A0A087Y4V1_POEFO Loading...

Sortilin

AlphaFold DB , UniProt , Accession A0A087Y4V1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 824 aa.

						>A0A087Y4V1_POEFO|A0A087Y4V1
MGLLLHCLLLLAVCALPAGGLDFQPGSKALGQPVFVRRSVEKRAAQIAKRSLPSWLGAPHHHRIRRRSVDQGDSCKKHEGYQSKLKDNTHSYTLNDLSGSVSLAWVGDGTGVILALTTFQVPFFLLRFGQSKLYRSEDYGKTFEDVTNLINDTFISAEFGIAIGPENSGKVILTAEISGGDGYRIFVSRDFGKTFTHLNLPFSPMMQISYNPENSEVLAVLSMSNELWLSEDFGRNWKKIPDTVCLFKWGRKNTIFFTSSQNGSCIERGMLQLKRTTDLGKTIKTVASKIFSFGLGGRFLFASVMTGKGTMRVIHVSVDQGENWNMAQLPPVGHEQFYSILAANDDMVFMHVDEPGDTGFGTIYVSDDRGTVYSKSLERHLYTTTGGDTDFTNVTSLRGVFITSVLAEADKSVQSVVSFDQGGEWVPLRKPANTKCDATAKDPDKCSLHIHAAYSIAMKLEVPMPPLTEPNAVGLIMAHAGSVGDAISVIKSDVYVSDDGGYTWIKALNGPHHYAMLDSGGLLVAVEDNGKPINKIKFSTDEGQCWSIYEFTNEPITFTGLASEPGARSMNVSIWGYKDSLITQNWVSFTIDFRELLTRDCNDDDYVQWLAHSDDISDPTDGCMLGYKETFLRLRKDSVCWNGRDYTVNTQPTPCACTLDDFLCDFGYSRKENSSECVEQPDLQGKVLEFCLHGKEEQLQTNGYRKIPGDKCEGGQMPQRKEIDLSKRCVSDLVSPEFQTGGHSSKSVAIVLAVVVVMLMSIAAGVVFVRKYVCGGRFLVHRYSVLQQHVEDNAADGMDEPLDTNHAPNGKIEFHDDSDEDLLE
					

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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	40.9	Very low	31.4	Very low	253 Å²	253	151.5 Å²	151.5	100%	1.246	83%	0.828	S	S	*	*				0	128.2	0	-82.1	161.2	54.7	0	0	108.4
2	G	29.3	Very low	31.1	Very low	74 Å²	74	145.4 Å²	145.4	76%	0.763	81%	0.814	S	S	*	*			trans	162	128	179.9	0	0	0	0	0	110.3
3	L	35.5	Very low	30.8	Very low	162 Å²	162	143.9 Å²	143.9	85%	0.848	81%	0.81	S	S	*	*			trans	-82.8	169.5	169.7	-68.9	78.7	0	0	0	107.6
4	L	31.1	Very low	30.4	Very low	164 Å²	164	142.6 Å²	142.6	86%	0.859	81%	0.813	S	S	*	*			cis	-166.3	178.9	42.1	-136.5	134.2	0	0	0	110.8
5	L	34.5	Very low	30	Very low	138 Å²	138	139.5 Å²	139.5	72%	0.723	81%	0.812	S	S	*	*			trans	-98.5	153.3	-179	-153.5	81.5	0	0	0	112.5
6	H	35.3	Very low	29.7	Very low	168 Å²	168	141.1 Å²	141.1	78%	0.778	82%	0.815	S	S	*	*			trans	69.2	132.6	161.1	-87.4	36.5	0	0	0	120.2
7	C	25.7	Very low	30.2	Very low	128 Å²	128	139.7 Å²	139.7	87%	0.865	81%	0.812	S	S	*	*			trans	-151.9	154.7	135.4	-148.3	0	0	0	0	110.1
8	L	28.6	Very low	30	Very low	140 Å²	140	137.4 Å²	137.4	73%	0.733	81%	0.812	S	S	*	*			trans	-91.4	-167.3	171	-60.6	91.1	0	0	0	108.6
9	L	29.9	Very low	29.8	Very low	126 Å²	126	134.6 Å²	134.6	66%	0.66	82%	0.815	S	S	*	*			cis	-175	154.2	21.6	-146.7	161.4	0	0	0	107.6	L11	L9-L11 HydrophobicContact CD2-CD1 3.93Å
10	L	26.7	Very low	29.6	Very low	167 Å²	167	132.1 Å²	132.1	87%	0.874	82%	0.818	S	S	*	*			trans	-178	155.8	131.5	-98.6	159.7	0	0	0	115.6
11	L	28.2	Very low	29.4	Very low	146 Å²	146	133.3 Å²	133.3	76%	0.764	82%	0.818	S	S	*	*			trans	-100.4	177.4	179.6	-66.1	116.2	0	0	0	110	L9	L9-L11 HydrophobicContact CD2-CD1 3.93Å
12	A	27.4	Very low	28.7	Very low	79 Å²	79	127.7 Å²	127.7	65%	0.653	79%	0.793	S	S	*	*			cis	-166.3	179.8	-24.3	0	0	0	0	0	106.1
13	V	26.8	Very low	28.4	Very low	126 Å²	126	134.3 Å²	134.3	76%	0.764	80%	0.801	S	S	*	*				165.4	132.7	84.3	160.6	0	0	0	0	109.1
14	C	25.3	Very low	28	Very low	126 Å²	126	134.9 Å²	134.9	85%	0.851	80%	0.8	S	S	*	*			trans	53	159.6	159	-64.3	0	0	0	0	120.7
15	A	25.4	Very low	28.1	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	80%	0.795	S	S	*	*			cis	-142.6	163.8	13.6	0	0	0	0	0	114.9
16	L	25.2	Very low	27.6	Very low	164 Å²	164	130 Å²	130	86%	0.859	80%	0.8	S	S	*	*			trans	-100.2	166.5	164.1	-91.6	166.1	0	0	0	109
17	P	37.3	Very low	27.1	Very low	118 Å²	118	126.6 Å²	126.6	77%	0.766	80%	0.795	S	S	*	*			cis	-140.3	-163.8	38.4	47.5	-28.5	0	0	0	113.2
18	A	27.9	Very low	27.2	Very low	98 Å²	98	130 Å²	130	81%	0.81	80%	0.795	S	S	*	*			cis	-153.7	165.2	2.1	0	0	0	0	0	110.5
19	G	25.5	Very low	27	Very low	85 Å²	85	127 Å²	127	88%	0.876	79%	0.791	S	S	*	*			trans	132.5	123.5	159.9	0	0	0	0	0	114.5
20	G	25.7	Very low	26.8	Very low	84 Å²	84	129.6 Å²	129.6	87%	0.866	81%	0.805	S	S	*	*			trans	-118.9	-176.9	-175.6	0	0	0	0	0	114.8
21	L	25.7	Very low	26.7	Very low	157 Å²	157	125.1 Å²	125.1	82%	0.822	80%	0.799	S	S	*	*			trans	-87.8	163.7	-170	-86	153.8	0	0	0	115.7
22	D	26.3	Very low	26.7	Very low	136 Å²	136	127.2 Å²	127.2	73%	0.727	81%	0.805	S	S	*	*			trans	61.9	135.6	150.9	-62.1	-31.1	0	0	0	122.1
23	F	22.2	Very low	26.7	Very low	213 Å²	213	129.1 Å²	129.1	93%	0.934	81%	0.811	S	S	*	*				-164	142.2	120.1	-120.2	-86.4	0	0	0	112.5
24	Q	28	Very low	26.7	Very low	174 Å²	174	129 Å²	129	81%	0.813	81%	0.81	S	S	*	*			trans	-85.6	-175.3	167.2	-75	-169.5	-15.3	0	0	110.3
25	P	32.7	Very low	26.5	Very low	119 Å²	119	132 Å²	132	77%	0.773	81%	0.809	S	S	*	*			cis	-147.6	166.9	12.3	43.1	-22.6	0	0	0	120.3
26	G	23.4	Very low	26.3	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	81%	0.807	S	S	*	*			trans	72.8	165.4	151.8	0	0	0	0	0	118.3
27	S	25.6	Very low	26.3	Very low	98 Å²	98	137 Å²	137	69%	0.685	81%	0.809	S	S	*	*			cis	-162	145.7	-17.9	71	0	0	0	0	107.6
28	K	27.4	Very low	25.5	Very low	198 Å²	198	142.9 Å²	142.9	86%	0.861	82%	0.816	S	S	*	*				166.4	175.3	83.8	-113.6	160.4	-168	170.8	0	107.5
29	A	24.5	Very low	25.2	Very low	79 Å²	79	143 Å²	143	65%	0.653	81%	0.811	S	S	*	*			cis	-155.6	162.7	1.2	0	0	0	0	0	109.9
30	L	25.8	Very low	25.1	Very low	179 Å²	179	145.1 Å²	145.1	94%	0.937	81%	0.807	S	S	*	*			trans	36.9	136.2	159.4	-82.3	69.8	0	0	0	120.5
31	G	24.8	Very low	25.1	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	80%	0.797	S	S	*	*			cis	156.3	128.7	-3.6	0	0	0	0	0	112.8
32	Q	28.8	Very low	25.1	Very low	189 Å²	189	148 Å²	148	88%	0.883	79%	0.791	S	S	*	*			trans	-78.7	163.3	167.8	-68.3	175.6	-48.9	0	0	111
33	P	27.6	Very low	25.1	Very low	119 Å²	119	153.3 Å²	153.3	77%	0.773	80%	0.801	S	S	*	*				-145.2	164.7	107.2	37.8	-23.5	0	0	0	116.3
34	V	25.9	Very low	25.2	Very low	125 Å²	125	148.2 Å²	148.2	76%	0.758	80%	0.798	S	S	*	*			trans	-81.1	144.9	173.7	172.9	0	0	0	0	111.5
35	F	21.4	Very low	25.1	Very low	189 Å²	189	144.3 Å²	144.3	83%	0.829	80%	0.796	S	S	*	*			trans	-145.7	112.8	158.4	-109.1	-86.3	0	0	0	115.4
36	V	21.1	Very low	24.8	Very low	123 Å²	123	148.3 Å²	148.3	75%	0.745	80%	0.804	S	S	*	*				43.2	143.6	129.7	-171.7	0	0	0	0	122.3
37	R	24.1	Very low	25	Very low	241 Å²	241	152.4 Å²	152.4	91%	0.909	81%	0.806	S	S	*	*			trans	-96.9	115	179	176.1	-167.8	-170.8	-174.6	5.9	113.9
38	R	20.4	Very low	25	Very low	241 Å²	241	151.9 Å²	151.9	91%	0.909	81%	0.807	S	S	*	*			trans	-162.2	164.2	146.3	-126	175.4	178	168.1	0	113.7
39	S	22.7	Very low	24.9	Very low	100 Å²	100	152.5 Å²	152.5	70%	0.699	81%	0.81	S	S	*	*			trans	-53.1	155	178.3	48.7	0	0	0	0	114.1
40	V	23.8	Very low	25	Very low	130 Å²	130	160.4 Å²	160.4	79%	0.788	82%	0.823	S	S	*	*				-148.9	162.1	64.8	167.1	0	0	0	0	113.3
41	E	24.4	Very low	25	Very low	141 Å²	141	157.3 Å²	157.3	66%	0.659	82%	0.816	S	S	*	*			trans	-51	168.1	173	-42.3	173.6	97.8	0	0	114.5
42	K	25.8	Very low	25.3	Very low	161 Å²	161	158.7 Å²	158.7	70%	0.7	81%	0.806	S	S	*	*			cis	-169.8	157	32.2	-138.2	142.9	-168.4	155	0	111.6
43	R	27.1	Very low	25.5	Very low	248 Å²	248	152.3 Å²	152.3	94%	0.936	78%	0.781	S	S	*	*			trans	63.3	86.7	161.4	-77.1	-175.3	165	178.6	-4.7	121
44	A	23.8	Very low	25.8	Very low	105 Å²	105	150 Å²	150	87%	0.868	77%	0.767	S	S	*	*			trans	-177.6	143.8	130.6	0	0	0	0	0	108.1
45	A	26.1	Very low	26.5	Very low	93 Å²	93	149.2 Å²	149.2	77%	0.769	75%	0.75	S	S	*	*			cis	-141.5	173.4	-14.2	0	0	0	0	0	108.5	I47	A45-I47 PolarHBondContact O-N 3.04Å
46	Q	26.2	Very low	27	Very low	203 Å²	203	143.2 Å²	143.2	95%	0.949	73%	0.727	S	S	*	*			trans	-72.4	121.9	177.4	-72.5	166.4	-88.1	0	0	111.2
47	I	28.4	Very low	27.3	Very low	165 Å²	165	139.3 Å²	139.3	85%	0.846	71%	0.711	S	S	*	*			trans	-107.4	121.4	161.6	-65.1	175.9	0	0	0	106.9	A45	A45-I47 PolarHBondContact O-N 3.04Å
48	A	25.8	Very low	27.3	Very low	87 Å²	87	132 Å²	132	72%	0.719	70%	0.702	S	S	*	*			trans	-72.6	134.3	178.9	0	0	0	0	0	110.5	R50	A48-R50 PolarHBondContact O-N 2.98Å
49	K	24.3	Very low	27.7	Very low	210 Å²	210	125.4 Å²	125.4	91%	0.913	69%	0.691	S	S	*	*			trans	-66.4	114.7	160.1	-67.6	-177.3	176.4	-173.9	0	107.3
50	R	25.8	Very low	28.1	Very low	245 Å²	245	128.5 Å²	128.5	93%	0.925	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-72.3	134.4	161.3	-84.6	-176.2	165.8	177.1	-6.3	108.3	A48	A48-R50 PolarHBondContact O-N 2.98Å
51	S	27.4	Very low	28.4	Very low	114 Å²	114	130 Å²	130	80%	0.797	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-78.2	169.5	175.7	50.1	0	0	0	0	111.5
52	L	29.4	Very low	28.8	Very low	104 Å²	104	130.6 Å²	130.6	55%	0.545	69%	0.694	S	S	.	*	P	Polyproline II helix	trans	-60	164	160.4	-72.6	157.6	0	0	0	110.9	L56	L52-L56 HydrophobicContact CD2-CD1 4.47Å
53	P	34.1	Very low	28.9	Very low	55 Å²	55	133.1 Å²	133.1	36%	0.357	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-53.8	147.8	166.2	-24.1	34.7	0	0	0	112.4	W55 L56	P53-W55 VanDerWaalsContact C-N 3.35Å; P53-W55 HydrophobicContact CB-CG 4.39Å; P53-W55 VanDerWaalsContact CB-NE1 3.34Å; P53-W55 PolarHBondContact O-N 3.33Å; P53-L56 PolarHBondContact O-N 2.84Å
54	S	34	Very low	29.4	Very low	69 Å²	69	123.3 Å²	123.3	48%	0.483	67%	0.665	S	S	.	*	G	3₁₀ helix	trans	-71.1	-24.2	-173.1	27.1	0	0	0	0	114.4	L56 G57 E672	S54-L56 PolarHBondContact O-N 2.93Å; S54-G57 WeakPolarHBondContact O-CA 3.37Å; S54-G57 PolarHBondContact O-N 3.08Å; S54-E672 WeakPolarHBondContact CA-OE1 3.06Å; S54-E672 WeakPolarHBondContact CB-OE1 3.18Å; S54-E672 VanDerWaalsContact OG-CD 3.26Å; S54-E672 PolarHBondContact OG-OE1 3.39Å; S54-E672 PolarHBondContact OG-OE2 3.05Å
55	W	39.8	Very low	29.7	Very low	109 Å²	109	128.3 Å²	128.3	41%	0.413	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-73.7	-8.9	176.7	58.7	-96.1	0	0	0	114.1	P53 G57 A407 Q414 E672	P53-W55 VanDerWaalsContact C-N 3.35Å; P53-W55 HydrophobicContact CB-CG 4.39Å; P53-W55 VanDerWaalsContact CB-NE1 3.34Å; P53-W55 PolarHBondContact O-N 3.33Å; W55-G57 VanDerWaalsContact C-N 3.28Å; W55-A407 HydrophobicContact CH2-CB 4.4Å; W55-Q414 VanDerWaalsContact CZ3-OE1 3.28Å; W55-E672 PolarHBondContact N-OE1 2.63Å
56	L	33.5	Very low	30.1	Very low	63 Å²	63	130.3 Å²	130.3	33%	0.33	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-91.3	11.7	163.9	-64.8	171.8	0	0	0	112.2	L52 P53 S54	L52-L56 HydrophobicContact CD2-CD1 4.47Å; P53-L56 PolarHBondContact O-N 2.84Å; S54-L56 PolarHBondContact O-N 2.93Å
57	G	26.8	Very low	30.7	Very low	41 Å²	41	129.2 Å²	129.2	42%	0.423	64%	0.637	S	S	.	*	S	Bend	trans	-66.2	146	166.3	0	0	0	0	0	111.1	S54 W55	S54-G57 WeakPolarHBondContact O-CA 3.37Å; S54-G57 PolarHBondContact O-N 3.08Å; W55-G57 VanDerWaalsContact C-N 3.28Å
58	A	24.4	Very low	31.1	Very low	87 Å²	87	125.1 Å²	125.1	72%	0.719	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-67.4	131.3	174.5	0	0	0	0	0	109.5
59	P	28.5	Very low	31.7	Very low	104 Å²	104	123 Å²	123	68%	0.675	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-65	162.8	-176.3	26.5	-35.3	0	0	0	112.1
60	H	31.1	Very low	32.3	Very low	164 Å²	164	119.7 Å²	119.7	76%	0.759	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-53.8	142.7	168.8	-88.1	-104.8	0	0	0	110.6	H62	H60-H62 VanDerWaalsContact C-N 3.33Å; H60-H62 PolarHBondContact O-N 2.63Å
61	H	30.5	Very low	33.1	Very low	161 Å²	161	114.1 Å²	114.1	75%	0.745	58%	0.577	S	S	*	*			trans	-72.4	76.2	-166.9	-80.5	-33.8	0	0	0	114.3	R63	H61-R63 VanDerWaalsContact C-N 3.33Å; H61-R63 PolarHBondContact O-N 2.76Å
62	H	31.1	Very low	33.5	Very low	154 Å²	154	111 Å²	111	71%	0.713	56%	0.563	S	S	*	*			trans	-62.2	100.4	146.6	-76.3	-98.1	0	0	0	107.1	H60 I64	H60-H62 VanDerWaalsContact C-N 3.33Å; H60-H62 PolarHBondContact O-N 2.63Å; H62-I64 HydrophobicContact CB-CG1 4.33Å; H62-I64 PolarHBondContact O-N 2.81Å; H62-I64 VanDerWaalsContact O-N 3.08Å
63	R	28.5	Very low	34.1	Very low	214 Å²	214	114.6 Å²	114.6	81%	0.808	58%	0.583	S	S	*	*			trans	-91.7	41.9	-164.8	-148.9	179	-167.1	-176.8	5.3	112.6	H61 R65	H61-R63 VanDerWaalsContact C-N 3.33Å; H61-R63 PolarHBondContact O-N 2.76Å; R63-R65 PolarHBondContact O-N 3.25Å
64	I	37.4	Very low	35.1	Very low	42 Å²	42	116 Å²	116	22%	0.215	59%	0.594	C	S	.	*			trans	-36.6	111.8	-172.6	-47.5	-169.3	0	0	0	112.2	H62 D614	H62-I64 HydrophobicContact CB-CG1 4.33Å; H62-I64 PolarHBondContact O-N 2.81Å; H62-I64 VanDerWaalsContact O-N 3.08Å; I64-D614 HydrophobicContact CB-CB 4.35Å; I64-D614 WeakPolarHBondContact CD1-OD1 3.44Å; I64-D614 WeakPolarHBondContact CD1-OD2 3.33Å; I64-D614 HydrophobicContact CG1-CB 4.13Å; I64-D614 VanDerWaalsContact CG1-CG 3.42Å; I64-D614 WeakPolarHBondContact CG1-OD1 3.35Å; I64-D614 VanDerWaalsContact CG1-OD2 3.32Å; I64-D614 WeakPolarHBondContact CG1-OD2 3.49Å; I64-D614 HydrophobicContact CG2-CB 4.22Å; I64-D614 WeakPolarHBondContact CG2-OD1 3.26Å
65	R	31.4	Very low	36.6	Very low	210 Å²	210	116.3 Å²	116.3	79%	0.792	60%	0.596	S	S	*	*			trans	-111.8	56.2	-168.2	-148.3	178.8	-172.9	-164.8	-0.3	113.4	R63 R67 D614	R63-R65 PolarHBondContact O-N 3.25Å; R65-R67 PolarHBondContact O-N 2.87Å; R65-D614 PolarHBondContact N-O 2.76Å
66	R	34.3	Very low	37.8	Very low	136 Å²	136	119.4 Å²	119.4	51%	0.513	61%	0.612	S	S	.	*			trans	27.9	88.7	157.7	-160.7	-170.4	-142	-159.5	3.9	114.7	V69	R66-V69 HydrophobicContact CG-CB 4.3Å; R66-V69 HydrophobicContact CG-CG2 4.03Å
67	R	39.2	Very low	39.2	Very low	180 Å²	180	125 Å²	125	68%	0.679	63%	0.634	S	S	*	*	S	Bend	trans	-73.6	141	158.2	-77.5	-168.9	169.5	-151.2	0.6	109.8	R65 V69	R65-R67 PolarHBondContact O-N 2.87Å; R67-V69 PolarHBondContact O-N 3.23Å
68	S	35.2	Very low	41.3	Very low	79 Å²	79	125 Å²	125	55%	0.552	62%	0.622	S	S	*	*			trans	36.4	67.6	171.4	59.1	0	0	0	0	116.3
69	V	38.8	Very low	43.7	Very low	41 Å²	41	129.7 Å²	129.7	25%	0.248	63%	0.629	C	S	.	*			trans	-107.7	74.6	137.7	-176.6	0	0	0	0	107.2	R66 R67 Q71	R66-V69 HydrophobicContact CG-CB 4.3Å; R66-V69 HydrophobicContact CG-CG2 4.03Å; R67-V69 PolarHBondContact O-N 3.23Å; V69-Q71 HydrophobicContact CG1-CB 4.16Å; V69-Q71 HydrophobicContact CG1-CG 3.68Å; V69-Q71 PolarHBondContact O-N 3.34Å
70	D	38.1	Very low	46.1	Very low	142 Å²	142	127 Å²	127	76%	0.759	62%	0.621	S	S	*	*			trans	-70.8	79.2	152.6	-72.1	-53.3	0	0	0	107.2	G72	D70-G72 PolarHBondContact O-N 3.42Å
71	Q	41.4	Very low	48.8	Very low	127 Å²	127	121 Å²	121	59%	0.593	59%	0.592	S	S	*	*			trans	-68.2	69.1	155.5	-91.5	-173.2	-62.2	0	0	107.9	V69 N433	V69-Q71 HydrophobicContact CG1-CB 4.16Å; V69-Q71 HydrophobicContact CG1-CG 3.68Å; V69-Q71 PolarHBondContact O-N 3.34Å; Q71-N433 PolarHBondContact NE2-ND2 3.19Å; Q71-N433 PolarHBondContact OE1-ND2 2.94Å
72	G	36.7	Very low	51.5	Low	49 Å²	49	117.2 Å²	117.2	51%	0.505	57%	0.574	S	S	.	*			trans	-71.7	135.2	164.1	0	0	0	0	0	108.6	D70 S74	D70-G72 PolarHBondContact O-N 3.42Å; G72-S74 PolarHBondContact O-N 2.95Å
73	D	41.6	Very low	54.2	Low	180 Å²	180	113.2 Å²	113.2	96%	0.963	56%	0.563	S	S	*	*	S	Bend	trans	-68.3	29.9	178.6	-69.8	-58.5	0	0	0	113.8
74	S	54.1	Low	57.2	Low	84 Å²	84	105.9 Å²	105.9	59%	0.587	54%	0.537	S	S	*	.			trans	-130.4	65	-177	70.7	0	0	0	0	112.4	G72 K76	G72-S74 PolarHBondContact O-N 2.95Å; S74-K76 PolarHBondContact O-N 3.48Å
75	C	66.8	Low	59.8	Low	76 Å²	76	103.9 Å²	103.9	51%	0.514	53%	0.527	S	S	.	.			trans	-56.8	95.2	150.8	-74.1	0	0	0	0	108.2	K77 C545	C75-K77 PolarHBondContact O-N 3.36Å; C75-C545 WeakPolarHBondContact CA-SG 3.23Å; C75-C545 HydrophobicContact CB-CB 3.7Å; C75-C545 WeakPolarHBondContact CB-SG 3.41Å; C75-C545 WeakPolarHBondContact SG-CB 3.47Å; C75-C545 CovalentContact SG-SG 2.04Å; C75-C545 PolarHBondContact SG-SG 2.85Å
76	K	64	Low	62.8	Low	174 Å²	174	100.8 Å²	100.8	76%	0.757	52%	0.519	S	S	*	.			trans	-65.4	105.5	175.3	-69.1	175.5	-174.2	164.5	0	107.2	S74 H78	S74-K76 PolarHBondContact O-N 3.48Å; K76-H78 PolarHBondContact O-N 3.24Å
77	K	63.6	Low	65.5	Low	180 Å²	180	100.2 Å²	100.2	78%	0.783	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-56.1	129.4	172.7	-66.7	-177.8	177.9	-179	0	108.3	C75 E79	C75-K77 PolarHBondContact O-N 3.36Å; K77-E79 PolarHBondContact O-N 3.5Å
78	H	70.3	Confident	68.2	Low	41 Å²	41	92.8 Å²	92.8	19%	0.19	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-57.6	136	167.5	-49.1	-69.4	0	0	0	108.3	K76 Y81 F538 T540 S547	K76-H78 PolarHBondContact O-N 3.24Å; H78-Y81 HydrophobicContact CB-CD1 3.77Å; H78-Y81 HydrophobicContact CB-CE1 4.48Å; H78-Y81 HydrophobicContact CB-CG 4.31Å; H78-Y81 WeakPolarHBondContact O-CD1 3.35Å; H78-Y81 WeakPolarHBondContact O-CE1 3.17Å; H78-F538 AromaticContact CD2-CE2 3.38Å; H78-F538 WeakPolarHBondContact CD2-CE2 3.5Å; H78-F538 AromaticContact CD2-CZ 3.79Å; H78-F538 AromaticContact NE2-CE2 3.63Å; H78-T540 PolarHBondContact CE1-OG1 3.44Å; H78-S547 PolarHBondContact CD2-OG 2.9Å; H78-S547 VanDerWaalsContact CD2-OG 3.27Å
79	E	74.8	Confident	71.1	Confident	185 Å²	185	90.3 Å²	90.3	86%	0.864	48%	0.482	S	S	*	.	S	Bend	trans	-99.2	143.5	175.8	-62.5	-166.9	162.7	0	0	109.7	K77 Y81	K77-E79 PolarHBondContact O-N 3.5Å; E79-Y81 PolarHBondContact O-N 3.37Å
80	G	80.4	Confident	73.9	Confident	48 Å²	48	91.3 Å²	91.3	50%	0.495	48%	0.484	S	S	.	.	S	Bend	trans	69.7	-2.6	177.5	0	0	0	0	0	117.3	Q82 S83 K84	G80-Q82 PolarHBondContact O-N 2.93Å; G80-S83 PolarHBondContact O-N 3.48Å; G80-S83 PolarHBondContact O-OG 3.27Å; G80-S83 VanDerWaalsContact O-OG 3.08Å; G80-K84 PolarHBondContact O-N 3.21Å
81	Y	86.8	Confident	76.6	Confident	39 Å²	39	88.2 Å²	88.2	15%	0.153	47%	0.473	C	S	.	.	H	α-helix	trans	-58.5	-33.2	-178.4	71.7	-85	0	0	0	113.8	H78 E79 S83 K84 L85 F538 I548	H78-Y81 HydrophobicContact CB-CD1 3.77Å; H78-Y81 HydrophobicContact CB-CE1 4.48Å; H78-Y81 HydrophobicContact CB-CG 4.31Å; H78-Y81 WeakPolarHBondContact O-CD1 3.35Å; H78-Y81 WeakPolarHBondContact O-CE1 3.17Å; E79-Y81 PolarHBondContact O-N 3.37Å; Y81-S83 VanDerWaalsContact C-N 3.35Å; Y81-S83 PolarHBondContact O-N 3.32Å; Y81-K84 PolarHBondContact O-N 3.32Å; Y81-L85 HydrophobicContact CD2-CD1 4.11Å; Y81-L85 WeakPolarHBondContact O-CB 3.39Å; Y81-L85 WeakPolarHBondContact O-CG 3.4Å; Y81-L85 PolarHBondContact O-N 2.81Å; Y81-F538 AromaticContact CD2-CE1 3.64Å; Y81-F538 HydrophobicContact CD2-CE1 3.64Å; Y81-F538 AromaticContact CD2-CZ 3.57Å; Y81-F538 HydrophobicContact CD2-CZ 3.57Å; Y81-F538 AromaticContact CE2-CE1 3.79Å; Y81-F538 HydrophobicContact CE2-CE1 3.79Å; Y81-F538 HydrophobicContact CE2-CZ 4Å; Y81-F538 HydrophobicContact CG-CE1 4.45Å; Y81-F538 AromaticContact CG-CZ 3.93Å; Y81-F538 HydrophobicContact CG-CZ 3.93Å; Y81-I548 PolarHBondContact OH-O 3.4Å
82	Q	87.8	Confident	79.1	Confident	81 Å²	81	84.8 Å²	84.8	38%	0.379	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-37.8	-177.6	-70	-75.6	-10.2	0	0	113.2	G80 K86 I548	G80-Q82 PolarHBondContact O-N 2.93Å; Q82-K86 WeakPolarHBondContact O-CB 3.32Å; Q82-K86 PolarHBondContact O-N 3.25Å; Q82-I548 PolarHBondContact NE2-O 2.91Å
83	S	88	Confident	81.7	Confident	69 Å²	69	84.9 Å²	84.9	48%	0.483	45%	0.446	S	S	.	.	H	α-helix	trans	-76.5	-45.5	175.3	50.7	0	0	0	0	111.3	G80 Y81 L85 K86 D87	G80-S83 PolarHBondContact O-N 3.48Å; G80-S83 PolarHBondContact O-OG 3.27Å; G80-S83 VanDerWaalsContact O-OG 3.08Å; Y81-S83 VanDerWaalsContact C-N 3.35Å; Y81-S83 PolarHBondContact O-N 3.32Å; S83-L85 PolarHBondContact O-N 2.82Å; S83-K86 WeakPolarHBondContact O-CB 3.49Å; S83-K86 PolarHBondContact O-N 2.73Å; S83-K86 VanDerWaalsContact O-N 3.16Å; S83-D87 VanDerWaalsContact O-CG 3.32Å; S83-D87 PolarHBondContact O-N 2.66Å
84	K	90.1	Very high	83.9	Confident	60 Å²	60	76.3 Å²	76.3	26%	0.261	40%	0.4	S	S	.	.	H	α-helix	trans	-55.4	-54	178.6	-69.4	174.8	156.5	-160.4	0	112.8	G80 Y81 K86 D87 N88 E595	G80-K84 PolarHBondContact O-N 3.21Å; Y81-K84 PolarHBondContact O-N 3.32Å; K84-K86 VanDerWaalsContact C-N 3.25Å; K84-K86 PolarHBondContact O-N 2.95Å; K84-D87 PolarHBondContact O-N 3.48Å; K84-N88 PolarHBondContact O-N 2.87Å; K84-N88 VanDerWaalsContact O-N 3.15Å; K84-N88 PolarHBondContact O-ND2 3.22Å; K84-E595 WeakPolarHBondContact CD-O 3.48Å; K84-E595 WeakPolarHBondContact CE-O 3.35Å; K84-E595 PolarHBondContact NZ-O 3.4Å
85	L	93.3	Very high	85	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-65.3	-32	-179.7	-64.6	-178.5	0	0	0	111.4	Y81 S83 N88 T89 F538 Y549 I591 F593	Y81-L85 HydrophobicContact CD2-CD1 4.11Å; Y81-L85 WeakPolarHBondContact O-CB 3.39Å; Y81-L85 WeakPolarHBondContact O-CG 3.4Å; Y81-L85 PolarHBondContact O-N 2.81Å; S83-L85 PolarHBondContact O-N 2.82Å; L85-N88 CarbonylContact O-C 3.53Å; L85-N88 VanDerWaalsContact O-C 3.23Å; L85-N88 PolarHBondContact O-N 3.09Å; L85-T89 WeakPolarHBondContact O-CB 3.26Å; L85-T89 PolarHBondContact O-N 3.5Å; L85-T89 PolarHBondContact O-OG1 2.9Å; L85-F538 HydrophobicContact CD1-CD1 4.37Å; L85-F538 HydrophobicContact CD1-CE1 3.85Å; L85-F538 HydrophobicContact CD1-CZ 4.26Å; L85-Y549 HydrophobicContact CB-CD1 3.98Å; L85-Y549 HydrophobicContact CB-CD2 3.92Å; L85-Y549 HydrophobicContact CB-CE1 3.83Å; L85-Y549 HydrophobicContact CB-CE2 3.78Å; L85-Y549 HydrophobicContact CB-CG 4.05Å; L85-Y549 HydrophobicContact CD1-CD1 3.94Å; L85-Y549 HydrophobicContact CD1-CD2 4.16Å; L85-Y549 HydrophobicContact CD1-CG 3.71Å; L85-Y549 PolarHBondContact O-OH 2.87Å; L85-I591 HydrophobicContact CD2-CG2 4.21Å; L85-F593 HydrophobicContact CD1-CD1 4.28Å; L85-F593 HydrophobicContact CD1-CE1 3.82Å; L85-F593 HydrophobicContact CD2-CD1 3.64Å; L85-F593 HydrophobicContact CD2-CE1 3.95Å; L85-F593 HydrophobicContact CD2-CG 4.11Å
86	K	93.1	Very high	85.3	Confident	144 Å²	144	74.8 Å²	74.8	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-65.9	-44.3	174.8	-177.1	-179.1	177.9	-176.2	0	112.9	Q82 S83 K84 N88 T89 Y549	Q82-K86 WeakPolarHBondContact O-CB 3.32Å; Q82-K86 PolarHBondContact O-N 3.25Å; S83-K86 WeakPolarHBondContact O-CB 3.49Å; S83-K86 PolarHBondContact O-N 2.73Å; S83-K86 VanDerWaalsContact O-N 3.16Å; K84-K86 VanDerWaalsContact C-N 3.25Å; K84-K86 PolarHBondContact O-N 2.95Å; K86-N88 PolarHBondContact O-N 2.91Å; K86-T89 PolarHBondContact O-N 2.58Å; K86-Y549 WeakPolarHBondContact CA-OH 3.44Å; K86-Y549 HydrophobicContact CB-CE2 4.47Å; K86-Y549 PolarHBondContact N-OH 2.87Å
87	D	92.6	Very high	85.3	Confident	124 Å²	124	71.9 Å²	71.9	66%	0.663	37%	0.373	S	S	*	.	H	α-helix	trans	-69.7	-16.2	177.8	-61	-27.6	0	0	0	111.7	S83 K84	S83-D87 VanDerWaalsContact O-CG 3.32Å; S83-D87 PolarHBondContact O-N 2.66Å; K84-D87 PolarHBondContact O-N 3.48Å
88	N	94.6	Very high	85.6	Confident	24 Å²	24	63.5 Å²	63.5	13%	0.128	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	20.7	175.8	-66.5	-91.1	0	0	0	113.9	K84 L85 K86 H90 D592 E595	K84-N88 PolarHBondContact O-N 2.87Å; K84-N88 VanDerWaalsContact O-N 3.15Å; K84-N88 PolarHBondContact O-ND2 3.22Å; L85-N88 CarbonylContact O-C 3.53Å; L85-N88 VanDerWaalsContact O-C 3.23Å; L85-N88 PolarHBondContact O-N 3.09Å; K86-N88 PolarHBondContact O-N 2.91Å; N88-H90 PolarHBondContact O-CD2 3.01Å; N88-D592 HydrophobicContact CB-CB 4.26Å; N88-D592 WeakPolarHBondContact CB-O 3.34Å; N88-D592 PolarHBondContact O-N 3.18Å; N88-D592 VanDerWaalsContact O-N 3.09Å; N88-E595 VanDerWaalsContact ND2-CD 3.35Å; N88-E595 PolarHBondContact ND2-OE2 3.49Å
89	T	96.8	Very high	85.6	Confident	28 Å²	28	64.9 Å²	64.9	17%	0.172	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116	173.4	-66.2	0	0	0	0	109.9	L85 K86 Y549 F551 F589 I591	L85-T89 WeakPolarHBondContact O-CB 3.26Å; L85-T89 PolarHBondContact O-N 3.5Å; L85-T89 PolarHBondContact O-OG1 2.9Å; K86-T89 PolarHBondContact O-N 2.58Å; T89-Y549 WeakPolarHBondContact OG1-CE1 3.42Å; T89-Y549 PolarHBondContact OG1-OH 3.48Å; T89-F551 HydrophobicContact CG2-CB 4.41Å; T89-F589 HydrophobicContact CG2-CD1 4.31Å; T89-I591 HydrophobicContact CG2-CG1 4.2Å
90	H	96.8	Very high	85.7	Confident	61 Å²	61	58.5 Å²	58.5	28%	0.282	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.3	-175.2	-54.6	-91.9	0	0	0	109.7	N88 K141 F589 T590	N88-H90 PolarHBondContact O-CD2 3.01Å; H90-K141 HydrophobicContact CB-CB 3.64Å; H90-K141 HydrophobicContact CB-CG 3.96Å; H90-F589 CarbonylContact O-C 3.59Å; H90-F589 WeakPolarHBondContact O-CA 3.43Å; H90-T590 PolarHBondContact N-O 3.36Å; H90-T590 PolarHBondContact O-N 3Å
91	S	95	Very high	86.1	Confident	77 Å²	77	57.8 Å²	57.8	54%	0.538	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.6	179.6	64.4	0	0	0	0	111.6	S588	S91-S588 CarbonylContact C-O 3.39Å; S91-S588 WeakPolarHBondContact CA-O 3.27Å
92	Y	94	Very high	86.4	Confident	55 Å²	55	57.9 Å²	57.9	22%	0.216	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.2	173.5	-169.4	-86.3	0	0	0	110.9	L94 F143 V587 S588	Y92-L94 HydrophobicContact CD1-CD1 3.94Å; Y92-L94 HydrophobicContact CD1-CG 4.32Å; Y92-L94 HydrophobicContact CE1-CD1 4.33Å; Y92-L94 HydrophobicContact CE1-CG 4.19Å; Y92-F143 HydrophobicContact CD1-CB 4.04Å; Y92-F143 HydrophobicContact CD1-CD2 4.04Å; Y92-F143 HydrophobicContact CD1-CG 4.42Å; Y92-F143 HydrophobicContact CD2-CB 4.27Å; Y92-F143 HydrophobicContact CE1-CB 3.74Å; Y92-F143 HydrophobicContact CE2-CB 3.94Å; Y92-F143 WeakPolarHBondContact CE2-O 3.02Å; Y92-F143 HydrophobicContact CG-CB 4.3Å; Y92-F143 HydrophobicContact CG-CD2 4.07Å; Y92-F143 PolarHBondContact OH-O 3.06Å; Y92-V587 CarbonylContact O-C 3.57Å; Y92-V587 WeakPolarHBondContact O-CA 3.36Å; Y92-V587 WeakPolarHBondContact O-CG2 2.77Å; Y92-S588 PolarHBondContact N-O 3.37Å; Y92-S588 PolarHBondContact O-N 3.22Å
93	T	91.2	Very high	86.7	Confident	51 Å²	51	57.4 Å²	57.4	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.5	178.6	-54.7	0	0	0	0	109.4	N95 N585 W586	T93-N95 PolarHBondContact O-N 3.07Å; T93-N585 HydrophobicContact CG2-CB 4.04Å; T93-W586 CarbonylContact C-O 3.49Å; T93-W586 WeakPolarHBondContact CA-O 3.48Å
94	L	87.6	Confident	87	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.8	175.5	-65.3	76.2	0	0	0	107.7	Y92 D96 T117 Y134 W575 W586	Y92-L94 HydrophobicContact CD1-CD1 3.94Å; Y92-L94 HydrophobicContact CD1-CG 4.32Å; Y92-L94 HydrophobicContact CE1-CD1 4.33Å; Y92-L94 HydrophobicContact CE1-CG 4.19Å; L94-D96 VanDerWaalsContact C-N 3.27Å; L94-D96 PolarHBondContact O-N 2.81Å; L94-T117 HydrophobicContact CD2-CG2 4.14Å; L94-Y134 HydrophobicContact CB-CE2 4.28Å; L94-Y134 HydrophobicContact CD2-CD2 3.67Å; L94-Y134 HydrophobicContact CD2-CE2 3.84Å; L94-Y134 HydrophobicContact CD2-CG 4.31Å; L94-Y134 HydrophobicContact CG-CD2 4.26Å; L94-Y134 HydrophobicContact CG-CE2 4.22Å; L94-W575 HydrophobicContact CD1-CH2 4.25Å; L94-W575 HydrophobicContact CD1-CZ3 3.76Å; L94-W575 HydrophobicContact CD2-CZ3 4.29Å; L94-W586 HydrophobicContact CB-CB 4.1Å; L94-W586 HydrophobicContact CD1-CB 4.35Å; L94-W586 PolarHBondContact N-O 2.85Å
95	N	77.8	Confident	87.3	Confident	115 Å²	115	54 Å²	54	62%	0.615	31%	0.308	S	S	*	.			trans	-82.1	73.5	179.2	-67.7	-51.5	0	0	0	110	T93 K132	T93-N95 PolarHBondContact O-N 3.07Å; N95-K132 PolarHBondContact O-NZ 2.74Å
96	D	72.4	Confident	87.4	Confident	14 Å²	14	54 Å²	54	8%	0.075	31%	0.308	C	S	.	.			trans	-142.8	163.4	-177.3	-165.5	36.3	0	0	0	113.3	L94 S98 T117 K132	L94-D96 VanDerWaalsContact C-N 3.27Å; L94-D96 PolarHBondContact O-N 2.81Å; D96-S98 WeakPolarHBondContact OD2-CB 3.36Å; D96-S98 PolarHBondContact OD2-N 2.68Å; D96-S98 PolarHBondContact OD2-OG 2.79Å; D96-T117 VanDerWaalsContact OD2-CB 3.29Å; D96-T117 WeakPolarHBondContact OD2-CB 3.46Å; D96-T117 PolarHBondContact OD2-OG1 3.22Å; D96-K132 HydrophobicContact CB-CD 4.1Å; D96-K132 WeakPolarHBondContact OD1-CE 3.37Å; D96-K132 IonicContact OD1-NZ 2.82Å
97	L	64.8	Low	87.3	Confident	112 Å²	112	47.8 Å²	47.8	59%	0.586	29%	0.286	S	S	*	.			trans	-107.2	1.6	-177.6	-62.9	174.1	0	0	0	113.7	T583	L97-T583 HydrophobicContact CD2-CG2 4.29Å
98	S	70.1	Confident	87.3	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.028	27%	0.272	C	S	.	.			trans	-65	136.9	-179.4	-60	0	0	0	0	112.5	D96 S100 T117 T118 W586	D96-S98 WeakPolarHBondContact OD2-CB 3.36Å; D96-S98 PolarHBondContact OD2-N 2.68Å; D96-S98 PolarHBondContact OD2-OG 2.79Å; S98-S100 PolarHBondContact O-N 2.75Å; S98-T117 WeakPolarHBondContact OG-CB 3.42Å; S98-T117 PolarHBondContact OG-OG1 3.4Å; S98-T118 WeakPolarHBondContact CB-O 3.27Å; S98-T118 VanDerWaalsContact OG-C 3.25Å; S98-T118 PolarHBondContact OG-N 3.43Å; S98-T118 PolarHBondContact OG-O 2.88Å; S98-W586 PolarHBondContact O-NE1 3.29Å
99	G	69.6	Low	87.1	Confident	70 Å²	70	45.6 Å²	45.6	72%	0.722	28%	0.281	S	S	*	.	S	Bend	trans	-76.9	-3.3	175	0	0	0	0	0	114.6
100	S	78.2	Confident	87	Confident	52 Å²	52	46.2 Å²	46.2	36%	0.364	28%	0.284	S	S	.	.			trans	-144	154.3	-176	56	0	0	0	0	112.1	S98	S98-S100 PolarHBondContact O-N 2.75Å
101	V	88.3	Confident	86.9	Confident	32 Å²	32	43.3 Å²	43.3	19%	0.194	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.8	173	-171.1	0	0	0	0	108.1	L103 A115 L116 T117 W575 W586	V101-L103 HydrophobicContact CG1-CD2 3.75Å; V101-L103 HydrophobicContact CG1-CG 4.31Å; V101-A115 HydrophobicContact CG1-CB 4.11Å; V101-L116 WeakPolarHBondContact CA-O 3.46Å; V101-T117 HydrophobicContact CG1-CG2 4.22Å; V101-T117 HydrophobicContact CG2-CG2 4.05Å; V101-W575 HydrophobicContact CG1-CZ3 4.42Å; V101-W586 HydrophobicContact CG2-CD2 3.53Å; V101-W586 HydrophobicContact CG2-CE3 3.9Å; V101-W586 HydrophobicContact CG2-CG 3.85Å; V101-W586 HydrophobicContact CG2-CH2 4.37Å; V101-W586 HydrophobicContact CG2-CZ2 4.06Å; V101-W586 HydrophobicContact CG2-CZ3 4.29Å
102	S	92	Very high	87	Confident	42 Å²	42	39.9 Å²	39.9	29%	0.294	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.3	169	-57.9	0	0	0	0	109.2	A115 L116	S102-A115 WeakPolarHBondContact O-CA 3.45Å; S102-L116 PolarHBondContact N-O 3.25Å; S102-L116 PolarHBondContact O-N 2.89Å
103	L	93.9	Very high	87.1	Confident	71 Å²	71	37.4 Å²	37.4	37%	0.372	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.1	179.6	-59.6	178.2	0	0	0	110.6	V101 L114 A115 A562 W575	V101-L103 HydrophobicContact CG1-CD2 3.75Å; V101-L103 HydrophobicContact CG1-CG 4.31Å; L103-L114 WeakPolarHBondContact CA-O 3.43Å; L103-A115 HydrophobicContact CD2-CB 3.47Å; L103-A115 VanDerWaalsContact CD2-CB 3.47Å; L103-A562 HydrophobicContact CD1-CB 4.32Å; L103-W575 HydrophobicContact CD1-CD2 3.97Å; L103-W575 HydrophobicContact CD1-CG 4.26Å; L103-W575 HydrophobicContact CD1-CZ2 3.93Å; L103-W575 HydrophobicContact CD2-CH2 3.68Å; L103-W575 HydrophobicContact CD2-CZ2 3.63Å; L103-W575 HydrophobicContact CD2-CZ3 4.22Å; L103-W575 HydrophobicContact CG-CZ2 4.46Å
104	A	95.7	Very high	87.4	Confident	14 Å²	14	35 Å²	35	12%	0.116	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127.4	173.3	0	0	0	0	0	111.6	I113 L114 I161 I163	A104-I113 WeakPolarHBondContact O-CA 3.31Å; A104-L114 PolarHBondContact N-O 3.34Å; A104-L114 PolarHBondContact O-N 3.11Å; A104-I161 HydrophobicContact CB-CB 3.9Å; A104-I161 HydrophobicContact CB-CD1 3.85Å; A104-I161 HydrophobicContact CB-CG1 4.45Å; A104-I161 HydrophobicContact CB-CG2 3.9Å; A104-I163 HydrophobicContact CB-CD1 3.98Å; A104-I163 HydrophobicContact CB-CG1 3.89Å
105	W	95.9	Very high	87.7	Confident	42 Å²	42	35 Å²	35	16%	0.159	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	141	167.5	-68.8	92.3	0	0	0	109.9	V112 I113 Y139 S563 E564 P565	W105-V112 WeakPolarHBondContact CA-O 3.13Å; W105-I113 HydrophobicContact CD2-CD1 4.4Å; W105-I113 HydrophobicContact CD2-CG1 3.93Å; W105-I113 HydrophobicContact CE3-CD1 4.3Å; W105-I113 HydrophobicContact CE3-CG1 3.69Å; W105-I113 HydrophobicContact CH2-CD1 3.52Å; W105-I113 HydrophobicContact CH2-CG1 3.83Å; W105-I113 HydrophobicContact CZ2-CD1 3.61Å; W105-I113 HydrophobicContact CZ2-CG1 4.06Å; W105-I113 HydrophobicContact CZ3-CD1 3.89Å; W105-I113 HydrophobicContact CZ3-CG1 3.64Å; W105-Y139 AromaticContact CH2-CD1 3.8Å; W105-Y139 HydrophobicContact CH2-CD1 3.8Å; W105-Y139 HydrophobicContact CH2-CG 4.36Å; W105-Y139 AromaticContact CZ3-CD1 3.64Å; W105-Y139 HydrophobicContact CZ3-CD1 3.64Å; W105-Y139 HydrophobicContact CZ3-CE1 4.32Å; W105-Y139 HydrophobicContact CZ3-CG 4.26Å; W105-S563 VanDerWaalsContact CE2-O 3.31Å; W105-S563 WeakPolarHBondContact CZ2-O 3.44Å; W105-S563 PolarHBondContact NE1-O 2.86Å; W105-E564 HydrophobicContact CE3-CB 4.48Å; W105-E564 HydrophobicContact CH2-CB 4.2Å; W105-E564 HydrophobicContact CZ2-CB 4.43Å; W105-E564 HydrophobicContact CZ3-CB 4.22Å; W105-P565 HydrophobicContact CG-CG 4.36Å
106	V	96.1	Very high	88.4	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	19%	0.193	C	C	.	.			trans	-118.1	90.5	-177.9	-162.5	0	0	0	0	109.8	T110 V112 L114 I163 V171 F191	V106-T110 WeakPolarHBondContact O-CG2 3.49Å; V106-T110 PolarHBondContact O-OG1 2.85Å; V106-V112 HydrophobicContact CB-CB 4.17Å; V106-V112 HydrophobicContact CB-CG1 3.83Å; V106-V112 HydrophobicContact CG2-CG1 3.88Å; V106-V112 PolarHBondContact N-O 2.92Å; V106-L114 HydrophobicContact CG2-CD1 3.96Å; V106-L114 HydrophobicContact CG2-CG 3.91Å; V106-I163 HydrophobicContact CG1-CD1 4.44Å; V106-I163 HydrophobicContact CG2-CD1 3.9Å; V106-V171 HydrophobicContact CG1-CG2 3.71Å; V106-V171 HydrophobicContact CG2-CG2 4.22Å; V106-F191 HydrophobicContact CG1-CB 4.33Å; V106-F191 HydrophobicContact CG1-CD1 4.07Å; V106-F191 WeakPolarHBondContact O-CD1 3.37Å
107	G	91.1	Very high	89.3	Confident	15 Å²	15	28.9 Å²	28.9	16%	0.155	19%	0.19	C	C	.	.	S	Bend	trans	82.2	165.9	-173.9	0	0	0	0	0	113.9	T110 N167	G107-T110 PolarHBondContact O-OG1 3.27Å; G107-N167 WeakPolarHBondContact CA-OD1 3.02Å
108	D	91.5	Very high	90.3	Very high	72 Å²	72	24.4 Å²	24.4	39%	0.385	17%	0.167	S	C	.	.	S	Bend	trans	-101.7	124	-177.5	165.2	51.2	0	0	0	110.5	T110 N167 R644	D108-T110 VanDerWaalsContact C-N 3.31Å; D108-N167 PolarHBondContact N-OD1 2.9Å; D108-N167 PolarHBondContact O-ND2 2.9Å; D108-N167 PolarHBondContact O-OD1 3.35Å; D108-R644 IonicContact OD1-CZ 2.74Å; D108-R644 VanDerWaalsContact OD1-CZ 3.23Å; D108-R644 IonicContact OD1-NH1 2.74Å; D108-R644 PolarHBondContact OD1-NH1 2.85Å; D108-R644 IonicContact OD1-NH2 3.64Å; D108-R644 PolarHBondContact OD1-NH2 2.94Å; D108-R644 IonicContact OD2-CZ 2.74Å; D108-R644 IonicContact OD2-NH1 3.2Å; D108-R644 IonicContact OD2-NH2 3.57Å; D108-R644 PolarHBondContact OD2-NH2 2.83Å
109	G	91.3	Very high	90.7	Very high	30 Å²	30	28 Å²	28	31%	0.309	18%	0.182	S	C	.	.	S	Bend	trans	82.9	2.4	-176.7	0	0	0	0	0	115	Y139 E564	G109-Y139 PolarHBondContact O-OH 3.43Å; G109-E564 VanDerWaalsContact CA-OE1 3.24Å; G109-E564 WeakPolarHBondContact CA-OE1 3.48Å; G109-E564 PolarHBondContact N-OE1 3.43Å
110	T	94.1	Very high	90.9	Very high	40 Å²	40	29.1 Å²	29.1	25%	0.245	17%	0.169	C	C	.	.	S	Bend	trans	-80.6	-23.5	-176.4	66.6	0	0	0	0	112.9	V106 G107 D108 V112 F191	V106-T110 WeakPolarHBondContact O-CG2 3.49Å; V106-T110 PolarHBondContact O-OG1 2.85Å; G107-T110 PolarHBondContact O-OG1 3.27Å; D108-T110 VanDerWaalsContact C-N 3.31Å; T110-V112 PolarHBondContact O-N 2.9Å; T110-V112 PolarHBondContact OG1-N 3.48Å; T110-V112 VanDerWaalsContact OG1-N 3.09Å; T110-F191 HydrophobicContact CG2-CD1 3.95Å; T110-F191 HydrophobicContact CG2-CE1 3.68Å
111	G	93.8	Very high	90.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.167	C	C	.	.			trans	66.9	5.5	-168.3	0	0	0	0	0	114.5	E137 D138 Y139	G111-E137 CarbonylContact O-C 3.5Å; G111-E137 VanDerWaalsContact O-C 3.27Å; G111-D138 PolarHBondContact O-N 2.74Å; G111-Y139 VanDerWaalsContact CA-CE2 3.46Å; G111-Y139 PolarHBondContact O-N 3.42Å
112	V	97.3	Very high	88.9	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.03	20%	0.197	C	C	.	.			trans	-86.1	120.8	-173.1	178.9	0	0	0	0	111.1	W105 V106 T110 S136 F191	W105-V112 WeakPolarHBondContact CA-O 3.13Å; V106-V112 HydrophobicContact CB-CB 4.17Å; V106-V112 HydrophobicContact CB-CG1 3.83Å; V106-V112 HydrophobicContact CG2-CG1 3.88Å; V106-V112 PolarHBondContact N-O 2.92Å; T110-V112 PolarHBondContact O-N 2.9Å; T110-V112 PolarHBondContact OG1-N 3.48Å; T110-V112 VanDerWaalsContact OG1-N 3.09Å; V112-S136 WeakPolarHBondContact CA-O 3.48Å; V112-F191 HydrophobicContact CG1-CB 4.39Å; V112-F191 WeakPolarHBondContact CG1-O 3.23Å; V112-F191 HydrophobicContact CG2-CB 4.26Å
113	I	97.1	Very high	87	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.8	172	-51	178.2	0	0	0	108.7	A104 W105 R135 S136 F143	A104-I113 WeakPolarHBondContact O-CA 3.31Å; W105-I113 HydrophobicContact CD2-CD1 4.4Å; W105-I113 HydrophobicContact CD2-CG1 3.93Å; W105-I113 HydrophobicContact CE3-CD1 4.3Å; W105-I113 HydrophobicContact CE3-CG1 3.69Å; W105-I113 HydrophobicContact CH2-CD1 3.52Å; W105-I113 HydrophobicContact CH2-CG1 3.83Å; W105-I113 HydrophobicContact CZ2-CD1 3.61Å; W105-I113 HydrophobicContact CZ2-CG1 4.06Å; W105-I113 HydrophobicContact CZ3-CD1 3.89Å; W105-I113 HydrophobicContact CZ3-CG1 3.64Å; I113-R135 WeakPolarHBondContact O-CA 3.36Å; I113-S136 PolarHBondContact N-O 3.37Å; I113-S136 PolarHBondContact O-N 2.86Å; I113-F143 HydrophobicContact CB-CE1 4.2Å; I113-F143 HydrophobicContact CB-CZ 4.38Å; I113-F143 HydrophobicContact CG2-CE1 4.21Å; I113-F143 HydrophobicContact CG2-CZ 4.34Å
114	L	96.8	Very high	84.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.2	162	-66.3	177	0	0	0	109.6	L103 A104 V106 L133 Y134 R135 I161 V171 F195	L103-L114 WeakPolarHBondContact CA-O 3.43Å; A104-L114 PolarHBondContact N-O 3.34Å; A104-L114 PolarHBondContact O-N 3.11Å; V106-L114 HydrophobicContact CG2-CD1 3.96Å; V106-L114 HydrophobicContact CG2-CG 3.91Å; L114-L133 HydrophobicContact CB-CD1 4.39Å; L114-L133 HydrophobicContact CD2-CD1 4.37Å; L114-Y134 WeakPolarHBondContact CA-O 3.12Å; L114-R135 HydrophobicContact CD2-CB 3.81Å; L114-R135 HydrophobicContact CD2-CG 3.75Å; L114-I161 HydrophobicContact CB-CD1 4.2Å; L114-I161 HydrophobicContact CD1-CG2 4.35Å; L114-V171 HydrophobicContact CD1-CB 4.36Å; L114-V171 HydrophobicContact CD1-CG1 3.69Å; L114-V171 HydrophobicContact CD1-CG2 3.89Å; L114-F195 HydrophobicContact CD1-CZ 4.42Å
115	A	94.5	Very high	82.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	108	171.8	0	0	0	0	0	108.8	V101 S102 L103 Y134 F143 W575	V101-A115 HydrophobicContact CG1-CB 4.11Å; S102-A115 WeakPolarHBondContact O-CA 3.45Å; L103-A115 HydrophobicContact CD2-CB 3.47Å; L103-A115 VanDerWaalsContact CD2-CB 3.47Å; A115-Y134 PolarHBondContact N-O 3.22Å; A115-Y134 PolarHBondContact O-N 3.38Å; A115-F143 HydrophobicContact CB-CE1 4.13Å; A115-W575 HydrophobicContact CB-CH2 4.31Å
116	L	92.8	Very high	80.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.4	176.2	175.8	71	0	0	0	108.9	V101 S102 T118 K132 L133 I155 I161	V101-L116 WeakPolarHBondContact CA-O 3.46Å; S102-L116 PolarHBondContact N-O 3.25Å; S102-L116 PolarHBondContact O-N 2.89Å; L116-T118 HydrophobicContact CD1-CG2 4.48Å; L116-T118 HydrophobicContact CD2-CG2 4.3Å; L116-T118 HydrophobicContact CG-CG2 4.13Å; L116-K132 WeakPolarHBondContact CA-O 3.28Å; L116-L133 HydrophobicContact CB-CD1 4.28Å; L116-L133 HydrophobicContact CD1-CD1 4.36Å; L116-I155 HydrophobicContact CD1-CB 4.01Å; L116-I155 HydrophobicContact CD1-CG1 3.92Å; L116-I155 HydrophobicContact CD1-CG2 4.35Å; L116-I155 HydrophobicContact CD2-CB 4.12Å; L116-I155 HydrophobicContact CD2-CG2 3.69Å; L116-I161 HydrophobicContact CB-CD1 3.82Å; L116-I161 HydrophobicContact CB-CG1 4.23Å; L116-I161 HydrophobicContact CD2-CG1 4.24Å
117	T	90	Very high	78.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.4	169.9	71.3	0	0	0	0	109.8	L94 D96 S98 V101 S131 K132 Y134	L94-T117 HydrophobicContact CD2-CG2 4.14Å; D96-T117 VanDerWaalsContact OD2-CB 3.29Å; D96-T117 WeakPolarHBondContact OD2-CB 3.46Å; D96-T117 PolarHBondContact OD2-OG1 3.22Å; S98-T117 WeakPolarHBondContact OG-CB 3.42Å; S98-T117 PolarHBondContact OG-OG1 3.4Å; V101-T117 HydrophobicContact CG1-CG2 4.22Å; V101-T117 HydrophobicContact CG2-CG2 4.05Å; T117-S131 CarbonylContact O-C 3.54Å; T117-S131 WeakPolarHBondContact O-CA 3.38Å; T117-S131 WeakPolarHBondContact O-CB 3.37Å; T117-K132 PolarHBondContact N-O 2.98Å; T117-K132 PolarHBondContact O-N 2.82Å; T117-K132 WeakPolarHBondContact OG1-CB 3.31Å; T117-Y134 HydrophobicContact CG2-CD2 4.42Å; T117-Y134 HydrophobicContact CG2-CE2 4.27Å
118	T	85.9	Confident	77.3	Confident	18 Å²	18	68.6 Å²	68.6	11%	0.11	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.5	-179.3	60.3	0	0	0	0	111.2	S98 L116 A157	S98-T118 WeakPolarHBondContact CB-O 3.27Å; S98-T118 VanDerWaalsContact OG-C 3.25Å; S98-T118 PolarHBondContact OG-N 3.43Å; S98-T118 PolarHBondContact OG-O 2.88Å; L116-T118 HydrophobicContact CD1-CG2 4.48Å; L116-T118 HydrophobicContact CD2-CG2 4.3Å; L116-T118 HydrophobicContact CG-CG2 4.13Å; T118-A157 HydrophobicContact CG2-CB 4.14Å
119	F	79.7	Confident	76.5	Confident	80 Å²	80	66.8 Å²	66.8	35%	0.351	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.5	178.7	-177.1	-114.7	0	0	0	109.8	V121 G129 Q130	F119-V121 HydrophobicContact CD1-CG2 4.12Å; F119-V121 HydrophobicContact CE1-CG2 3.37Å; F119-V121 HydrophobicContact CZ-CG2 3.91Å; F119-G129 CarbonylContact O-C 3.51Å; F119-G129 WeakPolarHBondContact O-CA 3.33Å; F119-Q130 PolarHBondContact N-O 2.87Å; F119-Q130 PolarHBondContact O-N 2.83Å; F119-Q130 VanDerWaalsContact O-O 3.09Å
