95.3	Very high	95.8	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.032	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.1	-170.6	32.8	-40	0	0	0	113.4	K571 E575 R576 Q718 Q748 F780 Q781	K571-P573 VanDerWaalsContact C-CD 3.4Å; P573-E575 VanDerWaalsContact C-N 3.34Å; P573-R576 PolarHBondContact O-NH1 2.8Å; P573-Q718 HydrophobicContact CG-CG 3.57Å; P573-Q748 VanDerWaalsContact C-NE2 3.33Å; P573-Q748 PolarHBondContact O-NE2 2.85Å; P573-Q748 PolarHBondContact O-OE1 2.82Å; P573-F780 HydrophobicContact CB-CB 4.2Å; P573-F780 WeakPolarHBondContact CB-O 3.33Å; P573-Q781 HydrophobicContact CB-CG 3.56Å; P573-Q781 HydrophobicContact CG-CG 3.64Å
574	G	95.6	Very high	95.4	Very high	8 Å²	8	29 Å²	29	8%	0.082	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.6	176.9	0	0	0	0	0	115	R572 V750 T751 E752	R572-G574 PolarHBondContact O-N 2.99Å; R572-G574 VanDerWaalsContact O-N 3.12Å; G574-V750 WeakPolarHBondContact CA-O 3.4Å; G574-T751 PolarHBondContact O-OG1 2.95Å; G574-E752 PolarHBondContact O-N 3.26Å
575	E	96.6	Very high	94.5	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.056	13%	0.134	C	C	.	.			trans	-92.7	158.2	178.9	-57.4	-177.8	159.2	0	0	112.1	P569 R572 P573 H577 L647 E752	P569-E575 WeakPolarHBondContact CG-OE2 3.29Å; R572-E575 HydrophobicContact CB-CG 3.94Å; R572-E575 WeakPolarHBondContact CB-OE2 3.35Å; R572-E575 WeakPolarHBondContact CD-OE1 3.45Å; R572-E575 IonicContact CZ-OE1 2.72Å; R572-E575 IonicContact CZ-OE2 3.56Å; R572-E575 IonicContact NE-OE1 2.82Å; R572-E575 IonicContact NE-OE2 3.86Å; R572-E575 PolarHBondContact NE-OE2 2.85Å; R572-E575 IonicContact NH1-OE1 3.68Å; R572-E575 PolarHBondContact NH1-OE1 2.81Å; R572-E575 IonicContact NH1-OE2 2.67Å; R572-E575 PolarHBondContact NH1-OE2 2.88Å; R572-E575 IonicContact NH2-OE2 2.66Å; R572-E575 PolarHBondContact NH2-OE2 3.41Å; R572-E575 PolarHBondContact O-N 2.76Å; R572-E575 VanDerWaalsContact O-N 3.15Å; P573-E575 VanDerWaalsContact C-N 3.34Å; E575-H577 IonicContact OE2-CD2 3.08Å; E575-H577 IonicContact OE2-NE2 3.47Å; E575-L647 CarbonylContact C-O 3.53Å; E575-L647 WeakPolarHBondContact CA-O 3.48Å; E575-L647 WeakPolarHBondContact CB-O 3.27Å; E575-L647 HydrophobicContact CG-CB 4.09Å; E575-E752 HydrophobicContact CG-CG 4.37Å
576	R	97.3	Very high	93.4	Very high	19 Å²	19	33.6 Å²	33.6	7%	0.072	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-139	118.7	171.6	-63.6	-63.9	179.8	-75.3	-1.7	109.8	M566 P573 L647 F648 N649 F780	M566-R576 HydrophobicContact CE-CB 4.23Å; P573-R576 PolarHBondContact O-NH1 2.8Å; R576-L647 PolarHBondContact N-O 3.22Å; R576-F648 HydrophobicContact CB-CD1 4.36Å; R576-F648 HydrophobicContact CB-CD2 4.37Å; R576-F648 HydrophobicContact CB-CE1 4.4Å; R576-F648 HydrophobicContact CB-CE2 4.42Å; R576-F648 HydrophobicContact CB-CG 4.36Å; R576-F648 HydrophobicContact CB-CZ 4.44Å; R576-F648 HydrophobicContact CG-CD1 4.35Å; R576-F648 HydrophobicContact CG-CD2 3.91Å; R576-F648 HydrophobicContact CG-CE1 4.01Å; R576-F648 HydrophobicContact CG-CE2 3.53Å; R576-F648 HydrophobicContact CG-CG 4.32Å; R576-F648 HydrophobicContact CG-CZ 3.6Å; R576-N649 VanDerWaalsContact O-CB 3.32Å; R576-N649 WeakPolarHBondContact O-CB 3.48Å; R576-N649 PolarHBondContact O-N 3.07Å; R576-N649 PolarHBondContact O-ND2 2.64Å; R576-F780 VanDerWaalsContact NH2-CG 3.27Å
577	H	97.8	Very high	91.9	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.2	175.4	-63.7	-86	0	0	0	111.6	M566 A567 E575 Y579 T604 C646 N649	M566-H577 WeakPolarHBondContact CA-O 3.46Å; M566-H577 VanDerWaalsContact CE-C 3.49Å; A567-H577 PolarHBondContact N-O 3.35Å; A567-H577 PolarHBondContact O-N 2.88Å; A567-H577 VanDerWaalsContact O-N 3.1Å; E575-H577 IonicContact OE2-CD2 3.08Å; E575-H577 IonicContact OE2-NE2 3.47Å; H577-Y579 HydrophobicContact CB-CE2 3.84Å; H577-Y579 WeakPolarHBondContact O-CD2 3.45Å; H577-T604 WeakPolarHBondContact CA-OG1 3.49Å; H577-T604 PolarHBondContact CE1-O 3.11Å; H577-T604 PolarHBondContact ND1-O 2.84Å; H577-C646 PolarHBondContact CE1-O 3.06Å; H577-N649 PolarHBondContact ND1-ND2 3.45Å
578	L	98	Very high	90.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.7	174	179.7	70.6	0	0	0	110	V554 M566 L603 T604 V651 F653 Y660	V554-L578 HydrophobicContact CG2-CD1 4.32Å; M566-L578 HydrophobicContact SD-CB 3.93Å; M566-L578 HydrophobicContact SD-CD1 3.83Å; L578-L603 HydrophobicContact CB-CB 4.3Å; L578-L603 HydrophobicContact CD2-CB 3.92Å; L578-L603 HydrophobicContact CD2-CD1 3.68Å; L578-L603 HydrophobicContact CD2-CG 4.38Å; L578-L603 HydrophobicContact CG-CB 4.14Å; L578-L603 HydrophobicContact CG-CD1 4.04Å; L578-L603 HydrophobicContact CG-CG 4.48Å; L578-L603 PolarHBondContact O-N 3.25Å; L578-T604 HydrophobicContact CB-CG2 3.93Å; L578-T604 PolarHBondContact N-OG1 3.24Å; L578-V651 HydrophobicContact CB-CG2 4.18Å; L578-V651 HydrophobicContact CD1-CB 4.41Å; L578-V651 HydrophobicContact CD1-CG1 4.21Å; L578-V651 HydrophobicContact CD1-CG2 4.41Å; L578-V651 HydrophobicContact CD2-CG1 4.06Å; L578-V651 HydrophobicContact CD2-CG2 4.13Å; L578-V651 HydrophobicContact CG-CG2 4.47Å; L578-F653 HydrophobicContact CD1-CE2 4.1Å; L578-F653 HydrophobicContact CD1-CZ 4.35Å; L578-F653 HydrophobicContact CD2-CE2 4.45Å; L578-F653 HydrophobicContact CD2-CZ 4.06Å; L578-Y660 HydrophobicContact CD2-CD2 4.49Å; L578-Y660 HydrophobicContact CD2-CE1 4.17Å; L578-Y660 HydrophobicContact CD2-CE2 3.96Å
579	Y	97.8	Very high	88.1	Confident	29 Å²	29	50 Å²	50	11%	0.114	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.1	175.7	-68.4	-99.5	0	0	0	111.1	Y564 F565 A567 H577 P600 T601 C602	Y564-Y579 WeakPolarHBondContact CA-O 3.42Å; F565-Y579 HydrophobicContact CE2-CD2 4.35Å; F565-Y579 HydrophobicContact CE2-CG 4.03Å; F565-Y579 HydrophobicContact CZ-CG 4.36Å; F565-Y579 PolarHBondContact N-O 2.66Å; F565-Y579 PolarHBondContact O-N 3.3Å; A567-Y579 HydrophobicContact CB-CD2 3.78Å; A567-Y579 HydrophobicContact CB-CE2 3.78Å; H577-Y579 HydrophobicContact CB-CE2 3.84Å; H577-Y579 WeakPolarHBondContact O-CD2 3.45Å; Y579-P600 HydrophobicContact CD1-CB 4.03Å; Y579-T601 CarbonylContact C-O 3.54Å; Y579-T601 VanDerWaalsContact CA-O 3.27Å; Y579-T601 WeakPolarHBondContact CA-O 3.46Å; Y579-C602 HydrophobicContact CD1-CB 3.82Å; Y579-C602 HydrophobicContact CE1-CB 3.5Å
580	K	96.7	Very high	86.2	Confident	52 Å²	52	52.9 Å²	52.9	23%	0.226	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.1	166.5	71.8	179.7	174.5	-160.1	0	112.7	I562 V563 Y564 T601 L603	I562-K580 HydrophobicContact CG2-CB 3.89Å; I562-K580 HydrophobicContact CG2-CD 4.27Å; V563-K580 VanDerWaalsContact O-CA 3.32Å; V563-K580 WeakPolarHBondContact O-CA 3.13Å; Y564-K580 HydrophobicContact CD1-CB 3.74Å; Y564-K580 HydrophobicContact CE1-CB 3.8Å; Y564-K580 HydrophobicContact CE1-CD 3.99Å; K580-T601 PolarHBondContact N-O 2.96Å; K580-T601 PolarHBondContact O-N 2.78Å; K580-L603 HydrophobicContact CB-CD1 4.23Å; K580-L603 HydrophobicContact CD-CD1 4.08Å; K580-L603 HydrophobicContact CD-CD2 3.97Å; K580-L603 HydrophobicContact CD-CG 4.48Å; K580-L603 HydrophobicContact CG-CD1 4.21Å; K580-L603 HydrophobicContact CG-CD2 4.05Å; K580-L603 HydrophobicContact CG-CG 4.31Å
581	I	96.8	Very high	84.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.6	162.5	54.2	172.1	0	0	0	109	L543 T544 I562 V563 F565 T598 P600	L543-I581 HydrophobicContact CB-CD1 3.68Å; L543-I581 HydrophobicContact CD1-CD1 4.18Å; T544-I581 HydrophobicContact CG2-CD1 4.07Å; T544-I581 HydrophobicContact CG2-CG2 4.19Å; I562-I581 WeakPolarHBondContact CA-O 3.42Å; V563-I581 HydrophobicContact CB-CD1 4.34Å; V563-I581 HydrophobicContact CB-CG1 3.9Å; V563-I581 PolarHBondContact N-O 2.95Å; V563-I581 PolarHBondContact O-N 3.04Å; F565-I581 HydrophobicContact CE1-CG1 4.24Å; F565-I581 HydrophobicContact CE1-CG2 4.11Å; I581-T598 VanDerWaalsContact CG2-O 3.3Å; I581-T598 WeakPolarHBondContact CG2-O 3.27Å; I581-P600 HydrophobicContact CG2-CB 4.26Å; I581-P600 HydrophobicContact CG2-CG 4.04Å
582	S	94.4	Very high	83.1	Confident	28 Å²	28	53.7 Å²	53.7	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.5	161.3	-174.8	0	0	0	0	109.5	E561 S597 T598	E561-S582 CarbonylContact O-C 3.58Å; E561-S582 WeakPolarHBondContact O-CA 3.41Å; E561-S582 PolarHBondContact O-OG 2.84Å; S582-S597 VanDerWaalsContact O-CA 3.24Å; S582-S597 WeakPolarHBondContact O-CA 3.42Å; S582-S597 WeakPolarHBondContact O-CB 3.34Å; S582-T598 PolarHBondContact N-OG1 2.82Å; S582-T598 PolarHBondContact O-N 2.92Å
583	L	90.7	Very high	81.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	93.7	-176.8	178.7	64.1	0	0	0	110	L514 F532 L543 W556 E561 V563 I595 T596	L514-L583 HydrophobicContact CD2-CD2 4.16Å; F532-L583 HydrophobicContact CD2-CD2 4.31Å; L543-L583 HydrophobicContact CD1-CD1 3.66Å; L543-L583 HydrophobicContact CD1-CD2 3.69Å; L543-L583 HydrophobicContact CD1-CG 4.27Å; L543-L583 HydrophobicContact CD2-CD1 3.58Å; L543-L583 HydrophobicContact CG-CD1 4.24Å; W556-L583 HydrophobicContact CZ2-CD2 3.87Å; E561-L583 WeakPolarHBondContact CB-O 3.32Å; E561-L583 PolarHBondContact O-N 2.64Å; V563-L583 HydrophobicContact CG2-CB 4.06Å; V563-L583 HydrophobicContact CG2-CD2 3.6Å; V563-L583 HydrophobicContact CG2-CG 4.47Å; L583-I595 HydrophobicContact CD1-CG2 3.46Å; L583-I595 VanDerWaalsContact CD1-CG2 3.46Å; L583-T596 WeakPolarHBondContact CA-O 3.44Å
584	K	86.7	Confident	80.6	Confident	97 Å²	97	51 Å²	51	42%	0.422	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.4	-175.8	-46	-166.2	171.4	-179.4	0	112.4	E561 I595 T596	E561-K584 HydrophobicContact CB-CG 4.39Å; E561-K584 WeakPolarHBondContact OE1-CA 3.33Å; E561-K584 WeakPolarHBondContact OE2-CB 3.33Å; E561-K584 VanDerWaalsContact OE2-CG 3.26Å; E561-K584 WeakPolarHBondContact OE2-CG 3.33Å; K584-I595 WeakPolarHBondContact O-CA 3.26Å; K584-T596 PolarHBondContact N-O 3.07Å; K584-T596 PolarHBondContact O-N 2.97Å
585	L	78.8	Confident	79.9	Confident	17 Å²	17	50.6 Å²	50.6	9%	0.089	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	82.7	-175.6	-78.6	160.6	0	0	0	111	F532 W556 E561 V587 I595	F532-L585 HydrophobicContact CE2-CD2 4.25Å; F532-L585 HydrophobicContact CZ-CD2 4.15Å; W556-L585 HydrophobicContact CZ2-CD1 4.17Å; E561-L585 PolarHBondContact OE1-N 3.5Å; L585-V587 PolarHBondContact O-N 2.93Å; L585-I595 HydrophobicContact CD2-CD1 3.93Å; L585-I595 HydrophobicContact CD2-CG1 3.79Å
586	N	74.6	Confident	79.3	Confident	84 Å²	84	51.2 Å²	51.2	45%	0.449	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	105.5	-175.8	-67.4	-31	0	0	0	111.1	T593 Y594	N586-T593 CarbonylContact O-C 3.56Å; N586-T593 WeakPolarHBondContact O-CA 3.28Å; N586-Y594 PolarHBondContact N-O 2.97Å; N586-Y594 PolarHBondContact O-N 2.8Å
587	V	64.9	Low	78.9	Confident	91 Å²	91	50.5 Å²	50.5	55%	0.552	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	125.6	170.6	-163.5	0	0	0	0	109.3	L585 T593	L585-V587 PolarHBondContact O-N 2.93Å; V587-T593 HydrophobicContact CG2-CG2 3.88Å
588	T	60.3	Low	78.6	Confident	51 Å²	51	51.6 Å²	51.6	31%	0.313	26%	0.263	S	S	.	.			trans	-89.4	162.9	173.2	53.1	0	0	0	0	112.2	S590 N591 R592 Y594	T588-S590 PolarHBondContact O-N 2.71Å; T588-S590 PolarHBondContact OG1-OG 2.79Å; T588-N591 PolarHBondContact O-N 2.8Å; T588-R592 PolarHBondContact N-O 3.35Å; T588-R592 WeakPolarHBondContact OG1-CB 3.39Å; T588-R592 PolarHBondContact OG1-N 2.78Å; T588-R592 PolarHBondContact OG1-O 3.49Å; T588-Y594 HydrophobicContact CG2-CD2 3.63Å; T588-Y594 HydrophobicContact CG2-CE2 3.55Å
589	E	53.8	Low	78.3	Confident	208 Å²	208	54 Å²	54	97%	0.972	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.9	176.1	-58.7	-177	160.6	0	0	113.2	N591	E589-N591 VanDerWaalsContact C-N 3.27Å; E589-N591 PolarHBondContact O-N 3.4Å
590	S	55.3	Low	78.2	Confident	73 Å²	73	54.8 Å²	54.8	51%	0.51	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	15.9	174.1	68.2	0	0	0	0	114.6	T588 R592	T588-S590 PolarHBondContact O-N 2.71Å; T588-S590 PolarHBondContact OG1-OG 2.79Å; S590-R592 PolarHBondContact O-N 2.92Å; S590-R592 VanDerWaalsContact O-N 3.12Å; S590-R592 WeakPolarHBondContact OG-CD 3.45Å
591	N	58.4	Low	78.2	Confident	117 Å²	117	55.8 Å²	55.8	63%	0.626	30%	0.298	S	S	*	.	S	Bend	trans	58.4	15.2	-174.8	-83.3	-53.5	0	0	0	115.9	N509 T588 E589	N509-N591 PolarHBondContact ND2-O 2.85Å; N509-N591 VanDerWaalsContact ND2-O 3.13Å; N509-N591 PolarHBondContact OD1-O 3.22Å; T588-N591 PolarHBondContact O-N 2.8Å; E589-N591 VanDerWaalsContact C-N 3.27Å; E589-N591 PolarHBondContact O-N 3.4Å
592	R	60.1	Low	78.1	Confident	118 Å²	118	57.6 Å²	57.6	45%	0.445	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.6	172.4	-68.8	164.9	139	138.4	-13.1	109.6	E506 T588 S590 Y594	E506-R592 VanDerWaalsContact CD-NE 3.29Å; E506-R592 HydrophobicContact CG-CB 4.4Å; E506-R592 IonicContact OE1-CZ 3.22Å; E506-R592 VanDerWaalsContact OE1-CZ 3.28Å; E506-R592 IonicContact OE1-NE 2.73Å; E506-R592 PolarHBondContact OE1-NE 3.06Å; E506-R592 IonicContact OE1-NH2 3.71Å; E506-R592 PolarHBondContact OE1-NH2 3.36Å; E506-R592 IonicContact OE2-NE 2.62Å; T588-R592 PolarHBondContact N-O 3.35Å; T588-R592 WeakPolarHBondContact OG1-CB 3.39Å; T588-R592 PolarHBondContact OG1-N 2.78Å; T588-R592 PolarHBondContact OG1-O 3.49Å; S590-R592 PolarHBondContact O-N 2.92Å; S590-R592 VanDerWaalsContact O-N 3.12Å; S590-R592 WeakPolarHBondContact OG-CD 3.45Å; R592-Y594 HydrophobicContact CB-CE2 3.8Å
593	T	66.1	Low	78.2	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.9	171.7	11	0	0	0	0	110.1	E506 I507 N509 N586 V587	E506-T593 CarbonylContact C-O 3.57Å; E506-T593 WeakPolarHBondContact CA-O 3.28Å; I507-T593 PolarHBondContact N-O 3.43Å; I507-T593 PolarHBondContact O-N 3.05Å; I507-T593 PolarHBondContact O-OG1 3.11Å; I507-T593 VanDerWaalsContact O-OG1 3.1Å; N509-T593 VanDerWaalsContact OD1-CG2 3.29Å; N509-T593 WeakPolarHBondContact OD1-CG2 3.25Å; N509-T593 PolarHBondContact OD1-OG1 2.83Å; N586-T593 CarbonylContact O-C 3.56Å; N586-T593 WeakPolarHBondContact O-CA 3.28Å; V587-T593 HydrophobicContact CG2-CG2 3.88Å
594	Y	71.9	Confident	78.4	Confident	59 Å²	59	56.9 Å²	56.9	23%	0.231	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.1	170.4	-66.7	-91	0	0	0	109.6	T504 H505 E506 N586 T588 R592	T504-Y594 HydrophobicContact CG2-CD1 4.29Å; H505-Y594 CarbonylContact O-C 3.56Å; H505-Y594 VanDerWaalsContact O-CA 3.29Å; H505-Y594 WeakPolarHBondContact O-CA 3.23Å; E506-Y594 HydrophobicContact CB-CD1 4.05Å; E506-Y594 HydrophobicContact CB-CE1 3.57Å; E506-Y594 HydrophobicContact CG-CE1 3.79Å; E506-Y594 PolarHBondContact OE2-OH 3.22Å; N586-Y594 PolarHBondContact N-O 2.97Å; N586-Y594 PolarHBondContact O-N 2.8Å; T588-Y594 HydrophobicContact CG2-CD2 3.63Å; T588-Y594 HydrophobicContact CG2-CE2 3.55Å; R592-Y594 HydrophobicContact CB-CE2 3.8Å
595	I	80.2	Confident	78.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.9	173.2	-64.2	-160.7	0	0	0	109.4	T504 H505 I507 F532 L543 L583 K584 L585	T504-I595 VanDerWaalsContact CA-O 3.26Å; T504-I595 WeakPolarHBondContact CA-O 3.41Å; H505-I595 PolarHBondContact N-O 2.93Å; H505-I595 PolarHBondContact O-N 2.87Å; I507-I595 HydrophobicContact CD1-CD1 3.43Å; I507-I595 VanDerWaalsContact CD1-CD1 3.43Å; I507-I595 HydrophobicContact CD1-CG1 3.78Å; F532-I595 HydrophobicContact CB-CD1 4.28Å; F532-I595 HydrophobicContact CD1-CD1 3.36Å; F532-I595 HydrophobicContact CD2-CD1 3.54Å; F532-I595 HydrophobicContact CE1-CD1 3.35Å; F532-I595 HydrophobicContact CE2-CD1 3.48Å; F532-I595 VanDerWaalsContact CE2-CD1 3.48Å; F532-I595 HydrophobicContact CG-CD1 3.46Å; F532-I595 VanDerWaalsContact CG-CD1 3.46Å; F532-I595 HydrophobicContact CZ-CD1 3.37Å; L543-I595 HydrophobicContact CD2-CG2 3.95Å; L583-I595 HydrophobicContact CD1-CG2 3.46Å; L583-I595 VanDerWaalsContact CD1-CG2 3.46Å; K584-I595 WeakPolarHBondContact O-CA 3.26Å; L585-I595 HydrophobicContact CD2-CD1 3.93Å; L585-I595 HydrophobicContact CD2-CG1 3.79Å
596	T	83.7	Confident	79.1	Confident	25 Å²	25	58.1 Å²	58.1	15%	0.153	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.8	164.3	48.2	0	0	0	0	110.9	T503 T504 L583 K584	T503-T596 VanDerWaalsContact O-CA 3.24Å; T503-T596 WeakPolarHBondContact O-CA 3.34Å; T503-T596 WeakPolarHBondContact O-CG2 3.07Å; T504-T596 HydrophobicContact CG2-CG2 4.03Å; L583-T596 WeakPolarHBondContact CA-O 3.44Å; K584-T596 PolarHBondContact N-O 3.07Å; K584-T596 PolarHBondContact O-N 2.97Å
597	S	89.6	Confident	79.5	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.028	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.2	170.4	69.3	0	0	0	0	112.7	H502 T503 L543 S582	H502-S597 WeakPolarHBondContact CA-O 3.29Å; T503-S597 PolarHBondContact N-O 2.88Å; T503-S597 PolarHBondContact OG1-OG 2.98Å; L543-S597 PolarHBondContact O-OG 3.34Å; S582-S597 VanDerWaalsContact O-CA 3.24Å; S582-S597 WeakPolarHBondContact O-CA 3.42Å; S582-S597 WeakPolarHBondContact O-CB 3.34Å
598	T	92.3	Very high	80.3	Confident	27 Å²	27	54.1 Å²	54.1	17%	0.166	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	164.6	174.1	61.1	0	0	0	0	111.4	I581 S582	I581-T598 VanDerWaalsContact CG2-O 3.3Å; I581-T598 WeakPolarHBondContact CG2-O 3.27Å; S582-T598 PolarHBondContact N-OG1 2.82Å; S582-T598 PolarHBondContact O-N 2.92Å
599	S	91.6	Very high	81	Confident	51 Å²	51	56.5 Å²	56.5	36%	0.357	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-54.1	143.7	162	54.1	0	0	0	0	112.2	T601	S599-T601 PolarHBondContact O-N 2.82Å
600	P	95.5	Very high	82.2	Confident	44 Å²	44	50.9 Å²	50.9	29%	0.286	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-57.4	132.2	173.5	-27.4	36.1	0	0	0	113.8	T544 F548 F565 Y579 I581	T544-P600 HydrophobicContact CG2-CG 4.03Å; F548-P600 HydrophobicContact CE1-CG 4.46Å; F548-P600 HydrophobicContact CZ-CG 3.95Å; F565-P600 HydrophobicContact CZ-CB 4.03Å; F565-P600 HydrophobicContact CZ-CG 4.15Å; Y579-P600 HydrophobicContact CD1-CB 4.03Å; I581-P600 HydrophobicContact CG2-CB 4.26Å; I581-P600 HydrophobicContact CG2-CG 4.04Å
601	T	95.9	Very high	83.5	Confident	73 Å²	73	47.9 Å²	47.9	45%	0.448	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.7	171.5	-58.2	0	0	0	0	109.3	Y579 K580 S599	Y579-T601 CarbonylContact C-O 3.54Å; Y579-T601 VanDerWaalsContact CA-O 3.27Å; Y579-T601 WeakPolarHBondContact CA-O 3.46Å; K580-T601 PolarHBondContact N-O 2.96Å; K580-T601 PolarHBondContact O-N 2.78Å; S599-T601 PolarHBondContact O-N 2.82Å
602	C	96.1	Very high	84.7	Confident	39 Å²	39	43.3 Å²	43.3	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.7	177	-165.9	0	0	0	0	111.4	Y579 C605	Y579-C602 HydrophobicContact CD1-CB 3.82Å; Y579-C602 HydrophobicContact CE1-CB 3.5Å; C602-C605 HydrophobicContact CB-CB 3.75Å; C602-C605 WeakPolarHBondContact CB-SG 3.33Å; C602-C605 WeakPolarHBondContact SG-CB 3.45Å; C602-C605 PolarHBondContact SG-N 3.13Å; C602-C605 CovalentContact SG-SG 2.03Å; C602-C605 PolarHBondContact SG-SG 2.58Å
603	L	95.6	Very high	85.8	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	25%	0.249	C	C	.	.	S	Bend	trans	-108.8	-28.5	-177.8	-62.8	-172.7	0	0	0	113.4	Y564 L578 K580 N680	Y564-L603 HydrophobicContact CD1-CD1 4.17Å; Y564-L603 HydrophobicContact CE1-CD1 4.09Å; L578-L603 HydrophobicContact CB-CB 4.3Å; L578-L603 HydrophobicContact CD2-CB 3.92Å; L578-L603 HydrophobicContact CD2-CD1 3.68Å; L578-L603 HydrophobicContact CD2-CG 4.38Å; L578-L603 HydrophobicContact CG-CB 4.14Å; L578-L603 HydrophobicContact CG-CD1 4.04Å; L578-L603 HydrophobicContact CG-CG 4.48Å; L578-L603 PolarHBondContact O-N 3.25Å; K580-L603 HydrophobicContact CB-CD1 4.23Å; K580-L603 HydrophobicContact CD-CD1 4.08Å; K580-L603 HydrophobicContact CD-CD2 3.97Å; K580-L603 HydrophobicContact CD-CG 4.48Å; K580-L603 HydrophobicContact CG-CD1 4.21Å; K580-L603 HydrophobicContact CG-CD2 4.05Å; K580-L603 HydrophobicContact CG-CG 4.31Å; L603-N680 WeakPolarHBondContact CB-OD1 3.49Å; L603-N680 WeakPolarHBondContact CD2-OD1 3.2Å; L603-N680 PolarHBondContact O-ND2 3.01Å
604	T	95.4	Very high	86.4	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.018	26%	0.256	C	S	.	.	S	Bend	trans	-115.9	18.4	179.4	66.4	0	0	0	0	113.6	H577 L578 N649 Q662	H577-T604 WeakPolarHBondContact CA-OG1 3.49Å; H577-T604 PolarHBondContact CE1-O 3.11Å; H577-T604 PolarHBondContact ND1-O 2.84Å; L578-T604 HydrophobicContact CB-CG2 3.93Å; L578-T604 PolarHBondContact N-OG1 3.24Å; T604-N649 PolarHBondContact OG1-ND2 2.7Å; T604-Q662 HydrophobicContact CG2-CG 4.27Å
605	C	92.1	Very high	86	Confident	62 Å²	62	49.6 Å²	49.6	42%	0.419	27%	0.273	S	S	.	.	S	Bend	trans	-79.5	-25.1	173.2	-68.1	0	0	0	0	112.5	C602	C602-C605 HydrophobicContact CB-CB 3.75Å; C602-C605 WeakPolarHBondContact CB-SG 3.33Å; C602-C605 WeakPolarHBondContact SG-CB 3.45Å; C602-C605 PolarHBondContact SG-N 3.13Å; C602-C605 CovalentContact SG-SG 2.03Å; C602-C605 PolarHBondContact SG-SG 2.58Å
606	D	86.9	Confident	84.9	Confident	78 Å²	78	58.8 Å²	58.8	42%	0.417	31%	0.307	S	S	.	.			trans	-95.1	137.4	169.5	-170.9	-0.5	0	0	0	109.5	T608 T611	D606-T608 VanDerWaalsContact OD1-CB 3.29Å; D606-T608 WeakPolarHBondContact OD1-CB 3.36Å; D606-T608 VanDerWaalsContact OD1-CG2 3.25Å; D606-T608 WeakPolarHBondContact OD1-CG2 3.28Å; D606-T608 PolarHBondContact OD1-N 2.89Å; D606-T608 PolarHBondContact OD1-OG1 2.84Å; D606-T608 PolarHBondContact OD2-OG1 3.37Å; D606-T611 HydrophobicContact CB-CG2 4.04Å
607	N	84.6	Confident	83.6	Confident	23 Å²	23	58.5 Å²	58.5	12%	0.123	31%	0.307	C	S	.	.			trans	-137.8	18.8	177	-164	58.9	0	0	0	112	Y612 P643 K644 C646 K682	N607-Y612 PolarHBondContact OD1-OH 2.99Å; N607-P643 PolarHBondContact ND2-O 2.9Å; N607-K644 PolarHBondContact ND2-O 2.88Å; N607-C646 HydrophobicContact CB-CB 4.24Å; N607-K682 PolarHBondContact OD1-NZ 2.54Å
608	T	81.3	Confident	82.2	Confident	69 Å²	69	64.3 Å²	64.3	42%	0.423	33%	0.328	S	S	.	.	S	Bend	trans	-69.3	164.8	176.7	57.5	0	0	0	0	112.5	D606 S610 T611 Y612	D606-T608 VanDerWaalsContact OD1-CB 3.29Å; D606-T608 WeakPolarHBondContact OD1-CB 3.36Å; D606-T608 VanDerWaalsContact OD1-CG2 3.25Å; D606-T608 WeakPolarHBondContact OD1-CG2 3.28Å; D606-T608 PolarHBondContact OD1-N 2.89Å; D606-T608 PolarHBondContact OD1-OG1 2.84Å; D606-T608 PolarHBondContact OD2-OG1 3.37Å; T608-S610 PolarHBondContact O-N 3.13Å; T608-S610 VanDerWaalsContact O-N 3.1Å; T608-S610 PolarHBondContact OG1-OG 3.45Å; T608-T611 WeakPolarHBondContact O-CB 3.28Å; T608-T611 PolarHBondContact O-N 2.91Å; T608-T611 PolarHBondContact O-OG1 2.73Å; T608-Y612 WeakPolarHBondContact O-CD2 3.45Å
609	E	75.3	Confident	80.6	Confident	101 Å²	101	65.1 Å²	65.1	47%	0.472	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-52.9	-31.2	176.8	-64.9	-176	172.9	0	0	113	T611 Y612 I619 Q621	E609-T611 PolarHBondContact O-N 2.79Å; E609-T611 VanDerWaalsContact O-N 3.09Å; E609-Y612 PolarHBondContact O-N 3.12Å; E609-I619 HydrophobicContact CG-CD1 4.43Å; E609-Q621 VanDerWaalsContact CD-NE2 3.32Å; E609-Q621 WeakPolarHBondContact OE1-CG 3.33Å; E609-Q621 PolarHBondContact OE1-NE2 2.72Å; E609-Q621 PolarHBondContact OE2-NE2 3.41Å
610	S	78.1	Confident	79	Confident	89 Å²	89	64.8 Å²	64.8	62%	0.622	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-57.3	-21.2	174.5	5.8	0	0	0	0	114.6	T608 Y612	T608-S610 PolarHBondContact O-N 3.13Å; T608-S610 VanDerWaalsContact O-N 3.1Å; T608-S610 PolarHBondContact OG1-OG 3.45Å; S610-Y612 VanDerWaalsContact C-N 3.31Å
611	T	82.4	Confident	77.1	Confident	11 Å²	11	67.5 Å²	67.5	7%	0.067	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-86.1	4	177.6	67	0	0	0	0	113.8	D606 T608 E609 K682	D606-T611 HydrophobicContact CB-CG2 4.04Å; T608-T611 WeakPolarHBondContact O-CB 3.28Å; T608-T611 PolarHBondContact O-N 2.91Å; T608-T611 PolarHBondContact O-OG1 2.73Å; E609-T611 PolarHBondContact O-N 2.79Å; E609-T611 VanDerWaalsContact O-N 3.09Å; T611-K682 WeakPolarHBondContact O-CB 3.46Å; T611-K682 WeakPolarHBondContact O-CG 3.42Å; T611-K682 PolarHBondContact O-N 3.29Å; T611-K682 PolarHBondContact OG1-NZ 3.1Å
612	Y	83.2	Confident	74.6	Confident	21 Å²	21	75.8 Å²	75.8	8%	0.082	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-119	120.7	-176.5	-65.8	-97.1	0	0	0	111.4	N607 T608 E609 S610 L614 I619 I642 Y673 K682	N607-Y612 PolarHBondContact OD1-OH 2.99Å; T608-Y612 WeakPolarHBondContact O-CD2 3.45Å; E609-Y612 PolarHBondContact O-N 3.12Å; S610-Y612 VanDerWaalsContact C-N 3.31Å; Y612-L614 HydrophobicContact CD1-CD1 4.4Å; Y612-L614 HydrophobicContact CD1-CD2 4.36Å; Y612-L614 HydrophobicContact CD1-CG 4.39Å; Y612-I619 HydrophobicContact CD1-CD1 4.24Å; Y612-I619 HydrophobicContact CD2-CD1 4.01Å; Y612-I619 HydrophobicContact CG-CD1 3.73Å; Y612-I642 HydrophobicContact CD1-CD1 4.05Å; Y612-I642 HydrophobicContact CE1-CD1 3.74Å; Y612-I642 HydrophobicContact CE1-CG2 4.1Å; Y612-I642 HydrophobicContact CE2-CG2 4.34Å; Y612-I642 WeakPolarHBondContact OH-CG2 3.37Å; Y612-Y673 HydrophobicContact CE1-CD1 4.26Å; Y612-Y673 AromaticContact CE1-CE1 3.95Å; Y612-Y673 HydrophobicContact CE1-CE1 3.95Å; Y612-K682 HydrophobicContact CD1-CB 3.9Å; Y612-K682 HydrophobicContact CD1-CD 3.7Å; Y612-K682 HydrophobicContact CD1-CG 4.47Å; Y612-K682 HydrophobicContact CD2-CD 4.2Å; Y612-K682 HydrophobicContact CE1-CB 4.22Å; Y612-K682 HydrophobicContact CE1-CD 3.31Å; Y612-K682 HydrophobicContact CE1-CG 4.38Å; Y612-K682 HydrophobicContact CE2-CD 3.85Å; Y612-K682 HydrophobicContact CG-CB 4.42Å; Y612-K682 HydrophobicContact CG-CD 4.12Å; Y612-K682 VanDerWaalsContact CZ-NZ 3.3Å; Y612-K682 PolarHBondContact OH-NZ 3.37Å; Y612-K682 VanDerWaalsContact OH-NZ 3.07Å
613	R	83.1	Confident	72.3	Confident	157 Å²	157	77.4 Å²	77.4	59%	0.592	38%	0.384	S	S	*	.			trans	-127	60.4	170.9	-60	-166.1	-165.5	150.3	7.1	109.5	D681 K682	R613-D681 HydrophobicContact CB-CB 4.12Å; R613-D681 VanDerWaalsContact CD-CG 3.42Å; R613-D681 WeakPolarHBondContact CD-OD2 3.42Å; R613-D681 HydrophobicContact CG-CB 4.04Å; R613-D681 IonicContact CZ-OD1 3.98Å; R613-D681 IonicContact CZ-OD2 3.68Å; R613-D681 VanDerWaalsContact NE-CG 3.32Å; R613-D681 IonicContact NE-OD1 3.57Å; R613-D681 PolarHBondContact NE-OD1 2.62Å; R613-D681 IonicContact NE-OD2 2.74Å; R613-D681 PolarHBondContact NE-OD2 3.25Å; R613-D681 VanDerWaalsContact NE-OD2 3.14Å; R613-D681 IonicContact NH1-OD1 2.83Å; R613-D681 IonicContact NH1-OD2 3.69Å; R613-D681 PolarHBondContact NH1-OD2 2.91Å; R613-D681 IonicContact NH2-OD1 3.59Å; R613-D681 PolarHBondContact NH2-OD1 2.84Å; R613-D681 IonicContact NH2-OD2 3.69Å; R613-K682 CarbonylContact C-O 3.57Å; R613-K682 PolarHBondContact N-O 2.84Å
614	L	79.3	Confident	70.1	Confident	29 Å²	29	79.8 Å²	79.8	15%	0.152	40%	0.397	C	S	.	.			trans	-67	129.7	-174.1	-59.9	177.9	0	0	0	111.6	Y612 A617 I619 Y640 V685	Y612-L614 HydrophobicContact CD1-CD1 4.4Å; Y612-L614 HydrophobicContact CD1-CD2 4.36Å; Y612-L614 HydrophobicContact CD1-CG 4.39Å; L614-A617 HydrophobicContact CB-CB 4.14Å; L614-A617 HydrophobicContact CD1-CB 4.19Å; L614-I619 HydrophobicContact CD1-CG1 4.44Å; L614-Y640 HydrophobicContact CD1-CD2 4.49Å; L614-V685 HydrophobicContact CD1-CG2 3.96Å; L614-V685 HydrophobicContact CD2-CG2 3.74Å
615	H	63.9	Low	68.1	Low	125 Å²	125	86.9 Å²	86.9	58%	0.579	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	122.2	168.8	-74	-78	0	0	0	110.8	L121 A617 I683	L121-H615 HydrophobicContact CD1-CB 3.95Å; H615-A617 PolarHBondContact O-N 3.22Å; H615-I683 PolarHBondContact N-O 3.09Å
616	R	57.1	Low	66.1	Low	193 Å²	193	92.5 Å²	92.5	73%	0.728	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	42.5	177.6	-51.6	-172.8	-166.2	175.5	6.5	115	D637 C638	R616-D637 VanDerWaalsContact C-OD1 3.23Å; R616-C638 PolarHBondContact O-N 2.65Å
617	A	56.8	Low	64.7	Low	18 Å²	18	94.2 Å²	94.2	15%	0.149	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.4	171.4	0	0	0	0	0	111.5	L614 H615 D637 C638 Y640	L614-A617 HydrophobicContact CB-CB 4.14Å; L614-A617 HydrophobicContact CD1-CB 4.19Å; H615-A617 PolarHBondContact O-N 3.22Å; A617-D637 PolarHBondContact N-OD1 3.43Å; A617-C638 CarbonylContact C-O 3.58Å; A617-C638 VanDerWaalsContact CA-O 3.28Å; A617-C638 WeakPolarHBondContact CA-O 3.28Å; A617-C638 HydrophobicContact CB-CB 4.21Å; A617-C638 WeakPolarHBondContact CB-O 3.42Å; A617-Y640 HydrophobicContact CB-CD2 3.94Å; A617-Y640 HydrophobicContact CB-CE2 3.63Å
618	R	60.2	Low	63.3	Low	126 Å²	126	96.8 Å²	96.8	48%	0.475	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.2	174.8	-59.1	-170.5	-168.2	-139.2	4.2	111.7	D637 C638 Y640	R618-D637 IonicContact CZ-OD2 3.74Å; R618-D637 IonicContact NE-OD2 3.56Å; R618-D637 PolarHBondContact NE-OD2 2.99Å; R618-D637 IonicContact NH2-OD2 2.71Å; R618-C638 PolarHBondContact N-O 3.06Å; R618-Y640 PolarHBondContact O-N 2.63Å; R618-Y640 VanDerWaalsContact O-N 3.13Å
619	I	58.9	Low	62.1	Low	44 Å²	44	94.4 Å²	94.4	23%	0.226	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.4	178.4	-53.2	-179.2	0	0	0	108.9	E609 Y612 L614 Q621 I642	E609-I619 HydrophobicContact CG-CD1 4.43Å; Y612-I619 HydrophobicContact CD1-CD1 4.24Å; Y612-I619 HydrophobicContact CD2-CD1 4.01Å; Y612-I619 HydrophobicContact CG-CD1 3.73Å; L614-I619 HydrophobicContact CD1-CG1 4.44Å; I619-Q621 PolarHBondContact O-N 2.92Å; I619-I642 HydrophobicContact CB-CD1 4.42Å; I619-I642 HydrophobicContact CD1-CD1 4Å; I619-I642 HydrophobicContact CG1-CD1 3.79Å; I619-I642 HydrophobicContact CG2-CB 4.47Å; I619-I642 HydrophobicContact CG2-CD1 4Å; I619-I642 HydrophobicContact CG2-CG1 4.34Å
620	S	57.9	Low	61.3	Low	45 Å²	45	93.2 Å²	93.2	32%	0.315	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-75.3	118.7	174.5	-169.1	0	0	0	0	111.6	Y640	S620-Y640 WeakPolarHBondContact CB-O 3.28Å; S620-Y640 PolarHBondContact N-O 2.94Å
621	Q	55.5	Low	60.2	Low	100 Å²	100	93 Å²	93	47%	0.467	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-91.8	150.3	177.8	-71.3	-163	-25.5	0	0	112.9	E609 I619 G623	E609-Q621 VanDerWaalsContact CD-NE2 3.32Å; E609-Q621 WeakPolarHBondContact OE1-CG 3.33Å; E609-Q621 PolarHBondContact OE1-NE2 2.72Å; E609-Q621 PolarHBondContact OE2-NE2 3.41Å; I619-Q621 PolarHBondContact O-N 2.92Å; Q621-G623 PolarHBondContact O-N 3.32Å
622	R	42.3	Very low	59	Low	248 Å²	248	98.9 Å²	98.9	94%	0.936	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	88.4	-173.6	-171.7	-170	-176.6	178.8	1	111.8
623	G	47.9	Very low	57.6	Low	73 Å²	73	100.2 Å²	100.2	75%	0.753	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	142.1	-12.1	168.9	0	0	0	0	0	115	Q621	Q621-G623 PolarHBondContact O-N 3.32Å
624	D	49.8	Very low	56.4	Low	61 Å²	61	99.4 Å²	99.4	33%	0.326	48%	0.475	S	S	.	.			trans	-60.2	136.7	172.9	-80	-59	0	0	0	111	I629 R632	D624-I629 HydrophobicContact CB-CD1 3.77Å; D624-I629 HydrophobicContact CB-CG1 3.58Å; D624-R632 IonicContact OD1-CZ 3.67Å; D624-R632 IonicContact OD1-NH1 3.96Å; D624-R632 IonicContact OD1-NH2 3.65Å; D624-R632 PolarHBondContact OD1-NH2 3.5Å
625	R	52.5	Low	55	Low	151 Å²	151	104.6 Å²	104.6	57%	0.57	51%	0.511	S	S	*	.			trans	-74.8	142.6	167.1	-60.2	169.3	60.6	151.5	-4.5	108.6	E627 D628 I629	R625-E627 IonicContact CZ-OE2 2.71Å; R625-E627 IonicContact NE-OE2 3.25Å; R625-E627 PolarHBondContact NE-OE2 3.5Å; R625-E627 VanDerWaalsContact NH2-CD 3.31Å; R625-E627 IonicContact NH2-OE1 2.74Å; R625-E627 PolarHBondContact NH2-OE1 2.88Å; R625-E627 VanDerWaalsContact NH2-OE1 3.14Å; R625-E627 IonicContact NH2-OE2 3.7Å; R625-E627 PolarHBondContact NH2-OE2 3.27Å; R625-E627 PolarHBondContact O-N 3.01Å; R625-E627 VanDerWaalsContact O-N 3.09Å; R625-D628 WeakPolarHBondContact CB-OD2 3.5Å; R625-D628 PolarHBondContact O-N 3.48Å; R625-I629 PolarHBondContact O-N 3.32Å; R625-I629 VanDerWaalsContact O-N 3.13Å
626	W	51.9	Low	54.6	Low	181 Å²	181	104.4 Å²	104.4	69%	0.686	51%	0.514	S	S	*	.	H	α-helix	trans	-49.1	-39.4	175.4	178.7	-104	0	0	0	112.9	D628 I629 V630 L639	W626-D628 PolarHBondContact O-N 2.82Å; W626-I629 PolarHBondContact O-N 3.41Å; W626-V630 HydrophobicContact CD2-CG2 4.17Å; W626-V630 HydrophobicContact CG-CG2 4.5Å; W626-V630 HydrophobicContact CZ2-CG2 3.97Å; W626-V630 WeakPolarHBondContact O-CG2 3.38Å; W626-V630 PolarHBondContact O-N 2.77Å; W626-L639 HydrophobicContact CZ3-CD2 4.13Å
627	E	56.1	Low	54.5	Low	113 Å²	113	96.8 Å²	96.8	53%	0.528	49%	0.488	S	S	.	.	H	α-helix	trans	-60	-43.8	176.5	-60.2	143	129.2	0	0	112.3	R625 I629 A631	R625-E627 IonicContact CZ-OE2 2.71Å; R625-E627 IonicContact NE-OE2 3.25Å; R625-E627 PolarHBondContact NE-OE2 3.5Å; R625-E627 VanDerWaalsContact NH2-CD 3.31Å; R625-E627 IonicContact NH2-OE1 2.74Å; R625-E627 PolarHBondContact NH2-OE1 2.88Å; R625-E627 VanDerWaalsContact NH2-OE1 3.14Å; R625-E627 IonicContact NH2-OE2 3.7Å; R625-E627 PolarHBondContact NH2-OE2 3.27Å; R625-E627 PolarHBondContact O-N 3.01Å; R625-E627 VanDerWaalsContact O-N 3.09Å; E627-I629 VanDerWaalsContact C-N 3.35Å; E627-A631 WeakPolarHBondContact O-CB 3.31Å; E627-A631 PolarHBondContact O-N 3.36Å; E627-A631 VanDerWaalsContact O-N 3.09Å
628	D	56.8	Low	54.8	Low	78 Å²	78	98.7 Å²	98.7	42%	0.417	50%	0.5	S	S	.	.	H	α-helix	trans	-74.3	-25.2	-179.3	-61	-46.9	0	0	0	112.2	R625 W626 R632	R625-D628 WeakPolarHBondContact CB-OD2 3.5Å; R625-D628 PolarHBondContact O-N 3.48Å; W626-D628 PolarHBondContact O-N 2.82Å; D628-R632 PolarHBondContact O-NE 2.9Å; D628-R632 PolarHBondContact O-NH2 3.11Å; D628-R632 VanDerWaalsContact O-NH2 3.16Å
629	I	55.5	Low	55.1	Low	18 Å²	18	95.1 Å²	95.1	9%	0.092	49%	0.489	C	S	.	.	H	α-helix	trans	-75.3	-50.9	173.3	-53.7	173.9	0	0	0	109.7	D624 R625 W626 E627 A631 R632 L633 L639	D624-I629 HydrophobicContact CB-CD1 3.77Å; D624-I629 HydrophobicContact CB-CG1 3.58Å; R625-I629 PolarHBondContact O-N 3.32Å; R625-I629 VanDerWaalsContact O-N 3.13Å; W626-I629 PolarHBondContact O-N 3.41Å; E627-I629 VanDerWaalsContact C-N 3.35Å; I629-A631 PolarHBondContact O-N 3.33Å; I629-R632 WeakPolarHBondContact O-CA 3.36Å; I629-R632 PolarHBondContact O-N 2.87Å; I629-L633 HydrophobicContact CG2-CD1 4Å; I629-L633 HydrophobicContact CG2-CG 4.15Å; I629-L633 PolarHBondContact O-N 3.43Å; I629-L639 HydrophobicContact CD1-CD2 4.03Å; I629-L639 HydrophobicContact CG2-CD1 3.85Å; I629-L639 HydrophobicContact CG2-CD2 3.97Å; I629-L639 HydrophobicContact CG2-CG 4.46Å
630	V	57.5	Low	55.5	Low	76 Å²	76	95.4 Å²	95.4	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-31.4	-179.4	171.8	0	0	0	0	111.8	W626 R632	W626-V630 HydrophobicContact CD2-CG2 4.17Å; W626-V630 HydrophobicContact CG-CG2 4.5Å; W626-V630 HydrophobicContact CZ2-CG2 3.97Å; W626-V630 WeakPolarHBondContact O-CG2 3.38Å; W626-V630 PolarHBondContact O-N 2.77Å; V630-R632 PolarHBondContact O-N 3.15Å
631	A	56.3	Low	56.1	Low	86 Å²	86	97 Å²	97	71%	0.711	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.4	172.7	0	0	0	0	0	115	E627 I629	E627-A631 WeakPolarHBondContact O-CB 3.31Å; E627-A631 PolarHBondContact O-N 3.36Å; E627-A631 VanDerWaalsContact O-N 3.09Å; I629-A631 PolarHBondContact O-N 3.33Å
632	R	55.9	Low	56.8	Low	134 Å²	134	93.1 Å²	93.1	51%	0.506	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-5.2	-176.7	-77.4	-177.9	-79.4	166.5	-2.5	114.6	D624 D628 I629 V630	D624-R632 IonicContact OD1-CZ 3.67Å; D624-R632 IonicContact OD1-NH1 3.96Å; D624-R632 IonicContact OD1-NH2 3.65Å; D624-R632 PolarHBondContact OD1-NH2 3.5Å; D628-R632 PolarHBondContact O-NE 2.9Å; D628-R632 PolarHBondContact O-NH2 3.11Å; D628-R632 VanDerWaalsContact O-NH2 3.16Å; I629-R632 WeakPolarHBondContact O-CA 3.36Å; I629-R632 PolarHBondContact O-N 2.87Å; V630-R632 PolarHBondContact O-N 3.15Å
633	L	55	Low	58.5	Low	48 Å²	48	81.3 Å²	81.3	25%	0.251	43%	0.431	S	S	.	.			trans	-86.4	140	176.5	-67.3	169.3	0	0	0	111	I629 D637	I629-L633 HydrophobicContact CG2-CD1 4Å; I629-L633 HydrophobicContact CG2-CG 4.15Å; I629-L633 PolarHBondContact O-N 3.43Å; L633-D637 HydrophobicContact CB-CB 4.36Å; L633-D637 HydrophobicContact CD2-CB 3.98Å
634	E	57.5	Low	59.7	Low	141 Å²	141	84.1 Å²	84.1	66%	0.659	42%	0.422	S	S	*	.			trans	-77.2	160.7	163.2	-68.5	-167.9	178.2	0	0	110.4	D636 D637	E634-D636 PolarHBondContact O-N 3.23Å; E634-D637 HydrophobicContact CB-CB 4.32Å; E634-D637 WeakPolarHBondContact O-CB 3.37Å; E634-D637 PolarHBondContact O-N 3.07Å
635	P	50.5	Low	61.4	Low	137 Å²	137	85.6 Å²	85.6	89%	0.89	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.4	-173.6	-27.5	36.6	0	0	0	116.2
636	D	53.8	Low	63.3	Low	122 Å²	122	78.6 Å²	78.6	65%	0.652	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-1.3	179.6	-68.1	-16.6	0	0	0	113.4	E634 C638	E634-D636 PolarHBondContact O-N 3.23Å; D636-C638 PolarHBondContact O-N 3.35Å
637	D	56.9	Low	65.4	Low	32 Å²	32	72 Å²	72	17%	0.171	38%	0.382	C	S	.	.			trans	-86.4	110.1	-168.8	-133.4	15.9	0	0	0	110.7	R616 A617 R618 L633 E634	R616-D637 VanDerWaalsContact C-OD1 3.23Å; A617-D637 PolarHBondContact N-OD1 3.43Å; R618-D637 IonicContact CZ-OD2 3.74Å; R618-D637 IonicContact NE-OD2 3.56Å; R618-D637 PolarHBondContact NE-OD2 2.99Å; R618-D637 IonicContact NH2-OD2 2.71Å; L633-D637 HydrophobicContact CB-CB 4.36Å; L633-D637 HydrophobicContact CD2-CB 3.98Å; E634-D637 HydrophobicContact CB-CB 4.32Å; E634-D637 WeakPolarHBondContact O-CB 3.37Å; E634-D637 PolarHBondContact O-N 3.07Å