120	Q	72.6	Confident	76	Confident	94 Å²	94	70.1 Å²	70.1	44%	0.439	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.1	179.9	-175	177.2	-10	0	0	109.9	P122	Q120-P122 WeakPolarHBondContact O-CD 3.47Å
121	V	66.9	Low	75.8	Confident	54 Å²	54	68.2 Å²	68.2	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.5	176.4	-175.3	0	0	0	0	108.9	F119 F123 F128	F119-V121 HydrophobicContact CD1-CG2 4.12Å; F119-V121 HydrophobicContact CE1-CG2 3.37Å; F119-V121 HydrophobicContact CZ-CG2 3.91Å; V121-F123 VanDerWaalsContact C-N 3.3Å; V121-F123 HydrophobicContact CG1-CB 4.45Å; V121-F123 PolarHBondContact O-N 2.88Å; V121-F128 PolarHBondContact N-O 3.31Å
122	P	58.3	Low	75.7	Confident	125 Å²	125	69.9 Å²	69.9	81%	0.812	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	82.8	170.8	31.4	-33.7	0	0	0	109.7	Q120	Q120-P122 WeakPolarHBondContact O-CD 3.47Å
123	F	52.6	Low	75.5	Confident	140 Å²	140	69.7 Å²	69.7	61%	0.614	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	148.7	171.7	-147.7	-94.6	0	0	0	110.9	V121 L125 L126 F128	V121-F123 VanDerWaalsContact C-N 3.3Å; V121-F123 HydrophobicContact CG1-CB 4.45Å; V121-F123 PolarHBondContact O-N 2.88Å; F123-L125 PolarHBondContact O-N 2.85Å; F123-L125 VanDerWaalsContact O-N 3.08Å; F123-L126 PolarHBondContact O-N 3.24Å; F123-F128 HydrophobicContact CB-CD2 4.42Å
124	F	47.4	Very low	75.4	Confident	192 Å²	192	69.7 Å²	69.7	84%	0.842	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	118.2	-176.1	-91.8	-97.4	0	0	0	111.7	L126	F124-L126 PolarHBondContact O-N 3.44Å; F124-L126 VanDerWaalsContact O-N 3.13Å
125	L	47.7	Very low	75.4	Confident	177 Å²	177	70.5 Å²	70.5	93%	0.927	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	7.3	177.5	-61.9	163.2	0	0	0	116.6	F123	F123-L125 PolarHBondContact O-N 2.85Å; F123-L125 VanDerWaalsContact O-N 3.08Å
126	L	52.2	Low	75.6	Confident	104 Å²	104	70.6 Å²	70.6	55%	0.545	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	114	178	-74.1	171	0	0	0	111.6	F123 F124 F128	F123-L126 PolarHBondContact O-N 3.24Å; F124-L126 PolarHBondContact O-N 3.44Å; F124-L126 VanDerWaalsContact O-N 3.13Å; L126-F128 HydrophobicContact CB-CD2 4.02Å; L126-F128 HydrophobicContact CB-CE2 3.57Å; L126-F128 HydrophobicContact CB-CZ 4.27Å; L126-F128 HydrophobicContact CD1-CE2 3.86Å; L126-F128 HydrophobicContact CD1-CZ 3.99Å; L126-F128 HydrophobicContact CG-CE2 4.32Å; L126-F128 PolarHBondContact O-N 2.84Å
127	R	56.2	Low	75.7	Confident	184 Å²	184	75.1 Å²	75.1	69%	0.694	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	102.3	168.7	-69.9	-178.1	173.4	-176.5	-3.6	109.2	E176	R127-E176 IonicContact NH1-OE2 2.74Å
128	F	65.3	Low	76	Confident	122 Å²	122	77.2 Å²	77.2	54%	0.535	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	98	166.5	-72.2	-78.1	0	0	0	109	V121 F123 L126	V121-F128 PolarHBondContact N-O 3.31Å; F123-F128 HydrophobicContact CB-CD2 4.42Å; L126-F128 HydrophobicContact CB-CD2 4.02Å; L126-F128 HydrophobicContact CB-CE2 3.57Å; L126-F128 HydrophobicContact CB-CZ 4.27Å; L126-F128 HydrophobicContact CD1-CE2 3.86Å; L126-F128 HydrophobicContact CD1-CZ 3.99Å; L126-F128 HydrophobicContact CG-CE2 4.32Å; L126-F128 PolarHBondContact O-N 2.84Å
129	G	73.3	Confident	76.5	Confident	33 Å²	33	78.3 Å²	78.3	34%	0.34	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.1	170.2	0	0	0	0	0	111.1	F119	F119-G129 CarbonylContact O-C 3.51Å; F119-G129 WeakPolarHBondContact O-CA 3.33Å
130	Q	81.4	Confident	77.2	Confident	100 Å²	100	74.5 Å²	74.5	47%	0.467	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143	165.2	-178.3	169.4	6.7	0	0	108.8	F119	F119-Q130 PolarHBondContact N-O 2.87Å; F119-Q130 PolarHBondContact O-N 2.83Å; F119-Q130 VanDerWaalsContact O-O 3.09Å
131	S	89.4	Confident	78.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.3	168.9	-57.6	0	0	0	0	109.5	T117 T147 F154 I155	T117-S131 CarbonylContact O-C 3.54Å; T117-S131 WeakPolarHBondContact O-CA 3.38Å; T117-S131 WeakPolarHBondContact O-CB 3.37Å; S131-T147 WeakPolarHBondContact O-CG2 3.48Å; S131-F154 WeakPolarHBondContact OG-CA 3.25Å; S131-F154 WeakPolarHBondContact OG-CD2 3.47Å; S131-I155 PolarHBondContact OG-N 2.77Å
132	K	91.6	Very high	79.7	Confident	35 Å²	35	73 Å²	73	15%	0.152	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.1	164.7	-56.9	-171	-177.5	-174.5	0	110.5	N95 D96 L116 T117 Y134 T147	N95-K132 PolarHBondContact O-NZ 2.74Å; D96-K132 HydrophobicContact CB-CD 4.1Å; D96-K132 WeakPolarHBondContact OD1-CE 3.37Å; D96-K132 IonicContact OD1-NZ 2.82Å; L116-K132 WeakPolarHBondContact CA-O 3.28Å; T117-K132 PolarHBondContact N-O 2.98Å; T117-K132 PolarHBondContact O-N 2.82Å; T117-K132 WeakPolarHBondContact OG1-CB 3.31Å; K132-Y134 HydrophobicContact CB-CD2 4.38Å; K132-Y134 HydrophobicContact CB-CE2 3.75Å; K132-Y134 HydrophobicContact CD-CE2 4.12Å; K132-Y134 WeakPolarHBondContact CD-OH 3.31Å; K132-T147 VanDerWaalsContact CA-OG1 3.25Å; K132-T147 WeakPolarHBondContact CA-OG1 3.32Å; K132-T147 WeakPolarHBondContact CB-OG1 3.39Å
133	L	94.1	Very high	81.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.1	176.5	-174.6	66.7	0	0	0	108.6	L114 L116 V146 T147 I150 L173 F195	L114-L133 HydrophobicContact CB-CD1 4.39Å; L114-L133 HydrophobicContact CD2-CD1 4.37Å; L116-L133 HydrophobicContact CB-CD1 4.28Å; L116-L133 HydrophobicContact CD1-CD1 4.36Å; L133-V146 HydrophobicContact CB-CG2 4.24Å; L133-V146 HydrophobicContact CD2-CG2 4.02Å; L133-V146 HydrophobicContact CG-CG2 3.86Å; L133-V146 CarbonylContact O-C 3.6Å; L133-V146 WeakPolarHBondContact O-CA 3.06Å; L133-V146 WeakPolarHBondContact O-CG2 3.26Å; L133-V146 PolarHBondContact O-N 2.96Å; L133-T147 PolarHBondContact N-OG1 2.76Å; L133-T147 PolarHBondContact O-N 2.72Å; L133-I150 HydrophobicContact CB-CD1 4.15Å; L133-I150 HydrophobicContact CD2-CG2 4.18Å; L133-L173 HydrophobicContact CD1-CD1 4.28Å; L133-L173 HydrophobicContact CD2-CD1 3.75Å; L133-F195 HydrophobicContact CD2-CD2 4.48Å; L133-F195 HydrophobicContact CD2-CE2 3.77Å; L133-F195 HydrophobicContact CD2-CZ 4Å
134	Y	95.1	Very high	83.5	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	146.2	173.9	-63.2	-82.1	0	0	0	110.2	L94 L114 A115 T117 K132 E144 D145	L94-Y134 HydrophobicContact CB-CE2 4.28Å; L94-Y134 HydrophobicContact CD2-CD2 3.67Å; L94-Y134 HydrophobicContact CD2-CE2 3.84Å; L94-Y134 HydrophobicContact CD2-CG 4.31Å; L94-Y134 HydrophobicContact CG-CD2 4.26Å; L94-Y134 HydrophobicContact CG-CE2 4.22Å; L114-Y134 WeakPolarHBondContact CA-O 3.12Å; A115-Y134 PolarHBondContact N-O 3.22Å; A115-Y134 PolarHBondContact O-N 3.38Å; T117-Y134 HydrophobicContact CG2-CD2 4.42Å; T117-Y134 HydrophobicContact CG2-CE2 4.27Å; K132-Y134 HydrophobicContact CB-CD2 4.38Å; K132-Y134 HydrophobicContact CB-CE2 3.75Å; K132-Y134 HydrophobicContact CD-CE2 4.12Å; K132-Y134 WeakPolarHBondContact CD-OH 3.31Å; Y134-E144 CarbonylContact C-O 3.52Å; Y134-E144 VanDerWaalsContact CA-O 3.27Å; Y134-E144 WeakPolarHBondContact CA-O 3.41Å; Y134-D145 HydrophobicContact CD1-CB 3.98Å; Y134-D145 HydrophobicContact CE1-CB 3.72Å; Y134-D145 WeakPolarHBondContact CE1-OD2 3.47Å; Y134-D145 PolarHBondContact OH-OD2 3.48Å
135	R	96.9	Very high	85.8	Confident	16 Å²	16	61.5 Å²	61.5	6%	0.06	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.6	-177.9	-177	172.4	-178.2	-72.4	-14.6	112.3	I113 L114 E137 F143 E144 V146 F191 G192	I113-R135 WeakPolarHBondContact O-CA 3.36Å; L114-R135 HydrophobicContact CD2-CB 3.81Å; L114-R135 HydrophobicContact CD2-CG 3.75Å; R135-E137 IonicContact CZ-OE1 3.66Å; R135-E137 VanDerWaalsContact NH1-CD 3.31Å; R135-E137 IonicContact NH1-OE1 2.62Å; R135-E137 PolarHBondContact NH1-OE1 3.27Å; R135-E137 IonicContact NH2-OE1 2.68Å; R135-E137 PolarHBondContact NH2-OE1 3.16Å; R135-F143 CarbonylContact O-C 3.55Å; R135-F143 WeakPolarHBondContact O-CA 3.36Å; R135-E144 PolarHBondContact N-O 2.93Å; R135-E144 PolarHBondContact O-N 2.81Å; R135-V146 HydrophobicContact CB-CG1 4.13Å; R135-V146 HydrophobicContact CB-CG2 3.76Å; R135-F191 VanDerWaalsContact CZ-O 3.24Å; R135-F191 PolarHBondContact NE-O 3.44Å; R135-F191 PolarHBondContact NH2-O 2.93Å; R135-G192 VanDerWaalsContact CD-O 3.27Å; R135-G192 WeakPolarHBondContact CD-O 3.47Å; R135-G192 PolarHBondContact NE-O 2.98Å
136	S	97.4	Very high	88	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	155.9	171.2	172.7	0	0	0	0	110.7	V112 I113 D138 G140 T142	V112-S136 WeakPolarHBondContact CA-O 3.48Å; I113-S136 PolarHBondContact N-O 3.37Å; I113-S136 PolarHBondContact O-N 2.86Å; S136-D138 PolarHBondContact OG-N 3.37Å; S136-D138 PolarHBondContact OG-OD1 2.91Å; S136-G140 WeakPolarHBondContact OG-CA 3.37Å; S136-G140 PolarHBondContact OG-N 3.44Å; S136-T142 WeakPolarHBondContact CA-O 3.24Å; S136-T142 WeakPolarHBondContact CB-O 3.42Å; S136-T142 PolarHBondContact OG-O 2.99Å; S136-T142 VanDerWaalsContact OG-O 3.11Å
137	E	96.5	Very high	90	Very high	96 Å²	96	48.6 Å²	48.6	45%	0.449	23%	0.233	S	C	.	.	S	Bend	trans	-120.8	5.9	164.8	-47.9	-135.7	105.8	0	0	112.5	G111 R135 K193	G111-E137 CarbonylContact O-C 3.5Å; G111-E137 VanDerWaalsContact O-C 3.27Å; R135-E137 IonicContact CZ-OE1 3.66Å; R135-E137 VanDerWaalsContact NH1-CD 3.31Å; R135-E137 IonicContact NH1-OE1 2.62Å; R135-E137 PolarHBondContact NH1-OE1 3.27Å; R135-E137 IonicContact NH2-OE1 2.68Å; R135-E137 PolarHBondContact NH2-OE1 3.16Å; E137-K193 VanDerWaalsContact CD-NZ 3.28Å; E137-K193 WeakPolarHBondContact OE1-CE 3.29Å; E137-K193 IonicContact OE1-NZ 3.6Å; E137-K193 PolarHBondContact OE1-NZ 3.5Å; E137-K193 IonicContact OE2-NZ 2.85Å; E137-K193 PolarHBondContact OE2-NZ 3.49Å
138	D	96.3	Very high	91.8	Very high	44 Å²	44	44.8 Å²	44.8	24%	0.235	23%	0.227	C	C	.	.	S	Bend	trans	-131.5	32.2	-162.5	64.7	4.6	0	0	0	112.9	G111 S136 G140 K141 T142	G111-D138 PolarHBondContact O-N 2.74Å; S136-D138 PolarHBondContact OG-N 3.37Å; S136-D138 PolarHBondContact OG-OD1 2.91Å; D138-G140 PolarHBondContact O-N 2.83Å; D138-K141 HydrophobicContact CB-CB 4.37Å; D138-K141 WeakPolarHBondContact O-CD 3.22Å; D138-K141 VanDerWaalsContact O-CG 3.25Å; D138-K141 WeakPolarHBondContact O-CG 3.17Å; D138-K141 PolarHBondContact O-N 3.49Å; D138-K141 PolarHBondContact OD1-N 3.12Å; D138-T142 VanDerWaalsContact CG-N 3.34Å; D138-T142 PolarHBondContact OD1-N 2.69Å; D138-T142 WeakPolarHBondContact OD2-CB 3.26Å; D138-T142 PolarHBondContact OD2-N 2.85Å; D138-T142 PolarHBondContact OD2-OG1 2.03Å
139	Y	95.4	Very high	93.3	Very high	42 Å²	42	41.4 Å²	41.4	17%	0.165	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	27.4	-176.9	-57.7	-103.9	0	0	0	112.9	W105 G109 G111 E564 S569 N571 S573 T590	W105-Y139 AromaticContact CH2-CD1 3.8Å; W105-Y139 HydrophobicContact CH2-CD1 3.8Å; W105-Y139 HydrophobicContact CH2-CG 4.36Å; W105-Y139 AromaticContact CZ3-CD1 3.64Å; W105-Y139 HydrophobicContact CZ3-CD1 3.64Å; W105-Y139 HydrophobicContact CZ3-CE1 4.32Å; W105-Y139 HydrophobicContact CZ3-CG 4.26Å; G109-Y139 PolarHBondContact O-OH 3.43Å; G111-Y139 VanDerWaalsContact CA-CE2 3.46Å; G111-Y139 PolarHBondContact O-N 3.42Å; Y139-E564 HydrophobicContact CE1-CB 4.43Å; Y139-E564 WeakPolarHBondContact CE1-OE1 3.36Å; Y139-S569 WeakPolarHBondContact CD1-OG 3.43Å; Y139-S569 WeakPolarHBondContact CE1-OG 3.08Å; Y139-N571 HydrophobicContact CD1-CB 4.25Å; Y139-N571 HydrophobicContact CG-CB 4.05Å; Y139-S573 PolarHBondContact O-OG 3.23Å; Y139-T590 VanDerWaalsContact O-CG2 3.3Å; Y139-T590 WeakPolarHBondContact O-CG2 3.36Å
140	G	95.2	Very high	94.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	18.7	177.9	0	0	0	0	0	114.9	S136 D138 F143 T590	S136-G140 WeakPolarHBondContact OG-CA 3.37Å; S136-G140 PolarHBondContact OG-N 3.44Å; D138-G140 PolarHBondContact O-N 2.83Å; G140-F143 WeakPolarHBondContact O-CE2 3.34Å; G140-T590 VanDerWaalsContact C-OG1 3.24Å; G140-T590 WeakPolarHBondContact O-CB 3.46Å; G140-T590 PolarHBondContact O-OG1 2.82Å
141	K	95.4	Very high	94.7	Very high	35 Å²	35	39.7 Å²	39.7	15%	0.152	20%	0.2	C	C	.	.	S	Bend	trans	-73.9	-35.1	174.7	-64.5	172.4	-178.9	-165.8	0	111.5	H90 D138 N571 T590 D592	H90-K141 HydrophobicContact CB-CB 3.64Å; H90-K141 HydrophobicContact CB-CG 3.96Å; D138-K141 HydrophobicContact CB-CB 4.37Å; D138-K141 WeakPolarHBondContact O-CD 3.22Å; D138-K141 VanDerWaalsContact O-CG 3.25Å; D138-K141 WeakPolarHBondContact O-CG 3.17Å; D138-K141 PolarHBondContact O-N 3.49Å; D138-K141 PolarHBondContact OD1-N 3.12Å; K141-N571 WeakPolarHBondContact CE-OD1 3.34Å; K141-N571 PolarHBondContact NZ-OD1 3.2Å; K141-T590 HydrophobicContact CG-CG2 3.61Å; K141-D592 VanDerWaalsContact NZ-CB 3.33Å; K141-D592 IonicContact NZ-OD2 3.44Å; K141-D592 PolarHBondContact NZ-OD2 2.79Å
142	T	95.9	Very high	94.7	Very high	81 Å²	81	44.9 Å²	44.9	50%	0.497	23%	0.228	S	C	.	.	S	Bend	trans	-135.7	154.4	171	67.9	0	0	0	0	110.8	S136 D138	S136-T142 WeakPolarHBondContact CA-O 3.24Å; S136-T142 WeakPolarHBondContact CB-O 3.42Å; S136-T142 PolarHBondContact OG-O 2.99Å; S136-T142 VanDerWaalsContact OG-O 3.11Å; D138-T142 VanDerWaalsContact CG-N 3.34Å; D138-T142 PolarHBondContact OD1-N 2.69Å; D138-T142 WeakPolarHBondContact OD2-CB 3.26Å; D138-T142 PolarHBondContact OD2-N 2.85Å; D138-T142 PolarHBondContact OD2-OG1 2.03Å
143	F	95.3	Very high	94.6	Very high	12 Å²	12	44.3 Å²	44.3	5%	0.053	23%	0.227	C	C	.	.			trans	-133.1	138.9	175.5	-73	-96	0	0	0	110.7	Y92 I113 A115 R135 G140 W575	Y92-F143 HydrophobicContact CD1-CB 4.04Å; Y92-F143 HydrophobicContact CD1-CD2 4.04Å; Y92-F143 HydrophobicContact CD1-CG 4.42Å; Y92-F143 HydrophobicContact CD2-CB 4.27Å; Y92-F143 HydrophobicContact CE1-CB 3.74Å; Y92-F143 HydrophobicContact CE2-CB 3.94Å; Y92-F143 WeakPolarHBondContact CE2-O 3.02Å; Y92-F143 HydrophobicContact CG-CB 4.3Å; Y92-F143 HydrophobicContact CG-CD2 4.07Å; Y92-F143 PolarHBondContact OH-O 3.06Å; I113-F143 HydrophobicContact CB-CE1 4.2Å; I113-F143 HydrophobicContact CB-CZ 4.38Å; I113-F143 HydrophobicContact CG2-CE1 4.21Å; I113-F143 HydrophobicContact CG2-CZ 4.34Å; A115-F143 HydrophobicContact CB-CE1 4.13Å; R135-F143 CarbonylContact O-C 3.55Å; R135-F143 WeakPolarHBondContact O-CA 3.36Å; G140-F143 WeakPolarHBondContact O-CE2 3.34Å; F143-W575 HydrophobicContact CE2-CH2 4.17Å; F143-W575 HydrophobicContact CE2-CZ2 4.18Å; F143-W575 AromaticContact CZ-CH2 3.93Å; F143-W575 HydrophobicContact CZ-CH2 3.93Å; F143-W575 AromaticContact CZ-CZ2 3.83Å; F143-W575 HydrophobicContact CZ-CZ2 3.83Å
144	E	95.4	Very high	94.4	Very high	131 Å²	131	46.1 Å²	46.1	61%	0.612	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.7	168.3	-173.4	171.1	-154.8	0	0	109.4	Y134 R135 V146	Y134-E144 CarbonylContact C-O 3.52Å; Y134-E144 VanDerWaalsContact CA-O 3.27Å; Y134-E144 WeakPolarHBondContact CA-O 3.41Å; R135-E144 PolarHBondContact N-O 2.93Å; R135-E144 PolarHBondContact O-N 2.81Å; E144-V146 HydrophobicContact CB-CG1 4.17Å; E144-V146 HydrophobicContact CG-CG1 3.9Å; E144-V146 PolarHBondContact O-N 2.98Å
145	D	94.8	Very high	94.2	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	106.9	171.1	-166.9	-32.8	0	0	0	108.4	Y134 T147	Y134-D145 HydrophobicContact CD1-CB 3.98Å; Y134-D145 HydrophobicContact CE1-CB 3.72Å; Y134-D145 WeakPolarHBondContact CE1-OD2 3.47Å; Y134-D145 PolarHBondContact OH-OD2 3.48Å; D145-T147 VanDerWaalsContact OD1-CB 3.25Å; D145-T147 WeakPolarHBondContact OD1-CB 3.44Å; D145-T147 PolarHBondContact OD1-N 3.31Å; D145-T147 PolarHBondContact OD1-OG1 3.4Å
146	V	95.7	Very high	93.8	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.042	23%	0.234	C	C	.	.			trans	-110.3	22	-175.6	-61.1	0	0	0	0	111.9	L133 R135 E144 N148 L149	L133-V146 HydrophobicContact CB-CG2 4.24Å; L133-V146 HydrophobicContact CD2-CG2 4.02Å; L133-V146 HydrophobicContact CG-CG2 3.86Å; L133-V146 CarbonylContact O-C 3.6Å; L133-V146 WeakPolarHBondContact O-CA 3.06Å; L133-V146 WeakPolarHBondContact O-CG2 3.26Å; L133-V146 PolarHBondContact O-N 2.96Å; R135-V146 HydrophobicContact CB-CG1 4.13Å; R135-V146 HydrophobicContact CB-CG2 3.76Å; E144-V146 HydrophobicContact CB-CG1 4.17Å; E144-V146 HydrophobicContact CG-CG1 3.9Å; E144-V146 PolarHBondContact O-N 2.98Å; V146-N148 PolarHBondContact O-N 3.21Å; V146-N148 VanDerWaalsContact O-N 3.16Å; V146-N148 PolarHBondContact O-OD1 2.91Å; V146-L149 HydrophobicContact CB-CD1 3.88Å; V146-L149 HydrophobicContact CB-CG 4.07Å; V146-L149 HydrophobicContact CG1-CD1 4.37Å; V146-L149 WeakPolarHBondContact O-CB 3.33Å; V146-L149 PolarHBondContact O-N 2.72Å
147	T	93.9	Very high	93.2	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.025	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-58.1	-26.9	178.5	-53.2	0	0	0	0	112.8	S131 K132 L133 D145 L149 I150 D152	S131-T147 WeakPolarHBondContact O-CG2 3.48Å; K132-T147 VanDerWaalsContact CA-OG1 3.25Å; K132-T147 WeakPolarHBondContact CA-OG1 3.32Å; K132-T147 WeakPolarHBondContact CB-OG1 3.39Å; L133-T147 PolarHBondContact N-OG1 2.76Å; L133-T147 PolarHBondContact O-N 2.72Å; D145-T147 VanDerWaalsContact OD1-CB 3.25Å; D145-T147 WeakPolarHBondContact OD1-CB 3.44Å; D145-T147 PolarHBondContact OD1-N 3.31Å; D145-T147 PolarHBondContact OD1-OG1 3.4Å; T147-L149 VanDerWaalsContact C-N 3.27Å; T147-L149 PolarHBondContact O-N 3.45Å; T147-I150 HydrophobicContact CG2-CG1 4.45Å; T147-I150 WeakPolarHBondContact O-CG1 3.06Å; T147-I150 PolarHBondContact O-N 2.8Å; T147-D152 PolarHBondContact O-N 3.07Å; T147-D152 VanDerWaalsContact O-N 3.16Å
148	N	94.3	Very high	92.8	Very high	104 Å²	104	49.6 Å²	49.6	56%	0.556	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-62.8	-27.5	172.4	63.7	-10.3	0	0	0	113.7	V146 I150 N151	V146-N148 PolarHBondContact O-N 3.21Å; V146-N148 VanDerWaalsContact O-N 3.16Å; V146-N148 PolarHBondContact O-OD1 2.91Å; N148-I150 PolarHBondContact O-N 2.81Å; N148-N151 PolarHBondContact O-N 3.43Å
149	L	95.3	Very high	92.6	Very high	51 Å²	51	48.1 Å²	48.1	27%	0.267	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-69.4	-23.5	177.7	-57.5	-173.8	0	0	0	112.4	V146 T147 K193 F195	V146-L149 HydrophobicContact CB-CD1 3.88Å; V146-L149 HydrophobicContact CB-CG 4.07Å; V146-L149 HydrophobicContact CG1-CD1 4.37Å; V146-L149 WeakPolarHBondContact O-CB 3.33Å; V146-L149 PolarHBondContact O-N 2.72Å; T147-L149 VanDerWaalsContact C-N 3.27Å; T147-L149 PolarHBondContact O-N 3.45Å; L149-K193 WeakPolarHBondContact CD1-O 3.03Å; L149-F195 HydrophobicContact CB-CB 4.36Å; L149-F195 HydrophobicContact CB-CD2 3.94Å; L149-F195 HydrophobicContact CD1-CD2 4.08Å
150	I	93.6	Very high	92.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-98.3	14.9	171.6	61.4	171.2	0	0	0	112.5	L133 T147 N148 D152 T153 I155 L173 F186	L133-I150 HydrophobicContact CB-CD1 4.15Å; L133-I150 HydrophobicContact CD2-CG2 4.18Å; T147-I150 HydrophobicContact CG2-CG1 4.45Å; T147-I150 WeakPolarHBondContact O-CG1 3.06Å; T147-I150 PolarHBondContact O-N 2.8Å; N148-I150 PolarHBondContact O-N 2.81Å; I150-D152 PolarHBondContact O-N 2.03Å; I150-T153 WeakPolarHBondContact O-CB 2.75Å; I150-T153 PolarHBondContact O-N 2.98Å; I150-T153 PolarHBondContact O-OG1 3.11Å; I150-I155 HydrophobicContact CD1-CD1 3.93Å; I150-I155 HydrophobicContact CD1-CG1 3.77Å; I150-L173 HydrophobicContact CG2-CD1 3.98Å; I150-F186 HydrophobicContact CB-CD1 4.06Å; I150-F186 HydrophobicContact CB-CD2 4.41Å; I150-F186 HydrophobicContact CB-CE1 4.06Å; I150-F186 HydrophobicContact CB-CE2 4.42Å; I150-F186 HydrophobicContact CB-CG 4.24Å; I150-F186 HydrophobicContact CB-CZ 4.26Å; I150-F186 HydrophobicContact CG2-CB 4.11Å; I150-F186 HydrophobicContact CG2-CD1 3.95Å; I150-F186 HydrophobicContact CG2-CD2 4.33Å; I150-F186 HydrophobicContact CG2-CE1 4.47Å; I150-F186 HydrophobicContact CG2-CG 3.88Å; I150-F186 WeakPolarHBondContact O-CE1 3.41Å; I150-F186 VanDerWaalsContact O-CZ 3.24Å; I150-F186 WeakPolarHBondContact O-CZ 3.34Å
151	N	91.3	Very high	92.4	Very high	96 Å²	96	47.7 Å²	47.7	51%	0.513	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.7	-177	-56.1	-51.2	0	0	0	113.3	N148 T153	N148-N151 PolarHBondContact O-N 3.43Å; N151-T153 PolarHBondContact O-N 3.44Å; N151-T153 VanDerWaalsContact O-N 3.07Å
152	D	88.8	Confident	92.4	Very high	111 Å²	111	46.2 Å²	46.2	59%	0.594	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	23.9	-177.6	-52.4	-84.6	0	0	0	114.1	T147 I150	T147-D152 PolarHBondContact O-N 3.07Å; T147-D152 VanDerWaalsContact O-N 3.16Å; I150-D152 PolarHBondContact O-N 2.03Å
153	T	89.4	Confident	92.4	Very high	23 Å²	23	44.8 Å²	44.8	14%	0.141	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-76.4	137.6	-178.6	-52	0	0	0	0	110.9	I150 N151 I155 A175 F186	I150-T153 WeakPolarHBondContact O-CB 2.75Å; I150-T153 PolarHBondContact O-N 2.98Å; I150-T153 PolarHBondContact O-OG1 3.11Å; N151-T153 PolarHBondContact O-N 3.44Å; N151-T153 VanDerWaalsContact O-N 3.07Å; T153-I155 PolarHBondContact O-N 2.91Å; T153-A175 HydrophobicContact CG2-CB 3.84Å; T153-F186 HydrophobicContact CG2-CE2 4Å; T153-F186 HydrophobicContact CG2-CZ 4.21Å; T153-F186 WeakPolarHBondContact OG1-CZ 3.44Å
154	F	89.5	Confident	92.4	Very high	37 Å²	37	44.4 Å²	44.4	16%	0.162	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63.7	126.5	172	-178.2	-104.7	0	0	0	111.3	S131 A175	S131-F154 WeakPolarHBondContact OG-CA 3.25Å; S131-F154 WeakPolarHBondContact OG-CD2 3.47Å; F154-A175 WeakPolarHBondContact O-CB 3.23Å
155	I	91.3	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-98.2	130.3	176.9	-53.5	-53.6	0	0	0	108.8	L116 S131 I150 T153 A157 L173 T174 A175 F186	L116-I155 HydrophobicContact CD1-CB 4.01Å; L116-I155 HydrophobicContact CD1-CG1 3.92Å; L116-I155 HydrophobicContact CD1-CG2 4.35Å; L116-I155 HydrophobicContact CD2-CB 4.12Å; L116-I155 HydrophobicContact CD2-CG2 3.69Å; S131-I155 PolarHBondContact OG-N 2.77Å; I150-I155 HydrophobicContact CD1-CD1 3.93Å; I150-I155 HydrophobicContact CD1-CG1 3.77Å; T153-I155 PolarHBondContact O-N 2.91Å; I155-A157 PolarHBondContact O-N 2.83Å; I155-A157 VanDerWaalsContact O-N 3.13Å; I155-L173 HydrophobicContact CD1-CB 4.2Å; I155-L173 HydrophobicContact CG2-CB 4.16Å; I155-T174 WeakPolarHBondContact CG2-O 3.14Å; I155-A175 HydrophobicContact CD1-CB 4.14Å; I155-F186 HydrophobicContact CD1-CD2 4.06Å; I155-F186 HydrophobicContact CD1-CE2 4.25Å
156	S	89.7	Confident	92	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.042	24%	0.242	C	C	.	.			trans	-71.1	102.8	176.2	-94.3	0	0	0	0	110.2	E158 F159 T174	S156-E158 WeakPolarHBondContact CB-OE1 3.32Å; S156-E158 PolarHBondContact O-N 3.19Å; S156-E158 VanDerWaalsContact O-N 3.15Å; S156-E158 PolarHBondContact OG-OE1 3.34Å; S156-F159 VanDerWaalsContact CB-CD2 3.49Å; S156-F159 PolarHBondContact O-N 2.82Å; S156-F159 VanDerWaalsContact O-N 3.15Å; S156-T174 PolarHBondContact N-O 2.76Å
157	A	85	Confident	91.7	Very high	43 Å²	43	48.7 Å²	48.7	36%	0.355	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-59.4	-25.5	-177.1	0	0	0	0	0	113.8	T118 I155 F159 G160	T118-A157 HydrophobicContact CG2-CB 4.14Å; I155-A157 PolarHBondContact O-N 2.83Å; I155-A157 VanDerWaalsContact O-N 3.13Å; A157-F159 PolarHBondContact O-N 2.91Å; A157-G160 PolarHBondContact O-N 2.86Å
158	E	87.4	Confident	91.7	Very high	143 Å²	143	50 Å²	50	67%	0.668	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-57.7	-29	176	70.6	-143.6	142	0	0	113.8	S156	S156-E158 WeakPolarHBondContact CB-OE1 3.32Å; S156-E158 PolarHBondContact O-N 3.19Å; S156-E158 VanDerWaalsContact O-N 3.15Å; S156-E158 PolarHBondContact OG-OE1 3.34Å
159	F	91.3	Very high	91.7	Very high	13 Å²	13	45 Å²	45	6%	0.057	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-92.5	-3.6	175.8	-54.5	-65.2	0	0	0	113.2	S156 A157 T174 Y183 P204 Q207	S156-F159 VanDerWaalsContact CB-CD2 3.49Å; S156-F159 PolarHBondContact O-N 2.82Å; S156-F159 VanDerWaalsContact O-N 3.15Å; A157-F159 PolarHBondContact O-N 2.91Å; F159-T174 HydrophobicContact CD2-CG2 3.45Å; F159-T174 VanDerWaalsContact CD2-CG2 3.45Å; F159-T174 HydrophobicContact CE2-CG2 3.76Å; F159-T174 HydrophobicContact CG-CG2 4.09Å; F159-Y183 HydrophobicContact CE2-CD1 4.48Å; F159-Y183 HydrophobicContact CE2-CE1 4.02Å; F159-Y183 HydrophobicContact CZ-CE1 4.42Å; F159-P204 HydrophobicContact CE1-CB 4.28Å; F159-P204 HydrophobicContact CE1-CG 4.22Å; F159-P204 HydrophobicContact CE2-CG 4.37Å; F159-P204 HydrophobicContact CZ-CB 4.43Å; F159-P204 HydrophobicContact CZ-CG 3.91Å; F159-Q207 WeakPolarHBondContact O-CG 3.23Å; F159-Q207 PolarHBondContact O-NE2 3.49Å
160	G	91.6	Very high	91.8	Very high	14 Å²	14	43.1 Å²	43.1	14%	0.144	23%	0.234	C	C	.	.			trans	55.7	-147.8	-179.4	0	0	0	0	0	114.6	A157	A157-G160 PolarHBondContact O-N 2.86Å
161	I	95.3	Very high	92	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.097	23%	0.234	C	C	.	.			trans	-113.8	110.2	173.6	-53.5	175.9	0	0	0	107.5	A104 L114 L116 I163 V171 L173	A104-I161 HydrophobicContact CB-CB 3.9Å; A104-I161 HydrophobicContact CB-CD1 3.85Å; A104-I161 HydrophobicContact CB-CG1 4.45Å; A104-I161 HydrophobicContact CB-CG2 3.9Å; L114-I161 HydrophobicContact CB-CD1 4.2Å; L114-I161 HydrophobicContact CD1-CG2 4.35Å; L116-I161 HydrophobicContact CB-CD1 3.82Å; L116-I161 HydrophobicContact CB-CG1 4.23Å; L116-I161 HydrophobicContact CD2-CG1 4.24Å; I161-I163 HydrophobicContact CG2-CD1 3.64Å; I161-I163 HydrophobicContact CG2-CG1 4.32Å; I161-I163 PolarHBondContact O-N 3.42Å; I161-V171 HydrophobicContact CG2-CG1 3.7Å; I161-L173 HydrophobicContact CB-CD2 4.15Å; I161-L173 HydrophobicContact CG1-CD2 3.85Å; I161-L173 HydrophobicContact CG2-CD2 3.87Å
162	A	96.4	Very high	92.3	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	98.6	-176.2	0	0	0	0	0	110.8	V171 I172 Q207 Y210	A162-V171 WeakPolarHBondContact O-CA 3.07Å; A162-I172 HydrophobicContact CB-CB 4.13Å; A162-I172 PolarHBondContact N-O 2.92Å; A162-I172 PolarHBondContact O-N 3.41Å; A162-Q207 HydrophobicContact CB-CG 3.69Å; A162-Y210 HydrophobicContact CB-CE2 4.16Å; A162-Y210 WeakPolarHBondContact O-CE2 3.45Å; A162-Y210 PolarHBondContact O-OH 3.38Å
163	I	96.2	Very high	92.7	Very high	50 Å²	50	33.3 Å²	33.3	26%	0.256	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.9	179.4	-56	-56.7	0	0	0	111	A104 V106 I161 V171 Y210	A104-I163 HydrophobicContact CB-CD1 3.98Å; A104-I163 HydrophobicContact CB-CG1 3.89Å; V106-I163 HydrophobicContact CG1-CD1 4.44Å; V106-I163 HydrophobicContact CG2-CD1 3.9Å; I161-I163 HydrophobicContact CG2-CD1 3.64Å; I161-I163 HydrophobicContact CG2-CG1 4.32Å; I161-I163 PolarHBondContact O-N 3.42Å; I163-V171 HydrophobicContact CD1-CB 4.47Å; I163-V171 HydrophobicContact CD1-CG1 4.14Å; I163-V171 HydrophobicContact CD1-CG2 3.92Å; I163-Y210 VanDerWaalsContact C-CE2 3.4Å; I163-Y210 WeakPolarHBondContact O-CD2 3.47Å; I163-Y210 VanDerWaalsContact O-CE2 3.29Å; I163-Y210 WeakPolarHBondContact O-CE2 3.44Å
164	G	94.2	Very high	93	Very high	4 Å²	4	32.5 Å²	32.5	4%	0.041	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-75.9	153.2	175.2	0	0	0	0	0	112.9	S168 K170 Y210	G164-S168 VanDerWaalsContact C-OG 3.27Å; G164-S168 PolarHBondContact O-OG 2.74Å; G164-K170 PolarHBondContact N-O 2.97Å; G164-Y210 VanDerWaalsContact CA-CZ 3.4Å; G164-Y210 VanDerWaalsContact N-CZ 3.33Å; G164-Y210 PolarHBondContact N-OH 3.22Å
165	P	92.6	Very high	93.1	Very high	40 Å²	40	30.7 Å²	30.7	26%	0.26	17%	0.168	S	C	.	.	S	Bend	trans	-62	155.5	-175.1	24.9	-34.9	0	0	0	113.4	S168	P165-S168 WeakPolarHBondContact O-CB 3.48Å; P165-S168 PolarHBondContact O-N 2.74Å; P165-S168 PolarHBondContact O-OG 2.74Å
166	E	88.4	Confident	92.8	Very high	179 Å²	179	34.4 Å²	34.4	84%	0.836	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	-138.4	178.9	-54.5	-176	163.4	0	0	112.8	S168	E166-S168 VanDerWaalsContact C-N 3.29Å; E166-S168 PolarHBondContact O-N 2.9Å
167	N	91.3	Very high	92.4	Very high	81 Å²	81	36.3 Å²	36.3	43%	0.433	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	32.8	176.8	-88.1	-41.1	0	0	0	112.8	G107 D108 G169	G107-N167 WeakPolarHBondContact CA-OD1 3.02Å; D108-N167 PolarHBondContact N-OD1 2.9Å; D108-N167 PolarHBondContact O-ND2 2.9Å; D108-N167 PolarHBondContact O-OD1 3.35Å; N167-G169 PolarHBondContact O-N 2.8Å
168	S	93.1	Very high	91.6	Very high	31 Å²	31	39.6 Å²	39.6	22%	0.217	22%	0.215	C	C	.	.			trans	-69.1	-13.9	179.8	64.5	0	0	0	0	114.8	G164 P165 E166 K170 S215	G164-S168 VanDerWaalsContact C-OG 3.27Å; G164-S168 PolarHBondContact O-OG 2.74Å; P165-S168 WeakPolarHBondContact O-CB 3.48Å; P165-S168 PolarHBondContact O-N 2.74Å; P165-S168 PolarHBondContact O-OG 2.74Å; E166-S168 VanDerWaalsContact C-N 3.29Å; E166-S168 PolarHBondContact O-N 2.9Å; S168-K170 PolarHBondContact O-N 2.84Å; S168-S215 VanDerWaalsContact CB-OG 3.31Å; S168-S215 WeakPolarHBondContact CB-OG 3.47Å
169	G	93.8	Very high	90.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	23%	0.229	C	C	.	.			trans	64.1	18.3	176	0	0	0	0	0	114.8	N167 R189 D190 F191	N167-G169 PolarHBondContact O-N 2.8Å; G169-R189 CarbonylContact O-C 3.58Å; G169-D190 PolarHBondContact O-N 2.62Å; G169-F191 VanDerWaalsContact CA-CD1 3.43Å; G169-F191 WeakPolarHBondContact O-CA 3.4Å; G169-F191 PolarHBondContact O-N 2.97Å
170	K	97	Very high	89	Confident	11 Å²	11	38.7 Å²	38.7	5%	0.048	25%	0.248	C	C	.	.			trans	-95.9	140.7	-175.8	-76.1	164.7	-176	172.7	0	112.2	G164 S168 S188 Y210 S215 E216 F233	G164-K170 PolarHBondContact N-O 2.97Å; S168-K170 PolarHBondContact O-N 2.84Å; K170-S188 WeakPolarHBondContact CA-O 3.43Å; K170-Y210 HydrophobicContact CB-CE1 3.85Å; K170-Y210 HydrophobicContact CD-CE1 4.3Å; K170-S215 VanDerWaalsContact CD-O 3.27Å; K170-S215 WeakPolarHBondContact CD-O 3.39Å; K170-S215 PolarHBondContact NZ-O 3.37Å; K170-S215 PolarHBondContact NZ-OG 2.68Å; K170-E216 WeakPolarHBondContact CE-OE1 3.33Å; K170-E216 IonicContact NZ-OE1 3.61Å; K170-E216 PolarHBondContact NZ-OE1 3.17Å; K170-F233 HydrophobicContact CB-CE2 3.88Å; K170-F233 HydrophobicContact CB-CZ 3.7Å; K170-F233 HydrophobicContact CD-CD2 4.04Å; K170-F233 HydrophobicContact CD-CE2 3.87Å; K170-F233 HydrophobicContact CD-CZ 4.15Å; K170-F233 HydrophobicContact CG-CE1 4.15Å; K170-F233 HydrophobicContact CG-CE2 3.94Å; K170-F233 HydrophobicContact CG-CZ 3.73Å
171	V	97.9	Very high	87.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.2	178	-173.7	0	0	0	0	108.3	V106 L114 I161 A162 I163 L173 V187 S188 F195	V106-V171 HydrophobicContact CG1-CG2 3.71Å; V106-V171 HydrophobicContact CG2-CG2 4.22Å; L114-V171 HydrophobicContact CD1-CB 4.36Å; L114-V171 HydrophobicContact CD1-CG1 3.69Å; L114-V171 HydrophobicContact CD1-CG2 3.89Å; I161-V171 HydrophobicContact CG2-CG1 3.7Å; A162-V171 WeakPolarHBondContact O-CA 3.07Å; I163-V171 HydrophobicContact CD1-CB 4.47Å; I163-V171 HydrophobicContact CD1-CG1 4.14Å; I163-V171 HydrophobicContact CD1-CG2 3.92Å; V171-L173 HydrophobicContact CG1-CG 4.42Å; V171-V187 WeakPolarHBondContact O-CA 3.41Å; V171-S188 PolarHBondContact N-O 2.86Å; V171-S188 PolarHBondContact O-N 3.26Å; V171-F195 HydrophobicContact CB-CE1 4.14Å; V171-F195 HydrophobicContact CB-CZ 4.32Å; V171-F195 HydrophobicContact CG1-CE1 4.04Å; V171-F195 HydrophobicContact CG1-CZ 4.15Å
172	I	98.1	Very high	87.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.9	169	-58.8	167.3	0	0	0	108.5	A162 I185 F186 V187 I208 Y210 L218 F233	A162-I172 HydrophobicContact CB-CB 4.13Å; A162-I172 PolarHBondContact N-O 2.92Å; A162-I172 PolarHBondContact O-N 3.41Å; I172-I185 HydrophobicContact CG2-CB 3.89Å; I172-I185 HydrophobicContact CG2-CD1 4.41Å; I172-I185 HydrophobicContact CG2-CG2 3.89Å; I172-F186 WeakPolarHBondContact CA-O 3.3Å; I172-V187 HydrophobicContact CG1-CG1 4.12Å; I172-V187 HydrophobicContact CG2-CG1 4.44Å; I172-I208 HydrophobicContact CD1-CG2 4.03Å; I172-I208 HydrophobicContact CG2-CD1 4.29Å; I172-Y210 HydrophobicContact CD1-CE1 4.43Å; I172-Y210 HydrophobicContact CD1-CE2 4.28Å; I172-L218 HydrophobicContact CD1-CD1 3.58Å; I172-L218 HydrophobicContact CD1-CD2 3.94Å; I172-L218 HydrophobicContact CD1-CG 4.42Å; I172-F233 HydrophobicContact CD1-CD2 4.42Å; I172-F233 HydrophobicContact CD1-CE2 3.72Å; I172-F233 HydrophobicContact CD1-CZ 4.29Å; I172-F233 HydrophobicContact CG1-CE2 3.76Å; I172-F233 HydrophobicContact CG1-CZ 3.8Å
173	L	97	Very high	87	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.2	170.6	-58	170.2	0	0	0	108.6	L133 I150 I155 I161 V171 I185 F186 F195	L133-L173 HydrophobicContact CD1-CD1 4.28Å; L133-L173 HydrophobicContact CD2-CD1 3.75Å; I150-L173 HydrophobicContact CG2-CD1 3.98Å; I155-L173 HydrophobicContact CD1-CB 4.2Å; I155-L173 HydrophobicContact CG2-CB 4.16Å; I161-L173 HydrophobicContact CB-CD2 4.15Å; I161-L173 HydrophobicContact CG1-CD2 3.85Å; I161-L173 HydrophobicContact CG2-CD2 3.87Å; V171-L173 HydrophobicContact CG1-CG 4.42Å; L173-I185 CarbonylContact O-C 3.57Å; L173-I185 VanDerWaalsContact O-CA 3.26Å; L173-I185 WeakPolarHBondContact O-CA 3.37Å; L173-F186 HydrophobicContact CB-CB 4.34Å; L173-F186 PolarHBondContact N-O 2.92Å; L173-F186 PolarHBondContact O-N 3.23Å; L173-F195 HydrophobicContact CD1-CE1 3.91Å; L173-F195 HydrophobicContact CD1-CZ 4.1Å; L173-F195 HydrophobicContact CG-CE1 4.27Å
174	T	95.5	Very high	86.9	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.7	-176.7	-56.6	0	0	0	0	111.4	I155 S156 F159 Y183 P204	I155-T174 WeakPolarHBondContact CG2-O 3.14Å; S156-T174 PolarHBondContact N-O 2.76Å; F159-T174 HydrophobicContact CD2-CG2 3.45Å; F159-T174 VanDerWaalsContact CD2-CG2 3.45Å; F159-T174 HydrophobicContact CE2-CG2 3.76Å; F159-T174 HydrophobicContact CG-CG2 4.09Å; T174-Y183 HydrophobicContact CG2-CD1 4.12Å; T174-P204 HydrophobicContact CG2-CG 4.08Å
175	A	92	Very high	87	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.4	-177.8	0	0	0	0	0	112.8	T153 F154 I155 Y183 R184 F186	T153-A175 HydrophobicContact CG2-CB 3.84Å; F154-A175 WeakPolarHBondContact O-CB 3.23Å; I155-A175 HydrophobicContact CD1-CB 4.14Å; A175-Y183 WeakPolarHBondContact O-CA 3.41Å; A175-R184 HydrophobicContact CB-CG 4.07Å; A175-R184 PolarHBondContact N-O 2.68Å; A175-R184 PolarHBondContact O-N 3.07Å; A175-F186 HydrophobicContact CB-CE2 4.15Å
176	E	85.8	Confident	87.2	Confident	77 Å²	77	46.7 Å²	46.7	36%	0.36	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.6	169.1	-173.6	179.4	-152.2	0	0	110.1	R127 S178 Y183	R127-E176 IonicContact NH1-OE2 2.74Å; E176-S178 PolarHBondContact O-N 3.21Å; E176-Y183 HydrophobicContact CB-CE1 4.37Å
177	I	81.3	Confident	87.7	Confident	47 Å²	47	38.4 Å²	38.4	24%	0.241	24%	0.244	C	C	.	.			trans	-83.8	105.8	179.4	-61.4	176.1	0	0	0	109.8	G179 G180 G182 R184	I177-G179 PolarHBondContact O-N 3.03Å; I177-G179 VanDerWaalsContact O-N 3.07Å; I177-G180 PolarHBondContact O-N 3.23Å; I177-G180 VanDerWaalsContact O-O 3.07Å; I177-G182 WeakPolarHBondContact CB-O 3.4Å; I177-G182 WeakPolarHBondContact CG1-O 3.29Å; I177-G182 PolarHBondContact N-O 2.65Å; I177-R184 HydrophobicContact CD1-CB 4.33Å; I177-R184 HydrophobicContact CG1-CB 4.33Å; I177-R184 HydrophobicContact CG1-CG 4.03Å
178	S	66.8	Low	88	Confident	111 Å²	111	34.6 Å²	34.6	78%	0.776	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	113.8	-177.7	-49	0	0	0	0	112.8	E176	E176-S178 PolarHBondContact O-N 3.21Å
179	G	62.8	Low	88.2	Confident	93 Å²	93	37.7 Å²	37.7	96%	0.959	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.4	14.5	174.8	0	0	0	0	0	116.3	I177	I177-G179 PolarHBondContact O-N 3.03Å; I177-G179 VanDerWaalsContact O-N 3.07Å
180	G	61.6	Low	88.3	Confident	45 Å²	45	39.8 Å²	39.8	46%	0.464	24%	0.241	S	C	.	.	S	Bend	trans	-161.3	162.2	170.3	0	0	0	0	0	113.3	I177 G182	I177-G180 PolarHBondContact O-N 3.23Å; I177-G180 VanDerWaalsContact O-O 3.07Å; G180-G182 PolarHBondContact O-N 3.44Å
181	D	65.3	Low	88.3	Confident	183 Å²	183	42 Å²	42	98%	0.979	25%	0.251	S	S	*	.	S	Bend	trans	-71.7	100.1	-179.5	-56	-45.8	0	0	0	110.8
182	G	83.6	Confident	88.1	Confident	18 Å²	18	42 Å²	42	19%	0.186	25%	0.251	C	S	.	.			trans	167.9	164.9	173.2	0	0	0	0	0	115.5	I177 G180	I177-G182 WeakPolarHBondContact CB-O 3.4Å; I177-G182 WeakPolarHBondContact CG1-O 3.29Å; I177-G182 PolarHBondContact N-O 2.65Å; G180-G182 PolarHBondContact O-N 3.44Å
183	Y	92.6	Very high	88	Confident	42 Å²	42	46.9 Å²	46.9	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	158.2	178.4	-75.2	-101	0	0	0	110.9	F159 T174 A175 E176 L200 P204	F159-Y183 HydrophobicContact CE2-CD1 4.48Å; F159-Y183 HydrophobicContact CE2-CE1 4.02Å; F159-Y183 HydrophobicContact CZ-CE1 4.42Å; T174-Y183 HydrophobicContact CG2-CD1 4.12Å; A175-Y183 WeakPolarHBondContact O-CA 3.41Å; E176-Y183 HydrophobicContact CB-CE1 4.37Å; Y183-L200 PolarHBondContact O-N 3.06Å; Y183-P204 HydrophobicContact CD1-CG 4.14Å; Y183-P204 HydrophobicContact CG-CG 4.26Å
184	R	94.2	Very high	88	Confident	55 Å²	55	50.7 Å²	50.7	21%	0.208	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.3	170.1	58.7	170.1	45.2	155.3	-1	111.4	A175 I177 F186 L198 N199	A175-R184 HydrophobicContact CB-CG 4.07Å; A175-R184 PolarHBondContact N-O 2.68Å; A175-R184 PolarHBondContact O-N 3.07Å; I177-R184 HydrophobicContact CD1-CB 4.33Å; I177-R184 HydrophobicContact CG1-CB 4.33Å; I177-R184 HydrophobicContact CG1-CG 4.03Å; R184-F186 HydrophobicContact CG-CE2 4.48Å; R184-L198 CarbonylContact C-O 3.57Å; R184-L198 VanDerWaalsContact CA-O 3.3Å; R184-L198 WeakPolarHBondContact CA-O 3.33Å; R184-L198 WeakPolarHBondContact CB-O 3.29Å; R184-N199 PolarHBondContact NE-OD1 3.49Å; R184-N199 VanDerWaalsContact NE-OD1 3.14Å; R184-N199 PolarHBondContact NH2-OD1 3.34Å
185	I	96.6	Very high	88.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.9	173.5	56.8	174.1	0	0	0	110.6	I172 L173 V187 H197 L198 L200 I208 W237	I172-I185 HydrophobicContact CG2-CB 3.89Å; I172-I185 HydrophobicContact CG2-CD1 4.41Å; I172-I185 HydrophobicContact CG2-CG2 3.89Å; L173-I185 CarbonylContact O-C 3.57Å; L173-I185 VanDerWaalsContact O-CA 3.26Å; L173-I185 WeakPolarHBondContact O-CA 3.37Å; I185-V187 HydrophobicContact CB-CG1 4.15Å; I185-V187 HydrophobicContact CD1-CG1 3.56Å; I185-V187 HydrophobicContact CG1-CG1 3.74Å; I185-H197 CarbonylContact O-C 3.4Å; I185-H197 VanDerWaalsContact O-CA 3.3Å; I185-H197 WeakPolarHBondContact O-CA 3.33Å; I185-L198 HydrophobicContact CG1-CB 3.97Å; I185-L198 PolarHBondContact N-O 2.87Å; I185-L198 PolarHBondContact O-N 3.32Å; I185-L200 HydrophobicContact CD1-CD2 4Å; I185-L200 HydrophobicContact CG1-CD2 4.09Å; I185-L200 HydrophobicContact CG2-CD1 4.01Å; I185-L200 HydrophobicContact CG2-CD2 4.18Å; I185-L200 HydrophobicContact CG2-CG 4.21Å; I185-I208 HydrophobicContact CD1-CD1 4.33Å; I185-I208 HydrophobicContact CG2-CD1 3.67Å; I185-W237 HydrophobicContact CD1-CZ2 4.35Å
186	F	97.3	Very high	88.3	Confident	1 Å²	1	55 Å²	55	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.9	165	-66.8	-93.8	0	0	0	107.8	I150 T153 I155 I172 L173 A175 R184 F195 T196 H197	I150-F186 HydrophobicContact CB-CD1 4.06Å; I150-F186 HydrophobicContact CB-CD2 4.41Å; I150-F186 HydrophobicContact CB-CE1 4.06Å; I150-F186 HydrophobicContact CB-CE2 4.42Å; I150-F186 HydrophobicContact CB-CG 4.24Å; I150-F186 HydrophobicContact CB-CZ 4.26Å; I150-F186 HydrophobicContact CG2-CB 4.11Å; I150-F186 HydrophobicContact CG2-CD1 3.95Å; I150-F186 HydrophobicContact CG2-CD2 4.33Å; I150-F186 HydrophobicContact CG2-CE1 4.47Å; I150-F186 HydrophobicContact CG2-CG 3.88Å; I150-F186 WeakPolarHBondContact O-CE1 3.41Å; I150-F186 VanDerWaalsContact O-CZ 3.24Å; I150-F186 WeakPolarHBondContact O-CZ 3.34Å; T153-F186 HydrophobicContact CG2-CE2 4Å; T153-F186 HydrophobicContact CG2-CZ 4.21Å; T153-F186 WeakPolarHBondContact OG1-CZ 3.44Å; I155-F186 HydrophobicContact CD1-CD2 4.06Å; I155-F186 HydrophobicContact CD1-CE2 4.25Å; I172-F186 WeakPolarHBondContact CA-O 3.3Å; L173-F186 HydrophobicContact CB-CB 4.34Å; L173-F186 PolarHBondContact N-O 2.92Å; L173-F186 PolarHBondContact O-N 3.23Å; A175-F186 HydrophobicContact CB-CE2 4.15Å; R184-F186 HydrophobicContact CG-CE2 4.48Å; F186-F195 HydrophobicContact CB-CB 4.38Å; F186-F195 HydrophobicContact CB-CD1 3.92Å; F186-F195 HydrophobicContact CB-CG 4.49Å; F186-T196 WeakPolarHBondContact CA-O 3.49Å; F186-H197 HydrophobicContact CD1-CB 3.85Å; F186-H197 HydrophobicContact CE1-CB 3.71Å; F186-H197 HydrophobicContact CZ-CB 4.27Å