638	C	62.2	Low	67.4	Low	59 Å²	59	67.8 Å²	67.8	40%	0.399	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.1	178.4	-77.9	0	0	0	0	112.3	R616 A617 R618 D636 Y640	R616-C638 PolarHBondContact O-N 2.65Å; A617-C638 CarbonylContact C-O 3.58Å; A617-C638 VanDerWaalsContact CA-O 3.28Å; A617-C638 WeakPolarHBondContact CA-O 3.28Å; A617-C638 HydrophobicContact CB-CB 4.21Å; A617-C638 WeakPolarHBondContact CB-O 3.42Å; R618-C638 PolarHBondContact N-O 3.06Å; D636-C638 PolarHBondContact O-N 3.35Å; C638-Y640 HydrophobicContact CB-CD2 4.48Å; C638-Y640 HydrophobicContact CB-CE1 4.44Å; C638-Y640 HydrophobicContact CB-CE2 3.73Å
639	L	65.8	Low	69.3	Low	50 Å²	50	64.3 Å²	64.3	26%	0.262	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.6	170.1	-172.5	77.6	0	0	0	110.5	W626 I629	W626-L639 HydrophobicContact CZ3-CD2 4.13Å; I629-L639 HydrophobicContact CD1-CD2 4.03Å; I629-L639 HydrophobicContact CG2-CD1 3.85Å; I629-L639 HydrophobicContact CG2-CD2 3.97Å; I629-L639 HydrophobicContact CG2-CG 4.46Å
640	Y	68.6	Low	71.2	Confident	51 Å²	51	68.5 Å²	68.5	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.6	176.5	-62.5	-66.3	0	0	0	112.7	L614 A617 R618 S620 C638 V685 A688	L614-Y640 HydrophobicContact CD1-CD2 4.49Å; A617-Y640 HydrophobicContact CB-CD2 3.94Å; A617-Y640 HydrophobicContact CB-CE2 3.63Å; R618-Y640 PolarHBondContact O-N 2.63Å; R618-Y640 VanDerWaalsContact O-N 3.13Å; S620-Y640 WeakPolarHBondContact CB-O 3.28Å; S620-Y640 PolarHBondContact N-O 2.94Å; C638-Y640 HydrophobicContact CB-CD2 4.48Å; C638-Y640 HydrophobicContact CB-CE1 4.44Å; C638-Y640 HydrophobicContact CB-CE2 3.73Å; Y640-V685 HydrophobicContact CD2-CB 4.45Å; Y640-V685 HydrophobicContact CD2-CG2 3.93Å; Y640-V685 HydrophobicContact CE2-CB 4.15Å; Y640-V685 HydrophobicContact CE2-CG2 3.99Å; Y640-V685 HydrophobicContact CG-CG2 4.5Å; Y640-A688 HydrophobicContact CD1-CB 3.62Å; Y640-A688 HydrophobicContact CE1-CB 4.15Å; Y640-A688 HydrophobicContact CG-CB 4.4Å
641	D	69.6	Low	73	Confident	78 Å²	78	65.7 Å²	65.7	42%	0.417	34%	0.341	S	S	.	.			trans	-88.4	122.9	163.2	-178.9	37.2	0	0	0	108.4	R693	D641-R693 PolarHBondContact O-NH1 3.33Å; D641-R693 WeakPolarHBondContact OD2-CD 3.4Å
642	I	71.1	Confident	74.8	Confident	18 Å²	18	64.9 Å²	64.9	9%	0.092	32%	0.323	C	S	.	.			trans	-118.3	131.8	-166.2	-66.7	-170.7	0	0	0	109.3	Y612 I619 K644	Y612-I642 HydrophobicContact CD1-CD1 4.05Å; Y612-I642 HydrophobicContact CE1-CD1 3.74Å; Y612-I642 HydrophobicContact CE1-CG2 4.1Å; Y612-I642 HydrophobicContact CE2-CG2 4.34Å; Y612-I642 WeakPolarHBondContact OH-CG2 3.37Å; I619-I642 HydrophobicContact CB-CD1 4.42Å; I619-I642 HydrophobicContact CD1-CD1 4Å; I619-I642 HydrophobicContact CG1-CD1 3.79Å; I619-I642 HydrophobicContact CG2-CB 4.47Å; I619-I642 HydrophobicContact CG2-CD1 4Å; I619-I642 HydrophobicContact CG2-CG1 4.34Å; I642-K644 PolarHBondContact O-N 3.4Å
643	P	76.9	Confident	76.7	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	30%	0.303	C	S	.	.			trans	-65.2	132.9	178.7	29.2	-31.3	0	0	0	109.2	N607 E668 Y673	N607-P643 PolarHBondContact ND2-O 2.9Å; P643-E668 VanDerWaalsContact CA-OE2 3.31Å; P643-E668 WeakPolarHBondContact CA-OE2 3.44Å; P643-E668 HydrophobicContact CB-CB 3.71Å; P643-Y673 VanDerWaalsContact CD-OH 3.27Å; P643-Y673 WeakPolarHBondContact CD-OH 3.47Å
644	K	74	Confident	78.6	Confident	132 Å²	132	57.3 Å²	57.3	57%	0.574	29%	0.292	S	S	*	.	S	Bend	trans	-80.5	-43.6	-171.5	-67.3	153.8	-171	147.2	0	110.7	N607 I642 E668	N607-K644 PolarHBondContact ND2-O 2.88Å; I642-K644 PolarHBondContact O-N 3.4Å; K644-E668 WeakPolarHBondContact CA-OE1 3.38Å; K644-E668 WeakPolarHBondContact CB-OE1 3.32Å; K644-E668 PolarHBondContact N-OE1 2.92Å; K644-E668 PolarHBondContact N-OE2 2.92Å
645	N	85.3	Confident	80	Confident	92 Å²	92	56.9 Å²	56.9	49%	0.492	29%	0.289	S	S	.	.			trans	-100.7	122.5	178.2	-66.5	-13.4	0	0	0	110.5	P667 E668	N645-P667 HydrophobicContact CB-CG 4.28Å; N645-E668 PolarHBondContact N-OE1 3.09Å
646	C	92.8	Very high	81.9	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.027	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-125.5	73.1	179.3	-164.6	0	0	0	0	111.5	H577 N607 N649 C664 G666	H577-C646 PolarHBondContact CE1-O 3.06Å; N607-C646 HydrophobicContact CB-CB 4.24Å; C646-N649 PolarHBondContact O-ND2 2.79Å; C646-N649 PolarHBondContact SG-OD1 3.13Å; C646-N649 VanDerWaalsContact SG-OD1 3.33Å; C646-C664 VanDerWaalsContact CA-SG 3.51Å; C646-C664 HydrophobicContact CB-CB 4.37Å; C646-C664 WeakPolarHBondContact CB-SG 3.44Å; C646-C664 WeakPolarHBondContact SG-CA 3.39Å; C646-C664 WeakPolarHBondContact SG-CB 3.36Å; C646-C664 CovalentContact SG-SG 2.03Å; C646-C664 PolarHBondContact SG-SG 2.68Å; C646-G666 CarbonylContact C-O 3.59Å
647	L	95.6	Very high	83.8	Confident	42 Å²	42	49.8 Å²	49.8	22%	0.22	24%	0.241	C	C	.	.			trans	-92.1	-18.5	-171.1	-52.7	179.3	0	0	0	113.5	E575 R576 G666 P667 E752	E575-L647 CarbonylContact C-O 3.53Å; E575-L647 WeakPolarHBondContact CA-O 3.48Å; E575-L647 WeakPolarHBondContact CB-O 3.27Å; E575-L647 HydrophobicContact CG-CB 4.09Å; R576-L647 PolarHBondContact N-O 3.22Å; L647-G666 PolarHBondContact N-O 3.23Å; L647-P667 HydrophobicContact CD1-CG 4.3Å; L647-E752 HydrophobicContact CB-CB 3.96Å; L647-E752 HydrophobicContact CB-CG 4.39Å; L647-E752 HydrophobicContact CD1-CB 4.47Å; L647-E752 HydrophobicContact CD1-CG 4.15Å
648	F	96.9	Very high	85.5	Confident	25 Å²	25	50.1 Å²	50.1	11%	0.11	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-117	109.5	172.7	-158.7	-69.4	0	0	0	110.3	R576 L665 G666 T751 R753	R576-F648 HydrophobicContact CB-CD1 4.36Å; R576-F648 HydrophobicContact CB-CD2 4.37Å; R576-F648 HydrophobicContact CB-CE1 4.4Å; R576-F648 HydrophobicContact CB-CE2 4.42Å; R576-F648 HydrophobicContact CB-CG 4.36Å; R576-F648 HydrophobicContact CB-CZ 4.44Å; R576-F648 HydrophobicContact CG-CD1 4.35Å; R576-F648 HydrophobicContact CG-CD2 3.91Å; R576-F648 HydrophobicContact CG-CE1 4.01Å; R576-F648 HydrophobicContact CG-CE2 3.53Å; R576-F648 HydrophobicContact CG-CG 4.32Å; R576-F648 HydrophobicContact CG-CZ 3.6Å; F648-L665 HydrophobicContact CD1-CB 4.03Å; F648-L665 HydrophobicContact CD1-CD1 4.37Å; F648-L665 HydrophobicContact CE1-CD1 4.5Å; F648-L665 WeakPolarHBondContact O-CA 3.24Å; F648-L665 PolarHBondContact O-N 3.36Å; F648-G666 PolarHBondContact N-O 2.81Å; F648-G666 VanDerWaalsContact N-O 3.12Å; F648-T751 VanDerWaalsContact CD2-OG1 3.24Å; F648-T751 WeakPolarHBondContact CD2-OG1 3.47Å; F648-T751 VanDerWaalsContact CE2-OG1 3.22Å; F648-T751 WeakPolarHBondContact CE2-OG1 3.42Å; F648-R753 HydrophobicContact CB-CB 4.43Å; F648-R753 HydrophobicContact CD1-CB 4.41Å; F648-R753 HydrophobicContact CD1-CG 4.37Å; F648-R753 HydrophobicContact CD2-CB 3.78Å; F648-R753 HydrophobicContact CE2-CB 4.1Å; F648-R753 HydrophobicContact CG-CB 3.94Å; F648-R753 HydrophobicContact CG-CG 4.37Å
649	N	96.9	Very high	87.1	Confident	4 Å²	4	49 Å²	49	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.2	-178.3	-63.8	-92.7	0	0	0	111.8	M566 R576 H577 T604 C646 Q662 E663	M566-N649 HydrophobicContact CE-CB 4.01Å; M566-N649 WeakPolarHBondContact CE-O 3.49Å; R576-N649 VanDerWaalsContact O-CB 3.32Å; R576-N649 WeakPolarHBondContact O-CB 3.48Å; R576-N649 PolarHBondContact O-N 3.07Å; R576-N649 PolarHBondContact O-ND2 2.64Å; H577-N649 PolarHBondContact ND1-ND2 3.45Å; T604-N649 PolarHBondContact OG1-ND2 2.7Å; C646-N649 PolarHBondContact O-ND2 2.79Å; C646-N649 PolarHBondContact SG-OD1 3.13Å; C646-N649 VanDerWaalsContact SG-OD1 3.33Å; N649-Q662 PolarHBondContact OD1-NE2 3.12Å; N649-E663 WeakPolarHBondContact CA-O 3.31Å
650	R	95.9	Very high	88.6	Confident	107 Å²	107	46.6 Å²	46.6	40%	0.404	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.3	158.3	-177.1	171.5	72.9	162.6	5.7	108.8	E663 L665	R650-E663 HydrophobicContact CB-CB 4.26Å; R650-E663 IonicContact CZ-OE1 3.59Å; R650-E663 IonicContact CZ-OE2 2.67Å; R650-E663 PolarHBondContact N-O 3.12Å; R650-E663 IonicContact NE-OE1 3.41Å; R650-E663 PolarHBondContact NE-OE1 3.3Å; R650-E663 VanDerWaalsContact NH2-CD 3.31Å; R650-E663 IonicContact NH2-OE1 3.48Å; R650-E663 PolarHBondContact NH2-OE1 2.87Å; R650-E663 IonicContact NH2-OE2 2.7Å; R650-E663 PolarHBondContact NH2-OE2 3.26Å; R650-E663 VanDerWaalsContact NH2-OE2 3.16Å; R650-E663 PolarHBondContact O-N 2.96Å; R650-L665 HydrophobicContact CB-CD1 3.8Å
651	V	95.6	Very high	89.9	Confident	16 Å²	16	44.3 Å²	44.3	10%	0.097	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.7	-171.2	172.2	0	0	0	0	111.4	M566 L578 F653 Y660 V661	M566-V651 HydrophobicContact SD-CB 4.26Å; M566-V651 HydrophobicContact SD-CG2 4.15Å; L578-V651 HydrophobicContact CB-CG2 4.18Å; L578-V651 HydrophobicContact CD1-CB 4.41Å; L578-V651 HydrophobicContact CD1-CG1 4.21Å; L578-V651 HydrophobicContact CD1-CG2 4.41Å; L578-V651 HydrophobicContact CD2-CG1 4.06Å; L578-V651 HydrophobicContact CD2-CG2 4.13Å; L578-V651 HydrophobicContact CG-CG2 4.47Å; V651-F653 HydrophobicContact CG1-CD2 4.01Å; V651-F653 HydrophobicContact CG1-CE2 3.72Å; V651-F653 HydrophobicContact CG1-CZ 4.34Å; V651-Y660 HydrophobicContact CG1-CD2 3.65Å; V651-Y660 HydrophobicContact CG1-CE2 4.33Å; V651-Y660 HydrophobicContact CG1-CG 3.99Å; V651-Y660 HydrophobicContact CG2-CD2 4.35Å; V651-Y660 HydrophobicContact CG2-CE2 4.41Å; V651-V661 VanDerWaalsContact CA-O 3.32Å; V651-V661 WeakPolarHBondContact CA-O 3.33Å
652	Q	94.9	Very high	91.2	Very high	70 Å²	70	40.7 Å²	40.7	33%	0.327	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	109.7	174.1	-171.8	-172.7	6.8	0	0	111.1	G96 W98 Y660 V661	G96-Q652 PolarHBondContact O-OE1 3.41Å; W98-Q652 PolarHBondContact NE1-O 2.92Å; Q652-Y660 WeakPolarHBondContact O-CA 3.42Å; Q652-V661 PolarHBondContact N-O 3.38Å; Q652-V661 PolarHBondContact O-N 2.65Å
653	F	94.8	Very high	92.3	Very high	21 Å²	21	40.2 Å²	40.2	9%	0.092	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	153.7	178.2	-74.6	-89.6	0	0	0	113.5	W98 V554 Y564 L578 V651 Y657 Y659 Y660 T677	W98-F653 PolarHBondContact NE1-O 2.67Å; V554-F653 HydrophobicContact CB-CD2 4.47Å; V554-F653 HydrophobicContact CB-CE2 4.34Å; V554-F653 HydrophobicContact CG1-CD2 3.7Å; V554-F653 HydrophobicContact CG1-CE2 3.93Å; Y564-F653 HydrophobicContact CD1-CE1 4.1Å; Y564-F653 HydrophobicContact CD1-CE2 4.21Å; Y564-F653 AromaticContact CD1-CZ 3.45Å; Y564-F653 HydrophobicContact CD1-CZ 3.45Å; Y564-F653 VanDerWaalsContact CD1-CZ 3.45Å; Y564-F653 HydrophobicContact CD2-CE1 4.18Å; Y564-F653 HydrophobicContact CD2-CE2 4.3Å; Y564-F653 AromaticContact CD2-CZ 3.93Å; Y564-F653 HydrophobicContact CD2-CZ 3.93Å; Y564-F653 HydrophobicContact CE1-CE1 4.08Å; Y564-F653 AromaticContact CE1-CZ 3.89Å; Y564-F653 HydrophobicContact CE1-CZ 3.89Å; Y564-F653 HydrophobicContact CE2-CE1 4.18Å; Y564-F653 HydrophobicContact CE2-CZ 4.33Å; Y564-F653 HydrophobicContact CG-CE1 4.15Å; Y564-F653 AromaticContact CG-CE2 3.84Å; Y564-F653 HydrophobicContact CG-CE2 3.84Å; Y564-F653 AromaticContact CG-CZ 3.48Å; Y564-F653 HydrophobicContact CG-CZ 3.48Å; Y564-F653 VanDerWaalsContact CG-CZ 3.48Å; L578-F653 HydrophobicContact CD1-CE2 4.1Å; L578-F653 HydrophobicContact CD1-CZ 4.35Å; L578-F653 HydrophobicContact CD2-CE2 4.45Å; L578-F653 HydrophobicContact CD2-CZ 4.06Å; V651-F653 HydrophobicContact CG1-CD2 4.01Å; V651-F653 HydrophobicContact CG1-CE2 3.72Å; V651-F653 HydrophobicContact CG1-CZ 4.34Å; F653-Y657 HydrophobicContact CB-CD1 3.78Å; F653-Y657 HydrophobicContact CB-CE1 4.17Å; F653-Y657 AromaticContact CD1-CD1 3.74Å; F653-Y657 HydrophobicContact CD1-CD1 3.74Å; F653-Y657 HydrophobicContact CD1-CG 4.49Å; F653-Y657 HydrophobicContact CD2-CD1 4.33Å; F653-Y657 HydrophobicContact CE1-CD1 4.41Å; F653-Y657 AromaticContact CG-CD1 3.69Å; F653-Y657 HydrophobicContact CG-CD1 3.69Å; F653-Y657 HydrophobicContact CG-CE1 4.24Å; F653-Y659 WeakPolarHBondContact CA-O 3.38Å; F653-Y660 HydrophobicContact CD1-CD1 4.22Å; F653-Y660 HydrophobicContact CD1-CG 4.37Å; F653-Y660 AromaticContact CE1-CD1 3.65Å; F653-Y660 HydrophobicContact CE1-CD1 3.65Å; F653-Y660 HydrophobicContact CE1-CE1 4.45Å; F653-Y660 HydrophobicContact CE1-CG 4.1Å; F653-Y660 HydrophobicContact CZ-CD1 4.1Å; F653-Y660 HydrophobicContact CZ-CG 4.37Å; F653-T677 HydrophobicContact CE1-CG2 3.84Å
654	S	94.3	Very high	93.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.014	19%	0.19	C	C	.	.			trans	-65	160.5	162.2	68.9	0	0	0	0	111.1	G101 D656 Y657 S658 Y659	G101-S654 VanDerWaalsContact O-CB 3.27Å; G101-S654 WeakPolarHBondContact O-CB 3.32Å; S654-D656 PolarHBondContact O-N 3.46Å; S654-D656 VanDerWaalsContact O-N 3.09Å; S654-D656 PolarHBondContact OG-OD1 2.87Å; S654-Y657 PolarHBondContact O-N 3.47Å; S654-Y657 PolarHBondContact OG-N 3Å; S654-S658 PolarHBondContact OG-N 2.91Å; S654-S658 VanDerWaalsContact OG-N 3.12Å; S654-Y659 PolarHBondContact N-O 3.07Å; S654-Y659 PolarHBondContact OG-N 3.46Å; S654-Y659 PolarHBondContact OG-O 3.29Å
655	Q	87.6	Confident	94.3	Very high	131 Å²	131	34.2 Å²	34.2	61%	0.612	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.5	-177.3	-67.1	175.9	10.9	0	0	114.2	S99	S99-Q655 VanDerWaalsContact C-NE2 3.35Å; S99-Q655 PolarHBondContact O-NE2 3.01Å; S99-Q655 VanDerWaalsContact O-NE2 3.07Å
656	D	89.9	Confident	94.7	Very high	61 Å²	61	29.8 Å²	29.8	33%	0.326	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	10.9	177.6	65.9	-2.6	0	0	0	113.1	G101 S654 S658	G101-D656 VanDerWaalsContact CA-OD1 3.25Å; G101-D656 WeakPolarHBondContact CA-OD1 3.33Å; G101-D656 WeakPolarHBondContact CA-OD2 3.35Å; S654-D656 PolarHBondContact O-N 3.46Å; S654-D656 VanDerWaalsContact O-N 3.09Å; S654-D656 PolarHBondContact OG-OD1 2.87Å; D656-S658 VanDerWaalsContact CG-OG 3.26Å; D656-S658 PolarHBondContact O-N 2.98Å; D656-S658 WeakPolarHBondContact OD1-CB 3.43Å; D656-S658 PolarHBondContact OD1-N 3.17Å; D656-S658 VanDerWaalsContact OD1-N 3.12Å; D656-S658 PolarHBondContact OD1-OG 2.78Å; D656-S658 PolarHBondContact OD2-OG 2.85Å
657	Y	93.9	Very high	94.6	Very high	50 Å²	50	31.1 Å²	31.1	20%	0.196	15%	0.149	C	C	.	.	S	Bend	trans	55.5	5.7	-174.9	-57.4	-85.7	0	0	0	116.2	G555 W556 D557 Y564 F653 S654 Y659 T677	G555-Y657 WeakPolarHBondContact CA-OH 3.45Å; W556-Y657 PolarHBondContact N-OH 2.89Å; W556-Y657 VanDerWaalsContact O-CE2 3.23Å; W556-Y657 WeakPolarHBondContact O-CE2 3.23Å; W556-Y657 PolarHBondContact O-OH 3.14Å; W556-Y657 VanDerWaalsContact O-OH 3.12Å; D557-Y657 HydrophobicContact CB-CD1 4.47Å; D557-Y657 HydrophobicContact CB-CD2 3.65Å; D557-Y657 HydrophobicContact CB-CE2 4.11Å; D557-Y657 HydrophobicContact CB-CG 3.86Å; Y564-Y657 AromaticContact CD2-CD1 3.88Å; Y564-Y657 HydrophobicContact CD2-CD1 3.88Å; Y564-Y657 HydrophobicContact CD2-CE1 4.24Å; Y564-Y657 AromaticContact CE2-CD1 3.92Å; Y564-Y657 HydrophobicContact CE2-CD1 3.92Å; Y564-Y657 HydrophobicContact CE2-CG 4.27Å; F653-Y657 HydrophobicContact CB-CD1 3.78Å; F653-Y657 HydrophobicContact CB-CE1 4.17Å; F653-Y657 AromaticContact CD1-CD1 3.74Å; F653-Y657 HydrophobicContact CD1-CD1 3.74Å; F653-Y657 HydrophobicContact CD1-CG 4.49Å; F653-Y657 HydrophobicContact CD2-CD1 4.33Å; F653-Y657 HydrophobicContact CE1-CD1 4.41Å; F653-Y657 AromaticContact CG-CD1 3.69Å; F653-Y657 HydrophobicContact CG-CD1 3.69Å; F653-Y657 HydrophobicContact CG-CE1 4.24Å; S654-Y657 PolarHBondContact O-N 3.47Å; S654-Y657 PolarHBondContact OG-N 3Å; Y657-Y659 PolarHBondContact O-N 3.42Å; Y657-T677 WeakPolarHBondContact O-CB 3.26Å; Y657-T677 WeakPolarHBondContact O-CG2 3.29Å; Y657-T677 PolarHBondContact O-OG1 3.28Å
658	S	94	Very high	94.4	Very high	39 Å²	39	32.1 Å²	32.1	27%	0.273	15%	0.153	S	C	.	.	S	Bend	trans	-63.8	-28.8	-178	63	0	0	0	0	113.6	G101 S654 D656 T677	G101-S658 PolarHBondContact O-OG 3.48Å; S654-S658 PolarHBondContact OG-N 2.91Å; S654-S658 VanDerWaalsContact OG-N 3.12Å; D656-S658 VanDerWaalsContact CG-OG 3.26Å; D656-S658 PolarHBondContact O-N 2.98Å; D656-S658 WeakPolarHBondContact OD1-CB 3.43Å; D656-S658 PolarHBondContact OD1-N 3.17Å; D656-S658 VanDerWaalsContact OD1-N 3.12Å; D656-S658 PolarHBondContact OD1-OG 2.78Å; D656-S658 PolarHBondContact OD2-OG 2.85Å; S658-T677 PolarHBondContact O-N 3.02Å; S658-T677 PolarHBondContact O-OG1 3.33Å
659	Y	95.6	Very high	94.1	Very high	35 Å²	35	31.5 Å²	31.5	14%	0.137	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.8	176.5	-60.3	-81	0	0	0	111.7	W98 M118 F653 S654 Y657 V675 E676 T677 I683	W98-Y659 HydrophobicContact CH2-CG 4.28Å; M118-Y659 HydrophobicContact CB-CD2 3.93Å; M118-Y659 HydrophobicContact CB-CE1 4.37Å; M118-Y659 HydrophobicContact CB-CE2 3.48Å; M118-Y659 VanDerWaalsContact CB-CE2 3.48Å; M118-Y659 HydrophobicContact CG-CD2 3.94Å; M118-Y659 HydrophobicContact CG-CE2 4.04Å; M118-Y659 HydrophobicContact CG-CG 4.31Å; F653-Y659 WeakPolarHBondContact CA-O 3.38Å; S654-Y659 PolarHBondContact N-O 3.07Å; S654-Y659 PolarHBondContact OG-N 3.46Å; S654-Y659 PolarHBondContact OG-O 3.29Å; Y657-Y659 PolarHBondContact O-N 3.42Å; Y659-V675 CarbonylContact C-O 3.59Å; Y659-V675 VanDerWaalsContact CA-O 3.3Å; Y659-V675 WeakPolarHBondContact CA-O 3.35Å; Y659-E676 HydrophobicContact CD1-CB 4.16Å; Y659-E676 HydrophobicContact CE1-CB 4.07Å; Y659-E676 HydrophobicContact CE1-CG 4.19Å; Y659-T677 WeakPolarHBondContact CA-OG1 3.5Å; Y659-T677 PolarHBondContact N-OG1 3.34Å; Y659-I683 HydrophobicContact CD1-CD1 3.92Å; Y659-I683 HydrophobicContact CE1-CD1 3.64Å
660	Y	96.4	Very high	94	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.7	163.2	64.4	-91.4	0	0	0	113.3	L578 V651 Q652 F653 Q662 V675 N680	L578-Y660 HydrophobicContact CD2-CD2 4.49Å; L578-Y660 HydrophobicContact CD2-CE1 4.17Å; L578-Y660 HydrophobicContact CD2-CE2 3.96Å; V651-Y660 HydrophobicContact CG1-CD2 3.65Å; V651-Y660 HydrophobicContact CG1-CE2 4.33Å; V651-Y660 HydrophobicContact CG1-CG 3.99Å; V651-Y660 HydrophobicContact CG2-CD2 4.35Å; V651-Y660 HydrophobicContact CG2-CE2 4.41Å; Q652-Y660 WeakPolarHBondContact O-CA 3.42Å; F653-Y660 HydrophobicContact CD1-CD1 4.22Å; F653-Y660 HydrophobicContact CD1-CG 4.37Å; F653-Y660 AromaticContact CE1-CD1 3.65Å; F653-Y660 HydrophobicContact CE1-CD1 3.65Å; F653-Y660 HydrophobicContact CE1-CE1 4.45Å; F653-Y660 HydrophobicContact CE1-CG 4.1Å; F653-Y660 HydrophobicContact CZ-CD1 4.1Å; F653-Y660 HydrophobicContact CZ-CG 4.37Å; Y660-Q662 HydrophobicContact CD2-CB 4.23Å; Y660-Q662 HydrophobicContact CE2-CB 4Å; Y660-V675 HydrophobicContact CD1-CB 4.12Å; Y660-V675 HydrophobicContact CD2-CB 4.02Å; Y660-V675 HydrophobicContact CD2-CG2 3.96Å; Y660-V675 HydrophobicContact CE1-CB 3.84Å; Y660-V675 HydrophobicContact CE1-CG1 3.84Å; Y660-V675 HydrophobicContact CE2-CB 3.74Å; Y660-V675 HydrophobicContact CE2-CG1 4.18Å; Y660-V675 HydrophobicContact CE2-CG2 3.57Å; Y660-V675 HydrophobicContact CG-CB 4.22Å; Y660-V675 PolarHBondContact N-O 3.42Å; Y660-V675 PolarHBondContact O-N 2.72Å; Y660-N680 PolarHBondContact OH-OD1 2.71Å
661	V	96.4	Very high	93.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.4	165.4	178.8	0	0	0	0	108.1	F94 W98 L104 V651 Q652 V672 Y673 L686	F94-V661 HydrophobicContact CD1-CG1 3.94Å; F94-V661 HydrophobicContact CE1-CG1 4Å; F94-V661 HydrophobicContact CE1-CG2 4.21Å; W98-V661 HydrophobicContact CZ2-CG2 4.08Å; L104-V661 HydrophobicContact CD1-CG2 4.09Å; L104-V661 HydrophobicContact CD2-CG2 3.7Å; V651-V661 VanDerWaalsContact CA-O 3.32Å; V651-V661 WeakPolarHBondContact CA-O 3.33Å; Q652-V661 PolarHBondContact N-O 3.38Å; Q652-V661 PolarHBondContact O-N 2.65Å; V661-V672 HydrophobicContact CG1-CG1 3.54Å; V661-Y673 CarbonylContact C-O 3.43Å; V661-Y673 WeakPolarHBondContact CA-O 3.3Å; V661-L686 HydrophobicContact CG1-CD1 3.95Å; V661-L686 HydrophobicContact CG2-CD1 3.94Å
662	Q	96	Very high	93.8	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.014	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.9	171.6	-175.5	-171.5	-0.9	0	0	109	T604 N649 Y660 V672 Y673 V675 K682	T604-Q662 HydrophobicContact CG2-CG 4.27Å; N649-Q662 PolarHBondContact OD1-NE2 3.12Å; Y660-Q662 HydrophobicContact CD2-CB 4.23Å; Y660-Q662 HydrophobicContact CE2-CB 4Å; Q662-V672 WeakPolarHBondContact O-CA 3.33Å; Q662-Y673 PolarHBondContact N-O 3.03Å; Q662-Y673 PolarHBondContact O-N 2.94Å; Q662-V675 HydrophobicContact CB-CG2 3.88Å; Q662-K682 VanDerWaalsContact OE1-CE 3.29Å
663	E	95.5	Very high	93.7	Very high	7 Å²	7	22.2 Å²	22.2	3%	0.033	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.9	163	-75.8	176.7	-82.1	0	0	109.3	F94 N649 R650 L665 V672	F94-E663 VanDerWaalsContact CB-CD 3.45Å; F94-E663 HydrophobicContact CB-CG 3.78Å; F94-E663 WeakPolarHBondContact CB-OE2 3.49Å; F94-E663 PolarHBondContact N-OE2 3.21Å; N649-E663 WeakPolarHBondContact CA-O 3.31Å; R650-E663 HydrophobicContact CB-CB 4.26Å; R650-E663 IonicContact CZ-OE1 3.59Å; R650-E663 IonicContact CZ-OE2 2.67Å; R650-E663 PolarHBondContact N-O 3.12Å; R650-E663 IonicContact NE-OE1 3.41Å; R650-E663 PolarHBondContact NE-OE1 3.3Å; R650-E663 VanDerWaalsContact NH2-CD 3.31Å; R650-E663 IonicContact NH2-OE1 3.48Å; R650-E663 PolarHBondContact NH2-OE1 2.87Å; R650-E663 IonicContact NH2-OE2 2.7Å; R650-E663 PolarHBondContact NH2-OE2 3.26Å; R650-E663 VanDerWaalsContact NH2-OE2 3.16Å; R650-E663 PolarHBondContact O-N 2.96Å; E663-L665 HydrophobicContact CB-CD1 4.5Å; E663-L665 HydrophobicContact CB-CD2 3.99Å; E663-L665 HydrophobicContact CB-CG 4.01Å; E663-L665 PolarHBondContact O-N 2.87Å; E663-V672 HydrophobicContact CG-CG1 3.99Å; E663-V672 HydrophobicContact CG-CG2 4.1Å
664	C	95.3	Very high	93.6	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.014	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	114.1	163.7	-165.8	0	0	0	0	108.3	C646 P670 S671 Y673	C646-C664 VanDerWaalsContact CA-SG 3.51Å; C646-C664 HydrophobicContact CB-CB 4.37Å; C646-C664 WeakPolarHBondContact CB-SG 3.44Å; C646-C664 WeakPolarHBondContact SG-CA 3.39Å; C646-C664 WeakPolarHBondContact SG-CB 3.36Å; C646-C664 CovalentContact SG-SG 2.03Å; C646-C664 PolarHBondContact SG-SG 2.68Å; C664-P670 CarbonylContact O-C 3.5Å; C664-P670 WeakPolarHBondContact O-CA 3.2Å; C664-P670 WeakPolarHBondContact O-CB 3.4Å; C664-S671 PolarHBondContact N-O 2.99Å; C664-S671 PolarHBondContact O-N 3.16Å; C664-Y673 HydrophobicContact CB-CE2 4.28Å
665	L	95.9	Very high	93.6	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	11%	0.108	C	C	.	.			trans	-113.7	7.3	-172.7	-62.2	178.2	0	0	0	113.7	F648 R650 E663 P670 F754	F648-L665 HydrophobicContact CD1-CB 4.03Å; F648-L665 HydrophobicContact CD1-CD1 4.37Å; F648-L665 HydrophobicContact CE1-CD1 4.5Å; F648-L665 WeakPolarHBondContact O-CA 3.24Å; F648-L665 PolarHBondContact O-N 3.36Å; R650-L665 HydrophobicContact CB-CD1 3.8Å; E663-L665 HydrophobicContact CB-CD1 4.5Å; E663-L665 HydrophobicContact CB-CD2 3.99Å; E663-L665 HydrophobicContact CB-CG 4.01Å; E663-L665 PolarHBondContact O-N 2.87Å; L665-P670 HydrophobicContact CD2-CB 4.42Å; L665-F754 WeakPolarHBondContact O-CB 3.2Å; L665-F754 PolarHBondContact O-N 2.99Å
666	G	93.7	Very high	94	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	158.4	172.5	173	0	0	0	0	0	114.7	C646 L647 F648 E752	C646-G666 CarbonylContact C-O 3.59Å; L647-G666 PolarHBondContact N-O 3.23Å; F648-G666 PolarHBondContact N-O 2.81Å; F648-G666 VanDerWaalsContact N-O 3.12Å; G666-E752 CarbonylContact C-O 3.57Å; G666-E752 VanDerWaalsContact CA-O 3.24Å; G666-E752 WeakPolarHBondContact CA-O 3.48Å
667	P	92.3	Very high	94.2	Very high	32 Å²	32	15.6 Å²	15.6	21%	0.208	8%	0.08	C	C	.	.	B	Isolated β-bridge	cis	-82.1	-18.8	7.3	31.7	-36.5	0	0	0	114.7	N645 L647 E752	N645-P667 HydrophobicContact CB-CG 4.28Å; L647-P667 HydrophobicContact CD1-CG 4.3Å; P667-E752 WeakPolarHBondContact CA-O 3.35Å; P667-E752 HydrophobicContact CB-CB 4.43Å
668	E	90.8	Very high	94.1	Very high	63 Å²	63	17.5 Å²	17.5	29%	0.294	11%	0.106	S	C	.	.	S	Bend	trans	-71.4	171.2	173.7	-70.8	179.1	-121.7	0	0	112	P643 K644 N645	P643-E668 VanDerWaalsContact CA-OE2 3.31Å; P643-E668 WeakPolarHBondContact CA-OE2 3.44Å; P643-E668 HydrophobicContact CB-CB 3.71Å; K644-E668 WeakPolarHBondContact CA-OE1 3.38Å; K644-E668 WeakPolarHBondContact CB-OE1 3.32Å; K644-E668 PolarHBondContact N-OE1 2.92Å; K644-E668 PolarHBondContact N-OE2 2.92Å; N645-E668 PolarHBondContact N-OE1 3.09Å
669	A	91.1	Very high	94	Very high	11 Å²	11	17.7 Å²	17.7	9%	0.091	11%	0.108	C	C	.	.	S	Bend	trans	-54.2	128.4	177	0	0	0	0	0	110.9	L692 R693 L696	A669-L692 HydrophobicContact CB-CG 4.48Å; A669-R693 HydrophobicContact CB-CG 3.65Å; A669-R693 PolarHBondContact O-NH2 3.35Å; A669-L696 HydrophobicContact CB-CD1 3.86Å
670	P	94.4	Very high	93.9	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.013	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-59.1	158.4	-171.4	-33.6	39.2	0	0	0	117.4	W91 C664 L665 F754	W91-P670 HydrophobicContact CB-CG 4.06Å; W91-P670 HydrophobicContact CD2-CB 3.49Å; W91-P670 VanDerWaalsContact CD2-CB 3.49Å; W91-P670 HydrophobicContact CD2-CG 3.99Å; W91-P670 HydrophobicContact CE3-CB 3.87Å; W91-P670 HydrophobicContact CE3-CG 4.47Å; W91-P670 HydrophobicContact CG-CB 3.8Å; W91-P670 HydrophobicContact CG-CG 3.78Å; W91-P670 HydrophobicContact CH2-CB 4.2Å; W91-P670 HydrophobicContact CZ2-CB 3.89Å; W91-P670 HydrophobicContact CZ3-CB 4.2Å; C664-P670 CarbonylContact O-C 3.5Å; C664-P670 WeakPolarHBondContact O-CA 3.2Å; C664-P670 WeakPolarHBondContact O-CB 3.4Å; L665-P670 HydrophobicContact CD2-CB 4.42Å; P670-F754 HydrophobicContact CG-CB 3.98Å; P670-F754 HydrophobicContact CG-CD1 3.91Å; P670-F754 HydrophobicContact CG-CG 4.12Å
671	S	92.8	Very high	93.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	161.8	177.4	-65.5	0	0	0	0	111.9	C664 Y673 N687 A688 R693	C664-S671 PolarHBondContact N-O 2.99Å; C664-S671 PolarHBondContact O-N 3.16Å; S671-Y673 VanDerWaalsContact CB-OH 3.23Å; S671-Y673 WeakPolarHBondContact CB-OH 3.42Å; S671-Y673 PolarHBondContact OG-OH 2.67Å; S671-N687 CarbonylContact C-O 3.56Å; S671-N687 WeakPolarHBondContact CA-O 3.44Å; S671-A688 PolarHBondContact OG-O 3.28Å; S671-R693 PolarHBondContact OG-NH2 3.36Å
672	V	93.4	Very high	93.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.2	179	-163.3	0	0	0	0	110.7	W91 F94 V661 Q662 E663 L686 N687	W91-V672 HydrophobicContact CH2-CG2 4.02Å; W91-V672 HydrophobicContact CZ2-CG2 3.64Å; F94-V672 HydrophobicContact CB-CG1 4.12Å; F94-V672 HydrophobicContact CB-CG2 4.14Å; F94-V672 HydrophobicContact CD2-CB 4.45Å; F94-V672 HydrophobicContact CD2-CG1 3.8Å; F94-V672 HydrophobicContact CD2-CG2 4.33Å; F94-V672 HydrophobicContact CE2-CG1 4.33Å; F94-V672 HydrophobicContact CG-CG1 3.9Å; V661-V672 HydrophobicContact CG1-CG1 3.54Å; Q662-V672 WeakPolarHBondContact O-CA 3.33Å; E663-V672 HydrophobicContact CG-CG1 3.99Å; E663-V672 HydrophobicContact CG-CG2 4.1Å; V672-L686 HydrophobicContact CB-CB 4.08Å; V672-L686 HydrophobicContact CG1-CB 3.96Å; V672-L686 HydrophobicContact CG1-CD1 4.07Å; V672-L686 PolarHBondContact O-N 2.92Å; V672-N687 HydrophobicContact CB-CB 4.23Å; V672-N687 HydrophobicContact CG2-CB 4.03Å; V672-N687 PolarHBondContact N-O 3.36Å; V672-N687 PolarHBondContact O-N 2.89Å; V672-N687 VanDerWaalsContact O-N 3.17Å
673	Y	92.6	Very high	93.3	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.3	-179.9	-52.6	-68.3	0	0	0	111.5	Y612 P643 V661 Q662 C664 S671 K682 V685	Y612-Y673 HydrophobicContact CE1-CD1 4.26Å; Y612-Y673 AromaticContact CE1-CE1 3.95Å; Y612-Y673 HydrophobicContact CE1-CE1 3.95Å; P643-Y673 VanDerWaalsContact CD-OH 3.27Å; P643-Y673 WeakPolarHBondContact CD-OH 3.47Å; V661-Y673 CarbonylContact C-O 3.43Å; V661-Y673 WeakPolarHBondContact CA-O 3.3Å; Q662-Y673 PolarHBondContact N-O 3.03Å; Q662-Y673 PolarHBondContact O-N 2.94Å; C664-Y673 HydrophobicContact CB-CE2 4.28Å; S671-Y673 VanDerWaalsContact CB-OH 3.23Å; S671-Y673 WeakPolarHBondContact CB-OH 3.42Å; S671-Y673 PolarHBondContact OG-OH 2.67Å; Y673-K682 HydrophobicContact CD2-CD 4.4Å; Y673-K682 HydrophobicContact CG-CD 4.33Å; Y673-K682 HydrophobicContact CG-CG 4.45Å; Y673-V685 HydrophobicContact CD1-CB 4.5Å; Y673-V685 HydrophobicContact CD1-CG1 4.25Å; Y673-V685 HydrophobicContact CD1-CG2 4.14Å; Y673-V685 HydrophobicContact CE1-CG1 4.09Å; Y673-V685 HydrophobicContact CE1-CG2 4.18Å
674	L	93.8	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.5	161.6	177	70.1	0	0	0	108.6	W98 L116 M118 L121 K682 I683 Y684 L686	W98-L674 HydrophobicContact CH2-CD1 3.73Å; W98-L674 HydrophobicContact CZ2-CD1 3.9Å; L116-L674 HydrophobicContact CD2-CD2 4.39Å; M118-L674 HydrophobicContact CE-CD1 3.84Å; M118-L674 HydrophobicContact CE-CD2 3.77Å; M118-L674 HydrophobicContact CE-CG 4.47Å; M118-L674 HydrophobicContact CG-CD2 4.47Å; M118-L674 HydrophobicContact SD-CD1 4.34Å; M118-L674 HydrophobicContact SD-CD2 3.36Å; M118-L674 WeakPolarHBondContact SD-CD2 3.47Å; M118-L674 HydrophobicContact SD-CG 4.49Å; L121-L674 HydrophobicContact CD2-CD2 4.49Å; L674-K682 CarbonylContact O-C 3.56Å; L674-K682 WeakPolarHBondContact O-CA 3.48Å; L674-I683 HydrophobicContact CB-CG1 4.44Å; L674-I683 HydrophobicContact CD2-CD1 3.79Å; L674-I683 HydrophobicContact CD2-CG1 3.96Å; L674-I683 HydrophobicContact CG-CD1 4.09Å; L674-I683 HydrophobicContact CG-CG1 3.97Å; L674-I683 PolarHBondContact O-N 2.74Å; L674-Y684 PolarHBondContact N-O 2.9Å; L674-L686 HydrophobicContact CB-CD1 4.23Å; L674-L686 HydrophobicContact CB-CG 4.44Å
675	V	95	Very high	92.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.6	-176.1	-162.2	0	0	0	0	109.8	Y659 Y660 Q662 D681 K682	Y659-V675 CarbonylContact C-O 3.59Å; Y659-V675 VanDerWaalsContact CA-O 3.3Å; Y659-V675 WeakPolarHBondContact CA-O 3.35Å; Y660-V675 HydrophobicContact CD1-CB 4.12Å; Y660-V675 HydrophobicContact CD2-CB 4.02Å; Y660-V675 HydrophobicContact CD2-CG2 3.96Å; Y660-V675 HydrophobicContact CE1-CB 3.84Å; Y660-V675 HydrophobicContact CE1-CG1 3.84Å; Y660-V675 HydrophobicContact CE2-CB 3.74Å; Y660-V675 HydrophobicContact CE2-CG1 4.18Å; Y660-V675 HydrophobicContact CE2-CG2 3.57Å; Y660-V675 HydrophobicContact CG-CB 4.22Å; Y660-V675 PolarHBondContact N-O 3.42Å; Y660-V675 PolarHBondContact O-N 2.72Å; Q662-V675 HydrophobicContact CB-CG2 3.88Å; V675-D681 WeakPolarHBondContact CA-O 3.47Å; V675-D681 VanDerWaalsContact CG1-O 3.27Å; V675-D681 WeakPolarHBondContact CG1-O 3.48Å; V675-K682 HydrophobicContact CG2-CG 4Å
676	E	94.8	Very high	92.2	Very high	68 Å²	68	22.9 Å²	22.9	32%	0.318	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.3	168.2	179.3	-173.5	-132.6	0	0	109.5	Y659 A678 S679 N680 D681 I683	Y659-E676 HydrophobicContact CD1-CB 4.16Å; Y659-E676 HydrophobicContact CE1-CB 4.07Å; Y659-E676 HydrophobicContact CE1-CG 4.19Å; E676-A678 VanDerWaalsContact C-N 3.32Å; E676-A678 HydrophobicContact CG-CB 4.49Å; E676-A678 PolarHBondContact O-N 3.38Å; E676-S679 WeakPolarHBondContact CB-OG 3.48Å; E676-S679 PolarHBondContact O-OG 3.12Å; E676-S679 VanDerWaalsContact OE2-CB 3.23Å; E676-S679 WeakPolarHBondContact OE2-CB 3.34Å; E676-S679 PolarHBondContact OE2-OG 2.97Å; E676-N680 VanDerWaalsContact O-CA 3.28Å; E676-N680 WeakPolarHBondContact O-CA 3.38Å; E676-N680 PolarHBondContact O-N 3.44Å; E676-D681 PolarHBondContact N-O 2.97Å; E676-I683 HydrophobicContact CB-CG2 4.37Å
677	T	94.4	Very high	91.9	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.037	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.4	-171.1	-53.7	0	0	0	0	113.5	Y564 F653 Y657 S658 Y659	Y564-T677 HydrophobicContact CE1-CG2 4.01Å; Y564-T677 WeakPolarHBondContact OH-CG2 3.38Å; F653-T677 HydrophobicContact CE1-CG2 3.84Å; Y657-T677 WeakPolarHBondContact O-CB 3.26Å; Y657-T677 WeakPolarHBondContact O-CG2 3.29Å; Y657-T677 PolarHBondContact O-OG1 3.28Å; S658-T677 PolarHBondContact O-N 3.02Å; S658-T677 PolarHBondContact O-OG1 3.33Å; Y659-T677 WeakPolarHBondContact CA-OG1 3.5Å; Y659-T677 PolarHBondContact N-OG1 3.34Å
678	A	91.6	Very high	91.6	Very high	91 Å²	91	25 Å²	25	75%	0.752	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-43.4	-176.4	0	0	0	0	0	112.4	E676	E676-A678 VanDerWaalsContact C-N 3.32Å; E676-A678 HydrophobicContact CG-CB 4.49Å; E676-A678 PolarHBondContact O-N 3.38Å
679	S	92.2	Very high	91.5	Very high	43 Å²	43	22.1 Å²	22.1	30%	0.301	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-24.9	179.9	58.4	0	0	0	0	113.6	E676 D681	E676-S679 WeakPolarHBondContact CB-OG 3.48Å; E676-S679 PolarHBondContact O-OG 3.12Å; E676-S679 VanDerWaalsContact OE2-CB 3.23Å; E676-S679 WeakPolarHBondContact OE2-CB 3.34Å; E676-S679 PolarHBondContact OE2-OG 2.97Å; S679-D681 WeakPolarHBondContact CB-OD2 3.26Å; S679-D681 PolarHBondContact OG-N 3.49Å; S679-D681 PolarHBondContact OG-OD2 3.13Å
680	N	94.6	Very high	91.1	Very high	38 Å²	38	24.8 Å²	24.8	20%	0.203	14%	0.144	C	C	.	.			trans	65.4	20.2	-167.4	-153.6	88.4	0	0	0	113.6	L603 Y660 E676	L603-N680 WeakPolarHBondContact CB-OD1 3.49Å; L603-N680 WeakPolarHBondContact CD2-OD1 3.2Å; L603-N680 PolarHBondContact O-ND2 3.01Å; Y660-N680 PolarHBondContact OH-OD1 2.71Å; E676-N680 VanDerWaalsContact O-CA 3.28Å; E676-N680 WeakPolarHBondContact O-CA 3.38Å; E676-N680 PolarHBondContact O-N 3.44Å
681	D	92.3	Very high	90.7	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.048	17%	0.172	C	C	.	.			trans	-84.7	134.1	176.5	-64.7	-48.8	0	0	0	111.8	R613 V675 E676 S679 I683	R613-D681 HydrophobicContact CB-CB 4.12Å; R613-D681 VanDerWaalsContact CD-CG 3.42Å; R613-D681 WeakPolarHBondContact CD-OD2 3.42Å; R613-D681 HydrophobicContact CG-CB 4.04Å; R613-D681 IonicContact CZ-OD1 3.98Å; R613-D681 IonicContact CZ-OD2 3.68Å; R613-D681 VanDerWaalsContact NE-CG 3.32Å; R613-D681 IonicContact NE-OD1 3.57Å; R613-D681 PolarHBondContact NE-OD1 2.62Å; R613-D681 IonicContact NE-OD2 2.74Å; R613-D681 PolarHBondContact NE-OD2 3.25Å; R613-D681 VanDerWaalsContact NE-OD2 3.14Å; R613-D681 IonicContact NH1-OD1 2.83Å; R613-D681 IonicContact NH1-OD2 3.69Å; R613-D681 PolarHBondContact NH1-OD2 2.91Å; R613-D681 IonicContact NH2-OD1 3.59Å; R613-D681 PolarHBondContact NH2-OD1 2.84Å; R613-D681 IonicContact NH2-OD2 3.69Å; V675-D681 WeakPolarHBondContact CA-O 3.47Å; V675-D681 VanDerWaalsContact CG1-O 3.27Å; V675-D681 WeakPolarHBondContact CG1-O 3.48Å; E676-D681 PolarHBondContact N-O 2.97Å; S679-D681 WeakPolarHBondContact CB-OD2 3.26Å; S679-D681 PolarHBondContact OG-N 3.49Å; S679-D681 PolarHBondContact OG-OD2 3.13Å; D681-I683 HydrophobicContact CB-CG2 4.37Å; D681-I683 PolarHBondContact O-N 2.73Å
682	K	91.5	Very high	90.5	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.022	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	111.7	167.3	-61.8	157.5	-170.5	158	0	108.3	N607 T611 Y612 R613 Q662 Y673 L674 V675	N607-K682 PolarHBondContact OD1-NZ 2.54Å; T611-K682 WeakPolarHBondContact O-CB 3.46Å; T611-K682 WeakPolarHBondContact O-CG 3.42Å; T611-K682 PolarHBondContact O-N 3.29Å; T611-K682 PolarHBondContact OG1-NZ 3.1Å; Y612-K682 HydrophobicContact CD1-CB 3.9Å; Y612-K682 HydrophobicContact CD1-CD 3.7Å; Y612-K682 HydrophobicContact CD1-CG 4.47Å; Y612-K682 HydrophobicContact CD2-CD 4.2Å; Y612-K682 HydrophobicContact CE1-CB 4.22Å; Y612-K682 HydrophobicContact CE1-CD 3.31Å; Y612-K682 HydrophobicContact CE1-CG 4.38Å; Y612-K682 HydrophobicContact CE2-CD 3.85Å; Y612-K682 HydrophobicContact CG-CB 4.42Å; Y612-K682 HydrophobicContact CG-CD 4.12Å; Y612-K682 VanDerWaalsContact CZ-NZ 3.3Å; Y612-K682 PolarHBondContact OH-NZ 3.37Å; Y612-K682 VanDerWaalsContact OH-NZ 3.07Å; R613-K682 CarbonylContact C-O 3.57Å; R613-K682 PolarHBondContact N-O 2.84Å; Q662-K682 VanDerWaalsContact OE1-CE 3.29Å; Y673-K682 HydrophobicContact CD2-CD 4.4Å; Y673-K682 HydrophobicContact CG-CD 4.33Å; Y673-K682 HydrophobicContact CG-CG 4.45Å; L674-K682 CarbonylContact O-C 3.56Å; L674-K682 WeakPolarHBondContact O-CA 3.48Å; V675-K682 HydrophobicContact CG2-CG 4Å
683	I	90.8	Very high	90.3	Very high	18 Å²	18	31.5 Å²	31.5	9%	0.092	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-22.7	-171.6	54.9	167.3	0	0	0	113.9	H615 Y659 L674 E676 D681	H615-I683 PolarHBondContact N-O 3.09Å; Y659-I683 HydrophobicContact CD1-CD1 3.92Å; Y659-I683 HydrophobicContact CE1-CD1 3.64Å; L674-I683 HydrophobicContact CB-CG1 4.44Å; L674-I683 HydrophobicContact CD2-CD1 3.79Å; L674-I683 HydrophobicContact CD2-CG1 3.96Å; L674-I683 HydrophobicContact CG-CD1 4.09Å; L674-I683 HydrophobicContact CG-CG1 3.97Å; L674-I683 PolarHBondContact O-N 2.74Å; E676-I683 HydrophobicContact CB-CG2 4.37Å; D681-I683 HydrophobicContact CB-CG2 4.37Å; D681-I683 PolarHBondContact O-N 2.73Å
684	Y	87.6	Confident	90	Very high	66 Å²	66	37.2 Å²	37.2	26%	0.259	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.5	-178.2	-170.7	-89.8	0	0	0	111.6	L116 L674 L686	L116-Y684 HydrophobicContact CD2-CD1 4.04Å; L116-Y684 HydrophobicContact CD2-CE1 4.11Å; L116-Y684 HydrophobicContact CD2-CG 4.48Å; L674-Y684 PolarHBondContact N-O 2.9Å; Y684-L686 HydrophobicContact CD1-CD2 3.98Å; Y684-L686 HydrophobicContact CD1-CG 4.22Å; Y684-L686 HydrophobicContact CE1-CD2 4.07Å
685	V	87.4	Confident	89.8	Confident	13 Å²	13	42.4 Å²	42.4	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	109.3	177.6	-172.9	0	0	0	0	109.4	L614 Y640 Y673 A688	L614-V685 HydrophobicContact CD1-CG2 3.96Å; L614-V685 HydrophobicContact CD2-CG2 3.74Å; Y640-V685 HydrophobicContact CD2-CB 4.45Å; Y640-V685 HydrophobicContact CD2-CG2 3.93Å; Y640-V685 HydrophobicContact CE2-CB 4.15Å; Y640-V685 HydrophobicContact CE2-CG2 3.99Å; Y640-V685 HydrophobicContact CG-CG2 4.5Å; Y673-V685 HydrophobicContact CD1-CB 4.5Å; Y673-V685 HydrophobicContact CD1-CG1 4.25Å; Y673-V685 HydrophobicContact CD1-CG2 4.14Å; Y673-V685 HydrophobicContact CE1-CG1 4.09Å; Y673-V685 HydrophobicContact CE1-CG2 4.18Å; V685-A688 HydrophobicContact CG1-CB 3.88Å
686	L	89.1	Confident	89.6	Confident	13 Å²	13	43.2 Å²	43.2	7%	0.068	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-35.9	-178.9	-70.9	165.7	0	0	0	111.9	F94 L104 Y106 L116 V661 V672 L674 Y684	F94-L686 HydrophobicContact CE2-CB 4.24Å; F94-L686 HydrophobicContact CE2-CD1 4.23Å; F94-L686 HydrophobicContact CZ-CD1 4.05Å; L104-L686 HydrophobicContact CD2-CD1 3.73Å; L104-L686 HydrophobicContact CD2-CD2 3.96Å; Y106-L686 HydrophobicContact CD2-CD2 4.34Å; Y106-L686 HydrophobicContact CE2-CD2 4.34Å; L116-L686 HydrophobicContact CD2-CD2 4.05Å; V661-L686 HydrophobicContact CG1-CD1 3.95Å; V661-L686 HydrophobicContact CG2-CD1 3.94Å; V672-L686 HydrophobicContact CB-CB 4.08Å; V672-L686 HydrophobicContact CG1-CB 3.96Å; V672-L686 HydrophobicContact CG1-CD1 4.07Å; V672-L686 PolarHBondContact O-N 2.92Å; L674-L686 HydrophobicContact CB-CD1 4.23Å; L674-L686 HydrophobicContact CB-CG 4.44Å; Y684-L686 HydrophobicContact CD1-CD2 3.98Å; Y684-L686 HydrophobicContact CD1-CG 4.22Å; Y684-L686 HydrophobicContact CE1-CD2 4.07Å
687	N	88.6	Confident	89.3	Confident	71 Å²	71	43.7 Å²	43.7	38%	0.38	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	112.1	170.5	179	2.8	0	0	0	109.5	W91 S671 V672 G689	W91-N687 HydrophobicContact CH2-CB 4.46Å; W91-N687 VanDerWaalsContact CH2-ND2 3.28Å; W91-N687 WeakPolarHBondContact CH2-ND2 3.44Å; S671-N687 CarbonylContact C-O 3.56Å; S671-N687 WeakPolarHBondContact CA-O 3.44Å; V672-N687 HydrophobicContact CB-CB 4.23Å; V672-N687 HydrophobicContact CG2-CB 4.03Å; V672-N687 PolarHBondContact N-O 3.36Å; V672-N687 PolarHBondContact O-N 2.89Å; V672-N687 VanDerWaalsContact O-N 3.17Å; N687-G689 VanDerWaalsContact C-N 3.33Å; N687-G689 PolarHBondContact O-N 2.84Å; N687-G689 PolarHBondContact OD1-N 3.25Å
688	A	85	Confident	89	Confident	6 Å²	6	48.2 Å²	48.2	5%	0.05	26%	0.262	C	S	.	.			trans	-70.7	-26.4	179.6	0	0	0	0	0	113.1	Y640 S671 V685 D690 R693	Y640-A688 HydrophobicContact CD1-CB 3.62Å; Y640-A688 HydrophobicContact CE1-CB 4.15Å; Y640-A688 HydrophobicContact CG-CB 4.4Å; S671-A688 PolarHBondContact OG-O 3.28Å; V685-A688 HydrophobicContact CG1-CB 3.88Å; A688-D690 WeakPolarHBondContact CB-OD1 3.37Å; A688-D690 WeakPolarHBondContact CB-OD2 3.15Å; A688-R693 PolarHBondContact O-NH1 3.05Å; A688-R693 PolarHBondContact O-NH2 3.07Å
689	G	87.8	Confident	89.1	Confident	3 Å²	3	44.3 Å²	44.3	3%	0.031	23%	0.229	C	C	.	.			trans	88.5	9.3	-178.1	0	0	0	0	0	115.1	N687 V691 L692 R693	N687-G689 VanDerWaalsContact C-N 3.33Å; N687-G689 PolarHBondContact O-N 2.84Å; N687-G689 PolarHBondContact OD1-N 3.25Å; G689-V691 VanDerWaalsContact C-N 3.28Å; G689-V691 PolarHBondContact O-N 2.87Å; G689-V691 VanDerWaalsContact O-N 3.15Å; G689-L692 WeakPolarHBondContact O-CA 3.48Å; G689-L692 WeakPolarHBondContact O-CB 3.24Å; G689-L692 PolarHBondContact O-N 3.03Å; G689-R693 PolarHBondContact O-N 2.87Å; G689-R693 VanDerWaalsContact O-N 3.11Å
690	D	83.4	Confident	89.1	Confident	67 Å²	67	42.4 Å²	42.4	36%	0.358	22%	0.215	S	C	.	.	H	α-helix	trans	-56.4	-36.3	-170.6	-43.2	-49.9	0	0	0	113.8	A688 L692 R693 H694	A688-D690 WeakPolarHBondContact CB-OD1 3.37Å; A688-D690 WeakPolarHBondContact CB-OD2 3.15Å; D690-L692 PolarHBondContact O-N 3.43Å; D690-R693 PolarHBondContact O-N 3Å; D690-R693 IonicContact OD1-NH1 3.71Å; D690-H694 VanDerWaalsContact O-CB 3.3Å; D690-H694 WeakPolarHBondContact O-CB 3.36Å; D690-H694 PolarHBondContact O-N 3.26Å
691	V	85.9	Confident	89	Confident	99 Å²	99	44.5 Å²	44.5	60%	0.6	23%	0.226	S	C	*	.	H	α-helix	trans	-61.8	-33.3	176.8	179.6	0	0	0	0	111.7	G689 R695	G689-V691 VanDerWaalsContact C-N 3.28Å; G689-V691 PolarHBondContact O-N 2.87Å; G689-V691 VanDerWaalsContact O-N 3.15Å; V691-R695 WeakPolarHBondContact O-CD 3.19Å; V691-R695 VanDerWaalsContact O-CG 3.31Å; V691-R695 WeakPolarHBondContact O-CG 3.39Å; V691-R695 PolarHBondContact O-N 3.27Å
692	L	89.1	Confident	89.1	Confident	15 Å²	15	44.6 Å²	44.6	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-78.6	-45.7	175.2	179.1	56.7	0	0	0	110.8	L89 W91 A669 G689 D690 H694 R695 L696 F754	L89-L692 HydrophobicContact CD2-CD1 4.37Å; L89-L692 VanDerWaalsContact O-CD1 3.26Å; L89-L692 WeakPolarHBondContact O-CD1 3.35Å; W91-L692 HydrophobicContact CB-CD2 4.38Å; W91-L692 HydrophobicContact CE3-CD2 4.16Å; A669-L692 HydrophobicContact CB-CG 4.48Å; G689-L692 WeakPolarHBondContact O-CA 3.48Å; G689-L692 WeakPolarHBondContact O-CB 3.24Å; G689-L692 PolarHBondContact O-N 3.03Å; D690-L692 PolarHBondContact O-N 3.43Å; L692-H694 VanDerWaalsContact C-N 3.32Å; L692-H694 PolarHBondContact O-N 2.82Å; L692-R695 PolarHBondContact O-N 3Å; L692-L696 HydrophobicContact CD1-CD1 4Å; L692-L696 HydrophobicContact CD1-CG 4.09Å; L692-L696 HydrophobicContact CG-CD1 3.87Å; L692-L696 HydrophobicContact CG-CG 4.44Å; L692-L696 WeakPolarHBondContact O-CG 3.46Å; L692-L696 PolarHBondContact O-N 2.78Å; L692-F754 HydrophobicContact CD2-CE1 3.96Å; L692-F754 HydrophobicContact CD2-CZ 4.24Å
693	R	88.2	Confident	89.1	Confident	29 Å²	29	48.5 Å²	48.5	11%	0.109	25%	0.245	C	C	.	.	H	α-helix	trans	-56.1	-45	174.2	-73.4	-166.7	-167.3	83.9	29.2	112.2	D641 A669 S671 A688 G689 D690 R695 L696 S697	D641-R693 PolarHBondContact O-NH1 3.33Å; D641-R693 WeakPolarHBondContact OD2-CD 3.4Å; A669-R693 HydrophobicContact CB-CG 3.65Å; A669-R693 PolarHBondContact O-NH2 3.35Å; S671-R693 PolarHBondContact OG-NH2 3.36Å; A688-R693 PolarHBondContact O-NH1 3.05Å; A688-R693 PolarHBondContact O-NH2 3.07Å; G689-R693 PolarHBondContact O-N 2.87Å; G689-R693 VanDerWaalsContact O-N 3.11Å; D690-R693 PolarHBondContact O-N 3Å; D690-R693 IonicContact OD1-NH1 3.71Å; R693-R695 PolarHBondContact O-N 2.76Å; R693-L696 PolarHBondContact O-N 3.27Å; R693-S697 WeakPolarHBondContact O-CB 3.49Å; R693-S697 PolarHBondContact O-N 3.4Å
694	H	86.1	Confident	89.2	Confident	121 Å²	121	50.7 Å²	50.7	56%	0.56	26%	0.262	S	S	*	.	H	α-helix	trans	-61.7	-42.6	179.3	-174.6	66.6	0	0	0	111.8	D690 L692 S697 Q698	D690-H694 VanDerWaalsContact O-CB 3.3Å; D690-H694 WeakPolarHBondContact O-CB 3.36Å; D690-H694 PolarHBondContact O-N 3.26Å; L692-H694 VanDerWaalsContact C-N 3.32Å; L692-H694 PolarHBondContact O-N 2.82Å; H694-S697 PolarHBondContact O-N 3.35Å; H694-S697 PolarHBondContact O-OG 2.84Å; H694-Q698 PolarHBondContact CD2-NE2 3.48Å; H694-Q698 PolarHBondContact NE2-NE2 2.85Å; H694-Q698 WeakPolarHBondContact O-CG 3.48Å
695	R	89.8	Confident	89.4	Confident	109 Å²	109	51.8 Å²	51.8	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-45.3	173.2	-72.4	171.7	-177.9	171.4	4.6	112.3	S88 L89 V691 L692 R693 S697 Q698	S88-R695 PolarHBondContact O-NH1 3.26Å; L89-R695 HydrophobicContact CD2-CB 3.82Å; V691-R695 WeakPolarHBondContact O-CD 3.19Å; V691-R695 VanDerWaalsContact O-CG 3.31Å; V691-R695 WeakPolarHBondContact O-CG 3.39Å; V691-R695 PolarHBondContact O-N 3.27Å; L692-R695 PolarHBondContact O-N 3Å; R693-R695 PolarHBondContact O-N 2.76Å; R695-S697 VanDerWaalsContact C-N 3.32Å; R695-S697 PolarHBondContact O-N 3.43Å; R695-Q698 WeakPolarHBondContact O-CB 3.36Å; R695-Q698 PolarHBondContact O-N 3.25Å
696	L	90.8	Very high	89.8	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-35.3	178.2	-67.3	167.1	0	0	0	112	L89 A669 L692 R693 Q698 L699 I701 F754 W760	L89-L696 HydrophobicContact CD2-CD2 4.35Å; A669-L696 HydrophobicContact CB-CD1 3.86Å; L692-L696 HydrophobicContact CD1-CD1 4Å; L692-L696 HydrophobicContact CD1-CG 4.09Å; L692-L696 HydrophobicContact CG-CD1 3.87Å; L692-L696 HydrophobicContact CG-CG 4.44Å; L692-L696 WeakPolarHBondContact O-CG 3.46Å; L692-L696 PolarHBondContact O-N 2.78Å; R693-L696 PolarHBondContact O-N 3.27Å; L696-Q698 PolarHBondContact O-N 3.46Å; L696-L699 PolarHBondContact O-N 3Å; L696-L699 VanDerWaalsContact O-O 3.14Å; L696-I701 HydrophobicContact CD2-CG2 4.3Å; L696-F754 HydrophobicContact CD1-CE2 3.87Å; L696-F754 HydrophobicContact CD1-CZ 3.75Å; L696-F754 HydrophobicContact CD2-CZ 4.39Å; L696-W760 HydrophobicContact CD2-CZ3 4.26Å
697	S	88.4	Confident	90.1	Very high	77 Å²	77	55 Å²	55	54%	0.538	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-16.2	177.2	75.4	0	0	0	0	114.4	R693 H694 R695 L699	R693-S697 WeakPolarHBondContact O-CB 3.49Å; R693-S697 PolarHBondContact O-N 3.4Å; H694-S697 PolarHBondContact O-N 3.35Å; H694-S697 PolarHBondContact O-OG 2.84Å; R695-S697 VanDerWaalsContact C-N 3.32Å; R695-S697 PolarHBondContact O-N 3.43Å; S697-L699 VanDerWaalsContact C-N 3.35Å
698	Q	89.9	Confident	90.4	Very high	102 Å²	102	54.2 Å²	54.2	48%	0.477	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.4	172.8	-61.2	173.2	12.8	0	0	112.9	G76 R77 H694 R695 L696	G76-Q698 CarbonylContact C-O 3.54Å; G76-Q698 VanDerWaalsContact CA-C 3.49Å; G76-Q698 WeakPolarHBondContact CA-O 3.47Å; R77-Q698 PolarHBondContact N-O 3.41Å; H694-Q698 PolarHBondContact CD2-NE2 3.48Å; H694-Q698 PolarHBondContact NE2-NE2 2.85Å; H694-Q698 WeakPolarHBondContact O-CG 3.48Å; R695-Q698 WeakPolarHBondContact O-CB 3.36Å; R695-Q698 PolarHBondContact O-N 3.25Å; L696-Q698 PolarHBondContact O-N 3.46Å
699	L	92.4	Very high	91	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-120.7	143.3	-173.9	-60	174.9	0	0	0	112	R75 R77 M79 L89 L696 S697 I701	R75-L699 CarbonylContact O-C 3.59Å; R77-L699 HydrophobicContact CG-CD2 3.85Å; R77-L699 VanDerWaalsContact CZ-CD2 3.47Å; R77-L699 CarbonylContact O-C 3.52Å; R77-L699 VanDerWaalsContact O-CA 3.32Å; R77-L699 WeakPolarHBondContact O-CA 3.23Å; M79-L699 HydrophobicContact CE-CB 3.91Å; M79-L699 HydrophobicContact CE-CD1 4.16Å; M79-L699 HydrophobicContact CG-CB 4.47Å; M79-L699 HydrophobicContact CG-CD1 4.4Å; L89-L699 HydrophobicContact CD1-CD1 3.59Å; L89-L699 HydrophobicContact CD2-CD1 4.08Å; L89-L699 HydrophobicContact CG-CD1 4.48Å; L696-L699 PolarHBondContact O-N 3Å; L696-L699 VanDerWaalsContact O-O 3.14Å; S697-L699 VanDerWaalsContact C-N 3.35Å; L699-I701 VanDerWaalsContact C-N 3.28Å; L699-I701 HydrophobicContact CB-CG2 4.48Å; L699-I701 PolarHBondContact O-N 3.45Å
700	A	92.6	Very high	91.3	Very high	2 Å²	2	60.9 Å²	60.9	2%	0.017	31%	0.313	C	S	.	.			trans	-73.7	82.3	168.5	0	0	0	0	0	109.2	I74 R75 R77 R78 P725 S764	I74-A700 HydrophobicContact CG2-CB 3.41Å; I74-A700 VanDerWaalsContact CG2-CB 3.41Å; R75-A700 WeakPolarHBondContact O-CA 3.33Å; R75-A700 PolarHBondContact O-N 2.66Å; R77-A700 PolarHBondContact O-N 2.84Å; R78-A700 HydrophobicContact CG-CB 4.38Å; A700-P725 HydrophobicContact CB-CB 3.86Å; A700-P725 HydrophobicContact CB-CG 3.87Å; A700-P725 WeakPolarHBondContact O-CG 3.15Å; A700-S764 WeakPolarHBondContact O-CB 3.42Å; A700-S764 PolarHBondContact O-OG 2.74Å
701	I	92.2	Very high	91.7	Very high	82 Å²	82	58.6 Å²	58.6	42%	0.421	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-66.5	143.2	177.5	64.4	175.5	0	0	0	111.1	M79 L696 L699 P725 W760	M79-I701 HydrophobicContact CE-CB 4.21Å; M79-I701 HydrophobicContact CE-CG2 3.74Å; L696-I701 HydrophobicContact CD2-CG2 4.3Å; L699-I701 VanDerWaalsContact C-N 3.28Å; L699-I701 HydrophobicContact CB-CG2 4.48Å; L699-I701 PolarHBondContact O-N 3.45Å; I701-P725 WeakPolarHBondContact O-CG 3.45Å; I701-W760 HydrophobicContact CB-CZ3 4.21Å; I701-W760 HydrophobicContact CG2-CZ3 4.03Å
702	P	93.9	Very high	91.7	Very high	11 Å²	11	61.6 Å²	61.6	7%	0.071	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-68.6	156.7	175.2	32.3	-37.7	0	0	0	111.1	F722 L723 W760 A763	P702-F722 HydrophobicContact CB-CB 4.36Å; P702-F722 HydrophobicContact CG-CD1 4.37Å; P702-L723 WeakPolarHBondContact CA-O 3.41Å; P702-W760 HydrophobicContact CG-CB 4.15Å; P702-W760 HydrophobicContact CG-CD2 3.74Å; P702-W760 HydrophobicContact CG-CE3 4.05Å; P702-W760 HydrophobicContact CG-CG 3.81Å; P702-A763 HydrophobicContact CB-CB 3.72Å
703	Q	91.8	Very high	91.5	Very high	87 Å²	87	68.3 Å²	68.3	41%	0.407	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.2	175	-54.3	179.1	85	0	0	108.6	L723 P724 M727	Q703-L723 HydrophobicContact CB-CB 4.29Å; Q703-L723 PolarHBondContact N-O 2.79Å; Q703-L723 PolarHBondContact O-N 2.94Å; Q703-P724 PolarHBondContact NE2-O 3.01Å; Q703-P724 VanDerWaalsContact NE2-O 3.11Å; Q703-M727 PolarHBondContact NE2-O 3.13Å
704	S	92.4	Very high	91.3	Very high	64 Å²	64	69.2 Å²	69.2	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124	179	60.9	0	0	0	0	112	L721	S704-L721 WeakPolarHBondContact CA-O 3.38Å
705	R	92.4	Very high	91.6	Very high	90 Å²	90	64.8 Å²	64.8	34%	0.34	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.8	175.5	-176.1	-177.3	173.7	179.3	2.1	110.3	F707 R720 L721 E729	R705-F707 HydrophobicContact CG-CD1 4.15Å; R705-R720 WeakPolarHBondContact O-CA 3.31Å; R705-L721 PolarHBondContact N-O 3.39Å; R705-L721 PolarHBondContact O-N 3.28Å; R705-E729 WeakPolarHBondContact CD-OE1 3.27Å; R705-E729 IonicContact CZ-OE1 3.83Å; R705-E729 IonicContact CZ-OE2 2.82Å; R705-E729 IonicContact NE-OE1 2.91Å; R705-E729 IonicContact NH1-OE1 2.62Å; R705-E729 PolarHBondContact NH1-OE1 2.87Å; R705-E729 IonicContact NH1-OE2 2.96Å; R705-E729 PolarHBondContact NH1-OE2 3.33Å
706	T	95.2	Very high	91.8	Very high	53 Å²	53	63.5 Å²	63.5	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.6	174.5	-48.9	0	0	0	0	109.9	V719 V750 E752	T706-V719 CarbonylContact C-O 3.58Å; T706-V719 WeakPolarHBondContact CA-O 3.41Å; T706-V750 HydrophobicContact CG2-CG1 3.77Å; T706-E752 VanDerWaalsContact CB-OE1 3.26Å; T706-E752 WeakPolarHBondContact CB-OE1 3.24Å; T706-E752 PolarHBondContact OG1-OE1 2.69Å
707	F	95.5	Very high	92.1	Very high	41 Å²	41	62.7 Å²	62.7	18%	0.18	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	176.2	174.6	61.7	-83.8	0	0	0	111	R705 V709 V719 L721 Y807 L808 L812	R705-F707 HydrophobicContact CG-CD1 4.15Å; F707-V709 HydrophobicContact CD2-CG2 4.03Å; F707-V709 HydrophobicContact CE2-CG2 3.68Å; F707-V719 HydrophobicContact CD2-CB 4.42Å; F707-V719 HydrophobicContact CE1-CB 4.31Å; F707-V719 HydrophobicContact CE1-CG1 4.12Å; F707-V719 HydrophobicContact CE2-CB 4.13Å; F707-V719 HydrophobicContact CE2-CG1 4.39Å; F707-V719 HydrophobicContact CE2-CG2 4.41Å; F707-V719 HydrophobicContact CZ-CB 4.09Å; F707-V719 HydrophobicContact CZ-CG1 3.89Å; F707-V719 PolarHBondContact N-O 3.14Å; F707-V719 PolarHBondContact O-N 3.11Å; F707-V719 VanDerWaalsContact O-O 3.14Å; F707-L721 HydrophobicContact CE1-CD1 3.85Å; F707-L721 HydrophobicContact CE1-CG 3.99Å; F707-L721 HydrophobicContact CZ-CD1 4.24Å; F707-Y807 HydrophobicContact CE2-CE1 4.31Å; F707-L808 HydrophobicContact CE2-CD2 4.3Å; F707-L808 HydrophobicContact CZ-CD2 3.71Å; F707-L812 HydrophobicContact CZ-CD1 4.49Å
708	S	96	Very high	92.5	Very high	54 Å²	54	59.7 Å²	59.7	38%	0.378	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.6	179.9	-171.2	0	0	0	0	111.8	A717 Q718	S708-A717 CarbonylContact C-O 3.6Å; S708-A717 VanDerWaalsContact CA-O 3.23Å; S708-A717 WeakPolarHBondContact CA-O 3.48Å; S708-A717 WeakPolarHBondContact CB-O 3.49Å; S708-A717 PolarHBondContact OG-O 2.86Å; S708-Q718 PolarHBondContact OG-NE2 3.17Å
709	V	96.2	Very high	92.9	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.055	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.8	178.8	179.2	0	0	0	0	108.5	F707 H716 A717 V719 V804 Y807	F707-V709 HydrophobicContact CD2-CG2 4.03Å; F707-V709 HydrophobicContact CE2-CG2 3.68Å; V709-H716 CarbonylContact O-C 3.58Å; V709-H716 WeakPolarHBondContact O-CA 3.23Å; V709-A717 PolarHBondContact N-O 3.46Å; V709-A717 PolarHBondContact O-N 3.34Å; V709-V719 HydrophobicContact CB-CG2 4.44Å; V709-V719 HydrophobicContact CG2-CG2 3.76Å; V709-V804 HydrophobicContact CB-CG2 4.36Å; V709-V804 HydrophobicContact CG1-CG2 4.23Å; V709-V804 HydrophobicContact CG2-CG1 4.39Å; V709-Y807 HydrophobicContact CG1-CD1 3.93Å; V709-Y807 HydrophobicContact CG1-CD2 4.43Å; V709-Y807 HydrophobicContact CG1-CE1 4.35Å; V709-Y807 HydrophobicContact CG1-CG 3.99Å; V709-Y807 HydrophobicContact CG2-CD1 3.8Å; V709-Y807 HydrophobicContact CG2-CE1 3.76Å
710	E	94.4	Very high	93.1	Very high	139 Å²	139	55.3 Å²	55.3	65%	0.65	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.5	173.4	-168.4	177.7	157.2	0	0	110.3
711	I	92.9	Very high	93.4	Very high	20 Å²	20	55.2 Å²	55.2	10%	0.103	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	174.6	-178.9	51.4	161.2	0	0	0	110	H713 G714 F715 A717 R776 D800 V804	I711-H713 PolarHBondContact O-N 3.32Å; I711-G714 PolarHBondContact O-N 3.38Å; I711-F715 HydrophobicContact CD1-CB 3.72Å; I711-F715 VanDerWaalsContact CG1-C 3.48Å; I711-F715 HydrophobicContact CG1-CB 3.73Å; I711-F715 WeakPolarHBondContact CG1-O 3.38Å; I711-F715 PolarHBondContact N-O 3.18Å; I711-A717 HydrophobicContact CD1-CB 4.29Å; I711-A717 HydrophobicContact CG1-CB 4.5Å; I711-A717 HydrophobicContact CG2-CB 4.03Å; I711-R776 HydrophobicContact CD1-CG 4.06Å; I711-D800 HydrophobicContact CD1-CB 4.41Å; I711-D800 VanDerWaalsContact CD1-CG 3.41Å; I711-D800 WeakPolarHBondContact CD1-OD1 3.28Å; I711-D800 WeakPolarHBondContact CD1-OD2 3.27Å; I711-V804 HydrophobicContact CG2-CG2 3.64Å
712	R	85.9	Confident	93.6	Very high	162 Å²	162	51.5 Å²	51.5	61%	0.611	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-55.5	143.2	-172.2	-65.6	-169.5	-177	169.4	15	112.4	G714 E799	R712-G714 VanDerWaalsContact C-N 3.33Å; R712-E799 IonicContact CZ-OE1 3.09Å; R712-E799 IonicContact NE-OE1 2.99Å; R712-E799 IonicContact NH1-OE1 2.67Å; R712-E799 PolarHBondContact NH1-OE1 2.77Å; R712-E799 IonicContact NH2-OE1 3.66Å
713	H	84.3	Confident	93.6	Very high	156 Å²	156	51.3 Å²	51.3	72%	0.722	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	68.9	21	-178.5	-40.5	92.7	0	0	0	115.1	I711 F715	I711-H713 PolarHBondContact O-N 3.32Å; H713-F715 VanDerWaalsContact C-N 3.31Å; H713-F715 HydrophobicContact CB-CD2 4.17Å; H713-F715 HydrophobicContact CB-CE2 4.22Å; H713-F715 PolarHBondContact O-N 2.96Å
714	G	84.6	Confident	93.8	Very high	47 Å²	47	47.3 Å²	47.3	49%	0.485	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	75.9	17.4	173.9	0	0	0	0	0	114.2	I711 R712	I711-G714 PolarHBondContact O-N 3.38Å; R712-G714 VanDerWaalsContact C-N 3.33Å
715	F	91.6	Very high	93.7	Very high	29 Å²	29	44.8 Å²	44.8	13%	0.127	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	159.9	166.8	-67.4	-75.2	0	0	0	110.1	I711 H713 R776 L784 L785 Q788	I711-F715 HydrophobicContact CD1-CB 3.72Å; I711-F715 VanDerWaalsContact CG1-C 3.48Å; I711-F715 HydrophobicContact CG1-CB 3.73Å; I711-F715 WeakPolarHBondContact CG1-O 3.38Å; I711-F715 PolarHBondContact N-O 3.18Å; H713-F715 VanDerWaalsContact C-N 3.31Å; H713-F715 HydrophobicContact CB-CD2 4.17Å; H713-F715 HydrophobicContact CB-CE2 4.22Å; H713-F715 PolarHBondContact O-N 2.96Å; F715-R776 HydrophobicContact CB-CG 4.33Å; F715-R776 HydrophobicContact CD2-CG 4.02Å; F715-R776 HydrophobicContact CE2-CG 4.47Å; F715-R776 HydrophobicContact CG-CG 4.1Å; F715-L784 HydrophobicContact CE1-CD2 4.42Å; F715-L784 HydrophobicContact CE1-CG 4.05Å; F715-L784 HydrophobicContact CZ-CG 4.08Å; F715-L785 HydrophobicContact CD1-CB 3.99Å; F715-L785 HydrophobicContact CD1-CD1 4.02Å; F715-L785 HydrophobicContact CD1-CG 4.14Å; F715-L785 HydrophobicContact CE1-CB 3.96Å; F715-Q788 HydrophobicContact CE2-CG 4.16Å; F715-Q788 HydrophobicContact CZ-CG 3.88Å
716	H	93.8	Very high	93.3	Very high	82 Å²	82	42 Å²	42	38%	0.38	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	110.8	179.9	-77.8	-67.6	0	0	0	110	V709 Q781	V709-H716 CarbonylContact O-C 3.58Å; V709-H716 WeakPolarHBondContact O-CA 3.23Å; H716-Q781 PolarHBondContact O-NE2 3.37Å
717	A	96.6	Very high	92.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	149.5	170.7	0	0	0	0	0	110.1	S708 V709 I711 I773 D774 V804	S708-A717 CarbonylContact C-O 3.6Å; S708-A717 VanDerWaalsContact CA-O 3.23Å; S708-A717 WeakPolarHBondContact CA-O 3.48Å; S708-A717 WeakPolarHBondContact CB-O 3.49Å; S708-A717 PolarHBondContact OG-O 2.86Å; V709-A717 PolarHBondContact N-O 3.46Å; V709-A717 PolarHBondContact O-N 3.34Å; I711-A717 HydrophobicContact CD1-CB 4.29Å; I711-A717 HydrophobicContact CG1-CB 4.5Å; I711-A717 HydrophobicContact CG2-CB 4.03Å; A717-I773 HydrophobicContact CB-CG2 4.47Å; A717-D774 CarbonylContact C-O 3.6Å; A717-D774 WeakPolarHBondContact CA-O 3.24Å; A717-D774 WeakPolarHBondContact CB-O 3.37Å; A717-V804 HydrophobicContact CB-CG2 3.85Å
718	Q	97.5	Very high	92.2	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.065	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	143.3	167	-55.3	-51.4	-56.6	0	0	109.8	P573 S708 V750 I773 D774	P573-Q718 HydrophobicContact CG-CG 3.57Å; S708-Q718 PolarHBondContact OG-NE2 3.17Å; Q718-V750 HydrophobicContact CB-CB 4.05Å; Q718-V750 HydrophobicContact CB-CG1 3.81Å; Q718-V750 HydrophobicContact CB-CG2 4.39Å; Q718-I773 WeakPolarHBondContact O-CA 3.12Å; Q718-D774 HydrophobicContact CB-CB 4.44Å; Q718-D774 PolarHBondContact N-O 3.49Å; Q718-D774 PolarHBondContact O-N 3.23Å
719	V	98	Very high	91.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.6	-179.8	-174.4	0	0	0	0	109.2	T706 F707 V709 L721 Q772 I773 V804 L808	T706-V719 CarbonylContact C-O 3.58Å; T706-V719 WeakPolarHBondContact CA-O 3.41Å; F707-V719 HydrophobicContact CD2-CB 4.42Å; F707-V719 HydrophobicContact CE1-CB 4.31Å; F707-V719 HydrophobicContact CE1-CG1 4.12Å; F707-V719 HydrophobicContact CE2-CB 4.13Å; F707-V719 HydrophobicContact CE2-CG1 4.39Å; F707-V719 HydrophobicContact CE2-CG2 4.41Å; F707-V719 HydrophobicContact CZ-CB 4.09Å; F707-V719 HydrophobicContact CZ-CG1 3.89Å; F707-V719 PolarHBondContact N-O 3.14Å; F707-V719 PolarHBondContact O-N 3.11Å; F707-V719 VanDerWaalsContact O-O 3.14Å; V709-V719 HydrophobicContact CB-CG2 4.44Å; V709-V719 HydrophobicContact CG2-CG2 3.76Å; V719-L721 HydrophobicContact CG1-CD2 4.15Å; V719-L721 HydrophobicContact CG1-CG 4.42Å; V719-Q772 WeakPolarHBondContact CA-O 3.26Å; V719-I773 HydrophobicContact CG1-CG1 4.45Å; V719-I773 HydrophobicContact CG2-CG1 4.45Å; V719-V804 HydrophobicContact CG2-CG1 3.54Å; V719-L808 HydrophobicContact CG1-CD1 4.29Å; V719-L808 HydrophobicContact CG1-CD2 4.26Å
720	R	97.8	Very high	90.2	Very high	19 Å²	19	53.2 Å²	53.2	7%	0.072	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.7	167	-158.8	179.3	-151.3	-170.4	8.2	109.5	R705 V750 T751 E752 A771 Q772	R705-R720 WeakPolarHBondContact O-CA 3.31Å; R720-V750 HydrophobicContact CB-CG1 4.1Å; R720-V750 HydrophobicContact CB-CG2 4.15Å; R720-T751 PolarHBondContact NH1-O 2.9Å; R720-T751 PolarHBondContact NH2-O 3.2Å; R720-E752 IonicContact NH2-OE2 2.85Å; R720-E752 PolarHBondContact NH2-OE2 3.34Å; R720-A771 CarbonylContact O-C 3.55Å; R720-A771 WeakPolarHBondContact O-CA 3.37Å; R720-Q772 HydrophobicContact CB-CB 4.27Å; R720-Q772 PolarHBondContact N-O 3.24Å; R720-Q772 PolarHBondContact O-N 3.14Å
721	L	97.4	Very high	89.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.7	169.9	-57.7	-179	0	0	0	109.5	S704 R705 F707 V719 L723 I769 V770 A771 L808 L812	S704-L721 WeakPolarHBondContact CA-O 3.38Å; R705-L721 PolarHBondContact N-O 3.39Å; R705-L721 PolarHBondContact O-N 3.28Å; F707-L721 HydrophobicContact CE1-CD1 3.85Å; F707-L721 HydrophobicContact CE1-CG 3.99Å; F707-L721 HydrophobicContact CZ-CD1 4.24Å; V719-L721 HydrophobicContact CG1-CD2 4.15Å; V719-L721 HydrophobicContact CG1-CG 4.42Å; L721-L723 HydrophobicContact CB-CD2 4.07Å; L721-L723 HydrophobicContact CB-CG 4.43Å; L721-L723 HydrophobicContact CD1-CD2 4.36Å; L721-I769 HydrophobicContact CD2-CG2 4.32Å; L721-V770 CarbonylContact C-O 3.55Å; L721-V770 WeakPolarHBondContact CA-O 3Å; L721-A771 HydrophobicContact CD2-CB 3.69Å; L721-L808 HydrophobicContact CD2-CD1 4.31Å; L721-L812 HydrophobicContact CD1-CD1 3.8Å
722	F	97.1	Very high	88.3	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	111.1	161.1	-58.6	-80.4	0	0	0	107.9	P702 N759 W760 A763 V770 Q772	P702-F722 HydrophobicContact CB-CB 4.36Å; P702-F722 HydrophobicContact CG-CD1 4.37Å; F722-N759 HydrophobicContact CD2-CB 4.04Å; F722-N759 HydrophobicContact CE2-CB 4.09Å; F722-W760 AromaticContact CE1-CD1 3.96Å; F722-W760 AromaticContact CE1-NE1 3.5Å; F722-A763 HydrophobicContact CB-CB 4.04Å; F722-V770 HydrophobicContact CB-CB 4.31Å; F722-V770 HydrophobicContact CD2-CB 4.17Å; F722-V770 HydrophobicContact CD2-CG1 4.45Å; F722-V770 PolarHBondContact N-O 2.9Å; F722-V770 PolarHBondContact O-N 2.83Å; F722-V770 VanDerWaalsContact O-N 3.09Å; F722-Q772 HydrophobicContact CE2-CG 4.3Å; F722-Q772 VanDerWaalsContact CE2-OE1 3.3Å
723	L	94.9	Very high	88.2	Confident	7 Å²	7	51 Å²	51	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	147.8	179.7	-53.8	176.2	0	0	0	110.5	P702 Q703 L721 M727 I769 F814	P702-L723 WeakPolarHBondContact CA-O 3.41Å; Q703-L723 HydrophobicContact CB-CB 4.29Å; Q703-L723 PolarHBondContact N-O 2.79Å; Q703-L723 PolarHBondContact O-N 2.94Å; L721-L723 HydrophobicContact CB-CD2 4.07Å; L721-L723 HydrophobicContact CB-CG 4.43Å; L721-L723 HydrophobicContact CD1-CD2 4.36Å; L723-M727 HydrophobicContact CB-SD 4.22Å; L723-I769 HydrophobicContact CD2-CD1 4.16Å; L723-I769 HydrophobicContact CD2-CG1 4.04Å; L723-I769 HydrophobicContact CD2-CG2 4.1Å; L723-F814 HydrophobicContact CD2-CE2 4.09Å
724	P	94.5	Very high	88.5	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.026	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-50.6	144.9	174.7	-30.3	34.8	0	0	0	114.6	Q703 G726 M727 F735 S767	Q703-P724 PolarHBondContact NE2-O 3.01Å; Q703-P724 VanDerWaalsContact NE2-O 3.11Å; P724-G726 PolarHBondContact O-N 2.73Å; P724-M727 HydrophobicContact CB-CB 4.22Å; P724-M727 HydrophobicContact CG-SD 4.25Å; P724-M727 WeakPolarHBondContact O-CB 3.45Å; P724-M727 PolarHBondContact O-N 3.24Å; P724-F735 HydrophobicContact CG-CD1 4.26Å; P724-F735 HydrophobicContact CG-CE1 4.44Å; P724-S767 WeakPolarHBondContact CG-O 3.49Å
725	P	91.6	Very high	89	Confident	10 Å²	10	44 Å²	44	7%	0.065	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	125.4	178.6	-20.7	30.8	0	0	0	112	I74 A700 I701 M727 A763	I74-P725 WeakPolarHBondContact CD1-O 3.33Å; I74-P725 HydrophobicContact CG2-CB 4.13Å; A700-P725 HydrophobicContact CB-CB 3.86Å; A700-P725 HydrophobicContact CB-CG 3.87Å; A700-P725 WeakPolarHBondContact O-CG 3.15Å; I701-P725 WeakPolarHBondContact O-CG 3.45Å; P725-M727 VanDerWaalsContact C-N 3.3Å; P725-M727 PolarHBondContact O-N 2.9Å; P725-A763 WeakPolarHBondContact CD-O 3.41Å
726	G	84.1	Confident	89.2	Confident	32 Å²	32	43 Å²	43	33%	0.33	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-8.6	177.3	0	0	0	0	0	115.9	L72 P724	L72-G726 VanDerWaalsContact CD2-O 3.32Å; L72-G726 WeakPolarHBondContact CD2-O 3.31Å; P724-G726 PolarHBondContact O-N 2.73Å
727	M	86.3	Confident	89.4	Confident	15 Å²	15	39.1 Å²	39.1	7%	0.074	20%	0.202	C	C	.	.			trans	-57.9	141	173.4	176.1	-170.5	171.2	0	0	111.8	Q703 L723 P724 P725 F735 I769 F814	Q703-M727 PolarHBondContact NE2-O 3.13Å; L723-M727 HydrophobicContact CB-SD 4.22Å; P724-M727 HydrophobicContact CB-CB 4.22Å; P724-M727 HydrophobicContact CG-SD 4.25Å; P724-M727 WeakPolarHBondContact O-CB 3.45Å; P724-M727 PolarHBondContact O-N 3.24Å; P725-M727 VanDerWaalsContact C-N 3.3Å; P725-M727 PolarHBondContact O-N 2.9Å; M727-F735 HydrophobicContact CE-CD2 3.69Å; M727-F735 HydrophobicContact CE-CE2 3.76Å; M727-F735 HydrophobicContact CG-CE2 3.88Å; M727-F735 HydrophobicContact CG-CZ 4.32Å; M727-F735 HydrophobicContact SD-CD2 3.83Å; M727-F735 HydrophobicContact SD-CE2 3.71Å; M727-F735 HydrophobicContact SD-CZ 4.41Å; M727-I769 HydrophobicContact CE-CD1 4.35Å; M727-F814 HydrophobicContact CE-CB 3.41Å; M727-F814 VanDerWaalsContact CE-CB 3.41Å; M727-F814 HydrophobicContact CE-CD1 4.06Å; M727-F814 HydrophobicContact CE-CD2 3.62Å; M727-F814 HydrophobicContact CE-CE2 4.36Å; M727-F814 HydrophobicContact CE-CG 3.43Å; M727-F814 VanDerWaalsContact CE-CG 3.43Å
728	R	81.3	Confident	89.4	Confident	140 Å²	140	39.1 Å²	39.1	53%	0.528	20%	0.202	S	C	.	.			trans	-109.2	142.8	168.7	-57.9	173.4	66.4	158.7	-2.1	110.5	E730 E731	R728-E730 IonicContact CZ-OE2 3.92Å; R728-E730 VanDerWaalsContact CZ-OE2 3.25Å; R728-E730 IonicContact NE-OE2 2.78Å; R728-E730 PolarHBondContact NE-OE2 3.29Å; R728-E730 IonicContact NH2-OE2 3.25Å; R728-E730 PolarHBondContact NH2-OE2 3.46Å; R728-E730 PolarHBondContact O-N 3.11Å; R728-E731 HydrophobicContact CB-CG 4.06Å; R728-E731 VanDerWaalsContact CD-OE1 3.31Å; R728-E731 WeakPolarHBondContact CD-OE1 3.25Å; R728-E731 PolarHBondContact N-OE2 3.29Å; R728-E731 PolarHBondContact O-N 2.7Å
729	E	74.7	Confident	89.5	Confident	91 Å²	91	38.5 Å²	38.5	43%	0.425	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.7	176.3	-56.6	-171	176.6	0	0	113.6	R705 F814	R705-E729 WeakPolarHBondContact CD-OE1 3.27Å; R705-E729 IonicContact CZ-OE1 3.83Å; R705-E729 IonicContact CZ-OE2 2.82Å; R705-E729 IonicContact NE-OE1 2.91Å; R705-E729 IonicContact NH1-OE1 2.62Å; R705-E729 PolarHBondContact NH1-OE1 2.87Å; R705-E729 IonicContact NH1-OE2 2.96Å; R705-E729 PolarHBondContact NH1-OE2 3.33Å; E729-F814 HydrophobicContact CB-CD1 4.05Å; E729-F814 HydrophobicContact CB-CE1 3.83Å; E729-F814 HydrophobicContact CG-CD1 4.28Å; E729-F814 HydrophobicContact CG-CE1 3.73Å; E729-F814 HydrophobicContact CG-CZ 4.41Å
730	E	74.8	Confident	89.5	Confident	147 Å²	147	40.2 Å²	40.2	69%	0.687	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.9	-177.8	-58.3	162.8	134.7	0	0	112.5	R728	R728-E730 IonicContact CZ-OE2 3.92Å; R728-E730 VanDerWaalsContact CZ-OE2 3.25Å; R728-E730 IonicContact NE-OE2 2.78Å; R728-E730 PolarHBondContact NE-OE2 3.29Å; R728-E730 IonicContact NH2-OE2 3.25Å; R728-E730 PolarHBondContact NH2-OE2 3.46Å; R728-E730 PolarHBondContact O-N 3.11Å
731	E	71.8	Confident	89.5	Confident	66 Å²	66	39.4 Å²	39.4	31%	0.308	20%	0.204	S	C	.	.	S	Bend	trans	-85.1	133.1	179	-71	161.2	-175.2	0	0	109.9	R728 V733	R728-E731 HydrophobicContact CB-CG 4.06Å; R728-E731 VanDerWaalsContact CD-OE1 3.31Å; R728-E731 WeakPolarHBondContact CD-OE1 3.25Å; R728-E731 PolarHBondContact N-OE2 3.29Å; R728-E731 PolarHBondContact O-N 2.7Å; E731-V733 HydrophobicContact CB-CG2 4.42Å; E731-V733 PolarHBondContact O-N 2.71Å
732	D	75.9	Confident	89.4	Confident	141 Å²	141	41 Å²	41	75%	0.754	21%	0.213	S	C	*	.			trans	-73.8	26.4	178.7	-68.9	-58.1	0	0	0	113.3	K813	D732-K813 IonicContact OD1-NZ 3.22Å
733	V	84.4	Confident	89.3	Confident	66 Å²	66	41.5 Å²	41.5	40%	0.4	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-91.6	119.8	-180	-178	0	0	0	0	110.2	E731 F735	E731-V733 HydrophobicContact CB-CG2 4.42Å; E731-V733 PolarHBondContact O-N 2.71Å; V733-F735 HydrophobicContact CB-CE2 3.94Å; V733-F735 HydrophobicContact CB-CZ 4.21Å; V733-F735 HydrophobicContact CG1-CD2 4.31Å; V733-F735 HydrophobicContact CG1-CE1 4.17Å; V733-F735 HydrophobicContact CG1-CE2 3.66Å; V733-F735 HydrophobicContact CG1-CZ 3.58Å; V733-F735 WeakPolarHBondContact O-CD2 3.48Å; V733-F735 WeakPolarHBondContact O-CE2 3.48Å
734	A	90.5	Very high	89.3	Confident	38 Å²	38	42.5 Å²	42.5	31%	0.314	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-93.3	122.9	178.7	0	0	0	0	0	112.3	D816 R819	A734-D816 HydrophobicContact CB-CB 4.08Å; A734-R819 PolarHBondContact O-NH2 2.82Å
735	F	93.6	Very high	89.3	Confident	19 Å²	19	42.9 Å²	42.9	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.7	-179.8	-63.5	-87.8	0	0	0	111.3	P724 M727 V733 S767 I769 F814 D816 W964	P724-F735 HydrophobicContact CG-CD1 4.26Å; P724-F735 HydrophobicContact CG-CE1 4.44Å; M727-F735 HydrophobicContact CE-CD2 3.69Å; M727-F735 HydrophobicContact CE-CE2 3.76Å; M727-F735 HydrophobicContact CG-CE2 3.88Å; M727-F735 HydrophobicContact CG-CZ 4.32Å; M727-F735 HydrophobicContact SD-CD2 3.83Å; M727-F735 HydrophobicContact SD-CE2 3.71Å; M727-F735 HydrophobicContact SD-CZ 4.41Å; V733-F735 HydrophobicContact CB-CE2 3.94Å; V733-F735 HydrophobicContact CB-CZ 4.21Å; V733-F735 HydrophobicContact CG1-CD2 4.31Å; V733-F735 HydrophobicContact CG1-CE1 4.17Å; V733-F735 HydrophobicContact CG1-CE2 3.66Å; V733-F735 HydrophobicContact CG1-CZ 3.58Å; V733-F735 WeakPolarHBondContact O-CD2 3.48Å; V733-F735 WeakPolarHBondContact O-CE2 3.48Å; F735-S767 VanDerWaalsContact CD1-O 3.26Å; F735-S767 WeakPolarHBondContact CD1-O 3.49Å; F735-I769 HydrophobicContact CB-CD1 3.86Å; F735-I769 HydrophobicContact CB-CG1 3.97Å; F735-F814 PolarHBondContact N-O 3.36Å; F735-D816 PolarHBondContact O-N 2.84Å; F735-W964 HydrophobicContact CE1-CH2 4.46Å; F735-W964 HydrophobicContact CE1-CZ2 4.3Å
736	P	96.3	Very high	89.2	Confident	8 Å²	8	43.9 Å²	43.9	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	147.6	174.7	32.9	-37	0	0	0	110.5	F768 I769 R819 F956	P736-F768 HydrophobicContact CB-CD1 4.48Å; P736-F768 HydrophobicContact CG-CB 4.48Å; P736-F768 HydrophobicContact CG-CD1 3.35Å; P736-F768 HydrophobicContact CG-CE1 3.72Å; P736-F768 HydrophobicContact CG-CG 4.04Å; P736-I769 PolarHBondContact O-N 3.27Å; P736-R819 CarbonylContact C-O 3.54Å; P736-R819 VanDerWaalsContact CA-O 3.31Å; P736-R819 WeakPolarHBondContact CA-O 3.4Å; P736-R819 HydrophobicContact CB-CB 3.66Å; P736-F956 HydrophobicContact CB-CD2 3.94Å; P736-F956 HydrophobicContact CB-CE1 4.48Å; P736-F956 HydrophobicContact CB-CE2 3.71Å; P736-F956 HydrophobicContact CB-CG 4.42Å; P736-F956 HydrophobicContact CB-CZ 4Å; P736-F956 HydrophobicContact CG-CD2 4.5Å; P736-F956 HydrophobicContact CG-CE2 4.32Å
737	L	97.8	Very high	89.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.3	179.2	-175.3	149.6	0	0	0	112.2	L739 I769 A771 L805 I815 R819 I820 C821	L737-L739 HydrophobicContact CD2-CB 4.18Å; L737-I769 CarbonylContact C-O 3.33Å; L737-I769 VanDerWaalsContact CA-O 3.32Å; L737-I769 WeakPolarHBondContact CA-O 3.05Å; L737-I769 HydrophobicContact CD1-CG2 4.03Å; L737-I769 HydrophobicContact CG-CG2 4.36Å; L737-A771 HydrophobicContact CD1-CB 4.15Å; L737-A771 HydrophobicContact CD2-CB 4.25Å; L737-A771 HydrophobicContact CG-CB 4.41Å; L737-L805 HydrophobicContact CD2-CD1 3.73Å; L737-I815 HydrophobicContact CB-CG2 4.02Å; L737-I815 HydrophobicContact CD1-CD1 3.6Å; L737-I815 HydrophobicContact CD1-CG1 4.17Å; L737-I815 HydrophobicContact CD1-CG2 4.16Å; L737-R819 PolarHBondContact N-O 2.76Å; L737-I820 HydrophobicContact CB-CG1 4.42Å; L737-I820 HydrophobicContact CD2-CG2 3.93Å; L737-I820 WeakPolarHBondContact O-CA 3.13Å; L737-C821 PolarHBondContact O-N 2.99Å
738	V	98.4	Very high	90	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.6	168.6	180	0	0	0	0	108.9	L762 F768 I769 V770 A771 C821 F823 F952 F956	V738-L762 HydrophobicContact CB-CD1 4.44Å; V738-L762 HydrophobicContact CG1-CD1 4.25Å; V738-L762 HydrophobicContact CG2-CD1 4.49Å; V738-F768 HydrophobicContact CG2-CD2 3.78Å; V738-F768 HydrophobicContact CG2-CE2 4.45Å; V738-I769 PolarHBondContact N-O 3.18Å; V738-V770 VanDerWaalsContact O-CA 3.31Å; V738-V770 WeakPolarHBondContact O-CA 3.49Å; V738-A771 PolarHBondContact O-N 2.83Å; V738-C821 CarbonylContact C-O 3.56Å; V738-C821 WeakPolarHBondContact CA-O 3.26Å; V738-F823 HydrophobicContact CG1-CD1 3.46Å; V738-F823 VanDerWaalsContact CG1-CD1 3.46Å; V738-F823 HydrophobicContact CG1-CE1 3.61Å; V738-F952 HydrophobicContact CB-CE2 4.42Å; V738-F952 HydrophobicContact CG1-CD2 4.46Å; V738-F952 HydrophobicContact CG1-CE2 3.59Å; V738-F952 HydrophobicContact CG1-CZ 3.66Å; V738-F952 HydrophobicContact CG2-CD2 3.93Å; V738-F952 HydrophobicContact CG2-CE2 3.88Å; V738-F952 HydrophobicContact CG2-CG 4.48Å; V738-F952 HydrophobicContact CG2-CZ 4.41Å; V738-F956 HydrophobicContact CG2-CE2 4.41Å; V738-F956 HydrophobicContact CG2-CZ 4.1Å
739	L	98.6	Very high	90.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121	172.8	178.4	65.3	0	0	0	110	L737 V741 A771 I773 L805 C821 A822 F823 M835	L737-L739 HydrophobicContact CD2-CB 4.18Å; L739-V741 HydrophobicContact CD2-CG2 3.72Å; L739-V741 HydrophobicContact CG-CG2 3.72Å; L739-A771 HydrophobicContact CD1-CB 3.88Å; L739-I773 HydrophobicContact CD1-CD1 3.57Å; L739-I773 HydrophobicContact CD1-CG1 3.9Å; L739-I773 HydrophobicContact CD2-CD1 4.39Å; L739-L805 HydrophobicContact CB-CD1 4.39Å; L739-L805 HydrophobicContact CD2-CD1 4.31Å; L739-L805 HydrophobicContact CD2-CD2 4.19Å; L739-C821 PolarHBondContact N-O 2.78Å; L739-A822 HydrophobicContact CB-CB 4.19Å; L739-A822 CarbonylContact O-C 3.49Å; L739-A822 WeakPolarHBondContact O-CA 3.02Å; L739-F823 PolarHBondContact O-N 3.22Å; L739-M835 HydrophobicContact CD2-CE 3.57Å; L739-M835 HydrophobicContact CD2-SD 4.11Å