187	V	97.6	Very high	88.7	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	-174.9	-46.5	0	0	0	0	111.1	V171 I172 I185 F195 T196 L198 F233	V171-V187 WeakPolarHBondContact O-CA 3.41Å; I172-V187 HydrophobicContact CG1-CG1 4.12Å; I172-V187 HydrophobicContact CG2-CG1 4.44Å; I185-V187 HydrophobicContact CB-CG1 4.15Å; I185-V187 HydrophobicContact CD1-CG1 3.56Å; I185-V187 HydrophobicContact CG1-CG1 3.74Å; V187-F195 WeakPolarHBondContact O-CA 3.3Å; V187-T196 WeakPolarHBondContact CG2-OG1 3.37Å; V187-T196 PolarHBondContact N-O 2.84Å; V187-T196 PolarHBondContact O-N 2.94Å; V187-T196 PolarHBondContact O-OG1 3.43Å; V187-L198 HydrophobicContact CG1-CD1 4.13Å; V187-L198 HydrophobicContact CG2-CD1 3.76Å; V187-L198 HydrophobicContact CG2-CG 4.49Å; V187-F233 HydrophobicContact CB-CD1 4.16Å; V187-F233 HydrophobicContact CB-CE1 3.57Å; V187-F233 HydrophobicContact CB-CZ 4.04Å; V187-F233 HydrophobicContact CG1-CE1 4.49Å; V187-F233 HydrophobicContact CG2-CD1 4.09Å; V187-F233 HydrophobicContact CG2-CE1 3.9Å
188	S	97.8	Very high	89.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.2	171.9	167.1	0	0	0	0	110	K170 V171 D190 G192 T194 F233	K170-S188 WeakPolarHBondContact CA-O 3.43Å; V171-S188 PolarHBondContact N-O 2.86Å; V171-S188 PolarHBondContact O-N 3.26Å; S188-D190 PolarHBondContact OG-N 3.03Å; S188-D190 PolarHBondContact OG-OD1 3.17Å; S188-G192 VanDerWaalsContact OG-CA 3.26Å; S188-G192 WeakPolarHBondContact OG-CA 3.28Å; S188-G192 PolarHBondContact OG-N 3.09Å; S188-T194 VanDerWaalsContact CA-O 3.3Å; S188-T194 WeakPolarHBondContact CA-O 3.49Å; S188-T194 WeakPolarHBondContact CB-O 3.37Å; S188-T194 PolarHBondContact OG-O 3.19Å; S188-F233 WeakPolarHBondContact O-CE1 3.03Å; S188-F233 VanDerWaalsContact O-CZ 3.32Å; S188-F233 WeakPolarHBondContact O-CZ 3.38Å
189	R	96.8	Very high	90.7	Very high	95 Å²	95	54.7 Å²	54.7	36%	0.358	31%	0.309	S	S	.	.	S	Bend	trans	-124.1	11.8	177	-67.1	171.8	161.9	-89.4	7.2	112.1	G169 E216 D232 F233	G169-R189 CarbonylContact O-C 3.58Å; R189-E216 IonicContact CZ-OE1 3.79Å; R189-E216 IonicContact CZ-OE2 3.88Å; R189-E216 VanDerWaalsContact CZ-OE2 3.3Å; R189-E216 VanDerWaalsContact NH1-CD 3.3Å; R189-E216 IonicContact NH1-OE1 3.44Å; R189-E216 PolarHBondContact NH1-OE1 2.81Å; R189-E216 IonicContact NH1-OE2 2.72Å; R189-E216 PolarHBondContact NH1-OE2 2.03Å; R189-E216 IonicContact NH2-OE1 3.98Å; R189-E216 IonicContact NH2-OE2 3.04Å; R189-E216 PolarHBondContact NH2-OE2 3.34Å; R189-D232 PolarHBondContact NH2-O 2.95Å; R189-F233 HydrophobicContact CG-CD1 3.69Å; R189-F233 HydrophobicContact CG-CE1 3.61Å
190	D	96.4	Very high	92.3	Very high	45 Å²	45	51 Å²	51	24%	0.241	27%	0.268	C	S	.	.	S	Bend	trans	-143.8	38	-163.1	62.5	-3.9	0	0	0	112.1	G169 S188 G192 K193 T194	G169-D190 PolarHBondContact O-N 2.62Å; S188-D190 PolarHBondContact OG-N 3.03Å; S188-D190 PolarHBondContact OG-OD1 3.17Å; D190-G192 VanDerWaalsContact C-N 3.3Å; D190-G192 PolarHBondContact O-N 2.92Å; D190-K193 HydrophobicContact CB-CB 4.38Å; D190-K193 WeakPolarHBondContact O-CB 3.47Å; D190-K193 VanDerWaalsContact O-CG 3.29Å; D190-K193 WeakPolarHBondContact O-CG 3.02Å; D190-K193 PolarHBondContact O-N 2.04Å; D190-K193 PolarHBondContact OD1-N 3.05Å; D190-K193 VanDerWaalsContact OD1-N 3.14Å; D190-T194 VanDerWaalsContact CG-N 3.33Å; D190-T194 PolarHBondContact OD1-N 2.92Å; D190-T194 WeakPolarHBondContact OD2-CB 3.45Å; D190-T194 WeakPolarHBondContact OD2-CG2 3.26Å; D190-T194 PolarHBondContact OD2-N 2.84Å; D190-T194 PolarHBondContact OD2-OG1 2.66Å
191	F	96.6	Very high	93.8	Very high	59 Å²	59	52.8 Å²	52.8	26%	0.259	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	36.1	179	-52.6	-95.1	0	0	0	112.9	V106 T110 V112 R135 G169	V106-F191 HydrophobicContact CG1-CB 4.33Å; V106-F191 HydrophobicContact CG1-CD1 4.07Å; V106-F191 WeakPolarHBondContact O-CD1 3.37Å; T110-F191 HydrophobicContact CG2-CD1 3.95Å; T110-F191 HydrophobicContact CG2-CE1 3.68Å; V112-F191 HydrophobicContact CG1-CB 4.39Å; V112-F191 WeakPolarHBondContact CG1-O 3.23Å; V112-F191 HydrophobicContact CG2-CB 4.26Å; R135-F191 VanDerWaalsContact CZ-O 3.24Å; R135-F191 PolarHBondContact NE-O 3.44Å; R135-F191 PolarHBondContact NH2-O 2.93Å; G169-F191 VanDerWaalsContact CA-CD1 3.43Å; G169-F191 WeakPolarHBondContact O-CA 3.4Å; G169-F191 PolarHBondContact O-N 2.97Å
192	G	95.4	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	12.2	-179.6	0	0	0	0	0	115.3	R135 S188 D190 F195	R135-G192 VanDerWaalsContact CD-O 3.27Å; R135-G192 WeakPolarHBondContact CD-O 3.47Å; R135-G192 PolarHBondContact NE-O 2.98Å; S188-G192 VanDerWaalsContact OG-CA 3.26Å; S188-G192 WeakPolarHBondContact OG-CA 3.28Å; S188-G192 PolarHBondContact OG-N 3.09Å; D190-G192 VanDerWaalsContact C-N 3.3Å; D190-G192 PolarHBondContact O-N 2.92Å; G192-F195 WeakPolarHBondContact O-CE2 3.33Å
193	K	96.1	Very high	95.6	Very high	103 Å²	103	46 Å²	46	45%	0.448	23%	0.233	S	C	.	.	S	Bend	trans	-73.8	-34.8	179.3	-70.3	-175.9	-175.6	-144.8	0	113	E137 L149 D190	E137-K193 VanDerWaalsContact CD-NZ 3.28Å; E137-K193 WeakPolarHBondContact OE1-CE 3.29Å; E137-K193 IonicContact OE1-NZ 3.6Å; E137-K193 PolarHBondContact OE1-NZ 3.5Å; E137-K193 IonicContact OE2-NZ 2.85Å; E137-K193 PolarHBondContact OE2-NZ 3.49Å; L149-K193 WeakPolarHBondContact CD1-O 3.03Å; D190-K193 HydrophobicContact CB-CB 4.38Å; D190-K193 WeakPolarHBondContact O-CB 3.47Å; D190-K193 VanDerWaalsContact O-CG 3.29Å; D190-K193 WeakPolarHBondContact O-CG 3.02Å; D190-K193 PolarHBondContact O-N 2.04Å; D190-K193 PolarHBondContact OD1-N 3.05Å; D190-K193 VanDerWaalsContact OD1-N 3.14Å
194	T	96.9	Very high	95.7	Very high	79 Å²	79	44.1 Å²	44.1	49%	0.485	23%	0.226	S	C	.	.			trans	-135.3	141.1	172.3	66.6	0	0	0	0	110.5	S188 D190	S188-T194 VanDerWaalsContact CA-O 3.3Å; S188-T194 WeakPolarHBondContact CA-O 3.49Å; S188-T194 WeakPolarHBondContact CB-O 3.37Å; S188-T194 PolarHBondContact OG-O 3.19Å; D190-T194 VanDerWaalsContact CG-N 3.33Å; D190-T194 PolarHBondContact OD1-N 2.92Å; D190-T194 WeakPolarHBondContact OD2-CB 3.45Å; D190-T194 WeakPolarHBondContact OD2-CG2 3.26Å; D190-T194 PolarHBondContact OD2-N 2.84Å; D190-T194 PolarHBondContact OD2-OG1 2.66Å
195	F	97.3	Very high	95.7	Very high	21 Å²	21	46.6 Å²	46.6	9%	0.092	24%	0.241	C	C	.	.			trans	-116.7	142.7	173.9	-75.5	-88.7	0	0	0	110.1	L114 L133 L149 V171 L173 F186 V187 G192	L114-F195 HydrophobicContact CD1-CZ 4.42Å; L133-F195 HydrophobicContact CD2-CD2 4.48Å; L133-F195 HydrophobicContact CD2-CE2 3.77Å; L133-F195 HydrophobicContact CD2-CZ 4Å; L149-F195 HydrophobicContact CB-CB 4.36Å; L149-F195 HydrophobicContact CB-CD2 3.94Å; L149-F195 HydrophobicContact CD1-CD2 4.08Å; V171-F195 HydrophobicContact CB-CE1 4.14Å; V171-F195 HydrophobicContact CB-CZ 4.32Å; V171-F195 HydrophobicContact CG1-CE1 4.04Å; V171-F195 HydrophobicContact CG1-CZ 4.15Å; L173-F195 HydrophobicContact CD1-CE1 3.91Å; L173-F195 HydrophobicContact CD1-CZ 4.1Å; L173-F195 HydrophobicContact CG-CE1 4.27Å; F186-F195 HydrophobicContact CB-CB 4.38Å; F186-F195 HydrophobicContact CB-CD1 3.92Å; F186-F195 HydrophobicContact CB-CG 4.49Å; V187-F195 WeakPolarHBondContact O-CA 3.3Å; G192-F195 WeakPolarHBondContact O-CE2 3.33Å
196	T	96.5	Very high	95.5	Very high	75 Å²	75	50 Å²	50	46%	0.46	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.7	172.5	54.4	0	0	0	0	109.1	F186 V187	F186-T196 WeakPolarHBondContact CA-O 3.49Å; V187-T196 WeakPolarHBondContact CG2-OG1 3.37Å; V187-T196 PolarHBondContact N-O 2.84Å; V187-T196 PolarHBondContact O-N 2.94Å; V187-T196 PolarHBondContact O-OG1 3.43Å
197	H	94	Very high	95.4	Very high	93 Å²	93	54.1 Å²	54.1	43%	0.431	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.2	-177.5	63.6	-95.5	0	0	0	111.8	I185 F186	I185-H197 CarbonylContact O-C 3.4Å; I185-H197 VanDerWaalsContact O-CA 3.3Å; I185-H197 WeakPolarHBondContact O-CA 3.33Å; F186-H197 HydrophobicContact CD1-CB 3.85Å; F186-H197 HydrophobicContact CE1-CB 3.71Å; F186-H197 HydrophobicContact CZ-CB 4.27Å
198	L	95.3	Very high	95.4	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.204	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.1	178.9	-56.7	168.7	0	0	0	107.7	R184 I185 V187 G234 R235	R184-L198 CarbonylContact C-O 3.57Å; R184-L198 VanDerWaalsContact CA-O 3.3Å; R184-L198 WeakPolarHBondContact CA-O 3.33Å; R184-L198 WeakPolarHBondContact CB-O 3.29Å; I185-L198 HydrophobicContact CG1-CB 3.97Å; I185-L198 PolarHBondContact N-O 2.87Å; I185-L198 PolarHBondContact O-N 3.32Å; V187-L198 HydrophobicContact CG1-CD1 4.13Å; V187-L198 HydrophobicContact CG2-CD1 3.76Å; V187-L198 HydrophobicContact CG2-CG 4.49Å; L198-G234 WeakPolarHBondContact CD1-O 3.09Å; L198-R235 HydrophobicContact CD1-CG 3.93Å; L198-R235 HydrophobicContact CD2-CG 4.29Å
199	N	94.4	Very high	95.3	Very high	97 Å²	97	55.7 Å²	55.7	52%	0.519	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.6	175	-57.2	-39.6	0	0	0	109.1	R184	R184-N199 PolarHBondContact NE-OD1 3.49Å; R184-N199 VanDerWaalsContact NE-OD1 3.14Å; R184-N199 PolarHBondContact NH2-OD1 3.34Å
200	L	94.9	Very high	95.3	Very high	16 Å²	16	52.1 Å²	52.1	8%	0.084	28%	0.275	C	S	.	.			trans	-83.8	143	177.1	-62.7	-179.5	0	0	0	110.6	Y183 I185 F202 P204 W237	Y183-L200 PolarHBondContact O-N 3.06Å; I185-L200 HydrophobicContact CD1-CD2 4Å; I185-L200 HydrophobicContact CG1-CD2 4.09Å; I185-L200 HydrophobicContact CG2-CD1 4.01Å; I185-L200 HydrophobicContact CG2-CD2 4.18Å; I185-L200 HydrophobicContact CG2-CG 4.21Å; L200-F202 HydrophobicContact CB-CE1 4.49Å; L200-F202 HydrophobicContact CB-CZ 4.44Å; L200-F202 WeakPolarHBondContact CB-O 3.48Å; L200-F202 HydrophobicContact CD1-CE2 3.91Å; L200-F202 HydrophobicContact CD1-CZ 4.16Å; L200-F202 HydrophobicContact CD2-CE1 4.36Å; L200-F202 HydrophobicContact CD2-CZ 3.97Å; L200-F202 HydrophobicContact CG-CZ 4.43Å; L200-F202 PolarHBondContact O-N 3.43Å; L200-P204 HydrophobicContact CD1-CG 4.09Å; L200-W237 HydrophobicContact CD2-CZ2 4.14Å
201	P	94.2	Very high	95.3	Very high	81 Å²	81	50 Å²	50	53%	0.526	26%	0.264	S	S	.	.	S	Bend	trans	-81.7	11.1	171.9	31.2	-29.8	0	0	0	113.5	W228 W237	P201-W228 HydrophobicContact CB-CH2 4.43Å; P201-W228 HydrophobicContact CG-CE3 4.44Å; P201-W228 HydrophobicContact CG-CH2 4.28Å; P201-W228 HydrophobicContact CG-CZ3 3.97Å; P201-W237 HydrophobicContact CG-CB 4.03Å; P201-W237 HydrophobicContact CG-CG 4.5Å
202	F	93.6	Very high	95.1	Very high	14 Å²	14	51 Å²	51	6%	0.061	28%	0.277	C	S	.	.	S	Bend	trans	-152.2	163.2	-177.7	57.8	-93	0	0	0	110.5	L200 P204 V220 W228 W237	L200-F202 HydrophobicContact CB-CE1 4.49Å; L200-F202 HydrophobicContact CB-CZ 4.44Å; L200-F202 WeakPolarHBondContact CB-O 3.48Å; L200-F202 HydrophobicContact CD1-CE2 3.91Å; L200-F202 HydrophobicContact CD1-CZ 4.16Å; L200-F202 HydrophobicContact CD2-CE1 4.36Å; L200-F202 HydrophobicContact CD2-CZ 3.97Å; L200-F202 HydrophobicContact CG-CZ 4.43Å; L200-F202 PolarHBondContact O-N 3.43Å; F202-P204 HydrophobicContact CE2-CB 4.27Å; F202-V220 HydrophobicContact CE2-CG1 3.42Å; F202-V220 VanDerWaalsContact CE2-CG1 3.42Å; F202-V220 HydrophobicContact CZ-CG1 3.42Å; F202-V220 VanDerWaalsContact CZ-CG1 3.42Å; F202-W228 HydrophobicContact CB-CD2 4.4Å; F202-W228 HydrophobicContact CB-CZ2 4.09Å; F202-W228 HydrophobicContact CD1-CB 3.98Å; F202-W228 AromaticContact CD1-CD1 3.72Å; F202-W228 AromaticContact CD1-CD2 3.32Å; F202-W228 HydrophobicContact CD1-CD2 3.32Å; F202-W228 AromaticContact CD1-CE2 3.58Å; F202-W228 AromaticContact CD1-CE3 3.8Å; F202-W228 HydrophobicContact CD1-CE3 3.8Å; F202-W228 AromaticContact CD1-CG 3.41Å; F202-W228 HydrophobicContact CD1-CG 3.41Å; F202-W228 VanDerWaalsContact CD1-CG 3.41Å; F202-W228 HydrophobicContact CD1-CZ2 4.2Å; F202-W228 HydrophobicContact CD1-CZ3 4.38Å; F202-W228 AromaticContact CD1-NE1 3.81Å; F202-W228 HydrophobicContact CD2-CG 4.43Å; F202-W228 HydrophobicContact CE1-CB 3.63Å; F202-W228 AromaticContact CE1-CD2 3.81Å; F202-W228 HydrophobicContact CE1-CD2 3.81Å; F202-W228 HydrophobicContact CE1-CE3 4.1Å; F202-W228 AromaticContact CE1-CG 3.62Å; F202-W228 HydrophobicContact CE1-CG 3.62Å; F202-W228 AromaticContact CG-CD1 3.68Å; F202-W228 HydrophobicContact CG-CD2 4.02Å; F202-W228 AromaticContact CG-CE2 3.89Å; F202-W228 AromaticContact CG-CG 3.88Å; F202-W228 HydrophobicContact CG-CG 3.88Å; F202-W228 AromaticContact CG-NE1 3.7Å; F202-W228 HydrophobicContact CZ-CB 3.94Å; F202-W228 HydrophobicContact CZ-CG 4.23Å; F202-W237 HydrophobicContact CE1-CB 4.17Å; F202-W237 AromaticContact CE1-CD2 3.74Å; F202-W237 HydrophobicContact CE1-CD2 3.74Å; F202-W237 AromaticContact CE1-CE3 3.97Å; F202-W237 HydrophobicContact CE1-CE3 3.97Å; F202-W237 AromaticContact CE1-CG 3.84Å; F202-W237 HydrophobicContact CE1-CG 3.84Å; F202-W237 AromaticContact CZ-CD2 4Å; F202-W237 HydrophobicContact CZ-CD2 4Å; F202-W237 HydrophobicContact CZ-CE3 4.03Å; F202-W237 HydrophobicContact CZ-CH2 4.43Å; F202-W237 HydrophobicContact CZ-CZ2 4.4Å; F202-W237 HydrophobicContact CZ-CZ3 4.26Å
203	S	93.8	Very high	94.9	Very high	46 Å²	46	56 Å²	56	32%	0.322	30%	0.3	S	S	.	.			trans	-92.9	116.5	168.7	-56.1	0	0	0	0	109.7	S222 M223	S203-S222 CarbonylContact O-C 3.5Å; S203-S222 WeakPolarHBondContact O-CA 3.33Å; S203-S222 WeakPolarHBondContact O-CB 3.34Å; S203-M223 PolarHBondContact O-N 3.13Å
204	P	94.6	Very high	94.8	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.013	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-67.6	144.6	178.3	28.7	-32.8	0	0	0	111.1	F159 T174 Y183 L200 F202 V220	F159-P204 HydrophobicContact CE1-CB 4.28Å; F159-P204 HydrophobicContact CE1-CG 4.22Å; F159-P204 HydrophobicContact CE2-CG 4.37Å; F159-P204 HydrophobicContact CZ-CB 4.43Å; F159-P204 HydrophobicContact CZ-CG 3.91Å; T174-P204 HydrophobicContact CG2-CG 4.08Å; Y183-P204 HydrophobicContact CD1-CG 4.14Å; Y183-P204 HydrophobicContact CG-CG 4.26Å; L200-P204 HydrophobicContact CD1-CG 4.09Å; F202-P204 HydrophobicContact CE2-CB 4.27Å; P204-V220 HydrophobicContact CB-CG2 4.08Å
205	M	92.7	Very high	94.7	Very high	106 Å²	106	51.3 Å²	51.3	52%	0.522	28%	0.278	S	S	.	.	S	Bend	trans	-95.1	-21.1	171.6	-179.5	175.4	174.5	0	0	112.2	L221 M223	M205-L221 PolarHBondContact N-O 2.87Å; M205-M223 VanDerWaalsContact CA-SD 3.58Å; M205-M223 HydrophobicContact CB-CG 4.38Å; M205-M223 HydrophobicContact CB-SD 3.63Å; M205-M223 HydrophobicContact CG-SD 3.74Å
206	M	93.4	Very high	94.6	Very high	73 Å²	73	53 Å²	53	36%	0.36	29%	0.287	S	S	.	.	S	Bend	trans	-145	169.3	-173.3	63	-179.7	-68.4	0	0	111.1	V220 L221 F247	M206-V220 HydrophobicContact CG-CG2 3.97Å; M206-V220 WeakPolarHBondContact O-CG2 3.22Å; M206-L221 HydrophobicContact CG-CB 4.43Å; M206-L221 HydrophobicContact SD-CB 4.09Å; M206-L221 HydrophobicContact SD-CD1 4.19Å; M206-L221 HydrophobicContact SD-CG 4.25Å; M206-F247 HydrophobicContact CE-CE1 4.06Å; M206-F247 HydrophobicContact CE-CZ 4.46Å; M206-F247 HydrophobicContact SD-CD1 4.4Å; M206-F247 HydrophobicContact SD-CE1 3.66Å
207	Q	95.3	Very high	94.6	Very high	86 Å²	86	49.7 Å²	49.7	40%	0.402	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-56.1	139.9	171.5	-173.5	-178.6	84.7	0	0	110.8	F159 A162 S209	F159-Q207 WeakPolarHBondContact O-CG 3.23Å; F159-Q207 PolarHBondContact O-NE2 3.49Å; A162-Q207 HydrophobicContact CB-CG 3.69Å; Q207-S209 PolarHBondContact O-N 3.34Å
208	I	96.8	Very high	94.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-68.8	119.4	177.1	-67.4	169.1	0	0	0	109.5	I172 I185 L218 V220 W237	I172-I208 HydrophobicContact CD1-CG2 4.03Å; I172-I208 HydrophobicContact CG2-CD1 4.29Å; I185-I208 HydrophobicContact CD1-CD1 4.33Å; I185-I208 HydrophobicContact CG2-CD1 3.67Å; I208-L218 HydrophobicContact CG2-CB 3.85Å; I208-L218 HydrophobicContact CG2-CD1 4.09Å; I208-L218 HydrophobicContact CG2-CD2 4.29Å; I208-L218 HydrophobicContact CG2-CG 4.31Å; I208-V220 HydrophobicContact CB-CB 4.49Å; I208-V220 HydrophobicContact CG1-CB 3.96Å; I208-V220 HydrophobicContact CG1-CG1 4.2Å; I208-V220 HydrophobicContact CG1-CG2 3.87Å; I208-W237 HydrophobicContact CD1-CH2 4.31Å; I208-W237 HydrophobicContact CD1-CZ2 4.24Å; I208-W237 HydrophobicContact CG2-CH2 3.94Å
209	S	96.8	Very high	94.9	Very high	38 Å²	38	43.4 Å²	43.4	27%	0.266	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.4	-173.3	-173	0	0	0	0	111.7	Q207 L218 A219 W249	Q207-S209 PolarHBondContact O-N 3.34Å; S209-L218 WeakPolarHBondContact O-CA 3.23Å; S209-A219 WeakPolarHBondContact CB-O 3.37Å; S209-A219 PolarHBondContact N-O 3.31Å; S209-A219 PolarHBondContact O-N 2.92Å; S209-W249 PolarHBondContact O-NE1 2.86Å; S209-W249 VanDerWaalsContact OG-CD1 3.27Å; S209-W249 PolarHBondContact OG-NE1 2.86Å
210	Y	96.8	Very high	95	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.078	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	141.2	171.9	-66.5	-101.5	0	0	0	111.2	A162 I163 G164 K170 I172 P212 L218 F233 W249	A162-Y210 HydrophobicContact CB-CE2 4.16Å; A162-Y210 WeakPolarHBondContact O-CE2 3.45Å; A162-Y210 PolarHBondContact O-OH 3.38Å; I163-Y210 VanDerWaalsContact C-CE2 3.4Å; I163-Y210 WeakPolarHBondContact O-CD2 3.47Å; I163-Y210 VanDerWaalsContact O-CE2 3.29Å; I163-Y210 WeakPolarHBondContact O-CE2 3.44Å; G164-Y210 VanDerWaalsContact CA-CZ 3.4Å; G164-Y210 VanDerWaalsContact N-CZ 3.33Å; G164-Y210 PolarHBondContact N-OH 3.22Å; K170-Y210 HydrophobicContact CB-CE1 3.85Å; K170-Y210 HydrophobicContact CD-CE1 4.3Å; I172-Y210 HydrophobicContact CD1-CE1 4.43Å; I172-Y210 HydrophobicContact CD1-CE2 4.28Å; Y210-P212 WeakPolarHBondContact O-CD 3.39Å; Y210-L218 HydrophobicContact CD1-CD2 3.49Å; Y210-L218 VanDerWaalsContact CD1-CD2 3.49Å; Y210-L218 HydrophobicContact CD2-CD2 4.46Å; Y210-L218 HydrophobicContact CE1-CD2 3.82Å; Y210-L218 HydrophobicContact CG-CD2 3.88Å; Y210-F233 HydrophobicContact CE1-CD2 4.31Å; Y210-F233 AromaticContact CE1-CE2 3.61Å; Y210-F233 HydrophobicContact CE1-CE2 3.61Å; Y210-W249 VanDerWaalsContact O-CD1 3.31Å; Y210-W249 PolarHBondContact O-NE1 3.14Å
211	N	95.5	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	122.3	162.8	175	-14.8	0	0	0	109.6	E213 N214 V217 W249 N253	N211-E213 PolarHBondContact O-N 2.81Å; N211-E213 PolarHBondContact OD1-N 2.79Å; N211-N214 CarbonylContact O-C 3.5Å; N211-N214 PolarHBondContact O-N 2.9Å; N211-V217 HydrophobicContact CB-CB 3.86Å; N211-V217 HydrophobicContact CB-CG1 4.23Å; N211-V217 WeakPolarHBondContact CB-O 3.12Å; N211-V217 PolarHBondContact N-O 3.14Å; N211-W249 HydrophobicContact CB-CD2 4.06Å; N211-W249 HydrophobicContact CB-CE3 3.99Å; N211-W249 HydrophobicContact CB-CH2 3.72Å; N211-W249 HydrophobicContact CB-CZ2 3.72Å; N211-W249 HydrophobicContact CB-CZ3 3.83Å; N211-N253 PolarHBondContact ND2-OD1 3.17Å
212	P	92.3	Very high	95	Very high	82 Å²	82	34.6 Å²	34.6	53%	0.532	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.6	-176.4	-27.7	35.7	0	0	0	114.9	Y210 W249	Y210-P212 WeakPolarHBondContact O-CD 3.39Å; P212-W249 HydrophobicContact CG-CB 4.25Å
213	E	90.9	Very high	94.9	Very high	103 Å²	103	40 Å²	40	48%	0.481	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-15.7	-177.9	-66.2	177.6	176.6	0	0	113.6	N211 K252 N253	N211-E213 PolarHBondContact O-N 2.81Å; N211-E213 PolarHBondContact OD1-N 2.79Å; E213-K252 PolarHBondContact OE1-N 3.39Å; E213-K252 WeakPolarHBondContact OE2-CA 3.24Å; E213-K252 PolarHBondContact OE2-N 2.64Å; E213-N253 PolarHBondContact OE2-N 3.38Å; E213-N253 VanDerWaalsContact OE2-N 3.12Å; E213-N253 PolarHBondContact OE2-ND2 2.92Å
214	N	94.1	Very high	94.7	Very high	64 Å²	64	40.8 Å²	40.8	34%	0.342	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	95.6	-177.3	-176.4	-2.7	0	0	0	111.7	N211 E216 V217	N211-N214 CarbonylContact O-C 3.5Å; N211-N214 PolarHBondContact O-N 2.9Å; N214-E216 PolarHBondContact O-N 2.94Å; N214-E216 WeakPolarHBondContact OD1-CB 3.31Å; N214-E216 PolarHBondContact OD1-N 3.19Å; N214-E216 VanDerWaalsContact OD1-N 3.08Å; N214-V217 HydrophobicContact CB-CG2 4.27Å; N214-V217 PolarHBondContact O-N 3.4Å
215	S	94.9	Very high	94.6	Very high	20 Å²	20	43 Å²	43	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-0.1	-179.4	62.3	0	0	0	0	115.7	S168 K170 V217	S168-S215 VanDerWaalsContact CB-OG 3.31Å; S168-S215 WeakPolarHBondContact CB-OG 3.47Å; K170-S215 VanDerWaalsContact CD-O 3.27Å; K170-S215 WeakPolarHBondContact CD-O 3.39Å; K170-S215 PolarHBondContact NZ-O 3.37Å; K170-S215 PolarHBondContact NZ-OG 2.68Å; S215-V217 VanDerWaalsContact C-N 3.35Å
216	E	95.7	Very high	94.6	Very high	58 Å²	58	39.9 Å²	39.9	27%	0.271	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-23.4	164.1	-63.9	-63.8	133.5	0	0	112.2	K170 R189 N214 F233	K170-E216 WeakPolarHBondContact CE-OE1 3.33Å; K170-E216 IonicContact NZ-OE1 3.61Å; K170-E216 PolarHBondContact NZ-OE1 3.17Å; R189-E216 IonicContact CZ-OE1 3.79Å; R189-E216 IonicContact CZ-OE2 3.88Å; R189-E216 VanDerWaalsContact CZ-OE2 3.3Å; R189-E216 VanDerWaalsContact NH1-CD 3.3Å; R189-E216 IonicContact NH1-OE1 3.44Å; R189-E216 PolarHBondContact NH1-OE1 2.81Å; R189-E216 IonicContact NH1-OE2 2.72Å; R189-E216 PolarHBondContact NH1-OE2 2.03Å; R189-E216 IonicContact NH2-OE1 3.98Å; R189-E216 IonicContact NH2-OE2 3.04Å; R189-E216 PolarHBondContact NH2-OE2 3.34Å; N214-E216 PolarHBondContact O-N 2.94Å; N214-E216 WeakPolarHBondContact OD1-CB 3.31Å; N214-E216 PolarHBondContact OD1-N 3.19Å; N214-E216 VanDerWaalsContact OD1-N 3.08Å; E216-F233 WeakPolarHBondContact O-CA 3.43Å; E216-F233 PolarHBondContact O-N 3.3Å
217	V	96.8	Very high	94.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.7	-173.9	-173.7	0	0	0	0	109.8	N211 N214 S215 L229 S230 W249 L279	N211-V217 HydrophobicContact CB-CB 3.86Å; N211-V217 HydrophobicContact CB-CG1 4.23Å; N211-V217 WeakPolarHBondContact CB-O 3.12Å; N211-V217 PolarHBondContact N-O 3.14Å; N214-V217 HydrophobicContact CB-CG2 4.27Å; N214-V217 PolarHBondContact O-N 3.4Å; S215-V217 VanDerWaalsContact C-N 3.35Å; V217-L229 HydrophobicContact CG1-CD1 3.96Å; V217-S230 VanDerWaalsContact CA-O 3.3Å; V217-S230 WeakPolarHBondContact CA-O 3.33Å; V217-S230 WeakPolarHBondContact CG1-O 3.13Å; V217-W249 HydrophobicContact CG1-CH2 3.61Å; V217-W249 HydrophobicContact CG1-CZ2 4.24Å; V217-W249 HydrophobicContact CG1-CZ3 4.48Å; V217-L279 HydrophobicContact CG1-CD1 3.91Å; V217-L279 HydrophobicContact CG1-CD2 3.97Å; V217-L279 HydrophobicContact CG2-CD1 4.01Å
218	L	97.8	Very high	94.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.5	-175.1	-55.3	176	0	0	0	110.5	I172 I208 S209 Y210 L229 S230 F233 W237	I172-L218 HydrophobicContact CD1-CD1 3.58Å; I172-L218 HydrophobicContact CD1-CD2 3.94Å; I172-L218 HydrophobicContact CD1-CG 4.42Å; I208-L218 HydrophobicContact CG2-CB 3.85Å; I208-L218 HydrophobicContact CG2-CD1 4.09Å; I208-L218 HydrophobicContact CG2-CD2 4.29Å; I208-L218 HydrophobicContact CG2-CG 4.31Å; S209-L218 WeakPolarHBondContact O-CA 3.23Å; Y210-L218 HydrophobicContact CD1-CD2 3.49Å; Y210-L218 VanDerWaalsContact CD1-CD2 3.49Å; Y210-L218 HydrophobicContact CD2-CD2 4.46Å; Y210-L218 HydrophobicContact CE1-CD2 3.82Å; Y210-L218 HydrophobicContact CG-CD2 3.88Å; L218-L229 CarbonylContact O-C 3.55Å; L218-L229 WeakPolarHBondContact O-CA 3.35Å; L218-L229 WeakPolarHBondContact O-CD1 3.27Å; L218-S230 PolarHBondContact N-O 3.12Å; L218-S230 PolarHBondContact O-N 3.24Å; L218-F233 HydrophobicContact CD1-CD2 3.81Å; L218-F233 HydrophobicContact CD1-CE2 4.34Å; L218-F233 HydrophobicContact CD2-CD2 4.09Å; L218-F233 HydrophobicContact CD2-CE2 4.37Å; L218-F233 HydrophobicContact CG-CD2 4.2Å; L218-W237 HydrophobicContact CB-CH2 3.8Å; L218-W237 HydrophobicContact CB-CZ3 4.28Å; L218-W237 HydrophobicContact CD1-CH2 4.25Å; L218-W237 HydrophobicContact CD1-CZ2 4.33Å
219	A	97.3	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.1	174	0	0	0	0	0	111.7	S209 L227 W228 L229 F247 W249	S209-A219 WeakPolarHBondContact CB-O 3.37Å; S209-A219 PolarHBondContact N-O 3.31Å; S209-A219 PolarHBondContact O-N 2.92Å; A219-L227 HydrophobicContact CB-CD1 4.34Å; A219-W228 VanDerWaalsContact CA-O 3.31Å; A219-W228 WeakPolarHBondContact CA-O 3.44Å; A219-L229 HydrophobicContact CB-CD1 3.99Å; A219-F247 HydrophobicContact CB-CD2 4.35Å; A219-F247 HydrophobicContact CB-CE2 3.54Å; A219-F247 HydrophobicContact CB-CZ 3.82Å; A219-W249 HydrophobicContact CB-CH2 4.22Å; A219-W249 HydrophobicContact CB-CZ2 3.4Å
220	V	96.9	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	146.7	-179.4	66	0	0	0	0	110.9	F202 P204 M206 I208 W228 W237	F202-V220 HydrophobicContact CE2-CG1 3.42Å; F202-V220 VanDerWaalsContact CE2-CG1 3.42Å; F202-V220 HydrophobicContact CZ-CG1 3.42Å; F202-V220 VanDerWaalsContact CZ-CG1 3.42Å; P204-V220 HydrophobicContact CB-CG2 4.08Å; M206-V220 HydrophobicContact CG-CG2 3.97Å; M206-V220 WeakPolarHBondContact O-CG2 3.22Å; I208-V220 HydrophobicContact CB-CB 4.49Å; I208-V220 HydrophobicContact CG1-CB 3.96Å; I208-V220 HydrophobicContact CG1-CG1 4.2Å; I208-V220 HydrophobicContact CG1-CG2 3.87Å; V220-W228 HydrophobicContact CG1-CB 4.16Å; V220-W228 PolarHBondContact N-O 2.97Å; V220-W228 PolarHBondContact O-N 3.44Å; V220-W237 HydrophobicContact CG1-CH2 4.11Å; V220-W237 HydrophobicContact CG1-CZ3 3.88Å
221	L	95.5	Very high	94.9	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.6	167.5	-69.5	169.1	0	0	0	110.5	M205 M206 E226 L227 V244 F247	M205-L221 PolarHBondContact N-O 2.87Å; M206-L221 HydrophobicContact CG-CB 4.43Å; M206-L221 HydrophobicContact SD-CB 4.09Å; M206-L221 HydrophobicContact SD-CD1 4.19Å; M206-L221 HydrophobicContact SD-CG 4.25Å; L221-E226 WeakPolarHBondContact CA-O 3.35Å; L221-L227 HydrophobicContact CD2-CB 3.98Å; L221-L227 HydrophobicContact CD2-CD1 4.16Å; L221-V244 HydrophobicContact CD2-CB 3.82Å; L221-V244 HydrophobicContact CD2-CG1 3.7Å; L221-F247 HydrophobicContact CD1-CD1 3.92Å; L221-F247 HydrophobicContact CD1-CE1 4.46Å; L221-F247 HydrophobicContact CD2-CD1 4.3Å; L221-F247 HydrophobicContact CG-CD1 3.7Å; L221-F247 HydrophobicContact CG-CE1 4.02Å
222	S	94.1	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-91.9	161.3	169.8	61.1	0	0	0	0	112.3	S203 S224 N225 E226	S203-S222 CarbonylContact O-C 3.5Å; S203-S222 WeakPolarHBondContact O-CA 3.33Å; S203-S222 WeakPolarHBondContact O-CB 3.34Å; S222-S224 WeakPolarHBondContact CB-OG 3.34Å; S222-S224 PolarHBondContact O-N 3.34Å; S222-S224 PolarHBondContact OG-OG 2.94Å; S222-N225 PolarHBondContact O-N 2.86Å; S222-E226 PolarHBondContact N-O 2.65Å; S222-E226 VanDerWaalsContact OG-CB 3.31Å; S222-E226 WeakPolarHBondContact OG-CB 3.47Å; S222-E226 PolarHBondContact OG-N 2.86Å; S222-E226 PolarHBondContact OG-O 2.74Å; S222-E226 PolarHBondContact OG-OE2 2.78Å
223	M	90.7	Very high	95.1	Very high	126 Å²	126	33.3 Å²	33.3	62%	0.621	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-12.9	172.4	-63	-61.5	-68.5	0	0	113.9	S203 M205 N225	S203-M223 PolarHBondContact O-N 3.13Å; M205-M223 VanDerWaalsContact CA-SD 3.58Å; M205-M223 HydrophobicContact CB-CG 4.38Å; M205-M223 HydrophobicContact CB-SD 3.63Å; M205-M223 HydrophobicContact CG-SD 3.74Å; M223-N225 VanDerWaalsContact C-N 3.34Å
224	S	90.4	Very high	95.4	Very high	64 Å²	64	28.5 Å²	28.5	45%	0.448	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7.4	173.5	38.7	0	0	0	0	113.8	S222 E226	S222-S224 WeakPolarHBondContact CB-OG 3.34Å; S222-S224 PolarHBondContact O-N 3.34Å; S222-S224 PolarHBondContact OG-OG 2.94Å; S224-E226 VanDerWaalsContact C-N 3.32Å; S224-E226 WeakPolarHBondContact CB-OE2 3.35Å; S224-E226 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact OG-CD 3.24Å; S224-E226 WeakPolarHBondContact OG-CG 3.41Å; S224-E226 PolarHBondContact OG-OE2 2.85Å
225	N	91.9	Very high	95.4	Very high	47 Å²	47	32.9 Å²	32.9	25%	0.251	16%	0.16	S	C	.	.	S	Bend	trans	55.7	43.3	-172.7	-65.8	-32.6	0	0	0	112.6	S222 M223 T243 V244	S222-N225 PolarHBondContact O-N 2.86Å; M223-N225 VanDerWaalsContact C-N 3.34Å; N225-T243 HydrophobicContact CB-CG2 3.76Å; N225-T243 CarbonylContact O-C 3.6Å; N225-T243 WeakPolarHBondContact O-CA 3.21Å; N225-V244 WeakPolarHBondContact CB-O 3.48Å; N225-V244 PolarHBondContact O-N 2.87Å
226	E	93.6	Very high	95.5	Very high	41 Å²	41	37.4 Å²	37.4	19%	0.192	18%	0.183	C	C	.	.			trans	-114.7	131.1	178.1	-48.3	171.2	121.9	0	0	109.5	L221 S222 S224 W228 K239	L221-E226 WeakPolarHBondContact CA-O 3.35Å; S222-E226 PolarHBondContact N-O 2.65Å; S222-E226 VanDerWaalsContact OG-CB 3.31Å; S222-E226 WeakPolarHBondContact OG-CB 3.47Å; S222-E226 PolarHBondContact OG-N 2.86Å; S222-E226 PolarHBondContact OG-O 2.74Å; S222-E226 PolarHBondContact OG-OE2 2.78Å; S224-E226 VanDerWaalsContact C-N 3.32Å; S224-E226 WeakPolarHBondContact CB-OE2 3.35Å; S224-E226 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact OG-CD 3.24Å; S224-E226 WeakPolarHBondContact OG-CG 3.41Å; S224-E226 PolarHBondContact OG-OE2 2.85Å; E226-W228 PolarHBondContact O-N 3.34Å; E226-W228 PolarHBondContact OE2-NE1 2.76Å; E226-K239 HydrophobicContact CB-CD 4.02Å; E226-K239 HydrophobicContact CB-CG 4.31Å; E226-K239 HydrophobicContact CG-CD 4.1Å; E226-K239 WeakPolarHBondContact OE1-CD 3.26Å; E226-K239 VanDerWaalsContact OE1-CE 3.3Å; E226-K239 WeakPolarHBondContact OE1-CE 3.39Å; E226-K239 IonicContact OE1-NZ 3.31Å; E226-K239 PolarHBondContact OE1-NZ 2.89Å
227	L	95.8	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.4	175.3	-179.6	55.1	0	0	0	110	A219 L221 I240 V244 F247 I255 F257	A219-L227 HydrophobicContact CB-CD1 4.34Å; L221-L227 HydrophobicContact CD2-CB 3.98Å; L221-L227 HydrophobicContact CD2-CD1 4.16Å; L227-I240 HydrophobicContact CB-CB 4.33Å; L227-I240 HydrophobicContact CD2-CD1 3.9Å; L227-I240 HydrophobicContact CG-CD1 4.07Å; L227-I240 PolarHBondContact O-N 3.11Å; L227-V244 HydrophobicContact CB-CB 4.04Å; L227-V244 HydrophobicContact CB-CG1 4.22Å; L227-V244 HydrophobicContact CB-CG2 3.78Å; L227-V244 HydrophobicContact CD2-CG1 4.35Å; L227-F247 HydrophobicContact CD1-CB 4.31Å; L227-F247 HydrophobicContact CD1-CD1 3.71Å; L227-F247 HydrophobicContact CD1-CD2 4.14Å; L227-F247 HydrophobicContact CD1-CE1 3.98Å; L227-F247 HydrophobicContact CD1-CE2 4.42Å; L227-F247 HydrophobicContact CD1-CG 3.77Å; L227-F247 HydrophobicContact CD1-CZ 4.34Å; L227-F247 HydrophobicContact CD2-CB 4Å; L227-F247 HydrophobicContact CD2-CG 4.29Å; L227-I255 HydrophobicContact CD2-CG2 4.14Å; L227-F257 HydrophobicContact CD2-CB 4.15Å; L227-F257 HydrophobicContact CD2-CD1 4.22Å; L227-F257 HydrophobicContact CD2-CG 4.15Å
228	W	97.2	Very high	95.5	Very high	33 Å²	33	39.2 Å²	39.2	13%	0.125	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.4	179.1	-70.7	89	0	0	0	110.8	P201 F202 A219 V220 E226 W237 K239	P201-W228 HydrophobicContact CB-CH2 4.43Å; P201-W228 HydrophobicContact CG-CE3 4.44Å; P201-W228 HydrophobicContact CG-CH2 4.28Å; P201-W228 HydrophobicContact CG-CZ3 3.97Å; F202-W228 HydrophobicContact CB-CD2 4.4Å; F202-W228 HydrophobicContact CB-CZ2 4.09Å; F202-W228 HydrophobicContact CD1-CB 3.98Å; F202-W228 AromaticContact CD1-CD1 3.72Å; F202-W228 AromaticContact CD1-CD2 3.32Å; F202-W228 HydrophobicContact CD1-CD2 3.32Å; F202-W228 AromaticContact CD1-CE2 3.58Å; F202-W228 AromaticContact CD1-CE3 3.8Å; F202-W228 HydrophobicContact CD1-CE3 3.8Å; F202-W228 AromaticContact CD1-CG 3.41Å; F202-W228 HydrophobicContact CD1-CG 3.41Å; F202-W228 VanDerWaalsContact CD1-CG 3.41Å; F202-W228 HydrophobicContact CD1-CZ2 4.2Å; F202-W228 HydrophobicContact CD1-CZ3 4.38Å; F202-W228 AromaticContact CD1-NE1 3.81Å; F202-W228 HydrophobicContact CD2-CG 4.43Å; F202-W228 HydrophobicContact CE1-CB 3.63Å; F202-W228 AromaticContact CE1-CD2 3.81Å; F202-W228 HydrophobicContact CE1-CD2 3.81Å; F202-W228 HydrophobicContact CE1-CE3 4.1Å; F202-W228 AromaticContact CE1-CG 3.62Å; F202-W228 HydrophobicContact CE1-CG 3.62Å; F202-W228 AromaticContact CG-CD1 3.68Å; F202-W228 HydrophobicContact CG-CD2 4.02Å; F202-W228 AromaticContact CG-CE2 3.89Å; F202-W228 AromaticContact CG-CG 3.88Å; F202-W228 HydrophobicContact CG-CG 3.88Å; F202-W228 AromaticContact CG-NE1 3.7Å; F202-W228 HydrophobicContact CZ-CB 3.94Å; F202-W228 HydrophobicContact CZ-CG 4.23Å; A219-W228 VanDerWaalsContact CA-O 3.31Å; A219-W228 WeakPolarHBondContact CA-O 3.44Å; V220-W228 HydrophobicContact CG1-CB 4.16Å; V220-W228 PolarHBondContact N-O 2.97Å; V220-W228 PolarHBondContact O-N 3.44Å; E226-W228 PolarHBondContact O-N 3.34Å; E226-W228 PolarHBondContact OE2-NE1 2.76Å; W228-W237 HydrophobicContact CB-CE3 4Å; W228-W237 HydrophobicContact CB-CZ3 4.49Å; W228-W237 HydrophobicContact CE3-CB 3.91Å; W228-W237 HydrophobicContact CZ3-CB 4.35Å; W228-K239 HydrophobicContact CD2-CB 4.08Å; W228-K239 HydrophobicContact CE3-CB 3.98Å; W228-K239 HydrophobicContact CH2-CB 4.04Å; W228-K239 HydrophobicContact CZ2-CB 4.08Å; W228-K239 HydrophobicContact CZ3-CB 3.98Å
229	L	97.3	Very high	95.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.3	-173.9	-174.4	63.8	0	0	0	110.5	V217 L218 A219 W237 K238 I240 W249 I255 L279	V217-L229 HydrophobicContact CG1-CD1 3.96Å; L218-L229 CarbonylContact O-C 3.55Å; L218-L229 WeakPolarHBondContact O-CA 3.35Å; L218-L229 WeakPolarHBondContact O-CD1 3.27Å; A219-L229 HydrophobicContact CB-CD1 3.99Å; L229-W237 WeakPolarHBondContact O-CA 3.29Å; L229-K238 HydrophobicContact CB-CG 4.28Å; L229-K238 PolarHBondContact N-O 2.86Å; L229-K238 PolarHBondContact O-N 3.03Å; L229-I240 HydrophobicContact CD2-CD1 4.29Å; L229-W249 HydrophobicContact CD1-CH2 3.86Å; L229-W249 HydrophobicContact CD1-CZ2 4.28Å; L229-I255 HydrophobicContact CD1-CD1 3.83Å; L229-I255 HydrophobicContact CD2-CD1 3.93Å; L229-L279 HydrophobicContact CD2-CB 3.83Å; L229-L279 HydrophobicContact CD2-CD2 4.38Å; L229-L279 WeakPolarHBondContact CD2-O 3.44Å
230	S	97.4	Very high	95	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.2	171.8	-179.4	0	0	0	0	110.1	V217 L218 D232 G234 N236	V217-S230 VanDerWaalsContact CA-O 3.3Å; V217-S230 WeakPolarHBondContact CA-O 3.33Å; V217-S230 WeakPolarHBondContact CG1-O 3.13Å; L218-S230 PolarHBondContact N-O 3.12Å; L218-S230 PolarHBondContact O-N 3.24Å; S230-D232 PolarHBondContact OG-N 2.7Å; S230-D232 PolarHBondContact OG-OD1 3.41Å; S230-G234 WeakPolarHBondContact OG-CA 3.49Å; S230-G234 PolarHBondContact OG-N 3.23Å; S230-N236 WeakPolarHBondContact CA-O 3.23Å; S230-N236 WeakPolarHBondContact CB-O 3.34Å; S230-N236 PolarHBondContact OG-O 2.78Å
231	E	96.6	Very high	94.1	Very high	86 Å²	86	48.3 Å²	48.3	40%	0.402	24%	0.239	S	C	.	.	S	Bend	trans	-108.8	5	175.2	-77.7	169.2	-78	0	0	111.8	K238 L279 K281	E231-K238 IonicContact OE1-NZ 3.89Å; E231-K238 PolarHBondContact OE1-NZ 2.88Å; E231-L279 HydrophobicContact CG-CD1 3.79Å; E231-K281 IonicContact OE2-NZ 3.98Å; E231-K281 PolarHBondContact OE2-NZ 3Å; E231-K281 VanDerWaalsContact OE2-NZ 3.11Å
232	D	96.2	Very high	93.4	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.219	25%	0.245	C	C	.	.	S	Bend	trans	-138.6	28.7	-171.3	69.1	-1.8	0	0	0	115	R189 S230 R235 N236	R189-D232 PolarHBondContact NH2-O 2.95Å; S230-D232 PolarHBondContact OG-N 2.7Å; S230-D232 PolarHBondContact OG-OD1 3.41Å; D232-R235 PolarHBondContact OD1-N 2.91Å; D232-R235 VanDerWaalsContact OD1-N 3.13Å; D232-N236 PolarHBondContact OD1-N 2.83Å; D232-N236 PolarHBondContact OD2-N 3.04Å; D232-N236 PolarHBondContact OD2-ND2 3.2Å
233	F	96.9	Very high	93.1	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.258	C	S	.	.	S	Bend	trans	59.5	51.3	-177.5	-167.3	-124	0	0	0	112.9	K170 I172 V187 S188 R189 Y210 E216 L218 R235	K170-F233 HydrophobicContact CB-CE2 3.88Å; K170-F233 HydrophobicContact CB-CZ 3.7Å; K170-F233 HydrophobicContact CD-CD2 4.04Å; K170-F233 HydrophobicContact CD-CE2 3.87Å; K170-F233 HydrophobicContact CD-CZ 4.15Å; K170-F233 HydrophobicContact CG-CE1 4.15Å; K170-F233 HydrophobicContact CG-CE2 3.94Å; K170-F233 HydrophobicContact CG-CZ 3.73Å; I172-F233 HydrophobicContact CD1-CD2 4.42Å; I172-F233 HydrophobicContact CD1-CE2 3.72Å; I172-F233 HydrophobicContact CD1-CZ 4.29Å; I172-F233 HydrophobicContact CG1-CE2 3.76Å; I172-F233 HydrophobicContact CG1-CZ 3.8Å; V187-F233 HydrophobicContact CB-CD1 4.16Å; V187-F233 HydrophobicContact CB-CE1 3.57Å; V187-F233 HydrophobicContact CB-CZ 4.04Å; V187-F233 HydrophobicContact CG1-CE1 4.49Å; V187-F233 HydrophobicContact CG2-CD1 4.09Å; V187-F233 HydrophobicContact CG2-CE1 3.9Å; S188-F233 WeakPolarHBondContact O-CE1 3.03Å; S188-F233 VanDerWaalsContact O-CZ 3.32Å; S188-F233 WeakPolarHBondContact O-CZ 3.38Å; R189-F233 HydrophobicContact CG-CD1 3.69Å; R189-F233 HydrophobicContact CG-CE1 3.61Å; Y210-F233 HydrophobicContact CE1-CD2 4.31Å; Y210-F233 AromaticContact CE1-CE2 3.61Å; Y210-F233 HydrophobicContact CE1-CE2 3.61Å; E216-F233 WeakPolarHBondContact O-CA 3.43Å; E216-F233 PolarHBondContact O-N 3.3Å; L218-F233 HydrophobicContact CD1-CD2 3.81Å; L218-F233 HydrophobicContact CD1-CE2 4.34Å; L218-F233 HydrophobicContact CD2-CD2 4.09Å; L218-F233 HydrophobicContact CD2-CE2 4.37Å; L218-F233 HydrophobicContact CG-CD2 4.2Å; F233-R235 PolarHBondContact O-N 2.85Å
234	G	95.7	Very high	93.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	83.7	7.8	166.2	0	0	0	0	0	115.8	L198 S230 W237	L198-G234 WeakPolarHBondContact CD1-O 3.09Å; S230-G234 WeakPolarHBondContact OG-CA 3.49Å; S230-G234 PolarHBondContact OG-N 3.23Å; G234-W237 PolarHBondContact O-NE1 2.94Å
235	R	95.4	Very high	93.3	Very high	156 Å²	156	44.1 Å²	44.1	59%	0.589	22%	0.217	S	C	*	.	S	Bend	trans	-79	-41.2	178.5	-64.4	170.8	165.8	179.3	-3.1	111.7	L198 D232 F233	L198-R235 HydrophobicContact CD1-CG 3.93Å; L198-R235 HydrophobicContact CD2-CG 4.29Å; D232-R235 PolarHBondContact OD1-N 2.91Å; D232-R235 VanDerWaalsContact OD1-N 3.13Å; F233-R235 PolarHBondContact O-N 2.85Å
236	N	96.3	Very high	93.4	Very high	116 Å²	116	43.6 Å²	43.6	62%	0.62	21%	0.214	S	C	*	.	S	Bend	trans	-121.2	135.9	172.2	-66.9	-85	0	0	0	109.4	S230 D232	S230-N236 WeakPolarHBondContact CA-O 3.23Å; S230-N236 WeakPolarHBondContact CB-O 3.34Å; S230-N236 PolarHBondContact OG-O 2.78Å; D232-N236 PolarHBondContact OD1-N 2.83Å; D232-N236 PolarHBondContact OD2-N 3.04Å; D232-N236 PolarHBondContact OD2-ND2 3.2Å
237	W	96.7	Very high	93.5	Very high	32 Å²	32	42.1 Å²	42.1	12%	0.121	21%	0.207	C	C	.	.			trans	-123.3	136.3	178.8	-67.9	92.5	0	0	0	110	I185 L200 P201 F202 I208 L218 V220 W228 L229 G234	I185-W237 HydrophobicContact CD1-CZ2 4.35Å; L200-W237 HydrophobicContact CD2-CZ2 4.14Å; P201-W237 HydrophobicContact CG-CB 4.03Å; P201-W237 HydrophobicContact CG-CG 4.5Å; F202-W237 HydrophobicContact CE1-CB 4.17Å; F202-W237 AromaticContact CE1-CD2 3.74Å; F202-W237 HydrophobicContact CE1-CD2 3.74Å; F202-W237 AromaticContact CE1-CE3 3.97Å; F202-W237 HydrophobicContact CE1-CE3 3.97Å; F202-W237 AromaticContact CE1-CG 3.84Å; F202-W237 HydrophobicContact CE1-CG 3.84Å; F202-W237 AromaticContact CZ-CD2 4Å; F202-W237 HydrophobicContact CZ-CD2 4Å; F202-W237 HydrophobicContact CZ-CE3 4.03Å; F202-W237 HydrophobicContact CZ-CH2 4.43Å; F202-W237 HydrophobicContact CZ-CZ2 4.4Å; F202-W237 HydrophobicContact CZ-CZ3 4.26Å; I208-W237 HydrophobicContact CD1-CH2 4.31Å; I208-W237 HydrophobicContact CD1-CZ2 4.24Å; I208-W237 HydrophobicContact CG2-CH2 3.94Å; L218-W237 HydrophobicContact CB-CH2 3.8Å; L218-W237 HydrophobicContact CB-CZ3 4.28Å; L218-W237 HydrophobicContact CD1-CH2 4.25Å; L218-W237 HydrophobicContact CD1-CZ2 4.33Å; V220-W237 HydrophobicContact CG1-CH2 4.11Å; V220-W237 HydrophobicContact CG1-CZ3 3.88Å; W228-W237 HydrophobicContact CB-CE3 4Å; W228-W237 HydrophobicContact CB-CZ3 4.49Å; W228-W237 HydrophobicContact CE3-CB 3.91Å; W228-W237 HydrophobicContact CZ3-CB 4.35Å; L229-W237 WeakPolarHBondContact O-CA 3.29Å; G234-W237 PolarHBondContact O-NE1 2.94Å
238	K	95.4	Very high	93.5	Very high	68 Å²	68	43.9 Å²	43.9	30%	0.296	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.6	171.6	68.8	-168.4	-178.2	-177.5	0	109.7	L229 E231 L279	L229-K238 HydrophobicContact CB-CG 4.28Å; L229-K238 PolarHBondContact N-O 2.86Å; L229-K238 PolarHBondContact O-N 3.03Å; E231-K238 IonicContact OE1-NZ 3.89Å; E231-K238 PolarHBondContact OE1-NZ 2.88Å; K238-L279 WeakPolarHBondContact CE-O 3.12Å; K238-L279 PolarHBondContact NZ-O 3.23Å
239	K	94.6	Very high	93.4	Very high	88 Å²	88	43.6 Å²	43.6	38%	0.383	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.3	172.3	172.3	176.3	174.9	-177.6	0	110	E226 W228	E226-K239 HydrophobicContact CB-CD 4.02Å; E226-K239 HydrophobicContact CB-CG 4.31Å; E226-K239 HydrophobicContact CG-CD 4.1Å; E226-K239 WeakPolarHBondContact OE1-CD 3.26Å; E226-K239 VanDerWaalsContact OE1-CE 3.3Å; E226-K239 WeakPolarHBondContact OE1-CE 3.39Å; E226-K239 IonicContact OE1-NZ 3.31Å; E226-K239 PolarHBondContact OE1-NZ 2.89Å; W228-K239 HydrophobicContact CD2-CB 4.08Å; W228-K239 HydrophobicContact CE3-CB 3.98Å; W228-K239 HydrophobicContact CH2-CB 4.04Å; W228-K239 HydrophobicContact CZ2-CB 4.08Å; W228-K239 HydrophobicContact CZ3-CB 3.98Å