740	H	98.6	Very high	91.8	Very high	37 Å²	37	34.9 Å²	34.9	17%	0.171	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.2	169	178.6	-168.6	0	0	0	108.7	L749 N759 V770 A771 Q772 F823	H740-L749 VanDerWaalsContact O-CD2 3.27Å; H740-L749 WeakPolarHBondContact O-CD2 3.25Å; H740-N759 PolarHBondContact ND1-ND2 2.94Å; H740-N759 PolarHBondContact ND1-OD1 3.36Å; H740-V770 HydrophobicContact CB-CG1 4.32Å; H740-A771 PolarHBondContact N-O 3.18Å; H740-Q772 HydrophobicContact CB-CG 4.28Å; H740-F823 HydrophobicContact CB-CE1 3.77Å; H740-F823 HydrophobicContact CB-CE2 4.38Å; H740-F823 HydrophobicContact CB-CZ 3.64Å; H740-F823 AromaticContact CD2-CE2 3.48Å; H740-F823 VanDerWaalsContact CD2-CE2 3.48Å; H740-F823 WeakPolarHBondContact CD2-CE2 3.27Å; H740-F823 AromaticContact CD2-CZ 3.6Å; H740-F823 AromaticContact CG-CE2 3.94Å; H740-F823 AromaticContact CG-CZ 3.53Å; H740-F823 AromaticContact NE2-CE2 3.98Å
741	V	97.9	Very high	92.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.3	-177.6	-171.6	0	0	0	0	110.2	L739 A743 A822 F823 G824 G828 A831 M835	L739-V741 HydrophobicContact CD2-CG2 3.72Å; L739-V741 HydrophobicContact CG-CG2 3.72Å; V741-A743 HydrophobicContact CG1-CB 4.05Å; V741-A822 HydrophobicContact CG2-CB 4.31Å; V741-F823 PolarHBondContact N-O 2.61Å; V741-G824 WeakPolarHBondContact O-CA 3.36Å; V741-G828 VanDerWaalsContact O-CA 3.29Å; V741-G828 WeakPolarHBondContact O-CA 3.41Å; V741-A831 HydrophobicContact CG1-CB 3.69Å; V741-M835 HydrophobicContact CG2-SD 3.99Å
742	D	95.3	Very high	94	Very high	34 Å²	34	27 Å²	27	18%	0.182	16%	0.164	C	C	.	.			trans	-106.6	-67.7	159.7	171.5	19.7	0	0	0	108.9	S744 S747 L749 G828	D742-S744 PolarHBondContact O-N 2.85Å; D742-S744 WeakPolarHBondContact OD1-CB 3.41Å; D742-S744 PolarHBondContact OD1-N 2.62Å; D742-S744 PolarHBondContact OD1-OG 3.02Å; D742-S747 VanDerWaalsContact OD2-CB 3.23Å; D742-S747 WeakPolarHBondContact OD2-CB 3.42Å; D742-S747 PolarHBondContact OD2-OG 2.74Å; D742-L749 HydrophobicContact CB-CB 4.4Å; D742-L749 HydrophobicContact CB-CD1 4.29Å; D742-L749 HydrophobicContact CB-CD2 4.04Å; D742-L749 HydrophobicContact CB-CG 4.48Å; D742-G828 WeakPolarHBondContact O-CA 3.47Å; D742-G828 PolarHBondContact O-N 2.83Å
743	A	95.1	Very high	94.9	Very high	15 Å²	15	25 Å²	25	12%	0.124	15%	0.145	C	C	.	.			trans	56	11.2	179	0	0	0	0	0	115.6	V741 E797 Y827 A831	V741-A743 HydrophobicContact CG1-CB 4.05Å; A743-E797 HydrophobicContact CB-CG 4.17Å; A743-Y827 VanDerWaalsContact O-CE1 3.31Å; A743-Y827 WeakPolarHBondContact O-CE1 3.45Å; A743-A831 HydrophobicContact CB-CB 4.15Å
744	S	94.7	Very high	95.4	Very high	28 Å²	28	22.7 Å²	22.7	20%	0.196	13%	0.13	C	C	.	.			trans	-55.5	129.7	174.5	-65.7	0	0	0	0	111.3	D742 G746 S747 Y827	D742-S744 PolarHBondContact O-N 2.85Å; D742-S744 WeakPolarHBondContact OD1-CB 3.41Å; D742-S744 PolarHBondContact OD1-N 2.62Å; D742-S744 PolarHBondContact OD1-OG 3.02Å; S744-G746 PolarHBondContact O-N 3.23Å; S744-G746 VanDerWaalsContact O-N 3.13Å; S744-S747 WeakPolarHBondContact O-CB 3.41Å; S744-S747 PolarHBondContact O-N 3.32Å; S744-S747 PolarHBondContact O-OG 2.85Å; S744-S747 VanDerWaalsContact O-OG 3.07Å; S744-Y827 WeakPolarHBondContact OG-CB 3.41Å
745	P	93.3	Very high	95.5	Very high	11 Å²	11	25.5 Å²	25.5	7%	0.071	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	120.2	177.4	-30	36.7	0	0	0	112.9	V789 L793 Y827 F863 Y867	P745-V789 HydrophobicContact CB-CG2 3.99Å; P745-V789 HydrophobicContact CG-CG2 4.15Å; P745-L793 HydrophobicContact CG-CD2 3.7Å; P745-Y827 HydrophobicContact CG-CE2 4.33Å; P745-F863 HydrophobicContact CG-CZ 4.5Å; P745-Y867 HydrophobicContact CB-CD1 4.07Å; P745-Y867 HydrophobicContact CB-CE1 3.51Å; P745-Y867 HydrophobicContact CB-CE2 4.04Å; P745-Y867 HydrophobicContact CG-CD2 4.47Å; P745-Y867 HydrophobicContact CG-CE1 4.34Å; P745-Y867 HydrophobicContact CG-CE2 4.31Å; P745-Y867 PolarHBondContact O-OH 2.83Å
746	G	90.5	Very high	95.5	Very high	31 Å²	31	24.6 Å²	24.6	32%	0.32	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-1.8	-177.5	0	0	0	0	0	116	S744 G777	S744-G746 PolarHBondContact O-N 3.23Å; S744-G746 VanDerWaalsContact O-N 3.13Å; G746-G777 PolarHBondContact N-O 3.02Å
747	S	92.9	Very high	95.3	Very high	27 Å²	27	25.4 Å²	25.4	19%	0.189	14%	0.136	C	C	.	.			trans	-80.2	179.3	175.8	82.5	0	0	0	0	112.8	D742 S744 S778 G779	D742-S747 VanDerWaalsContact OD2-CB 3.23Å; D742-S747 WeakPolarHBondContact OD2-CB 3.42Å; D742-S747 PolarHBondContact OD2-OG 2.74Å; S744-S747 WeakPolarHBondContact O-CB 3.41Å; S744-S747 PolarHBondContact O-N 3.32Å; S744-S747 PolarHBondContact O-OG 2.85Å; S744-S747 VanDerWaalsContact O-OG 3.07Å; S747-S778 WeakPolarHBondContact O-CA 3.23Å; S747-G779 PolarHBondContact O-N 2.97Å
748	Q	94.4	Very high	95.2	Very high	34 Å²	34	25.8 Å²	25.8	16%	0.159	14%	0.138	C	C	.	.			trans	-150.5	114	174.2	167.7	165.4	86.3	0	0	108.6	P573 V750 F780	P573-Q748 VanDerWaalsContact C-NE2 3.33Å; P573-Q748 PolarHBondContact O-NE2 2.85Å; P573-Q748 PolarHBondContact O-OE1 2.82Å; Q748-V750 WeakPolarHBondContact CG-O 3.46Å; Q748-F780 HydrophobicContact CB-CD2 3.92Å; Q748-F780 HydrophobicContact CB-CE2 4.05Å; Q748-F780 HydrophobicContact CG-CD2 4.41Å
749	L	95.4	Very high	95.1	Very high	25 Å²	25	26 Å²	26	13%	0.131	14%	0.139	C	C	.	.			trans	-94.2	-30	178	-170.6	62.5	0	0	0	111.6	H740 D742 T751 Q772 D774	H740-L749 VanDerWaalsContact O-CD2 3.27Å; H740-L749 WeakPolarHBondContact O-CD2 3.25Å; D742-L749 HydrophobicContact CB-CB 4.4Å; D742-L749 HydrophobicContact CB-CD1 4.29Å; D742-L749 HydrophobicContact CB-CD2 4.04Å; D742-L749 HydrophobicContact CB-CG 4.48Å; L749-T751 PolarHBondContact O-N 2.82Å; L749-Q772 HydrophobicContact CD2-CB 3.9Å; L749-Q772 HydrophobicContact CD2-CG 3.91Å; L749-Q772 HydrophobicContact CG-CB 4Å; L749-Q772 HydrophobicContact CG-CG 3.99Å; L749-D774 WeakPolarHBondContact CB-OD1 3.44Å; L749-D774 PolarHBondContact N-OD1 3.18Å; L749-D774 PolarHBondContact N-OD2 3.44Å
750	V	97.3	Very high	94.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.144	C	C	.	.			trans	-90.3	100.5	178.7	177.8	0	0	0	0	109.9	G574 T706 Q718 R720 Q748 Q772 D774	G574-V750 WeakPolarHBondContact CA-O 3.4Å; T706-V750 HydrophobicContact CG2-CG1 3.77Å; Q718-V750 HydrophobicContact CB-CB 4.05Å; Q718-V750 HydrophobicContact CB-CG1 3.81Å; Q718-V750 HydrophobicContact CB-CG2 4.39Å; R720-V750 HydrophobicContact CB-CG1 4.1Å; R720-V750 HydrophobicContact CB-CG2 4.15Å; Q748-V750 WeakPolarHBondContact CG-O 3.46Å; V750-Q772 HydrophobicContact CG2-CB 4.04Å; V750-D774 WeakPolarHBondContact CB-OD2 3.45Å; V750-D774 HydrophobicContact CG2-CB 4.45Å; V750-D774 PolarHBondContact N-OD2 2.82Å
751	T	96.4	Very high	94.8	Very high	25 Å²	25	26.2 Å²	26.2	15%	0.153	14%	0.138	C	C	.	.			trans	-140.9	147.2	-178.8	179.3	0	0	0	0	112.4	G574 F648 R720 L749 R753	G574-T751 PolarHBondContact O-OG1 2.95Å; F648-T751 VanDerWaalsContact CD2-OG1 3.24Å; F648-T751 WeakPolarHBondContact CD2-OG1 3.47Å; F648-T751 VanDerWaalsContact CE2-OG1 3.22Å; F648-T751 WeakPolarHBondContact CE2-OG1 3.42Å; R720-T751 PolarHBondContact NH1-O 2.9Å; R720-T751 PolarHBondContact NH2-O 3.2Å; L749-T751 PolarHBondContact O-N 2.82Å; T751-R753 HydrophobicContact CG2-CB 3.85Å; T751-R753 PolarHBondContact O-N 3Å; T751-R753 PolarHBondContact OG1-N 3.41Å
752	E	95.8	Very high	94.7	Very high	23 Å²	23	26.2 Å²	26.2	11%	0.107	14%	0.138	C	C	.	.	S	Bend	trans	-80.8	14.8	172.6	-61.8	-51.1	145.3	0	0	113.5	G574 E575 L647 G666 P667 T706 R720	G574-E752 PolarHBondContact O-N 3.26Å; E575-E752 HydrophobicContact CG-CG 4.37Å; L647-E752 HydrophobicContact CB-CB 3.96Å; L647-E752 HydrophobicContact CB-CG 4.39Å; L647-E752 HydrophobicContact CD1-CB 4.47Å; L647-E752 HydrophobicContact CD1-CG 4.15Å; G666-E752 CarbonylContact C-O 3.57Å; G666-E752 VanDerWaalsContact CA-O 3.24Å; G666-E752 WeakPolarHBondContact CA-O 3.48Å; P667-E752 WeakPolarHBondContact CA-O 3.35Å; P667-E752 HydrophobicContact CB-CB 4.43Å; T706-E752 VanDerWaalsContact CB-OE1 3.26Å; T706-E752 WeakPolarHBondContact CB-OE1 3.24Å; T706-E752 PolarHBondContact OG1-OE1 2.69Å; R720-E752 IonicContact NH2-OE2 2.85Å; R720-E752 PolarHBondContact NH2-OE2 3.34Å
753	R	95.8	Very high	94.8	Very high	98 Å²	98	24.6 Å²	24.6	37%	0.37	13%	0.129	S	C	.	.			trans	-68.2	137.6	167.3	-167.5	-176.9	179.3	102.5	-2.7	110.8	F648 T751	F648-R753 HydrophobicContact CB-CB 4.43Å; F648-R753 HydrophobicContact CD1-CB 4.41Å; F648-R753 HydrophobicContact CD1-CG 4.37Å; F648-R753 HydrophobicContact CD2-CB 3.78Å; F648-R753 HydrophobicContact CE2-CB 4.1Å; F648-R753 HydrophobicContact CG-CB 3.94Å; F648-R753 HydrophobicContact CG-CG 4.37Å; T751-R753 HydrophobicContact CG2-CB 3.85Å; T751-R753 PolarHBondContact O-N 3Å; T751-R753 PolarHBondContact OG1-N 3.41Å
754	F	94.4	Very high	94.8	Very high	18 Å²	18	23.9 Å²	23.9	8%	0.079	12%	0.124	C	C	.	.			trans	-72.3	124.3	169.2	178.2	-88.1	0	0	0	110.2	L665 P670 L692 L696 V756 W760	L665-F754 WeakPolarHBondContact O-CB 3.2Å; L665-F754 PolarHBondContact O-N 2.99Å; P670-F754 HydrophobicContact CG-CB 3.98Å; P670-F754 HydrophobicContact CG-CD1 3.91Å; P670-F754 HydrophobicContact CG-CG 4.12Å; L692-F754 HydrophobicContact CD2-CE1 3.96Å; L692-F754 HydrophobicContact CD2-CZ 4.24Å; L696-F754 HydrophobicContact CD1-CE2 3.87Å; L696-F754 HydrophobicContact CD1-CZ 3.75Å; L696-F754 HydrophobicContact CD2-CZ 4.39Å; F754-V756 HydrophobicContact CE1-CG2 3.77Å; F754-V756 HydrophobicContact CE2-CG2 4.19Å; F754-V756 HydrophobicContact CZ-CG2 3.42Å; F754-V756 VanDerWaalsContact CZ-CG2 3.42Å; F754-W760 HydrophobicContact CD2-CH2 4.45Å; F754-W760 AromaticContact CE2-CH2 3.85Å; F754-W760 HydrophobicContact CE2-CH2 3.85Å; F754-W760 HydrophobicContact CE2-CZ2 4.44Å
755	H	93.3	Very high	94.7	Very high	98 Å²	98	26 Å²	26	45%	0.454	13%	0.131	S	C	.	.			trans	-148.7	141.5	173	-170.5	-118	0	0	0	108.4	D757 W760	H755-D757 IonicContact CE1-OD2 2.83Å; H755-D757 IonicContact CG-OD2 2.65Å; H755-D757 IonicContact ND1-OD2 3.95Å; H755-D757 PolarHBondContact ND1-OD2 2.76Å; H755-W760 VanDerWaalsContact O-CE2 3.29Å; H755-W760 PolarHBondContact O-NE1 3.27Å; H755-W760 VanDerWaalsContact O-NE1 3.09Å
756	V	93	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.			trans	-117.9	118.3	177.4	177.4	0	0	0	0	107.5	I84 L89 Q90 F754 W760	I84-V756 HydrophobicContact CD1-CG1 3.63Å; L89-V756 HydrophobicContact CB-CB 4.46Å; L89-V756 HydrophobicContact CB-CG1 4.19Å; L89-V756 HydrophobicContact CD1-CG1 4.07Å; Q90-V756 PolarHBondContact NE2-O 3.22Å; F754-V756 HydrophobicContact CE1-CG2 3.77Å; F754-V756 HydrophobicContact CE2-CG2 4.19Å; F754-V756 HydrophobicContact CZ-CG2 3.42Å; F754-V756 VanDerWaalsContact CZ-CG2 3.42Å; V756-W760 HydrophobicContact CG1-CD2 4.43Å; V756-W760 HydrophobicContact CG1-CE3 4.19Å; V756-W760 HydrophobicContact CG2-CD2 4.28Å; V756-W760 HydrophobicContact CG2-CE3 3.95Å; V756-W760 HydrophobicContact CG2-CH2 4.19Å; V756-W760 HydrophobicContact CG2-CZ2 4.46Å; V756-W760 HydrophobicContact CG2-CZ3 3.92Å
757	D	92.6	Very high	94.8	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.128	13%	0.127	C	C	.	.			trans	-147.5	-170.4	-172	57.7	37	0	0	0	111.7	I84 H755 N759 W760 Y761	I84-D757 WeakPolarHBondContact CD1-O 3.39Å; H755-D757 IonicContact CE1-OD2 2.83Å; H755-D757 IonicContact CG-OD2 2.65Å; H755-D757 IonicContact ND1-OD2 3.95Å; H755-D757 PolarHBondContact ND1-OD2 2.76Å; D757-N759 PolarHBondContact O-N 3.15Å; D757-N759 WeakPolarHBondContact OD1-CB 3.31Å; D757-N759 VanDerWaalsContact OD1-CG 3.31Å; D757-N759 PolarHBondContact OD1-N 3.09Å; D757-N759 PolarHBondContact OD1-ND2 3.05Å; D757-N759 PolarHBondContact OD2-ND2 3.3Å; D757-W760 WeakPolarHBondContact O-CB 3.41Å; D757-W760 PolarHBondContact O-N 2.67Å; D757-W760 VanDerWaalsContact O-N 3.13Å; D757-Y761 PolarHBondContact O-N 2.92Å
758	W	95.1	Very high	94.9	Very high	10 Å²	10	26.8 Å²	26.8	4%	0.038	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-22.5	-177.5	-170.7	59.4	0	0	0	113.4	W760 Y761 L762 F823 Y945 M948 F952	W758-W760 VanDerWaalsContact C-N 3.29Å; W758-W760 PolarHBondContact O-N 3.33Å; W758-Y761 AromaticContact CD1-CD1 3.52Å; W758-Y761 AromaticContact NE1-CD1 3.42Å; W758-Y761 AromaticContact NE1-CE1 3.79Å; W758-Y761 PolarHBondContact O-N 3.32Å; W758-Y761 VanDerWaalsContact O-N 3.16Å; W758-L762 HydrophobicContact CD2-CD1 4.14Å; W758-L762 HydrophobicContact CD2-CG 4.18Å; W758-L762 HydrophobicContact CE3-CD1 3.91Å; W758-L762 HydrophobicContact CE3-CG 4.45Å; W758-L762 HydrophobicContact CH2-CD1 3.9Å; W758-L762 HydrophobicContact CH2-CD2 4.27Å; W758-L762 HydrophobicContact CH2-CG 4.46Å; W758-L762 HydrophobicContact CZ2-CD1 4.14Å; W758-L762 HydrophobicContact CZ2-CD2 3.78Å; W758-L762 HydrophobicContact CZ2-CG 4.19Å; W758-L762 HydrophobicContact CZ3-CD1 3.78Å; W758-L762 WeakPolarHBondContact O-CG 3.17Å; W758-L762 PolarHBondContact O-N 3.17Å; W758-F823 HydrophobicContact CE3-CE1 4.32Å; W758-F823 HydrophobicContact CE3-CE2 4.4Å; W758-F823 AromaticContact CE3-CZ 4Å; W758-F823 HydrophobicContact CE3-CZ 4Å; W758-F823 HydrophobicContact CZ3-CD1 4.22Å; W758-F823 AromaticContact CZ3-CE1 3.93Å; W758-F823 HydrophobicContact CZ3-CE1 3.93Å; W758-F823 HydrophobicContact CZ3-CE2 4.32Å; W758-F823 AromaticContact CZ3-CZ 3.99Å; W758-F823 HydrophobicContact CZ3-CZ 3.99Å; W758-Y945 HydrophobicContact CB-CD1 4.15Å; W758-Y945 HydrophobicContact CB-CD2 4.36Å; W758-Y945 HydrophobicContact CB-CE1 3.8Å; W758-Y945 HydrophobicContact CB-CE2 4.01Å; W758-Y945 HydrophobicContact CB-CG 4.43Å; W758-Y945 AromaticContact CD1-CD1 3.95Å; W758-Y945 AromaticContact CD1-CD2 3.8Å; W758-Y945 AromaticContact CD1-CG 3.61Å; W758-Y945 AromaticContact CD2-CD1 3.64Å; W758-Y945 HydrophobicContact CD2-CD1 3.64Å; W758-Y945 HydrophobicContact CD2-CE1 4.04Å; W758-Y945 HydrophobicContact CD2-CG 4.08Å; W758-Y945 AromaticContact CE2-CD1 3.93Å; W758-Y945 HydrophobicContact CE3-CD1 4.11Å; W758-Y945 HydrophobicContact CE3-CE1 4.32Å; W758-Y945 AromaticContact CG-CD1 3.66Å; W758-Y945 HydrophobicContact CG-CD1 3.66Å; W758-Y945 HydrophobicContact CG-CD2 4.08Å; W758-Y945 AromaticContact CG-CE1 3.83Å; W758-Y945 HydrophobicContact CG-CE1 3.83Å; W758-Y945 HydrophobicContact CG-CE2 4.23Å; W758-Y945 AromaticContact CG-CG 3.81Å; W758-Y945 HydrophobicContact CG-CG 3.81Å; W758-Y945 WeakPolarHBondContact CZ2-O 3.44Å; W758-Y945 AromaticContact NE1-CG 3.77Å; W758-M948 HydrophobicContact CE3-CE 4.37Å; W758-M948 HydrophobicContact CH2-CB 3.4Å; W758-M948 VanDerWaalsContact CH2-CB 3.4Å; W758-M948 HydrophobicContact CH2-CE 3.71Å; W758-M948 HydrophobicContact CH2-CG 4.23Å; W758-M948 HydrophobicContact CH2-SD 3.84Å; W758-M948 HydrophobicContact CZ2-CB 3.86Å; W758-M948 HydrophobicContact CZ3-CB 4.3Å; W758-M948 HydrophobicContact CZ3-CE 3.4Å; W758-M948 HydrophobicContact CZ3-SD 3.83Å; W758-F952 HydrophobicContact CH2-CD2 4.21Å; W758-F952 AromaticContact CH2-CE2 3.54Å; W758-F952 HydrophobicContact CH2-CE2 3.54Å; W758-F952 HydrophobicContact CH2-CZ 4.35Å; W758-F952 HydrophobicContact CZ3-CE2 4.05Å
759	N	96.1	Very high	95	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-38.5	174.6	-49.2	-59.8	0	0	0	110.6	F722 H740 D757 Y761 L762 A763 V770	F722-N759 HydrophobicContact CD2-CB 4.04Å; F722-N759 HydrophobicContact CE2-CB 4.09Å; H740-N759 PolarHBondContact ND1-ND2 2.94Å; H740-N759 PolarHBondContact ND1-OD1 3.36Å; D757-N759 PolarHBondContact O-N 3.15Å; D757-N759 WeakPolarHBondContact OD1-CB 3.31Å; D757-N759 VanDerWaalsContact OD1-CG 3.31Å; D757-N759 PolarHBondContact OD1-N 3.09Å; D757-N759 PolarHBondContact OD1-ND2 3.05Å; D757-N759 PolarHBondContact OD2-ND2 3.3Å; N759-Y761 VanDerWaalsContact C-N 3.34Å; N759-L762 PolarHBondContact O-N 2.88Å; N759-A763 PolarHBondContact O-N 3.45Å; N759-A763 VanDerWaalsContact O-N 3.11Å; N759-V770 HydrophobicContact CB-CB 4.25Å; N759-V770 HydrophobicContact CB-CG1 3.81Å; N759-V770 HydrophobicContact CB-CG2 4.44Å; N759-V770 WeakPolarHBondContact OD1-CG1 3.13Å
760	W	96.1	Very high	95.1	Very high	29 Å²	29	24 Å²	24	11%	0.11	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-36.5	174.3	-75	45.8	0	0	0	112.2	M79 I84 L696 I701 P702 F722 F754 H755 V756 D757 W758 S764	M79-W760 HydrophobicContact CE-CE3 3.78Å; M79-W760 HydrophobicContact CE-CZ3 4.26Å; M79-W760 HydrophobicContact SD-CB 4.09Å; M79-W760 HydrophobicContact SD-CE3 4.19Å; I84-W760 HydrophobicContact CD1-CB 4.49Å; L696-W760 HydrophobicContact CD2-CZ3 4.26Å; I701-W760 HydrophobicContact CB-CZ3 4.21Å; I701-W760 HydrophobicContact CG2-CZ3 4.03Å; P702-W760 HydrophobicContact CG-CB 4.15Å; P702-W760 HydrophobicContact CG-CD2 3.74Å; P702-W760 HydrophobicContact CG-CE3 4.05Å; P702-W760 HydrophobicContact CG-CG 3.81Å; F722-W760 AromaticContact CE1-CD1 3.96Å; F722-W760 AromaticContact CE1-NE1 3.5Å; F754-W760 HydrophobicContact CD2-CH2 4.45Å; F754-W760 AromaticContact CE2-CH2 3.85Å; F754-W760 HydrophobicContact CE2-CH2 3.85Å; F754-W760 HydrophobicContact CE2-CZ2 4.44Å; H755-W760 VanDerWaalsContact O-CE2 3.29Å; H755-W760 PolarHBondContact O-NE1 3.27Å; H755-W760 VanDerWaalsContact O-NE1 3.09Å; V756-W760 HydrophobicContact CG1-CD2 4.43Å; V756-W760 HydrophobicContact CG1-CE3 4.19Å; V756-W760 HydrophobicContact CG2-CD2 4.28Å; V756-W760 HydrophobicContact CG2-CE3 3.95Å; V756-W760 HydrophobicContact CG2-CH2 4.19Å; V756-W760 HydrophobicContact CG2-CZ2 4.46Å; V756-W760 HydrophobicContact CG2-CZ3 3.92Å; D757-W760 WeakPolarHBondContact O-CB 3.41Å; D757-W760 PolarHBondContact O-N 2.67Å; D757-W760 VanDerWaalsContact O-N 3.13Å; W758-W760 VanDerWaalsContact C-N 3.29Å; W758-W760 PolarHBondContact O-N 3.33Å; W760-S764 WeakPolarHBondContact O-CB 3.24Å; W760-S764 PolarHBondContact O-N 3.37Å
761	Y	95.8	Very high	95.2	Very high	13 Å²	13	23.9 Å²	23.9	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-68.1	-44.2	175.3	165.7	-96.3	0	0	0	112.4	M79 P81 D757 W758 N759 A763 S764 Q765 R766 E949	M79-Y761 WeakPolarHBondContact O-CD2 3.46Å; P81-Y761 HydrophobicContact CG-CD2 4.37Å; P81-Y761 HydrophobicContact CG-CE2 3.67Å; D757-Y761 PolarHBondContact O-N 2.92Å; W758-Y761 AromaticContact CD1-CD1 3.52Å; W758-Y761 AromaticContact NE1-CD1 3.42Å; W758-Y761 AromaticContact NE1-CE1 3.79Å; W758-Y761 PolarHBondContact O-N 3.32Å; W758-Y761 VanDerWaalsContact O-N 3.16Å; N759-Y761 VanDerWaalsContact C-N 3.34Å; Y761-A763 PolarHBondContact O-N 2.9Å; Y761-S764 PolarHBondContact O-N 2.93Å; Y761-Q765 HydrophobicContact CD2-CB 3.79Å; Y761-Q765 HydrophobicContact CD2-CG 4.36Å; Y761-Q765 HydrophobicContact CE2-CB 3.57Å; Y761-Q765 HydrophobicContact CE2-CG 3.64Å; Y761-Q765 WeakPolarHBondContact O-CB 3.17Å; Y761-Q765 PolarHBondContact O-N 2.9Å; Y761-R766 HydrophobicContact CE1-CG 4.37Å; Y761-E949 VanDerWaalsContact CE1-OE2 3.27Å; Y761-E949 WeakPolarHBondContact CE1-OE2 3.09Å; Y761-E949 PolarHBondContact OH-OE1 3.34Å; Y761-E949 PolarHBondContact OH-OE2 2.91Å
762	L	96.2	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-60.2	-45.1	176.7	-69.4	-180	0	0	0	111.5	V738 W758 N759 R766 S767 F768 V770 F952	V738-L762 HydrophobicContact CB-CD1 4.44Å; V738-L762 HydrophobicContact CG1-CD1 4.25Å; V738-L762 HydrophobicContact CG2-CD1 4.49Å; W758-L762 HydrophobicContact CD2-CD1 4.14Å; W758-L762 HydrophobicContact CD2-CG 4.18Å; W758-L762 HydrophobicContact CE3-CD1 3.91Å; W758-L762 HydrophobicContact CE3-CG 4.45Å; W758-L762 HydrophobicContact CH2-CD1 3.9Å; W758-L762 HydrophobicContact CH2-CD2 4.27Å; W758-L762 HydrophobicContact CH2-CG 4.46Å; W758-L762 HydrophobicContact CZ2-CD1 4.14Å; W758-L762 HydrophobicContact CZ2-CD2 3.78Å; W758-L762 HydrophobicContact CZ2-CG 4.19Å; W758-L762 HydrophobicContact CZ3-CD1 3.78Å; W758-L762 WeakPolarHBondContact O-CG 3.17Å; W758-L762 PolarHBondContact O-N 3.17Å; N759-L762 PolarHBondContact O-N 2.88Å; L762-R766 HydrophobicContact CD2-CG 4.02Å; L762-R766 CarbonylContact O-C 3.59Å; L762-R766 WeakPolarHBondContact O-CA 3.45Å; L762-R766 VanDerWaalsContact O-CB 3.31Å; L762-R766 WeakPolarHBondContact O-CB 3.24Å; L762-R766 PolarHBondContact O-N 2.98Å; L762-R766 VanDerWaalsContact O-N 3.16Å; L762-S767 PolarHBondContact O-N 2.96Å; L762-S767 VanDerWaalsContact O-N 3.09Å; L762-F768 HydrophobicContact CB-CB 4.34Å; L762-F768 HydrophobicContact CB-CD2 4.44Å; L762-F768 HydrophobicContact CD2-CD2 3.96Å; L762-F768 HydrophobicContact CD2-CE2 4.28Å; L762-F768 PolarHBondContact O-N 3.29Å; L762-F768 VanDerWaalsContact O-N 3.08Å; L762-V770 HydrophobicContact CB-CG2 3.67Å; L762-V770 HydrophobicContact CD1-CG2 4.09Å; L762-F952 HydrophobicContact CD1-CE2 4.42Å
763	A	96	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-69	-42.7	175.9	0	0	0	0	0	113.2	P702 F722 P725 N759 Y761 S767 F768	P702-A763 HydrophobicContact CB-CB 3.72Å; F722-A763 HydrophobicContact CB-CB 4.04Å; P725-A763 WeakPolarHBondContact CD-O 3.41Å; N759-A763 PolarHBondContact O-N 3.45Å; N759-A763 VanDerWaalsContact O-N 3.11Å; Y761-A763 PolarHBondContact O-N 2.9Å; A763-S767 WeakPolarHBondContact O-CA 3.46Å; A763-F768 VanDerWaalsContact CA-O 3.24Å; A763-F768 WeakPolarHBondContact CA-O 3.35Å
764	S	94.8	Very high	95.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-74.4	-45.8	-177.1	-175.5	0	0	0	0	113.6	R78 M79 A700 W760 Y761	R78-S764 WeakPolarHBondContact CD-O 3.34Å; R78-S764 VanDerWaalsContact CG-O 3.22Å; R78-S764 WeakPolarHBondContact CG-O 3.27Å; R78-S764 PolarHBondContact NH1-O 3.24Å; M79-S764 WeakPolarHBondContact CG-OG 3.37Å; M79-S764 PolarHBondContact N-OG 3.48Å; M79-S764 VanDerWaalsContact N-OG 3.08Å; A700-S764 WeakPolarHBondContact O-CB 3.42Å; A700-S764 PolarHBondContact O-OG 2.74Å; W760-S764 WeakPolarHBondContact O-CB 3.24Å; W760-S764 PolarHBondContact O-N 3.37Å; Y761-S764 PolarHBondContact O-N 2.93Å
765	Q	93.1	Very high	95.6	Very high	73 Å²	73	17 Å²	17	34%	0.341	8%	0.078	S	C	.	.	I	π-helix	trans	-96.1	-47.9	-172.9	-176.3	61.8	20.7	0	0	113	M79 Y761	M79-Q765 WeakPolarHBondContact O-CB 3.32Å; M79-Q765 PolarHBondContact O-OE1 3.49Å; Y761-Q765 HydrophobicContact CD2-CB 3.79Å; Y761-Q765 HydrophobicContact CD2-CG 4.36Å; Y761-Q765 HydrophobicContact CE2-CB 3.57Å; Y761-Q765 HydrophobicContact CE2-CG 3.64Å; Y761-Q765 WeakPolarHBondContact O-CB 3.17Å; Y761-Q765 PolarHBondContact O-N 2.9Å
766	R	92.5	Very high	95.7	Very high	67 Å²	67	12.9 Å²	12.9	25%	0.253	6%	0.058	S	C	.	.	I	π-helix	trans	-84.6	-12.9	-177.1	-57	-60.3	-59.5	-168.3	8.3	113.3	Y761 L762 F768 E949 D953	Y761-R766 HydrophobicContact CE1-CG 4.37Å; L762-R766 HydrophobicContact CD2-CG 4.02Å; L762-R766 CarbonylContact O-C 3.59Å; L762-R766 WeakPolarHBondContact O-CA 3.45Å; L762-R766 VanDerWaalsContact O-CB 3.31Å; L762-R766 WeakPolarHBondContact O-CB 3.24Å; L762-R766 PolarHBondContact O-N 2.98Å; L762-R766 VanDerWaalsContact O-N 3.16Å; R766-F768 HydrophobicContact CB-CD1 3.59Å; R766-F768 HydrophobicContact CB-CD2 3.97Å; R766-F768 HydrophobicContact CB-CE1 3.7Å; R766-F768 HydrophobicContact CB-CE2 4.06Å; R766-F768 HydrophobicContact CB-CG 3.76Å; R766-F768 HydrophobicContact CB-CZ 3.94Å; R766-F768 HydrophobicContact CG-CE2 4.37Å; R766-F768 HydrophobicContact CG-CZ 4.41Å; R766-F768 VanDerWaalsContact O-CD1 3.29Å; R766-F768 WeakPolarHBondContact O-CD1 3.26Å; R766-F768 PolarHBondContact O-N 2.7Å; R766-E949 WeakPolarHBondContact CD-OE1 3.48Å; R766-E949 IonicContact CZ-OE1 3.28Å; R766-E949 IonicContact NE-OE1 2.72Å; R766-E949 IonicContact NH1-OE1 3.63Å; R766-E949 PolarHBondContact NH1-OE1 3.22Å; R766-D953 IonicContact CZ-OD1 2.68Å; R766-D953 IonicContact CZ-OD2 3.11Å; R766-D953 IonicContact NE-OD1 3.16Å; R766-D953 IonicContact NH1-OD2 3.14Å; R766-D953 IonicContact NH2-OD1 2.76Å; R766-D953 PolarHBondContact NH2-OD1 3.17Å; R766-D953 IonicContact NH2-OD2 2.74Å; R766-D953 PolarHBondContact NH2-OD2 2.98Å
767	S	93	Very high	95.7	Very high	8 Å²	8	13 Å²	13	6%	0.056	6%	0.059	C	C	.	.			trans	57.1	31.9	-170.8	-43.7	0	0	0	0	112.9	R78 P724 F735 L762 A763	R78-S767 PolarHBondContact NH1-OG 3.36Å; P724-S767 WeakPolarHBondContact CG-O 3.49Å; F735-S767 VanDerWaalsContact CD1-O 3.26Å; F735-S767 WeakPolarHBondContact CD1-O 3.49Å; L762-S767 PolarHBondContact O-N 2.96Å; L762-S767 VanDerWaalsContact O-N 3.09Å; A763-S767 WeakPolarHBondContact O-CA 3.46Å
768	F	95.5	Very high	95.9	Very high	11 Å²	11	12.2 Å²	12.2	5%	0.048	6%	0.056	C	C	.	.			trans	-84.5	143	173.8	-63	-4	0	0	0	109.7	P736 V738 L762 A763 R766 F952 F956	P736-F768 HydrophobicContact CB-CD1 4.48Å; P736-F768 HydrophobicContact CG-CB 4.48Å; P736-F768 HydrophobicContact CG-CD1 3.35Å; P736-F768 HydrophobicContact CG-CE1 3.72Å; P736-F768 HydrophobicContact CG-CG 4.04Å; V738-F768 HydrophobicContact CG2-CD2 3.78Å; V738-F768 HydrophobicContact CG2-CE2 4.45Å; L762-F768 HydrophobicContact CB-CB 4.34Å; L762-F768 HydrophobicContact CB-CD2 4.44Å; L762-F768 HydrophobicContact CD2-CD2 3.96Å; L762-F768 HydrophobicContact CD2-CE2 4.28Å; L762-F768 PolarHBondContact O-N 3.29Å; L762-F768 VanDerWaalsContact O-N 3.08Å; A763-F768 VanDerWaalsContact CA-O 3.24Å; A763-F768 WeakPolarHBondContact CA-O 3.35Å; R766-F768 HydrophobicContact CB-CD1 3.59Å; R766-F768 HydrophobicContact CB-CD2 3.97Å; R766-F768 HydrophobicContact CB-CE1 3.7Å; R766-F768 HydrophobicContact CB-CE2 4.06Å; R766-F768 HydrophobicContact CB-CG 3.76Å; R766-F768 HydrophobicContact CB-CZ 3.94Å; R766-F768 HydrophobicContact CG-CE2 4.37Å; R766-F768 HydrophobicContact CG-CZ 4.41Å; R766-F768 VanDerWaalsContact O-CD1 3.29Å; R766-F768 WeakPolarHBondContact O-CD1 3.26Å; R766-F768 PolarHBondContact O-N 2.7Å; F768-F952 HydrophobicContact CE2-CB 4.3Å; F768-F952 HydrophobicContact CE2-CD2 4.42Å; F768-F956 HydrophobicContact CD2-CE2 4.32Å; F768-F956 HydrophobicContact CE1-CE2 4.44Å; F768-F956 AromaticContact CE2-CE2 3.89Å; F768-F956 HydrophobicContact CE2-CE2 3.89Å; F768-F956 HydrophobicContact CZ-CD2 4.15Å; F768-F956 AromaticContact CZ-CE2 3.94Å; F768-F956 HydrophobicContact CZ-CE2 3.94Å
769	I	97.3	Very high	95.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.6	167.5	-66.9	171.5	0	0	0	107.6	L721 L723 M727 F735 P736 L737 V738 F814 I815	L721-I769 HydrophobicContact CD2-CG2 4.32Å; L723-I769 HydrophobicContact CD2-CD1 4.16Å; L723-I769 HydrophobicContact CD2-CG1 4.04Å; L723-I769 HydrophobicContact CD2-CG2 4.1Å; M727-I769 HydrophobicContact CE-CD1 4.35Å; F735-I769 HydrophobicContact CB-CD1 3.86Å; F735-I769 HydrophobicContact CB-CG1 3.97Å; P736-I769 PolarHBondContact O-N 3.27Å; L737-I769 CarbonylContact C-O 3.33Å; L737-I769 VanDerWaalsContact CA-O 3.32Å; L737-I769 WeakPolarHBondContact CA-O 3.05Å; L737-I769 HydrophobicContact CD1-CG2 4.03Å; L737-I769 HydrophobicContact CG-CG2 4.36Å; V738-I769 PolarHBondContact N-O 3.18Å; I769-F814 HydrophobicContact CD1-CD2 3.51Å; I769-F814 HydrophobicContact CD1-CE2 3.93Å; I769-I815 HydrophobicContact CD1-CG1 3.92Å
770	V	98.1	Very high	95.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.8	174.5	-171.5	0	0	0	0	110.1	L721 F722 V738 H740 N759 L762	L721-V770 CarbonylContact C-O 3.55Å; L721-V770 WeakPolarHBondContact CA-O 3Å; F722-V770 HydrophobicContact CB-CB 4.31Å; F722-V770 HydrophobicContact CD2-CB 4.17Å; F722-V770 HydrophobicContact CD2-CG1 4.45Å; F722-V770 PolarHBondContact N-O 2.9Å; F722-V770 PolarHBondContact O-N 2.83Å; F722-V770 VanDerWaalsContact O-N 3.09Å; V738-V770 VanDerWaalsContact O-CA 3.31Å; V738-V770 WeakPolarHBondContact O-CA 3.49Å; H740-V770 HydrophobicContact CB-CG1 4.32Å; N759-V770 HydrophobicContact CB-CB 4.25Å; N759-V770 HydrophobicContact CB-CG1 3.81Å; N759-V770 HydrophobicContact CB-CG2 4.44Å; N759-V770 WeakPolarHBondContact OD1-CG1 3.13Å; L762-V770 HydrophobicContact CB-CG2 3.67Å; L762-V770 HydrophobicContact CD1-CG2 4.09Å
771	A	98.4	Very high	95.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.9	178.7	0	0	0	0	0	111.9	R720 L721 L737 V738 L739 H740 L808	R720-A771 CarbonylContact O-C 3.55Å; R720-A771 WeakPolarHBondContact O-CA 3.37Å; L721-A771 HydrophobicContact CD2-CB 3.69Å; L737-A771 HydrophobicContact CD1-CB 4.15Å; L737-A771 HydrophobicContact CD2-CB 4.25Å; L737-A771 HydrophobicContact CG-CB 4.41Å; V738-A771 PolarHBondContact O-N 2.83Å; L739-A771 HydrophobicContact CD1-CB 3.88Å; H740-A771 PolarHBondContact N-O 3.18Å; A771-L808 HydrophobicContact CB-CD1 4.31Å
772	Q	98.4	Very high	95.2	Very high	10 Å²	10	14.1 Å²	14.1	5%	0.047	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.7	167.6	-63.3	178.7	-57.7	0	0	108	V719 R720 F722 H740 L749 V750	V719-Q772 WeakPolarHBondContact CA-O 3.26Å; R720-Q772 HydrophobicContact CB-CB 4.27Å; R720-Q772 PolarHBondContact N-O 3.24Å; R720-Q772 PolarHBondContact O-N 3.14Å; F722-Q772 HydrophobicContact CE2-CG 4.3Å; F722-Q772 VanDerWaalsContact CE2-OE1 3.3Å; H740-Q772 HydrophobicContact CB-CG 4.28Å; L749-Q772 HydrophobicContact CD2-CB 3.9Å; L749-Q772 HydrophobicContact CD2-CG 3.91Å; L749-Q772 HydrophobicContact CG-CB 4Å; L749-Q772 HydrophobicContact CG-CG 3.99Å; V750-Q772 HydrophobicContact CG2-CB 4.04Å
773	I	98.2	Very high	95	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.7	-175.8	-55.9	166.1	0	0	0	109.3	A717 Q718 V719 L739 Q801 V804 L808	A717-I773 HydrophobicContact CB-CG2 4.47Å; Q718-I773 WeakPolarHBondContact O-CA 3.12Å; V719-I773 HydrophobicContact CG1-CG1 4.45Å; V719-I773 HydrophobicContact CG2-CG1 4.45Å; L739-I773 HydrophobicContact CD1-CD1 3.57Å; L739-I773 HydrophobicContact CD1-CG1 3.9Å; L739-I773 HydrophobicContact CD2-CD1 4.39Å; I773-Q801 PolarHBondContact O-NE2 2.97Å; I773-V804 HydrophobicContact CD1-CB 3.97Å; I773-V804 HydrophobicContact CD1-CG1 3.64Å; I773-V804 HydrophobicContact CG1-CG1 3.95Å; I773-V804 HydrophobicContact CG2-CB 4.07Å; I773-V804 HydrophobicContact CG2-CG1 3.97Å; I773-V804 HydrophobicContact CG2-CG2 4.21Å; I773-L808 HydrophobicContact CD1-CD1 4.46Å
774	D	98.1	Very high	94.8	Very high	3 Å²	3	17 Å²	17	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109	167.2	-75.3	-29.4	0	0	0	109	A717 Q718 L749 V750	A717-D774 CarbonylContact C-O 3.6Å; A717-D774 WeakPolarHBondContact CA-O 3.24Å; A717-D774 WeakPolarHBondContact CB-O 3.37Å; Q718-D774 HydrophobicContact CB-CB 4.44Å; Q718-D774 PolarHBondContact N-O 3.49Å; Q718-D774 PolarHBondContact O-N 3.23Å; L749-D774 WeakPolarHBondContact CB-OD1 3.44Å; L749-D774 PolarHBondContact N-OD1 3.18Å; L749-D774 PolarHBondContact N-OD2 3.44Å; V750-D774 WeakPolarHBondContact CB-OD2 3.45Å; V750-D774 HydrophobicContact CG2-CB 4.45Å; V750-D774 PolarHBondContact N-OD2 2.82Å
775	G	96.1	Very high	94.7	Very high	6 Å²	6	17.4 Å²	17.4	6%	0.062	9%	0.085	C	C	.	.			trans	-102.8	-160.1	176.5	0	0	0	0	0	113	S778	G775-S778 WeakPolarHBondContact O-CB 3.4Å; G775-S778 PolarHBondContact O-N 3.07Å; G775-S778 PolarHBondContact O-OG 3.29Å
776	R	95.8	Very high	94.6	Very high	11 Å²	11	14.6 Å²	14.6	4%	0.042	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	142.2	171.6	-72.5	171.5	-71.8	168.8	-1	110.9	I711 F715 Q788 V796 E799 D800	I711-R776 HydrophobicContact CD1-CG 4.06Å; F715-R776 HydrophobicContact CB-CG 4.33Å; F715-R776 HydrophobicContact CD2-CG 4.02Å; F715-R776 HydrophobicContact CE2-CG 4.47Å; F715-R776 HydrophobicContact CG-CG 4.1Å; R776-Q788 HydrophobicContact CB-CB 4.06Å; R776-Q788 HydrophobicContact CB-CG 4.35Å; R776-Q788 HydrophobicContact CG-CB 4.37Å; R776-Q788 HydrophobicContact CG-CG 4.16Å; R776-V796 HydrophobicContact CB-CG1 3.66Å; R776-V796 HydrophobicContact CG-CG1 4.34Å; R776-V796 PolarHBondContact NH2-O 3.37Å; R776-E799 IonicContact CZ-OE2 2.83Å; R776-E799 IonicContact NH1-OE2 2.94Å; R776-E799 PolarHBondContact NH1-OE2 3.47Å; R776-E799 IonicContact NH2-OE2 3.01Å; R776-E799 PolarHBondContact NH2-OE2 2.83Å; R776-D800 WeakPolarHBondContact CB-OD2 3.26Å; R776-D800 VanDerWaalsContact CG-OD2 3.23Å; R776-D800 WeakPolarHBondContact CG-OD2 3.45Å; R776-D800 IonicContact CZ-OD1 3.26Å; R776-D800 VanDerWaalsContact CZ-OD1 3.28Å; R776-D800 IonicContact CZ-OD2 3.41Å; R776-D800 PolarHBondContact N-OD2 2.86Å; R776-D800 VanDerWaalsContact NE-CG 3.32Å; R776-D800 IonicContact NE-OD1 2.82Å; R776-D800 PolarHBondContact NE-OD1 3.48Å; R776-D800 VanDerWaalsContact NE-OD1 3.11Å; R776-D800 IonicContact NE-OD2 3.29Å; R776-D800 PolarHBondContact NE-OD2 3.09Å; R776-D800 IonicContact NH2-OD1 3.62Å; R776-D800 PolarHBondContact NH2-OD1 2.99Å; R776-D800 IonicContact NH2-OD2 2.7Å
777	G	93.6	Very high	94.6	Very high	3 Å²	3	11.9 Å²	11.9	3%	0.031	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-18.7	-171.4	0	0	0	0	0	114.9	G746 L785	G746-G777 PolarHBondContact N-O 3.02Å; G777-L785 PolarHBondContact N-O 3.08Å
778	S	95	Very high	94.6	Very high	7 Å²	7	13.8 Å²	13.8	5%	0.049	7%	0.07	C	C	.	.			trans	-68.5	163.8	176.1	72.4	0	0	0	0	113.3	S747 G775 L785	S747-S778 WeakPolarHBondContact O-CA 3.23Å; G775-S778 WeakPolarHBondContact O-CB 3.4Å; G775-S778 PolarHBondContact O-N 3.07Å; G775-S778 PolarHBondContact O-OG 3.29Å; S778-L785 WeakPolarHBondContact OG-CD2 3.14Å
779	G	91.4	Very high	94.5	Very high	5 Å²	5	13.3 Å²	13.3	5%	0.052	7%	0.068	C	C	.	.	S	Bend	trans	-85.9	171.8	176.8	0	0	0	0	0	114.5	S747 Q781	S747-G779 PolarHBondContact O-N 2.97Å; G779-Q781 PolarHBondContact O-N 2.92Å; G779-Q781 VanDerWaalsContact O-N 3.08Å
780	F	92.1	Very high	94.3	Very high	58 Å²	58	15.4 Å²	15.4	25%	0.254	8%	0.078	S	C	.	.	S	Bend	trans	65.2	9.2	168.7	-45	-74.4	0	0	0	116.6	E549 T551 A568 P573 R576 Q748	E549-F780 VanDerWaalsContact OE2-CA 3.25Å; E549-F780 WeakPolarHBondContact OE2-CA 3.31Å; T551-F780 HydrophobicContact CG2-CD1 3.55Å; T551-F780 HydrophobicContact CG2-CE1 3.74Å; A568-F780 HydrophobicContact CB-CB 4.25Å; P573-F780 HydrophobicContact CB-CB 4.2Å; P573-F780 WeakPolarHBondContact CB-O 3.33Å; R576-F780 VanDerWaalsContact NH2-CG 3.27Å; Q748-F780 HydrophobicContact CB-CD2 3.92Å; Q748-F780 HydrophobicContact CB-CE2 4.05Å; Q748-F780 HydrophobicContact CG-CD2 4.41Å
781	Q	92.5	Very high	93.9	Very high	31 Å²	31	16.4 Å²	16.4	15%	0.145	9%	0.088	C	C	.	.	S	Bend	trans	-112.9	15.1	173.5	-68.9	-172.6	-121.3	0	0	113.3	Y527 P573 H716 G779 L785	Y527-Q781 WeakPolarHBondContact CE1-O 3.32Å; P573-Q781 HydrophobicContact CB-CG 3.56Å; P573-Q781 HydrophobicContact CG-CG 3.64Å; H716-Q781 PolarHBondContact O-NE2 3.37Å; G779-Q781 PolarHBondContact O-N 2.92Å; G779-Q781 VanDerWaalsContact O-N 3.08Å; Q781-L785 HydrophobicContact CB-CB 4.48Å; Q781-L785 HydrophobicContact CB-CD1 3.93Å; Q781-L785 HydrophobicContact CB-CD2 4.25Å; Q781-L785 HydrophobicContact CB-CG 4.46Å
782	G	92.3	Very high	93.6	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	11%	0.111	C	C	.	.			trans	91.4	155.8	-178.4	0	0	0	0	0	114.4	Y527 E549 L784 L785 R786	Y527-G782 VanDerWaalsContact CD1-CA 3.5Å; E549-G782 WeakPolarHBondContact OE2-CA 3.4Å; E549-G782 PolarHBondContact OE2-N 3.22Å; G782-L784 VanDerWaalsContact C-N 3.28Å; G782-L784 PolarHBondContact O-N 2.99Å; G782-L785 PolarHBondContact O-N 3.28Å; G782-R786 PolarHBondContact O-N 2.89Å
783	E	92.1	Very high	93.4	Very high	10 Å²	10	21.3 Å²	21.3	5%	0.047	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-35.6	-172.1	-68	-72	-173.7	0	0	112.8	P518 H526 R528 L785 R786 T787	P518-E783 HydrophobicContact CB-CG 4.17Å; P518-E783 HydrophobicContact CG-CG 4.23Å; H526-E783 HydrophobicContact CB-CB 4.19Å; H526-E783 HydrophobicContact CB-CG 4.24Å; H526-E783 WeakPolarHBondContact O-CB 3.28Å; H526-E783 PolarHBondContact O-N 2.96Å; R528-E783 IonicContact CZ-OE1 3.6Å; R528-E783 VanDerWaalsContact CZ-OE1 3.32Å; R528-E783 IonicContact NE-OE1 3.95Å; R528-E783 PolarHBondContact NE-OE1 3.35Å; R528-E783 IonicContact NH2-OE1 3.66Å; R528-E783 PolarHBondContact NH2-OE1 3.05Å; E783-L785 VanDerWaalsContact C-N 3.31Å; E783-L785 PolarHBondContact O-N 2.98Å; E783-R786 PolarHBondContact O-N 2.84Å; E783-R786 IonicContact OE1-NE 2.83Å; E783-R786 IonicContact OE1-NH2 2.88Å; E783-R786 IonicContact OE2-CZ 3.05Å; E783-R786 IonicContact OE2-NE 3.78Å; E783-R786 PolarHBondContact OE2-NE 2.83Å; E783-R786 IonicContact OE2-NH2 3.63Å; E783-R786 PolarHBondContact OE2-NH2 2.7Å; E783-T787 WeakPolarHBondContact O-CG2 3.49Å; E783-T787 PolarHBondContact O-N 2.92Å; E783-T787 PolarHBondContact O-OG1 2.89Å
784	L	91.7	Very high	93.1	Very high	51 Å²	51	21.2 Å²	21.2	27%	0.267	11%	0.109	S	C	.	.	H	α-helix	trans	-63.9	-34.7	-177.3	-179.2	63.1	0	0	0	112.7	F715 G782 Q788	F715-L784 HydrophobicContact CE1-CD2 4.42Å; F715-L784 HydrophobicContact CE1-CG 4.05Å; F715-L784 HydrophobicContact CZ-CG 4.08Å; G782-L784 VanDerWaalsContact C-N 3.28Å; G782-L784 PolarHBondContact O-N 2.99Å; L784-Q788 WeakPolarHBondContact O-CG 3.26Å; L784-Q788 PolarHBondContact O-NE2 2.82Å
785	L	92.8	Very high	92.9	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-78.5	-41.5	175.2	-177.6	152.3	0	0	0	110.7	F715 G777 S778 Q781 G782 E783 T787 Q788	F715-L785 HydrophobicContact CD1-CB 3.99Å; F715-L785 HydrophobicContact CD1-CD1 4.02Å; F715-L785 HydrophobicContact CD1-CG 4.14Å; F715-L785 HydrophobicContact CE1-CB 3.96Å; G777-L785 PolarHBondContact N-O 3.08Å; S778-L785 WeakPolarHBondContact OG-CD2 3.14Å; Q781-L785 HydrophobicContact CB-CB 4.48Å; Q781-L785 HydrophobicContact CB-CD1 3.93Å; Q781-L785 HydrophobicContact CB-CD2 4.25Å; Q781-L785 HydrophobicContact CB-CG 4.46Å; G782-L785 PolarHBondContact O-N 3.28Å; E783-L785 VanDerWaalsContact C-N 3.31Å; E783-L785 PolarHBondContact O-N 2.98Å; L785-T787 PolarHBondContact O-N 2.78Å; L785-Q788 PolarHBondContact O-N 3.32Å
786	R	92.3	Very high	92.8	Very high	15 Å²	15	23.9 Å²	23.9	6%	0.057	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-41.7	-178.8	-166.2	-178.7	73.3	103.5	3.9	113	W458 G782 E783	W458-R786 HydrophobicContact CH2-CG 4.13Å; W458-R786 WeakPolarHBondContact CH2-O 3.47Å; W458-R786 HydrophobicContact CZ2-CG 4.08Å; W458-R786 PolarHBondContact O-NH2 2.68Å; G782-R786 PolarHBondContact O-N 2.89Å; E783-R786 PolarHBondContact O-N 2.84Å; E783-R786 IonicContact OE1-NE 2.83Å; E783-R786 IonicContact OE1-NH2 2.88Å; E783-R786 IonicContact OE2-CZ 3.05Å; E783-R786 IonicContact OE2-NE 3.78Å; E783-R786 PolarHBondContact OE2-NE 2.83Å; E783-R786 IonicContact OE2-NH2 3.63Å; E783-R786 PolarHBondContact OE2-NH2 2.7Å
787	T	92.9	Very high	92.8	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.055	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-85.1	-3.9	-174.1	69.4	0	0	0	0	115.3	N455 W458 E783 L785 V789 H790	N455-T787 PolarHBondContact O-OG1 3.17Å; W458-T787 HydrophobicContact CZ3-CG2 4.32Å; E783-T787 WeakPolarHBondContact O-CG2 3.49Å; E783-T787 PolarHBondContact O-N 2.92Å; E783-T787 PolarHBondContact O-OG1 2.89Å; L785-T787 PolarHBondContact O-N 2.78Å; T787-V789 PolarHBondContact O-N 2.85Å; T787-V789 VanDerWaalsContact O-N 3.11Å; T787-H790 VanDerWaalsContact O-CB 3.25Å; T787-H790 WeakPolarHBondContact O-CB 3.44Å; T787-H790 PolarHBondContact O-N 3.44Å
788	Q	93.1	Very high	93	Very high	48 Å²	48	23.6 Å²	23.6	22%	0.224	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-59.5	-27.9	-176	-66.1	-59.2	-53.2	0	0	114.4	F715 R776 L784 L785 H790 V796	F715-Q788 HydrophobicContact CE2-CG 4.16Å; F715-Q788 HydrophobicContact CZ-CG 3.88Å; R776-Q788 HydrophobicContact CB-CB 4.06Å; R776-Q788 HydrophobicContact CB-CG 4.35Å; R776-Q788 HydrophobicContact CG-CB 4.37Å; R776-Q788 HydrophobicContact CG-CG 4.16Å; L784-Q788 WeakPolarHBondContact O-CG 3.26Å; L784-Q788 PolarHBondContact O-NE2 2.82Å; L785-Q788 PolarHBondContact O-N 3.32Å; Q788-H790 VanDerWaalsContact C-N 3.3Å; Q788-V796 HydrophobicContact CB-CG1 3.86Å
789	V	92.8	Very high	93	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-78.8	-8.2	178.8	-63.5	0	0	0	0	113.8	P745 T787 G791 K792 L793 V796 E797	P745-V789 HydrophobicContact CB-CG2 3.99Å; P745-V789 HydrophobicContact CG-CG2 4.15Å; T787-V789 PolarHBondContact O-N 2.85Å; T787-V789 VanDerWaalsContact O-N 3.11Å; V789-G791 PolarHBondContact O-N 2.9Å; V789-K792 CarbonylContact O-C 3.5Å; V789-K792 WeakPolarHBondContact O-CA 3.38Å; V789-K792 PolarHBondContact O-N 2.71Å; V789-L793 HydrophobicContact CB-CD2 4.15Å; V789-L793 HydrophobicContact CG2-CD2 4.39Å; V789-L793 PolarHBondContact O-N 3.24Å; V789-V796 HydrophobicContact CG1-CB 4.27Å; V789-V796 HydrophobicContact CG1-CG1 4.39Å; V789-E797 HydrophobicContact CG1-CB 4.29Å
790	H	92.4	Very high	93.3	Very high	44 Å²	44	26.3 Å²	26.3	20%	0.204	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	127.4	-179.8	179	-102.3	0	0	0	111.6	D456 T787 Q788 K792 R866 P869	D456-H790 PolarHBondContact O-CD2 2.95Å; D456-H790 PolarHBondContact O-CE1 3.14Å; D456-H790 PolarHBondContact O-ND1 3.14Å; D456-H790 PolarHBondContact O-NE2 3.43Å; T787-H790 VanDerWaalsContact O-CB 3.25Å; T787-H790 WeakPolarHBondContact O-CB 3.44Å; T787-H790 PolarHBondContact O-N 3.44Å; Q788-H790 VanDerWaalsContact C-N 3.3Å; H790-K792 PolarHBondContact O-N 2.65Å; H790-R866 PolarHBondContact CD2-O 3.36Å; H790-P869 WeakPolarHBondContact NE2-CG 3.42Å
791	G	90.3	Very high	93.6	Very high	22 Å²	22	23.7 Å²	23.7	23%	0.227	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	10	-172.1	0	0	0	0	0	114.8	V789 Y867	V789-G791 PolarHBondContact O-N 2.9Å; G791-Y867 WeakPolarHBondContact CA-O 3.43Å; G791-Y867 PolarHBondContact N-O 3.29Å
792	K	92.2	Very high	93.8	Very high	109 Å²	109	23.1 Å²	23.1	47%	0.474	12%	0.12	S	C	.	.			trans	-145	25.2	-164.7	-62.9	179.1	-172.3	166.6	0	114.6	V789 H790 G794 T795 V796	V789-K792 CarbonylContact O-C 3.5Å; V789-K792 WeakPolarHBondContact O-CA 3.38Å; V789-K792 PolarHBondContact O-N 2.71Å; H790-K792 PolarHBondContact O-N 2.65Å; K792-G794 PolarHBondContact O-N 2.89Å; K792-T795 PolarHBondContact O-N 2.83Å; K792-T795 PolarHBondContact O-OG1 3.33Å; K792-V796 HydrophobicContact CB-CG2 3.93Å; K792-V796 HydrophobicContact CD-CG2 3.87Å
793	L	93.1	Very high	94	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	138.4	178.2	-62.1	-169.3	0	0	0	111.8	P745 V789 Y827 Y830 F856 F863 Y867 I868 A881	P745-L793 HydrophobicContact CG-CD2 3.7Å; V789-L793 HydrophobicContact CB-CD2 4.15Å; V789-L793 HydrophobicContact CG2-CD2 4.39Å; V789-L793 PolarHBondContact O-N 3.24Å; L793-Y827 HydrophobicContact CD1-CE2 4.27Å; L793-Y830 PolarHBondContact O-OH 2.81Å; L793-F856 HydrophobicContact CB-CE2 4.31Å; L793-F856 HydrophobicContact CB-CZ 4.49Å; L793-F856 HydrophobicContact CD1-CD1 4.18Å; L793-F856 HydrophobicContact CD1-CD2 4.43Å; L793-F856 HydrophobicContact CD1-CE1 3.93Å; L793-F856 HydrophobicContact CD1-CE2 4.19Å; L793-F856 HydrophobicContact CD1-CG 4.43Å; L793-F856 HydrophobicContact CD1-CZ 3.94Å; L793-F863 HydrophobicContact CD1-CE1 4.25Å; L793-Y867 HydrophobicContact CD1-CD2 4.31Å; L793-Y867 HydrophobicContact CD1-CG 4.3Å; L793-Y867 HydrophobicContact CD2-CG 4.17Å; L793-I868 HydrophobicContact CB-CD1 4.46Å; L793-I868 HydrophobicContact CD1-CD1 4.02Å; L793-I868 HydrophobicContact CD1-CG1 4.11Å; L793-I868 HydrophobicContact CG-CD1 4.32Å; L793-I868 HydrophobicContact CG-CG1 4.21Å; L793-A881 WeakPolarHBondContact O-CB 3.49Å
794	G	92.8	Very high	94.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	26.1	-177.7	0	0	0	0	0	115	K792 E797 Y830 M834	K792-G794 PolarHBondContact O-N 2.89Å; G794-E797 WeakPolarHBondContact CA-OE1 3.45Å; G794-E797 PolarHBondContact N-OE1 2.64Å; G794-E797 PolarHBondContact N-OE2 3Å; G794-Y830 VanDerWaalsContact CA-OH 3.25Å; G794-Y830 WeakPolarHBondContact CA-OH 3.44Å; G794-M834 WeakPolarHBondContact O-CG 3.36Å
795	T	93.8	Very high	94.5	Very high	53 Å²	53	22 Å²	22	33%	0.325	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	-54.9	-179.4	68	0	0	0	0	112.8	K792 E797 E799	K792-T795 PolarHBondContact O-N 2.83Å; K792-T795 PolarHBondContact O-OG1 3.33Å; T795-E797 PolarHBondContact N-OE2 2.93Å; T795-E799 VanDerWaalsContact O-CB 3.27Å; T795-E799 WeakPolarHBondContact O-CB 2.96Å; T795-E799 PolarHBondContact O-N 2.82Å
796	V	94.5	Very high	94.7	Very high	12 Å²	12	22.8 Å²	22.8	7%	0.073	13%	0.128	C	C	.	.	H	α-helix	trans	-75.1	-45.9	-172.2	173.3	0	0	0	0	111	R776 Q788 V789 K792 D800	R776-V796 HydrophobicContact CB-CG1 3.66Å; R776-V796 HydrophobicContact CG-CG1 4.34Å; R776-V796 PolarHBondContact NH2-O 3.37Å; Q788-V796 HydrophobicContact CB-CG1 3.86Å; V789-V796 HydrophobicContact CG1-CB 4.27Å; V789-V796 HydrophobicContact CG1-CG1 4.39Å; K792-V796 HydrophobicContact CB-CG2 3.93Å; K792-V796 HydrophobicContact CD-CG2 3.87Å; V796-D800 PolarHBondContact O-N 3.35Å
797	E	95.6	Very high	94.9	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.023	14%	0.143	C	C	.	.	H	α-helix	trans	-72.1	-35.1	175.8	77.1	-74.5	-153.5	0	0	111.3	A743 V789 G794 T795 D800 Q801 Y827	A743-E797 HydrophobicContact CB-CG 4.17Å; V789-E797 HydrophobicContact CG1-CB 4.29Å; G794-E797 WeakPolarHBondContact CA-OE1 3.45Å; G794-E797 PolarHBondContact N-OE1 2.64Å; G794-E797 PolarHBondContact N-OE2 3Å; T795-E797 PolarHBondContact N-OE2 2.93Å; E797-D800 PolarHBondContact O-N 3.28Å; E797-Q801 VanDerWaalsContact O-CG 3.24Å; E797-Q801 WeakPolarHBondContact O-CG 3.49Å; E797-Q801 PolarHBondContact O-N 2.96Å; E797-Y827 PolarHBondContact OE1-OH 2.8Å
798	V	96.9	Very high	95	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-67.6	-40.6	177.1	178.3	0	0	0	0	111	D800 Q801 L802 M834 M835	V798-D800 VanDerWaalsContact C-N 3.33Å; V798-D800 PolarHBondContact O-N 2.87Å; V798-Q801 PolarHBondContact O-N 3.41Å; V798-L802 HydrophobicContact CG1-CD1 4.21Å; V798-L802 WeakPolarHBondContact O-CB 3.49Å; V798-L802 WeakPolarHBondContact O-CG 3.49Å; V798-L802 PolarHBondContact O-N 3.43Å; V798-M834 HydrophobicContact CG1-CB 4.35Å; V798-M834 HydrophobicContact CG1-CG 4.17Å; V798-M834 HydrophobicContact CG2-CB 3.92Å; V798-M834 HydrophobicContact CG2-CG 3.92Å; V798-M835 HydrophobicContact CG1-CG 3.95Å
799	E	96.2	Very high	95.1	Very high	65 Å²	65	26 Å²	26	30%	0.304	14%	0.138	S	C	.	.	H	α-helix	trans	-59	-42.1	171.2	176.1	175.5	-116.1	0	0	111.8	R712 R776 T795 G803	R712-E799 IonicContact CZ-OE1 3.09Å; R712-E799 IonicContact NE-OE1 2.99Å; R712-E799 IonicContact NH1-OE1 2.67Å; R712-E799 PolarHBondContact NH1-OE1 2.77Å; R712-E799 IonicContact NH2-OE1 3.66Å; R776-E799 IonicContact CZ-OE2 2.83Å; R776-E799 IonicContact NH1-OE2 2.94Å; R776-E799 PolarHBondContact NH1-OE2 3.47Å; R776-E799 IonicContact NH2-OE2 3.01Å; R776-E799 PolarHBondContact NH2-OE2 2.83Å; T795-E799 VanDerWaalsContact O-CB 3.27Å; T795-E799 WeakPolarHBondContact O-CB 2.96Å; T795-E799 PolarHBondContact O-N 2.82Å; E799-G803 PolarHBondContact O-N 2.98Å
800	D	97.2	Very high	95.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-70.2	-44.1	178.9	-74.3	-15.5	0	0	0	112.6	I711 R776 V796 E797 V798 L802 G803 V804	I711-D800 HydrophobicContact CD1-CB 4.41Å; I711-D800 VanDerWaalsContact CD1-CG 3.41Å; I711-D800 WeakPolarHBondContact CD1-OD1 3.28Å; I711-D800 WeakPolarHBondContact CD1-OD2 3.27Å; R776-D800 WeakPolarHBondContact CB-OD2 3.26Å; R776-D800 VanDerWaalsContact CG-OD2 3.23Å; R776-D800 WeakPolarHBondContact CG-OD2 3.45Å; R776-D800 IonicContact CZ-OD1 3.26Å; R776-D800 VanDerWaalsContact CZ-OD1 3.28Å; R776-D800 IonicContact CZ-OD2 3.41Å; R776-D800 PolarHBondContact N-OD2 2.86Å; R776-D800 VanDerWaalsContact NE-CG 3.32Å; R776-D800 IonicContact NE-OD1 2.82Å; R776-D800 PolarHBondContact NE-OD1 3.48Å; R776-D800 VanDerWaalsContact NE-OD1 3.11Å; R776-D800 IonicContact NE-OD2 3.29Å; R776-D800 PolarHBondContact NE-OD2 3.09Å; R776-D800 IonicContact NH2-OD1 3.62Å; R776-D800 PolarHBondContact NH2-OD1 2.99Å; R776-D800 IonicContact NH2-OD2 2.7Å; V796-D800 PolarHBondContact O-N 3.35Å; E797-D800 PolarHBondContact O-N 3.28Å; V798-D800 VanDerWaalsContact C-N 3.33Å; V798-D800 PolarHBondContact O-N 2.87Å; D800-L802 PolarHBondContact O-N 3.46Å; D800-G803 PolarHBondContact O-N 2.86Å; D800-V804 WeakPolarHBondContact O-CB 3.47Å; D800-V804 WeakPolarHBondContact O-CG2 3.36Å; D800-V804 PolarHBondContact O-N 2.86Å
801	Q	97.8	Very high	95.2	Very high	3 Å²	3	33 Å²	33	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-48.2	176.7	-67.4	-72.3	-23.6	0	0	110.7	I773 E797 V798 L805 M835	I773-Q801 PolarHBondContact O-NE2 2.97Å; E797-Q801 VanDerWaalsContact O-CG 3.24Å; E797-Q801 WeakPolarHBondContact O-CG 3.49Å; E797-Q801 PolarHBondContact O-N 2.96Å; V798-Q801 PolarHBondContact O-N 3.41Å; Q801-L805 WeakPolarHBondContact O-CB 3.39Å; Q801-L805 PolarHBondContact O-N 2.96Å; Q801-M835 HydrophobicContact CB-CE 3.54Å; Q801-M835 HydrophobicContact CB-CG 4.28Å; Q801-M835 HydrophobicContact CB-SD 3.51Å; Q801-M835 VanDerWaalsContact CB-SD 3.51Å; Q801-M835 HydrophobicContact CG-SD 4.13Å
802	L	97.1	Very high	95.4	Very high	20 Å²	20	32.9 Å²	32.9	11%	0.105	17%	0.171	C	C	.	.	H	α-helix	trans	-67.4	-39.9	177.1	-72	172.9	0	0	0	112.6	V798 D800 L805 T806 M835 D839 L844	V798-L802 HydrophobicContact CG1-CD1 4.21Å; V798-L802 WeakPolarHBondContact O-CB 3.49Å; V798-L802 WeakPolarHBondContact O-CG 3.49Å; V798-L802 PolarHBondContact O-N 3.43Å; D800-L802 PolarHBondContact O-N 3.46Å; L802-L805 PolarHBondContact O-N 2.84Å; L802-T806 WeakPolarHBondContact O-CB 3.22Å; L802-T806 PolarHBondContact O-N 2.99Å; L802-T806 PolarHBondContact O-OG1 2.81Å; L802-M835 HydrophobicContact CD2-CB 4.1Å; L802-M835 HydrophobicContact CD2-CE 3.7Å; L802-M835 HydrophobicContact CD2-CG 4.38Å; L802-M835 HydrophobicContact CG-CB 4.31Å; L802-M835 HydrophobicContact CG-CE 4Å; L802-M835 HydrophobicContact CG-CG 4.19Å; L802-D839 HydrophobicContact CD1-CB 4.26Å; L802-D839 HydrophobicContact CD2-CB 3.85Å; L802-L844 HydrophobicContact CD2-CD1 4.45Å
803	G	96.2	Very high	95.4	Very high	39 Å²	39	35.9 Å²	35.9	40%	0.402	18%	0.184	S	C	.	.	H	α-helix	trans	-65.1	-44.1	179.3	0	0	0	0	0	112.9	E799 D800 T806 Y807	E799-G803 PolarHBondContact O-N 2.98Å; D800-G803 PolarHBondContact O-N 2.86Å; G803-T806 WeakPolarHBondContact O-CB 3.42Å; G803-T806 PolarHBondContact O-N 2.85Å; G803-Y807 PolarHBondContact O-N 3.07Å
804	V	97.4	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-70.6	-40.6	175.6	174.5	0	0	0	0	110.9	V709 I711 A717 V719 I773 D800 T806 Y807 L808	V709-V804 HydrophobicContact CB-CG2 4.36Å; V709-V804 HydrophobicContact CG1-CG2 4.23Å; V709-V804 HydrophobicContact CG2-CG1 4.39Å; I711-V804 HydrophobicContact CG2-CG2 3.64Å; A717-V804 HydrophobicContact CB-CG2 3.85Å; V719-V804 HydrophobicContact CG2-CG1 3.54Å; I773-V804 HydrophobicContact CD1-CB 3.97Å; I773-V804 HydrophobicContact CD1-CG1 3.64Å; I773-V804 HydrophobicContact CG1-CG1 3.95Å; I773-V804 HydrophobicContact CG2-CB 4.07Å; I773-V804 HydrophobicContact CG2-CG1 3.97Å; I773-V804 HydrophobicContact CG2-CG2 4.21Å; D800-V804 WeakPolarHBondContact O-CB 3.47Å; D800-V804 WeakPolarHBondContact O-CG2 3.36Å; D800-V804 PolarHBondContact O-N 2.86Å; V804-T806 VanDerWaalsContact C-N 3.29Å; V804-T806 PolarHBondContact O-N 3.46Å; V804-Y807 WeakPolarHBondContact O-CB 3.38Å; V804-Y807 PolarHBondContact O-N 3.16Å; V804-Y807 VanDerWaalsContact O-N 3.1Å; V804-L808 HydrophobicContact CG1-CD1 4.45Å; V804-L808 HydrophobicContact CG1-CG 4.45Å; V804-L808 WeakPolarHBondContact O-CG 3.12Å; V804-L808 PolarHBondContact O-N 2.59Å
805	L	97.3	Very high	95.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-38.5	175.3	-170.6	66.3	0	0	0	112.2	L737 L739 Q801 L802 L808 R809 I820 M835 V843 L844	L737-L805 HydrophobicContact CD2-CD1 3.73Å; L739-L805 HydrophobicContact CB-CD1 4.39Å; L739-L805 HydrophobicContact CD2-CD1 4.31Å; L739-L805 HydrophobicContact CD2-CD2 4.19Å; Q801-L805 WeakPolarHBondContact O-CB 3.39Å; Q801-L805 PolarHBondContact O-N 2.96Å; L802-L805 PolarHBondContact O-N 2.84Å; L805-L808 PolarHBondContact O-N 3Å; L805-R809 WeakPolarHBondContact O-CB 3.4Å; L805-R809 PolarHBondContact O-N 2.67Å; L805-I820 HydrophobicContact CD1-CG2 3.96Å; L805-I820 HydrophobicContact CD2-CG2 4.07Å; L805-I820 HydrophobicContact CG-CG2 4.25Å; L805-M835 HydrophobicContact CD2-CE 4.11Å; L805-V843 HydrophobicContact CB-CG1 4.4Å; L805-V843 HydrophobicContact CD2-CG1 3.62Å; L805-V843 HydrophobicContact CG-CG1 3.66Å; L805-L844 HydrophobicContact CD2-CD2 3.74Å; L805-L844 HydrophobicContact CD2-CG 4.17Å
806	T	96.3	Very high	95.4	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.135	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-47.1	171.2	-57.4	0	0	0	0	111.1	L802 G803 V804 L808 R809 D810	L802-T806 WeakPolarHBondContact O-CB 3.22Å; L802-T806 PolarHBondContact O-N 2.99Å; L802-T806 PolarHBondContact O-OG1 2.81Å; G803-T806 WeakPolarHBondContact O-CB 3.42Å; G803-T806 PolarHBondContact O-N 2.85Å; V804-T806 VanDerWaalsContact C-N 3.29Å; V804-T806 PolarHBondContact O-N 3.46Å; T806-L808 VanDerWaalsContact C-N 3.34Å; T806-L808 PolarHBondContact O-N 2.84Å; T806-R809 PolarHBondContact O-N 3.12Å; T806-D810 WeakPolarHBondContact CG2-OD2 3.37Å; T806-D810 WeakPolarHBondContact O-CB 3.37Å; T806-D810 PolarHBondContact O-N 2.9Å
807	Y	96.1	Very high	95.4	Very high	95 Å²	95	37.8 Å²	37.8	37%	0.373	20%	0.195	S	C	.	.	H	α-helix	trans	-58.4	-43.7	175.5	170.4	-90.8	0	0	0	112.2	F707 V709 G803 V804 D810 N811	F707-Y807 HydrophobicContact CE2-CE1 4.31Å; V709-Y807 HydrophobicContact CG1-CD1 3.93Å; V709-Y807 HydrophobicContact CG1-CD2 4.43Å; V709-Y807 HydrophobicContact CG1-CE1 4.35Å; V709-Y807 HydrophobicContact CG1-CG 3.99Å; V709-Y807 HydrophobicContact CG2-CD1 3.8Å; V709-Y807 HydrophobicContact CG2-CE1 3.76Å; G803-Y807 PolarHBondContact O-N 3.07Å; V804-Y807 WeakPolarHBondContact O-CB 3.38Å; V804-Y807 PolarHBondContact O-N 3.16Å; V804-Y807 VanDerWaalsContact O-N 3.1Å; Y807-D810 PolarHBondContact O-N 3.28Å; Y807-N811 VanDerWaalsContact CD2-ND2 3.33Å; Y807-N811 WeakPolarHBondContact CD2-ND2 3.42Å; Y807-N811 HydrophobicContact CE2-CB 4.18Å; Y807-N811 WeakPolarHBondContact O-CB 3.27Å; Y807-N811 PolarHBondContact O-N 2.91Å; Y807-N811 PolarHBondContact O-ND2 3.26Å
808	L	96.3	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-50.5	177.3	-64.7	175.3	0	0	0	111.2	F707 V719 L721 A771 I773 V804 L805 T806 D810 L812 I815	F707-L808 HydrophobicContact CE2-CD2 4.3Å; F707-L808 HydrophobicContact CZ-CD2 3.71Å; V719-L808 HydrophobicContact CG1-CD1 4.29Å; V719-L808 HydrophobicContact CG1-CD2 4.26Å; L721-L808 HydrophobicContact CD2-CD1 4.31Å; A771-L808 HydrophobicContact CB-CD1 4.31Å; I773-L808 HydrophobicContact CD1-CD1 4.46Å; V804-L808 HydrophobicContact CG1-CD1 4.45Å; V804-L808 HydrophobicContact CG1-CG 4.45Å; V804-L808 WeakPolarHBondContact O-CG 3.12Å; V804-L808 PolarHBondContact O-N 2.59Å; L805-L808 PolarHBondContact O-N 3Å; T806-L808 VanDerWaalsContact C-N 3.34Å; T806-L808 PolarHBondContact O-N 2.84Å; L808-D810 VanDerWaalsContact C-N 3.31Å; L808-D810 PolarHBondContact O-N 2.76Å; L808-L812 HydrophobicContact CB-CD1 4.48Å; L808-L812 HydrophobicContact CD2-CD1 3.58Å; L808-L812 WeakPolarHBondContact O-CB 3.37Å; L808-L812 PolarHBondContact O-N 3.34Å; L808-L812 VanDerWaalsContact O-N 3.08Å; L808-I815 HydrophobicContact CB-CD1 3.9Å
809	R	95.1	Very high	95.2	Very high	46 Å²	46	47.4 Å²	47.4	17%	0.174	24%	0.241	C	C	.	.	H	α-helix	trans	-53.2	-46	176.4	-176	-166.2	71.3	-164.2	-9.2	112.4	L805 T806 P817 I820	L805-R809 WeakPolarHBondContact O-CB 3.4Å; L805-R809 PolarHBondContact O-N 2.67Å; T806-R809 PolarHBondContact O-N 3.12Å; R809-P817 HydrophobicContact CG-CB 3.61Å; R809-I820 HydrophobicContact CB-CD1 4.01Å; R809-I820 HydrophobicContact CG-CD1 3.89Å
810	D	94.2	Very high	95.3	Very high	96 Å²	96	44.4 Å²	44.4	51%	0.513	23%	0.226	S	C	.	.	H	α-helix	trans	-88.3	-17.4	-168.6	-65.5	-20.4	0	0	0	114	T806 Y807 L808	T806-D810 WeakPolarHBondContact CG2-OD2 3.37Å; T806-D810 WeakPolarHBondContact O-CB 3.37Å; T806-D810 PolarHBondContact O-N 2.9Å; Y807-D810 PolarHBondContact O-N 3.28Å; L808-D810 VanDerWaalsContact C-N 3.31Å; L808-D810 PolarHBondContact O-N 2.76Å
811	N	93.7	Very high	95.3	Very high	95 Å²	95	44.2 Å²	44.2	51%	0.508	23%	0.226	S	C	.	.	H	α-helix	trans	-115.1	-22.2	-174.5	-64.6	-96.5	0	0	0	114.3	Y807	Y807-N811 VanDerWaalsContact CD2-ND2 3.33Å; Y807-N811 WeakPolarHBondContact CD2-ND2 3.42Å; Y807-N811 HydrophobicContact CE2-CB 4.18Å; Y807-N811 WeakPolarHBondContact O-CB 3.27Å; Y807-N811 PolarHBondContact O-N 2.91Å; Y807-N811 PolarHBondContact O-ND2 3.26Å
812	L	93.4	Very high	95.3	Very high	20 Å²	20	44.1 Å²	44.1	11%	0.105	23%	0.225	C	C	.	.			trans	-105.7	93.8	-179.1	-57.2	178.8	0	0	0	110	F707 L721 L808 F814 I815	F707-L812 HydrophobicContact CZ-CD1 4.49Å; L721-L812 HydrophobicContact CD1-CD1 3.8Å; L808-L812 HydrophobicContact CB-CD1 4.48Å; L808-L812 HydrophobicContact CD2-CD1 3.58Å; L808-L812 WeakPolarHBondContact O-CB 3.37Å; L808-L812 PolarHBondContact O-N 3.34Å; L808-L812 VanDerWaalsContact O-N 3.08Å; L812-F814 HydrophobicContact CB-CD2 4.38Å; L812-F814 HydrophobicContact CB-CE1 4.32Å; L812-F814 HydrophobicContact CB-CE2 3.95Å; L812-F814 HydrophobicContact CB-CZ 3.92Å; L812-F814 HydrophobicContact CD1-CE2 4.14Å; L812-F814 HydrophobicContact CD1-CZ 4Å; L812-F814 HydrophobicContact CD2-CE1 4.33Å; L812-F814 HydrophobicContact CD2-CZ 4.05Å; L812-F814 HydrophobicContact CG-CZ 4.21Å; L812-F814 PolarHBondContact O-N 3.42Å; L812-I815 HydrophobicContact CB-CD1 3.85Å; L812-I815 HydrophobicContact CB-CG1 4.17Å; L812-I815 HydrophobicContact CD1-CD1 3.82Å; L812-I815 HydrophobicContact CG-CD1 4.41Å; L812-I815 WeakPolarHBondContact O-CB 3.5Å; L812-I815 PolarHBondContact O-N 3.14Å
813	K	91.8	Very high	95.4	Very high	172 Å²	172	43.9 Å²	43.9	75%	0.748	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-30.2	-176.7	-66.4	-175.2	175.1	-172.6	0	115.4	D732 I815	D732-K813 IonicContact OD1-NZ 3.22Å; K813-I815 PolarHBondContact O-N 3.05Å
814	F	92.2	Very high	95.5	Very high	6 Å²	6	42 Å²	42	3%	0.026	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	0.9	-178.4	56.9	-114.6	0	0	0	113.8	L723 M727 E729 F735 I769 L812	L723-F814 HydrophobicContact CD2-CE2 4.09Å; M727-F814 HydrophobicContact CE-CB 3.41Å; M727-F814 VanDerWaalsContact CE-CB 3.41Å; M727-F814 HydrophobicContact CE-CD1 4.06Å; M727-F814 HydrophobicContact CE-CD2 3.62Å; M727-F814 HydrophobicContact CE-CE2 4.36Å; M727-F814 HydrophobicContact CE-CG 3.43Å; M727-F814 VanDerWaalsContact CE-CG 3.43Å; E729-F814 HydrophobicContact CB-CD1 4.05Å; E729-F814 HydrophobicContact CB-CE1 3.83Å; E729-F814 HydrophobicContact CG-CD1 4.28Å; E729-F814 HydrophobicContact CG-CE1 3.73Å; E729-F814 HydrophobicContact CG-CZ 4.41Å; F735-F814 PolarHBondContact N-O 3.36Å; I769-F814 HydrophobicContact CD1-CD2 3.51Å; I769-F814 HydrophobicContact CD1-CE2 3.93Å; L812-F814 HydrophobicContact CB-CD2 4.38Å; L812-F814 HydrophobicContact CB-CE1 4.32Å; L812-F814 HydrophobicContact CB-CE2 3.95Å; L812-F814 HydrophobicContact CB-CZ 3.92Å; L812-F814 HydrophobicContact CD1-CE2 4.14Å; L812-F814 HydrophobicContact CD1-CZ 4Å; L812-F814 HydrophobicContact CD2-CE1 4.33Å; L812-F814 HydrophobicContact CD2-CZ 4.05Å; L812-F814 HydrophobicContact CG-CZ 4.21Å; L812-F814 PolarHBondContact O-N 3.42Å
815	I	94.5	Very high	95.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.9	170	-64.3	174.6	0	0	0	108.4	L737 I769 L808 L812 K813 P817 I820	L737-I815 HydrophobicContact CB-CG2 4.02Å; L737-I815 HydrophobicContact CD1-CD1 3.6Å; L737-I815 HydrophobicContact CD1-CG1 4.17Å; L737-I815 HydrophobicContact CD1-CG2 4.16Å; I769-I815 HydrophobicContact CD1-CG1 3.92Å; L808-I815 HydrophobicContact CB-CD1 3.9Å; L812-I815 HydrophobicContact CB-CD1 3.85Å; L812-I815 HydrophobicContact CB-CG1 4.17Å; L812-I815 HydrophobicContact CD1-CD1 3.82Å; L812-I815 HydrophobicContact CG-CD1 4.41Å; L812-I815 WeakPolarHBondContact O-CB 3.5Å; L812-I815 PolarHBondContact O-N 3.14Å; K813-I815 PolarHBondContact O-N 3.05Å; I815-P817 WeakPolarHBondContact O-CD 3.46Å; I815-I820 HydrophobicContact CG2-CD1 4.34Å; I815-I820 HydrophobicContact CG2-CG1 4.48Å
816	D	94.1	Very high	95.5	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.134	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.9	173.5	-172.9	-49.9	0	0	0	110.7	A734 F735 L818 R819 I820	A734-D816 HydrophobicContact CB-CB 4.08Å; F735-D816 PolarHBondContact O-N 2.84Å; D816-L818 VanDerWaalsContact C-N 3.26Å; D816-L818 PolarHBondContact O-N 3.11Å; D816-L818 WeakPolarHBondContact OD1-CA 3.38Å; D816-L818 WeakPolarHBondContact OD1-CB 3.39Å; D816-L818 PolarHBondContact OD1-N 3.48Å; D816-R819 HydrophobicContact CB-CB 4.15Å; D816-R819 VanDerWaalsContact CG-NE 3.33Å; D816-R819 PolarHBondContact O-N 3.44Å; D816-R819 PolarHBondContact OD1-N 2.8Å; D816-R819 VanDerWaalsContact OD1-N 3.14Å; D816-R819 IonicContact OD2-CZ 2.84Å; D816-R819 IonicContact OD2-NE 3.86Å; D816-R819 PolarHBondContact OD2-NE 3.38Å; D816-R819 IonicContact OD2-NH2 2.69Å; D816-R819 PolarHBondContact OD2-NH2 2.86Å; D816-I820 WeakPolarHBondContact O-CG1 3.25Å
817	P	93.4	Very high	95.5	Very high	72 Å²	72	44.7 Å²	44.7	47%	0.468	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-9.9	-176.1	31.9	-37.1	0	0	0	114.6	R809 I815	R809-P817 HydrophobicContact CG-CB 3.61Å; I815-P817 WeakPolarHBondContact O-CD 3.46Å
818	L	93.1	Very high	95.6	Very high	138 Å²	138	40.1 Å²	40.1	72%	0.723	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	-19.7	177.2	-56.8	178.5	0	0	0	112.3	D816	D816-L818 VanDerWaalsContact C-N 3.26Å; D816-L818 PolarHBondContact O-N 3.11Å; D816-L818 WeakPolarHBondContact OD1-CA 3.38Å; D816-L818 WeakPolarHBondContact OD1-CB 3.39Å; D816-L818 PolarHBondContact OD1-N 3.48Å
819	R	95.6	Very high	95.7	Very high	73 Å²	73	40.1 Å²	40.1	28%	0.275	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	63.4	-177.4	-63	-177.7	-73.5	152.1	4.9	111.9	A734 P736 L737 D816 F956	A734-R819 PolarHBondContact O-NH2 2.82Å; P736-R819 CarbonylContact C-O 3.54Å; P736-R819 VanDerWaalsContact CA-O 3.31Å; P736-R819 WeakPolarHBondContact CA-O 3.4Å; P736-R819 HydrophobicContact CB-CB 3.66Å; L737-R819 PolarHBondContact N-O 2.76Å; D816-R819 HydrophobicContact CB-CB 4.15Å; D816-R819 VanDerWaalsContact CG-NE 3.33Å; D816-R819 PolarHBondContact O-N 3.44Å; D816-R819 PolarHBondContact OD1-N 2.8Å; D816-R819 VanDerWaalsContact OD1-N 3.14Å; D816-R819 IonicContact OD2-CZ 2.84Å; D816-R819 IonicContact OD2-NE 3.86Å; D816-R819 PolarHBondContact OD2-NE 3.38Å; D816-R819 IonicContact OD2-NH2 2.69Å; D816-R819 PolarHBondContact OD2-NH2 2.86Å; R819-F956 VanDerWaalsContact C-CE1 3.41Å; R819-F956 HydrophobicContact CB-CB 4.3Å; R819-F956 HydrophobicContact CB-CD1 3.63Å; R819-F956 HydrophobicContact CB-CE1 4.08Å; R819-F956 HydrophobicContact CB-CG 3.99Å; R819-F956 HydrophobicContact CG-CB 3.94Å; R819-F956 HydrophobicContact CG-CD1 4.13Å; R819-F956 HydrophobicContact CG-CG 4.19Å; R819-F956 WeakPolarHBondContact O-CE1 3.12Å
820	I	97.9	Very high	95.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.1	176.6	-53.5	176.4	0	0	0	110.2	L737 L805 R809 I815 D816 V843 L844 Q845	L737-I820 HydrophobicContact CB-CG1 4.42Å; L737-I820 HydrophobicContact CD2-CG2 3.93Å; L737-I820 WeakPolarHBondContact O-CA 3.13Å; L805-I820 HydrophobicContact CD1-CG2 3.96Å; L805-I820 HydrophobicContact CD2-CG2 4.07Å; L805-I820 HydrophobicContact CG-CG2 4.25Å; R809-I820 HydrophobicContact CB-CD1 4.01Å; R809-I820 HydrophobicContact CG-CD1 3.89Å; I815-I820 HydrophobicContact CG2-CD1 4.34Å; I815-I820 HydrophobicContact CG2-CG1 4.48Å; D816-I820 WeakPolarHBondContact O-CG1 3.25Å; I820-V843 WeakPolarHBondContact CB-O 3.46Å; I820-V843 HydrophobicContact CD1-CG1 4.26Å; I820-L844 HydrophobicContact CG2-CD2 4.2Å; I820-Q845 WeakPolarHBondContact O-CB 3.27Å; I820-Q845 PolarHBondContact O-N 2.79Å
821	C	98.3	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162.6	172.1	-75.3	0	0	0	0	111.7	L737 V738 L739 C846 F952 F956	L737-C821 PolarHBondContact O-N 2.99Å; V738-C821 CarbonylContact C-O 3.56Å; V738-C821 WeakPolarHBondContact CA-O 3.26Å; L739-C821 PolarHBondContact N-O 2.78Å; C821-C846 VanDerWaalsContact CA-O 3.25Å; C821-C846 WeakPolarHBondContact CA-O 3.16Å; C821-C846 HydrophobicContact CB-CB 4.29Å; C821-C846 WeakPolarHBondContact CB-O 3.47Å; C821-C846 WeakPolarHBondContact CB-SG 3.49Å; C821-C846 VanDerWaalsContact SG-CA 3.59Å; C821-C846 WeakPolarHBondContact SG-CB 3.42Å; C821-C846 PolarHBondContact SG-N 2.76Å; C821-C846 CovalentContact SG-SG 2.04Å; C821-C846 PolarHBondContact SG-SG 3.13Å; C821-F952 HydrophobicContact CB-CD1 3.94Å; C821-F952 HydrophobicContact CB-CE1 3.97Å; C821-F956 HydrophobicContact CB-CE1 3.97Å; C821-F956 HydrophobicContact CB-CZ 4.17Å; C821-F956 VanDerWaalsContact SG-CE1 3.55Å
822	A	98.4	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153	174.2	0	0	0	0	0	112.3	L739 V741 L844 C846 A847 V848	L739-A822 HydrophobicContact CB-CB 4.19Å; L739-A822 CarbonylContact O-C 3.49Å; L739-A822 WeakPolarHBondContact O-CA 3.02Å; V741-A822 HydrophobicContact CG2-CB 4.31Å; A822-L844 HydrophobicContact CB-CD1 4.32Å; A822-L844 HydrophobicContact CB-CD2 3.76Å; A822-C846 PolarHBondContact N-O 3.01Å; A822-A847 CarbonylContact O-C 3.58Å; A822-A847 VanDerWaalsContact O-CA 3.28Å; A822-A847 WeakPolarHBondContact O-CA 3.27Å; A822-V848 PolarHBondContact O-N 2.91Å
823	F	98.6	Very high	96.5	Very high	15 Å²	15	28 Å²	28	7%	0.066	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.6	162.7	75.6	-83.8	0	0	0	112	V738 L739 H740 V741 W758 V848 M948 F952	V738-F823 HydrophobicContact CG1-CD1 3.46Å; V738-F823 VanDerWaalsContact CG1-CD1 3.46Å; V738-F823 HydrophobicContact CG1-CE1 3.61Å; L739-F823 PolarHBondContact O-N 3.22Å; H740-F823 HydrophobicContact CB-CE1 3.77Å; H740-F823 HydrophobicContact CB-CE2 4.38Å; H740-F823 HydrophobicContact CB-CZ 3.64Å; H740-F823 AromaticContact CD2-CE2 3.48Å; H740-F823 VanDerWaalsContact CD2-CE2 3.48Å; H740-F823 WeakPolarHBondContact CD2-CE2 3.27Å; H740-F823 AromaticContact CD2-CZ 3.6Å; H740-F823 AromaticContact CG-CE2 3.94Å; H740-F823 AromaticContact CG-CZ 3.53Å; H740-F823 AromaticContact NE2-CE2 3.98Å; V741-F823 PolarHBondContact N-O 2.61Å; W758-F823 HydrophobicContact CE3-CE1 4.32Å; W758-F823 HydrophobicContact CE3-CE2 4.4Å; W758-F823 AromaticContact CE3-CZ 4Å; W758-F823 HydrophobicContact CE3-CZ 4Å; W758-F823 HydrophobicContact CZ3-CD1 4.22Å; W758-F823 AromaticContact CZ3-CE1 3.93Å; W758-F823 HydrophobicContact CZ3-CE1 3.93Å; W758-F823 HydrophobicContact CZ3-CE2 4.32Å; W758-F823 AromaticContact CZ3-CZ 3.99Å; W758-F823 HydrophobicContact CZ3-CZ 3.99Å; F823-V848 VanDerWaalsContact CA-O 3.23Å; F823-V848 WeakPolarHBondContact CA-O 3.49Å; F823-V848 HydrophobicContact CB-CB 3.92Å; F823-M948 HydrophobicContact CB-CE 3.6Å; F823-M948 HydrophobicContact CD1-CE 4.26Å; F823-M948 HydrophobicContact CD2-CE 3.56Å; F823-M948 HydrophobicContact CE2-CE 4.29Å; F823-M948 HydrophobicContact CG-CE 3.53Å; F823-F952 HydrophobicContact CB-CZ 4.17Å; F823-F952 HydrophobicContact CD1-CE2 4.48Å; F823-F952 AromaticContact CD1-CZ 3.98Å; F823-F952 HydrophobicContact CD1-CZ 3.98Å; F823-F952 HydrophobicContact CG-CZ 4.41Å
824	G	98.1	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	167.1	170.6	0	0	0	0	0	112.9	V741 G828 G829 V848 I850	V741-G824 WeakPolarHBondContact O-CA 3.36Å; G824-G828 VanDerWaalsContact CA-C 3.46Å; G824-G829 WeakPolarHBondContact O-CA 3.32Å; G824-V848 PolarHBondContact N-O 2.92Å; G824-V848 VanDerWaalsContact N-O 3.14Å; G824-I850 PolarHBondContact O-N 2.85Å
825	W	96.9	Very high	97	Very high	68 Å²	68	19.5 Å²	19.5	26%	0.258	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.3	-173.7	-157.2	-64.6	0	0	0	110.6	Y827 G828 I850 H935 A936 I937 L941 V944	W825-Y827 PolarHBondContact O-N 2.96Å; W825-Y827 VanDerWaalsContact O-N 3.11Å; W825-G828 WeakPolarHBondContact O-CA 3.47Å; W825-G828 PolarHBondContact O-N 2.98Å; W825-I850 CarbonylContact C-O 3.49Å; W825-I850 WeakPolarHBondContact CA-O 3.1Å; W825-I850 HydrophobicContact CD2-CB 3.86Å; W825-I850 HydrophobicContact CD2-CD1 4.36Å; W825-I850 HydrophobicContact CD2-CG2 3.6Å; W825-I850 HydrophobicContact CE3-CB 3.88Å; W825-I850 HydrophobicContact CE3-CD1 3.51Å; W825-I850 HydrophobicContact CE3-CG1 4.3Å; W825-I850 HydrophobicContact CE3-CG2 3.64Å; W825-I850 HydrophobicContact CG-CB 4.2Å; W825-I850 HydrophobicContact CG-CG2 4.32Å; W825-I850 HydrophobicContact CH2-CG2 3.78Å; W825-I850 HydrophobicContact CZ2-CG2 3.73Å; W825-I850 HydrophobicContact CZ3-CB 4.39Å; W825-I850 HydrophobicContact CZ3-CD1 3.75Å; W825-I850 HydrophobicContact CZ3-CG2 3.74Å; W825-H935 AromaticContact CD1-CE1 3.87Å; W825-H935 AromaticContact CD1-NE2 3.38Å; W825-H935 VanDerWaalsContact CE2-O 3.24Å; W825-H935 VanDerWaalsContact CZ2-O 3.24Å; W825-H935 WeakPolarHBondContact CZ2-O 3.09Å; W825-H935 AromaticContact NE1-CD2 3.79Å; W825-H935 AromaticContact NE1-CE1 3.88Å; W825-H935 AromaticContact NE1-NE2 3.51Å; W825-H935 PolarHBondContact NE1-O 3.26Å; W825-A936 WeakPolarHBondContact CH2-O 3.36Å; W825-I937 HydrophobicContact CH2-CB 4.22Å; W825-I937 HydrophobicContact CH2-CD1 4.1Å; W825-I937 HydrophobicContact CH2-CG1 4.22Å; W825-I937 HydrophobicContact CZ2-CB 4.31Å; W825-I937 HydrophobicContact CZ2-CD1 3.95Å; W825-I937 HydrophobicContact CZ2-CG1 3.92Å; W825-L941 HydrophobicContact CH2-CD1 4.14Å; W825-L941 HydrophobicContact CZ3-CD1 4.23Å; W825-V944 HydrophobicContact CZ3-CG1 4.41Å
826	G	97.2	Very high	97.2	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	-113.1	179.5	0	0	0	0	0	112.1	G828 G829 Y830 I850 N851 P852 I853	G826-G828 VanDerWaalsContact C-N 3.33Å; G826-G829 PolarHBondContact O-N 2.87Å; G826-Y830 PolarHBondContact O-N 3.19Å; G826-Y830 VanDerWaalsContact O-N 3.13Å; G826-I850 PolarHBondContact N-O 3.01Å; G826-N851 WeakPolarHBondContact CA-O 3.12Å; G826-P852 WeakPolarHBondContact O-CA 3.38Å; G826-I853 PolarHBondContact O-N 3.31Å
827	Y	97.7	Very high	97.3	Very high	8 Å²	8	18.9 Å²	18.9	3%	0.031	9%	0.094	C	C	.	.	H	α-helix	trans	-66.6	-33.7	170.3	-164.2	-82	0	0	0	112.2	A743 S744 P745 L793 E797 W825 G829 Y830 A831 I853 F856 F863	A743-Y827 VanDerWaalsContact O-CE1 3.31Å; A743-Y827 WeakPolarHBondContact O-CE1 3.45Å; S744-Y827 WeakPolarHBondContact OG-CB 3.41Å; P745-Y827 HydrophobicContact CG-CE2 4.33Å; L793-Y827 HydrophobicContact CD1-CE2 4.27Å; E797-Y827 PolarHBondContact OE1-OH 2.8Å; W825-Y827 PolarHBondContact O-N 2.96Å; W825-Y827 VanDerWaalsContact O-N 3.11Å; Y827-G829 PolarHBondContact O-N 2.7Å; Y827-Y830 HydrophobicContact CD1-CD1 4.47Å; Y827-Y830 HydrophobicContact CD2-CD1 4.38Å; Y827-Y830 HydrophobicContact CE1-CD1 4.09Å; Y827-Y830 HydrophobicContact CE2-CD1 4.02Å; Y827-Y830 HydrophobicContact CE2-CE1 4.31Å; Y827-Y830 AromaticContact CZ-CD1 3.84Å; Y827-Y830 AromaticContact CZ-CE1 3.99Å; Y827-Y830 WeakPolarHBondContact O-CA 3.38Å; Y827-Y830 VanDerWaalsContact O-CB 3.29Å; Y827-Y830 WeakPolarHBondContact O-CB 3.46Å; Y827-Y830 PolarHBondContact O-N 3.41Å; Y827-Y830 VanDerWaalsContact O-N 3.14Å; Y827-A831 WeakPolarHBondContact O-CB 3.49Å; Y827-A831 PolarHBondContact O-N 2.76Å; Y827-I853 HydrophobicContact CD2-CD1 4.21Å; Y827-F856 HydrophobicContact CD2-CE1 4.01Å; Y827-F856 HydrophobicContact CD2-CZ 4.12Å; Y827-F856 AromaticContact CE2-CE1 3.74Å; Y827-F856 HydrophobicContact CE2-CE1 3.74Å; Y827-F856 AromaticContact CE2-CZ 3.58Å; Y827-F856 HydrophobicContact CE2-CZ 3.58Å; Y827-F863 HydrophobicContact CD2-CE1 4.18Å; Y827-F863 AromaticContact CD2-CZ 3.64Å; Y827-F863 HydrophobicContact CD2-CZ 3.64Å; Y827-F863 HydrophobicContact CE2-CE1 4.23Å; Y827-F863 AromaticContact CE2-CZ 3.91Å; Y827-F863 HydrophobicContact CE2-CZ 3.91Å
828	G	97.7	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-35.1	171.6	0	0	0	0	0	112.4	V741 D742 G824 W825 G826 A831 S832	V741-G828 VanDerWaalsContact O-CA 3.29Å; V741-G828 WeakPolarHBondContact O-CA 3.41Å; D742-G828 WeakPolarHBondContact O-CA 3.47Å; D742-G828 PolarHBondContact O-N 2.83Å; G824-G828 VanDerWaalsContact CA-C 3.46Å; W825-G828 WeakPolarHBondContact O-CA 3.47Å; W825-G828 PolarHBondContact O-N 2.98Å; G826-G828 VanDerWaalsContact C-N 3.33Å; G828-A831 PolarHBondContact O-N 2.86Å; G828-S832 WeakPolarHBondContact O-CB 3.46Å; G828-S832 PolarHBondContact O-N 3.27Å; G828-S832 PolarHBondContact O-OG 3.41Å
829	G	97.9	Very high	97.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-73	-30.9	175.6	0	0	0	0	0	112.9	G824 G826 Y827 S832 S833 A849	G824-G829 WeakPolarHBondContact O-CA 3.32Å; G826-G829 PolarHBondContact O-N 2.87Å; Y827-G829 PolarHBondContact O-N 2.7Å; G829-S832 PolarHBondContact O-OG 3.01Å; G829-S833 WeakPolarHBondContact O-CB 3.39Å; G829-S833 PolarHBondContact O-N 2.04Å; G829-S833 PolarHBondContact O-OG 3.45Å; G829-A849 WeakPolarHBondContact O-CB 3.31Å
830	Y	98.5	Very high	97.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.8	-53.2	167.1	167.3	-104.2	0	0	0	110.9	L793 G794 G826 Y827 S832 S833 M834 I853 F856 A881 L883	L793-Y830 PolarHBondContact O-OH 2.81Å; G794-Y830 VanDerWaalsContact CA-OH 3.25Å; G794-Y830 WeakPolarHBondContact CA-OH 3.44Å; G826-Y830 PolarHBondContact O-N 3.19Å; G826-Y830 VanDerWaalsContact O-N 3.13Å; Y827-Y830 HydrophobicContact CD1-CD1 4.47Å; Y827-Y830 HydrophobicContact CD2-CD1 4.38Å; Y827-Y830 HydrophobicContact CE1-CD1 4.09Å; Y827-Y830 HydrophobicContact CE2-CD1 4.02Å; Y827-Y830 HydrophobicContact CE2-CE1 4.31Å; Y827-Y830 AromaticContact CZ-CD1 3.84Å; Y827-Y830 AromaticContact CZ-CE1 3.99Å; Y827-Y830 WeakPolarHBondContact O-CA 3.38Å; Y827-Y830 VanDerWaalsContact O-CB 3.29Å; Y827-Y830 WeakPolarHBondContact O-CB 3.46Å; Y827-Y830 PolarHBondContact O-N 3.41Å; Y827-Y830 VanDerWaalsContact O-N 3.14Å; Y830-S832 PolarHBondContact O-N 3.31Å; Y830-S833 WeakPolarHBondContact O-CB 3.36Å; Y830-S833 PolarHBondContact O-N 2.89Å; Y830-M834 HydrophobicContact CE2-CE 3.63Å; Y830-M834 PolarHBondContact O-N 3.27Å; Y830-M834 VanDerWaalsContact OH-CE 3.24Å; Y830-M834 WeakPolarHBondContact OH-CE 3.23Å; Y830-I853 WeakPolarHBondContact CB-O 3.45Å; Y830-I853 WeakPolarHBondContact CD2-O 3.49Å; Y830-F856 HydrophobicContact CD1-CE2 4.36Å; Y830-F856 AromaticContact CD1-CZ 3.85Å; Y830-F856 HydrophobicContact CD1-CZ 3.85Å; Y830-F856 HydrophobicContact CD2-CE2 4.24Å; Y830-F856 HydrophobicContact CD2-CZ 4.24Å; Y830-F856 AromaticContact CE1-CE2 3.84Å; Y830-F856 HydrophobicContact CE1-CE2 3.84Å; Y830-F856 AromaticContact CE1-CZ 3.7Å; Y830-F856 HydrophobicContact CE1-CZ 3.7Å; Y830-F856 AromaticContact CE2-CE2 3.71Å; Y830-F856 HydrophobicContact CE2-CE2 3.71Å; Y830-F856 HydrophobicContact CE2-CZ 4.11Å; Y830-F856 HydrophobicContact CG-CZ 4.12Å; Y830-F856 AromaticContact CZ-CE2 3.48Å; Y830-F856 VanDerWaalsContact CZ-CE2 3.48Å; Y830-F856 AromaticContact CZ-CZ 3.83Å; Y830-A881 VanDerWaalsContact CE2-O 3.31Å; Y830-A881 WeakPolarHBondContact CE2-O 3.48Å; Y830-A881 WeakPolarHBondContact OH-CA 3.27Å; Y830-A881 WeakPolarHBondContact OH-CB 3.35Å; Y830-A881 PolarHBondContact OH-O 2.92Å; Y830-L883 HydrophobicContact CD2-CD1 3.74Å; Y830-L883 HydrophobicContact CD2-CD2 4.32Å; Y830-L883 HydrophobicContact CD2-CG 3.81Å; Y830-L883 HydrophobicContact CE2-CD1 4.36Å; Y830-L883 HydrophobicContact CE2-CD2 4.24Å; Y830-L883 HydrophobicContact CE2-CG 3.91Å