240	I	90.1	Very high	93.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	22%	0.219	C	C	.	.			trans	-78.2	131.3	166.2	-64.9	-171	0	0	0	108.8	L227 L229 D242 F257 I283	L227-I240 HydrophobicContact CB-CB 4.33Å; L227-I240 HydrophobicContact CD2-CD1 3.9Å; L227-I240 HydrophobicContact CG-CD1 4.07Å; L227-I240 PolarHBondContact O-N 3.11Å; L229-I240 HydrophobicContact CD2-CD1 4.29Å; I240-D242 VanDerWaalsContact C-N 3.3Å; I240-D242 PolarHBondContact O-N 2.86Å; I240-F257 HydrophobicContact CG2-CE1 4.43Å; I240-F257 HydrophobicContact CG2-CZ 3.96Å; I240-I283 HydrophobicContact CG2-CD1 3.73Å
241	P	78	Confident	92.8	Very high	100 Å²	100	49.8 Å²	49.8	65%	0.649	24%	0.241	S	C	*	.	S	Bend	trans	-78.5	66.7	-170.8	-15.8	33.2	0	0	0	114.8
242	D	80.9	Confident	92.4	Very high	35 Å²	35	53.2 Å²	53.2	19%	0.187	25%	0.254	C	S	.	.	S	Bend	trans	-150.8	161.1	173	-93	-53.1	0	0	0	110.6	I240 V244 F257 K274	I240-D242 VanDerWaalsContact C-N 3.3Å; I240-D242 PolarHBondContact O-N 2.86Å; D242-V244 HydrophobicContact CB-CG2 3.91Å; D242-F257 HydrophobicContact CB-CE2 4.11Å; D242-K274 IonicContact OD1-NZ 2.72Å; D242-K274 PolarHBondContact OD1-NZ 2.71Å; D242-K274 VanDerWaalsContact OD2-CD 3.25Å; D242-K274 WeakPolarHBondContact OD2-CD 3.34Å; D242-K274 IonicContact OD2-NZ 3.62Å; D242-K274 PolarHBondContact OD2-NZ 2.85Å
243	T	89.1	Confident	92.1	Very high	44 Å²	44	53.6 Å²	53.6	27%	0.27	26%	0.256	S	S	.	.			trans	-85.5	114.2	158.8	-60.9	0	0	0	0	107.7	N225 S259 S260	N225-T243 HydrophobicContact CB-CG2 3.76Å; N225-T243 CarbonylContact O-C 3.6Å; N225-T243 WeakPolarHBondContact O-CA 3.21Å; T243-S259 WeakPolarHBondContact O-CA 3.28Å; T243-S259 WeakPolarHBondContact O-CB 3.46Å; T243-S260 PolarHBondContact O-N 3.48Å; T243-S260 VanDerWaalsContact O-N 3.16Å
244	V	93	Very high	92	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.9	-170.4	-177.2	0	0	0	0	110.5	L221 N225 L227 D242 F257 T258	L221-V244 HydrophobicContact CD2-CB 3.82Å; L221-V244 HydrophobicContact CD2-CG1 3.7Å; N225-V244 WeakPolarHBondContact CB-O 3.48Å; N225-V244 PolarHBondContact O-N 2.87Å; L227-V244 HydrophobicContact CB-CB 4.04Å; L227-V244 HydrophobicContact CB-CG1 4.22Å; L227-V244 HydrophobicContact CB-CG2 3.78Å; L227-V244 HydrophobicContact CD2-CG1 4.35Å; D242-V244 HydrophobicContact CB-CG2 3.91Å; V244-F257 HydrophobicContact CB-CD2 4.42Å; V244-F257 HydrophobicContact CG1-CB 3.75Å; V244-F257 HydrophobicContact CG1-CD2 3.92Å; V244-F257 HydrophobicContact CG1-CG 4.22Å; V244-F257 HydrophobicContact CG2-CD2 3.63Å; V244-F257 HydrophobicContact CG2-CE2 3.95Å; V244-F257 HydrophobicContact CG2-CG 4.49Å; V244-T258 WeakPolarHBondContact CA-O 3.02Å
245	C	92.3	Very high	92	Very high	32 Å²	32	53.5 Å²	53.5	22%	0.216	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-40.6	-174.2	-54.3	0	0	0	0	112.7	T258 C265 L271	C245-T258 PolarHBondContact N-O 2.9Å; C245-C265 WeakPolarHBondContact CA-SG 3.4Å; C245-C265 HydrophobicContact CB-CB 3.62Å; C245-C265 WeakPolarHBondContact CB-SG 3.4Å; C245-C265 WeakPolarHBondContact SG-CA 3.31Å; C245-C265 WeakPolarHBondContact SG-CB 3.13Å; C245-C265 CovalentContact SG-SG 2.03Å; C245-C265 PolarHBondContact SG-SG 2.95Å; C245-L271 HydrophobicContact CB-CD1 4.48Å
246	L	93.3	Very high	92.1	Very high	36 Å²	36	46.3 Å²	46.3	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.4	176.1	177.4	63.4	0	0	0	108.4	F257 T258 F293	L246-F257 CarbonylContact O-C 3.55Å; L246-F257 WeakPolarHBondContact O-CA 3.32Å; L246-F257 WeakPolarHBondContact O-CB 3.32Å; L246-T258 PolarHBondContact N-OG1 3.42Å; L246-T258 PolarHBondContact O-N 3.39Å; L246-F293 HydrophobicContact CB-CE1 4.19Å; L246-F293 HydrophobicContact CD2-CD1 3.96Å; L246-F293 HydrophobicContact CD2-CE1 3.79Å; L246-F293 HydrophobicContact CG-CD1 4.44Å; L246-F293 HydrophobicContact CG-CE1 3.79Å; L246-F293 HydrophobicContact CG-CZ 4.47Å
247	F	95.5	Very high	92.1	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.6	166.3	86.6	-79	0	0	0	110.9	M206 A219 L221 L227 I255 F256 F257	M206-F247 HydrophobicContact CE-CE1 4.06Å; M206-F247 HydrophobicContact CE-CZ 4.46Å; M206-F247 HydrophobicContact SD-CD1 4.4Å; M206-F247 HydrophobicContact SD-CE1 3.66Å; A219-F247 HydrophobicContact CB-CD2 4.35Å; A219-F247 HydrophobicContact CB-CE2 3.54Å; A219-F247 HydrophobicContact CB-CZ 3.82Å; L221-F247 HydrophobicContact CD1-CD1 3.92Å; L221-F247 HydrophobicContact CD1-CE1 4.46Å; L221-F247 HydrophobicContact CD2-CD1 4.3Å; L221-F247 HydrophobicContact CG-CD1 3.7Å; L221-F247 HydrophobicContact CG-CE1 4.02Å; L227-F247 HydrophobicContact CD1-CB 4.31Å; L227-F247 HydrophobicContact CD1-CD1 3.71Å; L227-F247 HydrophobicContact CD1-CD2 4.14Å; L227-F247 HydrophobicContact CD1-CE1 3.98Å; L227-F247 HydrophobicContact CD1-CE2 4.42Å; L227-F247 HydrophobicContact CD1-CG 3.77Å; L227-F247 HydrophobicContact CD1-CZ 4.34Å; L227-F247 HydrophobicContact CD2-CB 4Å; L227-F247 HydrophobicContact CD2-CG 4.29Å; F247-I255 HydrophobicContact CB-CG2 4.42Å; F247-I255 HydrophobicContact CD2-CG2 4.11Å; F247-F256 CarbonylContact C-O 3.59Å; F247-F256 WeakPolarHBondContact CA-O 3.47Å; F247-F256 WeakPolarHBondContact CB-O 3.27Å; F247-F257 HydrophobicContact CB-CB 3.77Å
248	K	95.8	Very high	92	Very high	36 Å²	36	39.4 Å²	39.4	16%	0.157	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.7	173.2	-63.9	-178.6	175.2	171.5	0	109.2	F256 F293 L295 D816 D817	K248-F256 PolarHBondContact N-O 3.32Å; K248-F256 PolarHBondContact O-N 3.29Å; K248-F256 VanDerWaalsContact O-N 3.13Å; K248-F293 HydrophobicContact CB-CE2 3.96Å; K248-F293 HydrophobicContact CB-CZ 3.96Å; K248-F293 HydrophobicContact CD-CE2 4.23Å; K248-F293 HydrophobicContact CD-CZ 4.36Å; K248-F293 HydrophobicContact CG-CE2 4.19Å; K248-F293 HydrophobicContact CG-CZ 3.98Å; K248-F293 PolarHBondContact NZ-O 3.2Å; K248-L295 HydrophobicContact CB-CD1 3.82Å; K248-D816 WeakPolarHBondContact CE-OD1 3.45Å; K248-D816 IonicContact NZ-OD1 2.64Å; K248-D816 PolarHBondContact NZ-OD1 2.85Å; K248-D817 PolarHBondContact NZ-O 2.62Å
249	W	95.4	Very high	91.9	Very high	28 Å²	28	36.2 Å²	36.2	11%	0.106	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.8	174.2	-78.5	112.8	0	0	0	110.5	S209 Y210 N211 P212 V217 A219 L229 I255 L279 L295	S209-W249 PolarHBondContact O-NE1 2.86Å; S209-W249 VanDerWaalsContact OG-CD1 3.27Å; S209-W249 PolarHBondContact OG-NE1 2.86Å; Y210-W249 VanDerWaalsContact O-CD1 3.31Å; Y210-W249 PolarHBondContact O-NE1 3.14Å; N211-W249 HydrophobicContact CB-CD2 4.06Å; N211-W249 HydrophobicContact CB-CE3 3.99Å; N211-W249 HydrophobicContact CB-CH2 3.72Å; N211-W249 HydrophobicContact CB-CZ2 3.72Å; N211-W249 HydrophobicContact CB-CZ3 3.83Å; P212-W249 HydrophobicContact CG-CB 4.25Å; V217-W249 HydrophobicContact CG1-CH2 3.61Å; V217-W249 HydrophobicContact CG1-CZ2 4.24Å; V217-W249 HydrophobicContact CG1-CZ3 4.48Å; A219-W249 HydrophobicContact CB-CH2 4.22Å; A219-W249 HydrophobicContact CB-CZ2 3.4Å; L229-W249 HydrophobicContact CD1-CH2 3.86Å; L229-W249 HydrophobicContact CD1-CZ2 4.28Å; W249-I255 HydrophobicContact CE3-CG1 3.73Å; W249-I255 HydrophobicContact CH2-CD1 3.77Å; W249-I255 HydrophobicContact CH2-CG1 3.86Å; W249-I255 HydrophobicContact CZ3-CD1 3.78Å; W249-I255 HydrophobicContact CZ3-CG1 3.34Å; W249-L279 HydrophobicContact CH2-CD2 4.19Å; W249-L279 HydrophobicContact CZ3-CD2 4.06Å; W249-L295 VanDerWaalsContact O-CD1 3.22Å; W249-L295 WeakPolarHBondContact O-CD1 3.49Å
250	G	92.7	Very high	91.5	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	163.5	171.9	0	0	0	0	0	112.4	T254	G250-T254 PolarHBondContact N-O 3.4Å; G250-T254 PolarHBondContact O-N 3.47Å
251	R	89.1	Confident	91	Very high	121 Å²	121	39.2 Å²	39.2	46%	0.457	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	150.4	175.7	-54.8	-176.4	-170.3	-171	0.5	111.7	T254 G297 Q320 D345	R251-T254 VanDerWaalsContact O-CB 3.28Å; R251-T254 WeakPolarHBondContact O-CB 3.36Å; R251-T254 PolarHBondContact O-OG1 2.62Å; R251-G297 PolarHBondContact NH2-O 2.74Å; R251-Q320 PolarHBondContact O-NE2 3.13Å; R251-D345 IonicContact CZ-OD1 2.88Å; R251-D345 IonicContact CZ-OD2 2.79Å; R251-D345 IonicContact NH1-OD1 3.28Å; R251-D345 PolarHBondContact NH1-OD1 2.96Å; R251-D345 IonicContact NH1-OD2 3.61Å; R251-D345 PolarHBondContact NH1-OD2 3.04Å; R251-D345 IonicContact NH2-OD1 2.75Å; R251-D345 PolarHBondContact NH2-OD1 3.03Å; R251-D345 IonicContact NH2-OD2 2.74Å
252	K	88.9	Confident	91	Very high	158 Å²	158	40.1 Å²	40.1	69%	0.687	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	45.4	178.3	-57.4	178.7	-177.2	173	0	113.9	E213 T254	E213-K252 PolarHBondContact OE1-N 3.39Å; E213-K252 WeakPolarHBondContact OE2-CA 3.24Å; E213-K252 PolarHBondContact OE2-N 2.64Å; K252-T254 PolarHBondContact O-N 2.76Å
253	N	89.7	Confident	90.6	Very high	48 Å²	48	40.3 Å²	40.3	26%	0.257	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	29.5	-177	-57.9	-98.8	0	0	0	113.6	N211 E213 L279	N211-N253 PolarHBondContact ND2-OD1 3.17Å; E213-N253 PolarHBondContact OE2-N 3.38Å; E213-N253 VanDerWaalsContact OE2-N 3.12Å; E213-N253 PolarHBondContact OE2-ND2 2.92Å; N253-L279 HydrophobicContact CB-CD2 4.36Å
254	T	94.8	Very high	90.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.1	-176.4	-56.3	0	0	0	0	110.2	G250 R251 K252 F256 R275 T276 T277 Q320	G250-T254 PolarHBondContact N-O 3.4Å; G250-T254 PolarHBondContact O-N 3.47Å; R251-T254 VanDerWaalsContact O-CB 3.28Å; R251-T254 WeakPolarHBondContact O-CB 3.36Å; R251-T254 PolarHBondContact O-OG1 2.62Å; K252-T254 PolarHBondContact O-N 2.76Å; T254-F256 HydrophobicContact CG2-CD2 4.09Å; T254-F256 HydrophobicContact CG2-CE1 4.39Å; T254-F256 HydrophobicContact CG2-CE2 3.63Å; T254-F256 HydrophobicContact CG2-CZ 3.81Å; T254-R275 HydrophobicContact CG2-CG 3.55Å; T254-T276 WeakPolarHBondContact CA-O 3.43Å; T254-T277 HydrophobicContact CG2-CG2 3.99Å; T254-Q320 PolarHBondContact OG1-OE1 2.92Å
255	I	96.2	Very high	89.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.4	169.8	-52	170.7	0	0	0	108.2	L227 L229 F247 W249 F257 R275 T276 L279	L227-I255 HydrophobicContact CD2-CG2 4.14Å; L229-I255 HydrophobicContact CD1-CD1 3.83Å; L229-I255 HydrophobicContact CD2-CD1 3.93Å; F247-I255 HydrophobicContact CB-CG2 4.42Å; F247-I255 HydrophobicContact CD2-CG2 4.11Å; W249-I255 HydrophobicContact CE3-CG1 3.73Å; W249-I255 HydrophobicContact CH2-CD1 3.77Å; W249-I255 HydrophobicContact CH2-CG1 3.86Å; W249-I255 HydrophobicContact CZ3-CD1 3.78Å; W249-I255 HydrophobicContact CZ3-CG1 3.34Å; I255-F257 HydrophobicContact CG2-CD1 4.33Å; I255-R275 WeakPolarHBondContact O-CA 3.33Å; I255-T276 HydrophobicContact CB-CG2 3.82Å; I255-T276 HydrophobicContact CD1-CG2 4.19Å; I255-T276 HydrophobicContact CG1-CG2 4.29Å; I255-T276 PolarHBondContact N-O 2.93Å; I255-T276 PolarHBondContact O-N 3.3Å; I255-L279 HydrophobicContact CD1-CD2 4.27Å
256	F	96.8	Very high	89.1	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.1	167.5	-65.1	-80.7	0	0	0	109.2	F247 K248 T254 L273 K274 R275 F293 L295 L300 Q320	F247-F256 CarbonylContact C-O 3.59Å; F247-F256 WeakPolarHBondContact CA-O 3.47Å; F247-F256 WeakPolarHBondContact CB-O 3.27Å; K248-F256 PolarHBondContact N-O 3.32Å; K248-F256 PolarHBondContact O-N 3.29Å; K248-F256 VanDerWaalsContact O-N 3.13Å; T254-F256 HydrophobicContact CG2-CD2 4.09Å; T254-F256 HydrophobicContact CG2-CE1 4.39Å; T254-F256 HydrophobicContact CG2-CE2 3.63Å; T254-F256 HydrophobicContact CG2-CZ 3.81Å; F256-L273 HydrophobicContact CB-CD1 4.47Å; F256-K274 WeakPolarHBondContact CA-O 3.38Å; F256-R275 HydrophobicContact CD1-CB 4.05Å; F256-R275 HydrophobicContact CD1-CG 3.87Å; F256-R275 HydrophobicContact CE1-CB 4.08Å; F256-R275 HydrophobicContact CE1-CG 3.62Å; F256-R275 HydrophobicContact CZ-CG 4.21Å; F256-F293 HydrophobicContact CB-CD2 4.33Å; F256-F293 HydrophobicContact CB-CE2 3.49Å; F256-F293 VanDerWaalsContact CB-CE2 3.49Å; F256-F293 HydrophobicContact CB-CZ 3.85Å; F256-F293 HydrophobicContact CG-CE2 4.45Å; F256-F293 WeakPolarHBondContact O-CZ 3.46Å; F256-L295 HydrophobicContact CD2-CD1 4.26Å; F256-L295 HydrophobicContact CD2-CD2 4.09Å; F256-L295 HydrophobicContact CE2-CD2 4.1Å; F256-L300 HydrophobicContact CD1-CD1 4.14Å; F256-L300 HydrophobicContact CD1-CD2 4.03Å; F256-L300 HydrophobicContact CE1-CD1 4.26Å; F256-L300 HydrophobicContact CE1-CD2 3.53Å; F256-L300 HydrophobicContact CE1-CG 4.49Å; F256-L300 HydrophobicContact CG-CD1 4.29Å; F256-L300 HydrophobicContact CZ-CD2 4.02Å; F256-Q320 HydrophobicContact CE1-CB 4.37Å; F256-Q320 WeakPolarHBondContact CE1-O 3.41Å; F256-Q320 HydrophobicContact CZ-CB 3.79Å; F256-Q320 HydrophobicContact CZ-CG 4.21Å
257	F	95.9	Very high	88.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	146.4	178.8	66	-88.5	0	0	0	113.1	L227 I240 D242 V244 L246 F247 I255 K274 I283	L227-F257 HydrophobicContact CD2-CB 4.15Å; L227-F257 HydrophobicContact CD2-CD1 4.22Å; L227-F257 HydrophobicContact CD2-CG 4.15Å; I240-F257 HydrophobicContact CG2-CE1 4.43Å; I240-F257 HydrophobicContact CG2-CZ 3.96Å; D242-F257 HydrophobicContact CB-CE2 4.11Å; V244-F257 HydrophobicContact CB-CD2 4.42Å; V244-F257 HydrophobicContact CG1-CB 3.75Å; V244-F257 HydrophobicContact CG1-CD2 3.92Å; V244-F257 HydrophobicContact CG1-CG 4.22Å; V244-F257 HydrophobicContact CG2-CD2 3.63Å; V244-F257 HydrophobicContact CG2-CE2 3.95Å; V244-F257 HydrophobicContact CG2-CG 4.49Å; L246-F257 CarbonylContact O-C 3.55Å; L246-F257 WeakPolarHBondContact O-CA 3.32Å; L246-F257 WeakPolarHBondContact O-CB 3.32Å; F247-F257 HydrophobicContact CB-CB 3.77Å; I255-F257 HydrophobicContact CG2-CD1 4.33Å; F257-K274 HydrophobicContact CD1-CB 4.32Å; F257-K274 HydrophobicContact CD2-CB 4.15Å; F257-K274 HydrophobicContact CE1-CB 3.93Å; F257-K274 HydrophobicContact CE2-CB 3.75Å; F257-K274 HydrophobicContact CE2-CD 3.77Å; F257-K274 HydrophobicContact CE2-CG 4.4Å; F257-K274 HydrophobicContact CG-CB 4.44Å; F257-K274 HydrophobicContact CZ-CB 3.64Å; F257-K274 HydrophobicContact CZ-CD 4.03Å; F257-K274 HydrophobicContact CZ-CG 4.49Å; F257-K274 PolarHBondContact N-O 2.9Å; F257-K274 PolarHBondContact O-N 3.5Å; F257-I283 HydrophobicContact CE1-CG2 4.26Å; F257-I283 HydrophobicContact CZ-CD1 4.41Å; F257-I283 HydrophobicContact CZ-CG2 3.75Å
258	T	95.1	Very high	87.3	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132	172.4	47.1	0	0	0	0	110.7	V244 C245 L246 Q272 L273 I290 F293	V244-T258 WeakPolarHBondContact CA-O 3.02Å; C245-T258 PolarHBondContact N-O 2.9Å; L246-T258 PolarHBondContact N-OG1 3.42Å; L246-T258 PolarHBondContact O-N 3.39Å; T258-Q272 CarbonylContact C-O 3.5Å; T258-Q272 WeakPolarHBondContact CA-O 3.4Å; T258-L273 HydrophobicContact CG2-CD1 4.1Å; T258-I290 HydrophobicContact CG2-CG2 3.98Å; T258-F293 HydrophobicContact CG2-CD1 3.67Å; T258-F293 HydrophobicContact CG2-CE1 4.14Å
259	S	92.6	Very high	86.7	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.3	177.1	68.9	0	0	0	0	112.4	T243 Q272 K274	T243-S259 WeakPolarHBondContact O-CA 3.28Å; T243-S259 WeakPolarHBondContact O-CB 3.46Å; S259-Q272 PolarHBondContact N-O 3.16Å; S259-Q272 PolarHBondContact O-N 2.88Å; S259-K274 WeakPolarHBondContact OG-CD 3.38Å; S259-K274 WeakPolarHBondContact OG-CE 3.45Å; S259-K274 PolarHBondContact OG-NZ 3.41Å
260	S	86.8	Confident	86.3	Confident	7 Å²	7	55.5 Å²	55.5	5%	0.049	28%	0.282	C	S	.	.			trans	-95.4	136.4	171.8	-178.2	0	0	0	0	111.5	T243 N262 G263 S264	T243-S260 PolarHBondContact O-N 3.48Å; T243-S260 VanDerWaalsContact O-N 3.16Å; S260-N262 PolarHBondContact OG-N 3.45Å; S260-G263 PolarHBondContact OG-N 3.06Å; S260-S264 WeakPolarHBondContact CB-O 3.35Å; S260-S264 PolarHBondContact OG-N 3.04Å; S260-S264 PolarHBondContact OG-O 2.95Å
261	Q	79.5	Confident	86.2	Confident	147 Å²	147	55.1 Å²	55.1	69%	0.687	28%	0.277	S	S	*	.	S	Bend	trans	-76.8	-27.1	173.1	-67	-172	-3.3	0	0	112.7
262	N	77.4	Confident	86.5	Confident	119 Å²	119	51.1 Å²	51.1	64%	0.636	26%	0.264	S	S	*	.	S	Bend	trans	-93.6	1.7	-178.1	-67.6	-27.4	0	0	0	112.9	S260 S264 E267	S260-N262 PolarHBondContact OG-N 3.45Å; N262-S264 VanDerWaalsContact C-N 3.25Å; N262-S264 PolarHBondContact O-N 2.85Å; N262-E267 PolarHBondContact ND2-OE1 3.02Å; N262-E267 PolarHBondContact ND2-OE2 2.84Å
263	G	74	Confident	86.8	Confident	39 Å²	39	43.6 Å²	43.6	40%	0.402	23%	0.231	S	C	.	.	S	Bend	trans	75.8	5.5	-178.3	0	0	0	0	0	115.1	S260	S260-G263 PolarHBondContact OG-N 3.06Å
264	S	80.3	Confident	87	Confident	39 Å²	39	42.3 Å²	42.3	27%	0.273	22%	0.223	S	C	.	.			trans	-115.7	129.1	177.3	-179.6	0	0	0	0	111.6	S260 N262 I266	S260-S264 WeakPolarHBondContact CB-O 3.35Å; S260-S264 PolarHBondContact OG-N 3.04Å; S260-S264 PolarHBondContact OG-O 2.95Å; N262-S264 VanDerWaalsContact C-N 3.25Å; N262-S264 PolarHBondContact O-N 2.85Å; S264-I266 VanDerWaalsContact C-N 3.32Å; S264-I266 PolarHBondContact OG-N 2.86Å
265	C	82.9	Confident	87.1	Confident	29 Å²	29	43.7 Å²	43.7	20%	0.196	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.3	176	-65.4	0	0	0	0	113.7	C245 E267	C245-C265 WeakPolarHBondContact CA-SG 3.4Å; C245-C265 HydrophobicContact CB-CB 3.62Å; C245-C265 WeakPolarHBondContact CB-SG 3.4Å; C245-C265 WeakPolarHBondContact SG-CA 3.31Å; C245-C265 WeakPolarHBondContact SG-CB 3.13Å; C245-C265 CovalentContact SG-SG 2.03Å; C245-C265 PolarHBondContact SG-SG 2.95Å; C265-E267 PolarHBondContact O-N 3.12Å
266	I	79.4	Confident	87	Confident	155 Å²	155	43.8 Å²	43.8	80%	0.795	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.7	176.5	-55.9	170	0	0	0	110.9	S264 R268	S264-I266 VanDerWaalsContact C-N 3.32Å; S264-I266 PolarHBondContact OG-N 2.86Å; I266-R268 PolarHBondContact O-N 2.96Å
267	E	73.1	Confident	86.9	Confident	79 Å²	79	46.5 Å²	46.5	37%	0.369	25%	0.246	S	C	.	.			trans	-77.4	49.9	177.2	-60.6	-173.4	165.4	0	0	112.9	N262 C265 G269 M270	N262-E267 PolarHBondContact ND2-OE1 3.02Å; N262-E267 PolarHBondContact ND2-OE2 2.84Å; C265-E267 PolarHBondContact O-N 3.12Å; E267-G269 PolarHBondContact O-N 3.34Å; E267-M270 HydrophobicContact CB-CB 4.43Å; E267-M270 PolarHBondContact O-N 3.19Å
268	R	77.5	Confident	86.8	Confident	71 Å²	71	48.7 Å²	48.7	27%	0.268	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	136.6	171.7	-68.1	-162.6	-170	121.8	18.7	110	I266 F291 D821	I266-R268 PolarHBondContact O-N 2.96Å; R268-F291 HydrophobicContact CB-CD2 3.73Å; R268-F291 HydrophobicContact CB-CE2 3.8Å; R268-F291 HydrophobicContact CB-CG 4.12Å; R268-F291 HydrophobicContact CB-CZ 4.26Å; R268-D821 IonicContact CZ-OD2 2.74Å; R268-D821 IonicContact NE-OD2 2.78Å; R268-D821 PolarHBondContact NE-OD2 3.46Å; R268-D821 PolarHBondContact NH1-O 3.08Å; R268-D821 IonicContact NH1-OD2 2.73Å; R268-D821 PolarHBondContact NH2-O 3.18Å; R268-D821 IonicContact NH2-OD2 3.95Å; R268-D821 PolarHBondContact NH2-OD2 2.93Å
269	G	82.4	Confident	86.7	Confident	4 Å²	4	49.3 Å²	49.3	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-9.9	-173.6	0	0	0	0	0	114.3	E267 K289 I290 M305	E267-G269 PolarHBondContact O-N 3.34Å; G269-K289 CarbonylContact O-C 3.56Å; G269-K289 WeakPolarHBondContact O-CA 3.48Å; G269-I290 CarbonylContact C-O 3.55Å; G269-I290 WeakPolarHBondContact CA-O 3.49Å; G269-I290 PolarHBondContact N-O 2.91Å; G269-M305 WeakPolarHBondContact O-CG 3.34Å
270	M	87	Confident	86.6	Confident	129 Å²	129	50.2 Å²	50.2	64%	0.635	27%	0.27	S	S	*	.	S	Bend	trans	-113.1	-0.6	171.7	-68.1	-62.9	-65	0	0	113.3	E267	E267-M270 HydrophobicContact CB-CB 4.43Å; E267-M270 PolarHBondContact O-N 3.19Å
271	L	91.8	Very high	86.8	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	158.1	-178.8	-52.6	177.9	0	0	0	112	C245 K289 I290	C245-L271 HydrophobicContact CB-CD1 4.48Å; L271-K289 PolarHBondContact O-N 3.42Å; L271-I290 HydrophobicContact CB-CB 4.27Å; L271-I290 WeakPolarHBondContact CB-O 3.35Å; L271-I290 PolarHBondContact N-O 3.46Å; L271-I290 PolarHBondContact O-N 3.45Å
272	Q	93.5	Very high	87.5	Confident	37 Å²	37	53.5 Å²	53.5	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.4	169.7	-62.7	-164.3	-63.3	0	0	110.1	T258 S259 T285 S288	T258-Q272 CarbonylContact C-O 3.5Å; T258-Q272 WeakPolarHBondContact CA-O 3.4Å; S259-Q272 PolarHBondContact N-O 3.16Å; S259-Q272 PolarHBondContact O-N 2.88Å; Q272-T285 HydrophobicContact CB-CG2 4.1Å; Q272-T285 HydrophobicContact CG-CG2 4.49Å; Q272-S288 PolarHBondContact NE2-OG 2.83Å
273	L	95.4	Very high	88.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.9	170.3	180	64.3	0	0	0	108.7	F256 T258 V286 A287 I290 F293 L300 A302 W324	F256-L273 HydrophobicContact CB-CD1 4.47Å; T258-L273 HydrophobicContact CG2-CD1 4.1Å; L273-V286 HydrophobicContact CB-CG2 4.22Å; L273-V286 HydrophobicContact CD2-CG2 3.97Å; L273-V286 HydrophobicContact CG-CG2 3.7Å; L273-V286 WeakPolarHBondContact O-CG2 3.36Å; L273-V286 PolarHBondContact O-N 3.38Å; L273-A287 HydrophobicContact CB-CB 4.35Å; L273-A287 PolarHBondContact N-O 2.88Å; L273-A287 PolarHBondContact O-N 2.82Å; L273-I290 HydrophobicContact CB-CG1 3.93Å; L273-F293 HydrophobicContact CD1-CB 4.14Å; L273-F293 HydrophobicContact CD1-CD1 3.73Å; L273-F293 HydrophobicContact CD1-CD2 3.95Å; L273-F293 HydrophobicContact CD1-CE1 4.05Å; L273-F293 HydrophobicContact CD1-CE2 4.28Å; L273-F293 HydrophobicContact CD1-CG 3.66Å; L273-F293 HydrophobicContact CD1-CZ 4.31Å; L273-F293 HydrophobicContact CD2-CB 4.16Å; L273-F293 HydrophobicContact CD2-CG 4.44Å; L273-L300 HydrophobicContact CD2-CD1 4.41Å; L273-L300 HydrophobicContact CD2-CD2 4.46Å; L273-A302 HydrophobicContact CD2-CB 4.25Å; L273-W324 HydrophobicContact CD2-CH2 3.78Å; L273-W324 HydrophobicContact CD2-CZ2 3.94Å
274	K	95.4	Very high	89.2	Confident	21 Å²	21	52.3 Å²	52.3	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152.8	-179	-74	170.5	176.6	165.2	0	110.5	D242 F256 F257 S259 I283 K284	D242-K274 IonicContact OD1-NZ 2.72Å; D242-K274 PolarHBondContact OD1-NZ 2.71Å; D242-K274 VanDerWaalsContact OD2-CD 3.25Å; D242-K274 WeakPolarHBondContact OD2-CD 3.34Å; D242-K274 IonicContact OD2-NZ 3.62Å; D242-K274 PolarHBondContact OD2-NZ 2.85Å; F256-K274 WeakPolarHBondContact CA-O 3.38Å; F257-K274 HydrophobicContact CD1-CB 4.32Å; F257-K274 HydrophobicContact CD2-CB 4.15Å; F257-K274 HydrophobicContact CE1-CB 3.93Å; F257-K274 HydrophobicContact CE2-CB 3.75Å; F257-K274 HydrophobicContact CE2-CD 3.77Å; F257-K274 HydrophobicContact CE2-CG 4.4Å; F257-K274 HydrophobicContact CG-CB 4.44Å; F257-K274 HydrophobicContact CZ-CB 3.64Å; F257-K274 HydrophobicContact CZ-CD 4.03Å; F257-K274 HydrophobicContact CZ-CG 4.49Å; F257-K274 PolarHBondContact N-O 2.9Å; F257-K274 PolarHBondContact O-N 3.5Å; S259-K274 WeakPolarHBondContact OG-CD 3.38Å; S259-K274 WeakPolarHBondContact OG-CE 3.45Å; S259-K274 PolarHBondContact OG-NZ 3.41Å; K274-I283 HydrophobicContact CB-CG2 3.97Å; K274-I283 HydrophobicContact CD-CG2 3.93Å; K274-I283 HydrophobicContact CG-CG2 4.16Å; K274-K284 CarbonylContact C-O 3.54Å; K274-K284 VanDerWaalsContact CA-O 3.31Å; K274-K284 WeakPolarHBondContact CA-O 3.36Å
275	R	95.8	Very high	89.9	Confident	29 Å²	29	52.7 Å²	52.7	11%	0.109	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.8	176.7	-169.2	-171.8	77.1	-140	0.6	110.3	T254 I255 F256 T277 K284 V286 Q320 E322	T254-R275 HydrophobicContact CG2-CG 3.55Å; I255-R275 WeakPolarHBondContact O-CA 3.33Å; F256-R275 HydrophobicContact CD1-CB 4.05Å; F256-R275 HydrophobicContact CD1-CG 3.87Å; F256-R275 HydrophobicContact CE1-CB 4.08Å; F256-R275 HydrophobicContact CE1-CG 3.62Å; F256-R275 HydrophobicContact CZ-CG 4.21Å; R275-T277 HydrophobicContact CG-CG2 4.27Å; R275-K284 PolarHBondContact N-O 3.39Å; R275-K284 PolarHBondContact O-N 3.16Å; R275-V286 HydrophobicContact CB-CG1 3.82Å; R275-Q320 VanDerWaalsContact CD-O 3.27Å; R275-Q320 WeakPolarHBondContact CD-O 3.25Å; R275-Q320 PolarHBondContact NH1-O 2.87Å; R275-E322 IonicContact CZ-OE1 2.69Å; R275-E322 IonicContact NH1-OE1 3.17Å; R275-E322 PolarHBondContact NH1-OE1 2.98Å; R275-E322 IonicContact NH2-OE1 3.25Å; R275-E322 PolarHBondContact NH2-OE1 2.96Å
276	T	95.3	Very high	90.5	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.5	159.2	178.9	0	0	0	0	110.1	T254 I255 D278 G280 T282	T254-T276 WeakPolarHBondContact CA-O 3.43Å; I255-T276 HydrophobicContact CB-CG2 3.82Å; I255-T276 HydrophobicContact CD1-CG2 4.19Å; I255-T276 HydrophobicContact CG1-CG2 4.29Å; I255-T276 PolarHBondContact N-O 2.93Å; I255-T276 PolarHBondContact O-N 3.3Å; T276-D278 PolarHBondContact OG1-OD1 3.04Å; T276-G280 WeakPolarHBondContact OG1-CA 3.46Å; T276-G280 PolarHBondContact OG1-N 2.83Å; T276-T282 WeakPolarHBondContact CB-O 3.48Å; T276-T282 PolarHBondContact OG1-O 2.87Å
277	T	94.6	Very high	91.1	Very high	62 Å²	62	44.7 Å²	44.7	38%	0.38	23%	0.228	S	C	.	.	S	Bend	trans	-123.1	5.7	-179.5	54.1	0	0	0	0	112.1	T254 R275	T254-T277 HydrophobicContact CG2-CG2 3.99Å; R275-T277 HydrophobicContact CG-CG2 4.27Å
278	D	93.3	Very high	92	Very high	46 Å²	46	42.4 Å²	42.4	25%	0.246	22%	0.221	C	C	.	.	S	Bend	trans	-130.1	22.2	-177.6	61.1	13.7	0	0	0	112.1	T276 K281 T282	T276-D278 PolarHBondContact OG1-OD1 3.04Å; D278-K281 HydrophobicContact CB-CB 4.38Å; D278-K281 WeakPolarHBondContact O-CD 3.44Å; D278-K281 WeakPolarHBondContact O-CG 3.29Å; D278-K281 PolarHBondContact O-NZ 2.96Å; D278-K281 WeakPolarHBondContact OD1-CA 3.46Å; D278-K281 PolarHBondContact OD1-N 2.81Å; D278-T282 VanDerWaalsContact CG-N 3.29Å; D278-T282 PolarHBondContact OD1-N 2.99Å; D278-T282 WeakPolarHBondContact OD2-CB 3.4Å; D278-T282 WeakPolarHBondContact OD2-CG2 3.17Å; D278-T282 PolarHBondContact OD2-N 3.04Å; D278-T282 PolarHBondContact OD2-OG1 2.67Å
279	L	92.1	Very high	92.6	Very high	16 Å²	16	43 Å²	43	8%	0.084	23%	0.225	C	C	.	.	S	Bend	trans	61.4	51.6	-179.3	-60.3	-180	0	0	0	112.1	V217 L229 E231 K238 W249 N253 I255	V217-L279 HydrophobicContact CG1-CD1 3.91Å; V217-L279 HydrophobicContact CG1-CD2 3.97Å; V217-L279 HydrophobicContact CG2-CD1 4.01Å; L229-L279 HydrophobicContact CD2-CB 3.83Å; L229-L279 HydrophobicContact CD2-CD2 4.38Å; L229-L279 WeakPolarHBondContact CD2-O 3.44Å; E231-L279 HydrophobicContact CG-CD1 3.79Å; K238-L279 WeakPolarHBondContact CE-O 3.12Å; K238-L279 PolarHBondContact NZ-O 3.23Å; W249-L279 HydrophobicContact CH2-CD2 4.19Å; W249-L279 HydrophobicContact CZ3-CD2 4.06Å; N253-L279 HydrophobicContact CB-CD2 4.36Å; I255-L279 HydrophobicContact CD1-CD2 4.27Å
280	G	90.6	Very high	93.1	Very high	20 Å²	20	42.9 Å²	42.9	21%	0.206	22%	0.223	C	C	.	.	S	Bend	trans	81.8	16.7	170.6	0	0	0	0	0	115.4	T276	T276-G280 WeakPolarHBondContact OG1-CA 3.46Å; T276-G280 PolarHBondContact OG1-N 2.83Å
281	K	91.3	Very high	93.3	Very high	136 Å²	136	37.2 Å²	37.2	59%	0.591	20%	0.195	S	C	*	.	S	Bend	trans	-86.9	-35.8	177.6	-56.1	171.2	-175.8	100	0	110.6	E231 D278	E231-K281 IonicContact OE2-NZ 3.98Å; E231-K281 PolarHBondContact OE2-NZ 3Å; E231-K281 VanDerWaalsContact OE2-NZ 3.11Å; D278-K281 HydrophobicContact CB-CB 4.38Å; D278-K281 WeakPolarHBondContact O-CD 3.44Å; D278-K281 WeakPolarHBondContact O-CG 3.29Å; D278-K281 PolarHBondContact O-NZ 2.96Å; D278-K281 WeakPolarHBondContact OD1-CA 3.46Å; D278-K281 PolarHBondContact OD1-N 2.81Å
282	T	93.6	Very high	93.3	Very high	87 Å²	87	37.3 Å²	37.3	53%	0.534	20%	0.196	S	C	.	.	S	Bend	trans	-124.3	143	164.9	62.7	0	0	0	0	110.1	T276 D278	T276-T282 WeakPolarHBondContact CB-O 3.48Å; T276-T282 PolarHBondContact OG1-O 2.87Å; D278-T282 VanDerWaalsContact CG-N 3.29Å; D278-T282 PolarHBondContact OD1-N 2.99Å; D278-T282 WeakPolarHBondContact OD2-CB 3.4Å; D278-T282 WeakPolarHBondContact OD2-CG2 3.17Å; D278-T282 PolarHBondContact OD2-N 3.04Å; D278-T282 PolarHBondContact OD2-OG1 2.67Å
283	I	94.3	Very high	93.4	Very high	63 Å²	63	35.6 Å²	35.6	32%	0.323	19%	0.188	S	C	.	.			trans	-129.9	124.3	-178.8	-58.1	170.7	0	0	0	106.9	I240 F257 K274	I240-I283 HydrophobicContact CG2-CD1 3.73Å; F257-I283 HydrophobicContact CE1-CG2 4.26Å; F257-I283 HydrophobicContact CZ-CD1 4.41Å; F257-I283 HydrophobicContact CZ-CG2 3.75Å; K274-I283 HydrophobicContact CB-CG2 3.97Å; K274-I283 HydrophobicContact CD-CG2 3.93Å; K274-I283 HydrophobicContact CG-CG2 4.16Å
284	K	94.4	Very high	93.4	Very high	70 Å²	70	35.6 Å²	35.6	30%	0.304	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.8	177.1	179.5	-176.6	173.9	-165.2	0	109	K274 R275 V286 E322	K274-K284 CarbonylContact C-O 3.54Å; K274-K284 VanDerWaalsContact CA-O 3.31Å; K274-K284 WeakPolarHBondContact CA-O 3.36Å; R275-K284 PolarHBondContact N-O 3.39Å; R275-K284 PolarHBondContact O-N 3.16Å; K284-V286 HydrophobicContact CD-CG1 4.23Å; K284-V286 HydrophobicContact CG-CG1 4.25Å; K284-V286 PolarHBondContact O-N 3.05Å; K284-E322 IonicContact NZ-OE1 2.76Å; K284-E322 PolarHBondContact NZ-OE1 2.79Å; K284-E322 IonicContact NZ-OE2 2.77Å; K284-E322 PolarHBondContact NZ-OE2 2.99Å
285	T	94.8	Very high	93.3	Very high	46 Å²	46	36 Å²	36	28%	0.282	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	118.5	162.5	-57.5	0	0	0	0	108.3	Q272 A287	Q272-T285 HydrophobicContact CB-CG2 4.1Å; Q272-T285 HydrophobicContact CG-CG2 4.49Å; T285-A287 VanDerWaalsContact CG2-O 3.32Å; T285-A287 WeakPolarHBondContact CG2-O 3.4Å
286	V	94.8	Very high	93.1	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.073	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-27.1	-179.3	-67.2	0	0	0	0	112.3	L273 R275 K284 G321 W324	L273-V286 HydrophobicContact CB-CG2 4.22Å; L273-V286 HydrophobicContact CD2-CG2 3.97Å; L273-V286 HydrophobicContact CG-CG2 3.7Å; L273-V286 WeakPolarHBondContact O-CG2 3.36Å; L273-V286 PolarHBondContact O-N 3.38Å; R275-V286 HydrophobicContact CB-CG1 3.82Å; K284-V286 HydrophobicContact CD-CG1 4.23Å; K284-V286 HydrophobicContact CG-CG1 4.25Å; K284-V286 PolarHBondContact O-N 3.05Å; V286-G321 WeakPolarHBondContact CB-O 3.35Å; V286-G321 VanDerWaalsContact CG1-O 3.29Å; V286-G321 WeakPolarHBondContact CG1-O 3.22Å; V286-W324 HydrophobicContact CB-CZ2 4.44Å; V286-W324 HydrophobicContact CG2-CZ2 4.17Å; V286-W324 PolarHBondContact O-NE1 2.94Å
287	A	91.9	Very high	92.9	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	168.2	172.5	0	0	0	0	0	111.9	L273 T285 I290 W324 V734	L273-A287 HydrophobicContact CB-CB 4.35Å; L273-A287 PolarHBondContact N-O 2.88Å; L273-A287 PolarHBondContact O-N 2.82Å; T285-A287 VanDerWaalsContact CG2-O 3.32Å; T285-A287 WeakPolarHBondContact CG2-O 3.4Å; A287-I290 HydrophobicContact CB-CD1 3.79Å; A287-I290 HydrophobicContact CB-CG1 4.36Å; A287-W324 HydrophobicContact CB-CZ2 3.92Å; A287-V734 HydrophobicContact CB-CG1 4.05Å
288	S	91.4	Very high	92.7	Very high	31 Å²	31	38.1 Å²	38.1	22%	0.217	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164	-178.6	-71.5	0	0	0	0	110.8	Q272 I290	Q272-S288 PolarHBondContact NE2-OG 2.83Å; S288-I290 WeakPolarHBondContact O-CD1 3.43Å
289	K	90.3	Very high	92.8	Very high	84 Å²	84	36 Å²	36	37%	0.365	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64.1	41.6	-173	-53.4	174.8	-176.6	174	0	112.6	G269 L271 M305 L733	G269-K289 CarbonylContact O-C 3.56Å; G269-K289 WeakPolarHBondContact O-CA 3.48Å; L271-K289 PolarHBondContact O-N 3.42Å; K289-M305 PolarHBondContact O-N 3.18Å; K289-L733 HydrophobicContact CD-CD2 3.89Å
290	I	92.8	Very high	92.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.3	-172.4	-54.8	-51.1	0	0	0	110.5	T258 G269 L271 L273 A287 S288 S292 A302 V304	T258-I290 HydrophobicContact CG2-CG2 3.98Å; G269-I290 CarbonylContact C-O 3.55Å; G269-I290 WeakPolarHBondContact CA-O 3.49Å; G269-I290 PolarHBondContact N-O 2.91Å; L271-I290 HydrophobicContact CB-CB 4.27Å; L271-I290 WeakPolarHBondContact CB-O 3.35Å; L271-I290 PolarHBondContact N-O 3.46Å; L271-I290 PolarHBondContact O-N 3.45Å; L273-I290 HydrophobicContact CB-CG1 3.93Å; A287-I290 HydrophobicContact CB-CD1 3.79Å; A287-I290 HydrophobicContact CB-CG1 4.36Å; S288-I290 WeakPolarHBondContact O-CD1 3.43Å; I290-S292 WeakPolarHBondContact CG2-O 3.42Å; I290-A302 HydrophobicContact CD1-CB 4.19Å; I290-V304 HydrophobicContact CD1-CG2 3.81Å
291	F	91.6	Very high	93.2	Very high	10 Å²	10	34.5 Å²	34.5	4%	0.044	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-66.2	168.8	-167.2	-81.7	0	0	0	109.6	R268 S303 M305 H334 D819	R268-F291 HydrophobicContact CB-CD2 3.73Å; R268-F291 HydrophobicContact CB-CE2 3.8Å; R268-F291 HydrophobicContact CB-CG 4.12Å; R268-F291 HydrophobicContact CB-CZ 4.26Å; F291-S303 PolarHBondContact N-O 3.02Å; F291-M305 HydrophobicContact CD2-SD 4.15Å; F291-H334 AromaticContact CE2-CE1 3.95Å; F291-H334 AromaticContact CE2-ND1 3.69Å; F291-H334 AromaticContact CZ-CE1 3.94Å; F291-H334 AromaticContact CZ-ND1 3.78Å; F291-D819 HydrophobicContact CD1-CB 4.35Å; F291-D819 VanDerWaalsContact CD1-OD1 3.23Å; F291-D819 WeakPolarHBondContact CD1-OD1 3.27Å; F291-D819 HydrophobicContact CE1-CB 4.25Å
292	S	93	Very high	93.4	Very high	6 Å²	6	28 Å²	28	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-177.2	166.6	-158	0	0	0	0	112	I290 S303 D819	I290-S292 WeakPolarHBondContact CG2-O 3.42Å; S292-S303 PolarHBondContact O-N 2.93Å; S292-D819 WeakPolarHBondContact CB-OD1 3.43Å; S292-D819 PolarHBondContact N-OD1 2.96Å
293	F	95.6	Very high	93.4	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.2	177.7	84.6	-80.6	0	0	0	112.4	L246 K248 F256 T258 L273 L300 F301	L246-F293 HydrophobicContact CB-CE1 4.19Å; L246-F293 HydrophobicContact CD2-CD1 3.96Å; L246-F293 HydrophobicContact CD2-CE1 3.79Å; L246-F293 HydrophobicContact CG-CD1 4.44Å; L246-F293 HydrophobicContact CG-CE1 3.79Å; L246-F293 HydrophobicContact CG-CZ 4.47Å; K248-F293 HydrophobicContact CB-CE2 3.96Å; K248-F293 HydrophobicContact CB-CZ 3.96Å; K248-F293 HydrophobicContact CD-CE2 4.23Å; K248-F293 HydrophobicContact CD-CZ 4.36Å; K248-F293 HydrophobicContact CG-CE2 4.19Å; K248-F293 HydrophobicContact CG-CZ 3.98Å; K248-F293 PolarHBondContact NZ-O 3.2Å; F256-F293 HydrophobicContact CB-CD2 4.33Å; F256-F293 HydrophobicContact CB-CE2 3.49Å; F256-F293 VanDerWaalsContact CB-CE2 3.49Å; F256-F293 HydrophobicContact CB-CZ 3.85Å; F256-F293 HydrophobicContact CG-CE2 4.45Å; F256-F293 WeakPolarHBondContact O-CZ 3.46Å; T258-F293 HydrophobicContact CG2-CD1 3.67Å; T258-F293 HydrophobicContact CG2-CE1 4.14Å; L273-F293 HydrophobicContact CD1-CB 4.14Å; L273-F293 HydrophobicContact CD1-CD1 3.73Å; L273-F293 HydrophobicContact CD1-CD2 3.95Å; L273-F293 HydrophobicContact CD1-CE1 4.05Å; L273-F293 HydrophobicContact CD1-CE2 4.28Å; L273-F293 HydrophobicContact CD1-CG 3.66Å; L273-F293 HydrophobicContact CD1-CZ 4.31Å; L273-F293 HydrophobicContact CD2-CB 4.16Å; L273-F293 HydrophobicContact CD2-CG 4.44Å; F293-L300 HydrophobicContact CD2-CD1 3.96Å; F293-F301 CarbonylContact C-O 3.3Å; F293-F301 VanDerWaalsContact CA-O 3.25Å; F293-F301 WeakPolarHBondContact CA-O 3.4Å; F293-F301 VanDerWaalsContact CB-O 3.3Å; F293-F301 WeakPolarHBondContact CB-O 3.39Å
294	G	95.1	Very high	93.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.4	-178.9	0	0	0	0	0	112.1	F301	G294-F301 PolarHBondContact N-O 3.26Å; G294-F301 PolarHBondContact O-N 2.92Å
295	L	94	Very high	93.1	Very high	31 Å²	31	19.4 Å²	19.4	16%	0.162	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.2	168.9	-67.2	173.4	0	0	0	108	K248 W249 F256 L300	K248-L295 HydrophobicContact CB-CD1 3.82Å; W249-L295 VanDerWaalsContact O-CD1 3.22Å; W249-L295 WeakPolarHBondContact O-CD1 3.49Å; F256-L295 HydrophobicContact CD2-CD1 4.26Å; F256-L295 HydrophobicContact CD2-CD2 4.09Å; F256-L295 HydrophobicContact CE2-CD2 4.1Å; L295-L300 HydrophobicContact CD2-CB 4.17Å; L295-L300 HydrophobicContact CD2-CD1 3.6Å; L295-L300 HydrophobicContact CD2-CG 4.5Å
296	G	91.5	Very high	92.5	Very high	9 Å²	9	18.9 Å²	18.9	9%	0.093	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	119.2	177.2	0	0	0	0	0	110.7	R298 F299 A343	G296-R298 PolarHBondContact O-N 2.75Å; G296-F299 PolarHBondContact N-O 2.91Å; G296-F299 WeakPolarHBondContact O-CB 3.4Å; G296-F299 WeakPolarHBondContact O-CD2 3.47Å; G296-F299 PolarHBondContact O-N 3.29Å; G296-A343 VanDerWaalsContact CA-CB 3.45Å
297	G	89.8	Confident	91.7	Very high	31 Å²	31	21.5 Å²	21.5	32%	0.32	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-114.3	-174.7	0	0	0	0	0	111.4	R251 N344	R251-G297 PolarHBondContact NH2-O 2.74Å; G297-N344 WeakPolarHBondContact CA-O 3.43Å
298	R	91.1	Very high	90.8	Very high	96 Å²	96	29.6 Å²	29.6	36%	0.362	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.2	173.8	75.1	178.3	-169.1	-164.3	15.3	115.1	G296 D345 D368	G296-R298 PolarHBondContact O-N 2.75Å; R298-D345 VanDerWaalsContact CD-O 3.26Å; R298-D345 WeakPolarHBondContact CD-O 3.08Å; R298-D345 PolarHBondContact N-OD1 3.08Å; R298-D345 PolarHBondContact NE-O 3.12Å; R298-D345 PolarHBondContact NH1-O 2.99Å; R298-D368 PolarHBondContact NH2-O 3Å; R298-D368 IonicContact NH2-OD2 3.41Å
299	F	94.4	Very high	90.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.4	-168.7	-53.8	-83.4	0	0	0	111.8	G296 F301 V316 V318 N344 V348 D368	G296-F299 PolarHBondContact N-O 2.91Å; G296-F299 WeakPolarHBondContact O-CB 3.4Å; G296-F299 WeakPolarHBondContact O-CD2 3.47Å; G296-F299 PolarHBondContact O-N 3.29Å; F299-F301 HydrophobicContact CB-CD2 4.23Å; F299-F301 HydrophobicContact CB-CE1 4.49Å; F299-F301 HydrophobicContact CB-CE2 3.53Å; F299-F301 HydrophobicContact CB-CZ 3.69Å; F299-F301 HydrophobicContact CG-CE2 4.36Å; F299-F301 HydrophobicContact CG-CZ 4.16Å; F299-V316 HydrophobicContact CB-CG2 4.23Å; F299-V316 HydrophobicContact CD1-CG2 3.97Å; F299-V318 HydrophobicContact CD1-CG1 3.47Å; F299-V318 VanDerWaalsContact CD1-CG1 3.47Å; F299-V318 HydrophobicContact CE1-CG1 3.57Å; F299-N344 WeakPolarHBondContact CE2-O 3.36Å; F299-V348 HydrophobicContact CD2-CG2 3.36Å; F299-V348 HydrophobicContact CE2-CG2 3.72Å; F299-V348 HydrophobicContact CG-CG2 4.05Å; F299-D368 VanDerWaalsContact CE1-O 3.29Å; F299-D368 WeakPolarHBondContact CE1-O 3.22Å; F299-D368 WeakPolarHBondContact CZ-O 3.37Å
300	L	95.8	Very high	90	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.3	166.2	169.7	70.3	0	0	0	107.9	F256 L273 F293 L295 V316 S317 W324	F256-L300 HydrophobicContact CD1-CD1 4.14Å; F256-L300 HydrophobicContact CD1-CD2 4.03Å; F256-L300 HydrophobicContact CE1-CD1 4.26Å; F256-L300 HydrophobicContact CE1-CD2 3.53Å; F256-L300 HydrophobicContact CE1-CG 4.49Å; F256-L300 HydrophobicContact CG-CD1 4.29Å; F256-L300 HydrophobicContact CZ-CD2 4.02Å; L273-L300 HydrophobicContact CD2-CD1 4.41Å; L273-L300 HydrophobicContact CD2-CD2 4.46Å; F293-L300 HydrophobicContact CD2-CD1 3.96Å; L295-L300 HydrophobicContact CD2-CB 4.17Å; L295-L300 HydrophobicContact CD2-CD1 3.6Å; L295-L300 HydrophobicContact CD2-CG 4.5Å; L300-V316 CarbonylContact O-C 3.52Å; L300-V316 WeakPolarHBondContact O-CA 3.15Å; L300-S317 PolarHBondContact N-O 2.7Å; L300-S317 PolarHBondContact O-N 2.69Å; L300-W324 HydrophobicContact CD2-CH2 3.48Å; L300-W324 VanDerWaalsContact CD2-CH2 3.48Å; L300-W324 HydrophobicContact CD2-CZ2 3.78Å; L300-W324 HydrophobicContact CD2-CZ3 4.34Å; L300-W324 HydrophobicContact CG-CH2 3.66Å; L300-W324 HydrophobicContact CG-CZ2 4.46Å; L300-W324 HydrophobicContact CG-CZ3 4.22Å
301	F	96.3	Very high	89.8	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.1	176.9	-65	-74.4	0	0	0	110.9	F293 G294 F299 I314 H315 V316 I340 V348 M350 Y373	F293-F301 CarbonylContact C-O 3.3Å; F293-F301 VanDerWaalsContact CA-O 3.25Å; F293-F301 WeakPolarHBondContact CA-O 3.4Å; F293-F301 VanDerWaalsContact CB-O 3.3Å; F293-F301 WeakPolarHBondContact CB-O 3.39Å; G294-F301 PolarHBondContact N-O 3.26Å; G294-F301 PolarHBondContact O-N 2.92Å; F299-F301 HydrophobicContact CB-CD2 4.23Å; F299-F301 HydrophobicContact CB-CE1 4.49Å; F299-F301 HydrophobicContact CB-CE2 3.53Å; F299-F301 HydrophobicContact CB-CZ 3.69Å; F299-F301 HydrophobicContact CG-CE2 4.36Å; F299-F301 HydrophobicContact CG-CZ 4.16Å; F301-I314 HydrophobicContact CB-CG2 4.36Å; F301-I314 HydrophobicContact CD1-CG2 3.57Å; F301-I314 HydrophobicContact CE1-CG2 4.34Å; F301-I314 HydrophobicContact CG-CG2 4.37Å; F301-H315 CarbonylContact C-O 3.56Å; F301-H315 WeakPolarHBondContact CA-O 3.22Å; F301-V316 HydrophobicContact CD1-CB 3.93Å; F301-V316 HydrophobicContact CD1-CG2 3.83Å; F301-V316 HydrophobicContact CE1-CB 3.83Å; F301-V316 HydrophobicContact CE1-CG2 3.44Å; F301-V316 VanDerWaalsContact CE1-CG2 3.44Å; F301-V316 HydrophobicContact CZ-CG2 4.07Å; F301-I340 HydrophobicContact CD2-CD1 3.64Å; F301-I340 HydrophobicContact CD2-CG1 4.44Å; F301-I340 HydrophobicContact CE2-CD1 4.25Å; F301-I340 HydrophobicContact CG-CD1 4.41Å; F301-V348 HydrophobicContact CE2-CB 4.49Å; F301-V348 HydrophobicContact CE2-CG1 4.15Å; F301-V348 HydrophobicContact CE2-CG2 3.9Å; F301-V348 HydrophobicContact CZ-CB 4.15Å; F301-V348 HydrophobicContact CZ-CG1 4.11Å; F301-V348 HydrophobicContact CZ-CG2 3.73Å; F301-M350 HydrophobicContact CD1-CE 4.2Å; F301-M350 HydrophobicContact CD2-CE 4.46Å; F301-M350 HydrophobicContact CE1-CE 4.09Å; F301-M350 HydrophobicContact CE2-CE 4.36Å; F301-M350 HydrophobicContact CG-CE 4.37Å; F301-M350 HydrophobicContact CZ-CE 4.17Å; F301-Y373 WeakPolarHBondContact CE1-OH 3.22Å