831	A	98.2	Very high	97	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-45	-178.4	0	0	0	0	0	112.2	V741 A743 Y827 G828 S833 M834 M835	V741-A831 HydrophobicContact CG1-CB 3.69Å; A743-A831 HydrophobicContact CB-CB 4.15Å; Y827-A831 WeakPolarHBondContact O-CB 3.49Å; Y827-A831 PolarHBondContact O-N 2.76Å; G828-A831 PolarHBondContact O-N 2.86Å; A831-S833 VanDerWaalsContact C-N 3.29Å; A831-S833 PolarHBondContact O-N 3.13Å; A831-M834 PolarHBondContact O-N 2.78Å; A831-M834 VanDerWaalsContact O-N 3.16Å; A831-M835 VanDerWaalsContact O-CG 3.29Å; A831-M835 WeakPolarHBondContact O-CG 3.4Å; A831-M835 PolarHBondContact O-N 2.93Å
832	S	98.1	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-33.5	176.9	69.1	0	0	0	0	112.9	G828 G829 Y830 L836 V848	G828-S832 WeakPolarHBondContact O-CB 3.46Å; G828-S832 PolarHBondContact O-N 3.27Å; G828-S832 PolarHBondContact O-OG 3.41Å; G829-S832 PolarHBondContact O-OG 3.01Å; Y830-S832 PolarHBondContact O-N 3.31Å; S832-L836 PolarHBondContact O-N 3.49Å; S832-V848 PolarHBondContact OG-O 3.07Å
833	S	98	Very high	96.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-69.3	-42.4	172.9	-58.9	0	0	0	0	111.5	G829 Y830 A831 L836 I837 A849	G829-S833 WeakPolarHBondContact O-CB 3.39Å; G829-S833 PolarHBondContact O-N 2.04Å; G829-S833 PolarHBondContact O-OG 3.45Å; Y830-S833 WeakPolarHBondContact O-CB 3.36Å; Y830-S833 PolarHBondContact O-N 2.89Å; A831-S833 VanDerWaalsContact C-N 3.29Å; A831-S833 PolarHBondContact O-N 3.13Å; S833-L836 PolarHBondContact O-N 3.44Å; S833-I837 WeakPolarHBondContact O-CD1 3.18Å; S833-I837 WeakPolarHBondContact O-CG1 2.98Å; S833-I837 PolarHBondContact O-N 3.36Å; S833-A849 WeakPolarHBondContact OG-CB 3.39Å
834	M	97.9	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.5	-37.6	178.1	-160.3	66.4	86.1	0	0	112.2	G794 V798 Y830 A831 L836 I837 D838 L883 K886	G794-M834 WeakPolarHBondContact O-CG 3.36Å; V798-M834 HydrophobicContact CG1-CB 4.35Å; V798-M834 HydrophobicContact CG1-CG 4.17Å; V798-M834 HydrophobicContact CG2-CB 3.92Å; V798-M834 HydrophobicContact CG2-CG 3.92Å; Y830-M834 HydrophobicContact CE2-CE 3.63Å; Y830-M834 PolarHBondContact O-N 3.27Å; Y830-M834 VanDerWaalsContact OH-CE 3.24Å; Y830-M834 WeakPolarHBondContact OH-CE 3.23Å; A831-M834 PolarHBondContact O-N 2.78Å; A831-M834 VanDerWaalsContact O-N 3.16Å; M834-L836 PolarHBondContact O-N 3.43Å; M834-I837 WeakPolarHBondContact O-CB 3.33Å; M834-I837 PolarHBondContact O-N 3.39Å; M834-I837 HydrophobicContact SD-CD1 4.36Å; M834-D838 PolarHBondContact O-N 3.34Å; M834-L883 HydrophobicContact CB-CD2 4.2Å; M834-L883 HydrophobicContact CE-CD2 3.61Å; M834-L883 HydrophobicContact CE-CG 4.37Å; M834-L883 HydrophobicContact SD-CD2 3.76Å; M834-K886 HydrophobicContact CE-CD 4.15Å; M834-K886 HydrophobicContact SD-CD 3.46Å; M834-K886 WeakPolarHBondContact SD-CD 3.42Å; M834-K886 PolarHBondContact SD-NZ 2.81Å
835	M	97.8	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-46	171.2	-71.7	178.9	72.8	0	0	111.5	L739 V741 V798 Q801 L802 L805 A831 I837 D838 D839 L844	L739-M835 HydrophobicContact CD2-CE 3.57Å; L739-M835 HydrophobicContact CD2-SD 4.11Å; V741-M835 HydrophobicContact CG2-SD 3.99Å; V798-M835 HydrophobicContact CG1-CG 3.95Å; Q801-M835 HydrophobicContact CB-CE 3.54Å; Q801-M835 HydrophobicContact CB-CG 4.28Å; Q801-M835 HydrophobicContact CB-SD 3.51Å; Q801-M835 VanDerWaalsContact CB-SD 3.51Å; Q801-M835 HydrophobicContact CG-SD 4.13Å; L802-M835 HydrophobicContact CD2-CB 4.1Å; L802-M835 HydrophobicContact CD2-CE 3.7Å; L802-M835 HydrophobicContact CD2-CG 4.38Å; L802-M835 HydrophobicContact CG-CB 4.31Å; L802-M835 HydrophobicContact CG-CE 4Å; L802-M835 HydrophobicContact CG-CG 4.19Å; L805-M835 HydrophobicContact CD2-CE 4.11Å; A831-M835 VanDerWaalsContact O-CG 3.29Å; A831-M835 WeakPolarHBondContact O-CG 3.4Å; A831-M835 PolarHBondContact O-N 2.93Å; M835-I837 PolarHBondContact O-N 3.41Å; M835-D838 PolarHBondContact O-N 3.47Å; M835-D839 WeakPolarHBondContact O-CB 3.42Å; M835-D839 PolarHBondContact O-N 2.59Å; M835-L844 HydrophobicContact CB-CD1 3.74Å; M835-L844 HydrophobicContact CE-CD1 4.31Å
836	L	97.4	Very high	96.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-29.6	179.2	-168.2	72.9	0	0	0	112.8	S832 S833 M834 L844 A847 I890 R893 N894 L895	S832-L836 PolarHBondContact O-N 3.49Å; S833-L836 PolarHBondContact O-N 3.44Å; M834-L836 PolarHBondContact O-N 3.43Å; L836-L844 HydrophobicContact CD1-CB 4.09Å; L836-A847 HydrophobicContact CB-CB 4.06Å; L836-A847 HydrophobicContact CD1-CB 4.22Å; L836-A847 HydrophobicContact CD2-CB 4.07Å; L836-A847 HydrophobicContact CG-CB 4.34Å; L836-I890 HydrophobicContact CD2-CG2 4.21Å; L836-R893 HydrophobicContact CD1-CB 4.18Å; L836-R893 HydrophobicContact CD2-CB 3.93Å; L836-R893 HydrophobicContact CG-CB 3.96Å; L836-R893 PolarHBondContact O-NE 3.27Å; L836-R893 PolarHBondContact O-NH2 2.89Å; L836-N894 WeakPolarHBondContact CD2-O 3.26Å; L836-L895 HydrophobicContact CD2-CB 3.85Å; L836-L895 HydrophobicContact CD2-CD1 4.22Å
837	I	96.6	Very high	96.4	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.072	14%	0.141	C	C	.	.	H	α-helix	trans	-77.2	-48.8	179	-75.1	163.7	0	0	0	112.6	S833 M834 M835 L883 K886 N889 I890	S833-I837 WeakPolarHBondContact O-CD1 3.18Å; S833-I837 WeakPolarHBondContact O-CG1 2.98Å; S833-I837 PolarHBondContact O-N 3.36Å; M834-I837 WeakPolarHBondContact O-CB 3.33Å; M834-I837 PolarHBondContact O-N 3.39Å; M834-I837 HydrophobicContact SD-CD1 4.36Å; M835-I837 PolarHBondContact O-N 3.41Å; I837-L883 HydrophobicContact CD1-CD2 3.61Å; I837-K886 HydrophobicContact CD1-CB 4.04Å; I837-K886 HydrophobicContact CG2-CB 3.94Å; I837-K886 HydrophobicContact CG2-CD 3.88Å; I837-K886 HydrophobicContact CG2-CG 4.45Å; I837-N889 HydrophobicContact CG2-CB 3.94Å; I837-I890 HydrophobicContact CD1-CD1 3.87Å; I837-I890 HydrophobicContact CD1-CG1 4.12Å; I837-I890 HydrophobicContact CG1-CD1 3.83Å; I837-I890 HydrophobicContact CG1-CG1 3.49Å; I837-I890 VanDerWaalsContact CG1-CG1 3.49Å
838	D	95.7	Very high	96.4	Very high	65 Å²	65	26.3 Å²	26.3	35%	0.348	14%	0.14	S	C	.	.	H	α-helix	trans	-93.8	-2.5	-172.2	-69.8	-33.1	0	0	0	112.7	M834 M835 S840 K886	M834-D838 PolarHBondContact O-N 3.34Å; M835-D838 PolarHBondContact O-N 3.47Å; D838-S840 VanDerWaalsContact C-N 3.3Å; D838-S840 PolarHBondContact O-N 3.48Å; D838-K886 IonicContact OD1-NZ 3.37Å; D838-K886 IonicContact OD2-NZ 2.62Å; D838-K886 PolarHBondContact OD2-NZ 2.88Å
839	D	95.9	Very high	96.5	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.059	14%	0.14	C	C	.	.			trans	-68.3	78.4	172.1	174.7	26.3	0	0	0	113.2	L802 M835 Q841 Q842 V843 L844 R893	L802-D839 HydrophobicContact CD1-CB 4.26Å; L802-D839 HydrophobicContact CD2-CB 3.85Å; M835-D839 WeakPolarHBondContact O-CB 3.42Å; M835-D839 PolarHBondContact O-N 2.59Å; D839-Q841 PolarHBondContact O-N 2.79Å; D839-Q841 PolarHBondContact OD1-N 2.83Å; D839-Q842 PolarHBondContact O-N 2.84Å; D839-Q842 WeakPolarHBondContact OD1-CA 3.36Å; D839-Q842 PolarHBondContact OD1-N 2.73Å; D839-Q842 VanDerWaalsContact OD2-C 3.27Å; D839-Q842 VanDerWaalsContact OD2-CA 3.23Å; D839-Q842 WeakPolarHBondContact OD2-CA 3.49Å; D839-V843 VanDerWaalsContact CG-N 3.29Å; D839-V843 PolarHBondContact OD1-N 3.49Å; D839-V843 PolarHBondContact OD2-N 2.89Å; D839-L844 PolarHBondContact OD2-N 3.34Å; D839-R893 IonicContact OD2-CZ 2.71Å; D839-R893 IonicContact OD2-NH1 2.75Å; D839-R893 IonicContact OD2-NH2 3.16Å; D839-R893 PolarHBondContact OD2-NH2 2.93Å
840	S	91.3	Very high	96.5	Very high	121 Å²	121	26.3 Å²	26.3	85%	0.846	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.3	173.5	56	0	0	0	0	115.1	D838	D838-S840 VanDerWaalsContact C-N 3.3Å; D838-S840 PolarHBondContact O-N 3.48Å
841	Q	91.4	Very high	96.5	Very high	108 Å²	108	26.3 Å²	26.3	51%	0.505	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-8.6	177.5	-78.4	-167	47.7	0	0	113.5	D839 V843	D839-Q841 PolarHBondContact O-N 2.79Å; D839-Q841 PolarHBondContact OD1-N 2.83Å; Q841-V843 VanDerWaalsContact C-N 3.27Å; Q841-V843 HydrophobicContact CB-CG2 3.82Å; Q841-V843 PolarHBondContact O-N 2.7Å
842	Q	92	Very high	96.5	Very high	144 Å²	144	26.3 Å²	26.3	67%	0.673	14%	0.139	S	C	*	.			trans	56.2	39.3	-171.7	-55.5	-171.5	-3.9	0	0	112.9	D839 L844	D839-Q842 PolarHBondContact O-N 2.84Å; D839-Q842 WeakPolarHBondContact OD1-CA 3.36Å; D839-Q842 PolarHBondContact OD1-N 2.73Å; D839-Q842 VanDerWaalsContact OD2-C 3.27Å; D839-Q842 VanDerWaalsContact OD2-CA 3.23Å; D839-Q842 WeakPolarHBondContact OD2-CA 3.49Å; Q842-L844 VanDerWaalsContact C-N 3.28Å; Q842-L844 PolarHBondContact O-N 3.42Å
843	V	94.5	Very high	96.5	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.14	C	C	.	.			trans	-60	-38.5	171.3	-175.5	0	0	0	0	111.2	L805 I820 D839 Q841	L805-V843 HydrophobicContact CB-CG1 4.4Å; L805-V843 HydrophobicContact CD2-CG1 3.62Å; L805-V843 HydrophobicContact CG-CG1 3.66Å; I820-V843 WeakPolarHBondContact CB-O 3.46Å; I820-V843 HydrophobicContact CD1-CG1 4.26Å; D839-V843 VanDerWaalsContact CG-N 3.29Å; D839-V843 PolarHBondContact OD1-N 3.49Å; D839-V843 PolarHBondContact OD2-N 2.89Å; Q841-V843 VanDerWaalsContact C-N 3.27Å; Q841-V843 HydrophobicContact CB-CG2 3.82Å; Q841-V843 PolarHBondContact O-N 2.7Å
844	L	96.6	Very high	96.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.14	C	C	.	.			trans	-91.9	123.6	179.7	-70.5	173.9	0	0	0	111.1	L802 L805 I820 A822 M835 L836 D839 Q842 R893	L802-L844 HydrophobicContact CD2-CD1 4.45Å; L805-L844 HydrophobicContact CD2-CD2 3.74Å; L805-L844 HydrophobicContact CD2-CG 4.17Å; I820-L844 HydrophobicContact CG2-CD2 4.2Å; A822-L844 HydrophobicContact CB-CD1 4.32Å; A822-L844 HydrophobicContact CB-CD2 3.76Å; M835-L844 HydrophobicContact CB-CD1 3.74Å; M835-L844 HydrophobicContact CE-CD1 4.31Å; L836-L844 HydrophobicContact CD1-CB 4.09Å; D839-L844 PolarHBondContact OD2-N 3.34Å; Q842-L844 VanDerWaalsContact C-N 3.28Å; Q842-L844 PolarHBondContact O-N 3.42Å; L844-R893 PolarHBondContact O-NH1 3.23Å; L844-R893 PolarHBondContact O-NH2 2.86Å
845	Q	95.8	Very high	96.4	Very high	81 Å²	81	27.4 Å²	27.4	38%	0.379	15%	0.145	S	C	.	.	S	Bend	trans	-82.9	-30.9	170	174.3	62.7	-13	0	0	111.7	I820 N894 C955	I820-Q845 WeakPolarHBondContact O-CB 3.27Å; I820-Q845 PolarHBondContact O-N 2.79Å; Q845-N894 WeakPolarHBondContact O-CB 3.28Å; Q845-N894 PolarHBondContact O-ND2 3.13Å; Q845-C955 HydrophobicContact CG-CB 4.46Å; Q845-C955 WeakPolarHBondContact CG-O 3.23Å; Q845-C955 PolarHBondContact NE2-O 2.81Å
846	C	97.1	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	160.4	173.4	80.4	0	0	0	0	114.6	C821 A822 N894 Y951 C955	C821-C846 VanDerWaalsContact CA-O 3.25Å; C821-C846 WeakPolarHBondContact CA-O 3.16Å; C821-C846 HydrophobicContact CB-CB 4.29Å; C821-C846 WeakPolarHBondContact CB-O 3.47Å; C821-C846 WeakPolarHBondContact CB-SG 3.49Å; C821-C846 VanDerWaalsContact SG-CA 3.59Å; C821-C846 WeakPolarHBondContact SG-CB 3.42Å; C821-C846 PolarHBondContact SG-N 2.76Å; C821-C846 CovalentContact SG-SG 2.04Å; C821-C846 PolarHBondContact SG-SG 3.13Å; A822-C846 PolarHBondContact N-O 3.01Å; C846-N894 CarbonylContact C-O 3.57Å; C846-N894 VanDerWaalsContact CA-O 3.31Å; C846-N894 WeakPolarHBondContact CA-O 3.4Å; C846-N894 HydrophobicContact CB-CB 3.67Å; C846-Y951 HydrophobicContact CB-CE1 4Å; C846-C955 HydrophobicContact CB-CB 3.68Å; C846-C955 WeakPolarHBondContact CB-SG 3.29Å; C846-C955 VanDerWaalsContact SG-CB 3.54Å
847	A	98.2	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.7	169	0	0	0	0	0	112.8	A822 L836 N894 L895 M896	A822-A847 CarbonylContact O-C 3.58Å; A822-A847 VanDerWaalsContact O-CA 3.28Å; A822-A847 WeakPolarHBondContact O-CA 3.27Å; L836-A847 HydrophobicContact CB-CB 4.06Å; L836-A847 HydrophobicContact CD1-CB 4.22Å; L836-A847 HydrophobicContact CD2-CB 4.07Å; L836-A847 HydrophobicContact CG-CB 4.34Å; A847-N894 PolarHBondContact N-O 2.74Å; A847-L895 HydrophobicContact CB-CD1 4.37Å; A847-M896 PolarHBondContact O-N 2.89Å
848	V	98.7	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.1	170.8	-174.7	0	0	0	0	109.8	A822 F823 G824 S832 I850 M896 M898 M948 Y951 F952	A822-V848 PolarHBondContact O-N 2.91Å; F823-V848 VanDerWaalsContact CA-O 3.23Å; F823-V848 WeakPolarHBondContact CA-O 3.49Å; F823-V848 HydrophobicContact CB-CB 3.92Å; G824-V848 PolarHBondContact N-O 2.92Å; G824-V848 VanDerWaalsContact N-O 3.14Å; S832-V848 PolarHBondContact OG-O 3.07Å; V848-I850 HydrophobicContact CG1-CG1 4.1Å; V848-M896 CarbonylContact C-O 3.59Å; V848-M896 WeakPolarHBondContact CA-O 3.33Å; V848-M896 HydrophobicContact CG2-CB 4.36Å; V848-M898 HydrophobicContact CG1-CE 4.06Å; V848-M948 HydrophobicContact CB-CE 4.41Å; V848-M948 HydrophobicContact CG1-CE 4.17Å; V848-M948 HydrophobicContact CG1-CG 4.26Å; V848-Y951 HydrophobicContact CG2-CD1 3.44Å; V848-Y951 VanDerWaalsContact CG2-CD1 3.44Å; V848-Y951 HydrophobicContact CG2-CE1 3.74Å; V848-F952 HydrophobicContact CG2-CD1 4.48Å; V848-F952 HydrophobicContact CG2-CE1 3.75Å; V848-F952 HydrophobicContact CG2-CZ 4.35Å
849	A	98.6	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.6	178.6	0	0	0	0	0	110.2	G829 S833 P852 M896 L897 M898	G829-A849 WeakPolarHBondContact O-CB 3.31Å; S833-A849 WeakPolarHBondContact OG-CB 3.39Å; A849-P852 HydrophobicContact CB-CB 4.01Å; A849-P852 HydrophobicContact CB-CG 4.02Å; A849-M896 PolarHBondContact N-O 2.8Å; A849-L897 HydrophobicContact CB-CD2 4.02Å; A849-L897 WeakPolarHBondContact O-CA 3.44Å; A849-M898 PolarHBondContact O-N 2.89Å
850	I	98.6	Very high	96.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.2	-176	-49.5	169.1	0	0	0	109.4	G824 W825 G826 V848 P852 M898 I937 V944 M948	G824-I850 PolarHBondContact O-N 2.85Å; W825-I850 CarbonylContact C-O 3.49Å; W825-I850 WeakPolarHBondContact CA-O 3.1Å; W825-I850 HydrophobicContact CD2-CB 3.86Å; W825-I850 HydrophobicContact CD2-CD1 4.36Å; W825-I850 HydrophobicContact CD2-CG2 3.6Å; W825-I850 HydrophobicContact CE3-CB 3.88Å; W825-I850 HydrophobicContact CE3-CD1 3.51Å; W825-I850 HydrophobicContact CE3-CG1 4.3Å; W825-I850 HydrophobicContact CE3-CG2 3.64Å; W825-I850 HydrophobicContact CG-CB 4.2Å; W825-I850 HydrophobicContact CG-CG2 4.32Å; W825-I850 HydrophobicContact CH2-CG2 3.78Å; W825-I850 HydrophobicContact CZ2-CG2 3.73Å; W825-I850 HydrophobicContact CZ3-CB 4.39Å; W825-I850 HydrophobicContact CZ3-CD1 3.75Å; W825-I850 HydrophobicContact CZ3-CG2 3.74Å; G826-I850 PolarHBondContact N-O 3.01Å; V848-I850 HydrophobicContact CG1-CG1 4.1Å; I850-P852 VanDerWaalsContact O-N 3.15Å; I850-M898 WeakPolarHBondContact CA-O 3.28Å; I850-M898 HydrophobicContact CB-CB 4.5Å; I850-M898 HydrophobicContact CG1-CB 4.26Å; I850-M898 HydrophobicContact CG2-CB 4.2Å; I850-I937 HydrophobicContact CG2-CD1 3.94Å; I850-V944 HydrophobicContact CD1-CG1 4.19Å; I850-M948 HydrophobicContact CD1-CE 3.81Å; I850-M948 HydrophobicContact CD1-SD 3.68Å
851	N	98.1	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	41.6	46.3	-173	-67.1	-14.3	0	0	0	113.3	G826 M898 H899 G900 D903 V906 D934 H935	G826-N851 WeakPolarHBondContact CA-O 3.12Å; N851-M898 PolarHBondContact N-O 3.02Å; N851-H899 VanDerWaalsContact OD1-CA 3.25Å; N851-H899 WeakPolarHBondContact OD1-CA 3.28Å; N851-G900 PolarHBondContact OD1-N 2.91Å; N851-D903 VanDerWaalsContact CB-OD2 3.26Å; N851-D903 WeakPolarHBondContact CB-OD2 3.14Å; N851-D903 PolarHBondContact ND2-OD2 3.31Å; N851-V906 VanDerWaalsContact O-CG1 3.3Å; N851-V906 WeakPolarHBondContact O-CG1 3.43Å; N851-D934 PolarHBondContact ND2-O 3.33Å; N851-H935 WeakPolarHBondContact ND2-CA 3.36Å; N851-H935 PolarHBondContact ND2-O 2.87Å
852	P	98.2	Very high	96.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.			trans	-73.6	140.3	-166.1	29.2	-36.3	0	0	0	113.5	G826 A849 I850 H910 T911	G826-P852 WeakPolarHBondContact O-CA 3.38Å; A849-P852 HydrophobicContact CB-CB 4.01Å; A849-P852 HydrophobicContact CB-CG 4.02Å; I850-P852 VanDerWaalsContact O-N 3.15Å; P852-H910 WeakPolarHBondContact O-CB 3.23Å; P852-T911 WeakPolarHBondContact CD-OG1 3.25Å; P852-T911 WeakPolarHBondContact CG-OG1 3.36Å
853	I	98.3	Very high	96.4	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	6%	0.06	C	C	.	.			trans	-68.5	136.8	163.4	-55.6	168.9	0	0	0	107.6	G826 Y827 Y830 F856 V906	G826-I853 PolarHBondContact O-N 3.31Å; Y827-I853 HydrophobicContact CD2-CD1 4.21Å; Y830-I853 WeakPolarHBondContact CB-O 3.45Å; Y830-I853 WeakPolarHBondContact CD2-O 3.49Å; I853-F856 HydrophobicContact CB-CE1 4.48Å; I853-F856 HydrophobicContact CD1-CE1 4.25Å; I853-F856 HydrophobicContact CG2-CD1 3.87Å; I853-F856 HydrophobicContact CG2-CE1 3.7Å; I853-F856 HydrophobicContact CG2-CG 4.44Å; I853-F856 HydrophobicContact CG2-CZ 4.14Å; I853-V906 HydrophobicContact CB-CG1 4.31Å; I853-V906 HydrophobicContact CD1-CG2 4.39Å; I853-V906 HydrophobicContact CG1-CB 4.43Å; I853-V906 HydrophobicContact CG1-CG1 3.66Å; I853-V906 HydrophobicContact CG1-CG2 3.79Å
854	V	97.8	Very high	96.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.			trans	-121.3	-34.1	-174.6	163.1	0	0	0	0	113.4	L883 T884 H910 M913 L914	V854-L883 HydrophobicContact CG1-CB 4.31Å; V854-L883 HydrophobicContact CG2-CD1 4.29Å; V854-L883 PolarHBondContact O-N 3.49Å; V854-T884 HydrophobicContact CG1-CG2 3.54Å; V854-H910 HydrophobicContact CB-CB 3.92Å; V854-H910 WeakPolarHBondContact CB-O 3.12Å; V854-H910 WeakPolarHBondContact CG1-O 3.24Å; V854-H910 HydrophobicContact CG2-CB 4.1Å; V854-H910 VanDerWaalsContact CG2-O 3.28Å; V854-H910 WeakPolarHBondContact CG2-O 3.45Å; V854-M913 HydrophobicContact CG1-CB 4.39Å; V854-L914 HydrophobicContact CG1-CB 3.85Å; V854-L914 HydrophobicContact CG2-CB 3.82Å; V854-L914 HydrophobicContact CG2-CD2 4.05Å
855	N	96.6	Very high	96.2	Very high	21 Å²	21	12 Å²	12	11%	0.112	6%	0.06	C	C	.	.			trans	-151	118.8	177.5	171.7	-42.9	0	0	0	107.3	G857 F858 D882 H910 M913	N855-G857 PolarHBondContact O-N 2.67Å; N855-G857 WeakPolarHBondContact OD1-CA 3.4Å; N855-G857 PolarHBondContact OD1-N 3.28Å; N855-F858 HydrophobicContact CB-CD2 4.18Å; N855-F858 PolarHBondContact O-N 2.58Å; N855-F858 VanDerWaalsContact O-N 3.14Å; N855-D882 PolarHBondContact ND2-OD2 3.08Å; N855-H910 PolarHBondContact O-CE1 3.36Å; N855-H910 VanDerWaalsContact O-CE1 3.23Å; N855-M913 HydrophobicContact CB-CE 4.03Å
856	F	96.3	Very high	96	Very high	1 Å²	1	8.5 Å²	8.5	0%	0.004	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-67.3	-19.3	-173.8	-65.7	-81.4	0	0	0	114.2	T373 L793 Y827 Y830 I853 F858 H859 F863 T864 I868 L878 A881	T373-F856 PolarHBondContact OG1-O 2.93Å; L793-F856 HydrophobicContact CB-CE2 4.31Å; L793-F856 HydrophobicContact CB-CZ 4.49Å; L793-F856 HydrophobicContact CD1-CD1 4.18Å; L793-F856 HydrophobicContact CD1-CD2 4.43Å; L793-F856 HydrophobicContact CD1-CE1 3.93Å; L793-F856 HydrophobicContact CD1-CE2 4.19Å; L793-F856 HydrophobicContact CD1-CG 4.43Å; L793-F856 HydrophobicContact CD1-CZ 3.94Å; Y827-F856 HydrophobicContact CD2-CE1 4.01Å; Y827-F856 HydrophobicContact CD2-CZ 4.12Å; Y827-F856 AromaticContact CE2-CE1 3.74Å; Y827-F856 HydrophobicContact CE2-CE1 3.74Å; Y827-F856 AromaticContact CE2-CZ 3.58Å; Y827-F856 HydrophobicContact CE2-CZ 3.58Å; Y830-F856 HydrophobicContact CD1-CE2 4.36Å; Y830-F856 AromaticContact CD1-CZ 3.85Å; Y830-F856 HydrophobicContact CD1-CZ 3.85Å; Y830-F856 HydrophobicContact CD2-CE2 4.24Å; Y830-F856 HydrophobicContact CD2-CZ 4.24Å; Y830-F856 AromaticContact CE1-CE2 3.84Å; Y830-F856 HydrophobicContact CE1-CE2 3.84Å; Y830-F856 AromaticContact CE1-CZ 3.7Å; Y830-F856 HydrophobicContact CE1-CZ 3.7Å; Y830-F856 AromaticContact CE2-CE2 3.71Å; Y830-F856 HydrophobicContact CE2-CE2 3.71Å; Y830-F856 HydrophobicContact CE2-CZ 4.11Å; Y830-F856 HydrophobicContact CG-CZ 4.12Å; Y830-F856 AromaticContact CZ-CE2 3.48Å; Y830-F856 VanDerWaalsContact CZ-CE2 3.48Å; Y830-F856 AromaticContact CZ-CZ 3.83Å; I853-F856 HydrophobicContact CB-CE1 4.48Å; I853-F856 HydrophobicContact CD1-CE1 4.25Å; I853-F856 HydrophobicContact CG2-CD1 3.87Å; I853-F856 HydrophobicContact CG2-CE1 3.7Å; I853-F856 HydrophobicContact CG2-CG 4.44Å; I853-F856 HydrophobicContact CG2-CZ 4.14Å; F856-F858 PolarHBondContact O-N 3.47Å; F856-H859 PolarHBondContact O-N 2.94Å; F856-H859 VanDerWaalsContact O-N 3.11Å; F856-F863 HydrophobicContact CD1-CD1 4.38Å; F856-F863 HydrophobicContact CD1-CE1 4.04Å; F856-F863 AromaticContact CE1-CE1 3.79Å; F856-F863 HydrophobicContact CE1-CE1 3.79Å; F856-T864 HydrophobicContact CB-CG2 3.66Å; F856-T864 PolarHBondContact O-OG1 2.9Å; F856-I868 HydrophobicContact CB-CD1 4.2Å; F856-I868 HydrophobicContact CD2-CD1 4.1Å; F856-I868 HydrophobicContact CG-CD1 4.25Å; F856-L878 HydrophobicContact CB-CD2 3.92Å; F856-A881 HydrophobicContact CD2-CB 3.92Å; F856-A881 HydrophobicContact CE2-CB 3.97Å
857	G	94.5	Very high	95.7	Very high	20 Å²	20	8.6 Å²	8.6	21%	0.206	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-62.2	-21.5	172.2	0	0	0	0	0	113.7	N855	N855-G857 PolarHBondContact O-N 2.67Å; N855-G857 WeakPolarHBondContact OD1-CA 3.4Å; N855-G857 PolarHBondContact OD1-N 3.28Å
858	F	95.1	Very high	95.4	Very high	73 Å²	73	8.7 Å²	8.7	32%	0.32	4%	0.044	S	C	.	.	G	3₁₀ helix	trans	-96	-12.4	175.6	-68.9	-99.5	0	0	0	113.6	K372 N855 F856 E909 M913	K372-F858 WeakPolarHBondContact CD-O 3.31Å; K372-F858 VanDerWaalsContact CE-O 3.26Å; K372-F858 WeakPolarHBondContact CE-O 3.47Å; K372-F858 WeakPolarHBondContact CG-O 3.3Å; N855-F858 HydrophobicContact CB-CD2 4.18Å; N855-F858 PolarHBondContact O-N 2.58Å; N855-F858 VanDerWaalsContact O-N 3.14Å; F856-F858 PolarHBondContact O-N 3.47Å; F858-E909 WeakPolarHBondContact CD1-OE2 3.49Å; F858-M913 HydrophobicContact CD1-SD 4.18Å; F858-M913 HydrophobicContact CD2-CE 3.85Å; F858-M913 HydrophobicContact CD2-SD 3.99Å; F858-M913 HydrophobicContact CE1-SD 4.16Å; F858-M913 HydrophobicContact CE2-CE 3.6Å; F858-M913 HydrophobicContact CE2-SD 3.98Å; F858-M913 HydrophobicContact CG-SD 4.11Å; F858-M913 HydrophobicContact CZ-CE 4.11Å; F858-M913 HydrophobicContact CZ-SD 4.07Å
859	H	95.8	Very high	94.8	Very high	6 Å²	6	10.7 Å²	10.7	3%	0.028	6%	0.058	C	C	.	.	S	Bend	trans	-82.8	173.4	177	-159.6	50.1	0	0	0	111.5	Y370 K372 T373 F856 F863 L905	Y370-H859 PolarHBondContact OH-ND1 2.74Å; K372-H859 WeakPolarHBondContact CA-O 3.4Å; T373-H859 PolarHBondContact N-O 2.84Å; T373-H859 PolarHBondContact OG1-O 3.24Å; T373-H859 VanDerWaalsContact OG1-O 3.08Å; F856-H859 PolarHBondContact O-N 2.94Å; F856-H859 VanDerWaalsContact O-N 3.11Å; H859-F863 AromaticContact CD2-CD1 3.82Å; H859-L905 PolarHBondContact CE1-O 2.89Å; H859-L905 PolarHBondContact ND1-O 3.15Å
860	Y	94.5	Very high	94	Very high	17 Å²	17	14.1 Å²	14.1	7%	0.067	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-74	146.3	-173.3	68.3	-89.6	0	0	0	113.9	W314 V319 Y370 P371 F862 F863 T864 L905	W314-Y860 AromaticContact CH2-CD1 3.98Å; W314-Y860 HydrophobicContact CH2-CD1 3.98Å; W314-Y860 HydrophobicContact CH2-CG 4.22Å; W314-Y860 HydrophobicContact CZ3-CG 4.29Å; V319-Y860 HydrophobicContact CG2-CD2 4.34Å; V319-Y860 HydrophobicContact CG2-CE2 3.53Å; Y370-Y860 PolarHBondContact OH-N 3.14Å; P371-Y860 CarbonylContact O-C 3.57Å; P371-Y860 WeakPolarHBondContact O-CA 3.46Å; Y860-F862 HydrophobicContact CD2-CB 3.95Å; Y860-F862 HydrophobicContact CE2-CB 4.02Å; Y860-F862 HydrophobicContact CE2-CD1 4.33Å; Y860-F862 PolarHBondContact O-N 2.92Å; Y860-F863 HydrophobicContact CD2-CB 4.03Å; Y860-F863 HydrophobicContact CE1-CB 4.07Å; Y860-F863 HydrophobicContact CE2-CB 3.5Å; Y860-F863 VanDerWaalsContact CE2-CB 3.5Å; Y860-F863 PolarHBondContact O-N 3.17Å; Y860-T864 PolarHBondContact O-N 2.86Å; Y860-T864 VanDerWaalsContact O-N 3.17Å; Y860-L905 HydrophobicContact CD1-CD1 4.47Å; Y860-L905 HydrophobicContact CE1-CD1 3.94Å
861	S	93.7	Very high	93	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59	-44	-170.1	55.9	0	0	0	0	113.8	P371 N377 F863 T864 E865	P371-S861 PolarHBondContact O-N 2.85Å; P371-S861 PolarHBondContact O-OG 3.05Å; N377-S861 WeakPolarHBondContact OD1-CB 3.46Å; N377-S861 PolarHBondContact OD1-OG 2.83Å; S861-F863 VanDerWaalsContact C-N 3.31Å; S861-F863 PolarHBondContact O-N 2.82Å; S861-T864 PolarHBondContact O-N 2.86Å; S861-E865 VanDerWaalsContact CB-OE1 3.23Å; S861-E865 WeakPolarHBondContact CB-OE1 3.4Å; S861-E865 VanDerWaalsContact O-CB 3.27Å; S861-E865 WeakPolarHBondContact O-CB 3.48Å; S861-E865 VanDerWaalsContact O-CG 3.28Å; S861-E865 WeakPolarHBondContact O-CG 3.44Å; S861-E865 PolarHBondContact O-N 3.06Å
862	F	93.6	Very high	92.2	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-37	-177.2	-177.7	-84.3	0	0	0	113	M315 V319 L322 Y409 Q430 P461 Y860	M315-F862 HydrophobicContact SD-CB 4.17Å; V319-F862 HydrophobicContact CB-CD1 4.36Å; V319-F862 HydrophobicContact CB-CE1 4.41Å; V319-F862 HydrophobicContact CG1-CD1 3.52Å; V319-F862 HydrophobicContact CG1-CE1 3.17Å; V319-F862 HydrophobicContact CG1-CE2 4.44Å; V319-F862 HydrophobicContact CG1-CG 4.29Å; V319-F862 HydrophobicContact CG1-CZ 3.69Å; V319-F862 HydrophobicContact CG2-CB 4.47Å; V319-F862 HydrophobicContact CG2-CD1 3.82Å; V319-F862 HydrophobicContact CG2-CE1 4.35Å; V319-F862 HydrophobicContact CG2-CG 4.26Å; L322-F862 HydrophobicContact CD1-CD2 4.17Å; L322-F862 HydrophobicContact CD1-CE2 3.88Å; L322-F862 HydrophobicContact CD1-CZ 4.2Å; L322-F862 HydrophobicContact CD2-CE2 3.94Å; L322-F862 HydrophobicContact CD2-CZ 4.19Å; L322-F862 HydrophobicContact CG-CE2 4.02Å; L322-F862 HydrophobicContact CG-CZ 4Å; Y409-F862 AromaticContact CD1-CD2 3.99Å; Y409-F862 HydrophobicContact CD1-CD2 3.99Å; Y409-F862 AromaticContact CD2-CD2 3.82Å; Y409-F862 HydrophobicContact CD2-CD2 3.82Å; Y409-F862 AromaticContact CD2-CE2 3.98Å; Y409-F862 HydrophobicContact CD2-CE2 3.98Å; Y409-F862 HydrophobicContact CE1-CB 4.42Å; Y409-F862 AromaticContact CE1-CD2 3.84Å; Y409-F862 HydrophobicContact CE1-CD2 3.84Å; Y409-F862 AromaticContact CE2-CD2 3.65Å; Y409-F862 HydrophobicContact CE2-CD2 3.65Å; Y409-F862 HydrophobicContact CE2-CE2 4.2Å; Y409-F862 AromaticContact CG-CD2 3.99Å; Y409-F862 HydrophobicContact CG-CD2 3.99Å; Y409-F862 HydrophobicContact CG-CE2 4.16Å; Y409-F862 AromaticContact CZ-CD2 3.66Å; Q430-F862 PolarHBondContact NE2-O 2.78Å; Q430-F862 VanDerWaalsContact OE1-CZ 3.29Å; P461-F862 HydrophobicContact CG-CZ 4.25Å; Y860-F862 HydrophobicContact CD2-CB 3.95Å; Y860-F862 HydrophobicContact CE2-CB 4.02Å; Y860-F862 HydrophobicContact CE2-CD1 4.33Å; Y860-F862 PolarHBondContact O-N 2.92Å
863	F	93.9	Very high	91.4	Very high	21 Å²	21	29 Å²	29	9%	0.092	17%	0.166	C	C	.	.	H	α-helix	trans	-76.4	-57.5	174.5	-177.2	-78.5	0	0	0	111	P745 L793 Y827 F856 H859 Y860 S861 E865 R866 Y867	P745-F863 HydrophobicContact CG-CZ 4.5Å; L793-F863 HydrophobicContact CD1-CE1 4.25Å; Y827-F863 HydrophobicContact CD2-CE1 4.18Å; Y827-F863 AromaticContact CD2-CZ 3.64Å; Y827-F863 HydrophobicContact CD2-CZ 3.64Å; Y827-F863 HydrophobicContact CE2-CE1 4.23Å; Y827-F863 AromaticContact CE2-CZ 3.91Å; Y827-F863 HydrophobicContact CE2-CZ 3.91Å; F856-F863 HydrophobicContact CD1-CD1 4.38Å; F856-F863 HydrophobicContact CD1-CE1 4.04Å; F856-F863 AromaticContact CE1-CE1 3.79Å; F856-F863 HydrophobicContact CE1-CE1 3.79Å; H859-F863 AromaticContact CD2-CD1 3.82Å; Y860-F863 HydrophobicContact CD2-CB 4.03Å; Y860-F863 HydrophobicContact CE1-CB 4.07Å; Y860-F863 HydrophobicContact CE2-CB 3.5Å; Y860-F863 VanDerWaalsContact CE2-CB 3.5Å; Y860-F863 PolarHBondContact O-N 3.17Å; S861-F863 VanDerWaalsContact C-N 3.31Å; S861-F863 PolarHBondContact O-N 2.82Å; F863-E865 PolarHBondContact O-N 2.86Å; F863-R866 WeakPolarHBondContact O-CB 3.46Å; F863-R866 PolarHBondContact O-N 2.84Å; F863-Y867 AromaticContact CD1-CD2 3.76Å; F863-Y867 HydrophobicContact CD1-CD2 3.76Å; F863-Y867 AromaticContact CD1-CE2 3.93Å; F863-Y867 HydrophobicContact CD1-CE2 3.93Å; F863-Y867 HydrophobicContact CD2-CD2 4.4Å; F863-Y867 AromaticContact CD2-CE2 3.71Å; F863-Y867 HydrophobicContact CD2-CE2 3.71Å; F863-Y867 AromaticContact CE1-CD2 3.59Å; F863-Y867 HydrophobicContact CE1-CD2 3.59Å; F863-Y867 AromaticContact CE1-CE2 3.79Å; F863-Y867 HydrophobicContact CE1-CE2 3.79Å; F863-Y867 HydrophobicContact CE2-CD2 4.27Å; F863-Y867 AromaticContact CE2-CE2 3.59Å; F863-Y867 HydrophobicContact CE2-CE2 3.59Å; F863-Y867 HydrophobicContact CG-CD2 4.15Å; F863-Y867 AromaticContact CG-CE2 3.87Å; F863-Y867 HydrophobicContact CG-CE2 3.87Å; F863-Y867 AromaticContact CZ-CD2 3.86Å; F863-Y867 HydrophobicContact CZ-CD2 3.86Å; F863-Y867 AromaticContact CZ-CE2 3.61Å; F863-Y867 HydrophobicContact CZ-CE2 3.61Å; F863-Y867 WeakPolarHBondContact O-CD2 3.48Å
864	T	94.4	Very high	90.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-44.6	-169.6	-61.1	0	0	0	0	112.5	T373 F856 Y860 S861 R866 Y867 I868 L878	T373-T864 HydrophobicContact CG2-CG2 3.49Å; T373-T864 VanDerWaalsContact CG2-CG2 3.49Å; T373-T864 WeakPolarHBondContact OG1-CB 3.5Å; T373-T864 WeakPolarHBondContact OG1-CG2 3.5Å; T373-T864 PolarHBondContact OG1-OG1 2.98Å; F856-T864 HydrophobicContact CB-CG2 3.66Å; F856-T864 PolarHBondContact O-OG1 2.9Å; Y860-T864 PolarHBondContact O-N 2.86Å; Y860-T864 VanDerWaalsContact O-N 3.17Å; S861-T864 PolarHBondContact O-N 2.86Å; T864-R866 PolarHBondContact O-N 2.85Å; T864-Y867 PolarHBondContact O-N 2.87Å; T864-Y867 VanDerWaalsContact O-N 3.11Å; T864-I868 HydrophobicContact CG2-CB 4.33Å; T864-I868 PolarHBondContact O-N 3.01Å; T864-L878 HydrophobicContact CG2-CD2 4.36Å
865	E	92.9	Very high	90.4	Very high	6 Å²	6	37 Å²	37	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-72.8	-16.5	-171.6	-60.8	176.1	-163.7	0	0	113.5	T373 G374 R428 S861 F863 L870	T373-E865 HydrophobicContact CG2-CG 3.93Å; G374-E865 PolarHBondContact N-OE1 2.88Å; R428-E865 WeakPolarHBondContact CG-OE2 3.29Å; R428-E865 IonicContact CZ-OE1 3.6Å; R428-E865 IonicContact CZ-OE2 3.6Å; R428-E865 IonicContact NE-OE1 2.68Å; R428-E865 IonicContact NE-OE2 3.6Å; R428-E865 PolarHBondContact NE-OE2 2.89Å; R428-E865 IonicContact NH2-OE1 3.68Å; R428-E865 PolarHBondContact NH2-OE1 3.27Å; R428-E865 IonicContact NH2-OE2 2.76Å; R428-E865 PolarHBondContact NH2-OE2 3.49Å; S861-E865 VanDerWaalsContact CB-OE1 3.23Å; S861-E865 WeakPolarHBondContact CB-OE1 3.4Å; S861-E865 VanDerWaalsContact O-CB 3.27Å; S861-E865 WeakPolarHBondContact O-CB 3.48Å; S861-E865 VanDerWaalsContact O-CG 3.28Å; S861-E865 WeakPolarHBondContact O-CG 3.44Å; S861-E865 PolarHBondContact O-N 3.06Å; F863-E865 PolarHBondContact O-N 2.86Å; E865-L870 HydrophobicContact CB-CG 4.47Å; E865-L870 HydrophobicContact CG-CD1 4.24Å; E865-L870 HydrophobicContact CG-CD2 3.94Å; E865-L870 HydrophobicContact CG-CG 3.99Å
866	R	91.5	Very high	90.1	Very high	7 Å²	7	41.5 Å²	41.5	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-72.5	-38.8	171	178.5	-162.2	-84.7	-171.5	3.4	112.2	E321 W458 H790 F863 T864	E321-R866 IonicContact OE1-CZ 2.7Å; E321-R866 IonicContact OE1-NH1 3.62Å; E321-R866 PolarHBondContact OE1-NH1 3.48Å; E321-R866 IonicContact OE1-NH2 2.66Å; E321-R866 PolarHBondContact OE1-NH2 2.91Å; W458-R866 HydrophobicContact CB-CG 3.54Å; W458-R866 VanDerWaalsContact CD1-NE 3.33Å; W458-R866 HydrophobicContact CD2-CG 3.8Å; W458-R866 HydrophobicContact CE3-CG 4.34Å; W458-R866 VanDerWaalsContact CG-CD 3.5Å; W458-R866 HydrophobicContact CG-CG 3.4Å; H790-R866 PolarHBondContact CD2-O 3.36Å; F863-R866 WeakPolarHBondContact O-CB 3.46Å; F863-R866 PolarHBondContact O-N 2.84Å; T864-R866 PolarHBondContact O-N 2.85Å
867	Y	91.7	Very high	89.9	Confident	3 Å²	3	42 Å²	42	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-101.7	-25.8	-172.9	-57.6	-54.6	0	0	0	113.3	W458 P745 G791 L793 F863 T864	W458-Y867 HydrophobicContact CD2-CE1 4Å; W458-Y867 AromaticContact CE2-CE1 3.7Å; W458-Y867 HydrophobicContact CE3-CD1 4.18Å; W458-Y867 HydrophobicContact CE3-CE1 4.03Å; W458-Y867 HydrophobicContact CH2-CD1 4.17Å; W458-Y867 AromaticContact CH2-CE1 3.63Å; W458-Y867 HydrophobicContact CH2-CE1 3.63Å; W458-Y867 HydrophobicContact CZ2-CD1 4.47Å; W458-Y867 AromaticContact CZ2-CE1 3.54Å; W458-Y867 HydrophobicContact CZ2-CE1 3.54Å; W458-Y867 AromaticContact CZ3-CD1 4Å; W458-Y867 HydrophobicContact CZ3-CD1 4Å; W458-Y867 AromaticContact CZ3-CE1 3.86Å; W458-Y867 HydrophobicContact CZ3-CE1 3.86Å; P745-Y867 HydrophobicContact CB-CD1 4.07Å; P745-Y867 HydrophobicContact CB-CE1 3.51Å; P745-Y867 HydrophobicContact CB-CE2 4.04Å; P745-Y867 HydrophobicContact CG-CD2 4.47Å; P745-Y867 HydrophobicContact CG-CE1 4.34Å; P745-Y867 HydrophobicContact CG-CE2 4.31Å; P745-Y867 PolarHBondContact O-OH 2.83Å; G791-Y867 WeakPolarHBondContact CA-O 3.43Å; G791-Y867 PolarHBondContact N-O 3.29Å; L793-Y867 HydrophobicContact CD1-CD2 4.31Å; L793-Y867 HydrophobicContact CD1-CG 4.3Å; L793-Y867 HydrophobicContact CD2-CG 4.17Å; F863-Y867 AromaticContact CD1-CD2 3.76Å; F863-Y867 HydrophobicContact CD1-CD2 3.76Å; F863-Y867 AromaticContact CD1-CE2 3.93Å; F863-Y867 HydrophobicContact CD1-CE2 3.93Å; F863-Y867 HydrophobicContact CD2-CD2 4.4Å; F863-Y867 AromaticContact CD2-CE2 3.71Å; F863-Y867 HydrophobicContact CD2-CE2 3.71Å; F863-Y867 AromaticContact CE1-CD2 3.59Å; F863-Y867 HydrophobicContact CE1-CD2 3.59Å; F863-Y867 AromaticContact CE1-CE2 3.79Å; F863-Y867 HydrophobicContact CE1-CE2 3.79Å; F863-Y867 HydrophobicContact CE2-CD2 4.27Å; F863-Y867 AromaticContact CE2-CE2 3.59Å; F863-Y867 HydrophobicContact CE2-CE2 3.59Å; F863-Y867 HydrophobicContact CG-CD2 4.15Å; F863-Y867 AromaticContact CG-CE2 3.87Å; F863-Y867 HydrophobicContact CG-CE2 3.87Å; F863-Y867 AromaticContact CZ-CD2 3.86Å; F863-Y867 HydrophobicContact CZ-CD2 3.86Å; F863-Y867 AromaticContact CZ-CE2 3.61Å; F863-Y867 HydrophobicContact CZ-CE2 3.61Å; F863-Y867 WeakPolarHBondContact O-CD2 3.48Å; T864-Y867 PolarHBondContact O-N 2.87Å; T864-Y867 VanDerWaalsContact O-N 3.11Å
868	I	91.8	Very high	89.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.221	C	C	.	.	S	Bend	trans	-128.1	84.2	177.7	-56.3	-179.8	0	0	0	106.8	L793 F856 T864 Y874 A877 L878 A881	L793-I868 HydrophobicContact CB-CD1 4.46Å; L793-I868 HydrophobicContact CD1-CD1 4.02Å; L793-I868 HydrophobicContact CD1-CG1 4.11Å; L793-I868 HydrophobicContact CG-CD1 4.32Å; L793-I868 HydrophobicContact CG-CG1 4.21Å; F856-I868 HydrophobicContact CB-CD1 4.2Å; F856-I868 HydrophobicContact CD2-CD1 4.1Å; F856-I868 HydrophobicContact CG-CD1 4.25Å; T864-I868 HydrophobicContact CG2-CB 4.33Å; T864-I868 PolarHBondContact O-N 3.01Å; I868-Y874 HydrophobicContact CG2-CD2 3.9Å; I868-Y874 HydrophobicContact CG2-CE2 4.22Å; I868-A877 HydrophobicContact CG2-CB 3.79Å; I868-L878 HydrophobicContact CD1-CD2 4.02Å; I868-L878 HydrophobicContact CG2-CD2 4.19Å; I868-L878 HydrophobicContact CG2-CG 4.06Å; I868-A881 HydrophobicContact CD1-CB 4.31Å
869	P	84.9	Confident	89.6	Confident	43 Å²	43	44.2 Å²	44.2	28%	0.279	23%	0.231	S	C	.	.			trans	-61.1	142.5	-173.4	-25.8	35	0	0	0	113.2	H790 K871 Y874	H790-P869 WeakPolarHBondContact NE2-CG 3.42Å; P869-K871 PolarHBondContact O-N 2.81Å; P869-Y874 WeakPolarHBondContact O-CB 3.37Å; P869-Y874 VanDerWaalsContact O-CD2 3.28Å; P869-Y874 WeakPolarHBondContact O-CD2 3.28Å
870	L	81.9	Confident	89.5	Confident	72 Å²	72	47.8 Å²	47.8	38%	0.377	25%	0.248	S	C	.	.	S	Bend	trans	-65.1	7.4	178	-59.9	-178.2	0	0	0	115	T373 E865 Y874	T373-L870 HydrophobicContact CG2-CD2 4.34Å; E865-L870 HydrophobicContact CB-CG 4.47Å; E865-L870 HydrophobicContact CG-CD1 4.24Å; E865-L870 HydrophobicContact CG-CD2 3.94Å; E865-L870 HydrophobicContact CG-CG 3.99Å; L870-Y874 HydrophobicContact CD2-CD2 4.08Å; L870-Y874 HydrophobicContact CD2-CE1 4.27Å; L870-Y874 HydrophobicContact CD2-CE2 3.5Å
871	K	78.5	Confident	89.6	Confident	140 Å²	140	47 Å²	47	61%	0.609	25%	0.245	S	C	*	.	S	Bend	trans	-127.3	144.9	-173.8	-73	171.2	174.3	163.3	0	110.6	E429 P869	E429-K871 VanDerWaalsContact CD-NZ 3.28Å; E429-K871 WeakPolarHBondContact OE1-CE 3.49Å; E429-K871 IonicContact OE1-NZ 3.53Å; E429-K871 PolarHBondContact OE1-NZ 3.06Å; E429-K871 IonicContact OE2-NZ 2.76Å; E429-K871 PolarHBondContact OE2-NZ 3.02Å; E429-K871 VanDerWaalsContact OE2-NZ 3.13Å; P869-K871 PolarHBondContact O-N 2.81Å
872	G	80.3	Confident	89.7	Confident	75 Å²	75	47.6 Å²	47.6	77%	0.773	25%	0.248	S	C	*	.	S	Bend	trans	72.8	-131.2	-177.2	0	0	0	0	0	111.4	Y874	G872-Y874 PolarHBondContact O-N 3.31Å
873	D	80.9	Confident	89.9	Confident	97 Å²	97	47.6 Å²	47.6	52%	0.519	25%	0.248	S	C	.	.	S	Bend	trans	-73.3	22.2	-172.3	-80.2	15.5	0	0	0	115	L875 R876 A877	D873-L875 VanDerWaalsContact C-N 3.3Å; D873-L875 PolarHBondContact O-N 3.42Å; D873-L875 VanDerWaalsContact O-N 3.12Å; D873-R876 HydrophobicContact CB-CB 4.34Å; D873-R876 WeakPolarHBondContact O-CA 3.27Å; D873-R876 WeakPolarHBondContact O-CB 3.29Å; D873-R876 PolarHBondContact O-N 3.27Å; D873-R876 IonicContact OD2-CZ 3.44Å; D873-R876 IonicContact OD2-NE 2.85Å; D873-R876 PolarHBondContact OD2-NE 2.94Å; D873-R876 IonicContact OD2-NH2 3.7Å; D873-R876 PolarHBondContact OD2-NH2 2.85Å; D873-A877 PolarHBondContact O-N 2.81Å
874	Y	87.3	Confident	90.1	Very high	45 Å²	45	48 Å²	48	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-39.8	-52.2	-179.3	174.1	-116.9	0	0	0	114.1	T373 I868 P869 L870 G872 R876 A877 L878	T373-Y874 HydrophobicContact CG2-CE2 4.32Å; T373-Y874 VanDerWaalsContact CG2-OH 3.26Å; T373-Y874 WeakPolarHBondContact CG2-OH 3.42Å; I868-Y874 HydrophobicContact CG2-CD2 3.9Å; I868-Y874 HydrophobicContact CG2-CE2 4.22Å; P869-Y874 WeakPolarHBondContact O-CB 3.37Å; P869-Y874 VanDerWaalsContact O-CD2 3.28Å; P869-Y874 WeakPolarHBondContact O-CD2 3.28Å; L870-Y874 HydrophobicContact CD2-CD2 4.08Å; L870-Y874 HydrophobicContact CD2-CE1 4.27Å; L870-Y874 HydrophobicContact CD2-CE2 3.5Å; G872-Y874 PolarHBondContact O-N 3.31Å; Y874-R876 PolarHBondContact O-N 2.93Å; Y874-A877 PolarHBondContact O-N 2.68Å; Y874-L878 HydrophobicContact CD1-CD1 4.47Å; Y874-L878 HydrophobicContact CD2-CD1 4.41Å; Y874-L878 HydrophobicContact CD2-CG 4.46Å; Y874-L878 HydrophobicContact CE1-CD1 3.82Å; Y874-L878 HydrophobicContact CE2-CD1 3.73Å; Y874-L878 HydrophobicContact CE2-CG 4.03Å; Y874-L878 VanDerWaalsContact CZ-CD1 3.41Å; Y874-L878 PolarHBondContact O-N 3.26Å
875	L	88.6	Confident	90.2	Very high	129 Å²	129	53.6 Å²	53.6	68%	0.675	28%	0.28	S	S	*	.	H	α-helix	trans	-68.6	-33.9	-178.2	-62.5	178	0	0	0	112.8	D873 Q879	D873-L875 VanDerWaalsContact C-N 3.3Å; D873-L875 PolarHBondContact O-N 3.42Å; D873-L875 VanDerWaalsContact O-N 3.12Å; L875-Q879 VanDerWaalsContact O-CB 3.31Å; L875-Q879 WeakPolarHBondContact O-CB 3.36Å; L875-Q879 PolarHBondContact O-N 3.18Å
876	R	90.6	Very high	90.3	Very high	115 Å²	115	55.2 Å²	55.2	43%	0.434	29%	0.287	S	S	.	.	H	α-helix	trans	-70.5	-46.9	177.1	-178.3	178.3	66.6	70.9	4.5	110.3	D873 Y874 L878 Q879 E880	D873-R876 HydrophobicContact CB-CB 4.34Å; D873-R876 WeakPolarHBondContact O-CA 3.27Å; D873-R876 WeakPolarHBondContact O-CB 3.29Å; D873-R876 PolarHBondContact O-N 3.27Å; D873-R876 IonicContact OD2-CZ 3.44Å; D873-R876 IonicContact OD2-NE 2.85Å; D873-R876 PolarHBondContact OD2-NE 2.94Å; D873-R876 IonicContact OD2-NH2 3.7Å; D873-R876 PolarHBondContact OD2-NH2 2.85Å; Y874-R876 PolarHBondContact O-N 2.93Å; R876-L878 PolarHBondContact O-N 2.94Å; R876-Q879 PolarHBondContact O-N 3.26Å; R876-Q879 VanDerWaalsContact O-N 3.14Å; R876-E880 WeakPolarHBondContact CD-OE1 3.39Å; R876-E880 HydrophobicContact CG-CG 4.37Å; R876-E880 WeakPolarHBondContact CG-OE1 3.38Å; R876-E880 IonicContact CZ-OE1 2.71Å; R876-E880 IonicContact NE-OE1 3.22Å; R876-E880 IonicContact NH1-OE1 2.87Å; R876-E880 PolarHBondContact NH1-OE1 3.04Å; R876-E880 IonicContact NH1-OE2 3.31Å; R876-E880 PolarHBondContact NH1-OE2 2.92Å; R876-E880 WeakPolarHBondContact O-CB 3.4Å; R876-E880 WeakPolarHBondContact O-CG 3.43Å; R876-E880 PolarHBondContact O-N 3.26Å
877	A	91.5	Very high	90.5	Very high	11 Å²	11	54.9 Å²	54.9	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-39.7	177.2	0	0	0	0	0	112.3	I868 D873 Y874 A881	I868-A877 HydrophobicContact CG2-CB 3.79Å; D873-A877 PolarHBondContact O-N 2.81Å; Y874-A877 PolarHBondContact O-N 2.68Å; A877-A881 VanDerWaalsContact O-CB 3.25Å; A877-A881 WeakPolarHBondContact O-CB 3.48Å; A877-A881 PolarHBondContact O-N 2.85Å
878	L	91.9	Very high	90.7	Very high	22 Å²	22	56.1 Å²	56.1	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-43.2	170.4	-82.5	-176.4	0	0	0	112.8	F856 T864 I868 Y874 R876 A881 D882	F856-L878 HydrophobicContact CB-CD2 3.92Å; T864-L878 HydrophobicContact CG2-CD2 4.36Å; I868-L878 HydrophobicContact CD1-CD2 4.02Å; I868-L878 HydrophobicContact CG2-CD2 4.19Å; I868-L878 HydrophobicContact CG2-CG 4.06Å; Y874-L878 HydrophobicContact CD1-CD1 4.47Å; Y874-L878 HydrophobicContact CD2-CD1 4.41Å; Y874-L878 HydrophobicContact CD2-CG 4.46Å; Y874-L878 HydrophobicContact CE1-CD1 3.82Å; Y874-L878 HydrophobicContact CE2-CD1 3.73Å; Y874-L878 HydrophobicContact CE2-CG 4.03Å; Y874-L878 VanDerWaalsContact CZ-CD1 3.41Å; Y874-L878 PolarHBondContact O-N 3.26Å; R876-L878 PolarHBondContact O-N 2.94Å; L878-A881 CarbonylContact O-C 3.3Å; L878-A881 PolarHBondContact O-N 3.37Å; L878-D882 PolarHBondContact O-N 3.33Å
879	Q	92.4	Very high	90.8	Very high	117 Å²	117	60.7 Å²	60.7	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-71.7	-36.8	-177.5	-175.2	-179.1	-16.9	0	0	112.7	L875 R876 A881 D882 M885	L875-Q879 VanDerWaalsContact O-CB 3.31Å; L875-Q879 WeakPolarHBondContact O-CB 3.36Å; L875-Q879 PolarHBondContact O-N 3.18Å; R876-Q879 PolarHBondContact O-N 3.26Å; R876-Q879 VanDerWaalsContact O-N 3.14Å; Q879-A881 PolarHBondContact O-N 3.48Å; Q879-D882 PolarHBondContact O-N 3.32Å; Q879-M885 HydrophobicContact CG-CE 4.35Å; Q879-M885 HydrophobicContact CG-CG 4.35Å
880	E	93.4	Very high	91.4	Very high	81 Å²	81	58.7 Å²	58.7	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-29.2	174	-74.4	169.5	-171.4	0	0	111.9	R876 K886	R876-E880 WeakPolarHBondContact CD-OE1 3.39Å; R876-E880 HydrophobicContact CG-CG 4.37Å; R876-E880 WeakPolarHBondContact CG-OE1 3.38Å; R876-E880 IonicContact CZ-OE1 2.71Å; R876-E880 IonicContact NE-OE1 3.22Å; R876-E880 IonicContact NH1-OE1 2.87Å; R876-E880 PolarHBondContact NH1-OE1 3.04Å; R876-E880 IonicContact NH1-OE2 3.31Å; R876-E880 PolarHBondContact NH1-OE2 2.92Å; R876-E880 WeakPolarHBondContact O-CB 3.4Å; R876-E880 WeakPolarHBondContact O-CG 3.43Å; R876-E880 PolarHBondContact O-N 3.26Å; E880-K886 VanDerWaalsContact O-CE 3.31Å; E880-K886 WeakPolarHBondContact O-CE 3.48Å
881	A	95.1	Very high	92	Very high	1 Å²	1	61 Å²	61	1%	0.008	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9.7	177.8	0	0	0	0	0	114.7	L793 Y830 F856 I868 A877 L878 Q879	L793-A881 WeakPolarHBondContact O-CB 3.49Å; Y830-A881 VanDerWaalsContact CE2-O 3.31Å; Y830-A881 WeakPolarHBondContact CE2-O 3.48Å; Y830-A881 WeakPolarHBondContact OH-CA 3.27Å; Y830-A881 WeakPolarHBondContact OH-CB 3.35Å; Y830-A881 PolarHBondContact OH-O 2.92Å; F856-A881 HydrophobicContact CD2-CB 3.92Å; F856-A881 HydrophobicContact CE2-CB 3.97Å; I868-A881 HydrophobicContact CD1-CB 4.31Å; A877-A881 VanDerWaalsContact O-CB 3.25Å; A877-A881 WeakPolarHBondContact O-CB 3.48Å; A877-A881 PolarHBondContact O-N 2.85Å; L878-A881 CarbonylContact O-C 3.3Å; L878-A881 PolarHBondContact O-N 3.37Å; Q879-A881 PolarHBondContact O-N 3.48Å
882	D	96.9	Very high	92.6	Very high	12 Å²	12	58 Å²	58	6%	0.064	33%	0.326	C	S	.	.			trans	-96.8	115.7	-179	-170.2	-23.6	0	0	0	111.9	N855 L878 Q879 T884 M885	N855-D882 PolarHBondContact ND2-OD2 3.08Å; L878-D882 PolarHBondContact O-N 3.33Å; Q879-D882 PolarHBondContact O-N 3.32Å; D882-T884 VanDerWaalsContact C-N 3.27Å; D882-T884 PolarHBondContact O-N 2.99Å; D882-T884 WeakPolarHBondContact OD1-CA 3.44Å; D882-T884 VanDerWaalsContact OD1-CB 3.28Å; D882-T884 WeakPolarHBondContact OD1-CB 3.48Å; D882-T884 WeakPolarHBondContact OD1-CG2 3.32Å; D882-T884 PolarHBondContact OD1-N 3.33Å; D882-T884 PolarHBondContact OD1-OG1 2.89Å; D882-T884 PolarHBondContact OD2-OG1 3.08Å; D882-M885 HydrophobicContact CB-CB 4.26Å; D882-M885 HydrophobicContact CB-CG 3.89Å; D882-M885 PolarHBondContact O-N 3.49Å
883	L	97.4	Very high	93.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-27.8	177.9	-69.1	178.1	0	0	0	112.9	Y830 M834 I837 V854 M885 K886 A887 L914	Y830-L883 HydrophobicContact CD2-CD1 3.74Å; Y830-L883 HydrophobicContact CD2-CD2 4.32Å; Y830-L883 HydrophobicContact CD2-CG 3.81Å; Y830-L883 HydrophobicContact CE2-CD1 4.36Å; Y830-L883 HydrophobicContact CE2-CD2 4.24Å; Y830-L883 HydrophobicContact CE2-CG 3.91Å; M834-L883 HydrophobicContact CB-CD2 4.2Å; M834-L883 HydrophobicContact CE-CD2 3.61Å; M834-L883 HydrophobicContact CE-CG 4.37Å; M834-L883 HydrophobicContact SD-CD2 3.76Å; I837-L883 HydrophobicContact CD1-CD2 3.61Å; V854-L883 HydrophobicContact CG1-CB 4.31Å; V854-L883 HydrophobicContact CG2-CD1 4.29Å; V854-L883 PolarHBondContact O-N 3.49Å; L883-M885 VanDerWaalsContact C-N 3.34Å; L883-K886 PolarHBondContact O-N 3.35Å; L883-A887 PolarHBondContact O-N 3.26Å; L883-A887 VanDerWaalsContact O-N 3.09Å; L883-L914 HydrophobicContact CB-CD1 4.13Å; L883-L914 HydrophobicContact CD1-CD2 4.36Å
884	T	97.6	Very high	94.1	Very high	31 Å²	31	54.2 Å²	54.2	19%	0.19	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-37.8	178.4	70.4	0	0	0	0	111.6	V854 D882 K886 A887 M913 A917	V854-T884 HydrophobicContact CG1-CG2 3.54Å; D882-T884 VanDerWaalsContact C-N 3.27Å; D882-T884 PolarHBondContact O-N 2.99Å; D882-T884 WeakPolarHBondContact OD1-CA 3.44Å; D882-T884 VanDerWaalsContact OD1-CB 3.28Å; D882-T884 WeakPolarHBondContact OD1-CB 3.48Å; D882-T884 WeakPolarHBondContact OD1-CG2 3.32Å; D882-T884 PolarHBondContact OD1-N 3.33Å; D882-T884 PolarHBondContact OD1-OG1 2.89Å; D882-T884 PolarHBondContact OD2-OG1 3.08Å; T884-K886 VanDerWaalsContact C-N 3.27Å; T884-K886 PolarHBondContact O-N 2.89Å; T884-A887 WeakPolarHBondContact O-CB 3.21Å; T884-A887 PolarHBondContact O-N 3.32Å; T884-M913 HydrophobicContact CG2-CB 4.03Å; T884-M913 HydrophobicContact CG2-CE 4.44Å; T884-A917 HydrophobicContact CG2-CB 4.34Å
885	M	96.4	Very high	94.6	Very high	116 Å²	116	52.2 Å²	52.2	57%	0.571	28%	0.279	S	S	*	.	H	α-helix	trans	-69	-26.2	178.1	-64.7	-61.1	-66	0	0	112.5	Q879 D882 L883	Q879-M885 HydrophobicContact CG-CE 4.35Å; Q879-M885 HydrophobicContact CG-CG 4.35Å; D882-M885 HydrophobicContact CB-CB 4.26Å; D882-M885 HydrophobicContact CB-CG 3.89Å; D882-M885 PolarHBondContact O-N 3.49Å; L883-M885 VanDerWaalsContact C-N 3.34Å
886	K	95.7	Very high	95.1	Very high	40 Å²	40	46.3 Å²	46.3	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-97.4	-0.8	177.9	-65.2	-177	177.3	-170.6	0	114.2	M834 I837 D838 E880 L883 T884 G888 N889	M834-K886 HydrophobicContact CE-CD 4.15Å; M834-K886 HydrophobicContact SD-CD 3.46Å; M834-K886 WeakPolarHBondContact SD-CD 3.42Å; M834-K886 PolarHBondContact SD-NZ 2.81Å; I837-K886 HydrophobicContact CD1-CB 4.04Å; I837-K886 HydrophobicContact CG2-CB 3.94Å; I837-K886 HydrophobicContact CG2-CD 3.88Å; I837-K886 HydrophobicContact CG2-CG 4.45Å; D838-K886 IonicContact OD1-NZ 3.37Å; D838-K886 IonicContact OD2-NZ 2.62Å; D838-K886 PolarHBondContact OD2-NZ 2.88Å; E880-K886 VanDerWaalsContact O-CE 3.31Å; E880-K886 WeakPolarHBondContact O-CE 3.48Å; L883-K886 PolarHBondContact O-N 3.35Å; T884-K886 VanDerWaalsContact C-N 3.27Å; T884-K886 PolarHBondContact O-N 2.89Å; K886-G888 PolarHBondContact O-N 3.01Å; K886-N889 WeakPolarHBondContact O-CB 3.34Å; K886-N889 PolarHBondContact O-N 3.06Å
887	A	96.1	Very high	95.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-55	-29.7	-169.4	0	0	0	0	0	115.2	L883 T884 N889 I890 L914 A917 L918	L883-A887 PolarHBondContact O-N 3.26Å; L883-A887 VanDerWaalsContact O-N 3.09Å; T884-A887 WeakPolarHBondContact O-CB 3.21Å; T884-A887 PolarHBondContact O-N 3.32Å; A887-N889 PolarHBondContact O-N 2.94Å; A887-I890 PolarHBondContact O-N 2.81Å; A887-L914 HydrophobicContact CB-CD1 4.37Å; A887-A917 HydrophobicContact CB-CB 3.83Å; A887-L918 HydrophobicContact CB-CD2 4.13Å; A887-L918 HydrophobicContact CB-CG 4.46Å
888	G	95	Very high	95.8	Very high	28 Å²	28	40.3 Å²	40.3	29%	0.289	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-61.5	-26.1	177.2	0	0	0	0	0	114.5	K886 I890 K891	K886-G888 PolarHBondContact O-N 3.01Å; G888-I890 VanDerWaalsContact C-N 3.25Å; G888-I890 PolarHBondContact O-N 2.8Å; G888-K891 VanDerWaalsContact O-CB 3.25Å; G888-K891 WeakPolarHBondContact O-CB 3.32Å; G888-K891 PolarHBondContact O-N 2.97Å
889	N	95.4	Very high	96.1	Very high	98 Å²	98	39.2 Å²	39.2	52%	0.524	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-72.2	-18	-179.7	-67.1	5.5	0	0	0	112.9	I837 K886 A887 K891	I837-N889 HydrophobicContact CG2-CB 3.94Å; K886-N889 WeakPolarHBondContact O-CB 3.34Å; K886-N889 PolarHBondContact O-N 3.06Å; A887-N889 PolarHBondContact O-N 2.94Å; N889-K891 PolarHBondContact O-N 2.86Å
890	I	96.1	Very high	96.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-76.5	-4	177.8	-57.2	163.8	0	0	0	111	L836 I837 A887 G888 G892 R893 L895 L918 V923	L836-I890 HydrophobicContact CD2-CG2 4.21Å; I837-I890 HydrophobicContact CD1-CD1 3.87Å; I837-I890 HydrophobicContact CD1-CG1 4.12Å; I837-I890 HydrophobicContact CG1-CD1 3.83Å; I837-I890 HydrophobicContact CG1-CG1 3.49Å; I837-I890 VanDerWaalsContact CG1-CG1 3.49Å; A887-I890 PolarHBondContact O-N 2.81Å; G888-I890 VanDerWaalsContact C-N 3.25Å; G888-I890 PolarHBondContact O-N 2.8Å; I890-G892 PolarHBondContact O-N 2.94Å; I890-R893 HydrophobicContact CG2-CB 4.27Å; I890-R893 WeakPolarHBondContact O-CB 3.35Å; I890-R893 PolarHBondContact O-N 3.38Å; I890-L895 HydrophobicContact CD1-CD2 3.86Å; I890-L895 HydrophobicContact CG2-CB 3.96Å; I890-L895 HydrophobicContact CG2-CD2 4.03Å; I890-L918 HydrophobicContact CB-CD2 4.14Å; I890-L918 HydrophobicContact CD1-CD2 3.81Å; I890-L918 HydrophobicContact CG2-CD2 4.35Å; I890-V923 HydrophobicContact CB-CG1 4.03Å; I890-V923 HydrophobicContact CG2-CG1 3.85Å
891	K	94.6	Very high	96.5	Very high	120 Å²	120	30.7 Å²	30.7	52%	0.522	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	105.9	-175.5	-165.6	164.3	-165.2	146.8	0	112.7	G888 N889 Q921 V923	G888-K891 VanDerWaalsContact O-CB 3.25Å; G888-K891 WeakPolarHBondContact O-CB 3.32Å; G888-K891 PolarHBondContact O-N 2.97Å; N889-K891 PolarHBondContact O-N 2.86Å; K891-Q921 PolarHBondContact NZ-O 2.77Å; K891-V923 HydrophobicContact CB-CG2 4.1Å
892	G	92.1	Very high	96.4	Very high	76 Å²	76	31 Å²	31	78%	0.784	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.2	2.9	-177.1	0	0	0	0	0	114.4	I890	I890-G892 PolarHBondContact O-N 2.94Å
893	R	94.9	Very high	96.4	Very high	31 Å²	31	30.4 Å²	30.4	12%	0.117	18%	0.178	C	C	.	.	S	Bend	trans	-98.7	150.4	176	-50.8	-75	-85.1	147.7	-0.4	109.7	L836 D839 L844 I890 L895	L836-R893 HydrophobicContact CD1-CB 4.18Å; L836-R893 HydrophobicContact CD2-CB 3.93Å; L836-R893 HydrophobicContact CG-CB 3.96Å; L836-R893 PolarHBondContact O-NE 3.27Å; L836-R893 PolarHBondContact O-NH2 2.89Å; D839-R893 IonicContact OD2-CZ 2.71Å; D839-R893 IonicContact OD2-NH1 2.75Å; D839-R893 IonicContact OD2-NH2 3.16Å; D839-R893 PolarHBondContact OD2-NH2 2.93Å; L844-R893 PolarHBondContact O-NH1 3.23Å; L844-R893 PolarHBondContact O-NH2 2.86Å; I890-R893 HydrophobicContact CG2-CB 4.27Å; I890-R893 WeakPolarHBondContact O-CB 3.35Å; I890-R893 PolarHBondContact O-N 3.38Å; R893-L895 PolarHBondContact O-N 3.21Å
894	N	96.5	Very high	96.1	Very high	63 Å²	63	32 Å²	32	34%	0.337	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.4	179.3	-60.2	-57.3	0	0	0	110.4	L836 Q845 C846 A847 Y951	L836-N894 WeakPolarHBondContact CD2-O 3.26Å; Q845-N894 WeakPolarHBondContact O-CB 3.28Å; Q845-N894 PolarHBondContact O-ND2 3.13Å; C846-N894 CarbonylContact C-O 3.57Å; C846-N894 VanDerWaalsContact CA-O 3.31Å; C846-N894 WeakPolarHBondContact CA-O 3.4Å; C846-N894 HydrophobicContact CB-CB 3.67Å; A847-N894 PolarHBondContact N-O 2.74Å; N894-Y951 WeakPolarHBondContact CB-OH 3.35Å; N894-Y951 PolarHBondContact O-OH 3.39Å
895	L	98.2	Very high	95.9	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133	173.9	-179.4	61.4	0	0	0	111.4	L836 A847 I890 R893 L897 L918 F925 R926 Y951	L836-L895 HydrophobicContact CD2-CB 3.85Å; L836-L895 HydrophobicContact CD2-CD1 4.22Å; A847-L895 HydrophobicContact CB-CD1 4.37Å; I890-L895 HydrophobicContact CD1-CD2 3.86Å; I890-L895 HydrophobicContact CG2-CB 3.96Å; I890-L895 HydrophobicContact CG2-CD2 4.03Å; R893-L895 PolarHBondContact O-N 3.21Å; L895-L897 HydrophobicContact CD1-CD2 4.16Å; L895-L897 HydrophobicContact CD2-CD2 4Å; L895-L897 HydrophobicContact CD2-CG 4.4Å; L895-L897 HydrophobicContact CG-CD2 4.06Å; L895-L897 HydrophobicContact CG-CG 4.36Å; L895-L918 HydrophobicContact CD2-CD1 4.2Å; L895-F925 HydrophobicContact CB-CB 4.46Å; L895-F925 WeakPolarHBondContact O-CA 3.5Å; L895-R926 PolarHBondContact O-N 3.48Å; L895-Y951 WeakPolarHBondContact CA-OH 3.02Å; L895-Y951 PolarHBondContact N-OH 3.34Å; L895-Y951 VanDerWaalsContact N-OH 3.16Å
896	M	98.4	Very high	95.9	Very high	5 Å²	5	27 Å²	27	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.6	164.9	-176.4	157.1	-163.8	0	0	111.3	A847 V848 A849 M898 R926 Q928 T947 Y951	A847-M896 PolarHBondContact O-N 2.89Å; V848-M896 CarbonylContact C-O 3.59Å; V848-M896 WeakPolarHBondContact CA-O 3.33Å; V848-M896 HydrophobicContact CG2-CB 4.36Å; A849-M896 PolarHBondContact N-O 2.8Å; M896-M898 HydrophobicContact CE-CE 3.9Å; M896-M898 HydrophobicContact CG-CE 4.31Å; M896-M898 HydrophobicContact CG-CG 4.47Å; M896-M898 HydrophobicContact SD-CE 3.87Å; M896-R926 WeakPolarHBondContact CA-O 3.33Å; M896-R926 HydrophobicContact CB-CB 4.11Å; M896-R926 HydrophobicContact CE-CB 4.18Å; M896-R926 HydrophobicContact CG-CB 3.83Å; M896-R926 HydrophobicContact SD-CB 4.05Å; M896-Q928 HydrophobicContact CE-CB 3.74Å; M896-T947 HydrophobicContact CE-CG2 3.5Å; M896-T947 HydrophobicContact SD-CG2 4.23Å; M896-Y951 HydrophobicContact CB-CD1 3.95Å; M896-Y951 HydrophobicContact CB-CD2 4.33Å; M896-Y951 HydrophobicContact CB-CE1 3.61Å; M896-Y951 HydrophobicContact CB-CE2 4.04Å; M896-Y951 HydrophobicContact CB-CG 4.27Å; M896-Y951 PolarHBondContact N-OH 3.31Å; M896-Y951 HydrophobicContact SD-CD1 4.39Å; M896-Y951 HydrophobicContact SD-CD2 4.02Å; M896-Y951 HydrophobicContact SD-CG 3.91Å
897	L	98.6	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135	173.9	-57.1	177.6	0	0	0	109.2	A849 L895 T911 L914 V915 L918 F925 R926 H927 Q928	A849-L897 HydrophobicContact CB-CD2 4.02Å; A849-L897 WeakPolarHBondContact O-CA 3.44Å; L895-L897 HydrophobicContact CD1-CD2 4.16Å; L895-L897 HydrophobicContact CD2-CD2 4Å; L895-L897 HydrophobicContact CD2-CG 4.4Å; L895-L897 HydrophobicContact CG-CD2 4.06Å; L895-L897 HydrophobicContact CG-CG 4.36Å; L897-T911 HydrophobicContact CB-CG2 4.24Å; L897-T911 HydrophobicContact CD1-CG2 4.25Å; L897-L914 HydrophobicContact CD1-CD2 4.2Å; L897-L914 HydrophobicContact CD1-CG 4.38Å; L897-L914 HydrophobicContact CD2-CD2 4.01Å; L897-V915 HydrophobicContact CD1-CG2 3.78Å; L897-L918 HydrophobicContact CD1-CD1 4.04Å; L897-F925 HydrophobicContact CD1-CD2 4.32Å; L897-R926 PolarHBondContact N-O 3.32Å; L897-H927 CarbonylContact O-C 3.51Å; L897-H927 WeakPolarHBondContact O-CA 3.41Å; L897-Q928 PolarHBondContact O-N 2.72Å
898	M	98.5	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.7	169.4	-55.4	-155.9	-164.8	0	0	110.2	V848 A849 I850 N851 M896 Q928 Y930 V944 T947 M948	V848-M898 HydrophobicContact CG1-CE 4.06Å; A849-M898 PolarHBondContact O-N 2.89Å; I850-M898 WeakPolarHBondContact CA-O 3.28Å; I850-M898 HydrophobicContact CB-CB 4.5Å; I850-M898 HydrophobicContact CG1-CB 4.26Å; I850-M898 HydrophobicContact CG2-CB 4.2Å; N851-M898 PolarHBondContact N-O 3.02Å; M896-M898 HydrophobicContact CE-CE 3.9Å; M896-M898 HydrophobicContact CG-CE 4.31Å; M896-M898 HydrophobicContact CG-CG 4.47Å; M896-M898 HydrophobicContact SD-CE 3.87Å; M898-Q928 VanDerWaalsContact CA-O 3.29Å; M898-Q928 WeakPolarHBondContact CA-O 3.36Å; M898-Q928 HydrophobicContact CG-CB 4.2Å; M898-Y930 HydrophobicContact CB-CE2 4.36Å; M898-Y930 HydrophobicContact SD-CE2 4Å; M898-V944 HydrophobicContact SD-CG1 4.05Å; M898-T947 HydrophobicContact CE-CG2 3.69Å; M898-M948 HydrophobicContact CE-CB 4.5Å; M898-M948 HydrophobicContact CE-CG 3.48Å; M898-M948 VanDerWaalsContact CE-CG 3.48Å; M898-M948 HydrophobicContact SD-CG 4.47Å
899	H	98.4	Very high	95.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	136.3	-179.9	-148.6	104.3	0	0	0	114.9	N851 D903 V906 Q908 T911 Q928 V929 Y930	N851-H899 VanDerWaalsContact OD1-CA 3.25Å; N851-H899 WeakPolarHBondContact OD1-CA 3.28Å; H899-D903 IonicContact NE2-OD2 2.77Å; H899-V906 PolarHBondContact CE1-O 3.14Å; H899-V906 PolarHBondContact NE2-O 3.26Å; H899-Q908 HydrophobicContact CB-CG 4.49Å; H899-Q908 WeakPolarHBondContact NE2-CA 3.35Å; H899-Q908 PolarHBondContact NE2-N 3.3Å; H899-T911 HydrophobicContact CB-CG2 4.12Å; H899-T911 WeakPolarHBondContact ND1-CB 3.41Å; H899-T911 PolarHBondContact ND1-OG1 2.91Å; H899-Q928 PolarHBondContact N-O 2.75Å; H899-V929 WeakPolarHBondContact O-CA 3.46Å; H899-Y930 PolarHBondContact O-N 2.75Å
900	G	97.6	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.4	173.9	0	0	0	0	0	113.8	N851 A902 D903 Y930 E933	N851-G900 PolarHBondContact OD1-N 2.91Å; G900-A902 PolarHBondContact O-N 2.97Å; G900-A902 VanDerWaalsContact O-N 3.14Å; G900-D903 WeakPolarHBondContact O-CB 3.42Å; G900-D903 PolarHBondContact O-N 3.47Å; G900-Y930 CarbonylContact C-O 3.58Å; G900-Y930 WeakPolarHBondContact CA-O 3.32Å; G900-E933 CarbonylContact C-O 3.6Å; G900-E933 VanDerWaalsContact C-O 3.25Å; G900-E933 WeakPolarHBondContact CA-O 3.29Å
901	T	96	Very high	96.2	Very high	19 Å²	19	22.4 Å²	22.4	12%	0.117	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.6	-171.4	69.9	0	0	0	0	114.9	V929 Y930 P931 D932	T901-V929 HydrophobicContact CG2-CG1 3.31Å; T901-Y930 PolarHBondContact N-O 2.88Å; T901-P931 WeakPolarHBondContact OG1-CA 3.28Å; T901-D932 PolarHBondContact OG1-N 2.79Å
902	A	94.6	Very high	96.3	Very high	6 Å²	6	20.6 Å²	20.6	5%	0.05	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	22.1	177.2	0	0	0	0	0	112.1	Y353 W355 G900 T904 E933	Y353-A902 HydrophobicContact CD2-CB 4.1Å; Y353-A902 HydrophobicContact CE2-CB 3.75Å; W355-A902 HydrophobicContact CE3-CB 3.94Å; W355-A902 HydrophobicContact CZ3-CB 3.8Å; G900-A902 PolarHBondContact O-N 2.97Å; G900-A902 VanDerWaalsContact O-N 3.14Å; A902-T904 PolarHBondContact O-N 2.76Å; A902-E933 CarbonylContact C-O 3.59Å; A902-E933 VanDerWaalsContact C-O 3.3Å; A902-E933 WeakPolarHBondContact CA-O 3.39Å; A902-E933 PolarHBondContact N-O 3.23Å
903	D	95.6	Very high	96.6	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.1	C	C	.	.			trans	-61.5	115.5	172	-168.6	-28.4	0	0	0	110.8	N851 H899 G900 L905 V906 H907 E933 H935	N851-D903 VanDerWaalsContact CB-OD2 3.26Å; N851-D903 WeakPolarHBondContact CB-OD2 3.14Å; N851-D903 PolarHBondContact ND2-OD2 3.31Å; H899-D903 IonicContact NE2-OD2 2.77Å; G900-D903 WeakPolarHBondContact O-CB 3.42Å; G900-D903 PolarHBondContact O-N 3.47Å; D903-L905 PolarHBondContact OD1-N 3.28Å; D903-V906 VanDerWaalsContact CG-O 3.28Å; D903-V906 PolarHBondContact OD1-N 3.03Å; D903-H907 PolarHBondContact O-CD2 3.17Å; D903-E933 PolarHBondContact N-O 3.12Å; D903-H935 WeakPolarHBondContact OD1-CB 3.49Å; D903-H935 IonicContact OD1-CG 3.1Å; D903-H935 IonicContact OD1-ND1 3.01Å; D903-H935 PolarHBondContact OD1-ND1 2.94Å; D903-H935 IonicContact OD2-CE1 2.7Å; D903-H935 IonicContact OD2-CG 2.75Å; D903-H935 IonicContact OD2-ND1 2.75Å; D903-H935 PolarHBondContact OD2-ND1 3.2Å
904	T	91.7	Very high	96.8	Very high	35 Å²	35	18 Å²	18	22%	0.215	10%	0.095	C	C	.	.	S	Bend	trans	-97.9	-2.2	179.5	56.4	0	0	0	0	113.8	W314 Y353 Y370 A902	W314-T904 VanDerWaalsContact CE2-O 3.27Å; W314-T904 WeakPolarHBondContact CZ2-O 3.48Å; W314-T904 PolarHBondContact NE1-O 3.39Å; Y353-T904 HydrophobicContact CE1-CG2 4.27Å; Y370-T904 WeakPolarHBondContact CE2-O 3.4Å; A902-T904 PolarHBondContact O-N 2.76Å
905	L	92.9	Very high	96.9	Very high	39 Å²	39	16.2 Å²	16.2	20%	0.204	9%	0.086	C	C	.	.	S	Bend	trans	-103.2	-48.3	179	-176.1	65.8	0	0	0	111.7	W314 N318 Y370 H859 Y860 D903 H935	W314-L905 HydrophobicContact CH2-CD1 3.97Å; W314-L905 HydrophobicContact CZ2-CB 4.5Å; W314-L905 HydrophobicContact CZ2-CD1 3.77Å; N318-L905 HydrophobicContact CB-CD1 4.27Å; Y370-L905 PolarHBondContact OH-O 2.98Å; H859-L905 PolarHBondContact CE1-O 2.89Å; H859-L905 PolarHBondContact ND1-O 3.15Å; Y860-L905 HydrophobicContact CD1-CD1 4.47Å; Y860-L905 HydrophobicContact CE1-CD1 3.94Å; D903-L905 PolarHBondContact OD1-N 3.28Å; L905-H935 HydrophobicContact CB-CB 4.05Å
906	V	96.3	Very high	96.9	Very high	2 Å²	2	24 Å²	24	1%	0.012	12%	0.115	C	C	.	.	S	Bend	trans	-125.8	77.4	178.1	-172.4	0	0	0	0	107.9	N851 I853 H899 D903 H910	N851-V906 VanDerWaalsContact O-CG1 3.3Å; N851-V906 WeakPolarHBondContact O-CG1 3.43Å; I853-V906 HydrophobicContact CB-CG1 4.31Å; I853-V906 HydrophobicContact CD1-CG2 4.39Å; I853-V906 HydrophobicContact CG1-CB 4.43Å; I853-V906 HydrophobicContact CG1-CG1 3.66Å; I853-V906 HydrophobicContact CG1-CG2 3.79Å; H899-V906 PolarHBondContact CE1-O 3.14Å; H899-V906 PolarHBondContact NE2-O 3.26Å; D903-V906 VanDerWaalsContact CG-O 3.28Å; D903-V906 PolarHBondContact OD1-N 3.03Å; V906-H910 HydrophobicContact CG1-CB 4.44Å; V906-H910 VanDerWaalsContact CG1-CD2 3.42Å; V906-H910 WeakPolarHBondContact CG1-CD2 3.38Å
907	H	96.3	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.			trans	-45.8	147.3	-174.2	-55.6	147.4	0	0	0	115	Y351 Y370 D903 E909 H910	Y351-H907 AromaticContact CD1-CD2 3.32Å; Y351-H907 WeakPolarHBondContact CD1-CD2 3.39Å; Y351-H907 AromaticContact CD1-CE1 3.64Å; Y351-H907 AromaticContact CD1-CG 3.72Å; Y351-H907 AromaticContact CD1-ND1 3.89Å; Y351-H907 AromaticContact CD1-NE2 3.27Å; Y351-H907 VanDerWaalsContact CD1-NE2 3.27Å; Y351-H907 WeakPolarHBondContact CD1-NE2 3.26Å; Y351-H907 AromaticContact CD2-CE1 3.86Å; Y351-H907 AromaticContact CD2-ND1 3.68Å; Y351-H907 HydrophobicContact CE1-CB 3.91Å; Y351-H907 AromaticContact CE1-CD2 3.36Å; Y351-H907 WeakPolarHBondContact CE1-CD2 3.36Å; Y351-H907 AromaticContact CE1-CG 3.54Å; Y351-H907 AromaticContact CE1-NE2 3.86Å; Y351-H907 HydrophobicContact CE2-CB 4.03Å; Y351-H907 AromaticContact CE2-CG 3.93Å; Y351-H907 AromaticContact CE2-ND1 3.91Å; Y351-H907 AromaticContact CG-CD2 3.9Å; Y351-H907 AromaticContact CG-CE1 3.41Å; Y351-H907 VanDerWaalsContact CG-CE1 3.41Å; Y351-H907 AromaticContact CG-CG 3.97Å; Y351-H907 AromaticContact CG-ND1 3.67Å; Y351-H907 AromaticContact CG-NE2 3.54Å; Y351-H907 AromaticContact CZ-CG 3.67Å; Y370-H907 AromaticContact CD1-CE1 3.56Å; Y370-H907 AromaticContact CD2-CE1 3.47Å; Y370-H907 VanDerWaalsContact CD2-CE1 3.47Å; Y370-H907 WeakPolarHBondContact CD2-CE1 3.47Å; Y370-H907 AromaticContact CD2-NE2 3.27Å; Y370-H907 VanDerWaalsContact CD2-NE2 3.27Å; Y370-H907 WeakPolarHBondContact CD2-NE2 3.3Å; Y370-H907 AromaticContact CE1-CE1 3.67Å; Y370-H907 AromaticContact CE2-CE1 3.57Å; Y370-H907 AromaticContact CE2-NE2 3.41Å; Y370-H907 WeakPolarHBondContact CE2-NE2 3.27Å; Y370-H907 AromaticContact CG-CE1 3.44Å; Y370-H907 VanDerWaalsContact CG-CE1 3.44Å; Y370-H907 AromaticContact CG-NE2 3.7Å; Y370-H907 AromaticContact CZ-CE1 3.65Å; Y370-H907 AromaticContact CZ-NE2 3.95Å; D903-H907 PolarHBondContact O-CD2 3.17Å; H907-E909 HydrophobicContact CB-CG 3.94Å; H907-E909 WeakPolarHBondContact CB-OE1 3.35Å; H907-E909 IonicContact CE1-OE1 3.41Å; H907-E909 IonicContact CG-OE1 2.67Å; H907-E909 IonicContact ND1-OE1 3.38Å; H907-E909 PolarHBondContact ND1-OE1 2.6Å; H907-E909 PolarHBondContact O-N 3.16Å; H907-H910 WeakPolarHBondContact O-CB 3.45Å; H907-H910 PolarHBondContact O-CD2 2.9Å; H907-H910 PolarHBondContact O-N 2.83Å
908	Q	95.9	Very high	96.8	Very high	33 Å²	33	24.2 Å²	24.2	15%	0.154	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-21.5	178.6	-158.1	-171.9	14	0	0	114.4	H899 H910 T911 L912	H899-Q908 HydrophobicContact CB-CG 4.49Å; H899-Q908 WeakPolarHBondContact NE2-CA 3.35Å; H899-Q908 PolarHBondContact NE2-N 3.3Å; Q908-H910 PolarHBondContact O-N 3.4Å; Q908-T911 PolarHBondContact O-N 3.01Å; Q908-L912 HydrophobicContact CG-CD1 4.08Å; Q908-L912 HydrophobicContact CG-CG 4.18Å; Q908-L912 WeakPolarHBondContact O-CG 3.41Å; Q908-L912 PolarHBondContact O-N 2.94Å
909	E	95.8	Very high	96.8	Very high	39 Å²	39	28.7 Å²	28.7	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-53.6	-36.1	172.8	76.8	-166.1	130.2	0	0	112.7	K372 F858 H907 L912 M913	K372-E909 WeakPolarHBondContact CE-OE1 3.43Å; K372-E909 IonicContact NZ-OE1 2.66Å; K372-E909 PolarHBondContact NZ-OE1 3.45Å; K372-E909 IonicContact NZ-OE2 3.29Å; K372-E909 PolarHBondContact NZ-OE2 3.37Å; F858-E909 WeakPolarHBondContact CD1-OE2 3.49Å; H907-E909 HydrophobicContact CB-CG 3.94Å; H907-E909 WeakPolarHBondContact CB-OE1 3.35Å; H907-E909 IonicContact CE1-OE1 3.41Å; H907-E909 IonicContact CG-OE1 2.67Å; H907-E909 IonicContact ND1-OE1 3.38Å; H907-E909 PolarHBondContact ND1-OE1 2.6Å; H907-E909 PolarHBondContact O-N 3.16Å; E909-L912 PolarHBondContact O-N 2.81Å; E909-M913 WeakPolarHBondContact O-CB 2.91Å; E909-M913 VanDerWaalsContact O-CG 3.23Å; E909-M913 WeakPolarHBondContact O-CG 3.23Å; E909-M913 PolarHBondContact O-N 2.68Å
910	H	98.1	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-56.2	177.1	-73.1	-65.3	0	0	0	111.5	P852 V854 N855 V906 H907 Q908 L912 M913 L914	P852-H910 WeakPolarHBondContact O-CB 3.23Å; V854-H910 HydrophobicContact CB-CB 3.92Å; V854-H910 WeakPolarHBondContact CB-O 3.12Å; V854-H910 WeakPolarHBondContact CG1-O 3.24Å; V854-H910 HydrophobicContact CG2-CB 4.1Å; V854-H910 VanDerWaalsContact CG2-O 3.28Å; V854-H910 WeakPolarHBondContact CG2-O 3.45Å; N855-H910 PolarHBondContact O-CE1 3.36Å; N855-H910 VanDerWaalsContact O-CE1 3.23Å; V906-H910 HydrophobicContact CG1-CB 4.44Å; V906-H910 VanDerWaalsContact CG1-CD2 3.42Å; V906-H910 WeakPolarHBondContact CG1-CD2 3.38Å; H907-H910 WeakPolarHBondContact O-CB 3.45Å; H907-H910 PolarHBondContact O-CD2 2.9Å; H907-H910 PolarHBondContact O-N 2.83Å; Q908-H910 PolarHBondContact O-N 3.4Å; H910-L912 VanDerWaalsContact C-N 3.33Å; H910-L912 PolarHBondContact O-N 2.94Å; H910-M913 WeakPolarHBondContact O-CB 3.42Å; H910-M913 PolarHBondContact O-N 2.95Å; H910-L914 PolarHBondContact O-N 2.83Å
911	T	98.2	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-35.7	-180	-70	0	0	0	0	111.9	P852 L897 H899 Q908 M913 L914 V915 H927	P852-T911 WeakPolarHBondContact CD-OG1 3.25Å; P852-T911 WeakPolarHBondContact CG-OG1 3.36Å; L897-T911 HydrophobicContact CB-CG2 4.24Å; L897-T911 HydrophobicContact CD1-CG2 4.25Å; H899-T911 HydrophobicContact CB-CG2 4.12Å; H899-T911 WeakPolarHBondContact ND1-CB 3.41Å; H899-T911 PolarHBondContact ND1-OG1 2.91Å; Q908-T911 PolarHBondContact O-N 3.01Å; T911-M913 VanDerWaalsContact C-N 3.35Å; T911-M913 PolarHBondContact O-N 2.82Å; T911-L914 PolarHBondContact O-N 2.84Å; T911-V915 HydrophobicContact CG2-CG2 4.11Å; T911-V915 WeakPolarHBondContact O-CB 3.47Å; T911-V915 VanDerWaalsContact O-CG2 3.24Å; T911-V915 WeakPolarHBondContact O-CG2 3.31Å; T911-V915 PolarHBondContact O-N 3.41Å; T911-H927 WeakPolarHBondContact CG2-NE2 3.45Å
912	L	97.9	Very high	96.9	Very high	82 Å²	82	45.7 Å²	45.7	43%	0.429	22%	0.224	S	C	.	.	H	α-helix	trans	-66.8	-33.4	176.5	-67	173.2	0	0	0	112.9	Q908 E909 H910 R916	Q908-L912 HydrophobicContact CG-CD1 4.08Å; Q908-L912 HydrophobicContact CG-CG 4.18Å; Q908-L912 WeakPolarHBondContact O-CG 3.41Å; Q908-L912 PolarHBondContact O-N 2.94Å; E909-L912 PolarHBondContact O-N 2.81Å; H910-L912 VanDerWaalsContact C-N 3.33Å; H910-L912 PolarHBondContact O-N 2.94Å; L912-R916 WeakPolarHBondContact O-CB 3.48Å; L912-R916 PolarHBondContact O-N 3.31Å
913	M	98.1	Very high	97	Very high	50 Å²	50	45.8 Å²	45.8	25%	0.246	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-45.4	170.4	-74.9	169.9	59.6	0	0	111.9	V854 N855 F858 T884 E909 H910 T911 R916 A917	V854-M913 HydrophobicContact CG1-CB 4.39Å; N855-M913 HydrophobicContact CB-CE 4.03Å; F858-M913 HydrophobicContact CD1-SD 4.18Å; F858-M913 HydrophobicContact CD2-CE 3.85Å; F858-M913 HydrophobicContact CD2-SD 3.99Å; F858-M913 HydrophobicContact CE1-SD 4.16Å; F858-M913 HydrophobicContact CE2-CE 3.6Å; F858-M913 HydrophobicContact CE2-SD 3.98Å; F858-M913 HydrophobicContact CG-SD 4.11Å; F858-M913 HydrophobicContact CZ-CE 4.11Å; F858-M913 HydrophobicContact CZ-SD 4.07Å; T884-M913 HydrophobicContact CG2-CB 4.03Å; T884-M913 HydrophobicContact CG2-CE 4.44Å; E909-M913 WeakPolarHBondContact O-CB 2.91Å; E909-M913 VanDerWaalsContact O-CG 3.23Å; E909-M913 WeakPolarHBondContact O-CG 3.23Å; E909-M913 PolarHBondContact O-N 2.68Å; H910-M913 WeakPolarHBondContact O-CB 3.42Å; H910-M913 PolarHBondContact O-N 2.95Å; T911-M913 VanDerWaalsContact C-N 3.35Å; T911-M913 PolarHBondContact O-N 2.82Å; M913-R916 PolarHBondContact O-N 3.16Å; M913-A917 PolarHBondContact O-N 3.22Å
914	L	98.4	Very high	97	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-44.6	177.5	-178.2	58.2	0	0	0	112.1	V854 L883 A887 L897 H910 T911 R916 A917 L918	V854-L914 HydrophobicContact CG1-CB 3.85Å; V854-L914 HydrophobicContact CG2-CB 3.82Å; V854-L914 HydrophobicContact CG2-CD2 4.05Å; L883-L914 HydrophobicContact CB-CD1 4.13Å; L883-L914 HydrophobicContact CD1-CD2 4.36Å; A887-L914 HydrophobicContact CB-CD1 4.37Å; L897-L914 HydrophobicContact CD1-CD2 4.2Å; L897-L914 HydrophobicContact CD1-CG 4.38Å; L897-L914 HydrophobicContact CD2-CD2 4.01Å; H910-L914 PolarHBondContact O-N 2.83Å; T911-L914 PolarHBondContact O-N 2.84Å; L914-R916 VanDerWaalsContact C-N 3.26Å; L914-R916 PolarHBondContact O-N 2.87Å; L914-A917 PolarHBondContact O-N 2.91Å; L914-A917 VanDerWaalsContact O-N 3.15Å; L914-L918 HydrophobicContact CD1-CD1 4.2Å; L914-L918 HydrophobicContact CD1-CG 4.11Å; L914-L918 HydrophobicContact CG-CD1 3.86Å; L914-L918 HydrophobicContact CG-CG 4.27Å; L914-L918 WeakPolarHBondContact O-CB 3.43Å; L914-L918 VanDerWaalsContact O-CG 3.27Å; L914-L918 WeakPolarHBondContact O-CG 3.32Å; L914-L918 PolarHBondContact O-N 3.39Å
915	V	98.4	Very high	97.3	Very high	26 Å²	26	55.4 Å²	55.4	16%	0.158	26%	0.263	C	S	.	.	H	α-helix	trans	-54.4	-43.8	174.1	163.6	0	0	0	0	110.8	L897 T911 V919 F925	L897-V915 HydrophobicContact CD1-CG2 3.78Å; T911-V915 HydrophobicContact CG2-CG2 4.11Å; T911-V915 WeakPolarHBondContact O-CB 3.47Å; T911-V915 VanDerWaalsContact O-CG2 3.24Å; T911-V915 WeakPolarHBondContact O-CG2 3.31Å; T911-V915 PolarHBondContact O-N 3.41Å; V915-V919 VanDerWaalsContact O-CG2 3.31Å; V915-V919 WeakPolarHBondContact O-CG2 3.42Å; V915-V919 PolarHBondContact O-N 2.97Å; V915-F925 HydrophobicContact CB-CE2 4.47Å; V915-F925 HydrophobicContact CB-CZ 4.46Å; V915-F925 HydrophobicContact CG1-CE2 4.24Å; V915-F925 HydrophobicContact CG1-CZ 4.04Å; V915-F925 HydrophobicContact CG2-CE2 3.94Å; V915-F925 HydrophobicContact CG2-CZ 4.41Å
916	R	98.4	Very high	97.5	Very high	165 Å²	165	57.8 Å²	57.8	62%	0.623	27%	0.269	S	S	*	.	H	α-helix	trans	-61.3	-50.6	175.2	178.8	179.5	170.7	-173.1	-8.3	111.9	L912 M913 L914 L918 V919 E920	L912-R916 WeakPolarHBondContact O-CB 3.48Å; L912-R916 PolarHBondContact O-N 3.31Å; M913-R916 PolarHBondContact O-N 3.16Å; L914-R916 VanDerWaalsContact C-N 3.26Å; L914-R916 PolarHBondContact O-N 2.87Å; R916-L918 VanDerWaalsContact C-N 3.34Å; R916-L918 PolarHBondContact O-N 2.94Å; R916-V919 PolarHBondContact O-N 2.66Å; R916-E920 IonicContact CZ-OE1 3.97Å; R916-E920 VanDerWaalsContact CZ-OE1 3.25Å; R916-E920 IonicContact NE-OE1 3.89Å; R916-E920 PolarHBondContact NE-OE1 3.03Å; R916-E920 IonicContact NH2-OE1 2.85Å; R916-E920 PolarHBondContact NH2-OE1 2.68Å; R916-E920 WeakPolarHBondContact O-CG 3.3Å; R916-E920 PolarHBondContact O-N 3.47Å
917	A	98.3	Very high	97.6	Very high	11 Å²	11	60.7 Å²	60.7	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-40.7	-179.7	0	0	0	0	0	112.3	T884 A887 M913 L914 V919 E920 Q921	T884-A917 HydrophobicContact CG2-CB 4.34Å; A887-A917 HydrophobicContact CB-CB 3.83Å; M913-A917 PolarHBondContact O-N 3.22Å; L914-A917 PolarHBondContact O-N 2.91Å; L914-A917 VanDerWaalsContact O-N 3.15Å; A917-V919 PolarHBondContact O-N 3.16Å; A917-E920 PolarHBondContact O-N 3.08Å; A917-Q921 WeakPolarHBondContact O-CB 3.43Å; A917-Q921 WeakPolarHBondContact O-CG 3.39Å; A917-Q921 PolarHBondContact O-N 3.34Å
918	L	98.4	Very high	97.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-41	175.7	-70.1	168.3	0	0	0	112.2	A887 I890 L895 L897 L914 R916 Q921 Q922 V923 F925	A887-L918 HydrophobicContact CB-CD2 4.13Å; A887-L918 HydrophobicContact CB-CG 4.46Å; I890-L918 HydrophobicContact CB-CD2 4.14Å; I890-L918 HydrophobicContact CD1-CD2 3.81Å; I890-L918 HydrophobicContact CG2-CD2 4.35Å; L895-L918 HydrophobicContact CD2-CD1 4.2Å; L897-L918 HydrophobicContact CD1-CD1 4.04Å; L914-L918 HydrophobicContact CD1-CD1 4.2Å; L914-L918 HydrophobicContact CD1-CG 4.11Å; L914-L918 HydrophobicContact CG-CD1 3.86Å; L914-L918 HydrophobicContact CG-CG 4.27Å; L914-L918 WeakPolarHBondContact O-CB 3.43Å; L914-L918 VanDerWaalsContact O-CG 3.27Å; L914-L918 WeakPolarHBondContact O-CG 3.32Å; L914-L918 PolarHBondContact O-N 3.39Å; R916-L918 VanDerWaalsContact C-N 3.34Å; R916-L918 PolarHBondContact O-N 2.94Å; L918-Q921 PolarHBondContact O-N 3.41Å; L918-Q922 PolarHBondContact O-N 3.2Å; L918-Q922 VanDerWaalsContact O-N 3.14Å; L918-V923 HydrophobicContact CB-CB 4.28Å; L918-V923 HydrophobicContact CD2-CB 3.79Å; L918-V923 HydrophobicContact CD2-CG1 3.75Å; L918-V923 HydrophobicContact CD2-CG2 4.13Å; L918-V923 PolarHBondContact O-N 2.89Å; L918-F925 HydrophobicContact CB-CD1 3.68Å; L918-F925 HydrophobicContact CB-CE1 3.53Å; L918-F925 HydrophobicContact CB-CZ 4.32Å; L918-F925 HydrophobicContact CD1-CB 4.36Å; L918-F925 HydrophobicContact CD1-CD1 3.83Å; L918-F925 HydrophobicContact CD1-CD2 4.34Å; L918-F925 HydrophobicContact CD1-CE1 4.22Å; L918-F925 HydrophobicContact CD1-CG 3.91Å; L918-F925 HydrophobicContact CG-CD1 4.3Å