302	A	95.4	Very high	89.8	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129	173.3	0	0	0	0	0	110.4	L273 I290 V304 I314 H315 W324	L273-A302 HydrophobicContact CD2-CB 4.25Å; I290-A302 HydrophobicContact CD1-CB 4.19Å; A302-V304 HydrophobicContact CB-CG2 4.29Å; A302-I314 WeakPolarHBondContact O-CA 3.3Å; A302-H315 PolarHBondContact N-O 2.76Å; A302-H315 PolarHBondContact O-N 2.8Å; A302-W324 HydrophobicContact CB-CH2 3.64Å; A302-W324 HydrophobicContact CB-CZ3 3.65Å
303	S	94.2	Very high	89.7	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.4	176.8	-166.1	0	0	0	0	108.2	F291 S292 R312 D819	F291-S303 PolarHBondContact N-O 3.02Å; S292-S303 PolarHBondContact O-N 2.93Å; S303-R312 WeakPolarHBondContact OG-CD 3.25Å; S303-R312 PolarHBondContact OG-NE 2.87Å; S303-D819 WeakPolarHBondContact CB-OD1 3.34Å; S303-D819 WeakPolarHBondContact CB-OD2 3.37Å; S303-D819 PolarHBondContact OG-OD1 2.95Å; S303-D819 PolarHBondContact OG-OD2 2.96Å
304	V	92.1	Very high	89.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.8	-167.9	-171	0	0	0	0	111.4	I290 A302 T306 R312 V313 H315 V734	I290-V304 HydrophobicContact CD1-CG2 3.81Å; A302-V304 HydrophobicContact CB-CG2 4.29Å; V304-T306 PolarHBondContact O-N 2.81Å; V304-R312 VanDerWaalsContact O-CA 3.3Å; V304-R312 WeakPolarHBondContact O-CA 3.49Å; V304-V313 PolarHBondContact N-O 3.08Å; V304-V313 PolarHBondContact O-N 3.04Å; V304-H315 HydrophobicContact CG2-CB 4.15Å; V304-H315 VanDerWaalsContact CG2-ND1 3.34Å; V304-H315 WeakPolarHBondContact CG2-ND1 3.49Å; V304-V734 HydrophobicContact CG1-CG2 4.37Å
305	M	88.7	Confident	89.5	Confident	36 Å²	36	35.7 Å²	35.7	18%	0.177	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128	177.6	-60.9	-58.4	-69.7	0	0	111.9	G269 K289 F291 G307 R312	G269-M305 WeakPolarHBondContact O-CG 3.34Å; K289-M305 PolarHBondContact O-N 3.18Å; F291-M305 HydrophobicContact CD2-SD 4.15Å; M305-G307 PolarHBondContact O-N 3.06Å; M305-R312 HydrophobicContact SD-CB 3.84Å
306	T	83.4	Confident	89.5	Confident	35 Å²	35	34.2 Å²	34.2	22%	0.215	21%	0.21	C	C	.	.			trans	-71	-13.9	179.6	62.6	0	0	0	0	114.2	V304 K308 M311 V313	V304-T306 PolarHBondContact O-N 2.81Å; T306-K308 PolarHBondContact O-N 2.97Å; T306-K308 PolarHBondContact OG1-N 2.81Å; T306-M311 WeakPolarHBondContact CB-O 3.3Å; T306-M311 HydrophobicContact CG2-CB 4.42Å; T306-M311 WeakPolarHBondContact CG2-O 3.39Å; T306-M311 PolarHBondContact N-O 2.93Å; T306-M311 PolarHBondContact OG1-O 3.13Å; T306-V313 HydrophobicContact CG2-CG1 3.95Å; T306-V313 HydrophobicContact CG2-CG2 3.94Å
307	G	78.1	Confident	89.6	Confident	66 Å²	66	33.9 Å²	33.9	68%	0.68	21%	0.207	S	C	*	.	S	Bend	trans	70.9	3.8	-170	0	0	0	0	0	114.7	M305	M305-G307 PolarHBondContact O-N 3.06Å
308	K	73.3	Confident	89.7	Confident	175 Å²	175	35.7 Å²	35.7	76%	0.761	21%	0.211	S	C	*	.	S	Bend	trans	-107.8	85.2	177.1	-67.1	178.7	-176.7	171.3	0	109.6	T306	T306-K308 PolarHBondContact O-N 2.97Å; T306-K308 PolarHBondContact OG1-N 2.81Å
309	G	79.8	Confident	89.7	Confident	67 Å²	67	33.7 Å²	33.7	69%	0.691	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	-143.6	-171.1	0	0	0	0	0	111.4	M311	G309-M311 VanDerWaalsContact C-N 3.35Å
310	T	83.8	Confident	89.6	Confident	87 Å²	87	36.4 Å²	36.4	53%	0.534	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.8	-178.5	46.6	0	0	0	0	114.3
311	M	88.6	Confident	89.4	Confident	80 Å²	80	36.2 Å²	36.2	39%	0.394	22%	0.22	S	C	.	.			trans	-74.2	134.5	-173.9	-66.5	-65.5	179.8	0	0	112.9	T306 G309 V332	T306-M311 WeakPolarHBondContact CB-O 3.3Å; T306-M311 HydrophobicContact CG2-CB 4.42Å; T306-M311 WeakPolarHBondContact CG2-O 3.39Å; T306-M311 PolarHBondContact N-O 2.93Å; T306-M311 PolarHBondContact OG1-O 3.13Å; G309-M311 VanDerWaalsContact C-N 3.35Å; M311-V332 WeakPolarHBondContact CA-O 3.41Å; M311-V332 VanDerWaalsContact SD-C 3.57Å
312	R	91.6	Very high	89.1	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.4	178.1	70	-168.5	-163.9	-86.3	5.1	113.2	S303 V304 M305 P331 V332 G333 Q336 Y338 D819	S303-R312 WeakPolarHBondContact OG-CD 3.25Å; S303-R312 PolarHBondContact OG-NE 2.87Å; V304-R312 VanDerWaalsContact O-CA 3.3Å; V304-R312 WeakPolarHBondContact O-CA 3.49Å; M305-R312 HydrophobicContact SD-CB 3.84Å; R312-P331 WeakPolarHBondContact O-CA 3.49Å; R312-V332 HydrophobicContact CG-CG2 3.73Å; R312-V332 PolarHBondContact N-O 2.94Å; R312-V332 PolarHBondContact O-N 2.89Å; R312-V332 VanDerWaalsContact O-N 3.08Å; R312-G333 PolarHBondContact NH1-O 2.97Å; R312-Q336 VanDerWaalsContact CZ-O 3.27Å; R312-Q336 PolarHBondContact NH1-O 2.87Å; R312-Q336 PolarHBondContact NH2-O 3.09Å; R312-Y338 HydrophobicContact CG-CE2 4.38Å; R312-Y338 PolarHBondContact O-OH 3.29Å; R312-D819 IonicContact CZ-OD2 2.7Å; R312-D819 IonicContact NE-OD2 2.8Å; R312-D819 PolarHBondContact NE-OD2 3.13Å; R312-D819 IonicContact NH2-OD2 2.82Å; R312-D819 PolarHBondContact NH2-OD2 3.18Å
313	V	92	Very high	88.7	Confident	15 Å²	15	44.6 Å²	44.6	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.8	-177.8	-70.6	0	0	0	0	111.6	V304 T306 H315 M326 P331	V304-V313 PolarHBondContact N-O 3.08Å; V304-V313 PolarHBondContact O-N 3.04Å; T306-V313 HydrophobicContact CG2-CG1 3.95Å; T306-V313 HydrophobicContact CG2-CG2 3.94Å; V313-H315 PolarHBondContact O-ND1 2.87Å; V313-M326 HydrophobicContact CG2-CE 4.25Å; V313-P331 HydrophobicContact CG1-CB 3.65Å
314	I	93.8	Very high	88.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.4	173.2	-62.8	-57	0	0	0	110.5	F301 A302 A327 L329 Y338	F301-I314 HydrophobicContact CB-CG2 4.36Å; F301-I314 HydrophobicContact CD1-CG2 3.57Å; F301-I314 HydrophobicContact CE1-CG2 4.34Å; F301-I314 HydrophobicContact CG-CG2 4.37Å; A302-I314 WeakPolarHBondContact O-CA 3.3Å; I314-A327 HydrophobicContact CB-CB 3.95Å; I314-A327 HydrophobicContact CG2-CB 3.82Å; I314-A327 WeakPolarHBondContact O-CB 3.3Å; I314-A327 PolarHBondContact O-N 2.89Å; I314-L329 HydrophobicContact CB-CD1 4.25Å; I314-L329 HydrophobicContact CG1-CD1 4.26Å; I314-Y338 HydrophobicContact CD1-CD2 3.46Å; I314-Y338 VanDerWaalsContact CD1-CD2 3.46Å; I314-Y338 HydrophobicContact CD1-CE2 3.79Å; I314-Y338 HydrophobicContact CD1-CG 3.88Å; I314-Y338 HydrophobicContact CG1-CD1 3.97Å; I314-Y338 HydrophobicContact CG1-CD2 3.68Å; I314-Y338 HydrophobicContact CG1-CE1 4Å; I314-Y338 HydrophobicContact CG1-CE2 3.7Å; I314-Y338 HydrophobicContact CG1-CG 3.81Å
315	H	92.4	Very high	88.2	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.023	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.7	160.2	-68.6	65.8	0	0	0	109.1	F301 A302 V304 V313 W324 N325	F301-H315 CarbonylContact C-O 3.56Å; F301-H315 WeakPolarHBondContact CA-O 3.22Å; A302-H315 PolarHBondContact N-O 2.76Å; A302-H315 PolarHBondContact O-N 2.8Å; V304-H315 HydrophobicContact CG2-CB 4.15Å; V304-H315 VanDerWaalsContact CG2-ND1 3.34Å; V304-H315 WeakPolarHBondContact CG2-ND1 3.49Å; V313-H315 PolarHBondContact O-ND1 2.87Å; H315-W324 HydrophobicContact CB-CE3 3.9Å; H315-W324 HydrophobicContact CB-CZ3 4.48Å; H315-N325 CarbonylContact C-O 3.58Å; H315-N325 WeakPolarHBondContact CA-O 3.38Å; H315-N325 WeakPolarHBondContact CB-O 3.03Å
316	V	94.4	Very high	88.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.5	-177.6	67.4	0	0	0	0	111.1	F299 L300 F301 W324 N325 G370 T371	F299-V316 HydrophobicContact CB-CG2 4.23Å; F299-V316 HydrophobicContact CD1-CG2 3.97Å; L300-V316 CarbonylContact O-C 3.52Å; L300-V316 WeakPolarHBondContact O-CA 3.15Å; F301-V316 HydrophobicContact CD1-CB 3.93Å; F301-V316 HydrophobicContact CD1-CG2 3.83Å; F301-V316 HydrophobicContact CE1-CB 3.83Å; F301-V316 HydrophobicContact CE1-CG2 3.44Å; F301-V316 VanDerWaalsContact CE1-CG2 3.44Å; F301-V316 HydrophobicContact CZ-CG2 4.07Å; V316-W324 WeakPolarHBondContact O-CA 3.44Å; V316-N325 HydrophobicContact CG1-CB 3.97Å; V316-N325 PolarHBondContact N-O 2.81Å; V316-N325 PolarHBondContact O-N 3.38Å; V316-G370 WeakPolarHBondContact CG1-O 3.49Å; V316-T371 WeakPolarHBondContact CG1-OG1 3.41Å
317	S	93.4	Very high	88.4	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.6	169.3	178.6	0	0	0	0	110.8	L300 D319 G321 N323	L300-S317 PolarHBondContact N-O 2.7Å; L300-S317 PolarHBondContact O-N 2.69Å; S317-D319 PolarHBondContact OG-N 3.02Å; S317-D319 PolarHBondContact OG-OD1 3.15Å; S317-G321 WeakPolarHBondContact OG-CA 3.38Å; S317-G321 PolarHBondContact OG-N 2.66Å; S317-N323 WeakPolarHBondContact CB-O 3.21Å; S317-N323 PolarHBondContact OG-O 2.87Å
318	V	92.3	Very high	88.7	Confident	69 Å²	69	45.3 Å²	45.3	42%	0.418	25%	0.245	S	C	.	.	S	Bend	trans	-108.3	-0.7	173.4	-66.8	0	0	0	0	112.8	F299	F299-V318 HydrophobicContact CD1-CG1 3.47Å; F299-V318 VanDerWaalsContact CD1-CG1 3.47Å; F299-V318 HydrophobicContact CE1-CG1 3.57Å
319	D	91.1	Very high	89.5	Confident	55 Å²	55	37.7 Å²	37.7	29%	0.294	21%	0.213	S	C	.	.	S	Bend	trans	-119.6	29.2	-176.3	65.8	11.6	0	0	0	112.6	S317 G321 E322 N323	S317-D319 PolarHBondContact OG-N 3.02Å; S317-D319 PolarHBondContact OG-OD1 3.15Å; D319-G321 VanDerWaalsContact C-N 3.3Å; D319-G321 PolarHBondContact O-N 2.88Å; D319-E322 HydrophobicContact CB-CB 4.47Å; D319-E322 PolarHBondContact OD1-N 2.93Å; D319-N323 PolarHBondContact OD1-N 2.54Å; D319-N323 WeakPolarHBondContact OD2-CB 3.42Å; D319-N323 PolarHBondContact OD2-N 3.03Å; D319-N323 PolarHBondContact OD2-ND2 3.24Å
320	Q	91.8	Very high	90	Very high	58 Å²	58	36.9 Å²	36.9	27%	0.271	20%	0.196	S	C	.	.	S	Bend	trans	63.7	28.1	-179.9	-56.8	-174	-9.2	0	0	114	R251 T254 F256 R275	R251-Q320 PolarHBondContact O-NE2 3.13Å; T254-Q320 PolarHBondContact OG1-OE1 2.92Å; F256-Q320 HydrophobicContact CE1-CB 4.37Å; F256-Q320 WeakPolarHBondContact CE1-O 3.41Å; F256-Q320 HydrophobicContact CZ-CB 3.79Å; F256-Q320 HydrophobicContact CZ-CG 4.21Å; R275-Q320 VanDerWaalsContact CD-O 3.27Å; R275-Q320 WeakPolarHBondContact CD-O 3.25Å; R275-Q320 PolarHBondContact NH1-O 2.87Å
321	G	90.9	Very high	90.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	80.3	32.2	-179.6	0	0	0	0	0	113.6	V286 S317 D319	V286-G321 WeakPolarHBondContact CB-O 3.35Å; V286-G321 VanDerWaalsContact CG1-O 3.29Å; V286-G321 WeakPolarHBondContact CG1-O 3.22Å; S317-G321 WeakPolarHBondContact OG-CA 3.38Å; S317-G321 PolarHBondContact OG-N 2.66Å; D319-G321 VanDerWaalsContact C-N 3.3Å; D319-G321 PolarHBondContact O-N 2.88Å
322	E	89.8	Confident	90.4	Very high	92 Å²	92	32.5 Å²	32.5	43%	0.43	17%	0.174	S	C	.	.	S	Bend	trans	-79.1	-43.3	160.7	-66.9	-57.6	120.2	0	0	110.4	R275 K284 D319	R275-E322 IonicContact CZ-OE1 2.69Å; R275-E322 IonicContact NH1-OE1 3.17Å; R275-E322 PolarHBondContact NH1-OE1 2.98Å; R275-E322 IonicContact NH2-OE1 3.25Å; R275-E322 PolarHBondContact NH2-OE1 2.96Å; K284-E322 IonicContact NZ-OE1 2.76Å; K284-E322 PolarHBondContact NZ-OE1 2.79Å; K284-E322 IonicContact NZ-OE2 2.77Å; K284-E322 PolarHBondContact NZ-OE2 2.99Å; D319-E322 HydrophobicContact CB-CB 4.47Å; D319-E322 PolarHBondContact OD1-N 2.93Å
323	N	88.1	Confident	90.3	Very high	85 Å²	85	32.7 Å²	32.7	46%	0.455	18%	0.178	S	C	.	.	S	Bend	trans	-125.1	153	173.1	-59.4	-86.5	0	0	0	110.9	S317 D319	S317-N323 WeakPolarHBondContact CB-O 3.21Å; S317-N323 PolarHBondContact OG-O 2.87Å; D319-N323 PolarHBondContact OD1-N 2.54Å; D319-N323 WeakPolarHBondContact OD2-CB 3.42Å; D319-N323 PolarHBondContact OD2-N 3.03Å; D319-N323 PolarHBondContact OD2-ND2 3.24Å
324	W	87.9	Confident	90	Very high	26 Å²	26	36.5 Å²	36.5	10%	0.098	20%	0.195	C	C	.	.			trans	-132	141	179.8	-67.3	94.2	0	0	0	111.3	L273 V286 A287 L300 A302 H315 V316 V734	L273-W324 HydrophobicContact CD2-CH2 3.78Å; L273-W324 HydrophobicContact CD2-CZ2 3.94Å; V286-W324 HydrophobicContact CB-CZ2 4.44Å; V286-W324 HydrophobicContact CG2-CZ2 4.17Å; V286-W324 PolarHBondContact O-NE1 2.94Å; A287-W324 HydrophobicContact CB-CZ2 3.92Å; L300-W324 HydrophobicContact CD2-CH2 3.48Å; L300-W324 VanDerWaalsContact CD2-CH2 3.48Å; L300-W324 HydrophobicContact CD2-CZ2 3.78Å; L300-W324 HydrophobicContact CD2-CZ3 4.34Å; L300-W324 HydrophobicContact CG-CH2 3.66Å; L300-W324 HydrophobicContact CG-CZ2 4.46Å; L300-W324 HydrophobicContact CG-CZ3 4.22Å; A302-W324 HydrophobicContact CB-CH2 3.64Å; A302-W324 HydrophobicContact CB-CZ3 3.65Å; H315-W324 HydrophobicContact CB-CE3 3.9Å; H315-W324 HydrophobicContact CB-CZ3 4.48Å; V316-W324 WeakPolarHBondContact O-CA 3.44Å; W324-V734 HydrophobicContact CB-CG1 4.13Å; W324-V734 HydrophobicContact CG-CG1 3.85Å
325	N	86.8	Confident	89.7	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.4	171.6	-62.8	-50.9	0	0	0	109.4	H315 V316 T371 L692 H693	H315-N325 CarbonylContact C-O 3.58Å; H315-N325 WeakPolarHBondContact CA-O 3.38Å; H315-N325 WeakPolarHBondContact CB-O 3.03Å; V316-N325 HydrophobicContact CG1-CB 3.97Å; V316-N325 PolarHBondContact N-O 2.81Å; V316-N325 PolarHBondContact O-N 3.38Å; N325-T371 HydrophobicContact CB-CG2 3.83Å; N325-L692 HydrophobicContact CB-CD2 4.09Å; N325-L692 WeakPolarHBondContact OD1-CA 3.28Å; N325-H693 PolarHBondContact ND2-NE2 2.89Å; N325-H693 VanDerWaalsContact ND2-NE2 3.11Å; N325-H693 PolarHBondContact OD1-CD2 3.4Å; N325-H693 PolarHBondContact OD1-N 3.16Å; N325-H693 PolarHBondContact OD1-NE2 3.39Å
326	M	86.6	Confident	89.7	Confident	68 Å²	68	45.6 Å²	45.6	34%	0.335	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.4	174.1	-177.3	176.9	-71	0	0	108.4	V313 T371	V313-M326 HydrophobicContact CG2-CE 4.25Å; M326-T371 WeakPolarHBondContact O-CG2 3.16Å
327	A	89.9	Confident	89.6	Confident	5 Å²	5	46.2 Å²	46.2	4%	0.041	24%	0.24	C	C	.	.			trans	-67.3	138.1	176.5	0	0	0	0	0	110	I314 L329 Y373	I314-A327 HydrophobicContact CB-CB 3.95Å; I314-A327 HydrophobicContact CG2-CB 3.82Å; I314-A327 WeakPolarHBondContact O-CB 3.3Å; I314-A327 PolarHBondContact O-N 2.89Å; A327-L329 HydrophobicContact CB-CD1 4.02Å; A327-L329 HydrophobicContact CB-CG 4.24Å; A327-L329 PolarHBondContact O-N 3.23Å; A327-Y373 HydrophobicContact CB-CD2 4.32Å; A327-Y373 HydrophobicContact CB-CE2 3.81Å
328	Q	85.5	Confident	89.7	Confident	46 Å²	46	46.2 Å²	46.2	22%	0.215	24%	0.239	C	C	.	.	S	Bend	trans	-78.2	49.8	-179.7	-179.9	-117	-71.8	0	0	111.6	T371 Y373 F666	Q328-T371 WeakPolarHBondContact CB-O 3.27Å; Q328-T371 PolarHBondContact N-O 3.32Å; Q328-Y373 PolarHBondContact NE2-O 2.68Å; Q328-Y373 PolarHBondContact OE1-O 3.29Å; Q328-F666 HydrophobicContact CG-CD2 3.91Å; Q328-F666 HydrophobicContact CG-CE2 3.88Å; Q328-F666 HydrophobicContact CG-CG 4.38Å; Q328-F666 HydrophobicContact CG-CZ 4.32Å; Q328-F666 VanDerWaalsContact OE1-CD2 3.24Å
329	L	90.1	Very high	89.8	Confident	15 Å²	15	43.2 Å²	43.2	8%	0.079	22%	0.222	C	C	.	.	S	Bend	trans	-107	155.1	179.9	-66.1	168.4	0	0	0	110.7	I314 A327 Y338 M350 V352 Y364 Y373	I314-L329 HydrophobicContact CB-CD1 4.25Å; I314-L329 HydrophobicContact CG1-CD1 4.26Å; A327-L329 HydrophobicContact CB-CD1 4.02Å; A327-L329 HydrophobicContact CB-CG 4.24Å; A327-L329 PolarHBondContact O-N 3.23Å; L329-Y338 HydrophobicContact CB-CE1 4.41Å; L329-M350 HydrophobicContact CD1-CG 3.78Å; L329-V352 HydrophobicContact CD2-CG2 4.03Å; L329-Y364 HydrophobicContact CD2-CD1 4.22Å; L329-Y364 HydrophobicContact CD2-CD2 4.04Å; L329-Y364 HydrophobicContact CD2-CG 3.77Å; L329-Y373 HydrophobicContact CD1-CD2 4.29Å; L329-Y373 HydrophobicContact CD1-CE1 4.48Å; L329-Y373 HydrophobicContact CD1-CE2 4.05Å; L329-Y373 HydrophobicContact CD2-CD1 3.82Å; L329-Y373 HydrophobicContact CD2-CD2 3.96Å; L329-Y373 HydrophobicContact CD2-CE1 4.32Å; L329-Y373 HydrophobicContact CD2-CE2 4.46Å; L329-Y373 HydrophobicContact CD2-CG 3.6Å; L329-Y373 HydrophobicContact CG-CD1 4.48Å; L329-Y373 HydrophobicContact CG-CD2 3.83Å; L329-Y373 HydrophobicContact CG-CE2 4.1Å; L329-Y373 HydrophobicContact CG-CG 4.03Å
330	P	89.6	Confident	90	Very high	51 Å²	51	41.7 Å²	41.7	33%	0.331	21%	0.213	S	C	.	.			trans	-58.6	137.5	172.3	-21.4	32.9	0	0	0	111.3	Y338 V352	P330-Y338 PolarHBondContact O-OH 3.2Å; P330-V352 HydrophobicContact CB-CG1 4.46Å; P330-V352 HydrophobicContact CG-CG1 4.43Å
331	P	89.9	Confident	90.2	Very high	74 Å²	74	40.1 Å²	40.1	48%	0.481	21%	0.206	S	C	.	.			trans	-68.7	138.5	171.2	29.4	-34	0	0	0	110.6	R312 V313	R312-P331 WeakPolarHBondContact O-CA 3.49Å; V313-P331 HydrophobicContact CG1-CB 3.65Å
332	V	91.4	Very high	90.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-113	146.7	-176.2	-58	0	0	0	0	112.3	M311 R312 Q336 Y338 V352	M311-V332 WeakPolarHBondContact CA-O 3.41Å; M311-V332 VanDerWaalsContact SD-C 3.57Å; R312-V332 HydrophobicContact CG-CG2 3.73Å; R312-V332 PolarHBondContact N-O 2.94Å; R312-V332 PolarHBondContact O-N 2.89Å; R312-V332 VanDerWaalsContact O-N 3.08Å; V332-Q336 HydrophobicContact CB-CB 3.84Å; V332-Q336 HydrophobicContact CG1-CB 4.4Å; V332-Y338 HydrophobicContact CB-CE2 4.38Å; V332-Y338 HydrophobicContact CG1-CD1 4.36Å; V332-Y338 HydrophobicContact CG1-CE1 3.71Å; V332-Y338 HydrophobicContact CG1-CE2 4.24Å; V332-Y338 HydrophobicContact CG2-CD2 3.94Å; V332-Y338 HydrophobicContact CG2-CE1 4.34Å; V332-Y338 HydrophobicContact CG2-CE2 3.3Å; V332-V352 HydrophobicContact CG1-CG1 3.75Å
333	G	89.6	Confident	90.5	Very high	9 Å²	9	38.4 Å²	38.4	9%	0.093	21%	0.208	C	C	.	.			trans	-77.3	176	172.9	0	0	0	0	0	112.8	R312 E335 Q336	R312-G333 PolarHBondContact NH1-O 2.97Å; G333-E335 VanDerWaalsContact C-N 3.31Å; G333-E335 PolarHBondContact O-N 3.43Å; G333-Q336 PolarHBondContact O-N 2.63Å
334	H	85.8	Confident	90.5	Very high	95 Å²	95	37.2 Å²	37.2	44%	0.44	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.2	-176.3	-174.4	34.9	0	0	0	113.9	F291 Q336	F291-H334 AromaticContact CE2-CE1 3.95Å; F291-H334 AromaticContact CE2-ND1 3.69Å; F291-H334 AromaticContact CZ-CE1 3.94Å; F291-H334 AromaticContact CZ-ND1 3.78Å; H334-Q336 VanDerWaalsContact C-N 3.26Å; H334-Q336 PolarHBondContact O-N 2.94Å
335	E	87.1	Confident	90.4	Very high	174 Å²	174	39.2 Å²	39.2	81%	0.813	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.3	-179.7	-63.1	169.1	168.6	0	0	113.2	G333	G333-E335 VanDerWaalsContact C-N 3.31Å; G333-E335 PolarHBondContact O-N 3.43Å
336	Q	92.3	Very high	90.4	Very high	23 Å²	23	42 Å²	42	11%	0.107	23%	0.229	C	C	.	.			trans	-109	161.4	179.9	-67.5	173.8	-89.8	0	0	111.3	R312 V332 G333 H334 D353	R312-Q336 VanDerWaalsContact CZ-O 3.27Å; R312-Q336 PolarHBondContact NH1-O 2.87Å; R312-Q336 PolarHBondContact NH2-O 3.09Å; V332-Q336 HydrophobicContact CB-CB 3.84Å; V332-Q336 HydrophobicContact CG1-CB 4.4Å; G333-Q336 PolarHBondContact O-N 2.63Å; H334-Q336 VanDerWaalsContact C-N 3.26Å; H334-Q336 PolarHBondContact O-N 2.94Å; Q336-D353 VanDerWaalsContact CA-OD2 3.29Å; Q336-D353 WeakPolarHBondContact CA-OD2 3.35Å; Q336-D353 HydrophobicContact CB-CB 4.29Å; Q336-D353 WeakPolarHBondContact CB-OD2 3.32Å; Q336-D353 WeakPolarHBondContact CG-OD2 3.4Å; Q336-D353 PolarHBondContact NE2-O 3.45Å
337	F	92.4	Very high	90.6	Very high	14 Å²	14	38.9 Å²	38.9	6%	0.061	21%	0.214	C	C	.	.			trans	-132.7	168.3	-178.9	64.4	-79.7	0	0	0	114.2	H351 D353 Y382	F337-H351 AromaticContact CE2-CD2 3.63Å; F337-H351 AromaticContact CZ-CD2 3.94Å; F337-D353 HydrophobicContact CD1-CB 3.7Å; F337-D353 HydrophobicContact CE1-CB 3.59Å; F337-D353 HydrophobicContact CG-CB 4.23Å; F337-D353 HydrophobicContact CZ-CB 4.05Å; F337-D353 PolarHBondContact O-N 2.82Å; F337-Y382 HydrophobicContact CD2-CE1 4.42Å; F337-Y382 AromaticContact CE2-CD1 3.46Å; F337-Y382 HydrophobicContact CE2-CD1 3.46Å; F337-Y382 VanDerWaalsContact CE2-CD1 3.46Å; F337-Y382 HydrophobicContact CE2-CD2 4.19Å; F337-Y382 AromaticContact CE2-CE1 3.44Å; F337-Y382 HydrophobicContact CE2-CE1 3.44Å; F337-Y382 VanDerWaalsContact CE2-CE1 3.44Å; F337-Y382 HydrophobicContact CE2-CE2 4.19Å; F337-Y382 AromaticContact CE2-CG 3.85Å; F337-Y382 HydrophobicContact CE2-CG 3.85Å; F337-Y382 AromaticContact CE2-CZ 3.84Å; F337-Y382 AromaticContact CZ-CD1 3.34Å; F337-Y382 HydrophobicContact CZ-CD1 3.34Å; F337-Y382 AromaticContact CZ-CE1 3.78Å; F337-Y382 HydrophobicContact CZ-CE1 3.78Å; F337-Y382 AromaticContact CZ-CG 3.78Å; F337-Y382 HydrophobicContact CZ-CG 3.78Å
338	Y	94.7	Very high	90.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.1	164.8	-57.7	-79.4	0	0	0	107.6	R312 I314 L329 P330 V332 H351 V352	R312-Y338 HydrophobicContact CG-CE2 4.38Å; R312-Y338 PolarHBondContact O-OH 3.29Å; I314-Y338 HydrophobicContact CD1-CD2 3.46Å; I314-Y338 VanDerWaalsContact CD1-CD2 3.46Å; I314-Y338 HydrophobicContact CD1-CE2 3.79Å; I314-Y338 HydrophobicContact CD1-CG 3.88Å; I314-Y338 HydrophobicContact CG1-CD1 3.97Å; I314-Y338 HydrophobicContact CG1-CD2 3.68Å; I314-Y338 HydrophobicContact CG1-CE1 4Å; I314-Y338 HydrophobicContact CG1-CE2 3.7Å; I314-Y338 HydrophobicContact CG1-CG 3.81Å; L329-Y338 HydrophobicContact CB-CE1 4.41Å; P330-Y338 PolarHBondContact O-OH 3.2Å; V332-Y338 HydrophobicContact CB-CE2 4.38Å; V332-Y338 HydrophobicContact CG1-CD1 4.36Å; V332-Y338 HydrophobicContact CG1-CE1 3.71Å; V332-Y338 HydrophobicContact CG1-CE2 4.24Å; V332-Y338 HydrophobicContact CG2-CD2 3.94Å; V332-Y338 HydrophobicContact CG2-CE1 4.34Å; V332-Y338 HydrophobicContact CG2-CE2 3.3Å; Y338-H351 WeakPolarHBondContact CA-O 3.4Å; Y338-V352 HydrophobicContact CD1-CB 4.48Å; Y338-V352 HydrophobicContact CD1-CG1 4.25Å; Y338-V352 HydrophobicContact CD1-CG2 4Å; Y338-V352 HydrophobicContact CE1-CG1 4.06Å; Y338-V352 HydrophobicContact CE1-CG2 4.16Å
339	S	95.1	Very high	91.3	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.1	172.3	-179.8	0	0	0	0	112	L341 H351 Y382 D817	S339-L341 PolarHBondContact O-N 3.38Å; S339-H351 PolarHBondContact N-O 2.91Å; S339-H351 PolarHBondContact O-N 3.37Å; S339-Y382 WeakPolarHBondContact CB-OH 3.47Å; S339-Y382 PolarHBondContact OG-OH 3.32Å; S339-Y382 VanDerWaalsContact OG-OH 3.05Å; S339-D817 WeakPolarHBondContact CB-OD1 3.35Å; S339-D817 PolarHBondContact OG-OD1 2.97Å
340	I	95.8	Very high	91.6	Very high	22 Å²	22	36 Å²	36	11%	0.113	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	83	-177.4	-57.7	173.1	0	0	0	108.1	F301 A342 A343 V348 M350	F301-I340 HydrophobicContact CD2-CD1 3.64Å; F301-I340 HydrophobicContact CD2-CG1 4.44Å; F301-I340 HydrophobicContact CE2-CD1 4.25Å; F301-I340 HydrophobicContact CG-CD1 4.41Å; I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 2.87Å; I340-A343 HydrophobicContact CG2-CB 3.97Å; I340-V348 HydrophobicContact CG2-CG1 3.91Å; I340-M350 HydrophobicContact CG1-CE 3.99Å; I340-M350 HydrophobicContact CG1-SD 4.17Å
341	L	95.3	Very high	92	Very high	26 Å²	26	33.5 Å²	33.5	14%	0.136	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-38	-174.4	-62.8	176.1	0	0	0	113.4	S339 F349 H351 I363 Y382 T389 F391	S339-L341 PolarHBondContact O-N 3.38Å; L341-F349 HydrophobicContact CB-CB 4.05Å; L341-F349 PolarHBondContact N-O 2.67Å; L341-F349 VanDerWaalsContact N-O 3.12Å; L341-H351 HydrophobicContact CD1-CB 4Å; L341-H351 HydrophobicContact CD2-CB 4.16Å; L341-H351 HydrophobicContact CG-CB 3.97Å; L341-I363 HydrophobicContact CD1-CD1 3.86Å; L341-I363 HydrophobicContact CD1-CG1 3.77Å; L341-I363 HydrophobicContact CD1-CG2 4.22Å; L341-Y382 HydrophobicContact CD2-CD2 4.11Å; L341-Y382 HydrophobicContact CD2-CE2 3.76Å; L341-T389 HydrophobicContact CD2-CG2 4.26Å; L341-F391 HydrophobicContact CB-CD1 3.75Å; L341-F391 HydrophobicContact CB-CD2 4.35Å; L341-F391 HydrophobicContact CB-CE1 3.81Å; L341-F391 HydrophobicContact CB-CE2 4.39Å; L341-F391 HydrophobicContact CB-CG 4.04Å; L341-F391 HydrophobicContact CB-CZ 4.14Å; L341-F391 HydrophobicContact CD1-CD2 3.93Å; L341-F391 HydrophobicContact CD1-CE2 4.2Å; L341-F391 HydrophobicContact CD1-CG 4.22Å; L341-F391 HydrophobicContact CD2-CB 4.18Å; L341-F391 HydrophobicContact CD2-CG 4.29Å; L341-F391 HydrophobicContact CG-CG 4.42Å
342	A	93.8	Very high	92.3	Very high	21 Å²	21	30.3 Å²	30.3	17%	0.174	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	144.9	170.3	0	0	0	0	0	110.7	I340 V348 F349 F391 F401	I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 2.87Å; A342-V348 WeakPolarHBondContact O-CA 3.32Å; A342-F349 HydrophobicContact CB-CD2 4Å; A342-F349 PolarHBondContact O-N 2.99Å; A342-F391 HydrophobicContact CB-CE1 3.92Å; A342-F391 HydrophobicContact CB-CZ 4.5Å; A342-F401 HydrophobicContact CB-CE1 4.3Å
343	A	92.6	Very high	92.5	Very high	35 Å²	35	30.6 Å²	30.6	29%	0.289	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.5	178.3	0	0	0	0	0	111.8	G296 I340 V348	G296-A343 VanDerWaalsContact CA-CB 3.45Å; I340-A343 HydrophobicContact CG2-CB 3.97Å; A343-V348 HydrophobicContact CB-CB 4.36Å; A343-V348 HydrophobicContact CB-CG1 4.16Å; A343-V348 HydrophobicContact CB-CG2 3.71Å
344	N	88	Confident	92.7	Very high	61 Å²	61	34 Å²	34	33%	0.326	18%	0.177	S	C	.	.			trans	-132.6	-169.5	173.1	66.6	22.4	0	0	0	110.3	G297 F299 D346 M347	G297-N344 WeakPolarHBondContact CA-O 3.43Å; F299-N344 WeakPolarHBondContact CE2-O 3.36Å; N344-D346 PolarHBondContact O-N 3.35Å; N344-D346 WeakPolarHBondContact OD1-CA 3.41Å; N344-D346 WeakPolarHBondContact OD1-CB 3.07Å; N344-D346 PolarHBondContact OD1-N 3.1Å; N344-M347 PolarHBondContact N-O 2.77Å; N344-M347 PolarHBondContact OD1-N 2.85Å; N344-M347 PolarHBondContact OD1-O 2.83Å
345	D	86.5	Confident	92.9	Very high	67 Å²	67	33.6 Å²	33.6	36%	0.358	18%	0.182	S	C	.	.	S	Bend	trans	-79	-5.3	-179.1	-81.3	25.3	0	0	0	113.7	R251 R298	R251-D345 IonicContact CZ-OD1 2.88Å; R251-D345 IonicContact CZ-OD2 2.79Å; R251-D345 IonicContact NH1-OD1 3.28Å; R251-D345 PolarHBondContact NH1-OD1 2.96Å; R251-D345 IonicContact NH1-OD2 3.61Å; R251-D345 PolarHBondContact NH1-OD2 3.04Å; R251-D345 IonicContact NH2-OD1 2.75Å; R251-D345 PolarHBondContact NH2-OD1 3.03Å; R251-D345 IonicContact NH2-OD2 2.74Å; R298-D345 VanDerWaalsContact CD-O 3.26Å; R298-D345 WeakPolarHBondContact CD-O 3.08Å; R298-D345 PolarHBondContact N-OD1 3.08Å; R298-D345 PolarHBondContact NE-O 3.12Å; R298-D345 PolarHBondContact NH1-O 2.99Å
346	D	87.3	Confident	93	Very high	68 Å²	68	27 Å²	27	36%	0.364	16%	0.161	S	C	.	.	S	Bend	trans	-105.2	-34.9	179.6	-68.4	-46.8	0	0	0	113.3	N344 D368 P708	N344-D346 PolarHBondContact O-N 3.35Å; N344-D346 WeakPolarHBondContact OD1-CA 3.41Å; N344-D346 WeakPolarHBondContact OD1-CB 3.07Å; N344-D346 PolarHBondContact OD1-N 3.1Å; D346-D368 VanDerWaalsContact O-CA 3.27Å; D346-D368 WeakPolarHBondContact O-CA 3.34Å; D346-P708 HydrophobicContact CB-CB 4.41Å; D346-P708 WeakPolarHBondContact O-CB 3.35Å
347	M	90.2	Very high	92.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	19%	0.192	C	C	.	.			trans	-167.7	178	-178.6	57.3	163.7	-111.6	0	0	114.6	N344 F349 V365 S366 Q421 P708	N344-M347 PolarHBondContact N-O 2.77Å; N344-M347 PolarHBondContact OD1-N 2.85Å; N344-M347 PolarHBondContact OD1-O 2.83Å; M347-F349 HydrophobicContact CE-CD2 3.6Å; M347-F349 HydrophobicContact CE-CE1 4.34Å; M347-F349 HydrophobicContact CE-CE2 3.28Å; M347-F349 HydrophobicContact CE-CG 4.26Å; M347-F349 HydrophobicContact CE-CZ 3.71Å; M347-V365 HydrophobicContact CE-CG1 3.67Å; M347-V365 HydrophobicContact CE-CG2 4.35Å; M347-V365 HydrophobicContact SD-CG1 3.6Å; M347-S366 WeakPolarHBondContact CA-OG 3.35Å; M347-S366 WeakPolarHBondContact CB-OG 3.42Å; M347-Q421 HydrophobicContact CE-CG 3.72Å; M347-Q421 HydrophobicContact SD-CG 4Å; M347-Q421 PolarHBondContact SD-NE2 3.1Å; M347-P708 HydrophobicContact CB-CB 3.66Å; M347-P708 HydrophobicContact CB-CG 3.81Å; M347-P708 HydrophobicContact CG-CB 3.89Å; M347-P708 HydrophobicContact CG-CG 4.25Å; M347-P708 HydrophobicContact SD-CB 4.09Å; M347-P708 HydrophobicContact SD-CG 4.02Å
348	V	94.6	Very high	92.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.9	178.4	-177.7	0	0	0	0	111.7	F299 F301 I340 A342 A343 M350 S366	F299-V348 HydrophobicContact CD2-CG2 3.36Å; F299-V348 HydrophobicContact CE2-CG2 3.72Å; F299-V348 HydrophobicContact CG-CG2 4.05Å; F301-V348 HydrophobicContact CE2-CB 4.49Å; F301-V348 HydrophobicContact CE2-CG1 4.15Å; F301-V348 HydrophobicContact CE2-CG2 3.9Å; F301-V348 HydrophobicContact CZ-CB 4.15Å; F301-V348 HydrophobicContact CZ-CG1 4.11Å; F301-V348 HydrophobicContact CZ-CG2 3.73Å; I340-V348 HydrophobicContact CG2-CG1 3.91Å; A342-V348 WeakPolarHBondContact O-CA 3.32Å; A343-V348 HydrophobicContact CB-CB 4.36Å; A343-V348 HydrophobicContact CB-CG1 4.16Å; A343-V348 HydrophobicContact CB-CG2 3.71Å; V348-M350 HydrophobicContact CG1-CE 4.34Å; V348-S366 PolarHBondContact N-OG 2.92Å; V348-S366 PolarHBondContact O-N 2.9Å
349	F	95.6	Very high	92.4	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.7	159.7	-70.9	-91	0	0	0	108.9	L341 A342 M347 I363 Y364 V365 F391 F401 Q421 W425	L341-F349 HydrophobicContact CB-CB 4.05Å; L341-F349 PolarHBondContact N-O 2.67Å; L341-F349 VanDerWaalsContact N-O 3.12Å; A342-F349 HydrophobicContact CB-CD2 4Å; A342-F349 PolarHBondContact O-N 2.99Å; M347-F349 HydrophobicContact CE-CD2 3.6Å; M347-F349 HydrophobicContact CE-CE1 4.34Å; M347-F349 HydrophobicContact CE-CE2 3.28Å; M347-F349 HydrophobicContact CE-CG 4.26Å; M347-F349 HydrophobicContact CE-CZ 3.71Å; F349-I363 HydrophobicContact CB-CG2 4.45Å; F349-I363 HydrophobicContact CD1-CG2 3.81Å; F349-Y364 WeakPolarHBondContact CA-O 3.49Å; F349-V365 HydrophobicContact CD1-CG2 3.58Å; F349-V365 HydrophobicContact CE1-CG2 3.56Å; F349-V365 HydrophobicContact CG-CG2 4.41Å; F349-V365 HydrophobicContact CZ-CG2 4.37Å; F349-F391 HydrophobicContact CB-CZ 4.27Å; F349-F391 HydrophobicContact CD1-CE2 4.34Å; F349-F391 HydrophobicContact CD1-CZ 4.11Å; F349-F391 HydrophobicContact CD2-CZ 4.23Å; F349-F391 HydrophobicContact CE1-CZ 4.45Å; F349-F391 AromaticContact CG-CZ 3.97Å; F349-F391 HydrophobicContact CG-CZ 3.97Å; F349-F401 HydrophobicContact CD2-CE1 4.29Å; F349-F401 HydrophobicContact CD2-CZ 4.38Å; F349-F401 HydrophobicContact CE2-CD1 4.13Å; F349-F401 HydrophobicContact CE2-CD2 4.05Å; F349-F401 AromaticContact CE2-CE1 3.69Å; F349-F401 HydrophobicContact CE2-CE1 3.69Å; F349-F401 AromaticContact CE2-CE2 3.63Å; F349-F401 HydrophobicContact CE2-CE2 3.63Å; F349-F401 HydrophobicContact CE2-CG 4.3Å; F349-F401 AromaticContact CE2-CZ 3.45Å; F349-F401 HydrophobicContact CE2-CZ 3.45Å; F349-F401 VanDerWaalsContact CE2-CZ 3.45Å; F349-F401 HydrophobicContact CZ-CD1 4.3Å; F349-F401 AromaticContact CZ-CD2 3.71Å; F349-F401 HydrophobicContact CZ-CD2 3.71Å; F349-F401 HydrophobicContact CZ-CE1 4.27Å; F349-F401 AromaticContact CZ-CE2 3.71Å; F349-F401 HydrophobicContact CZ-CE2 3.71Å; F349-F401 HydrophobicContact CZ-CG 4.04Å; F349-F401 HydrophobicContact CZ-CZ 4Å; F349-Q421 HydrophobicContact CE2-CG 4.36Å; F349-Q421 HydrophobicContact CZ-CG 4.3Å; F349-Q421 VanDerWaalsContact CZ-O 3.32Å; F349-Q421 WeakPolarHBondContact CZ-O 3.22Å; F349-W425 HydrophobicContact CE1-CZ2 4.37Å
350	M	96.4	Very high	92.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.4	-179.7	-173.2	69.5	68	0	0	109.8	F301 L329 I340 V348 I363 Y364 Y373	F301-M350 HydrophobicContact CD1-CE 4.2Å; F301-M350 HydrophobicContact CD2-CE 4.46Å; F301-M350 HydrophobicContact CE1-CE 4.09Å; F301-M350 HydrophobicContact CE2-CE 4.36Å; F301-M350 HydrophobicContact CG-CE 4.37Å; F301-M350 HydrophobicContact CZ-CE 4.17Å; L329-M350 HydrophobicContact CD1-CG 3.78Å; I340-M350 HydrophobicContact CG1-CE 3.99Å; I340-M350 HydrophobicContact CG1-SD 4.17Å; V348-M350 HydrophobicContact CG1-CE 4.34Å; M350-I363 WeakPolarHBondContact O-CA 3.14Å; M350-Y364 PolarHBondContact N-O 3.3Å; M350-Y364 PolarHBondContact O-N 2.95Å; M350-Y373 HydrophobicContact CB-CE1 3.9Å
351	H	97.1	Very high	92.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139.4	166.1	-167	73.8	0	0	0	110.2	F337 Y338 S339 L341 G361 H380 Y382	F337-H351 AromaticContact CE2-CD2 3.63Å; F337-H351 AromaticContact CZ-CD2 3.94Å; Y338-H351 WeakPolarHBondContact CA-O 3.4Å; S339-H351 PolarHBondContact N-O 2.91Å; S339-H351 PolarHBondContact O-N 3.37Å; L341-H351 HydrophobicContact CD1-CB 4Å; L341-H351 HydrophobicContact CD2-CB 4.16Å; L341-H351 HydrophobicContact CG-CB 3.97Å; H351-G361 WeakPolarHBondContact CE1-CA 3.5Å; H351-G361 PolarHBondContact CE1-N 3.3Å; H351-H380 AromaticContact CE1-ND1 3.35Å; H351-H380 PolarHBondContact CE1-ND1 2.98Å; H351-H380 AromaticContact ND1-CG 3.97Å; H351-H380 AromaticContact ND1-ND1 3.13Å; H351-H380 PolarHBondContact ND1-ND1 3.34Å; H351-H380 VanDerWaalsContact ND1-ND1 3.13Å; H351-Y382 HydrophobicContact CB-CD2 4.45Å; H351-Y382 AromaticContact CD2-CD2 3.88Å; H351-Y382 AromaticContact CG-CD2 3.91Å
352	V	96.5	Very high	92.3	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.3	166.4	-172	0	0	0	0	107.3	L329 P330 V332 Y338 G361 T362 Y364	L329-V352 HydrophobicContact CD2-CG2 4.03Å; P330-V352 HydrophobicContact CB-CG1 4.46Å; P330-V352 HydrophobicContact CG-CG1 4.43Å; V332-V352 HydrophobicContact CG1-CG1 3.75Å; Y338-V352 HydrophobicContact CD1-CB 4.48Å; Y338-V352 HydrophobicContact CD1-CG1 4.25Å; Y338-V352 HydrophobicContact CD1-CG2 4Å; Y338-V352 HydrophobicContact CE1-CG1 4.06Å; Y338-V352 HydrophobicContact CE1-CG2 4.16Å; V352-G361 CarbonylContact O-C 3.56Å; V352-G361 VanDerWaalsContact O-CA 3.29Å; V352-G361 WeakPolarHBondContact O-CA 3.41Å; V352-T362 PolarHBondContact N-O 3.32Å; V352-T362 PolarHBondContact O-N 3.4Å; V352-Y364 HydrophobicContact CB-CD2 4.24Å; V352-Y364 HydrophobicContact CB-CE2 3.9Å; V352-Y364 HydrophobicContact CG2-CD2 3.57Å; V352-Y364 HydrophobicContact CG2-CE2 3.62Å
353	D	95.3	Very high	92.5	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.7	-179.9	175.9	45.6	0	0	0	112.8	Q336 F337	Q336-D353 VanDerWaalsContact CA-OD2 3.29Å; Q336-D353 WeakPolarHBondContact CA-OD2 3.35Å; Q336-D353 HydrophobicContact CB-CB 4.29Å; Q336-D353 WeakPolarHBondContact CB-OD2 3.32Å; Q336-D353 WeakPolarHBondContact CG-OD2 3.4Å; Q336-D353 PolarHBondContact NE2-O 3.45Å; F337-D353 HydrophobicContact CD1-CB 3.7Å; F337-D353 HydrophobicContact CE1-CB 3.59Å; F337-D353 HydrophobicContact CG-CB 4.23Å; F337-D353 HydrophobicContact CZ-CB 4.05Å; F337-D353 PolarHBondContact O-N 2.82Å
354	E	93.9	Very high	92.5	Very high	80 Å²	80	32 Å²	32	37%	0.374	18%	0.184	S	C	.	.			trans	-90.1	131.6	-176.1	-168.1	70.3	-140.3	0	0	111	G356 T358 F360	E354-G356 PolarHBondContact O-N 3.3Å; E354-G356 VanDerWaalsContact O-N 3.1Å; E354-G356 VanDerWaalsContact O-O 3.13Å; E354-T358 HydrophobicContact CB-CG2 4.32Å; E354-T358 HydrophobicContact CG-CG2 4.44Å; E354-T358 PolarHBondContact O-OG1 3.06Å; E354-F360 HydrophobicContact CB-CD2 4.21Å; E354-F360 HydrophobicContact CB-CE2 3.95Å; E354-F360 VanDerWaalsContact CB-O 3.22Å; E354-F360 WeakPolarHBondContact CB-O 3.22Å; E354-F360 HydrophobicContact CG-CE2 3.86Å; E354-F360 HydrophobicContact CG-CZ 4.41Å; E354-F360 PolarHBondContact N-O 2.74Å
355	P	91.2	Very high	92.7	Very high	87 Å²	87	29.2 Å²	29.2	57%	0.565	17%	0.169	S	C	*	.	S	Bend	trans	-53.7	113.8	-168.2	-28	33.8	0	0	0	116.6
356	G	88.3	Confident	92.9	Very high	36 Å²	36	26 Å²	26	37%	0.371	15%	0.152	S	C	.	.	S	Bend	trans	108.3	174.4	177.3	0	0	0	0	0	112.1	E354 T358	E354-G356 PolarHBondContact O-N 3.3Å; E354-G356 VanDerWaalsContact O-N 3.1Å; E354-G356 VanDerWaalsContact O-O 3.13Å; G356-T358 VanDerWaalsContact C-N 3.29Å; G356-T358 WeakPolarHBondContact O-CG2 3.45Å; G356-T358 PolarHBondContact O-N 2.84Å; G356-T358 PolarHBondContact O-OG1 3.43Å
357	D	86.4	Confident	92.9	Very high	141 Å²	141	22.9 Å²	22.9	75%	0.754	14%	0.135	S	C	*	.	S	Bend	trans	-72.5	84.6	179.8	-172.9	36.5	0	0	0	111.2	T384	D357-T384 PolarHBondContact OD1-OG1 3.2Å
358	T	90.2	Very high	92.7	Very high	36 Å²	36	26.5 Å²	26.5	22%	0.221	16%	0.155	C	C	.	.			trans	-105.1	-30.9	-173.6	59.3	0	0	0	0	112.6	E354 G356 F360	E354-T358 HydrophobicContact CB-CG2 4.32Å; E354-T358 HydrophobicContact CG-CG2 4.44Å; E354-T358 PolarHBondContact O-OG1 3.06Å; G356-T358 VanDerWaalsContact C-N 3.29Å; G356-T358 WeakPolarHBondContact O-CG2 3.45Å; G356-T358 PolarHBondContact O-N 2.84Å; G356-T358 PolarHBondContact O-OG1 3.43Å; T358-F360 VanDerWaalsContact C-N 3.25Å; T358-F360 HydrophobicContact CG2-CE1 4.25Å; T358-F360 HydrophobicContact CG2-CZ 4.22Å; T358-F360 WeakPolarHBondContact O-CD1 3.32Å; T358-F360 PolarHBondContact OG1-N 3.21Å; T358-F360 PolarHBondContact OG1-O 3.17Å
359	G	90.4	Very high	92.2	Very high	16 Å²	16	29.1 Å²	29.1	17%	0.165	17%	0.165	C	C	.	.	S	Bend	trans	67.8	20.5	-171.3	0	0	0	0	0	114	Y382	G359-Y382 CarbonylContact C-O 3.55Å
360	F	94.6	Very high	91.9	Very high	29 Å²	29	29 Å²	29	13%	0.127	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.3	174.1	67.5	-95.3	0	0	0	111.7	E354 T358 R379 H380 L406	E354-F360 HydrophobicContact CB-CD2 4.21Å; E354-F360 HydrophobicContact CB-CE2 3.95Å; E354-F360 VanDerWaalsContact CB-O 3.22Å; E354-F360 WeakPolarHBondContact CB-O 3.22Å; E354-F360 HydrophobicContact CG-CE2 3.86Å; E354-F360 HydrophobicContact CG-CZ 4.41Å; E354-F360 PolarHBondContact N-O 2.74Å; T358-F360 VanDerWaalsContact C-N 3.25Å; T358-F360 HydrophobicContact CG2-CE1 4.25Å; T358-F360 HydrophobicContact CG2-CZ 4.22Å; T358-F360 WeakPolarHBondContact O-CD1 3.32Å; T358-F360 PolarHBondContact OG1-N 3.21Å; T358-F360 PolarHBondContact OG1-O 3.17Å; F360-R379 HydrophobicContact CD2-CB 4.24Å; F360-R379 HydrophobicContact CD2-CG 4.42Å; F360-R379 VanDerWaalsContact CE1-NH2 3.28Å; F360-R379 HydrophobicContact CE2-CG 4.45Å; F360-H380 CarbonylContact C-O 3.59Å; F360-H380 WeakPolarHBondContact CA-O 3.44Å; F360-H380 VanDerWaalsContact CB-O 3.3Å; F360-H380 WeakPolarHBondContact CB-O 3.31Å; F360-L406 HydrophobicContact CB-CB 4.47Å; F360-L406 HydrophobicContact CD1-CD2 3.71Å; F360-L406 HydrophobicContact CE1-CD2 4.39Å
361	G	95.1	Very high	91.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	-153	172.5	0	0	0	0	0	112.5	H351 V352 R379 H380	H351-G361 WeakPolarHBondContact CE1-CA 3.5Å; H351-G361 PolarHBondContact CE1-N 3.3Å; V352-G361 CarbonylContact O-C 3.56Å; V352-G361 VanDerWaalsContact O-CA 3.29Å; V352-G361 WeakPolarHBondContact O-CA 3.41Å; G361-R379 CarbonylContact O-C 3.54Å; G361-R379 WeakPolarHBondContact O-CA 3.49Å; G361-R379 PolarHBondContact O-N 2.9Å; G361-H380 PolarHBondContact N-O 2.86Å; G361-H380 PolarHBondContact O-N 2.83Å
362	T	95.6	Very high	90.9	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.6	179.9	-64.9	0	0	0	0	110.6	V352 Y364 K375 L377	V352-T362 PolarHBondContact N-O 3.32Å; V352-T362 PolarHBondContact O-N 3.4Å; T362-Y364 HydrophobicContact CG2-CD2 3.95Å; T362-Y364 HydrophobicContact CG2-CE1 4.42Å; T362-Y364 HydrophobicContact CG2-CE2 3.37Å; T362-K375 HydrophobicContact CG2-CD 4.22Å; T362-K375 HydrophobicContact CG2-CG 3.81Å; T362-L377 CarbonylContact C-O 3.59Å; T362-L377 WeakPolarHBondContact CA-O 3.39Å; T362-L377 WeakPolarHBondContact CG2-O 3.16Å
363	I	96.1	Very high	90.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.4	168.7	-52.6	-175.7	0	0	0	110	L341 F349 M350 S376 L377 H380 F391 T403 W425	L341-I363 HydrophobicContact CD1-CD1 3.86Å; L341-I363 HydrophobicContact CD1-CG1 3.77Å; L341-I363 HydrophobicContact CD1-CG2 4.22Å; F349-I363 HydrophobicContact CB-CG2 4.45Å; F349-I363 HydrophobicContact CD1-CG2 3.81Å; M350-I363 WeakPolarHBondContact O-CA 3.14Å; I363-S376 PolarHBondContact O-N 2.85Å; I363-L377 HydrophobicContact CB-CB 4.04Å; I363-L377 HydrophobicContact CD1-CB 4.03Å; I363-L377 HydrophobicContact CD1-CD2 3.92Å; I363-L377 HydrophobicContact CG1-CB 4.08Å; I363-L377 PolarHBondContact N-O 2.84Å; I363-L377 PolarHBondContact O-N 2.9Å; I363-H380 HydrophobicContact CD1-CB 4.44Å; I363-H380 HydrophobicContact CG1-CB 3.9Å; I363-F391 HydrophobicContact CD1-CD2 3.89Å; I363-F391 HydrophobicContact CD1-CE2 3.86Å; I363-T403 HydrophobicContact CD1-CG2 4.41Å; I363-W425 HydrophobicContact CD1-CZ2 4.22Å
364	Y	92.8	Very high	89.9	Confident	28 Å²	28	29.3 Å²	29.3	11%	0.11	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.4	168	-63.7	-98.8	0	0	0	110.6	L329 F349 M350 V352 T362 S374 K375	L329-Y364 HydrophobicContact CD2-CD1 4.22Å; L329-Y364 HydrophobicContact CD2-CD2 4.04Å; L329-Y364 HydrophobicContact CD2-CG 3.77Å; F349-Y364 WeakPolarHBondContact CA-O 3.49Å; M350-Y364 PolarHBondContact N-O 3.3Å; M350-Y364 PolarHBondContact O-N 2.95Å; V352-Y364 HydrophobicContact CB-CD2 4.24Å; V352-Y364 HydrophobicContact CB-CE2 3.9Å; V352-Y364 HydrophobicContact CG2-CD2 3.57Å; V352-Y364 HydrophobicContact CG2-CE2 3.62Å; T362-Y364 HydrophobicContact CG2-CD2 3.95Å; T362-Y364 HydrophobicContact CG2-CE1 4.42Å; T362-Y364 HydrophobicContact CG2-CE2 3.37Å; Y364-S374 CarbonylContact C-O 3.55Å; Y364-S374 WeakPolarHBondContact CA-O 3.4Å; Y364-K375 HydrophobicContact CD1-CB 4.12Å; Y364-K375 HydrophobicContact CE1-CB 3.88Å; Y364-K375 HydrophobicContact CE1-CG 4.46Å
365	V	92	Very high	89.5	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132	175.2	169.6	0	0	0	0	109.3	M347 F349 Y373 S374 L663	M347-V365 HydrophobicContact CE-CG1 3.67Å; M347-V365 HydrophobicContact CE-CG2 4.35Å; M347-V365 HydrophobicContact SD-CG1 3.6Å; F349-V365 HydrophobicContact CD1-CG2 3.58Å; F349-V365 HydrophobicContact CE1-CG2 3.56Å; F349-V365 HydrophobicContact CG-CG2 4.41Å; F349-V365 HydrophobicContact CZ-CG2 4.37Å; V365-Y373 WeakPolarHBondContact O-CA 3.49Å; V365-S374 PolarHBondContact N-O 2.84Å; V365-S374 PolarHBondContact O-N 3.02Å; V365-S374 PolarHBondContact O-OG 3.04Å; V365-L663 HydrophobicContact CG1-CD2 4.21Å
366	S	91.9	Very high	89.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	173.2	-174.8	80.5	0	0	0	0	114.4	M347 V348 V372 Y373 R705 P708	M347-S366 WeakPolarHBondContact CA-OG 3.35Å; M347-S366 WeakPolarHBondContact CB-OG 3.42Å; V348-S366 PolarHBondContact N-OG 2.92Å; V348-S366 PolarHBondContact O-N 2.9Å; S366-V372 CarbonylContact C-O 3.56Å; S366-V372 VanDerWaalsContact C-O 3.3Å; S366-V372 WeakPolarHBondContact CA-O 3.48Å; S366-Y373 VanDerWaalsContact CB-CE1 3.43Å; S366-R705 VanDerWaalsContact C-NH2 3.27Å; S366-R705 PolarHBondContact O-NH2 3.27Å; S366-P708 WeakPolarHBondContact O-CG 3.4Å
367	D	86.5	Confident	89.6	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.135	C	C	.	.			trans	-84.5	176.6	153.4	73	-17.5	0	0	0	111.3	R369 G370 T371 V372	D367-R369 PolarHBondContact O-N 2.85Å; D367-R369 PolarHBondContact OD1-N 2.9Å; D367-R369 IonicContact OD2-CZ 3.24Å; D367-R369 VanDerWaalsContact OD2-CZ 3.24Å; D367-R369 IonicContact OD2-NE 2.71Å; D367-R369 PolarHBondContact OD2-NE 2.86Å; D367-R369 IonicContact OD2-NH2 3.73Å; D367-R369 PolarHBondContact OD2-NH2 2.9Å; D367-G370 PolarHBondContact O-N 2.75Å; D367-G370 PolarHBondContact OD1-N 2.86Å; D367-G370 VanDerWaalsContact OD1-N 3.14Å; D367-T371 PolarHBondContact OD1-N 3.44Å; D367-V372 HydrophobicContact CB-CB 4.09Å; D367-V372 PolarHBondContact N-O 2.74Å; D367-V372 PolarHBondContact OD1-N 3.25Å; D367-V372 WeakPolarHBondContact OD2-CG2 3.37Å
368	D	85.5	Confident	89.9	Confident	80 Å²	80	24.5 Å²	24.5	43%	0.428	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.1	178.6	68.5	-64.4	0	0	0	113	R298 F299 D346 G370	R298-D368 PolarHBondContact NH2-O 3Å; R298-D368 IonicContact NH2-OD2 3.41Å; F299-D368 VanDerWaalsContact CE1-O 3.29Å; F299-D368 WeakPolarHBondContact CE1-O 3.22Å; F299-D368 WeakPolarHBondContact CZ-O 3.37Å; D346-D368 VanDerWaalsContact O-CA 3.27Å; D346-D368 WeakPolarHBondContact O-CA 3.34Å; D368-G370 VanDerWaalsContact C-N 3.34Å
369	R	85.9	Confident	90.1	Very high	55 Å²	55	25.2 Å²	25.2	21%	0.208	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.9	173.1	-57.5	174.3	-65.6	-154.5	-6	112.8	D367 T371 E722	D367-R369 PolarHBondContact O-N 2.85Å; D367-R369 PolarHBondContact OD1-N 2.9Å; D367-R369 IonicContact OD2-CZ 3.24Å; D367-R369 VanDerWaalsContact OD2-CZ 3.24Å; D367-R369 IonicContact OD2-NE 2.71Å; D367-R369 PolarHBondContact OD2-NE 2.86Å; D367-R369 IonicContact OD2-NH2 3.73Å; D367-R369 PolarHBondContact OD2-NH2 2.9Å; R369-T371 PolarHBondContact O-N 3.34Å; R369-T371 PolarHBondContact O-OG1 2.99Å; R369-E722 IonicContact CZ-OE1 3.72Å; R369-E722 IonicContact CZ-OE2 2.65Å; R369-E722 IonicContact NH1-OE1 3.64Å; R369-E722 PolarHBondContact NH1-OE1 2.83Å; R369-E722 IonicContact NH1-OE2 3.1Å; R369-E722 PolarHBondContact NH1-OE2 3.19Å; R369-E722 IonicContact NH2-OE1 3.61Å; R369-E722 PolarHBondContact NH2-OE1 3.37Å; R369-E722 IonicContact NH2-OE2 2.64Å
370	G	89.1	Confident	90.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	61.6	19.8	-176.8	0	0	0	0	0	113.5	V316 D367 D368 Y373	V316-G370 WeakPolarHBondContact CG1-O 3.49Å; D367-G370 PolarHBondContact O-N 2.75Å; D367-G370 PolarHBondContact OD1-N 2.86Å; D367-G370 VanDerWaalsContact OD1-N 3.14Å; D368-G370 VanDerWaalsContact C-N 3.34Å; G370-Y373 VanDerWaalsContact O-CE2 3.23Å; G370-Y373 WeakPolarHBondContact O-CE2 3.38Å; G370-Y373 PolarHBondContact O-OH 3.16Å
371	T	86.3	Confident	90.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	11%	0.11	C	C	.	.			trans	-116.1	-47.2	-165.6	-57.3	0	0	0	0	112.3	V316 N325 M326 Q328 D367 R369 Y373 L692	V316-T371 WeakPolarHBondContact CG1-OG1 3.41Å; N325-T371 HydrophobicContact CB-CG2 3.83Å; M326-T371 WeakPolarHBondContact O-CG2 3.16Å; Q328-T371 WeakPolarHBondContact CB-O 3.27Å; Q328-T371 PolarHBondContact N-O 3.32Å; D367-T371 PolarHBondContact OD1-N 3.44Å; R369-T371 PolarHBondContact O-N 3.34Å; R369-T371 PolarHBondContact O-OG1 2.99Å; T371-Y373 WeakPolarHBondContact O-CD2 3.18Å; T371-L692 HydrophobicContact CG2-CD2 3.84Å
372	V	84.6	Confident	90.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	11%	0.11	C	C	.	.	S	Bend	trans	-90.3	135.3	177.9	-179	0	0	0	0	108.1	S366 D367 F666 F690	S366-V372 CarbonylContact C-O 3.56Å; S366-V372 VanDerWaalsContact C-O 3.3Å; S366-V372 WeakPolarHBondContact CA-O 3.48Å; D367-V372 HydrophobicContact CB-CB 4.09Å; D367-V372 PolarHBondContact N-O 2.74Å; D367-V372 PolarHBondContact OD1-N 3.25Å; D367-V372 WeakPolarHBondContact OD2-CG2 3.37Å; V372-F666 HydrophobicContact CG1-CB 3.93Å; V372-F690 HydrophobicContact CG2-CD2 3.98Å; V372-F690 HydrophobicContact CG2-CE2 3.88Å
373	Y	87.7	Confident	90.2	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.4	-173	-81.1	-89.4	0	0	0	112.4	F301 A327 Q328 L329 M350 V365 S366 G370 T371	F301-Y373 WeakPolarHBondContact CE1-OH 3.22Å; A327-Y373 HydrophobicContact CB-CD2 4.32Å; A327-Y373 HydrophobicContact CB-CE2 3.81Å; Q328-Y373 PolarHBondContact NE2-O 2.68Å; Q328-Y373 PolarHBondContact OE1-O 3.29Å; L329-Y373 HydrophobicContact CD1-CD2 4.29Å; L329-Y373 HydrophobicContact CD1-CE1 4.48Å; L329-Y373 HydrophobicContact CD1-CE2 4.05Å; L329-Y373 HydrophobicContact CD2-CD1 3.82Å; L329-Y373 HydrophobicContact CD2-CD2 3.96Å; L329-Y373 HydrophobicContact CD2-CE1 4.32Å; L329-Y373 HydrophobicContact CD2-CE2 4.46Å; L329-Y373 HydrophobicContact CD2-CG 3.6Å; L329-Y373 HydrophobicContact CG-CD1 4.48Å; L329-Y373 HydrophobicContact CG-CD2 3.83Å; L329-Y373 HydrophobicContact CG-CE2 4.1Å; L329-Y373 HydrophobicContact CG-CG 4.03Å; M350-Y373 HydrophobicContact CB-CE1 3.9Å; V365-Y373 WeakPolarHBondContact O-CA 3.49Å; S366-Y373 VanDerWaalsContact CB-CE1 3.43Å; G370-Y373 VanDerWaalsContact O-CE2 3.23Å; G370-Y373 WeakPolarHBondContact O-CE2 3.38Å; G370-Y373 PolarHBondContact O-OH 3.16Å; T371-Y373 WeakPolarHBondContact O-CD2 3.18Å
374	S	83.8	Confident	89.4	Confident	12 Å²	12	26.6 Å²	26.6	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.5	171.7	50.6	0	0	0	0	110.1	Y364 V365 S376 C664	Y364-S374 CarbonylContact C-O 3.55Å; Y364-S374 WeakPolarHBondContact CA-O 3.4Å; V365-S374 PolarHBondContact N-O 2.84Å; V365-S374 PolarHBondContact O-N 3.02Å; V365-S374 PolarHBondContact O-OG 3.04Å; S374-S376 PolarHBondContact O-N 2.69Å; S374-C664 VanDerWaalsContact CB-O 3.23Å; S374-C664 WeakPolarHBondContact CB-O 3.37Å
375	K	86.8	Confident	88.5	Confident	88 Å²	88	30.1 Å²	30.1	38%	0.383	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	128.4	171.8	176.8	179.1	-80.4	-162.1	0	109.1	T362 Y364 E378	T362-K375 HydrophobicContact CG2-CD 4.22Å; T362-K375 HydrophobicContact CG2-CG 3.81Å; Y364-K375 HydrophobicContact CD1-CB 4.12Å; Y364-K375 HydrophobicContact CE1-CB 3.88Å; Y364-K375 HydrophobicContact CE1-CG 4.46Å; K375-E378 HydrophobicContact CD-CG 3.75Å; K375-E378 VanDerWaalsContact CD-OE1 3.29Å; K375-E378 WeakPolarHBondContact CD-OE1 3.31Å; K375-E378 WeakPolarHBondContact CE-OE1 3.27Å; K375-E378 HydrophobicContact CG-CG 4.36Å; K375-E378 IonicContact NZ-OE1 2.61Å; K375-E378 PolarHBondContact NZ-OE1 3.49Å
376	S	89.1	Confident	87.4	Confident	23 Å²	23	32.7 Å²	32.7	16%	0.161	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-48.8	-172.5	173.5	0	0	0	0	112.5	I363 S374 G422 W425	I363-S376 PolarHBondContact O-N 2.85Å; S374-S376 PolarHBondContact O-N 2.69Å; S376-G422 WeakPolarHBondContact CB-O 3.26Å; S376-G422 PolarHBondContact OG-O 3.31Å; S376-W425 PolarHBondContact OG-NE1 2.87Å
377	L	91.9	Very high	87.1	Confident	19 Å²	19	32.9 Å²	32.9	10%	0.099	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123	-179.5	-171.8	60.6	0	0	0	110.7	T362 I363 T403 V405 V416 W425	T362-L377 CarbonylContact C-O 3.59Å; T362-L377 WeakPolarHBondContact CA-O 3.39Å; T362-L377 WeakPolarHBondContact CG2-O 3.16Å; I363-L377 HydrophobicContact CB-CB 4.04Å; I363-L377 HydrophobicContact CD1-CB 4.03Å; I363-L377 HydrophobicContact CD1-CD2 3.92Å; I363-L377 HydrophobicContact CG1-CB 4.08Å; I363-L377 PolarHBondContact N-O 2.84Å; I363-L377 PolarHBondContact O-N 2.9Å; L377-T403 HydrophobicContact CD2-CG2 3.46Å; L377-T403 VanDerWaalsContact CD2-CG2 3.46Å; L377-V405 HydrophobicContact CD1-CG1 3.85Å; L377-V405 HydrophobicContact CD2-CG1 3.7Å; L377-V405 HydrophobicContact CG-CG1 3.82Å; L377-V416 HydrophobicContact CD1-CG2 4.44Å; L377-V416 HydrophobicContact CD2-CG2 3.98Å; L377-W425 HydrophobicContact CB-CG 4.44Å; L377-W425 HydrophobicContact CD1-CB 3.95Å; L377-W425 HydrophobicContact CD1-CD2 4.32Å; L377-W425 HydrophobicContact CD1-CG 3.82Å; L377-W425 HydrophobicContact CD2-CD2 3.97Å; L377-W425 HydrophobicContact CD2-CE3 4.21Å; L377-W425 HydrophobicContact CD2-CG 4.34Å; L377-W425 HydrophobicContact CD2-CZ2 4.4Å; L377-W425 HydrophobicContact CG-CG 4.43Å
378	E	92	Very high	87.2	Confident	112 Å²	112	33.7 Å²	33.7	52%	0.523	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	155.6	172.2	-61.9	-171.5	146.5	0	0	110.8	K375 H380	K375-E378 HydrophobicContact CD-CG 3.75Å; K375-E378 VanDerWaalsContact CD-OE1 3.29Å; K375-E378 WeakPolarHBondContact CD-OE1 3.31Å; K375-E378 WeakPolarHBondContact CE-OE1 3.27Å; K375-E378 HydrophobicContact CG-CG 4.36Å; K375-E378 IonicContact NZ-OE1 2.61Å; K375-E378 PolarHBondContact NZ-OE1 3.49Å; E378-H380 PolarHBondContact O-N 3.43Å
379	R	94.4	Very high	87.7	Confident	52 Å²	52	30.8 Å²	30.8	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61	30.9	173.4	-47	-172.4	54	59.5	28.3	114.1	F360 G361 V405 L406 E408	F360-R379 HydrophobicContact CD2-CB 4.24Å; F360-R379 HydrophobicContact CD2-CG 4.42Å; F360-R379 VanDerWaalsContact CE1-NH2 3.28Å; F360-R379 HydrophobicContact CE2-CG 4.45Å; G361-R379 CarbonylContact O-C 3.54Å; G361-R379 WeakPolarHBondContact O-CA 3.49Å; G361-R379 PolarHBondContact O-N 2.9Å; R379-V405 CarbonylContact O-C 3.49Å; R379-V405 VanDerWaalsContact O-CA 3.27Å; R379-V405 WeakPolarHBondContact O-CA 3.12Å; R379-V405 WeakPolarHBondContact O-CB 3.43Å; R379-L406 VanDerWaalsContact CZ-O 3.25Å; R379-L406 PolarHBondContact NE-O 3.32Å; R379-L406 PolarHBondContact NH2-O 2.86Å; R379-L406 PolarHBondContact O-N 2.86Å; R379-E408 VanDerWaalsContact NE-CG 3.33Å
380	H	97	Very high	88.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	128.5	175.5	177.9	-108.2	0	0	0	111.3	H351 F360 G361 I363 E378 Y382 T389 F391 T403	H351-H380 AromaticContact CE1-ND1 3.35Å; H351-H380 PolarHBondContact CE1-ND1 2.98Å; H351-H380 AromaticContact ND1-CG 3.97Å; H351-H380 AromaticContact ND1-ND1 3.13Å; H351-H380 PolarHBondContact ND1-ND1 3.34Å; H351-H380 VanDerWaalsContact ND1-ND1 3.13Å; F360-H380 CarbonylContact C-O 3.59Å; F360-H380 WeakPolarHBondContact CA-O 3.44Å; F360-H380 VanDerWaalsContact CB-O 3.3Å; F360-H380 WeakPolarHBondContact CB-O 3.31Å; G361-H380 PolarHBondContact N-O 2.86Å; G361-H380 PolarHBondContact O-N 2.83Å; I363-H380 HydrophobicContact CD1-CB 4.44Å; I363-H380 HydrophobicContact CG1-CB 3.9Å; E378-H380 PolarHBondContact O-N 3.43Å; H380-Y382 PolarHBondContact O-N 2.75Å; H380-T389 PolarHBondContact CE1-OG1 3.13Å; H380-F391 AromaticContact NE2-CD2 3.85Å; H380-T403 PolarHBondContact CD2-OG1 2.69Å; H380-T403 VanDerWaalsContact CD2-OG1 3.24Å; H380-T403 PolarHBondContact NE2-OG1 3.25Å
381	L	95.3	Very high	88.5	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.4	-179.3	-168.9	76.5	0	0	0	111.2	T389 S404 L406 V413 Y454	L381-T389 WeakPolarHBondContact O-CB 3.36Å; L381-T389 PolarHBondContact O-OG1 3.36Å; L381-S404 WeakPolarHBondContact CB-O 3.37Å; L381-S404 PolarHBondContact N-O 2.86Å; L381-L406 HydrophobicContact CD1-CB 4.41Å; L381-L406 HydrophobicContact CD1-CD1 4.4Å; L381-V413 HydrophobicContact CD1-CG2 4.41Å; L381-V413 HydrophobicContact CD2-CG1 3.79Å; L381-V413 HydrophobicContact CD2-CG2 4.3Å; L381-Y454 HydrophobicContact CD2-CD1 3.54Å; L381-Y454 HydrophobicContact CD2-CD2 3.96Å; L381-Y454 HydrophobicContact CD2-CE1 4.02Å; L381-Y454 HydrophobicContact CD2-CE2 4.39Å; L381-Y454 HydrophobicContact CD2-CG 3.51Å
382	Y	95.4	Very high	89	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.008	18%	0.175	C	C	.	.			trans	-153.4	124.2	172.9	-152.8	-59.5	0	0	0	106.2	F337 S339 L341 H351 G359 H380 G387 T389 D817	F337-Y382 HydrophobicContact CD2-CE1 4.42Å; F337-Y382 AromaticContact CE2-CD1 3.46Å; F337-Y382 HydrophobicContact CE2-CD1 3.46Å; F337-Y382 VanDerWaalsContact CE2-CD1 3.46Å; F337-Y382 HydrophobicContact CE2-CD2 4.19Å; F337-Y382 AromaticContact CE2-CE1 3.44Å; F337-Y382 HydrophobicContact CE2-CE1 3.44Å; F337-Y382 VanDerWaalsContact CE2-CE1 3.44Å; F337-Y382 HydrophobicContact CE2-CE2 4.19Å; F337-Y382 AromaticContact CE2-CG 3.85Å; F337-Y382 HydrophobicContact CE2-CG 3.85Å; F337-Y382 AromaticContact CE2-CZ 3.84Å; F337-Y382 AromaticContact CZ-CD1 3.34Å; F337-Y382 HydrophobicContact CZ-CD1 3.34Å; F337-Y382 AromaticContact CZ-CE1 3.78Å; F337-Y382 HydrophobicContact CZ-CE1 3.78Å; F337-Y382 AromaticContact CZ-CG 3.78Å; F337-Y382 HydrophobicContact CZ-CG 3.78Å; S339-Y382 WeakPolarHBondContact CB-OH 3.47Å; S339-Y382 PolarHBondContact OG-OH 3.32Å; S339-Y382 VanDerWaalsContact OG-OH 3.05Å; L341-Y382 HydrophobicContact CD2-CD2 4.11Å; L341-Y382 HydrophobicContact CD2-CE2 3.76Å; H351-Y382 HydrophobicContact CB-CD2 4.45Å; H351-Y382 AromaticContact CD2-CD2 3.88Å; H351-Y382 AromaticContact CG-CD2 3.91Å; G359-Y382 CarbonylContact C-O 3.55Å; H380-Y382 PolarHBondContact O-N 2.75Å; Y382-G387 VanDerWaalsContact CE1-O 3.26Å; Y382-G387 WeakPolarHBondContact CE1-O 3.17Å; Y382-T389 HydrophobicContact CD2-CG2 3.87Å; Y382-T389 HydrophobicContact CE2-CG2 3.68Å; Y382-D817 PolarHBondContact OH-OD1 2.66Å
383	T	89.4	Confident	89.6	Confident	24 Å²	24	34.1 Å²	34.1	15%	0.147	19%	0.194	C	C	.	.			trans	-90.3	128.6	-173.1	55.7	0	0	0	0	113	T385 G387 D388 Y454	T383-T385 WeakPolarHBondContact CB-O 3.4Å; T383-T385 PolarHBondContact O-N 2.91Å; T383-T385 PolarHBondContact OG1-O 3.47Å; T383-G387 PolarHBondContact O-N 2.65Å; T383-D388 PolarHBondContact N-O 2.79Å; T383-D388 VanDerWaalsContact N-O 3.11Å; T383-D388 PolarHBondContact OG1-N 3.48Å; T383-D388 PolarHBondContact OG1-O 2.83Å; T383-Y454 HydrophobicContact CG2-CD2 3.65Å; T383-Y454 HydrophobicContact CG2-CE2 3.66Å
384	T	80.5	Confident	90	Very high	47 Å²	47	34 Å²	34	29%	0.288	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.1	172.5	-14.7	0	0	0	0	113.9	D357	D357-T384 PolarHBondContact OD1-OG1 3.2Å
385	T	73	Confident	90.6	Very high	102 Å²	102	36.3 Å²	36.3	63%	0.626	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	125	176	-54.2	0	0	0	0	108	T383 L823	T383-T385 WeakPolarHBondContact CB-O 3.4Å; T383-T385 PolarHBondContact O-N 2.91Å; T383-T385 PolarHBondContact OG1-O 3.47Å; T385-L823 HydrophobicContact CG2-CD1 4.17Å
386	G	69.9	Low	91	Very high	56 Å²	56	32.4 Å²	32.4	58%	0.577	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	-12.4	177.5	0	0	0	0	0	115.9	D388	G386-D388 PolarHBondContact O-N 3.08Å
387	G	84.4	Confident	91.2	Very high	4 Å²	4	31.5 Å²	31.5	4%	0.041	18%	0.184	C	C	.	.			trans	68.4	11.9	178.8	0	0	0	0	0	114.5	Y382 T383 T389	Y382-G387 VanDerWaalsContact CE1-O 3.26Å; Y382-G387 WeakPolarHBondContact CE1-O 3.17Å; T383-G387 PolarHBondContact O-N 2.65Å; G387-T389 PolarHBondContact O-N 2.63Å
388	D	90.1	Very high	91.2	Very high	19 Å²	19	33.5 Å²	33.5	10%	0.102	19%	0.191	C	C	.	.			trans	-72.6	125.6	-171.1	-63.8	-78.3	0	0	0	112	T383 G386 A457 K811	T383-D388 PolarHBondContact N-O 2.79Å; T383-D388 VanDerWaalsContact N-O 3.11Å; T383-D388 PolarHBondContact OG1-N 3.48Å; T383-D388 PolarHBondContact OG1-O 2.83Å; G386-D388 PolarHBondContact O-N 3.08Å; D388-A457 HydrophobicContact CB-CB 4.19Å; D388-A457 WeakPolarHBondContact OD1-CB 3.29Å; D388-A457 WeakPolarHBondContact OD2-CB 3.46Å; D388-K811 IonicContact OD1-NZ 3.39Å
389	T	94.9	Very high	91	Very high	18 Å²	18	28.4 Å²	28.4	11%	0.11	17%	0.169	C	C	.	.			trans	-136.5	146.6	171.6	-172.1	0	0	0	0	111.5	L341 H380 L381 Y382 G387 F391 A453	L341-T389 HydrophobicContact CD2-CG2 4.26Å; H380-T389 PolarHBondContact CE1-OG1 3.13Å; L381-T389 WeakPolarHBondContact O-CB 3.36Å; L381-T389 PolarHBondContact O-OG1 3.36Å; Y382-T389 HydrophobicContact CD2-CG2 3.87Å; Y382-T389 HydrophobicContact CE2-CG2 3.68Å; G387-T389 PolarHBondContact O-N 2.63Å; T389-F391 VanDerWaalsContact C-N 3.26Å; T389-F391 HydrophobicContact CG2-CB 4.2Å; T389-F391 PolarHBondContact O-N 2.64Å; T389-A453 WeakPolarHBondContact O-CB 3.15Å
390	D	95.7	Very high	91.1	Very high	4 Å²	4	26 Å²	26	2%	0.021	16%	0.159	C	C	.	.			trans	-85.3	6.7	178.6	-70.4	-27.8	0	0	0	113	T392 S404 A452 A453 Y454	D390-T392 PolarHBondContact O-N 2.79Å; D390-T392 VanDerWaalsContact O-N 3.13Å; D390-T392 PolarHBondContact O-OG1 2.71Å; D390-S404 VanDerWaalsContact OD2-CB 3.24Å; D390-S404 WeakPolarHBondContact OD2-CB 3.44Å; D390-S404 PolarHBondContact OD2-OG 3.25Å; D390-A452 HydrophobicContact CB-CB 3.96Å; D390-A452 WeakPolarHBondContact OD1-CA 3.33Å; D390-A452 WeakPolarHBondContact OD1-CB 3.43Å; D390-A453 PolarHBondContact OD1-N 3.19Å; D390-Y454 WeakPolarHBondContact OD1-CB 3.3Å; D390-Y454 PolarHBondContact OD1-N 2.85Å
391	F	97.3	Very high	91.1	Very high	25 Å²	25	26.6 Å²	26.6	11%	0.11	16%	0.162	C	C	.	.			trans	-62.5	114	-177	-171.1	-87	0	0	0	112.1	L341 A342 F349 I363 H380 T389 F401 T403 W425	L341-F391 HydrophobicContact CB-CD1 3.75Å; L341-F391 HydrophobicContact CB-CD2 4.35Å; L341-F391 HydrophobicContact CB-CE1 3.81Å; L341-F391 HydrophobicContact CB-CE2 4.39Å; L341-F391 HydrophobicContact CB-CG 4.04Å; L341-F391 HydrophobicContact CB-CZ 4.14Å; L341-F391 HydrophobicContact CD1-CD2 3.93Å; L341-F391 HydrophobicContact CD1-CE2 4.2Å; L341-F391 HydrophobicContact CD1-CG 4.22Å; L341-F391 HydrophobicContact CD2-CB 4.18Å; L341-F391 HydrophobicContact CD2-CG 4.29Å; L341-F391 HydrophobicContact CG-CG 4.42Å; A342-F391 HydrophobicContact CB-CE1 3.92Å; A342-F391 HydrophobicContact CB-CZ 4.5Å; F349-F391 HydrophobicContact CB-CZ 4.27Å; F349-F391 HydrophobicContact CD1-CE2 4.34Å; F349-F391 HydrophobicContact CD1-CZ 4.11Å; F349-F391 HydrophobicContact CD2-CZ 4.23Å; F349-F391 HydrophobicContact CE1-CZ 4.45Å; F349-F391 AromaticContact CG-CZ 3.97Å; F349-F391 HydrophobicContact CG-CZ 3.97Å; I363-F391 HydrophobicContact CD1-CD2 3.89Å; I363-F391 HydrophobicContact CD1-CE2 3.86Å; H380-F391 AromaticContact NE2-CD2 3.85Å; T389-F391 VanDerWaalsContact C-N 3.26Å; T389-F391 HydrophobicContact CG2-CB 4.2Å; T389-F391 PolarHBondContact O-N 2.64Å; F391-F401 AromaticContact CE1-CD1 3.87Å; F391-F401 HydrophobicContact CE1-CD1 3.87Å; F391-F401 HydrophobicContact CE1-CE1 4.38Å; F391-F401 HydrophobicContact CE2-CD1 4.48Å; F391-F401 HydrophobicContact CZ-CB 4.38Å; F391-F401 AromaticContact CZ-CD1 3.56Å; F391-F401 HydrophobicContact CZ-CD1 3.56Å; F391-F401 HydrophobicContact CZ-CE1 4.24Å; F391-F401 HydrophobicContact CZ-CG 4.21Å; F391-T403 WeakPolarHBondContact CA-OG1 3.02Å; F391-T403 HydrophobicContact CD2-CG2 4.36Å; F391-T403 PolarHBondContact N-OG1 3.06Å; F391-W425 HydrophobicContact CE2-CH2 4.04Å; F391-W425 HydrophobicContact CE2-CZ2 4.48Å
392	T	96.7	Very high	91.1	Very high	24 Å²	24	26.7 Å²	26.7	15%	0.147	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115.6	-170.3	-56.3	0	0	0	0	110	D390 F401 I402 P466	D390-T392 PolarHBondContact O-N 2.79Å; D390-T392 VanDerWaalsContact O-N 3.13Å; D390-T392 PolarHBondContact O-OG1 2.71Å; T392-F401 WeakPolarHBondContact O-CA 3.41Å; T392-I402 PolarHBondContact N-O 2.71Å; T392-I402 PolarHBondContact O-N 2.98Å; T392-P466 HydrophobicContact CG2-CB 4.33Å
393	N	95.8	Very high	91.2	Very high	77 Å²	77	26.6 Å²	26.6	41%	0.412	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.4	167.5	179.4	10.4	0	0	0	109.6	T395 F401	N393-T395 PolarHBondContact O-N 3.1Å; N393-T395 VanDerWaalsContact O-N 3.1Å; N393-F401 HydrophobicContact CB-CD1 4.11Å; N393-F401 HydrophobicContact CB-CE1 3.87Å
394	V	96.9	Very high	91.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	16%	0.155	C	C	.	.			trans	-85.2	85	179.5	171.5	0	0	0	0	108.4	S396 L397 V400 I402 T468 I476	V394-S396 PolarHBondContact O-N 3.25Å; V394-L397 PolarHBondContact O-N 2.84Å; V394-L397 VanDerWaalsContact O-N 3.08Å; V394-V400 HydrophobicContact CB-CB 3.83Å; V394-V400 HydrophobicContact CB-CG1 3.77Å; V394-V400 WeakPolarHBondContact CB-O 3.45Å; V394-V400 HydrophobicContact CG1-CB 4.08Å; V394-V400 HydrophobicContact CG1-CG1 4Å; V394-V400 HydrophobicContact CG2-CB 4.46Å; V394-V400 HydrophobicContact CG2-CG1 3.86Å; V394-V400 PolarHBondContact N-O 2.85Å; V394-I402 HydrophobicContact CG2-CD1 3.71Å; V394-I402 HydrophobicContact CG2-CG1 3.92Å; V394-T468 HydrophobicContact CB-CG2 4.46Å; V394-T468 HydrophobicContact CG1-CG2 4.13Å; V394-I476 HydrophobicContact CG1-CD1 3.61Å; V394-I476 HydrophobicContact CG1-CG1 3.9Å; V394-I476 HydrophobicContact CG2-CD1 4.05Å
395	T	95.4	Very high	92.2	Very high	60 Å²	60	24 Å²	24	37%	0.368	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.7	-171.4	66	0	0	0	0	114	N393 T468 E469 P470	N393-T395 PolarHBondContact O-N 3.1Å; N393-T395 VanDerWaalsContact O-N 3.1Å; T395-T468 PolarHBondContact N-OG1 3.02Å; T395-T468 VanDerWaalsContact OG1-C 3.29Å; T395-T468 PolarHBondContact OG1-O 2.77Å; T395-T468 PolarHBondContact OG1-OG1 2.81Å; T395-E469 PolarHBondContact OG1-N 3.31Å; T395-P470 WeakPolarHBondContact O-CA 3.37Å
396	S	95.6	Very high	93.1	Very high	6 Å²	6	20 Å²	20	4%	0.042	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.9	178.2	53.8	0	0	0	0	114.7	V394 E469 A472 G474 L475	V394-S396 PolarHBondContact O-N 3.25Å; S396-E469 WeakPolarHBondContact CB-O 3.18Å; S396-A472 WeakPolarHBondContact CB-O 3.5Å; S396-G474 PolarHBondContact O-N 2.87Å; S396-L475 VanDerWaalsContact CB-O 3.26Å; S396-L475 WeakPolarHBondContact CB-O 3.43Å; S396-L475 PolarHBondContact OG-O 2.72Å
397	L	94.4	Very high	94	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-146.4	127.6	171.7	-170.8	61.6	0	0	0	112.8	V394 V400 D499 Y502 W609 A611	V394-L397 PolarHBondContact O-N 2.84Å; V394-L397 VanDerWaalsContact O-N 3.08Å; L397-V400 HydrophobicContact CB-CG2 3.99Å; L397-V400 HydrophobicContact CD2-CG2 3.94Å; L397-V400 HydrophobicContact CG-CG2 3.9Å; L397-V400 PolarHBondContact O-N 2.82Å; L397-D499 WeakPolarHBondContact CD2-O 3.3Å; L397-Y502 HydrophobicContact CD2-CE2 4.35Å; L397-W609 HydrophobicContact CD1-CH2 4.14Å; L397-W609 HydrophobicContact CD1-CZ3 4.22Å; L397-W609 HydrophobicContact CD2-CH2 4.31Å; L397-A611 HydrophobicContact CD1-CB 3.93Å
398	R	90.8	Very high	94	Very high	61 Å²	61	24.7 Å²	24.7	23%	0.23	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	139.2	-173.6	-175	179.3	59.8	90.9	5.3	112.4	V400 H612 M624 Y627 E629	R398-V400 PolarHBondContact O-N 3.29Å; R398-H612 PolarHBondContact O-CE1 3.23Å; R398-H612 VanDerWaalsContact O-CE1 3.23Å; R398-H612 PolarHBondContact O-NE2 3.06Å; R398-M624 PolarHBondContact NH1-O 3.39Å; R398-M624 PolarHBondContact NH2-O 2.94Å; R398-Y627 WeakPolarHBondContact CD-OH 3.31Å; R398-Y627 VanDerWaalsContact CZ-CE1 3.49Å; R398-Y627 VanDerWaalsContact CZ-OH 3.32Å; R398-Y627 PolarHBondContact NE-OH 2.02Å; R398-Y627 VanDerWaalsContact NE-OH 3.14Å; R398-Y627 VanDerWaalsContact NH1-CE1 3.32Å; R398-E629 IonicContact CZ-OE2 2.71Å; R398-E629 IonicContact NE-OE1 3.23Å; R398-E629 PolarHBondContact NE-OE1 3.35Å; R398-E629 IonicContact NE-OE2 3.81Å; R398-E629 PolarHBondContact NE-OE2 3.34Å; R398-E629 IonicContact NH2-OE2 2.91Å; R398-E629 PolarHBondContact NH2-OE2 2.88Å
399	G	89	Confident	93.4	Very high	6 Å²	6	27.8 Å²	27.8	6%	0.062	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-2.5	176.3	0	0	0	0	0	114.6	F401 F419 Q421	G399-F401 WeakPolarHBondContact O-CD2 3.45Å; G399-F419 CarbonylContact C-O 3.53Å; G399-F419 CarbonylContact O-C 3.56Å; G399-F419 VanDerWaalsContact O-C 3.27Å; G399-Q421 WeakPolarHBondContact O-CA 3.36Å; G399-Q421 PolarHBondContact O-N 2.91Å
400	V	95.1	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.			trans	-92.5	128.7	-176.8	-173.3	0	0	0	0	112	V394 L397 R398 V417 S418 F419 G500	V394-V400 HydrophobicContact CB-CB 3.83Å; V394-V400 HydrophobicContact CB-CG1 3.77Å; V394-V400 WeakPolarHBondContact CB-O 3.45Å; V394-V400 HydrophobicContact CG1-CB 4.08Å; V394-V400 HydrophobicContact CG1-CG1 4Å; V394-V400 HydrophobicContact CG2-CB 4.46Å; V394-V400 HydrophobicContact CG2-CG1 3.86Å; V394-V400 PolarHBondContact N-O 2.85Å; L397-V400 HydrophobicContact CB-CG2 3.99Å; L397-V400 HydrophobicContact CD2-CG2 3.94Å; L397-V400 HydrophobicContact CG-CG2 3.9Å; L397-V400 PolarHBondContact O-N 2.82Å; R398-V400 PolarHBondContact O-N 3.29Å; V400-V417 HydrophobicContact CG1-CG2 3.94Å; V400-S418 VanDerWaalsContact CA-O 3.29Å; V400-S418 WeakPolarHBondContact CA-O 3.37Å; V400-F419 HydrophobicContact CG1-CD1 3.96Å; V400-F419 HydrophobicContact CG1-CE1 4.25Å; V400-F419 HydrophobicContact CG2-CD1 3.83Å; V400-G500 WeakPolarHBondContact CG1-O 3.14Å
401	F	96.4	Very high	92.3	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.057	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137	177.2	-62.6	-92	0	0	0	109.8	A342 F349 F391 T392 N393 G399 V417 S418 Q421 W425	A342-F401 HydrophobicContact CB-CE1 4.3Å; F349-F401 HydrophobicContact CD2-CE1 4.29Å; F349-F401 HydrophobicContact CD2-CZ 4.38Å; F349-F401 HydrophobicContact CE2-CD1 4.13Å; F349-F401 HydrophobicContact CE2-CD2 4.05Å; F349-F401 AromaticContact CE2-CE1 3.69Å; F349-F401 HydrophobicContact CE2-CE1 3.69Å; F349-F401 AromaticContact CE2-CE2 3.63Å; F349-F401 HydrophobicContact CE2-CE2 3.63Å; F349-F401 HydrophobicContact CE2-CG 4.3Å; F349-F401 AromaticContact CE2-CZ 3.45Å; F349-F401 HydrophobicContact CE2-CZ 3.45Å; F349-F401 VanDerWaalsContact CE2-CZ 3.45Å; F349-F401 HydrophobicContact CZ-CD1 4.3Å; F349-F401 AromaticContact CZ-CD2 3.71Å; F349-F401 HydrophobicContact CZ-CD2 3.71Å; F349-F401 HydrophobicContact CZ-CE1 4.27Å; F349-F401 AromaticContact CZ-CE2 3.71Å; F349-F401 HydrophobicContact CZ-CE2 3.71Å; F349-F401 HydrophobicContact CZ-CG 4.04Å; F349-F401 HydrophobicContact CZ-CZ 4Å; F391-F401 AromaticContact CE1-CD1 3.87Å; F391-F401 HydrophobicContact CE1-CD1 3.87Å; F391-F401 HydrophobicContact CE1-CE1 4.38Å; F391-F401 HydrophobicContact CE2-CD1 4.48Å; F391-F401 HydrophobicContact CZ-CB 4.38Å; F391-F401 AromaticContact CZ-CD1 3.56Å; F391-F401 HydrophobicContact CZ-CD1 3.56Å; F391-F401 HydrophobicContact CZ-CE1 4.24Å; F391-F401 HydrophobicContact CZ-CG 4.21Å; T392-F401 WeakPolarHBondContact O-CA 3.41Å; N393-F401 HydrophobicContact CB-CD1 4.11Å; N393-F401 HydrophobicContact CB-CE1 3.87Å; G399-F401 WeakPolarHBondContact O-CD2 3.45Å; F401-V417 CarbonylContact O-C 3.58Å; F401-V417 VanDerWaalsContact O-CA 3.31Å; F401-V417 WeakPolarHBondContact O-CA 3.4Å; F401-S418 PolarHBondContact N-O 3.41Å; F401-S418 PolarHBondContact O-N 2.04Å; F401-Q421 HydrophobicContact CE2-CB 4.49Å; F401-Q421 HydrophobicContact CE2-CG 4.06Å; F401-W425 HydrophobicContact CB-CH2 3.7Å; F401-W425 HydrophobicContact CB-CZ3 4.2Å; F401-W425 WeakPolarHBondContact O-CZ3 3.3Å
402	I	97.1	Very high	91.9	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.4	175.7	-63.3	170.1	0	0	0	107.9	T392 V394 V416 V417 L428 I450 I476 W504	T392-I402 PolarHBondContact N-O 2.71Å; T392-I402 PolarHBondContact O-N 2.98Å; V394-I402 HydrophobicContact CG2-CD1 3.71Å; V394-I402 HydrophobicContact CG2-CG1 3.92Å; I402-V416 WeakPolarHBondContact CA-O 3.37Å; I402-V417 HydrophobicContact CG1-CB 4.1Å; I402-V417 HydrophobicContact CG1-CG2 3.86Å; I402-L428 HydrophobicContact CD1-CD2 4.24Å; I402-L428 HydrophobicContact CG2-CD1 4.45Å; I402-L428 HydrophobicContact CG2-CD2 4.5Å; I402-I450 HydrophobicContact CG2-CG1 4.49Å; I402-I476 HydrophobicContact CD1-CD1 4.24Å; I402-W504 HydrophobicContact CD1-CZ2 4.19Å
403	T	97.5	Very high	91.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	177.5	170.7	-167.1	0	0	0	0	111.4	I363 L377 H380 F391 S415 V416 W425	I363-T403 HydrophobicContact CD1-CG2 4.41Å; L377-T403 HydrophobicContact CD2-CG2 3.46Å; L377-T403 VanDerWaalsContact CD2-CG2 3.46Å; H380-T403 PolarHBondContact CD2-OG1 2.69Å; H380-T403 VanDerWaalsContact CD2-OG1 3.24Å; H380-T403 PolarHBondContact NE2-OG1 3.25Å; F391-T403 WeakPolarHBondContact CA-OG1 3.02Å; F391-T403 HydrophobicContact CD2-CG2 4.36Å; F391-T403 PolarHBondContact N-OG1 3.06Å; T403-S415 CarbonylContact O-C 3.6Å; T403-S415 VanDerWaalsContact O-CA 3.29Å; T403-S415 WeakPolarHBondContact O-CA 3.37Å; T403-V416 HydrophobicContact CG2-CG2 4.05Å; T403-V416 PolarHBondContact N-O 2.83Å; T403-V416 PolarHBondContact O-N 2.86Å; T403-W425 HydrophobicContact CG2-CE3 4.35Å; T403-W425 HydrophobicContact CG2-CH2 4Å; T403-W425 HydrophobicContact CG2-CZ3 3.75Å
404	S	95.3	Very high	91.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.6	176	-72.6	0	0	0	0	112.4	L381 D390 Q414	L381-S404 WeakPolarHBondContact CB-O 3.37Å; L381-S404 PolarHBondContact N-O 2.86Å; D390-S404 VanDerWaalsContact OD2-CB 3.24Å; D390-S404 WeakPolarHBondContact OD2-CB 3.44Å; D390-S404 PolarHBondContact OD2-OG 3.25Å; S404-Q414 WeakPolarHBondContact CA-O 3.43Å
405	V	94.9	Very high	91.3	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.2	169.4	-64.4	0	0	0	0	111.5	L377 R379 V413 Q414 V416	L377-V405 HydrophobicContact CD1-CG1 3.85Å; L377-V405 HydrophobicContact CD2-CG1 3.7Å; L377-V405 HydrophobicContact CG-CG1 3.82Å; R379-V405 CarbonylContact O-C 3.49Å; R379-V405 VanDerWaalsContact O-CA 3.27Å; R379-V405 WeakPolarHBondContact O-CA 3.12Å; R379-V405 WeakPolarHBondContact O-CB 3.43Å; V405-V413 WeakPolarHBondContact O-CA 3.46Å; V405-Q414 HydrophobicContact CG2-CB 4.18Å; V405-Q414 WeakPolarHBondContact CG2-O 3.48Å; V405-Q414 PolarHBondContact N-O 2.92Å; V405-Q414 PolarHBondContact O-N 3.05Å; V405-V416 HydrophobicContact CG1-CG2 4.08Å; V405-V416 HydrophobicContact CG2-CG1 4.2Å
406	L	92.8	Very high	91.3	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.094	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	104	177.9	-170.7	74.2	0	0	0	110.8	F360 R379 L381 K411 V413	F360-L406 HydrophobicContact CB-CB 4.47Å; F360-L406 HydrophobicContact CD1-CD2 3.71Å; F360-L406 HydrophobicContact CE1-CD2 4.39Å; R379-L406 VanDerWaalsContact CZ-O 3.25Å; R379-L406 PolarHBondContact NE-O 3.32Å; R379-L406 PolarHBondContact NH2-O 2.86Å; R379-L406 PolarHBondContact O-N 2.86Å; L381-L406 HydrophobicContact CD1-CB 4.41Å; L381-L406 HydrophobicContact CD1-CD1 4.4Å; L406-K411 HydrophobicContact CD1-CB 4.38Å; L406-K411 VanDerWaalsContact CD1-O 3.29Å; L406-K411 WeakPolarHBondContact CD1-O 3.44Å; L406-V413 HydrophobicContact CD1-CG2 3.97Å
407	A	88.3	Confident	91.3	Very high	7 Å²	7	32.3 Å²	32.3	6%	0.058	17%	0.172	C	C	.	.			trans	-62.2	136.5	-175.2	0	0	0	0	0	113.4	W55 A409 K411 S412	W55-A407 HydrophobicContact CH2-CB 4.4Å; A407-A409 PolarHBondContact O-N 2.96Å; A407-K411 WeakPolarHBondContact O-CA 3.29Å; A407-K411 PolarHBondContact O-N 3.25Å; A407-S412 WeakPolarHBondContact CB-O 3.47Å; A407-S412 PolarHBondContact N-O 3.34Å
408	E	83.4	Confident	91.2	Very high	152 Å²	152	32.1 Å²	32.1	71%	0.71	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-39.9	-175.4	-66.1	-169.1	149.1	0	0	114.4	R379	R379-E408 VanDerWaalsContact NE-CG 3.33Å
409	A	78.8	Confident	91.2	Very high	83 Å²	83	30.6 Å²	30.6	69%	0.686	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-31.3	-163.1	0	0	0	0	0	113.9	A407	A407-A409 PolarHBondContact O-N 2.96Å
410	D	81.8	Confident	91.1	Very high	79 Å²	79	31.5 Å²	31.5	42%	0.422	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	5.9	-173.9	47.3	29.6	0	0	0	113.6	S412 K441	D410-S412 PolarHBondContact O-N 3.08Å; D410-S412 VanDerWaalsContact OD1-CB 3.27Å; D410-S412 WeakPolarHBondContact OD1-CB 3.43Å; D410-S412 PolarHBondContact OD1-N 2.67Å; D410-S412 PolarHBondContact OD1-OG 3.05Å; D410-K441 IonicContact OD2-NZ 3.47Å; D410-K441 PolarHBondContact OD2-NZ 2.76Å
411	K	85.5	Confident	90.8	Very high	155 Å²	155	32.3 Å²	32.3	67%	0.674	17%	0.173	S	C	*	.			trans	52.3	29.1	-173.5	-64.5	-163.9	173.9	-159.5	0	113.5	L406 A407	L406-K411 HydrophobicContact CD1-CB 4.38Å; L406-K411 VanDerWaalsContact CD1-O 3.29Å; L406-K411 WeakPolarHBondContact CD1-O 3.44Å; A407-K411 WeakPolarHBondContact O-CA 3.29Å; A407-K411 PolarHBondContact O-N 3.25Å
412	S	88	Confident	90.3	Very high	23 Å²	23	32 Å²	32	16%	0.161	17%	0.174	C	C	.	.			trans	-77.3	145.9	174.6	64.2	0	0	0	0	111.2	A407 D410	A407-S412 WeakPolarHBondContact CB-O 3.47Å; A407-S412 PolarHBondContact N-O 3.34Å; D410-S412 PolarHBondContact O-N 3.08Å; D410-S412 VanDerWaalsContact OD1-CB 3.27Å; D410-S412 WeakPolarHBondContact OD1-CB 3.43Å; D410-S412 PolarHBondContact OD1-N 2.67Å; D410-S412 PolarHBondContact OD1-OG 3.05Å
413	V	91.1	Very high	89.5	Confident	18 Å²	18	32.6 Å²	32.6	11%	0.109	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.6	177.4	-175.6	0	0	0	0	109.2	L381 V405 L406 Y454 A486 I487	L381-V413 HydrophobicContact CD1-CG2 4.41Å; L381-V413 HydrophobicContact CD2-CG1 3.79Å; L381-V413 HydrophobicContact CD2-CG2 4.3Å; V405-V413 WeakPolarHBondContact O-CA 3.46Å; L406-V413 HydrophobicContact CD1-CG2 3.97Å; V413-Y454 HydrophobicContact CG2-CE1 4.11Å; V413-A486 CarbonylContact O-C 3.57Å; V413-A486 WeakPolarHBondContact O-CA 2.72Å; V413-A486 WeakPolarHBondContact O-CB 3.48Å; V413-I487 HydrophobicContact CB-CB 4.44Å; V413-I487 HydrophobicContact CB-CD1 4.15Å; V413-I487 HydrophobicContact CB-CG1 4.44Å; V413-I487 HydrophobicContact CG1-CD1 3.59Å; V413-I487 HydrophobicContact CG1-CG1 4.3Å; V413-I487 PolarHBondContact O-N 2.8Å
414	Q	92.2	Very high	88.8	Confident	19 Å²	19	37.8 Å²	37.8	9%	0.089	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.6	-175.7	-61.9	-177.7	-42	0	0	111	W55 S404 V405 D485	W55-Q414 VanDerWaalsContact CZ3-OE1 3.28Å; S404-Q414 WeakPolarHBondContact CA-O 3.43Å; V405-Q414 HydrophobicContact CG2-CB 4.18Å; V405-Q414 WeakPolarHBondContact CG2-O 3.48Å; V405-Q414 PolarHBondContact N-O 2.92Å; V405-Q414 PolarHBondContact O-N 3.05Å; Q414-D485 WeakPolarHBondContact CG-O 3.29Å; Q414-D485 PolarHBondContact NE2-O 3.13Å
415	S	94.4	Very high	88.5	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.8	173	-39.1	0	0	0	0	112	T403 L428 H449 I450	T403-S415 CarbonylContact O-C 3.6Å; T403-S415 VanDerWaalsContact O-CA 3.29Å; T403-S415 WeakPolarHBondContact O-CA 3.37Å; S415-L428 WeakPolarHBondContact O-CD1 3.31Å; S415-H449 PolarHBondContact N-ND1 3.49Å; S415-H449 WeakPolarHBondContact OG-CA 3.35Å; S415-I450 PolarHBondContact OG-N 3.15Å; S415-I450 PolarHBondContact OG-O 2.95Å
416	V	94.8	Very high	88.4	Confident	14 Å²	14	41 Å²	41	9%	0.085	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.9	175.1	-68.7	0	0	0	0	110.4	L377 I402 T403 V405 W425 V426 L428	L377-V416 HydrophobicContact CD1-CG2 4.44Å; L377-V416 HydrophobicContact CD2-CG2 3.98Å; I402-V416 WeakPolarHBondContact CA-O 3.37Å; T403-V416 HydrophobicContact CG2-CG2 4.05Å; T403-V416 PolarHBondContact N-O 2.83Å; T403-V416 PolarHBondContact O-N 2.86Å; V405-V416 HydrophobicContact CG1-CG2 4.08Å; V405-V416 HydrophobicContact CG2-CG1 4.2Å; V416-W425 HydrophobicContact CB-CB 4.49Å; V416-W425 HydrophobicContact CB-CE3 4.35Å; V416-W425 HydrophobicContact CG2-CD2 4.49Å; V416-W425 HydrophobicContact CG2-CE3 3.81Å; V416-W425 HydrophobicContact CG2-CZ3 4.46Å; V416-V426 CarbonylContact C-O 3.15Å; V416-V426 WeakPolarHBondContact CA-O 3.47Å; V416-L428 VanDerWaalsContact C-CD1 3.46Å
417	V	96	Very high	88.4	Confident	1 Å²	1	43 Å²	43	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	177.5	59.5	0	0	0	0	110.1	V400 F401 I402 F419 W425 V426 L428	V400-V417 HydrophobicContact CG1-CG2 3.94Å; F401-V417 CarbonylContact O-C 3.58Å; F401-V417 VanDerWaalsContact O-CA 3.31Å; F401-V417 WeakPolarHBondContact O-CA 3.4Å; I402-V417 HydrophobicContact CG1-CB 4.1Å; I402-V417 HydrophobicContact CG1-CG2 3.86Å; V417-F419 HydrophobicContact CB-CZ 4.34Å; V417-F419 HydrophobicContact CG1-CE1 4.48Å; V417-F419 HydrophobicContact CG1-CE2 3.68Å; V417-F419 HydrophobicContact CG1-CZ 3.61Å; V417-F419 HydrophobicContact CG2-CD1 4.18Å; V417-F419 HydrophobicContact CG2-CE1 3.73Å; V417-F419 HydrophobicContact CG2-CE2 4.12Å; V417-F419 HydrophobicContact CG2-CZ 3.71Å; V417-W425 WeakPolarHBondContact O-CA 3.48Å; V417-V426 HydrophobicContact CG1-CG2 3.95Å; V417-V426 PolarHBondContact N-O 3.24Å; V417-V426 PolarHBondContact O-N 2.82Å; V417-L428 HydrophobicContact CB-CD1 4Å; V417-L428 HydrophobicContact CB-CG 4Å; V417-L428 HydrophobicContact CG1-CD1 4.13Å; V417-L428 HydrophobicContact CG1-CG 3.84Å
418	S	93.1	Very high	88.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142	163.2	172.2	0	0	0	0	108.3	V400 F401 D420 G422 E424	V400-S418 VanDerWaalsContact CA-O 3.29Å; V400-S418 WeakPolarHBondContact CA-O 3.37Å; F401-S418 PolarHBondContact N-O 3.41Å; F401-S418 PolarHBondContact O-N 2.04Å; S418-D420 PolarHBondContact OG-N 2.9Å; S418-D420 PolarHBondContact OG-OD1 2.95Å; S418-G422 WeakPolarHBondContact OG-CA 3.44Å; S418-G422 PolarHBondContact OG-N 3.05Å; S418-E424 VanDerWaalsContact CA-O 3.32Å; S418-E424 WeakPolarHBondContact CA-O 3.43Å; S418-E424 WeakPolarHBondContact CB-O 3.46Å; S418-E424 PolarHBondContact OG-O 3.33Å
419	F	90.4	Very high	88.9	Confident	29 Å²	29	41.2 Å²	41.2	13%	0.127	22%	0.221	C	C	.	.	S	Bend	trans	-111	-12.1	173.9	-55	-81.2	0	0	0	112.4	G399 V400 V417 V426 Y502 M624	G399-F419 CarbonylContact C-O 3.53Å; G399-F419 CarbonylContact O-C 3.56Å; G399-F419 VanDerWaalsContact O-C 3.27Å; V400-F419 HydrophobicContact CG1-CD1 3.96Å; V400-F419 HydrophobicContact CG1-CE1 4.25Å; V400-F419 HydrophobicContact CG2-CD1 3.83Å; V417-F419 HydrophobicContact CB-CZ 4.34Å; V417-F419 HydrophobicContact CG1-CE1 4.48Å; V417-F419 HydrophobicContact CG1-CE2 3.68Å; V417-F419 HydrophobicContact CG1-CZ 3.61Å; V417-F419 HydrophobicContact CG2-CD1 4.18Å; V417-F419 HydrophobicContact CG2-CE1 3.73Å; V417-F419 HydrophobicContact CG2-CE2 4.12Å; V417-F419 HydrophobicContact CG2-CZ 3.71Å; F419-V426 HydrophobicContact CE2-CG2 4.04Å; F419-Y502 HydrophobicContact CB-CE2 4.44Å; F419-Y502 WeakPolarHBondContact CB-OH 3.39Å; F419-Y502 AromaticContact CD1-CD2 3.8Å; F419-Y502 HydrophobicContact CD1-CD2 3.8Å; F419-Y502 HydrophobicContact CD1-CE1 4.26Å; F419-Y502 AromaticContact CD1-CE2 3.26Å; F419-Y502 HydrophobicContact CD1-CE2 3.26Å; F419-Y502 HydrophobicContact CD1-CG 4.47Å; F419-Y502 AromaticContact CD1-CZ 3.53Å; F419-Y502 HydrophobicContact CD2-CE1 4.23Å; F419-Y502 HydrophobicContact CE1-CD1 4.36Å; F419-Y502 AromaticContact CE1-CD2 3.5Å; F419-Y502 HydrophobicContact CE1-CD2 3.5Å; F419-Y502 VanDerWaalsContact CE1-CD2 3.5Å; F419-Y502 HydrophobicContact CE1-CE1 4.37Å; F419-Y502 AromaticContact CE1-CE2 3.51Å; F419-Y502 HydrophobicContact CE1-CE2 3.51Å; F419-Y502 AromaticContact CE1-CG 3.94Å; F419-Y502 HydrophobicContact CE1-CG 3.94Å; F419-Y502 AromaticContact CE1-CZ 3.96Å; F419-Y502 HydrophobicContact CE2-CD1 4.46Å; F419-Y502 HydrophobicContact CE2-CE1 4.34Å; F419-Y502 HydrophobicContact CG-CE1 4.19Å; F419-Y502 AromaticContact CG-CE2 3.89Å; F419-Y502 HydrophobicContact CG-CE2 3.89Å; F419-Y502 AromaticContact CG-CZ 3.62Å; F419-Y502 HydrophobicContact CZ-CD1 4.24Å; F419-Y502 HydrophobicContact CZ-CD2 4.12Å; F419-Y502 HydrophobicContact CZ-CE1 4.4Å; F419-Y502 HydrophobicContact CZ-CE2 4.3Å; F419-Y502 HydrophobicContact CZ-CG 4.08Å; F419-M624 VanDerWaalsContact C-CE 3.49Å; F419-M624 HydrophobicContact CB-CE 3.99Å; F419-M624 WeakPolarHBondContact O-CE 3.29Å
420	D	85.6	Confident	89.4	Confident	26 Å²	26	39.8 Å²	39.8	14%	0.139	20%	0.2	C	C	.	.	S	Bend	trans	-108.9	30.8	-174	70.6	-22.2	0	0	0	112.3	S418 G422 G423 E424 M624 R670	S418-D420 PolarHBondContact OG-N 2.9Å; S418-D420 PolarHBondContact OG-OD1 2.95Å; D420-G422 VanDerWaalsContact C-N 3.28Å; D420-G422 PolarHBondContact O-N 2.73Å; D420-G423 PolarHBondContact OD1-N 3.24Å; D420-G423 WeakPolarHBondContact OD2-CA 3.29Å; D420-E424 VanDerWaalsContact CG-N 3.3Å; D420-E424 PolarHBondContact OD1-N 3.41Å; D420-E424 PolarHBondContact OD2-N 3.25Å; D420-M624 HydrophobicContact CB-CE 3.92Å; D420-R670 IonicContact OD2-NH1 3.21Å