919	V	98.2	Very high	97.7	Very high	93 Å²	93	64.3 Å²	64.3	56%	0.564	30%	0.302	S	S	*	.	H	α-helix	trans	-66.1	-44.5	175	169.4	0	0	0	0	111.3	V915 R916 A917 Q921 Q922 F925	V915-V919 VanDerWaalsContact O-CG2 3.31Å; V915-V919 WeakPolarHBondContact O-CG2 3.42Å; V915-V919 PolarHBondContact O-N 2.97Å; R916-V919 PolarHBondContact O-N 2.66Å; A917-V919 PolarHBondContact O-N 3.16Å; V919-Q921 VanDerWaalsContact C-N 3.25Å; V919-Q921 PolarHBondContact O-N 3.19Å; V919-Q922 PolarHBondContact O-N 2.84Å; V919-F925 HydrophobicContact CG2-CE1 4.06Å; V919-F925 HydrophobicContact CG2-CZ 4.02Å
920	E	98.1	Very high	97.8	Very high	118 Å²	118	63 Å²	63	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-32.6	176.4	-72.1	176.9	179	0	0	112.1	R916 A917	R916-E920 IonicContact CZ-OE1 3.97Å; R916-E920 VanDerWaalsContact CZ-OE1 3.25Å; R916-E920 IonicContact NE-OE1 3.89Å; R916-E920 PolarHBondContact NE-OE1 3.03Å; R916-E920 IonicContact NH2-OE1 2.85Å; R916-E920 PolarHBondContact NH2-OE1 2.68Å; R916-E920 WeakPolarHBondContact O-CG 3.3Å; R916-E920 PolarHBondContact O-N 3.47Å; A917-E920 PolarHBondContact O-N 3.08Å
921	Q	97.9	Very high	97.7	Very high	101 Å²	101	66.8 Å²	66.8	47%	0.472	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.9	175.1	-63.8	-59	-34	0	0	115	K891 A917 L918 V919 V923	K891-Q921 PolarHBondContact NZ-O 2.77Å; A917-Q921 WeakPolarHBondContact O-CB 3.43Å; A917-Q921 WeakPolarHBondContact O-CG 3.39Å; A917-Q921 PolarHBondContact O-N 3.34Å; L918-Q921 PolarHBondContact O-N 3.41Å; V919-Q921 VanDerWaalsContact C-N 3.25Å; V919-Q921 PolarHBondContact O-N 3.19Å; Q921-V923 VanDerWaalsContact C-N 3.3Å; Q921-V923 HydrophobicContact CB-CG2 3.98Å; Q921-V923 PolarHBondContact O-N 3.34Å
922	Q	97.2	Very high	97.5	Very high	157 Å²	157	67.6 Å²	67.6	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	37.7	-175.9	-53.1	179.9	-28.7	0	0	113.8	L918 V919	L918-Q922 PolarHBondContact O-N 3.2Å; L918-Q922 VanDerWaalsContact O-N 3.14Å; V919-Q922 PolarHBondContact O-N 2.84Å
923	V	97.4	Very high	97.4	Very high	9 Å²	9	64 Å²	64	6%	0.055	31%	0.305	C	S	.	.			trans	-83.9	142	175.3	-179	0	0	0	0	109.9	I890 K891 L918 Q921 F925	I890-V923 HydrophobicContact CB-CG1 4.03Å; I890-V923 HydrophobicContact CG2-CG1 3.85Å; K891-V923 HydrophobicContact CB-CG2 4.1Å; L918-V923 HydrophobicContact CB-CB 4.28Å; L918-V923 HydrophobicContact CD2-CB 3.79Å; L918-V923 HydrophobicContact CD2-CG1 3.75Å; L918-V923 HydrophobicContact CD2-CG2 4.13Å; L918-V923 PolarHBondContact O-N 2.89Å; Q921-V923 VanDerWaalsContact C-N 3.3Å; Q921-V923 HydrophobicContact CB-CG2 3.98Å; Q921-V923 PolarHBondContact O-N 3.34Å; V923-F925 WeakPolarHBondContact O-CD1 3.26Å
924	K	95.9	Very high	97.1	Very high	187 Å²	187	65 Å²	65	81%	0.813	31%	0.312	S	S	*	.			trans	-91.5	131.9	171.1	-64.6	-178.5	-178.6	178.6	0	109.3
925	F	97.3	Very high	97	Very high	51 Å²	51	67 Å²	67	22%	0.224	32%	0.321	C	S	.	.			trans	-149.7	167	178.4	58.1	-83.2	0	0	0	109.1	L895 L897 V915 L918 V919 V923 H927	L895-F925 HydrophobicContact CB-CB 4.46Å; L895-F925 WeakPolarHBondContact O-CA 3.5Å; L897-F925 HydrophobicContact CD1-CD2 4.32Å; V915-F925 HydrophobicContact CB-CE2 4.47Å; V915-F925 HydrophobicContact CB-CZ 4.46Å; V915-F925 HydrophobicContact CG1-CE2 4.24Å; V915-F925 HydrophobicContact CG1-CZ 4.04Å; V915-F925 HydrophobicContact CG2-CE2 3.94Å; V915-F925 HydrophobicContact CG2-CZ 4.41Å; L918-F925 HydrophobicContact CB-CD1 3.68Å; L918-F925 HydrophobicContact CB-CE1 3.53Å; L918-F925 HydrophobicContact CB-CZ 4.32Å; L918-F925 HydrophobicContact CD1-CB 4.36Å; L918-F925 HydrophobicContact CD1-CD1 3.83Å; L918-F925 HydrophobicContact CD1-CD2 4.34Å; L918-F925 HydrophobicContact CD1-CE1 4.22Å; L918-F925 HydrophobicContact CD1-CG 3.91Å; L918-F925 HydrophobicContact CG-CD1 4.3Å; V919-F925 HydrophobicContact CG2-CE1 4.06Å; V919-F925 HydrophobicContact CG2-CZ 4.02Å; V923-F925 WeakPolarHBondContact O-CD1 3.26Å; F925-H927 HydrophobicContact CD2-CB 4.15Å; F925-H927 HydrophobicContact CE2-CB 3.95Å
926	R	97.5	Very high	96.7	Very high	88 Å²	88	68.1 Å²	68.1	33%	0.332	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	145.3	165.6	-67.6	-172.6	179.2	171.5	4.2	109.9	L895 M896 L897 Y951 E954	L895-R926 PolarHBondContact O-N 3.48Å; M896-R926 WeakPolarHBondContact CA-O 3.33Å; M896-R926 HydrophobicContact CB-CB 4.11Å; M896-R926 HydrophobicContact CE-CB 4.18Å; M896-R926 HydrophobicContact CG-CB 3.83Å; M896-R926 HydrophobicContact SD-CB 4.05Å; L897-R926 PolarHBondContact N-O 3.32Å; R926-Y951 HydrophobicContact CG-CE2 4.5Å; R926-E954 IonicContact CZ-OE2 2.98Å; R926-E954 IonicContact NH1-OE2 2.7Å; R926-E954 PolarHBondContact NH1-OE2 3.47Å; R926-E954 IonicContact NH2-OE2 3.27Å; R926-E954 PolarHBondContact NH2-OE2 3.36Å
927	H	97.5	Very high	96.6	Very high	64 Å²	64	60.2 Å²	60.2	30%	0.296	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	117.4	176.7	179.5	-144.2	0	0	0	109.1	L897 T911 F925 V929	L897-H927 CarbonylContact O-C 3.51Å; L897-H927 WeakPolarHBondContact O-CA 3.41Å; T911-H927 WeakPolarHBondContact CG2-NE2 3.45Å; F925-H927 HydrophobicContact CD2-CB 4.15Å; F925-H927 HydrophobicContact CE2-CB 3.95Å; H927-V929 WeakPolarHBondContact CE1-CG2 3.48Å
928	Q	97.6	Very high	96.2	Very high	64 Å²	64	63 Å²	63	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.6	174.8	-179.2	61.4	57	0	0	109	M896 L897 M898 H899 Y930	M896-Q928 HydrophobicContact CE-CB 3.74Å; L897-Q928 PolarHBondContact O-N 2.72Å; M898-Q928 VanDerWaalsContact CA-O 3.29Å; M898-Q928 WeakPolarHBondContact CA-O 3.36Å; M898-Q928 HydrophobicContact CG-CB 4.2Å; H899-Q928 PolarHBondContact N-O 2.75Å; Q928-Y930 HydrophobicContact CB-CE2 4.38Å; Q928-Y930 HydrophobicContact CG-CD2 4.19Å; Q928-Y930 HydrophobicContact CG-CE1 4.41Å; Q928-Y930 HydrophobicContact CG-CE2 3.49Å; Q928-Y930 VanDerWaalsContact CG-CE2 3.49Å
929	V	97.1	Very high	95.9	Very high	45 Å²	45	70.5 Å²	70.5	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.6	174.9	179.3	0	0	0	0	108.9	H899 T901 H927	H899-V929 WeakPolarHBondContact O-CA 3.46Å; T901-V929 HydrophobicContact CG2-CG1 3.31Å; H927-V929 WeakPolarHBondContact CE1-CG2 3.48Å
930	Y	97.6	Very high	95.8	Very high	11 Å²	11	67.9 Å²	67.9	4%	0.043	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	102.8	174.3	-71.3	-79.3	0	0	0	109.1	M898 H899 G900 T901 Q928 I937 H943 V944	M898-Y930 HydrophobicContact CB-CE2 4.36Å; M898-Y930 HydrophobicContact SD-CE2 4Å; H899-Y930 PolarHBondContact O-N 2.75Å; G900-Y930 CarbonylContact C-O 3.58Å; G900-Y930 WeakPolarHBondContact CA-O 3.32Å; T901-Y930 PolarHBondContact N-O 2.88Å; Q928-Y930 HydrophobicContact CB-CE2 4.38Å; Q928-Y930 HydrophobicContact CG-CD2 4.19Å; Q928-Y930 HydrophobicContact CG-CE1 4.41Å; Q928-Y930 HydrophobicContact CG-CE2 3.49Å; Q928-Y930 VanDerWaalsContact CG-CE2 3.49Å; Y930-I937 HydrophobicContact CD1-CG2 4.15Å; Y930-I937 HydrophobicContact CD2-CD1 4.11Å; Y930-I937 HydrophobicContact CD2-CG2 4.11Å; Y930-I937 HydrophobicContact CG-CG2 3.8Å; Y930-H943 HydrophobicContact CE1-CB 4.24Å; Y930-H943 AromaticContact CE1-ND1 3.62Å; Y930-H943 AromaticContact CZ-ND1 3.73Å; Y930-H943 PolarHBondContact OH-ND1 2.8Å; Y930-V944 HydrophobicContact CD2-CG2 4.36Å; Y930-V944 HydrophobicContact CE1-CG2 4.15Å; Y930-V944 HydrophobicContact CE2-CG2 3.72Å; Y930-V944 WeakPolarHBondContact OH-CA 3.32Å; Y930-V944 PolarHBondContact OH-N 3.29Å
931	P	95.3	Very high	95.6	Very high	80 Å²	80	64 Å²	64	52%	0.519	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	140.8	179.7	-23.5	34.8	0	0	0	112.8	M356 T901 E933	M356-P931 HydrophobicContact CG-CB 4.42Å; T901-P931 WeakPolarHBondContact OG1-CA 3.28Å; P931-E933 WeakPolarHBondContact O-CG 3.27Å; P931-E933 PolarHBondContact O-N 3.1Å; P931-E933 VanDerWaalsContact O-N 3.12Å
932	D	94.3	Very high	95.4	Very high	16 Å²	16	61.6 Å²	61.6	9%	0.086	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	25.1	174.1	-60.3	-8.3	0	0	0	115.2	W355 M356 G357 T901	W355-D932 WeakPolarHBondContact CA-OD1 3.28Å; W355-D932 HydrophobicContact CD2-CB 4.24Å; W355-D932 HydrophobicContact CE3-CB 3.87Å; W355-D932 HydrophobicContact CH2-CB 3.83Å; W355-D932 HydrophobicContact CZ2-CB 4.19Å; W355-D932 HydrophobicContact CZ3-CB 3.65Å; W355-D932 WeakPolarHBondContact CZ3-O 3.47Å; M356-D932 WeakPolarHBondContact CA-OD2 3.49Å; M356-D932 WeakPolarHBondContact CB-OD2 3.37Å; M356-D932 PolarHBondContact N-OD1 2.93Å; M356-D932 PolarHBondContact N-OD2 2.74Å; M356-D932 VanDerWaalsContact N-OD2 3.15Å; G357-D932 PolarHBondContact N-OD2 2.77Å; T901-D932 PolarHBondContact OG1-N 2.79Å
933	E	95.6	Very high	95.4	Very high	6 Å²	6	59 Å²	59	3%	0.028	31%	0.305	C	S	.	.			trans	-107.1	143.8	178.6	-71.9	-92.8	-142.4	0	0	110.7	G900 A902 D903 P931 I937 A938 R939 S940	G900-E933 CarbonylContact C-O 3.6Å; G900-E933 VanDerWaalsContact C-O 3.25Å; G900-E933 WeakPolarHBondContact CA-O 3.29Å; A902-E933 CarbonylContact C-O 3.59Å; A902-E933 VanDerWaalsContact C-O 3.3Å; A902-E933 WeakPolarHBondContact CA-O 3.39Å; A902-E933 PolarHBondContact N-O 3.23Å; D903-E933 PolarHBondContact N-O 3.12Å; P931-E933 WeakPolarHBondContact O-CG 3.27Å; P931-E933 PolarHBondContact O-N 3.1Å; P931-E933 VanDerWaalsContact O-N 3.12Å; E933-I937 HydrophobicContact CB-CB 4.4Å; E933-I937 HydrophobicContact CB-CG1 4.43Å; E933-I937 HydrophobicContact CB-CG2 4Å; E933-I937 HydrophobicContact CG-CG2 4.07Å; E933-I937 VanDerWaalsContact OE2-C 3.26Å; E933-I937 WeakPolarHBondContact OE2-CA 3.47Å; E933-A938 PolarHBondContact OE2-N 2.79Å; E933-A938 VanDerWaalsContact OE2-N 3.15Å; E933-R939 WeakPolarHBondContact OE1-CA 3.24Å; E933-R939 VanDerWaalsContact OE1-CB 3.26Å; E933-R939 WeakPolarHBondContact OE1-CB 3.15Å; E933-R939 PolarHBondContact OE1-N 2.82Å; E933-R939 PolarHBondContact OE2-N 2.79Å; E933-R939 VanDerWaalsContact OE2-N 3.16Å; E933-S940 WeakPolarHBondContact OE1-CA 3.34Å; E933-S940 WeakPolarHBondContact OE1-CB 3.42Å; E933-S940 PolarHBondContact OE1-N 2.76Å; E933-S940 PolarHBondContact OE1-OG 3.39Å
934	D	93.3	Very high	95.3	Very high	73 Å²	73	58.6 Å²	58.6	39%	0.39	30%	0.303	S	S	.	.			trans	-87.7	-165.5	-174.4	71.3	-8.5	0	0	0	112.7	N851 A936 I937	N851-D934 PolarHBondContact ND2-O 3.33Å; D934-A936 PolarHBondContact O-N 3.49Å; D934-A936 WeakPolarHBondContact OD1-CA 3.37Å; D934-A936 PolarHBondContact OD1-N 2.86Å; D934-I937 WeakPolarHBondContact O-CG1 3.11Å; D934-I937 PolarHBondContact O-N 3.4Å; D934-I937 PolarHBondContact OD1-N 3.19Å
935	H	94.9	Very high	95.3	Very high	41 Å²	41	52 Å²	52	19%	0.19	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.1	176	-163.7	69	0	0	0	113.7	W825 N851 D903 L905	W825-H935 AromaticContact CD1-CE1 3.87Å; W825-H935 AromaticContact CD1-NE2 3.38Å; W825-H935 VanDerWaalsContact CE2-O 3.24Å; W825-H935 VanDerWaalsContact CZ2-O 3.24Å; W825-H935 WeakPolarHBondContact CZ2-O 3.09Å; W825-H935 AromaticContact NE1-CD2 3.79Å; W825-H935 AromaticContact NE1-CE1 3.88Å; W825-H935 AromaticContact NE1-NE2 3.51Å; W825-H935 PolarHBondContact NE1-O 3.26Å; N851-H935 WeakPolarHBondContact ND2-CA 3.36Å; N851-H935 PolarHBondContact ND2-O 2.87Å; D903-H935 WeakPolarHBondContact OD1-CB 3.49Å; D903-H935 IonicContact OD1-CG 3.1Å; D903-H935 IonicContact OD1-ND1 3.01Å; D903-H935 PolarHBondContact OD1-ND1 2.94Å; D903-H935 IonicContact OD2-CE1 2.7Å; D903-H935 IonicContact OD2-CG 2.75Å; D903-H935 IonicContact OD2-ND1 2.75Å; D903-H935 PolarHBondContact OD2-ND1 3.2Å; L905-H935 HydrophobicContact CB-CB 4.05Å
936	A	93.3	Very high	95.2	Very high	50 Å²	50	55.2 Å²	55.2	41%	0.413	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-16.2	-179.5	0	0	0	0	0	113.6	W825 D934 A938	W825-A936 WeakPolarHBondContact CH2-O 3.36Å; D934-A936 PolarHBondContact O-N 3.49Å; D934-A936 WeakPolarHBondContact OD1-CA 3.37Å; D934-A936 PolarHBondContact OD1-N 2.86Å; A936-A938 HydrophobicContact CB-CB 4.49Å; A936-A938 PolarHBondContact O-N 2.91Å
937	I	95.1	Very high	95.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.			trans	52.2	44.7	-177.5	-46.8	175	0	0	0	110.6	W825 I850 Y930 E933 D934 R939 S940 L941 V944	W825-I937 HydrophobicContact CH2-CB 4.22Å; W825-I937 HydrophobicContact CH2-CD1 4.1Å; W825-I937 HydrophobicContact CH2-CG1 4.22Å; W825-I937 HydrophobicContact CZ2-CB 4.31Å; W825-I937 HydrophobicContact CZ2-CD1 3.95Å; W825-I937 HydrophobicContact CZ2-CG1 3.92Å; I850-I937 HydrophobicContact CG2-CD1 3.94Å; Y930-I937 HydrophobicContact CD1-CG2 4.15Å; Y930-I937 HydrophobicContact CD2-CD1 4.11Å; Y930-I937 HydrophobicContact CD2-CG2 4.11Å; Y930-I937 HydrophobicContact CG-CG2 3.8Å; E933-I937 HydrophobicContact CB-CB 4.4Å; E933-I937 HydrophobicContact CB-CG1 4.43Å; E933-I937 HydrophobicContact CB-CG2 4Å; E933-I937 HydrophobicContact CG-CG2 4.07Å; E933-I937 VanDerWaalsContact OE2-C 3.26Å; E933-I937 WeakPolarHBondContact OE2-CA 3.47Å; D934-I937 WeakPolarHBondContact O-CG1 3.11Å; D934-I937 PolarHBondContact O-N 3.4Å; D934-I937 PolarHBondContact OD1-N 3.19Å; I937-R939 PolarHBondContact O-N 3.28Å; I937-S940 PolarHBondContact O-N 2.94Å; I937-L941 WeakPolarHBondContact O-CB 3.11Å; I937-L941 PolarHBondContact O-N 3.15Å; I937-V944 HydrophobicContact CB-CG2 4.34Å; I937-V944 HydrophobicContact CD1-CG2 4.48Å; I937-V944 HydrophobicContact CG2-CG2 3.76Å
938	A	91.4	Very high	95.2	Very high	69 Å²	69	48.6 Å²	48.6	57%	0.57	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-27.4	-162.5	0	0	0	0	0	114.5	E933 A936	E933-A938 PolarHBondContact OE2-N 2.79Å; E933-A938 VanDerWaalsContact OE2-N 3.15Å; A936-A938 HydrophobicContact CB-CB 4.49Å; A936-A938 PolarHBondContact O-N 2.91Å
939	R	91.6	Very high	95	Very high	157 Å²	157	47 Å²	47	59%	0.592	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-36.9	178.8	-49.9	159.6	69.2	175.7	2.2	110.6	D358 E933 I937	D358-R939 IonicContact OD1-NH2 2.85Å; D358-R939 IonicContact OD2-NH2 2.71Å; E933-R939 WeakPolarHBondContact OE1-CA 3.24Å; E933-R939 VanDerWaalsContact OE1-CB 3.26Å; E933-R939 WeakPolarHBondContact OE1-CB 3.15Å; E933-R939 PolarHBondContact OE1-N 2.82Å; E933-R939 PolarHBondContact OE2-N 2.79Å; E933-R939 VanDerWaalsContact OE2-N 3.16Å; I937-R939 PolarHBondContact O-N 3.28Å
940	S	95.6	Very high	94.9	Very high	39 Å²	39	50.5 Å²	50.5	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	4.8	-171	-52.5	0	0	0	0	113.8	E933 I937 S942 H943 V944	E933-S940 WeakPolarHBondContact OE1-CA 3.34Å; E933-S940 WeakPolarHBondContact OE1-CB 3.42Å; E933-S940 PolarHBondContact OE1-N 2.76Å; E933-S940 PolarHBondContact OE1-OG 3.39Å; I937-S940 PolarHBondContact O-N 2.94Å; S940-S942 PolarHBondContact O-N 3.2Å; S940-H943 WeakPolarHBondContact O-CA 3.28Å; S940-H943 VanDerWaalsContact O-CB 3.26Å; S940-H943 WeakPolarHBondContact O-CB 3.49Å; S940-H943 PolarHBondContact O-N 3.13Å; S940-V944 PolarHBondContact O-N 3.03Å
941	L	94	Very high	94.9	Very high	37 Å²	37	50.3 Å²	50.3	19%	0.194	26%	0.261	C	S	.	.	H	α-helix	trans	-51.5	-33.9	-179	-169.8	63.4	0	0	0	113.9	L85 W825 I937 H943 V944 Y945	L85-L941 HydrophobicContact CD2-CB 4.35Å; L85-L941 HydrophobicContact CD2-CD2 3.98Å; L85-L941 HydrophobicContact CD2-CG 4.08Å; W825-L941 HydrophobicContact CH2-CD1 4.14Å; W825-L941 HydrophobicContact CZ3-CD1 4.23Å; I937-L941 WeakPolarHBondContact O-CB 3.11Å; I937-L941 PolarHBondContact O-N 3.15Å; L941-H943 VanDerWaalsContact C-N 3.3Å; L941-H943 PolarHBondContact O-N 2.79Å; L941-V944 HydrophobicContact CD1-CB 4.47Å; L941-V944 WeakPolarHBondContact O-CB 3.15Å; L941-V944 PolarHBondContact O-N 2.9Å; L941-Y945 HydrophobicContact CD1-CD1 4.46Å; L941-Y945 HydrophobicContact CD1-CE1 3.86Å; L941-Y945 HydrophobicContact CD1-CE2 4.17Å; L941-Y945 HydrophobicContact CD2-CE2 4.02Å; L941-Y945 HydrophobicContact CG-CD2 4.27Å; L941-Y945 HydrophobicContact CG-CE1 4.34Å; L941-Y945 HydrophobicContact CG-CE2 3.73Å; L941-Y945 PolarHBondContact O-N 2.96Å
942	S	94.3	Very high	94.9	Very high	50 Å²	50	46.5 Å²	46.5	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-32.8	173.5	-169.6	0	0	0	0	113.4	S940 K946	S940-S942 PolarHBondContact O-N 3.2Å; S942-K946 WeakPolarHBondContact O-CD 3.33Å; S942-K946 WeakPolarHBondContact O-CG 3.36Å
943	H	96.5	Very high	94.9	Very high	102 Å²	102	47.8 Å²	47.8	47%	0.472	24%	0.243	S	C	.	.	H	α-helix	trans	-77.3	-41.2	172.4	-169	-81	0	0	0	111.3	Y930 S940 L941 Y945 K946 T947	Y930-H943 HydrophobicContact CE1-CB 4.24Å; Y930-H943 AromaticContact CE1-ND1 3.62Å; Y930-H943 AromaticContact CZ-ND1 3.73Å; Y930-H943 PolarHBondContact OH-ND1 2.8Å; S940-H943 WeakPolarHBondContact O-CA 3.28Å; S940-H943 VanDerWaalsContact O-CB 3.26Å; S940-H943 WeakPolarHBondContact O-CB 3.49Å; S940-H943 PolarHBondContact O-N 3.13Å; L941-H943 VanDerWaalsContact C-N 3.3Å; L941-H943 PolarHBondContact O-N 2.79Å; H943-Y945 PolarHBondContact O-N 3.43Å; H943-K946 PolarHBondContact O-N 3.16Å; H943-T947 PolarHBondContact CE1-OG1 3.36Å; H943-T947 VanDerWaalsContact CE1-OG1 3.25Å; H943-T947 PolarHBondContact ND1-OG1 3.5Å; H943-T947 VanDerWaalsContact ND1-OG1 3.13Å; H943-T947 WeakPolarHBondContact O-CB 3.41Å; H943-T947 PolarHBondContact O-N 3.11Å; H943-T947 PolarHBondContact O-OG1 3.38Å
944	V	96.6	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-51.3	-58.7	174.3	177.1	0	0	0	0	110.4	W825 I850 M898 Y930 I937 S940 L941 K946 T947 M948	W825-V944 HydrophobicContact CZ3-CG1 4.41Å; I850-V944 HydrophobicContact CD1-CG1 4.19Å; M898-V944 HydrophobicContact SD-CG1 4.05Å; Y930-V944 HydrophobicContact CD2-CG2 4.36Å; Y930-V944 HydrophobicContact CE1-CG2 4.15Å; Y930-V944 HydrophobicContact CE2-CG2 3.72Å; Y930-V944 WeakPolarHBondContact OH-CA 3.32Å; Y930-V944 PolarHBondContact OH-N 3.29Å; I937-V944 HydrophobicContact CB-CG2 4.34Å; I937-V944 HydrophobicContact CD1-CG2 4.48Å; I937-V944 HydrophobicContact CG2-CG2 3.76Å; S940-V944 PolarHBondContact O-N 3.03Å; L941-V944 HydrophobicContact CD1-CB 4.47Å; L941-V944 WeakPolarHBondContact O-CB 3.15Å; L941-V944 PolarHBondContact O-N 2.9Å; V944-K946 PolarHBondContact O-N 2.9Å; V944-T947 WeakPolarHBondContact O-CB 3.36Å; V944-T947 PolarHBondContact O-N 3Å; V944-T947 VanDerWaalsContact O-N 3.07Å; V944-M948 HydrophobicContact CG1-CG 4.48Å; V944-M948 HydrophobicContact CG1-SD 3.92Å; V944-M948 WeakPolarHBondContact O-CG 3.2Å; V944-M948 PolarHBondContact O-N 3.31Å
945	Y	95.9	Very high	94.8	Very high	48 Å²	48	49 Å²	49	19%	0.188	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-42.4	-178.8	-67.9	-24.7	0	0	0	113.5	L85 W758 L941 H943 T947 M948 E949	L85-Y945 HydrophobicContact CD2-CD2 4.03Å; L85-Y945 HydrophobicContact CD2-CE2 3.83Å; W758-Y945 HydrophobicContact CB-CD1 4.15Å; W758-Y945 HydrophobicContact CB-CD2 4.36Å; W758-Y945 HydrophobicContact CB-CE1 3.8Å; W758-Y945 HydrophobicContact CB-CE2 4.01Å; W758-Y945 HydrophobicContact CB-CG 4.43Å; W758-Y945 AromaticContact CD1-CD1 3.95Å; W758-Y945 AromaticContact CD1-CD2 3.8Å; W758-Y945 AromaticContact CD1-CG 3.61Å; W758-Y945 AromaticContact CD2-CD1 3.64Å; W758-Y945 HydrophobicContact CD2-CD1 3.64Å; W758-Y945 HydrophobicContact CD2-CE1 4.04Å; W758-Y945 HydrophobicContact CD2-CG 4.08Å; W758-Y945 AromaticContact CE2-CD1 3.93Å; W758-Y945 HydrophobicContact CE3-CD1 4.11Å; W758-Y945 HydrophobicContact CE3-CE1 4.32Å; W758-Y945 AromaticContact CG-CD1 3.66Å; W758-Y945 HydrophobicContact CG-CD1 3.66Å; W758-Y945 HydrophobicContact CG-CD2 4.08Å; W758-Y945 AromaticContact CG-CE1 3.83Å; W758-Y945 HydrophobicContact CG-CE1 3.83Å; W758-Y945 HydrophobicContact CG-CE2 4.23Å; W758-Y945 AromaticContact CG-CG 3.81Å; W758-Y945 HydrophobicContact CG-CG 3.81Å; W758-Y945 WeakPolarHBondContact CZ2-O 3.44Å; W758-Y945 AromaticContact NE1-CG 3.77Å; L941-Y945 HydrophobicContact CD1-CD1 4.46Å; L941-Y945 HydrophobicContact CD1-CE1 3.86Å; L941-Y945 HydrophobicContact CD1-CE2 4.17Å; L941-Y945 HydrophobicContact CD2-CE2 4.02Å; L941-Y945 HydrophobicContact CG-CD2 4.27Å; L941-Y945 HydrophobicContact CG-CE1 4.34Å; L941-Y945 HydrophobicContact CG-CE2 3.73Å; L941-Y945 PolarHBondContact O-N 2.96Å; H943-Y945 PolarHBondContact O-N 3.43Å; Y945-T947 VanDerWaalsContact C-N 3.35Å; Y945-T947 PolarHBondContact O-N 2.88Å; Y945-M948 HydrophobicContact CD1-SD 4.39Å; Y945-M948 PolarHBondContact O-N 2.59Å; Y945-E949 WeakPolarHBondContact O-CB 3.13Å; Y945-E949 PolarHBondContact O-N 3.32Å
946	K	94.8	Very high	94.7	Very high	120 Å²	120	48.4 Å²	48.4	52%	0.522	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-36.2	175.7	-72.3	174.9	-178.4	179.2	0	113	S942 H943 V944 M948 W950	S942-K946 WeakPolarHBondContact O-CD 3.33Å; S942-K946 WeakPolarHBondContact O-CG 3.36Å; H943-K946 PolarHBondContact O-N 3.16Å; V944-K946 PolarHBondContact O-N 2.9Å; K946-M948 VanDerWaalsContact C-N 3.34Å; K946-W950 WeakPolarHBondContact O-CB 3.47Å; K946-W950 PolarHBondContact O-N 2.79Å
947	T	97.1	Very high	94.1	Very high	12 Å²	12	47.3 Å²	47.3	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-38.2	177.3	-53.6	0	0	0	0	110.7	M896 M898 H943 V944 Y945 W950 Y951	M896-T947 HydrophobicContact CE-CG2 3.5Å; M896-T947 HydrophobicContact SD-CG2 4.23Å; M898-T947 HydrophobicContact CE-CG2 3.69Å; H943-T947 PolarHBondContact CE1-OG1 3.36Å; H943-T947 VanDerWaalsContact CE1-OG1 3.25Å; H943-T947 PolarHBondContact ND1-OG1 3.5Å; H943-T947 VanDerWaalsContact ND1-OG1 3.13Å; H943-T947 WeakPolarHBondContact O-CB 3.41Å; H943-T947 PolarHBondContact O-N 3.11Å; H943-T947 PolarHBondContact O-OG1 3.38Å; V944-T947 WeakPolarHBondContact O-CB 3.36Å; V944-T947 PolarHBondContact O-N 3Å; V944-T947 VanDerWaalsContact O-N 3.07Å; Y945-T947 VanDerWaalsContact C-N 3.35Å; Y945-T947 PolarHBondContact O-N 2.88Å; T947-W950 HydrophobicContact CG2-CE3 4.49Å; T947-Y951 VanDerWaalsContact O-CB 3.3Å; T947-Y951 WeakPolarHBondContact O-CB 3.3Å; T947-Y951 PolarHBondContact O-N 3.45Å; T947-Y951 VanDerWaalsContact O-N 3.07Å
948	M	96.7	Very high	92.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-69.8	-43.8	174.8	-60.4	171.8	75.5	0	0	112.3	W758 F823 V848 I850 M898 V944 Y945 K946 Y951 F952	W758-M948 HydrophobicContact CE3-CE 4.37Å; W758-M948 HydrophobicContact CH2-CB 3.4Å; W758-M948 VanDerWaalsContact CH2-CB 3.4Å; W758-M948 HydrophobicContact CH2-CE 3.71Å; W758-M948 HydrophobicContact CH2-CG 4.23Å; W758-M948 HydrophobicContact CH2-SD 3.84Å; W758-M948 HydrophobicContact CZ2-CB 3.86Å; W758-M948 HydrophobicContact CZ3-CB 4.3Å; W758-M948 HydrophobicContact CZ3-CE 3.4Å; W758-M948 HydrophobicContact CZ3-SD 3.83Å; F823-M948 HydrophobicContact CB-CE 3.6Å; F823-M948 HydrophobicContact CD1-CE 4.26Å; F823-M948 HydrophobicContact CD2-CE 3.56Å; F823-M948 HydrophobicContact CE2-CE 4.29Å; F823-M948 HydrophobicContact CG-CE 3.53Å; V848-M948 HydrophobicContact CB-CE 4.41Å; V848-M948 HydrophobicContact CG1-CE 4.17Å; V848-M948 HydrophobicContact CG1-CG 4.26Å; I850-M948 HydrophobicContact CD1-CE 3.81Å; I850-M948 HydrophobicContact CD1-SD 3.68Å; M898-M948 HydrophobicContact CE-CB 4.5Å; M898-M948 HydrophobicContact CE-CG 3.48Å; M898-M948 VanDerWaalsContact CE-CG 3.48Å; M898-M948 HydrophobicContact SD-CG 4.47Å; V944-M948 HydrophobicContact CG1-CG 4.48Å; V944-M948 HydrophobicContact CG1-SD 3.92Å; V944-M948 WeakPolarHBondContact O-CG 3.2Å; V944-M948 PolarHBondContact O-N 3.31Å; Y945-M948 HydrophobicContact CD1-SD 4.39Å; Y945-M948 PolarHBondContact O-N 2.59Å; K946-M948 VanDerWaalsContact C-N 3.34Å; M948-Y951 PolarHBondContact O-N 3.29Å; M948-F952 HydrophobicContact CE-CZ 4.43Å; M948-F952 WeakPolarHBondContact O-CG 3.46Å; M948-F952 PolarHBondContact O-N 2.61Å
949	E	94.7	Very high	90.9	Very high	29 Å²	29	54.2 Å²	54.2	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-56.5	-51.5	176.5	-175.8	-178.2	153.5	0	0	111.1	Y761 R766 Y945 Y951 F952 D953	Y761-E949 VanDerWaalsContact CE1-OE2 3.27Å; Y761-E949 WeakPolarHBondContact CE1-OE2 3.09Å; Y761-E949 PolarHBondContact OH-OE1 3.34Å; Y761-E949 PolarHBondContact OH-OE2 2.91Å; R766-E949 WeakPolarHBondContact CD-OE1 3.48Å; R766-E949 IonicContact CZ-OE1 3.28Å; R766-E949 IonicContact NE-OE1 2.72Å; R766-E949 IonicContact NH1-OE1 3.63Å; R766-E949 PolarHBondContact NH1-OE1 3.22Å; Y945-E949 WeakPolarHBondContact O-CB 3.13Å; Y945-E949 PolarHBondContact O-N 3.32Å; E949-Y951 VanDerWaalsContact C-N 3.32Å; E949-Y951 PolarHBondContact O-N 2.87Å; E949-F952 PolarHBondContact O-N 3.14Å; E949-D953 PolarHBondContact O-N 3.15Å
950	W	95.1	Very high	88.8	Confident	119 Å²	119	52.3 Å²	52.3	45%	0.451	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-39.1	174.9	166.3	62.4	0	0	0	113	K946 T947 E954	K946-W950 WeakPolarHBondContact O-CB 3.47Å; K946-W950 PolarHBondContact O-N 2.79Å; T947-W950 HydrophobicContact CG2-CE3 4.49Å; W950-E954 VanDerWaalsContact CE2-CD 3.47Å; W950-E954 VanDerWaalsContact CE2-OE1 3.3Å; W950-E954 WeakPolarHBondContact CZ2-OE1 3.21Å; W950-E954 WeakPolarHBondContact CZ2-OE2 3.46Å; W950-E954 PolarHBondContact NE1-OE1 3.21Å; W950-E954 PolarHBondContact O-N 2.81Å; W950-E954 VanDerWaalsContact O-N 3.08Å
951	Y	96.9	Very high	86.5	Confident	7 Å²	7	56.2 Å²	56.2	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-39.1	178.4	-176.8	-112.2	0	0	0	112.8	C846 V848 N894 L895 M896 R926 T947 M948 E949 C955	C846-Y951 HydrophobicContact CB-CE1 4Å; V848-Y951 HydrophobicContact CG2-CD1 3.44Å; V848-Y951 VanDerWaalsContact CG2-CD1 3.44Å; V848-Y951 HydrophobicContact CG2-CE1 3.74Å; N894-Y951 WeakPolarHBondContact CB-OH 3.35Å; N894-Y951 PolarHBondContact O-OH 3.39Å; L895-Y951 WeakPolarHBondContact CA-OH 3.02Å; L895-Y951 PolarHBondContact N-OH 3.34Å; L895-Y951 VanDerWaalsContact N-OH 3.16Å; M896-Y951 HydrophobicContact CB-CD1 3.95Å; M896-Y951 HydrophobicContact CB-CD2 4.33Å; M896-Y951 HydrophobicContact CB-CE1 3.61Å; M896-Y951 HydrophobicContact CB-CE2 4.04Å; M896-Y951 HydrophobicContact CB-CG 4.27Å; M896-Y951 PolarHBondContact N-OH 3.31Å; M896-Y951 HydrophobicContact SD-CD1 4.39Å; M896-Y951 HydrophobicContact SD-CD2 4.02Å; M896-Y951 HydrophobicContact SD-CG 3.91Å; R926-Y951 HydrophobicContact CG-CE2 4.5Å; T947-Y951 VanDerWaalsContact O-CB 3.3Å; T947-Y951 WeakPolarHBondContact O-CB 3.3Å; T947-Y951 PolarHBondContact O-N 3.45Å; T947-Y951 VanDerWaalsContact O-N 3.07Å; M948-Y951 PolarHBondContact O-N 3.29Å; E949-Y951 VanDerWaalsContact C-N 3.32Å; E949-Y951 PolarHBondContact O-N 2.87Å; Y951-C955 WeakPolarHBondContact O-CB 3.2Å; Y951-C955 PolarHBondContact O-N 2.76Å; Y951-C955 VanDerWaalsContact O-N 3.09Å; Y951-C955 PolarHBondContact O-SG 3.45Å
952	F	96.2	Very high	84	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-46.6	174.1	-66.3	-27.5	0	0	0	111.4	V738 W758 L762 F768 C821 F823 V848 M948 E949 E954 C955 F956	V738-F952 HydrophobicContact CB-CE2 4.42Å; V738-F952 HydrophobicContact CG1-CD2 4.46Å; V738-F952 HydrophobicContact CG1-CE2 3.59Å; V738-F952 HydrophobicContact CG1-CZ 3.66Å; V738-F952 HydrophobicContact CG2-CD2 3.93Å; V738-F952 HydrophobicContact CG2-CE2 3.88Å; V738-F952 HydrophobicContact CG2-CG 4.48Å; V738-F952 HydrophobicContact CG2-CZ 4.41Å; W758-F952 HydrophobicContact CH2-CD2 4.21Å; W758-F952 AromaticContact CH2-CE2 3.54Å; W758-F952 HydrophobicContact CH2-CE2 3.54Å; W758-F952 HydrophobicContact CH2-CZ 4.35Å; W758-F952 HydrophobicContact CZ3-CE2 4.05Å; L762-F952 HydrophobicContact CD1-CE2 4.42Å; F768-F952 HydrophobicContact CE2-CB 4.3Å; F768-F952 HydrophobicContact CE2-CD2 4.42Å; C821-F952 HydrophobicContact CB-CD1 3.94Å; C821-F952 HydrophobicContact CB-CE1 3.97Å; F823-F952 HydrophobicContact CB-CZ 4.17Å; F823-F952 HydrophobicContact CD1-CE2 4.48Å; F823-F952 AromaticContact CD1-CZ 3.98Å; F823-F952 HydrophobicContact CD1-CZ 3.98Å; F823-F952 HydrophobicContact CG-CZ 4.41Å; V848-F952 HydrophobicContact CG2-CD1 4.48Å; V848-F952 HydrophobicContact CG2-CE1 3.75Å; V848-F952 HydrophobicContact CG2-CZ 4.35Å; M948-F952 HydrophobicContact CE-CZ 4.43Å; M948-F952 WeakPolarHBondContact O-CG 3.46Å; M948-F952 PolarHBondContact O-N 2.61Å; E949-F952 PolarHBondContact O-N 3.14Å; F952-E954 PolarHBondContact O-N 2.68Å; F952-C955 PolarHBondContact O-N 2.67Å; F952-C955 VanDerWaalsContact O-N 3.09Å; F952-F956 HydrophobicContact CB-CD2 4.31Å; F952-F956 HydrophobicContact CB-CE2 3.92Å; F952-F956 HydrophobicContact CB-CZ 4.37Å; F952-F956 WeakPolarHBondContact O-CB 3.39Å; F952-F956 WeakPolarHBondContact O-CD2 3.28Å; F952-F956 WeakPolarHBondContact O-CG 3.06Å; F952-F956 PolarHBondContact O-N 3.19Å
953	D	92.9	Very high	81.7	Confident	43 Å²	43	67.5 Å²	67.5	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-54.8	-49	175.9	-74.2	-6.1	0	0	0	111.5	R766 E949 C955 F956 G957	R766-D953 IonicContact CZ-OD1 2.68Å; R766-D953 IonicContact CZ-OD2 3.11Å; R766-D953 IonicContact NE-OD1 3.16Å; R766-D953 IonicContact NH1-OD2 3.14Å; R766-D953 IonicContact NH2-OD1 2.76Å; R766-D953 PolarHBondContact NH2-OD1 3.17Å; R766-D953 IonicContact NH2-OD2 2.74Å; R766-D953 PolarHBondContact NH2-OD2 2.98Å; E949-D953 PolarHBondContact O-N 3.15Å; D953-C955 VanDerWaalsContact C-N 3.29Å; D953-C955 PolarHBondContact O-N 3.24Å; D953-F956 PolarHBondContact O-N 2.94Å; D953-G957 PolarHBondContact O-N 2.84Å
954	E	93.4	Very high	79.1	Confident	96 Å²	96	70.4 Å²	70.4	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-27.4	178.1	-74.2	-169.5	164.6	0	0	114	R926 W950 F952	R926-E954 IonicContact CZ-OE2 2.98Å; R926-E954 IonicContact NH1-OE2 2.7Å; R926-E954 PolarHBondContact NH1-OE2 3.47Å; R926-E954 IonicContact NH2-OE2 3.27Å; R926-E954 PolarHBondContact NH2-OE2 3.36Å; W950-E954 VanDerWaalsContact CE2-CD 3.47Å; W950-E954 VanDerWaalsContact CE2-OE1 3.3Å; W950-E954 WeakPolarHBondContact CZ2-OE1 3.21Å; W950-E954 WeakPolarHBondContact CZ2-OE2 3.46Å; W950-E954 PolarHBondContact NE1-OE1 3.21Å; W950-E954 PolarHBondContact O-N 2.81Å; W950-E954 VanDerWaalsContact O-N 3.08Å; F952-E954 PolarHBondContact O-N 2.68Å
955	C	93.9	Very high	76.1	Confident	10 Å²	10	75.4 Å²	75.4	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-82.2	-31.6	177.3	-67.8	0	0	0	0	112.9	Q845 C846 Y951 F952 D953 G957	Q845-C955 HydrophobicContact CG-CB 4.46Å; Q845-C955 WeakPolarHBondContact CG-O 3.23Å; Q845-C955 PolarHBondContact NE2-O 2.81Å; C846-C955 HydrophobicContact CB-CB 3.68Å; C846-C955 WeakPolarHBondContact CB-SG 3.29Å; C846-C955 VanDerWaalsContact SG-CB 3.54Å; Y951-C955 WeakPolarHBondContact O-CB 3.2Å; Y951-C955 PolarHBondContact O-N 2.76Å; Y951-C955 VanDerWaalsContact O-N 3.09Å; Y951-C955 PolarHBondContact O-SG 3.45Å; F952-C955 PolarHBondContact O-N 2.67Å; F952-C955 VanDerWaalsContact O-N 3.09Å; D953-C955 VanDerWaalsContact C-N 3.29Å; D953-C955 PolarHBondContact O-N 3.24Å; C955-G957 VanDerWaalsContact C-N 3.34Å
956	F	93.1	Very high	73.6	Confident	28 Å²	28	79.3 Å²	79.3	12%	0.123	41%	0.41	C	S	.	.	H	α-helix	trans	-76.5	-20.7	173.4	-63.6	-25.9	0	0	0	113	P736 V738 F768 R819 C821 F952 D953	P736-F956 HydrophobicContact CB-CD2 3.94Å; P736-F956 HydrophobicContact CB-CE1 4.48Å; P736-F956 HydrophobicContact CB-CE2 3.71Å; P736-F956 HydrophobicContact CB-CG 4.42Å; P736-F956 HydrophobicContact CB-CZ 4Å; P736-F956 HydrophobicContact CG-CD2 4.5Å; P736-F956 HydrophobicContact CG-CE2 4.32Å; V738-F956 HydrophobicContact CG2-CE2 4.41Å; V738-F956 HydrophobicContact CG2-CZ 4.1Å; F768-F956 HydrophobicContact CD2-CE2 4.32Å; F768-F956 HydrophobicContact CE1-CE2 4.44Å; F768-F956 AromaticContact CE2-CE2 3.89Å; F768-F956 HydrophobicContact CE2-CE2 3.89Å; F768-F956 HydrophobicContact CZ-CD2 4.15Å; F768-F956 AromaticContact CZ-CE2 3.94Å; F768-F956 HydrophobicContact CZ-CE2 3.94Å; R819-F956 VanDerWaalsContact C-CE1 3.41Å; R819-F956 HydrophobicContact CB-CB 4.3Å; R819-F956 HydrophobicContact CB-CD1 3.63Å; R819-F956 HydrophobicContact CB-CE1 4.08Å; R819-F956 HydrophobicContact CB-CG 3.99Å; R819-F956 HydrophobicContact CG-CB 3.94Å; R819-F956 HydrophobicContact CG-CD1 4.13Å; R819-F956 HydrophobicContact CG-CG 4.19Å; R819-F956 WeakPolarHBondContact O-CE1 3.12Å; C821-F956 HydrophobicContact CB-CE1 3.97Å; C821-F956 HydrophobicContact CB-CZ 4.17Å; C821-F956 VanDerWaalsContact SG-CE1 3.55Å; F952-F956 HydrophobicContact CB-CD2 4.31Å; F952-F956 HydrophobicContact CB-CE2 3.92Å; F952-F956 HydrophobicContact CB-CZ 4.37Å; F952-F956 WeakPolarHBondContact O-CB 3.39Å; F952-F956 WeakPolarHBondContact O-CD2 3.28Å; F952-F956 WeakPolarHBondContact O-CG 3.06Å; F952-F956 PolarHBondContact O-N 3.19Å; D953-F956 PolarHBondContact O-N 2.94Å
957	G	80.3	Confident	70.9	Confident	27 Å²	27	78.3 Å²	78.3	28%	0.278	42%	0.415	S	S	.	.			trans	93.7	-175.6	176.6	0	0	0	0	0	113.3	D953 C955 V959	D953-G957 PolarHBondContact O-N 2.84Å; C955-G957 VanDerWaalsContact C-N 3.34Å; G957-V959 PolarHBondContact O-N 3.46Å
958	P	64	Low	68.2	Low	135 Å²	135	81.3 Å²	81.3	88%	0.877	45%	0.448	S	S	*	.			trans	-61.9	124.8	179.2	26.9	-33.8	0	0	0	110.4	D960	P958-D960 PolarHBondContact O-N 2.88Å
959	V	54.8	Low	65.2	Low	79 Å²	79	88.2 Å²	88.2	48%	0.479	48%	0.484	S	S	.	.			trans	-67.6	127.8	165.8	-174.9	0	0	0	0	107.4	G957 D961	G957-V959 PolarHBondContact O-N 3.46Å; V959-D961 VanDerWaalsContact CG1-OD1 3.31Å; V959-D961 WeakPolarHBondContact CG1-OD1 3.4Å; V959-D961 PolarHBondContact O-N 3.02Å
960	D	48.8	Very low	62.3	Low	116 Å²	116	96.3 Å²	96.3	62%	0.62	52%	0.519	S	S	*	.			trans	-81	73.1	174.2	-139.7	-37	0	0	0	108.9	P958 N962 E963	P958-D960 PolarHBondContact O-N 2.88Å; D960-N962 PolarHBondContact O-N 3.28Å; D960-N962 PolarHBondContact OD1-ND2 2.65Å; D960-E963 PolarHBondContact O-N 3.06Å
961	D	46.7	Very low	59.1	Low	121 Å²	121	96.3 Å²	96.3	65%	0.647	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-54.4	-11.2	-175.3	-73.1	-32.4	0	0	0	113.7	V959 E963 W964	V959-D961 VanDerWaalsContact CG1-OD1 3.31Å; V959-D961 WeakPolarHBondContact CG1-OD1 3.4Å; V959-D961 PolarHBondContact O-N 3.02Å; D961-E963 PolarHBondContact O-N 2.93Å; D961-W964 PolarHBondContact O-N 3.25Å
962	N	42.2	Very low	55.9	Low	144 Å²	144	105 Å²	105	77%	0.77	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-62.8	-20.1	174.9	-62.5	-69.3	0	0	0	114.3	D960	D960-N962 PolarHBondContact O-N 3.28Å; D960-N962 PolarHBondContact OD1-ND2 2.65Å
963	E	44.2	Very low	52.7	Low	180 Å²	180	114.7 Å²	114.7	84%	0.841	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-92.6	-9.5	176.1	-69.6	-161.8	136.7	0	0	114.4	D960 D961	D960-E963 PolarHBondContact O-N 3.06Å; D961-E963 PolarHBondContact O-N 2.93Å
964	W	43.9	Very low	49.6	Very low	163 Å²	163	125.3 Å²	125.3	62%	0.617	66%	0.661	S	S	*	*			trans	-118.8	52.3	-177.8	-83.1	-7.9	0	0	0	113.8	F735 D961 P966	F735-W964 HydrophobicContact CE1-CH2 4.46Å; F735-W964 HydrophobicContact CE1-CZ2 4.3Å; D961-W964 PolarHBondContact O-N 3.25Å; W964-P966 VanDerWaalsContact O-CD 3.31Å; W964-P966 WeakPolarHBondContact O-CD 3.28Å
965	D	32.1	Very low	47.4	Very low	106 Å²	106	126.8 Å²	126.8	57%	0.567	67%	0.671	S	S	*	*			trans	-77.3	114.5	155.7	-167.9	-28	0	0	0	109.4	T967	D965-T967 PolarHBondContact O-N 3.48Å; D965-T967 WeakPolarHBondContact OD1-CA 3.31Å; D965-T967 WeakPolarHBondContact OD1-CB 3.19Å; D965-T967 PolarHBondContact OD1-N 3.17Å; D965-T967 PolarHBondContact OD1-OG1 2.92Å; D965-T967 PolarHBondContact OD2-OG1 2.95Å
966	P	43.2	Very low	45	Very low	129 Å²	129	132.9 Å²	132.9	84%	0.838	70%	0.703	S	S	*	*	S	Bend	trans	-73	-3.3	177.9	32.3	-36.6	0	0	0	113.3	W964	W964-P966 VanDerWaalsContact O-CD 3.31Å; W964-P966 WeakPolarHBondContact O-CD 3.28Å
967	T	39.3	Very low	42.3	Very low	100 Å²	100	138.7 Å²	138.7	61%	0.613	74%	0.735	S	S	*	*	S	Bend	trans	-95.7	90.6	173.9	67.6	0	0	0	0	110.2	D965 L969	D965-T967 PolarHBondContact O-N 3.48Å; D965-T967 WeakPolarHBondContact OD1-CA 3.31Å; D965-T967 WeakPolarHBondContact OD1-CB 3.19Å; D965-T967 PolarHBondContact OD1-N 3.17Å; D965-T967 PolarHBondContact OD1-OG1 2.92Å; D965-T967 PolarHBondContact OD2-OG1 2.95Å; T967-L969 PolarHBondContact O-N 3.07Å
968	G	40.7	Very low	40.1	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	76%	0.762	S	S	*	*			trans	-60.5	93.8	-170.1	0	0	0	0	0	115.1
969	L	32.7	Very low	38.6	Very low	146 Å²	146	145.9 Å²	145.9	76%	0.764	76%	0.755	S	S	*	*			trans	-140.5	90.7	170.6	-154.1	84.5	0	0	0	110.8	T967 V971	T967-L969 PolarHBondContact O-N 3.07Å; L969-V971 PolarHBondContact O-N 3.41Å
970	F	33	Very low	37.5	Very low	198 Å²	198	150.4 Å²	150.4	87%	0.868	77%	0.773	S	S	*	*			trans	-59.9	105.8	178.5	-69.2	-84.4	0	0	0	112.1
971	V	28.5	Very low	36.7	Very low	119 Å²	119	152.9 Å²	152.9	72%	0.721	78%	0.784	S	S	*	*			trans	-99	93.7	168.3	-178.1	0	0	0	0	108.9	L969 K973	L969-V971 PolarHBondContact O-N 3.41Å; V971-K973 PolarHBondContact O-N 2.83Å
972	F	29.8	Very low	35.9	Very low	190 Å²	190	155.3 Å²	155.3	83%	0.833	80%	0.795	S	S	*	*			trans	-56.2	124.4	167.2	-76.7	-88.5	0	0	0	110
973	K	28.2	Very low	35.4	Very low	204 Å²	204	156.3 Å²	156.3	89%	0.887	80%	0.797	S	S	*	*			trans	-93.4	151.2	159.6	-91.2	179.4	176.7	169.3	0	110.2	V971	V971-K973 PolarHBondContact O-N 2.83Å
974	Q	28.9	Very low	34.6	Very low	265 Å²	265	154.1 Å²	154.1	100%	1.238	79%	0.793	S	S	*	*			trans	-116.7	0	-169.5	-171	177.8	28.1	0	0	110.3

Retrieved 974 of 974 residues in 754.4 ms (Link to these results)

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