421	Q	88.5	Confident	89.7	Confident	16 Å²	16	36.2 Å²	36.2	8%	0.075	18%	0.181	C	C	.	.	S	Bend	trans	60.9	35.1	176.8	-158.9	172.6	-81.7	0	0	113.3	M347 F349 G399 F401 L625 P708	M347-Q421 HydrophobicContact CE-CG 3.72Å; M347-Q421 HydrophobicContact SD-CG 4Å; M347-Q421 PolarHBondContact SD-NE2 3.1Å; F349-Q421 HydrophobicContact CE2-CG 4.36Å; F349-Q421 HydrophobicContact CZ-CG 4.3Å; F349-Q421 VanDerWaalsContact CZ-O 3.32Å; F349-Q421 WeakPolarHBondContact CZ-O 3.22Å; G399-Q421 WeakPolarHBondContact O-CA 3.36Å; G399-Q421 PolarHBondContact O-N 2.91Å; F401-Q421 HydrophobicContact CE2-CB 4.49Å; F401-Q421 HydrophobicContact CE2-CG 4.06Å; Q421-L625 HydrophobicContact CB-CD1 3.99Å; Q421-L625 HydrophobicContact CB-CD2 4.1Å; Q421-P708 PolarHBondContact NE2-O 3.05Å
422	G	87.1	Confident	89.4	Confident	7 Å²	7	32.2 Å²	32.2	7%	0.072	18%	0.177	C	C	.	.	S	Bend	trans	91.6	18.1	175.2	0	0	0	0	0	115.3	S376 S418 D420	S376-G422 WeakPolarHBondContact CB-O 3.26Å; S376-G422 PolarHBondContact OG-O 3.31Å; S418-G422 WeakPolarHBondContact OG-CA 3.44Å; S418-G422 PolarHBondContact OG-N 3.05Å; D420-G422 VanDerWaalsContact C-N 3.28Å; D420-G422 PolarHBondContact O-N 2.73Å
423	G	80.9	Confident	88.8	Confident	19 Å²	19	36.7 Å²	36.7	20%	0.196	20%	0.199	C	C	.	.	S	Bend	trans	-79.7	-36.4	174.2	0	0	0	0	0	113.3	D420 R670	D420-G423 PolarHBondContact OD1-N 3.24Å; D420-G423 WeakPolarHBondContact OD2-CA 3.29Å; G423-R670 PolarHBondContact O-NH1 3.5Å
424	E	82.4	Confident	88.2	Confident	110 Å²	110	37.1 Å²	37.1	51%	0.514	20%	0.201	S	C	.	.			trans	-139.6	144.5	171.2	-173	167.5	167.6	0	0	110.9	S418 D420 V426	S418-E424 VanDerWaalsContact CA-O 3.32Å; S418-E424 WeakPolarHBondContact CA-O 3.43Å; S418-E424 WeakPolarHBondContact CB-O 3.46Å; S418-E424 PolarHBondContact OG-O 3.33Å; D420-E424 VanDerWaalsContact CG-N 3.3Å; D420-E424 PolarHBondContact OD1-N 3.41Å; D420-E424 PolarHBondContact OD2-N 3.25Å; E424-V426 HydrophobicContact CG-CG1 4.23Å
425	W	89.4	Confident	87.7	Confident	33 Å²	33	45 Å²	45	13%	0.125	24%	0.236	C	C	.	.			trans	-123.2	126.1	178	-67.9	89.4	0	0	0	109.8	F349 I363 S376 L377 F391 F401 T403 V416 V417	F349-W425 HydrophobicContact CE1-CZ2 4.37Å; I363-W425 HydrophobicContact CD1-CZ2 4.22Å; S376-W425 PolarHBondContact OG-NE1 2.87Å; L377-W425 HydrophobicContact CB-CG 4.44Å; L377-W425 HydrophobicContact CD1-CB 3.95Å; L377-W425 HydrophobicContact CD1-CD2 4.32Å; L377-W425 HydrophobicContact CD1-CG 3.82Å; L377-W425 HydrophobicContact CD2-CD2 3.97Å; L377-W425 HydrophobicContact CD2-CE3 4.21Å; L377-W425 HydrophobicContact CD2-CG 4.34Å; L377-W425 HydrophobicContact CD2-CZ2 4.4Å; L377-W425 HydrophobicContact CG-CG 4.43Å; F391-W425 HydrophobicContact CE2-CH2 4.04Å; F391-W425 HydrophobicContact CE2-CZ2 4.48Å; F401-W425 HydrophobicContact CB-CH2 3.7Å; F401-W425 HydrophobicContact CB-CZ3 4.2Å; F401-W425 WeakPolarHBondContact O-CZ3 3.3Å; T403-W425 HydrophobicContact CG2-CE3 4.35Å; T403-W425 HydrophobicContact CG2-CH2 4Å; T403-W425 HydrophobicContact CG2-CZ3 3.75Å; V416-W425 HydrophobicContact CB-CB 4.49Å; V416-W425 HydrophobicContact CB-CE3 4.35Å; V416-W425 HydrophobicContact CG2-CD2 4.49Å; V416-W425 HydrophobicContact CG2-CE3 3.81Å; V416-W425 HydrophobicContact CG2-CZ3 4.46Å; V417-W425 WeakPolarHBondContact O-CA 3.48Å
426	V	91.2	Very high	87.2	Confident	50 Å²	50	46 Å²	46	30%	0.303	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.6	-177.3	-61.3	0	0	0	0	111.7	V416 V417 F419 E424	V416-V426 CarbonylContact C-O 3.15Å; V416-V426 WeakPolarHBondContact CA-O 3.47Å; V417-V426 HydrophobicContact CG1-CG2 3.95Å; V417-V426 PolarHBondContact N-O 3.24Å; V417-V426 PolarHBondContact O-N 2.82Å; F419-V426 HydrophobicContact CE2-CG2 4.04Å; E424-V426 HydrophobicContact CG-CG1 4.23Å
427	P	92.8	Very high	86.4	Confident	62 Å²	62	47.2 Å²	47.2	40%	0.403	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	140.5	172.9	-20.8	33.2	0	0	0	112	R429 S447	P427-R429 PolarHBondContact O-N 3.32Å; P427-S447 VanDerWaalsContact CB-OG 3.25Å; P427-S447 WeakPolarHBondContact CB-OG 3.29Å
428	L	92.9	Very high	85.4	Confident	1 Å²	1	52 Å²	52	1%	0.005	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-65.6	132.9	-178.7	-71.5	79.6	0	0	0	111.2	I402 S415 V416 V417 K430 S447 L448 I450 W504	I402-L428 HydrophobicContact CD1-CD2 4.24Å; I402-L428 HydrophobicContact CG2-CD1 4.45Å; I402-L428 HydrophobicContact CG2-CD2 4.5Å; S415-L428 WeakPolarHBondContact O-CD1 3.31Å; V416-L428 VanDerWaalsContact C-CD1 3.46Å; V417-L428 HydrophobicContact CB-CD1 4Å; V417-L428 HydrophobicContact CB-CG 4Å; V417-L428 HydrophobicContact CG1-CD1 4.13Å; V417-L428 HydrophobicContact CG1-CG 3.84Å; L428-K430 PolarHBondContact O-N 3.49Å; L428-S447 CarbonylContact O-C 3.04Å; L428-S447 WeakPolarHBondContact O-CA 3.13Å; L428-S447 WeakPolarHBondContact O-CB 3.33Å; L428-L448 HydrophobicContact CB-CB 4.07Å; L428-L448 PolarHBondContact O-N 2.79Å; L428-I450 HydrophobicContact CD2-CD1 4.18Å; L428-I450 HydrophobicContact CD2-CG1 3.73Å; L428-W504 HydrophobicContact CD2-CZ2 3.78Å
429	R	90.8	Very high	84.4	Confident	119 Å²	119	54 Å²	54	45%	0.449	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-65.1	122.2	-176.3	-172.2	-178.1	-171.1	171.1	5.4	111.6	P427 Y502	P427-R429 PolarHBondContact O-N 3.32Å; R429-Y502 WeakPolarHBondContact CD-O 3.04Å
430	K	88.2	Confident	83.8	Confident	53 Å²	53	53.5 Å²	53.5	23%	0.23	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-57.6	143.4	174.9	74.6	171.2	-150.2	70.5	0	112.1	L428 T434 C446 V483	L428-K430 PolarHBondContact O-N 3.49Å; K430-T434 PolarHBondContact NZ-O 2.76Å; K430-C446 WeakPolarHBondContact CB-O 3.06Å; K430-C446 WeakPolarHBondContact CD-SG 3.29Å; K430-V483 HydrophobicContact CB-CG1 3.68Å; K430-V483 HydrophobicContact CD-CG1 4.17Å
431	P	88.8	Confident	83.3	Confident	5 Å²	5	58 Å²	58	3%	0.032	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-54	141.8	168.2	-27.6	34.8	0	0	0	112.6	N433 T434 Y495 W504	P431-N433 VanDerWaalsContact C-N 3.34Å; P431-N433 PolarHBondContact O-N 3.28Å; P431-T434 PolarHBondContact O-N 3.38Å; P431-Y495 HydrophobicContact CG-CD1 3.8Å; P431-Y495 HydrophobicContact CG-CE1 3.81Å; P431-W504 WeakPolarHBondContact CA-O 3.4Å; P431-W504 VanDerWaalsContact CB-O 3.28Å; P431-W504 WeakPolarHBondContact CB-O 3.3Å; P431-W504 HydrophobicContact CG-CB 3.98Å
432	A	78.5	Confident	82.8	Confident	71 Å²	71	59.5 Å²	59.5	59%	0.587	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.5	-174.9	0	0	0	0	0	112.9
433	N	76.4	Confident	82.1	Confident	116 Å²	116	64 Å²	64	62%	0.62	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.6	-173.5	-61.2	-19.3	0	0	0	114	Q71 P431	Q71-N433 PolarHBondContact NE2-ND2 3.19Å; Q71-N433 PolarHBondContact OE1-ND2 2.94Å; P431-N433 VanDerWaalsContact C-N 3.34Å; P431-N433 PolarHBondContact O-N 3.28Å
434	T	78.8	Confident	81.8	Confident	27 Å²	27	69.9 Å²	69.9	17%	0.166	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-95.5	135.5	-178.3	-52.8	0	0	0	0	111.1	K430 P431 V483	K430-T434 PolarHBondContact NZ-O 2.76Å; P431-T434 PolarHBondContact O-N 3.38Å; T434-V483 HydrophobicContact CG2-CB 3.81Å; T434-V483 HydrophobicContact CG2-CG1 4Å; T434-V483 HydrophobicContact CG2-CG2 3.76Å
435	K	80.2	Confident	81.7	Confident	185 Å²	185	70.7 Å²	70.7	80%	0.804	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-81.8	153.4	172.5	-63.6	-176.4	179.5	-177.5	0	110.5
436	C	83.7	Confident	81.5	Confident	21 Å²	21	70 Å²	70	14%	0.142	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.7	144.8	169.3	-54.2	0	0	0	0	111.1	A440 P443 C446 V483	C436-A440 HydrophobicContact CB-CB 3.62Å; C436-P443 WeakPolarHBondContact CB-O 3.5Å; C436-P443 PolarHBondContact SG-O 2.93Å; C436-C446 WeakPolarHBondContact CA-SG 3.39Å; C436-C446 HydrophobicContact CB-CB 3.67Å; C436-C446 WeakPolarHBondContact CB-SG 3.47Å; C436-C446 WeakPolarHBondContact SG-CB 3.41Å; C436-C446 CovalentContact SG-SG 2.02Å; C436-C446 PolarHBondContact SG-SG 2.96Å; C436-V483 CarbonylContact C-O 3.38Å; C436-V483 WeakPolarHBondContact CA-O 3.47Å
437	D	78.5	Confident	81.4	Confident	41 Å²	41	68.9 Å²	68.9	22%	0.219	38%	0.379	C	S	.	.			trans	-89	-167.9	-179.6	81.5	-3.4	0	0	0	112.8	T439 A440 S482 V483	D437-T439 VanDerWaalsContact C-N 3.26Å; D437-T439 PolarHBondContact O-N 2.98Å; D437-T439 VanDerWaalsContact OD1-CB 3.32Å; D437-T439 WeakPolarHBondContact OD1-CB 3.47Å; D437-T439 PolarHBondContact OD1-N 3.27Å; D437-T439 PolarHBondContact OD1-OG1 3.05Å; D437-A440 PolarHBondContact O-N 2.67Å; D437-S482 VanDerWaalsContact OD2-CB 3.25Å; D437-S482 WeakPolarHBondContact OD2-CB 3.33Å; D437-V483 PolarHBondContact N-O 2.88Å
438	A	74.6	Confident	81.4	Confident	101 Å²	101	65.9 Å²	65.9	84%	0.835	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.9	-178.4	0	0	0	0	0	114.8
439	T	72.3	Confident	81.4	Confident	42 Å²	42	66 Å²	66	26%	0.258	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-28.6	172	69.8	0	0	0	0	111.6	D437 K441 G484 D485	D437-T439 VanDerWaalsContact C-N 3.26Å; D437-T439 PolarHBondContact O-N 2.98Å; D437-T439 VanDerWaalsContact OD1-CB 3.32Å; D437-T439 WeakPolarHBondContact OD1-CB 3.47Å; D437-T439 PolarHBondContact OD1-N 3.27Å; D437-T439 PolarHBondContact OD1-OG1 3.05Å; T439-K441 PolarHBondContact O-N 2.76Å; T439-G484 WeakPolarHBondContact OG1-CA 3.37Å; T439-D485 PolarHBondContact OG1-N 3.44Å
440	A	77.3	Confident	81.6	Confident	18 Å²	18	60.5 Å²	60.5	15%	0.149	34%	0.34	C	S	.	.			trans	-71.7	126	-172.7	0	0	0	0	0	113	C436 D437 D442 C446	C436-A440 HydrophobicContact CB-CB 3.62Å; D437-A440 PolarHBondContact O-N 2.67Å; A440-D442 VanDerWaalsContact C-N 3.27Å; A440-D442 PolarHBondContact O-N 2.79Å; A440-C446 HydrophobicContact CB-CB 4.12Å
441	K	77	Confident	81.8	Confident	120 Å²	120	58 Å²	58	52%	0.522	33%	0.329	S	S	.	.	S	Bend	trans	-74.2	-18.6	176.3	-66	154	-168.5	143.5	0	112.3	D410 T439 D485	D410-K441 IonicContact OD2-NZ 3.47Å; D410-K441 PolarHBondContact OD2-NZ 2.76Å; T439-K441 PolarHBondContact O-N 2.76Å; K441-D485 WeakPolarHBondContact CB-OD2 3.38Å; K441-D485 WeakPolarHBondContact CD-OD2 3.44Å; K441-D485 VanDerWaalsContact CG-OD2 3.22Å; K441-D485 WeakPolarHBondContact CG-OD2 3.5Å; K441-D485 PolarHBondContact N-OD2 2.74Å; K441-D485 IonicContact NZ-OD2 2.68Å
442	D	76.6	Confident	82.1	Confident	49 Å²	49	58 Å²	58	26%	0.262	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-130.5	113.9	176.3	-175.8	-20.1	0	0	0	109.6	A440 D444 K445	A440-D442 VanDerWaalsContact C-N 3.27Å; A440-D442 PolarHBondContact O-N 2.79Å; D442-D444 PolarHBondContact O-N 2.76Å; D442-D444 PolarHBondContact OD1-N 2.88Å; D442-K445 HydrophobicContact CB-CB 4.1Å; D442-K445 CarbonylContact O-C 3.42Å; D442-K445 PolarHBondContact O-N 3.25Å; D442-K445 IonicContact OD2-NZ 2.67Å; D442-K445 PolarHBondContact OD2-NZ 3.38Å
443	P	73.6	Confident	82.7	Confident	101 Å²	101	55.6 Å²	55.6	66%	0.656	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.8	-175.4	-26.2	35.7	0	0	0	116.2	C436	C436-P443 WeakPolarHBondContact CB-O 3.5Å; C436-P443 PolarHBondContact SG-O 2.93Å
444	D	74.8	Confident	83.5	Confident	142 Å²	142	52.6 Å²	52.6	76%	0.759	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-7.7	177.4	-69.3	-44.7	0	0	0	113.2	D442	D442-D444 PolarHBondContact O-N 2.76Å; D442-D444 PolarHBondContact OD1-N 2.88Å
445	K	79.1	Confident	84.1	Confident	127 Å²	127	51.3 Å²	51.3	55%	0.552	28%	0.282	S	S	*	.	B	Isolated β-bridge	trans	-128.1	114.7	178.8	-56.9	-170.3	-160.4	106.3	0	111.7	D442	D442-K445 HydrophobicContact CB-CB 4.1Å; D442-K445 CarbonylContact O-C 3.42Å; D442-K445 PolarHBondContact O-N 3.25Å; D442-K445 IonicContact OD2-NZ 2.67Å; D442-K445 PolarHBondContact OD2-NZ 3.38Å
446	C	85.4	Confident	84.6	Confident	18 Å²	18	45.2 Å²	45.2	12%	0.122	26%	0.258	C	S	.	.			trans	-161.6	164.1	176.8	52.8	0	0	0	0	109.4	K430 C436 A440 V483 G484	K430-C446 WeakPolarHBondContact CB-O 3.06Å; K430-C446 WeakPolarHBondContact CD-SG 3.29Å; C436-C446 WeakPolarHBondContact CA-SG 3.39Å; C436-C446 HydrophobicContact CB-CB 3.67Å; C436-C446 WeakPolarHBondContact CB-SG 3.47Å; C436-C446 WeakPolarHBondContact SG-CB 3.41Å; C436-C446 CovalentContact SG-SG 2.02Å; C436-C446 PolarHBondContact SG-SG 2.96Å; A440-C446 HydrophobicContact CB-CB 4.12Å; C446-V483 WeakPolarHBondContact SG-CG1 3.24Å; C446-G484 CarbonylContact C-O 3.52Å; C446-G484 WeakPolarHBondContact CA-O 3.44Å; C446-G484 WeakPolarHBondContact CB-O 3.22Å
447	S	89.9	Confident	84.9	Confident	27 Å²	27	46.2 Å²	46.2	19%	0.189	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	170.7	178.9	-54.8	0	0	0	0	110.7	P427 L428 V483 G484	P427-S447 VanDerWaalsContact CB-OG 3.25Å; P427-S447 WeakPolarHBondContact CB-OG 3.29Å; L428-S447 CarbonylContact O-C 3.04Å; L428-S447 WeakPolarHBondContact O-CA 3.13Å; L428-S447 WeakPolarHBondContact O-CB 3.33Å; S447-V483 CarbonylContact O-C 3.23Å; S447-V483 VanDerWaalsContact O-CA 3.26Å; S447-V483 WeakPolarHBondContact O-CA 3.22Å; S447-G484 PolarHBondContact N-O 3.26Å; S447-G484 PolarHBondContact O-N 3.32Å
448	L	91.8	Very high	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.1	164.3	-177.1	66	0	0	0	108.8	L428 I450 A480 V483 Y495 W504	L428-L448 HydrophobicContact CB-CB 4.07Å; L428-L448 PolarHBondContact O-N 2.79Å; L448-I450 HydrophobicContact CD2-CD1 3.85Å; L448-I450 HydrophobicContact CG-CD1 4.01Å; L448-A480 HydrophobicContact CD1-CB 3.7Å; L448-A480 HydrophobicContact CG-CB 4.41Å; L448-V483 HydrophobicContact CD1-CG2 3.7Å; L448-Y495 HydrophobicContact CD1-CD1 4.14Å; L448-Y495 HydrophobicContact CD1-CD2 4.24Å; L448-Y495 HydrophobicContact CD1-CE1 4.17Å; L448-Y495 HydrophobicContact CD1-CE2 4.25Å; L448-Y495 HydrophobicContact CD1-CG 4.18Å; L448-W504 HydrophobicContact CD2-CB 3.83Å; L448-W504 HydrophobicContact CD2-CD2 3.44Å; L448-W504 VanDerWaalsContact CD2-CD2 3.44Å; L448-W504 HydrophobicContact CD2-CE3 3.85Å; L448-W504 HydrophobicContact CD2-CG 3.43Å; L448-W504 VanDerWaalsContact CD2-CG 3.43Å
449	H	93.3	Very high	86	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.6	175.9	-59.4	-60.8	0	0	0	111.3	S415 A480 S482 G484 D485 A486 I487	S415-H449 PolarHBondContact N-ND1 3.49Å; S415-H449 WeakPolarHBondContact OG-CA 3.35Å; H449-A480 WeakPolarHBondContact O-CA 3.49Å; H449-A480 WeakPolarHBondContact O-CB 3.43Å; H449-S482 PolarHBondContact N-O 3.48Å; H449-G484 PolarHBondContact NE2-O 3.36Å; H449-D485 VanDerWaalsContact NE2-C 3.29Å; H449-A486 VanDerWaalsContact CD2-CA 3.49Å; H449-A486 WeakPolarHBondContact CD2-CA 3.37Å; H449-A486 PolarHBondContact CD2-N 2.71Å; H449-A486 PolarHBondContact CD2-O 3.25Å; H449-A486 VanDerWaalsContact CD2-O 3.23Å; H449-A486 PolarHBondContact NE2-N 3.3Å; H449-I487 HydrophobicContact CB-CG1 3.76Å
450	I	94.1	Very high	86.8	Confident	5 Å²	5	54 Å²	54	3%	0.026	28%	0.282	C	S	.	.			trans	-87.3	142.8	-171.6	-55.5	-57.7	0	0	0	109.9	I402 S415 L428 L448 P466 A478 A480 I487 W504	I402-I450 HydrophobicContact CG2-CG1 4.49Å; S415-I450 PolarHBondContact OG-N 3.15Å; S415-I450 PolarHBondContact OG-O 2.95Å; L428-I450 HydrophobicContact CD2-CD1 4.18Å; L428-I450 HydrophobicContact CD2-CG1 3.73Å; L448-I450 HydrophobicContact CD2-CD1 3.85Å; L448-I450 HydrophobicContact CG-CD1 4.01Å; I450-P466 HydrophobicContact CG2-CG 3.58Å; I450-A478 HydrophobicContact CD1-CB 4.03Å; I450-A478 HydrophobicContact CG2-CB 3.96Å; I450-A480 HydrophobicContact CD1-CB 4.4Å; I450-I487 WeakPolarHBondContact O-CD1 3.38Å; I450-W504 HydrophobicContact CD1-CH2 4.13Å; I450-W504 HydrophobicContact CD1-CZ2 4.47Å; I450-W504 HydrophobicContact CD1-CZ3 4.35Å
451	H	93.7	Very high	87.3	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.296	C	S	.	.			trans	-92.6	128.8	165.3	-65.7	-63.6	0	0	0	110.4	S455 V462 H479 G481 S488	H451-S455 VanDerWaalsContact ND1-CB 3.31Å; H451-S455 WeakPolarHBondContact ND1-CB 3.47Å; H451-S455 PolarHBondContact ND1-OG 3.17Å; H451-V462 HydrophobicContact CB-CB 4.36Å; H451-V462 HydrophobicContact CB-CG1 3.77Å; H451-V462 HydrophobicContact CB-CG2 3.66Å; H451-H479 HydrophobicContact CB-CB 4.32Å; H451-H479 PolarHBondContact N-O 3.24Å; H451-G481 PolarHBondContact CD2-N 2.68Å; H451-G481 VanDerWaalsContact CD2-N 3.26Å; H451-G481 VanDerWaalsContact NE2-CA 3.28Å; H451-G481 WeakPolarHBondContact NE2-CA 3.39Å; H451-G481 PolarHBondContact NE2-N 3.49Å; H451-S488 PolarHBondContact CE1-O 3Å
452	A	93.5	Very high	88	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.033	28%	0.275	C	S	.	.			trans	-130.9	-146.4	165.8	0	0	0	0	0	110	D390 Y454 S455 I456 P466	D390-A452 HydrophobicContact CB-CB 3.96Å; D390-A452 WeakPolarHBondContact OD1-CA 3.33Å; D390-A452 WeakPolarHBondContact OD1-CB 3.43Å; A452-Y454 VanDerWaalsContact C-N 3.35Å; A452-Y454 PolarHBondContact O-N 2.75Å; A452-S455 WeakPolarHBondContact O-CB 3.41Å; A452-S455 PolarHBondContact O-N 2.88Å; A452-I456 PolarHBondContact O-N 2.77Å; A452-P466 HydrophobicContact CB-CG 4.24Å
453	A	93.1	Very high	88.6	Confident	20 Å²	20	51.9 Å²	51.9	17%	0.165	27%	0.273	C	S	.	.	H	α-helix	trans	-53.8	-44	-167.4	0	0	0	0	0	113.9	T389 D390 S455 I456 A457	T389-A453 WeakPolarHBondContact O-CB 3.15Å; D390-A453 PolarHBondContact OD1-N 3.19Å; A453-S455 VanDerWaalsContact C-N 3.26Å; A453-S455 PolarHBondContact O-N 2.99Å; A453-I456 WeakPolarHBondContact O-CB 3.16Å; A453-I456 PolarHBondContact O-N 2.82Å; A453-A457 PolarHBondContact O-N 2.87Å
454	Y	91.8	Very high	89.5	Confident	53 Å²	53	48.8 Å²	48.8	21%	0.208	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-39	179.9	173.4	-103.9	0	0	0	112.1	L381 T383 D390 V413 A452 I456 A457 M458	L381-Y454 HydrophobicContact CD2-CD1 3.54Å; L381-Y454 HydrophobicContact CD2-CD2 3.96Å; L381-Y454 HydrophobicContact CD2-CE1 4.02Å; L381-Y454 HydrophobicContact CD2-CE2 4.39Å; L381-Y454 HydrophobicContact CD2-CG 3.51Å; T383-Y454 HydrophobicContact CG2-CD2 3.65Å; T383-Y454 HydrophobicContact CG2-CE2 3.66Å; D390-Y454 WeakPolarHBondContact OD1-CB 3.3Å; D390-Y454 PolarHBondContact OD1-N 2.85Å; V413-Y454 HydrophobicContact CG2-CE1 4.11Å; A452-Y454 VanDerWaalsContact C-N 3.35Å; A452-Y454 PolarHBondContact O-N 2.75Å; Y454-I456 VanDerWaalsContact C-N 3.31Å; Y454-I456 PolarHBondContact O-N 3.28Å; Y454-A457 PolarHBondContact O-N 3.41Å; Y454-M458 HydrophobicContact CD1-CG 4.36Å; Y454-M458 HydrophobicContact CD2-CG 4.17Å; Y454-M458 HydrophobicContact CE1-CG 3.95Å; Y454-M458 HydrophobicContact CE2-CG 3.73Å; Y454-M458 HydrophobicContact CE2-SD 4.15Å; Y454-M458 HydrophobicContact CG-CG 4.47Å; Y454-M458 VanDerWaalsContact O-CB 3.32Å; Y454-M458 WeakPolarHBondContact O-CB 3.23Å; Y454-M458 WeakPolarHBondContact O-CG 3.24Å; Y454-M458 PolarHBondContact O-N 3.27Å
455	S	91.3	Very high	90.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-68.5	-31.3	178.3	-65.8	0	0	0	0	112.8	H451 A452 A453 L460	H451-S455 VanDerWaalsContact ND1-CB 3.31Å; H451-S455 WeakPolarHBondContact ND1-CB 3.47Å; H451-S455 PolarHBondContact ND1-OG 3.17Å; A452-S455 WeakPolarHBondContact O-CB 3.41Å; A452-S455 PolarHBondContact O-N 2.88Å; A453-S455 VanDerWaalsContact C-N 3.26Å; A453-S455 PolarHBondContact O-N 2.99Å; S455-L460 WeakPolarHBondContact O-CB 3.37Å; S455-L460 WeakPolarHBondContact O-CG 2.98Å; S455-L460 PolarHBondContact O-N 3.34Å
456	I	91	Very high	91.3	Very high	57 Å²	57	40 Å²	40	29%	0.292	21%	0.214	S	C	.	.	H	α-helix	trans	-75.3	-44.6	176.8	-60.2	169.4	0	0	0	109.9	A452 A453 Y454 M458 K459 V462 P465	A452-I456 PolarHBondContact O-N 2.77Å; A453-I456 WeakPolarHBondContact O-CB 3.16Å; A453-I456 PolarHBondContact O-N 2.82Å; Y454-I456 VanDerWaalsContact C-N 3.31Å; Y454-I456 PolarHBondContact O-N 3.28Å; I456-M458 VanDerWaalsContact C-N 3.31Å; I456-M458 PolarHBondContact O-N 3.47Å; I456-K459 WeakPolarHBondContact O-CA 3.46Å; I456-K459 PolarHBondContact O-N 3.37Å; I456-V462 HydrophobicContact CD1-CG1 4.25Å; I456-V462 HydrophobicContact CG1-CB 4.07Å; I456-V462 HydrophobicContact CG1-CG1 3.73Å; I456-P465 HydrophobicContact CD1-CB 4.34Å
457	A	90.1	Very high	91.8	Very high	42 Å²	42	40.8 Å²	40.8	35%	0.347	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-37.5	175.6	0	0	0	0	0	113	D388 A453 Y454 K459	D388-A457 HydrophobicContact CB-CB 4.19Å; D388-A457 WeakPolarHBondContact OD1-CB 3.29Å; D388-A457 WeakPolarHBondContact OD2-CB 3.46Å; A453-A457 PolarHBondContact O-N 2.87Å; Y454-A457 PolarHBondContact O-N 3.41Å; A457-K459 PolarHBondContact O-N 2.03Å; A457-K459 VanDerWaalsContact O-N 3.16Å
458	M	88.6	Confident	92.2	Very high	111 Å²	111	40.4 Å²	40.4	55%	0.547	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	3.9	171.2	-69.1	-66	-70.8	0	0	114.1	Y454 I456 L460	Y454-M458 HydrophobicContact CD1-CG 4.36Å; Y454-M458 HydrophobicContact CD2-CG 4.17Å; Y454-M458 HydrophobicContact CE1-CG 3.95Å; Y454-M458 HydrophobicContact CE2-CG 3.73Å; Y454-M458 HydrophobicContact CE2-SD 4.15Å; Y454-M458 HydrophobicContact CG-CG 4.47Å; Y454-M458 VanDerWaalsContact O-CB 3.32Å; Y454-M458 WeakPolarHBondContact O-CB 3.23Å; Y454-M458 WeakPolarHBondContact O-CG 3.24Å; Y454-M458 PolarHBondContact O-N 3.27Å; I456-M458 VanDerWaalsContact C-N 3.31Å; I456-M458 PolarHBondContact O-N 3.47Å; M458-L460 VanDerWaalsContact C-N 3.32Å; M458-L460 HydrophobicContact CB-CG 4.47Å; M458-L460 PolarHBondContact O-N 2.71Å
459	K	88.6	Confident	92.4	Very high	189 Å²	189	42.3 Å²	42.3	82%	0.822	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	36.8	174.1	-57	173.4	-172.3	174	0	113.6	I456 A457	I456-K459 WeakPolarHBondContact O-CA 3.46Å; I456-K459 PolarHBondContact O-N 3.37Å; A457-K459 PolarHBondContact O-N 2.03Å; A457-K459 VanDerWaalsContact O-N 3.16Å
460	L	88.4	Confident	92.4	Very high	47 Å²	47	46.1 Å²	46.1	25%	0.246	25%	0.247	C	C	.	.			trans	-72.7	166.3	169.5	-57	-174.2	0	0	0	110.8	S455 M458 V462 V489	S455-L460 WeakPolarHBondContact O-CB 3.37Å; S455-L460 WeakPolarHBondContact O-CG 2.98Å; S455-L460 PolarHBondContact O-N 3.34Å; M458-L460 VanDerWaalsContact C-N 3.32Å; M458-L460 HydrophobicContact CB-CG 4.47Å; M458-L460 PolarHBondContact O-N 2.71Å; L460-V462 HydrophobicContact CB-CG2 3.99Å; L460-V462 PolarHBondContact O-N 3.17Å; L460-V489 HydrophobicContact CD2-CG1 3.92Å; L460-V489 HydrophobicContact CD2-CG2 4.46Å
461	E	87.6	Confident	92.4	Very high	97 Å²	97	46.3 Å²	46.3	45%	0.453	25%	0.248	S	C	.	.	S	Bend	trans	-74.4	71	172.1	-67.9	-173.7	-169.4	0	0	111	K491 S492	E461-K491 IonicContact OE1-NZ 3.73Å; E461-K491 PolarHBondContact OE1-NZ 3.3Å; E461-K491 WeakPolarHBondContact OE2-CG 3.47Å; E461-K491 IonicContact OE2-NZ 3.13Å; E461-K491 PolarHBondContact OE2-NZ 3.47Å; E461-S492 PolarHBondContact O-OG 2.89Å
462	V	91.1	Very high	92.5	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.067	25%	0.248	C	C	.	.			trans	-133.7	102.8	-179.1	-178.3	0	0	0	0	107.7	H451 I456 L460 H479	H451-V462 HydrophobicContact CB-CB 4.36Å; H451-V462 HydrophobicContact CB-CG1 3.77Å; H451-V462 HydrophobicContact CB-CG2 3.66Å; I456-V462 HydrophobicContact CD1-CG1 4.25Å; I456-V462 HydrophobicContact CG1-CB 4.07Å; I456-V462 HydrophobicContact CG1-CG1 3.73Å; L460-V462 HydrophobicContact CB-CG2 3.99Å; L460-V462 PolarHBondContact O-N 3.17Å; V462-H479 HydrophobicContact CG1-CB 4.22Å
463	P	90.8	Very high	92.6	Very high	34 Å²	34	46.4 Å²	46.4	22%	0.221	25%	0.248	C	C	.	.			trans	-74.9	-24.8	-172.9	23.6	-31.9	0	0	0	115.3	H479 P511 H512 H513	P463-H479 WeakPolarHBondContact CD-NE2 3.31Å; P463-H479 WeakPolarHBondContact CG-NE2 3.48Å; P463-P511 HydrophobicContact CG-CB 4.19Å; P463-H512 VanDerWaalsContact CG-O 3.26Å; P463-H512 WeakPolarHBondContact CG-O 3.26Å; P463-H513 WeakPolarHBondContact CB-CD2 3.43Å; P463-H513 WeakPolarHBondContact CB-NE2 2.98Å
464	M	92.8	Very high	92.6	Very high	36 Å²	36	45.4 Å²	45.4	18%	0.177	24%	0.24	C	C	.	.	S	Bend	trans	-159	158.5	-176.4	60.5	179.7	-62.3	0	0	110.9	L467 H479 H513 Y514	M464-L467 HydrophobicContact CE-CB 4.45Å; M464-H479 PolarHBondContact O-ND1 3.27Å; M464-H513 HydrophobicContact SD-CB 4.31Å; M464-Y514 HydrophobicContact CE-CD2 3.57Å; M464-Y514 HydrophobicContact CE-CE2 3.37Å; M464-Y514 WeakPolarHBondContact CE-O 3.3Å; M464-Y514 HydrophobicContact CG-CE1 4.45Å; M464-Y514 HydrophobicContact CG-CE2 4.06Å; M464-Y514 HydrophobicContact SD-CD1 4.32Å; M464-Y514 HydrophobicContact SD-CD2 3.54Å; M464-Y514 VanDerWaalsContact SD-CD2 3.54Å; M464-Y514 HydrophobicContact SD-CE1 4.35Å; M464-Y514 HydrophobicContact SD-CE2 3.52Å; M464-Y514 VanDerWaalsContact SD-CE2 3.52Å; M464-Y514 HydrophobicContact SD-CG 3.93Å; M464-Y514 PolarHBondContact SD-N 3.46Å
465	P	93.9	Very high	92.9	Very high	65 Å²	65	43 Å²	43	42%	0.422	23%	0.231	S	C	.	.			trans	-73.1	176.8	174.8	31.4	-36.9	0	0	0	112.5	I456 Y514	I456-P465 HydrophobicContact CD1-CB 4.34Å; P465-Y514 PolarHBondContact O-OH 2.84Å
466	P	96.3	Very high	93.2	Very high	20 Å²	20	43 Å²	43	13%	0.13	23%	0.231	C	C	.	.			trans	-57.8	138.1	173.4	-25.6	36.4	0	0	0	112.8	T392 I450 A452 M477 A478	T392-P466 HydrophobicContact CG2-CB 4.33Å; I450-P466 HydrophobicContact CG2-CG 3.58Å; A452-P466 HydrophobicContact CB-CG 4.24Å; P466-M477 CarbonylContact C-O 3.51Å; P466-M477 VanDerWaalsContact CA-O 3.31Å; P466-M477 WeakPolarHBondContact CA-O 3.32Å; P466-A478 HydrophobicContact CB-CB 4.01Å; P466-A478 HydrophobicContact CG-CB 4.12Å
467	L	96.9	Very high	93.5	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.178	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-107.3	128.3	176.5	178.1	63.8	0	0	0	110.5	M464 E469 M477 Y514 M516	M464-L467 HydrophobicContact CE-CB 4.45Å; L467-E469 HydrophobicContact CD1-CG 4.36Å; L467-M477 HydrophobicContact CB-CB 4.48Å; L467-M477 PolarHBondContact N-O 3.28Å; L467-M477 PolarHBondContact O-N 3.37Å; L467-Y514 HydrophobicContact CB-CD2 3.96Å; L467-Y514 HydrophobicContact CB-CE2 3.6Å; L467-Y514 HydrophobicContact CD2-CD2 4Å; L467-Y514 HydrophobicContact CD2-CE2 4.5Å; L467-M516 HydrophobicContact CD2-CB 4.4Å; L467-M516 HydrophobicContact CD2-CG 3.84Å; L467-M516 HydrophobicContact CD2-SD 4.46Å; L467-M516 HydrophobicContact CG-CE 4.19Å; L467-M516 HydrophobicContact CG-CG 4.29Å; L467-M516 HydrophobicContact CG-SD 4.26Å; L467-M516 WeakPolarHBondContact O-CE 3.42Å
468	T	96.9	Very high	93.8	Very high	20 Å²	20	38.4 Å²	38.4	12%	0.123	20%	0.201	C	C	.	.			trans	-138.3	147	169.2	65.2	0	0	0	0	108.4	V394 T395 I476	V394-T468 HydrophobicContact CB-CG2 4.46Å; V394-T468 HydrophobicContact CG1-CG2 4.13Å; T395-T468 PolarHBondContact N-OG1 3.02Å; T395-T468 VanDerWaalsContact OG1-C 3.29Å; T395-T468 PolarHBondContact OG1-O 2.77Å; T395-T468 PolarHBondContact OG1-OG1 2.81Å; T468-I476 HydrophobicContact CG2-CB 4.14Å; T468-I476 HydrophobicContact CG2-CG1 3.95Å; T468-I476 HydrophobicContact CG2-CG2 3.76Å
469	E	96.1	Very high	94.1	Very high	39 Å²	39	33.1 Å²	33.1	18%	0.182	18%	0.175	C	C	.	.			trans	-136.7	136.2	178.5	-75.8	-85	-155.2	0	0	109.1	T395 S396 L467 N471 A472 M516 A567	T395-E469 PolarHBondContact OG1-N 3.31Å; S396-E469 WeakPolarHBondContact CB-O 3.18Å; L467-E469 HydrophobicContact CD1-CG 4.36Å; E469-N471 VanDerWaalsContact C-N 3.26Å; E469-N471 PolarHBondContact O-N 3.19Å; E469-A472 HydrophobicContact CB-CB 4Å; E469-A472 WeakPolarHBondContact O-CA 3.49Å; E469-A472 WeakPolarHBondContact O-CB 3.1Å; E469-A472 PolarHBondContact O-N 3.4Å; E469-M516 HydrophobicContact CB-SD 3.95Å; E469-M516 HydrophobicContact CG-CB 4.43Å; E469-M516 HydrophobicContact CG-SD 3.99Å; E469-A567 HydrophobicContact CB-CB 4.21Å; E469-A567 HydrophobicContact CG-CB 3.75Å; E469-A567 PolarHBondContact OE1-N 3.34Å
470	P	94.8	Very high	93.9	Very high	82 Å²	82	24.1 Å²	24.1	53%	0.532	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.2	-170.3	28.6	-35.6	0	0	0	114.3	T395	T395-P470 WeakPolarHBondContact O-CA 3.37Å
471	N	94.3	Very high	92.8	Very high	9 Å²	9	22.4 Å²	22.4	5%	0.048	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-20.2	168.9	51.6	-28.8	0	0	0	113.1	E469 V473 S519 G566 V648	E469-N471 VanDerWaalsContact C-N 3.26Å; E469-N471 PolarHBondContact O-N 3.19Å; N471-V473 PolarHBondContact O-N 2.92Å; N471-S519 WeakPolarHBondContact ND2-CB 3.2Å; N471-S519 PolarHBondContact ND2-OG 3.17Å; N471-G566 PolarHBondContact ND2-O 2.85Å; N471-V648 HydrophobicContact CB-CG2 4.44Å
472	A	95.3	Very high	91.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	11%	0.109	C	C	.	.	S	Bend	trans	-91.9	64.4	179.5	0	0	0	0	0	111.2	S396 E469 G474 L475 M516 S519	S396-A472 WeakPolarHBondContact CB-O 3.5Å; E469-A472 HydrophobicContact CB-CB 4Å; E469-A472 WeakPolarHBondContact O-CA 3.49Å; E469-A472 WeakPolarHBondContact O-CB 3.1Å; E469-A472 PolarHBondContact O-N 3.4Å; A472-G474 PolarHBondContact O-N 3.02Å; A472-L475 HydrophobicContact CB-CB 4.2Å; A472-L475 HydrophobicContact CB-CD1 4.02Å; A472-L475 WeakPolarHBondContact O-CB 3.49Å; A472-L475 PolarHBondContact O-N 2.83Å; A472-M516 HydrophobicContact CB-SD 3.74Å; A472-S519 WeakPolarHBondContact CA-O 3.37Å
473	V	95.2	Very high	91.2	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.036	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	121.4	-168.8	-178	0	0	0	0	113.4	N471 L475 W609 F631 R633 V648	N471-V473 PolarHBondContact O-N 2.92Å; V473-L475 PolarHBondContact O-N 3.27Å; V473-W609 HydrophobicContact CG1-CE3 4.24Å; V473-W609 HydrophobicContact CG1-CZ3 3.88Å; V473-F631 HydrophobicContact CB-CD1 4.33Å; V473-F631 HydrophobicContact CG1-CB 4.32Å; V473-F631 HydrophobicContact CG1-CD1 3.54Å; V473-F631 HydrophobicContact CG1-CD2 4.22Å; V473-F631 HydrophobicContact CG1-CE1 3.78Å; V473-F631 HydrophobicContact CG1-CE2 4.44Å; V473-F631 HydrophobicContact CG1-CG 3.78Å; V473-F631 HydrophobicContact CG1-CZ 4.24Å; V473-F631 HydrophobicContact CG2-CD1 3.82Å; V473-F631 HydrophobicContact CG2-CE1 4.08Å; V473-R633 HydrophobicContact CB-CG 4.24Å; V473-R633 HydrophobicContact CG1-CG 4.32Å; V473-R633 VanDerWaalsContact O-CZ 3.26Å; V473-R633 PolarHBondContact O-NE 2.89Å; V473-V648 HydrophobicContact CG2-CB 4.38Å; V473-V648 HydrophobicContact CG2-CG1 3.5Å; V473-V648 VanDerWaalsContact CG2-CG1 3.5Å; V473-V648 HydrophobicContact CG2-CG2 3.88Å
474	G	94.1	Very high	90.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-4.1	179.4	0	0	0	0	0	115.5	S396 A472 D498 D499 G500	S396-G474 PolarHBondContact O-N 2.87Å; A472-G474 PolarHBondContact O-N 3.02Å; G474-D498 CarbonylContact O-C 3.57Å; G474-D499 PolarHBondContact O-N 3.36Å; G474-G500 PolarHBondContact O-N 2.98Å
475	L	96.9	Very high	90	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	9%	0.092	C	C	.	.			trans	-84.8	131.7	-176.5	-68.4	165	0	0	0	112.2	S396 A472 V473 S497 D498 M516 E542	S396-L475 VanDerWaalsContact CB-O 3.26Å; S396-L475 WeakPolarHBondContact CB-O 3.43Å; S396-L475 PolarHBondContact OG-O 2.72Å; A472-L475 HydrophobicContact CB-CB 4.2Å; A472-L475 HydrophobicContact CB-CD1 4.02Å; A472-L475 WeakPolarHBondContact O-CB 3.49Å; A472-L475 PolarHBondContact O-N 2.83Å; V473-L475 PolarHBondContact O-N 3.27Å; L475-S497 WeakPolarHBondContact CA-O 3.48Å; L475-D498 HydrophobicContact CD2-CB 4.09Å; L475-M516 HydrophobicContact CB-CE 4Å; L475-E542 HydrophobicContact CD1-CG 4.31Å; L475-E542 HydrophobicContact CD2-CB 3.77Å; L475-E542 HydrophobicContact CD2-CG 3.84Å
476	I	97.8	Very high	89.4	Confident	1 Å²	1	12.5 Å²	12.5	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130	170.7	-44.8	176	0	0	0	108.2	V394 I402 T468 V496 S497 W504	V394-I476 HydrophobicContact CG1-CD1 3.61Å; V394-I476 HydrophobicContact CG1-CG1 3.9Å; V394-I476 HydrophobicContact CG2-CD1 4.05Å; I402-I476 HydrophobicContact CD1-CD1 4.24Å; T468-I476 HydrophobicContact CG2-CB 4.14Å; T468-I476 HydrophobicContact CG2-CG1 3.95Å; T468-I476 HydrophobicContact CG2-CG2 3.76Å; I476-V496 VanDerWaalsContact O-CA 3.25Å; I476-V496 WeakPolarHBondContact O-CA 3.43Å; I476-S497 PolarHBondContact N-O 3.44Å; I476-S497 PolarHBondContact O-N 2.64Å; I476-W504 HydrophobicContact CB-CH2 3.92Å; I476-W504 HydrophobicContact CB-CZ3 4.25Å; I476-W504 HydrophobicContact CD1-CH2 4.01Å; I476-W504 HydrophobicContact CD1-CZ2 4.06Å; I476-W504 HydrophobicContact CG2-CH2 3.68Å; I476-W504 HydrophobicContact CG2-CZ3 4.19Å
477	M	97.2	Very high	88.4	Confident	1 Å²	1	12.9 Å²	12.9	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.4	166.2	-59.4	-166.8	70.6	0	0	109.3	P466 L467 V494 V496 Y514 M516 L523 W546	P466-M477 CarbonylContact C-O 3.51Å; P466-M477 VanDerWaalsContact CA-O 3.31Å; P466-M477 WeakPolarHBondContact CA-O 3.32Å; L467-M477 HydrophobicContact CB-CB 4.48Å; L467-M477 PolarHBondContact N-O 3.28Å; L467-M477 PolarHBondContact O-N 3.37Å; M477-V494 HydrophobicContact CE-CG1 4.32Å; M477-V496 HydrophobicContact CE-CG2 4.18Å; M477-V496 HydrophobicContact CG-CG2 4.16Å; M477-Y514 HydrophobicContact CB-CD1 4.38Å; M477-Y514 HydrophobicContact CB-CD2 3.79Å; M477-Y514 HydrophobicContact CB-CE1 4.33Å; M477-Y514 HydrophobicContact CB-CE2 3.77Å; M477-Y514 HydrophobicContact CB-CG 4.14Å; M477-Y514 HydrophobicContact CE-CD1 4.06Å; M477-Y514 HydrophobicContact CE-CD2 4.47Å; M477-Y514 HydrophobicContact CE-CG 3.81Å; M477-Y514 PolarHBondContact O-OH 3.01Å; M477-Y514 HydrophobicContact SD-CD2 4.22Å; M477-Y514 HydrophobicContact SD-CG 4.1Å; M477-M516 HydrophobicContact CG-CE 3.86Å; M477-L523 HydrophobicContact CE-CD1 4.47Å; M477-L523 HydrophobicContact SD-CB 4.37Å; M477-L523 HydrophobicContact SD-CD1 4.04Å; M477-L523 HydrophobicContact SD-CD2 4.07Å; M477-L523 HydrophobicContact SD-CG 4.4Å; M477-W546 HydrophobicContact CE-CH2 4Å; M477-W546 HydrophobicContact CE-CZ2 4.21Å
478	A	96.4	Very high	87.4	Confident	1 Å²	1	11.8 Å²	11.8	1%	0.008	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.3	-176.9	0	0	0	0	0	113	I450 P466 Y495 W504 Y514	I450-A478 HydrophobicContact CD1-CB 4.03Å; I450-A478 HydrophobicContact CG2-CB 3.96Å; P466-A478 HydrophobicContact CB-CB 4.01Å; P466-A478 HydrophobicContact CG-CB 4.12Å; A478-Y495 PolarHBondContact N-O 2.89Å; A478-Y495 PolarHBondContact O-N 2.78Å; A478-W504 HydrophobicContact CB-CH2 4.38Å; A478-W504 HydrophobicContact CB-CZ3 4.17Å; A478-Y514 WeakPolarHBondContact CA-OH 3.2Å
479	H	94.6	Very high	86.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.2	166.4	-58.8	83.2	0	0	0	111.1	H451 V462 P463 M464 D493 H512 Y514	H451-H479 HydrophobicContact CB-CB 4.32Å; H451-H479 PolarHBondContact N-O 3.24Å; V462-H479 HydrophobicContact CG1-CB 4.22Å; P463-H479 WeakPolarHBondContact CD-NE2 3.31Å; P463-H479 WeakPolarHBondContact CG-NE2 3.48Å; M464-H479 PolarHBondContact O-ND1 3.27Å; H479-D493 WeakPolarHBondContact CA-O 3.39Å; H479-H512 PolarHBondContact CE1-O 3.49Å; H479-H512 PolarHBondContact NE2-O 2.79Å; H479-Y514 AromaticContact CE1-CE1 3.2Å; H479-Y514 WeakPolarHBondContact CE1-CE1 3.4Å; H479-Y514 AromaticContact CE1-CZ 3.55Å; H479-Y514 PolarHBondContact CE1-OH 3.41Å; H479-Y514 AromaticContact ND1-CE1 3.7Å; H479-Y514 AromaticContact ND1-CZ 3.79Å; H479-Y514 PolarHBondContact ND1-OH 2.97Å; H479-Y514 VanDerWaalsContact ND1-OH 3.12Å; H479-Y514 AromaticContact NE2-CE1 3.76Å
480	A	85.1	Confident	85.2	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	126.7	167.9	0	0	0	0	0	110.5	L448 H449 I450 S482 D493 Y495	L448-A480 HydrophobicContact CD1-CB 3.7Å; L448-A480 HydrophobicContact CG-CB 4.41Å; H449-A480 WeakPolarHBondContact O-CA 3.49Å; H449-A480 WeakPolarHBondContact O-CB 3.43Å; I450-A480 HydrophobicContact CD1-CB 4.4Å; A480-S482 VanDerWaalsContact C-N 3.29Å; A480-D493 PolarHBondContact N-O 2.88Å; A480-D493 PolarHBondContact O-N 2.93Å; A480-Y495 HydrophobicContact CB-CD2 3.62Å; A480-Y495 HydrophobicContact CB-CE2 3.64Å
481	G	65	Low	84.1	Confident	10 Å²	10	21.8 Å²	21.8	10%	0.103	12%	0.119	C	C	.	.	S	Bend	trans	-78.6	-12.9	176.2	0	0	0	0	0	113.6	H451	H451-G481 PolarHBondContact CD2-N 2.68Å; H451-G481 VanDerWaalsContact CD2-N 3.26Å; H451-G481 VanDerWaalsContact NE2-CA 3.28Å; H451-G481 WeakPolarHBondContact NE2-CA 3.39Å; H451-G481 PolarHBondContact NE2-N 3.49Å
482	S	68.5	Low	83.8	Confident	3 Å²	3	21.4 Å²	21.4	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.6	-170.4	42.3	0	0	0	0	114.1	D437 H449 A480 A486 I487 S488	D437-S482 VanDerWaalsContact OD2-CB 3.25Å; D437-S482 WeakPolarHBondContact OD2-CB 3.33Å; H449-S482 PolarHBondContact N-O 3.48Å; A480-S482 VanDerWaalsContact C-N 3.29Å; S482-A486 WeakPolarHBondContact CB-O 3.39Å; S482-A486 PolarHBondContact OG-O 2.91Å; S482-I487 WeakPolarHBondContact OG-CA 3.25Å; S482-S488 PolarHBondContact OG-N 3.36Å; S482-S488 VanDerWaalsContact OG-N 3.11Å
483	V	77.2	Confident	83.6	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.024	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	99.8	151.6	164.3	0	0	0	0	104.6	K430 T434 C436 D437 C446 S447 L448 Y495	K430-V483 HydrophobicContact CB-CG1 3.68Å; K430-V483 HydrophobicContact CD-CG1 4.17Å; T434-V483 HydrophobicContact CG2-CB 3.81Å; T434-V483 HydrophobicContact CG2-CG1 4Å; T434-V483 HydrophobicContact CG2-CG2 3.76Å; C436-V483 CarbonylContact C-O 3.38Å; C436-V483 WeakPolarHBondContact CA-O 3.47Å; D437-V483 PolarHBondContact N-O 2.88Å; C446-V483 WeakPolarHBondContact SG-CG1 3.24Å; S447-V483 CarbonylContact O-C 3.23Å; S447-V483 VanDerWaalsContact O-CA 3.26Å; S447-V483 WeakPolarHBondContact O-CA 3.22Å; L448-V483 HydrophobicContact CD1-CG2 3.7Å; V483-Y495 HydrophobicContact CG2-CE1 4.4Å
484	G	78.8	Confident	83.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-163.7	-154.8	0	0	0	0	0	114.6	T439 C446 S447 H449	T439-G484 WeakPolarHBondContact OG1-CA 3.37Å; C446-G484 CarbonylContact C-O 3.52Å; C446-G484 WeakPolarHBondContact CA-O 3.44Å; C446-G484 WeakPolarHBondContact CB-O 3.22Å; S447-G484 PolarHBondContact N-O 3.26Å; S447-G484 PolarHBondContact O-N 3.32Å; H449-G484 PolarHBondContact NE2-O 3.36Å
485	D	79.4	Confident	83.6	Confident	18 Å²	18	22.9 Å²	22.9	10%	0.096	12%	0.124	C	C	.	.	S	Bend	trans	-92	-12.5	169.1	-79.5	0.7	0	0	0	112.2	Q414 T439 K441 H449	Q414-D485 WeakPolarHBondContact CG-O 3.29Å; Q414-D485 PolarHBondContact NE2-O 3.13Å; T439-D485 PolarHBondContact OG1-N 3.44Å; K441-D485 WeakPolarHBondContact CB-OD2 3.38Å; K441-D485 WeakPolarHBondContact CD-OD2 3.44Å; K441-D485 VanDerWaalsContact CG-OD2 3.22Å; K441-D485 WeakPolarHBondContact CG-OD2 3.5Å; K441-D485 PolarHBondContact N-OD2 2.74Å; K441-D485 IonicContact NZ-OD2 2.68Å; H449-D485 VanDerWaalsContact NE2-C 3.29Å
486	A	80.6	Confident	83.6	Confident	10 Å²	10	22.8 Å²	22.8	8%	0.083	12%	0.124	C	C	.	.	S	Bend	trans	-158.1	171.5	-179.2	0	0	0	0	0	112.7	V413 H449 S482 S488	V413-A486 CarbonylContact O-C 3.57Å; V413-A486 WeakPolarHBondContact O-CA 2.72Å; V413-A486 WeakPolarHBondContact O-CB 3.48Å; H449-A486 VanDerWaalsContact CD2-CA 3.49Å; H449-A486 WeakPolarHBondContact CD2-CA 3.37Å; H449-A486 PolarHBondContact CD2-N 2.71Å; H449-A486 PolarHBondContact CD2-O 3.25Å; H449-A486 VanDerWaalsContact CD2-O 3.23Å; H449-A486 PolarHBondContact NE2-N 3.3Å; S482-A486 WeakPolarHBondContact CB-O 3.39Å; S482-A486 PolarHBondContact OG-O 2.91Å; A486-S488 PolarHBondContact O-N 2.6Å
487	I	76.1	Confident	83.5	Confident	28 Å²	28	22.7 Å²	22.7	14%	0.144	12%	0.123	C	C	.	.			trans	-59.3	128.3	165.8	-65.2	-178.8	0	0	0	109.3	V413 H449 I450 S482	V413-I487 HydrophobicContact CB-CB 4.44Å; V413-I487 HydrophobicContact CB-CD1 4.15Å; V413-I487 HydrophobicContact CB-CG1 4.44Å; V413-I487 HydrophobicContact CG1-CD1 3.59Å; V413-I487 HydrophobicContact CG1-CG1 4.3Å; V413-I487 PolarHBondContact O-N 2.8Å; H449-I487 HydrophobicContact CB-CG1 3.76Å; I450-I487 WeakPolarHBondContact O-CD1 3.38Å; S482-I487 WeakPolarHBondContact OG-CA 3.25Å
488	S	75.2	Confident	83.4	Confident	11 Å²	11	23.8 Å²	23.8	8%	0.077	13%	0.129	C	C	.	.			trans	-100.7	154.3	177.3	-175.3	0	0	0	0	112.4	H451 S482 A486 I490	H451-S488 PolarHBondContact CE1-O 3Å; S482-S488 PolarHBondContact OG-N 3.36Å; S482-S488 VanDerWaalsContact OG-N 3.11Å; A486-S488 PolarHBondContact O-N 2.6Å; S488-I490 VanDerWaalsContact C-N 3.25Å; S488-I490 WeakPolarHBondContact OG-CB 3.41Å; S488-I490 WeakPolarHBondContact OG-CG1 3.29Å; S488-I490 PolarHBondContact OG-N 2.86Å
489	V	75.3	Confident	83.3	Confident	125 Å²	125	24.9 Å²	24.9	76%	0.758	14%	0.135	S	C	*	.	S	Bend	trans	-87.2	2.9	174.2	-177.9	0	0	0	0	111.1	L460	L460-V489 HydrophobicContact CD2-CG1 3.92Å; L460-V489 HydrophobicContact CD2-CG2 4.46Å
490	I	71.3	Confident	83.2	Confident	102 Å²	102	24.9 Å²	24.9	52%	0.523	14%	0.135	S	C	.	.	S	Bend	trans	-72.8	152.3	175.1	-64.9	171.3	0	0	0	109.9	S488 S492	S488-I490 VanDerWaalsContact C-N 3.25Å; S488-I490 WeakPolarHBondContact OG-CB 3.41Å; S488-I490 WeakPolarHBondContact OG-CG1 3.29Å; S488-I490 PolarHBondContact OG-N 2.86Å; I490-S492 PolarHBondContact O-N 2.91Å
491	K	72.9	Confident	83.7	Confident	124 Å²	124	24.9 Å²	24.9	54%	0.539	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-46.2	130	177.7	-63.9	-169.3	169.1	-80.7	0	111.8	E461	E461-K491 IonicContact OE1-NZ 3.73Å; E461-K491 PolarHBondContact OE1-NZ 3.3Å; E461-K491 WeakPolarHBondContact OE2-CG 3.47Å; E461-K491 IonicContact OE2-NZ 3.13Å; E461-K491 PolarHBondContact OE2-NZ 3.47Å
492	S	86.7	Confident	85	Confident	1 Å²	1	26 Å²	26	1%	0.007	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-71.1	146.7	-179.3	65.2	0	0	0	0	112.8	E461 I490 G510 P511	E461-S492 PolarHBondContact O-OG 2.89Å; I490-S492 PolarHBondContact O-N 2.91Å; S492-G510 CarbonylContact O-C 3.51Å; S492-G510 WeakPolarHBondContact O-CA 3.27Å; S492-P511 VanDerWaalsContact O-CD 3.3Å; S492-P511 WeakPolarHBondContact O-CD 3.42Å
493	D	92	Very high	86.2	Confident	32 Å²	32	28 Å²	28	17%	0.171	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	157.8	163.8	-68.3	-50.2	0	0	0	109	H479 A480 Y495 K506 N509 G510	H479-D493 WeakPolarHBondContact CA-O 3.39Å; A480-D493 PolarHBondContact N-O 2.88Å; A480-D493 PolarHBondContact O-N 2.93Å; D493-Y495 HydrophobicContact CB-CD2 4.42Å; D493-Y495 HydrophobicContact CB-CE2 3.7Å; D493-Y495 WeakPolarHBondContact O-CD2 3.47Å; D493-K506 HydrophobicContact CB-CD 4.03Å; D493-K506 HydrophobicContact CB-CG 4.28Å; D493-K506 WeakPolarHBondContact OD2-CE 3.41Å; D493-K506 IonicContact OD2-NZ 2.69Å; D493-K506 PolarHBondContact OD2-NZ 2.89Å; D493-N509 WeakPolarHBondContact OD1-CA 3.29Å; D493-G510 PolarHBondContact OD1-N 3.41Å
494	V	94.5	Very high	86.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.1	175.1	-174.4	0	0	0	0	110.2	M477 A507 L508 H512 Y514	M477-V494 HydrophobicContact CE-CG1 4.32Å; V494-A507 PolarHBondContact O-N 3.13Å; V494-L508 HydrophobicContact CB-CB 4.12Å; V494-L508 HydrophobicContact CG2-CB 4.42Å; V494-L508 PolarHBondContact N-O 3.37Å; V494-L508 PolarHBondContact O-N 2.82Å; V494-H512 HydrophobicContact CG2-CB 4.03Å; V494-Y514 HydrophobicContact CG1-CD1 3.79Å; V494-Y514 HydrophobicContact CG1-CE1 3.73Å; V494-Y514 HydrophobicContact CG2-CD1 4.21Å; V494-Y514 HydrophobicContact CG2-CE1 4.17Å
495	Y	94.9	Very high	87.6	Confident	6 Å²	6	30.6 Å²	30.6	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.4	174.7	-62.6	-100.2	0	0	0	110	P431 L448 A478 A480 V483 D493 I505 K506	P431-Y495 HydrophobicContact CG-CD1 3.8Å; P431-Y495 HydrophobicContact CG-CE1 3.81Å; L448-Y495 HydrophobicContact CD1-CD1 4.14Å; L448-Y495 HydrophobicContact CD1-CD2 4.24Å; L448-Y495 HydrophobicContact CD1-CE1 4.17Å; L448-Y495 HydrophobicContact CD1-CE2 4.25Å; L448-Y495 HydrophobicContact CD1-CG 4.18Å; A478-Y495 PolarHBondContact N-O 2.89Å; A478-Y495 PolarHBondContact O-N 2.78Å; A480-Y495 HydrophobicContact CB-CD2 3.62Å; A480-Y495 HydrophobicContact CB-CE2 3.64Å; V483-Y495 HydrophobicContact CG2-CE1 4.4Å; D493-Y495 HydrophobicContact CB-CD2 4.42Å; D493-Y495 HydrophobicContact CB-CE2 3.7Å; D493-Y495 WeakPolarHBondContact O-CD2 3.47Å; Y495-I505 CarbonylContact C-O 3.58Å; Y495-I505 WeakPolarHBondContact CA-O 3.47Å; Y495-I505 WeakPolarHBondContact CB-O 3.42Å; Y495-I505 WeakPolarHBondContact CD1-O 3.39Å; Y495-K506 HydrophobicContact CD1-CB 3.9Å; Y495-K506 HydrophobicContact CD1-CG 4.42Å; Y495-K506 HydrophobicContact CE1-CB 3.67Å; Y495-K506 HydrophobicContact CE1-CG 4.08Å; Y495-K506 WeakPolarHBondContact OH-CE 3.43Å
496	V	96.1	Very high	88.2	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.2	175.5	177	0	0	0	0	108.6	I476 M477 W504 I505 A507	I476-V496 VanDerWaalsContact O-CA 3.25Å; I476-V496 WeakPolarHBondContact O-CA 3.43Å; M477-V496 HydrophobicContact CE-CG2 4.18Å; M477-V496 HydrophobicContact CG-CG2 4.16Å; V496-W504 WeakPolarHBondContact O-CA 3.46Å; V496-I505 HydrophobicContact CB-CD1 4.49Å; V496-I505 HydrophobicContact CB-CG1 4.08Å; V496-I505 PolarHBondContact N-O 3.02Å; V496-I505 WeakPolarHBondContact O-CG1 3.47Å; V496-I505 PolarHBondContact O-N 2.77Å; V496-A507 HydrophobicContact CB-CB 4.26Å; V496-A507 HydrophobicContact CG2-CB 3.54Å
497	S	96.2	Very high	88.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142	160	-180	0	0	0	0	108.5	L475 I476 D499 G501 T503	L475-S497 WeakPolarHBondContact CA-O 3.48Å; I476-S497 PolarHBondContact N-O 3.44Å; I476-S497 PolarHBondContact O-N 2.64Å; S497-D499 PolarHBondContact OG-N 3.21Å; S497-D499 PolarHBondContact OG-OD1 3Å; S497-G501 WeakPolarHBondContact OG-CA 3.37Å; S497-G501 PolarHBondContact OG-N 2.81Å; S497-T503 WeakPolarHBondContact CA-O 3.26Å; S497-T503 WeakPolarHBondContact CB-O 3.29Å; S497-T503 PolarHBondContact OG-O 3.49Å
498	D	94.6	Very high	89.7	Confident	23 Å²	23	32.9 Å²	32.9	12%	0.123	17%	0.171	C	C	.	.	S	Bend	trans	-116.3	12.8	174.4	64	36.5	0	0	0	112.4	G474 L475 E542 Q544 R633 K636	G474-D498 CarbonylContact O-C 3.57Å; L475-D498 HydrophobicContact CD2-CB 4.09Å; D498-E542 HydrophobicContact CB-CB 4.36Å; D498-Q544 PolarHBondContact OD2-NE2 2.99Å; D498-R633 PolarHBondContact O-NH1 2.95Å; D498-R633 PolarHBondContact O-NH2 2.74Å; D498-K636 IonicContact OD1-NZ 2.84Å; D498-K636 PolarHBondContact OD1-NZ 3.41Å; D498-K636 WeakPolarHBondContact OD2-CE 3.48Å; D498-K636 IonicContact OD2-NZ 3.97Å; D498-K636 PolarHBondContact OD2-NZ 3.27Å
499	D	93.6	Very high	90.5	Very high	24 Å²	24	38 Å²	38	13%	0.128	20%	0.197	C	C	.	.	S	Bend	trans	-133.8	12.7	-178.1	61.2	21.6	0	0	0	114.1	L397 G474 S497 G501 Y502 T503 W609	L397-D499 WeakPolarHBondContact CD2-O 3.3Å; G474-D499 PolarHBondContact O-N 3.36Å; S497-D499 PolarHBondContact OG-N 3.21Å; S497-D499 PolarHBondContact OG-OD1 3Å; D499-G501 PolarHBondContact OD1-N 2.86Å; D499-Y502 WeakPolarHBondContact O-CD2 3.22Å; D499-Y502 PolarHBondContact OD1-N 3.28Å; D499-T503 VanDerWaalsContact CG-N 3.32Å; D499-T503 PolarHBondContact OD1-N 2.91Å; D499-T503 VanDerWaalsContact OD2-CB 3.24Å; D499-T503 WeakPolarHBondContact OD2-CB 3.38Å; D499-T503 WeakPolarHBondContact OD2-CG2 3.4Å; D499-T503 PolarHBondContact OD2-N 3.03Å; D499-T503 PolarHBondContact OD2-OG1 3.15Å; D499-W609 HydrophobicContact CB-CZ2 4.17Å
500	G	94.4	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	79.3	26.5	-178.3	0	0	0	0	0	114.2	V400 G474	V400-G500 WeakPolarHBondContact CG1-O 3.14Å; G474-G500 PolarHBondContact O-N 2.98Å
501	G	94.4	Very high	92.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	103.9	-0.2	169.1	0	0	0	0	0	115.7	S497 D499 W504	S497-G501 WeakPolarHBondContact OG-CA 3.37Å; S497-G501 PolarHBondContact OG-N 2.81Å; D499-G501 PolarHBondContact OD1-N 2.86Å; G501-W504 PolarHBondContact O-NE1 2.91Å
502	Y	93.1	Very high	93.4	Very high	33 Å²	33	22.7 Å²	22.7	13%	0.129	12%	0.123	C	C	.	.	S	Bend	trans	-71	-36.7	176.1	-73.6	-100.3	0	0	0	111.8	L397 F419 R429 D499 H612	L397-Y502 HydrophobicContact CD2-CE2 4.35Å; F419-Y502 HydrophobicContact CB-CE2 4.44Å; F419-Y502 WeakPolarHBondContact CB-OH 3.39Å; F419-Y502 AromaticContact CD1-CD2 3.8Å; F419-Y502 HydrophobicContact CD1-CD2 3.8Å; F419-Y502 HydrophobicContact CD1-CE1 4.26Å; F419-Y502 AromaticContact CD1-CE2 3.26Å; F419-Y502 HydrophobicContact CD1-CE2 3.26Å; F419-Y502 HydrophobicContact CD1-CG 4.47Å; F419-Y502 AromaticContact CD1-CZ 3.53Å; F419-Y502 HydrophobicContact CD2-CE1 4.23Å; F419-Y502 HydrophobicContact CE1-CD1 4.36Å; F419-Y502 AromaticContact CE1-CD2 3.5Å; F419-Y502 HydrophobicContact CE1-CD2 3.5Å; F419-Y502 VanDerWaalsContact CE1-CD2 3.5Å; F419-Y502 HydrophobicContact CE1-CE1 4.37Å; F419-Y502 AromaticContact CE1-CE2 3.51Å; F419-Y502 HydrophobicContact CE1-CE2 3.51Å; F419-Y502 AromaticContact CE1-CG 3.94Å; F419-Y502 HydrophobicContact CE1-CG 3.94Å; F419-Y502 AromaticContact CE1-CZ 3.96Å; F419-Y502 HydrophobicContact CE2-CD1 4.46Å; F419-Y502 HydrophobicContact CE2-CE1 4.34Å; F419-Y502 HydrophobicContact CG-CE1 4.19Å; F419-Y502 AromaticContact CG-CE2 3.89Å; F419-Y502 HydrophobicContact CG-CE2 3.89Å; F419-Y502 AromaticContact CG-CZ 3.62Å; F419-Y502 HydrophobicContact CZ-CD1 4.24Å; F419-Y502 HydrophobicContact CZ-CD2 4.12Å; F419-Y502 HydrophobicContact CZ-CE1 4.4Å; F419-Y502 HydrophobicContact CZ-CE2 4.3Å; F419-Y502 HydrophobicContact CZ-CG 4.08Å; R429-Y502 WeakPolarHBondContact CD-O 3.04Å; D499-Y502 WeakPolarHBondContact O-CD2 3.22Å; D499-Y502 PolarHBondContact OD1-N 3.28Å; Y502-H612 HydrophobicContact CE2-CB 4.45Å; Y502-H612 AromaticContact CE2-ND1 3.62Å; Y502-H612 AromaticContact CZ-ND1 3.7Å; Y502-H612 WeakPolarHBondContact OH-CB 3.21Å; Y502-H612 PolarHBondContact OH-ND1 2.9Å
503	T	92.8	Very high	93.9	Very high	45 Å²	45	24 Å²	24	28%	0.276	13%	0.129	S	C	.	.	S	Bend	trans	-135.6	154.2	172	77.9	0	0	0	0	112.2	S497 D499	S497-T503 WeakPolarHBondContact CA-O 3.26Å; S497-T503 WeakPolarHBondContact CB-O 3.29Å; S497-T503 PolarHBondContact OG-O 3.49Å; D499-T503 VanDerWaalsContact CG-N 3.32Å; D499-T503 PolarHBondContact OD1-N 2.91Å; D499-T503 VanDerWaalsContact OD2-CB 3.24Å; D499-T503 WeakPolarHBondContact OD2-CB 3.38Å; D499-T503 WeakPolarHBondContact OD2-CG2 3.4Å; D499-T503 PolarHBondContact OD2-N 3.03Å; D499-T503 PolarHBondContact OD2-OG1 3.15Å
504	W	93	Very high	94.1	Very high	9 Å²	9	22.7 Å²	22.7	3%	0.034	12%	0.122	C	C	.	.			trans	-138.5	143	-172.4	-66.6	85.4	0	0	0	110.9	I402 L428 P431 L448 I450 I476 A478 V496 G501	I402-W504 HydrophobicContact CD1-CZ2 4.19Å; L428-W504 HydrophobicContact CD2-CZ2 3.78Å; P431-W504 WeakPolarHBondContact CA-O 3.4Å; P431-W504 VanDerWaalsContact CB-O 3.28Å; P431-W504 WeakPolarHBondContact CB-O 3.3Å; P431-W504 HydrophobicContact CG-CB 3.98Å; L448-W504 HydrophobicContact CD2-CB 3.83Å; L448-W504 HydrophobicContact CD2-CD2 3.44Å; L448-W504 VanDerWaalsContact CD2-CD2 3.44Å; L448-W504 HydrophobicContact CD2-CE3 3.85Å; L448-W504 HydrophobicContact CD2-CG 3.43Å; L448-W504 VanDerWaalsContact CD2-CG 3.43Å; I450-W504 HydrophobicContact CD1-CH2 4.13Å; I450-W504 HydrophobicContact CD1-CZ2 4.47Å; I450-W504 HydrophobicContact CD1-CZ3 4.35Å; I476-W504 HydrophobicContact CB-CH2 3.92Å; I476-W504 HydrophobicContact CB-CZ3 4.25Å; I476-W504 HydrophobicContact CD1-CH2 4.01Å; I476-W504 HydrophobicContact CD1-CZ2 4.06Å; I476-W504 HydrophobicContact CG2-CH2 3.68Å; I476-W504 HydrophobicContact CG2-CZ3 4.19Å; A478-W504 HydrophobicContact CB-CH2 4.38Å; A478-W504 HydrophobicContact CB-CZ3 4.17Å; V496-W504 WeakPolarHBondContact O-CA 3.46Å; G501-W504 PolarHBondContact O-NE1 2.91Å
505	I	92.4	Very high	94.2	Very high	49 Å²	49	23 Å²	23	25%	0.251	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150	170.4	60.8	173.3	0	0	0	109.8	Y495 V496 Q544	Y495-I505 CarbonylContact C-O 3.58Å; Y495-I505 WeakPolarHBondContact CA-O 3.47Å; Y495-I505 WeakPolarHBondContact CB-O 3.42Å; Y495-I505 WeakPolarHBondContact CD1-O 3.39Å; V496-I505 HydrophobicContact CB-CD1 4.49Å; V496-I505 HydrophobicContact CB-CG1 4.08Å; V496-I505 PolarHBondContact N-O 3.02Å; V496-I505 WeakPolarHBondContact O-CG1 3.47Å; V496-I505 PolarHBondContact O-N 2.77Å; I505-Q544 HydrophobicContact CD1-CG 3.78Å
506	K	92.4	Very high	94.3	Very high	76 Å²	76	22.9 Å²	22.9	33%	0.33	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.2	165	-174.3	-178.7	-61.3	-164.8	0	107.7	D493 Y495 N509	D493-K506 HydrophobicContact CB-CD 4.03Å; D493-K506 HydrophobicContact CB-CG 4.28Å; D493-K506 WeakPolarHBondContact OD2-CE 3.41Å; D493-K506 IonicContact OD2-NZ 2.69Å; D493-K506 PolarHBondContact OD2-NZ 2.89Å; Y495-K506 HydrophobicContact CD1-CB 3.9Å; Y495-K506 HydrophobicContact CD1-CG 4.42Å; Y495-K506 HydrophobicContact CE1-CB 3.67Å; Y495-K506 HydrophobicContact CE1-CG 4.08Å; Y495-K506 WeakPolarHBondContact OH-CE 3.43Å; K506-N509 WeakPolarHBondContact CD-OD1 3.49Å
507	A	93.4	Very high	94.3	Very high	17 Å²	17	22.9 Å²	22.9	14%	0.14	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-44.7	-177.8	0	0	0	0	0	111.7	V494 V496 W546	V494-A507 PolarHBondContact O-N 3.13Å; V496-A507 HydrophobicContact CB-CB 4.26Å; V496-A507 HydrophobicContact CG2-CB 3.54Å; A507-W546 HydrophobicContact CB-CZ2 4.27Å
508	L	94	Very high	94.3	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.058	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.3	-177.9	-58.7	166.5	0	0	0	110.6	V494 H512 A525 K537 W546	V494-L508 HydrophobicContact CB-CB 4.12Å; V494-L508 HydrophobicContact CG2-CB 4.42Å; V494-L508 PolarHBondContact N-O 3.37Å; V494-L508 PolarHBondContact O-N 2.82Å; L508-H512 HydrophobicContact CD1-CB 4.42Å; L508-A525 HydrophobicContact CD1-CB 3.4Å; L508-A525 VanDerWaalsContact CD1-CB 3.4Å; L508-K537 HydrophobicContact CD2-CD 3.92Å; L508-W546 HydrophobicContact CD1-CD2 4.44Å; L508-W546 HydrophobicContact CD1-CE3 4.44Å; L508-W546 HydrophobicContact CD1-CH2 4.17Å; L508-W546 HydrophobicContact CD1-CZ2 4.16Å; L508-W546 HydrophobicContact CD1-CZ3 4.31Å; L508-W546 HydrophobicContact CD2-CB 4.35Å; L508-W546 HydrophobicContact CD2-CD2 3.73Å; L508-W546 HydrophobicContact CD2-CE3 4.21Å; L508-W546 HydrophobicContact CD2-CG 3.77Å; L508-W546 HydrophobicContact CG-CD2 4.25Å; L508-W546 HydrophobicContact CG-CZ2 4.32Å
509	N	92.3	Very high	94.3	Very high	118 Å²	118	22.1 Å²	22.1	63%	0.631	12%	0.121	S	C	*	.	S	Bend	trans	-91.7	132.3	173.7	-52.9	-74.8	0	0	0	109.9	D493 K506 H512	D493-N509 WeakPolarHBondContact OD1-CA 3.29Å; K506-N509 WeakPolarHBondContact CD-OD1 3.49Å; N509-H512 PolarHBondContact O-CE1 2.74Å
510	G	92	Very high	94.3	Very high	20 Å²	20	21.2 Å²	21.2	21%	0.206	12%	0.117	C	C	.	.	S	Bend	trans	83.3	163.9	-175.9	0	0	0	0	0	114.7	S492 D493 H512	S492-G510 CarbonylContact O-C 3.51Å; S492-G510 WeakPolarHBondContact O-CA 3.27Å; D493-G510 PolarHBondContact OD1-N 3.41Å; G510-H512 PolarHBondContact O-CE1 3.07Å; G510-H512 PolarHBondContact O-ND1 3.44Å
511	P	93.6	Very high	94.2	Very high	10 Å²	10	21.6 Å²	21.6	7%	0.065	12%	0.121	C	C	.	.			trans	-62.1	136.2	177	21.9	-32.9	0	0	0	113.1	P463 S492 D528	P463-P511 HydrophobicContact CG-CB 4.19Å; S492-P511 VanDerWaalsContact O-CD 3.3Å; S492-P511 WeakPolarHBondContact O-CD 3.42Å; P511-D528 VanDerWaalsContact CG-O 3.29Å; P511-D528 WeakPolarHBondContact CG-O 3.44Å; P511-D528 PolarHBondContact O-N 3.12Å
512	H	95.6	Very high	94.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.7	173.5	-65.6	64.4	0	0	0	111	P463 H479 V494 L508 N509 G510 A525 V526 E527 K537	P463-H512 VanDerWaalsContact CG-O 3.26Å; P463-H512 WeakPolarHBondContact CG-O 3.26Å; H479-H512 PolarHBondContact CE1-O 3.49Å; H479-H512 PolarHBondContact NE2-O 2.79Å; V494-H512 HydrophobicContact CG2-CB 4.03Å; L508-H512 HydrophobicContact CD1-CB 4.42Å; N509-H512 PolarHBondContact O-CE1 2.74Å; G510-H512 PolarHBondContact O-CE1 3.07Å; G510-H512 PolarHBondContact O-ND1 3.44Å; H512-A525 HydrophobicContact CB-CB 4.31Å; H512-V526 CarbonylContact C-O 3.32Å; H512-V526 WeakPolarHBondContact CA-O 3.39Å; H512-V526 VanDerWaalsContact CB-O 3.23Å; H512-V526 WeakPolarHBondContact CB-O 3.5Å; H512-E527 VanDerWaalsContact CD2-CA 3.45Å; H512-E527 WeakPolarHBondContact CD2-CA 3.09Å; H512-E527 PolarHBondContact CD2-N 3.24Å; H512-K537 PolarHBondContact NE2-NZ 3.35Å
513	H	96.6	Very high	94.4	Very high	28 Å²	28	20 Å²	20	13%	0.13	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.4	155.7	-66.6	-125.5	0	0	0	108	P463 M464 A525 V526 D528 F558 L561	P463-H513 WeakPolarHBondContact CB-CD2 3.43Å; P463-H513 WeakPolarHBondContact CB-NE2 2.98Å; M464-H513 HydrophobicContact SD-CB 4.31Å; H513-A525 CarbonylContact O-C 3.6Å; H513-A525 WeakPolarHBondContact O-CA 3.36Å; H513-V526 PolarHBondContact N-O 3.22Å; H513-V526 PolarHBondContact O-N 3.21Å; H513-D528 IonicContact CD2-OD2 2.66Å; H513-D528 PolarHBondContact CD2-OD2 3.39Å; H513-D528 IonicContact NE2-OD2 2.67Å; H513-D528 PolarHBondContact NE2-OD2 2.92Å; H513-F558 HydrophobicContact CB-CE1 4.27Å; H513-F558 HydrophobicContact CB-CZ 4Å; H513-F558 AromaticContact CD2-CE1 3.46Å; H513-F558 VanDerWaalsContact CD2-CE1 3.46Å; H513-F558 WeakPolarHBondContact CD2-CE1 3.46Å; H513-F558 AromaticContact CE1-CE1 3.8Å; H513-F558 AromaticContact CG-CE1 3.62Å; H513-F558 AromaticContact CG-CZ 3.76Å; H513-F558 AromaticContact ND1-CE1 3.83Å; H513-F558 AromaticContact ND1-CZ 3.95Å; H513-F558 AromaticContact NE2-CE1 3.56Å; H513-L561 HydrophobicContact CB-CD1 3.95Å; H513-L561 HydrophobicContact CB-CG 4.23Å
514	Y	96.9	Very high	94.6	Very high	6 Å²	6	17.9 Å²	17.9	2%	0.024	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.5	179.8	43.5	-113.9	0	0	0	112.3	M464 P465 L467 M477 A478 H479 V494 V524	M464-Y514 HydrophobicContact CE-CD2 3.57Å; M464-Y514 HydrophobicContact CE-CE2 3.37Å; M464-Y514 WeakPolarHBondContact CE-O 3.3Å; M464-Y514 HydrophobicContact CG-CE1 4.45Å; M464-Y514 HydrophobicContact CG-CE2 4.06Å; M464-Y514 HydrophobicContact SD-CD1 4.32Å; M464-Y514 HydrophobicContact SD-CD2 3.54Å; M464-Y514 VanDerWaalsContact SD-CD2 3.54Å; M464-Y514 HydrophobicContact SD-CE1 4.35Å; M464-Y514 HydrophobicContact SD-CE2 3.52Å; M464-Y514 VanDerWaalsContact SD-CE2 3.52Å; M464-Y514 HydrophobicContact SD-CG 3.93Å; M464-Y514 PolarHBondContact SD-N 3.46Å; P465-Y514 PolarHBondContact O-OH 2.84Å; L467-Y514 HydrophobicContact CB-CD2 3.96Å; L467-Y514 HydrophobicContact CB-CE2 3.6Å; L467-Y514 HydrophobicContact CD2-CD2 4Å; L467-Y514 HydrophobicContact CD2-CE2 4.5Å; M477-Y514 HydrophobicContact CB-CD1 4.38Å; M477-Y514 HydrophobicContact CB-CD2 3.79Å; M477-Y514 HydrophobicContact CB-CE1 4.33Å; M477-Y514 HydrophobicContact CB-CE2 3.77Å; M477-Y514 HydrophobicContact CB-CG 4.14Å; M477-Y514 HydrophobicContact CE-CD1 4.06Å; M477-Y514 HydrophobicContact CE-CD2 4.47Å; M477-Y514 HydrophobicContact CE-CG 3.81Å; M477-Y514 PolarHBondContact O-OH 3.01Å; M477-Y514 HydrophobicContact SD-CD2 4.22Å; M477-Y514 HydrophobicContact SD-CG 4.1Å; A478-Y514 WeakPolarHBondContact CA-OH 3.2Å; H479-Y514 AromaticContact CE1-CE1 3.2Å; H479-Y514 WeakPolarHBondContact CE1-CE1 3.4Å; H479-Y514 AromaticContact CE1-CZ 3.55Å; H479-Y514 PolarHBondContact CE1-OH 3.41Å; H479-Y514 AromaticContact ND1-CE1 3.7Å; H479-Y514 AromaticContact ND1-CZ 3.79Å; H479-Y514 PolarHBondContact ND1-OH 2.97Å; H479-Y514 VanDerWaalsContact ND1-OH 3.12Å; H479-Y514 AromaticContact NE2-CE1 3.76Å; V494-Y514 HydrophobicContact CG1-CD1 3.79Å; V494-Y514 HydrophobicContact CG1-CE1 3.73Å; V494-Y514 HydrophobicContact CG2-CD1 4.21Å; V494-Y514 HydrophobicContact CG2-CE1 4.17Å; Y514-V524 CarbonylContact C-O 3.55Å; Y514-V524 VanDerWaalsContact CA-O 3.22Å; Y514-V524 WeakPolarHBondContact CA-O 3.49Å; Y514-V524 WeakPolarHBondContact CB-O 3.47Å
515	A	96.8	Very high	94.9	Very high	6 Å²	6	17.5 Å²	17.5	5%	0.05	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.2	173.2	0	0	0	0	0	111	V524	A515-V524 HydrophobicContact CB-CG2 3.84Å; A515-V524 PolarHBondContact N-O 3.24Å; A515-V524 PolarHBondContact O-N 3.39Å
516	M	96.9	Very high	95.1	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.015	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.8	170.8	-66	178.6	-178.3	0	0	109.2	L467 E469 A472 L475 M477 L523 A567	L467-M516 HydrophobicContact CD2-CB 4.4Å; L467-M516 HydrophobicContact CD2-CG 3.84Å; L467-M516 HydrophobicContact CD2-SD 4.46Å; L467-M516 HydrophobicContact CG-CE 4.19Å; L467-M516 HydrophobicContact CG-CG 4.29Å; L467-M516 HydrophobicContact CG-SD 4.26Å; L467-M516 WeakPolarHBondContact O-CE 3.42Å; E469-M516 HydrophobicContact CB-SD 3.95Å; E469-M516 HydrophobicContact CG-CB 4.43Å; E469-M516 HydrophobicContact CG-SD 3.99Å; A472-M516 HydrophobicContact CB-SD 3.74Å; L475-M516 HydrophobicContact CB-CE 4Å; M477-M516 HydrophobicContact CG-CE 3.86Å; M516-L523 HydrophobicContact CB-CD2 4.42Å; M516-L523 HydrophobicContact CG-CD2 3.83Å; M516-A567 HydrophobicContact CB-CB 3.91Å; M516-A567 VanDerWaalsContact O-CB 3.3Å; M516-A567 WeakPolarHBondContact O-CB 3.14Å
517	L	95.9	Very high	95.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	160	176.8	-62	176.3	0	0	0	109.1	S519 G520 G521 L522 V524 A567 S569 V572 F593	L517-S519 VanDerWaalsContact C-N 3.3Å; L517-S519 PolarHBondContact O-N 3.5Å; L517-G520 PolarHBondContact O-N 2.87Å; L517-G521 PolarHBondContact O-N 3.05Å; L517-L522 WeakPolarHBondContact CA-O 3.43Å; L517-L522 HydrophobicContact CB-CB 4.03Å; L517-L522 HydrophobicContact CB-CD2 4.02Å; L517-L522 HydrophobicContact CB-CG 4.1Å; L517-L522 HydrophobicContact CD1-CD2 3.7Å; L517-L522 HydrophobicContact CD1-CG 4.19Å; L517-L522 PolarHBondContact N-O 3.24Å; L517-L522 PolarHBondContact O-N 3.36Å; L517-L522 VanDerWaalsContact O-O 3.13Å; L517-V524 HydrophobicContact CD1-CG1 3.88Å; L517-V524 HydrophobicContact CD1-CG2 4.06Å; L517-V524 HydrophobicContact CG-CG2 4.42Å; L517-A567 CarbonylContact C-O 3.27Å; L517-S569 WeakPolarHBondContact CB-O 3.38Å; L517-S569 WeakPolarHBondContact CD2-O 3.47Å; L517-V572 HydrophobicContact CD1-CB 4.26Å; L517-V572 HydrophobicContact CD1-CG1 4.28Å; L517-F593 HydrophobicContact CD1-CD2 4.47Å
518	D	95.5	Very high	95	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	46.1	45.9	-179.8	-161.7	40.2	0	0	0	115.3	G520 G521 A567 S569 M570 W641 N642 G643	D518-G520 PolarHBondContact O-N 2.91Å; D518-G521 PolarHBondContact O-N 3.38Å; D518-A567 PolarHBondContact N-O 2.71Å; D518-S569 PolarHBondContact N-O 3.1Å; D518-M570 HydrophobicContact CB-SD 3.69Å; D518-W641 PolarHBondContact OD1-NE1 2.95Å; D518-W641 VanDerWaalsContact OD1-NE1 3.12Å; D518-W641 WeakPolarHBondContact OD2-CA 3.35Å; D518-N642 PolarHBondContact O-ND2 3.29Å; D518-N642 PolarHBondContact OD2-N 2.91Å; D518-G643 PolarHBondContact OD1-N 2.58Å
519	S	94.9	Very high	94.6	Very high	8 Å²	8	19 Å²	19	6%	0.056	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	55.7	34.4	-176.9	-50.8	0	0	0	0	113.9	N471 A472 L517 A567 Y646	N471-S519 WeakPolarHBondContact ND2-CB 3.2Å; N471-S519 PolarHBondContact ND2-OG 3.17Å; A472-S519 WeakPolarHBondContact CA-O 3.37Å; L517-S519 VanDerWaalsContact C-N 3.3Å; L517-S519 PolarHBondContact O-N 3.5Å; S519-A567 PolarHBondContact N-O 2.81Å; S519-Y646 WeakPolarHBondContact OG-CD1 3.48Å
520	G	92.8	Very high	94.2	Very high	5 Å²	5	16.9 Å²	16.9	5%	0.052	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	93.1	-6.5	-178.1	0	0	0	0	0	114.7	L517 D518 L522	L517-G520 PolarHBondContact O-N 2.87Å; D518-G520 PolarHBondContact O-N 2.91Å; G520-L522 PolarHBondContact O-N 2.79Å
521	G	92.6	Very high	94.1	Very high	8 Å²	8	22.5 Å²	22.5	8%	0.082	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.2	174.1	0	0	0	0	0	114	L517 D518 T540	L517-G521 PolarHBondContact O-N 3.05Å; D518-G521 PolarHBondContact O-N 3.38Å; G521-T540 WeakPolarHBondContact O-CA 3.28Å
522	L	95.1	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.8	175	172.3	65.9	0	0	0	110.2	L517 G520 V524 F538 T540 M570 F593	L517-L522 WeakPolarHBondContact CA-O 3.43Å; L517-L522 HydrophobicContact CB-CB 4.03Å; L517-L522 HydrophobicContact CB-CD2 4.02Å; L517-L522 HydrophobicContact CB-CG 4.1Å; L517-L522 HydrophobicContact CD1-CD2 3.7Å; L517-L522 HydrophobicContact CD1-CG 4.19Å; L517-L522 PolarHBondContact N-O 3.24Å; L517-L522 PolarHBondContact O-N 3.36Å; L517-L522 VanDerWaalsContact O-O 3.13Å; G520-L522 PolarHBondContact O-N 2.79Å; L522-V524 HydrophobicContact CD1-CG1 4.31Å; L522-V524 HydrophobicContact CD2-CG1 4.48Å; L522-V524 HydrophobicContact CG-CG1 4.19Å; L522-F538 HydrophobicContact CD1-CB 4.13Å; L522-F538 HydrophobicContact CD1-CD2 4.3Å; L522-T540 HydrophobicContact CD1-CG2 4.12Å; L522-M570 HydrophobicContact CD2-CE 3.97Å; L522-F593 HydrophobicContact CD1-CD1 4.23Å; L522-F593 HydrophobicContact CD2-CB 3.39Å; L522-F593 HydrophobicContact CD2-CD1 3.86Å; L522-F593 HydrophobicContact CD2-CD2 4.07Å; L522-F593 HydrophobicContact CD2-CG 3.52Å
523	L	97.3	Very high	94	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.6	169.6	-54.7	-175.4	0	0	0	109.4	M477 M516 F538 S539 W546	M477-L523 HydrophobicContact CE-CD1 4.47Å; M477-L523 HydrophobicContact SD-CB 4.37Å; M477-L523 HydrophobicContact SD-CD1 4.04Å; M477-L523 HydrophobicContact SD-CD2 4.07Å; M477-L523 HydrophobicContact SD-CG 4.4Å; M516-L523 HydrophobicContact CB-CD2 4.42Å; M516-L523 HydrophobicContact CG-CD2 3.83Å; L523-F538 CarbonylContact O-C 3.6Å; L523-F538 VanDerWaalsContact O-CA 3.23Å; L523-F538 WeakPolarHBondContact O-CA 3.32Å; L523-S539 PolarHBondContact N-O 3.25Å; L523-S539 PolarHBondContact O-N 2.8Å; L523-W546 HydrophobicContact CB-CH2 3.82Å; L523-W546 HydrophobicContact CB-CZ2 4.45Å; L523-W546 HydrophobicContact CB-CZ3 4.47Å
524	V	97.6	Very high	94	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146	175.3	-63.9	0	0	0	0	111.2	Y514 A515 L517 L522 I536 K537 F538 V572 F593	Y514-V524 CarbonylContact C-O 3.55Å; Y514-V524 VanDerWaalsContact CA-O 3.22Å; Y514-V524 WeakPolarHBondContact CA-O 3.49Å; Y514-V524 WeakPolarHBondContact CB-O 3.47Å; A515-V524 HydrophobicContact CB-CG2 3.84Å; A515-V524 PolarHBondContact N-O 3.24Å; A515-V524 PolarHBondContact O-N 3.39Å; L517-V524 HydrophobicContact CD1-CG1 3.88Å; L517-V524 HydrophobicContact CD1-CG2 4.06Å; L517-V524 HydrophobicContact CG-CG2 4.42Å; L522-V524 HydrophobicContact CD1-CG1 4.31Å; L522-V524 HydrophobicContact CD2-CG1 4.48Å; L522-V524 HydrophobicContact CG-CG1 4.19Å; V524-I536 HydrophobicContact CB-CD1 4.22Å; V524-K537 CarbonylContact C-O 3.57Å; V524-K537 WeakPolarHBondContact CA-O 3.11Å; V524-F538 HydrophobicContact CG1-CB 4.14Å; V524-V572 HydrophobicContact CG2-CG1 4.35Å; V524-V572 HydrophobicContact CG2-CG2 4.37Å; V524-F593 HydrophobicContact CG1-CE1 4.45Å; V524-F593 HydrophobicContact CG1-CE2 4.02Å; V524-F593 HydrophobicContact CG1-CZ 3.91Å
525	A	97.9	Very high	94	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.7	-179.6	0	0	0	0	0	113.2	L508 H512 H513 K537 W546	L508-A525 HydrophobicContact CD1-CB 3.4Å; L508-A525 VanDerWaalsContact CD1-CB 3.4Å; H512-A525 HydrophobicContact CB-CB 4.31Å; H513-A525 CarbonylContact O-C 3.6Å; H513-A525 WeakPolarHBondContact O-CA 3.36Å; A525-K537 PolarHBondContact N-O 2.96Å; A525-K537 PolarHBondContact O-N 3.3Å; A525-W546 HydrophobicContact CB-CH2 4.06Å; A525-W546 HydrophobicContact CB-CZ3 3.79Å
526	V	97.2	Very high	94	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	178.7	167.4	0	0	0	0	109.3	H512 H513 I533 I536 F558 L561 I574	H512-V526 CarbonylContact C-O 3.32Å; H512-V526 WeakPolarHBondContact CA-O 3.39Å; H512-V526 VanDerWaalsContact CB-O 3.23Å; H512-V526 WeakPolarHBondContact CB-O 3.5Å; H513-V526 PolarHBondContact N-O 3.22Å; H513-V526 PolarHBondContact O-N 3.21Å; V526-I533 HydrophobicContact CG1-CD1 3.24Å; V526-I536 HydrophobicContact CG2-CB 4.13Å; V526-I536 HydrophobicContact CG2-CD1 3.99Å; V526-I536 HydrophobicContact CG2-CG1 3.79Å; V526-F558 HydrophobicContact CB-CE2 4.31Å; V526-F558 HydrophobicContact CB-CZ 4.35Å; V526-F558 HydrophobicContact CG1-CD1 4.38Å; V526-F558 HydrophobicContact CG1-CD2 3.9Å; V526-F558 HydrophobicContact CG1-CE1 4.28Å; V526-F558 HydrophobicContact CG1-CE2 3.76Å; V526-F558 HydrophobicContact CG1-CG 4.2Å; V526-F558 HydrophobicContact CG1-CZ 3.95Å; V526-L561 HydrophobicContact CB-CD1 4.43Å; V526-L561 HydrophobicContact CB-CD2 4.49Å; V526-L561 HydrophobicContact CG2-CD1 4.33Å; V526-L561 HydrophobicContact CG2-CD2 3.83Å; V526-L561 HydrophobicContact CG2-CG 4.4Å; V526-I574 HydrophobicContact CG2-CD1 4.47Å
527	E	94.5	Very high	94	Very high	69 Å²	69	30.9 Å²	30.9	32%	0.322	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.2	-176	-170.7	177.7	141.5	0	0	111.1	H512 N529 I533 K537	H512-E527 VanDerWaalsContact CD2-CA 3.45Å; H512-E527 WeakPolarHBondContact CD2-CA 3.09Å; H512-E527 PolarHBondContact CD2-N 3.24Å; E527-N529 PolarHBondContact OE1-ND2 2.94Å; E527-I533 WeakPolarHBondContact O-CG2 3.49Å; E527-K537 IonicContact OE2-NZ 2.68Å; E527-K537 PolarHBondContact OE2-NZ 2.61Å
528	D	89.9	Confident	94	Very high	55 Å²	55	30.9 Å²	30.9	29%	0.294	18%	0.176	S	C	.	.			trans	-115.9	88.7	-178.8	-174	1.1	0	0	0	110.2	P511 H513	P511-D528 VanDerWaalsContact CG-O 3.29Å; P511-D528 WeakPolarHBondContact CG-O 3.44Å; P511-D528 PolarHBondContact O-N 3.12Å; H513-D528 IonicContact CD2-OD2 2.66Å; H513-D528 PolarHBondContact CD2-OD2 3.39Å; H513-D528 IonicContact NE2-OD2 2.67Å; H513-D528 PolarHBondContact NE2-OD2 2.92Å
529	N	85	Confident	94	Very high	60 Å²	60	30.9 Å²	30.9	32%	0.321	18%	0.176	S	C	.	.	S	Bend	trans	-116.5	19.5	-176.6	68.6	30.8	0	0	0	112.9	E527 K531	E527-N529 PolarHBondContact OE1-ND2 2.94Å; N529-K531 VanDerWaalsContact OD1-CB 3.24Å; N529-K531 WeakPolarHBondContact OD1-CB 3.3Å; N529-K531 WeakPolarHBondContact OD1-CD 3.3Å; N529-K531 VanDerWaalsContact OD1-CG 3.28Å; N529-K531 WeakPolarHBondContact OD1-CG 3.39Å; N529-K531 PolarHBondContact OD1-N 2.86Å
530	G	83.6	Confident	93.9	Very high	74 Å²	74	31.1 Å²	31.1	76%	0.763	18%	0.177	S	C	*	.	S	Bend	trans	70.1	26	-178.2	0	0	0	0	0	115
531	K	89.9	Confident	93.9	Very high	138 Å²	138	32 Å²	32	60%	0.6	18%	0.18	S	C	*	.	S	Bend	trans	-130.7	156	178.3	-56.8	170.7	-167.4	158.4	0	111.2	N529 I533	N529-K531 VanDerWaalsContact OD1-CB 3.24Å; N529-K531 WeakPolarHBondContact OD1-CB 3.3Å; N529-K531 WeakPolarHBondContact OD1-CD 3.3Å; N529-K531 VanDerWaalsContact OD1-CG 3.28Å; N529-K531 WeakPolarHBondContact OD1-CG 3.39Å; N529-K531 PolarHBondContact OD1-N 2.86Å; K531-I533 PolarHBondContact O-N 3.04Å
532	P	92.8	Very high	93.9	Very high	75 Å²	75	32.5 Å²	32.5	49%	0.487	18%	0.181	S	C	.	.			trans	-56.9	132.6	170.7	-24.1	33.1	0	0	0	112.4	P555 I556	P532-P555 HydrophobicContact CB-CB 3.71Å; P532-I556 CarbonylContact C-O 3.48Å; P532-I556 WeakPolarHBondContact CA-O 3.32Å
533	I	94.9	Very high	93.8	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.092	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-109.1	158.7	-177.3	63.7	165.7	0	0	0	111.7	V526 E527 K531 F551 P555 I556 F558 I574	V526-I533 HydrophobicContact CG1-CD1 3.24Å; E527-I533 WeakPolarHBondContact O-CG2 3.49Å; K531-I533 PolarHBondContact O-N 3.04Å; I533-F551 HydrophobicContact CD1-CE1 4.27Å; I533-F551 HydrophobicContact CD1-CZ 4.09Å; I533-F551 HydrophobicContact CG1-CZ 4.2Å; I533-P555 CarbonylContact O-C 3.55Å; I533-P555 WeakPolarHBondContact O-CA 3.45Å; I533-P555 WeakPolarHBondContact O-CB 3.4Å; I533-I556 HydrophobicContact CG1-CG1 4.17Å; I533-I556 PolarHBondContact N-O 3.31Å; I533-I556 PolarHBondContact O-N 3.47Å; I533-F558 HydrophobicContact CD1-CB 3.52Å; I533-F558 HydrophobicContact CD1-CD2 3.65Å; I533-F558 HydrophobicContact CD1-CG 3.72Å; I533-F558 HydrophobicContact CG1-CB 3.77Å; I533-I574 HydrophobicContact CD1-CG2 4.36Å
534	N	95.6	Very high	93.5	Very high	24 Å²	24	35.5 Å²	35.5	13%	0.128	20%	0.195	C	C	.	.			trans	-142.1	13.5	166	79.7	-30.5	0	0	0	114.5	E550 F551 T552 P555	N534-E550 WeakPolarHBondContact ND2-CG 3.44Å; N534-E550 PolarHBondContact ND2-OE1 3.23Å; N534-E550 CarbonylContact O-C 3.59Å; N534-E550 WeakPolarHBondContact O-CA 3.43Å; N534-F551 VanDerWaalsContact C-CD1 3.5Å; N534-F551 WeakPolarHBondContact O-CD1 3.46Å; N534-F551 PolarHBondContact O-N 2.96Å; N534-T552 HydrophobicContact CB-CG2 3.59Å; N534-T552 WeakPolarHBondContact CB-O 3.3Å; N534-T552 PolarHBondContact ND2-O 2.91Å; N534-P555 HydrophobicContact CB-CB 4.36Å; N534-P555 HydrophobicContact CB-CG 4.22Å
535	K	96.5	Very high	93.2	Very high	80 Å²	80	36.9 Å²	36.9	35%	0.348	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.6	-171	-81.2	150.3	-174.5	146.4	0	112.2	I548 Y549 E550 F551	K535-I548 HydrophobicContact CB-CG2 4.06Å; K535-I548 HydrophobicContact CD-CG2 4.3Å; K535-I548 HydrophobicContact CG-CG2 3.99Å; K535-Y549 CarbonylContact C-O 3.52Å; K535-Y549 VanDerWaalsContact CA-O 3.25Å; K535-Y549 WeakPolarHBondContact CA-O 3.25Å; K535-E550 WeakPolarHBondContact CE-OE1 3.48Å; K535-E550 WeakPolarHBondContact CE-OE2 3.32Å; K535-E550 HydrophobicContact CG-CB 4.07Å; K535-E550 HydrophobicContact CG-CG 4.26Å; K535-E550 IonicContact NZ-OE1 3.88Å; K535-E550 PolarHBondContact NZ-OE1 3.46Å; K535-E550 IonicContact NZ-OE2 2.66Å; K535-E550 PolarHBondContact NZ-OE2 2.91Å; K535-E550 VanDerWaalsContact NZ-OE2 3.13Å; K535-F551 VanDerWaalsContact N-CE1 3.3Å
536	I	96.9	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.9	170.1	-173	163	0	0	0	108.6	V524 V526 Y549 F551 V572 I574 I591	V524-I536 HydrophobicContact CB-CD1 4.22Å; V526-I536 HydrophobicContact CG2-CB 4.13Å; V526-I536 HydrophobicContact CG2-CD1 3.99Å; V526-I536 HydrophobicContact CG2-CG1 3.79Å; I536-Y549 HydrophobicContact CG2-CD1 3.75Å; I536-Y549 HydrophobicContact CG2-CG 4.38Å; I536-Y549 PolarHBondContact N-O 2.91Å; I536-Y549 PolarHBondContact O-N 3.17Å; I536-F551 HydrophobicContact CB-CD1 4.33Å; I536-F551 HydrophobicContact CG2-CD1 4.32Å; I536-V572 HydrophobicContact CD1-CG1 4.3Å; I536-I574 HydrophobicContact CB-CD1 4.09Å; I536-I574 HydrophobicContact CD1-CD1 3.88Å; I536-I574 HydrophobicContact CD1-CG1 4.23Å; I536-I574 HydrophobicContact CG2-CD1 4.49Å; I536-I591 HydrophobicContact CD1-CD1 4.35Å; I536-I591 HydrophobicContact CG2-CD1 3.82Å
537	K	97.1	Very high	92.9	Very high	33 Å²	33	40 Å²	40	14%	0.143	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.2	178.3	-54	177.6	-173.3	168.4	0	107.5	L508 H512 V524 A525 E527 W546 S547 I548	L508-K537 HydrophobicContact CD2-CD 3.92Å; H512-K537 PolarHBondContact NE2-NZ 3.35Å; V524-K537 CarbonylContact C-O 3.57Å; V524-K537 WeakPolarHBondContact CA-O 3.11Å; A525-K537 PolarHBondContact N-O 2.96Å; A525-K537 PolarHBondContact O-N 3.3Å; E527-K537 IonicContact OE2-NZ 2.68Å; E527-K537 PolarHBondContact OE2-NZ 2.61Å; K537-W546 HydrophobicContact CB-CE3 3.83Å; K537-W546 HydrophobicContact CB-CZ3 4.38Å; K537-S547 CarbonylContact C-O 3.57Å; K537-S547 VanDerWaalsContact CA-O 3.29Å; K537-S547 WeakPolarHBondContact CA-O 3.41Å; K537-I548 HydrophobicContact CG-CG1 4.38Å
538	F	96.2	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.8	176.6	70.8	-88.2	0	0	0	112.2	H78 Y81 L85 L522 L523 V524 W546 S547 F593 L596	H78-F538 AromaticContact CD2-CE2 3.38Å; H78-F538 WeakPolarHBondContact CD2-CE2 3.5Å; H78-F538 AromaticContact CD2-CZ 3.79Å; H78-F538 AromaticContact NE2-CE2 3.63Å; Y81-F538 AromaticContact CD2-CE1 3.64Å; Y81-F538 HydrophobicContact CD2-CE1 3.64Å; Y81-F538 AromaticContact CD2-CZ 3.57Å; Y81-F538 HydrophobicContact CD2-CZ 3.57Å; Y81-F538 AromaticContact CE2-CE1 3.79Å; Y81-F538 HydrophobicContact CE2-CE1 3.79Å; Y81-F538 HydrophobicContact CE2-CZ 4Å; Y81-F538 HydrophobicContact CG-CE1 4.45Å; Y81-F538 AromaticContact CG-CZ 3.93Å; Y81-F538 HydrophobicContact CG-CZ 3.93Å; L85-F538 HydrophobicContact CD1-CD1 4.37Å; L85-F538 HydrophobicContact CD1-CE1 3.85Å; L85-F538 HydrophobicContact CD1-CZ 4.26Å; L522-F538 HydrophobicContact CD1-CB 4.13Å; L522-F538 HydrophobicContact CD1-CD2 4.3Å; L523-F538 CarbonylContact O-C 3.6Å; L523-F538 VanDerWaalsContact O-CA 3.23Å; L523-F538 WeakPolarHBondContact O-CA 3.32Å; V524-F538 HydrophobicContact CG1-CB 4.14Å; F538-W546 CarbonylContact O-C 3.57Å; F538-W546 WeakPolarHBondContact O-CA 3.36Å; F538-S547 PolarHBondContact N-O 3.29Å; F538-S547 PolarHBondContact O-N 2.74Å; F538-F593 HydrophobicContact CB-CE1 3.94Å; F538-F593 HydrophobicContact CB-CZ 4.4Å; F538-F593 HydrophobicContact CD1-CE1 4.01Å; F538-F593 HydrophobicContact CD2-CE1 4.37Å; F538-F593 AromaticContact CG-CE1 3.85Å; F538-F593 HydrophobicContact CG-CE1 3.85Å; F538-L596 HydrophobicContact CD2-CD2 3.83Å; F538-L596 HydrophobicContact CE2-CD1 4.26Å; F538-L596 HydrophobicContact CE2-CD2 3.47Å; F538-L596 VanDerWaalsContact CE2-CD2 3.47Å; F538-L596 HydrophobicContact CZ-CD1 4.43Å; F538-L596 HydrophobicContact CZ-CD2 4.22Å
539	S	95.2	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.4	176	155.3	0	0	0	0	109.2	L523 D541 G543 C545	L523-S539 PolarHBondContact N-O 3.25Å; L523-S539 PolarHBondContact O-N 2.8Å; S539-D541 PolarHBondContact OG-N 2.73Å; S539-D541 PolarHBondContact OG-OD1 3.28Å; S539-G543 VanDerWaalsContact OG-CA 3.3Å; S539-G543 WeakPolarHBondContact OG-CA 3.4Å; S539-G543 PolarHBondContact OG-N 2.82Å; S539-C545 WeakPolarHBondContact CB-O 3.21Å
540	T	93.4	Very high	93.8	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.08	22%	0.215	C	C	.	.	S	Bend	trans	-116.3	25.2	172.9	71.7	0	0	0	0	111.2	H78 G521 L522 L596 L597	H78-T540 PolarHBondContact CE1-OG1 3.44Å; G521-T540 WeakPolarHBondContact O-CA 3.28Å; L522-T540 HydrophobicContact CD1-CG2 4.12Å; T540-L596 HydrophobicContact CG2-CD2 4.09Å; T540-L597 HydrophobicContact CG2-CD2 4.28Å
541	D	92.3	Very high	94.3	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.123	18%	0.181	C	C	.	.	S	Bend	trans	-142.5	39.3	-169.7	70.8	-20.4	0	0	0	111.8	S539 G543 Q544 C545 K636	S539-D541 PolarHBondContact OG-N 2.73Å; S539-D541 PolarHBondContact OG-OD1 3.28Å; D541-G543 PolarHBondContact O-N 3.09Å; D541-Q544 WeakPolarHBondContact O-CG 3.46Å; D541-Q544 PolarHBondContact O-N 2.91Å; D541-Q544 PolarHBondContact OD1-N 3.19Å; D541-C545 VanDerWaalsContact CG-N 3.3Å; D541-C545 PolarHBondContact OD1-N 2.93Å; D541-C545 WeakPolarHBondContact OD2-CB 3.44Å; D541-C545 PolarHBondContact OD2-N 2.8Å; D541-C545 PolarHBondContact OD2-SG 3.14Å; D541-C545 VanDerWaalsContact OD2-SG 3.35Å; D541-K636 HydrophobicContact CB-CB 4.35Å; D541-K636 VanDerWaalsContact CB-O 3.23Å; D541-K636 WeakPolarHBondContact CB-O 3.2Å
542	E	93.7	Very high	94.6	Very high	20 Å²	20	31 Å²	31	9%	0.093	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	34.2	179.1	-61.1	-171.5	141.4	0	0	113.3	L475 D498 R633 K636	L475-E542 HydrophobicContact CD1-CG 4.31Å; L475-E542 HydrophobicContact CD2-CB 3.77Å; L475-E542 HydrophobicContact CD2-CG 3.84Å; D498-E542 HydrophobicContact CB-CB 4.36Å; E542-R633 IonicContact OE1-CZ 2.76Å; E542-R633 IonicContact OE1-NE 2.8Å; E542-R633 IonicContact OE1-NH2 3.24Å; E542-R633 PolarHBondContact OE1-NH2 2.85Å; E542-R633 IonicContact OE2-NH2 3.45Å; E542-R633 PolarHBondContact OE2-NH2 2.75Å; E542-K636 HydrophobicContact CB-CG 4.39Å; E542-K636 HydrophobicContact CG-CG 4.3Å; E542-K636 WeakPolarHBondContact OE2-CE 3.19Å; E542-K636 IonicContact OE2-NZ 3.11Å
543	G	92.9	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	11.4	173.4	0	0	0	0	0	115.3	S539 D541 W546	S539-G543 VanDerWaalsContact OG-CA 3.3Å; S539-G543 WeakPolarHBondContact OG-CA 3.4Å; S539-G543 PolarHBondContact OG-N 2.82Å; D541-G543 PolarHBondContact O-N 3.09Å; G543-W546 PolarHBondContact O-NE1 2.82Å
544	Q	90.9	Very high	94.4	Very high	63 Å²	63	39.3 Å²	39.3	29%	0.294	20%	0.195	S	C	.	.	S	Bend	trans	-81.4	-41.1	-177.3	-60	-164.5	8.5	0	0	113.1	D498 I505 D541	D498-Q544 PolarHBondContact OD2-NE2 2.99Å; I505-Q544 HydrophobicContact CD1-CG 3.78Å; D541-Q544 WeakPolarHBondContact O-CG 3.46Å; D541-Q544 PolarHBondContact O-N 2.91Å; D541-Q544 PolarHBondContact OD1-N 3.19Å
545	C	91.8	Very high	94.3	Very high	30 Å²	30	41.5 Å²	41.5	20%	0.203	21%	0.21	C	C	.	.	S	Bend	trans	-125.6	122.5	177.2	-61.4	0	0	0	0	111.5	C75 S539 D541	C75-C545 WeakPolarHBondContact CA-SG 3.23Å; C75-C545 HydrophobicContact CB-CB 3.7Å; C75-C545 WeakPolarHBondContact CB-SG 3.41Å; C75-C545 WeakPolarHBondContact SG-CB 3.47Å; C75-C545 CovalentContact SG-SG 2.04Å; C75-C545 PolarHBondContact SG-SG 2.85Å; S539-C545 WeakPolarHBondContact CB-O 3.21Å; D541-C545 VanDerWaalsContact CG-N 3.3Å; D541-C545 PolarHBondContact OD1-N 2.93Å; D541-C545 WeakPolarHBondContact OD2-CB 3.44Å; D541-C545 PolarHBondContact OD2-N 2.8Å; D541-C545 PolarHBondContact OD2-SG 3.14Å; D541-C545 VanDerWaalsContact OD2-SG 3.35Å
546	W	93.6	Very high	94.1	Very high	50 Å²	50	37.7 Å²	37.7	19%	0.189	19%	0.193	C	C	.	.			trans	-105.8	130.5	-178	-66.7	82.1	0	0	0	112.5	M477 A507 L508 L523 A525 K537 F538 G543	M477-W546 HydrophobicContact CE-CH2 4Å; M477-W546 HydrophobicContact CE-CZ2 4.21Å; A507-W546 HydrophobicContact CB-CZ2 4.27Å; L508-W546 HydrophobicContact CD1-CD2 4.44Å; L508-W546 HydrophobicContact CD1-CE3 4.44Å; L508-W546 HydrophobicContact CD1-CH2 4.17Å; L508-W546 HydrophobicContact CD1-CZ2 4.16Å; L508-W546 HydrophobicContact CD1-CZ3 4.31Å; L508-W546 HydrophobicContact CD2-CB 4.35Å; L508-W546 HydrophobicContact CD2-CD2 3.73Å; L508-W546 HydrophobicContact CD2-CE3 4.21Å; L508-W546 HydrophobicContact CD2-CG 3.77Å; L508-W546 HydrophobicContact CG-CD2 4.25Å; L508-W546 HydrophobicContact CG-CZ2 4.32Å; L523-W546 HydrophobicContact CB-CH2 3.82Å; L523-W546 HydrophobicContact CB-CZ2 4.45Å; L523-W546 HydrophobicContact CB-CZ3 4.47Å; A525-W546 HydrophobicContact CB-CH2 4.06Å; A525-W546 HydrophobicContact CB-CZ3 3.79Å; K537-W546 HydrophobicContact CB-CE3 3.83Å; K537-W546 HydrophobicContact CB-CZ3 4.38Å; F538-W546 CarbonylContact O-C 3.57Å; F538-W546 WeakPolarHBondContact O-CA 3.36Å; G543-W546 PolarHBondContact O-NE1 2.82Å
547	S	93.9	Very high	93.9	Very high	15 Å²	15	39 Å²	39	11%	0.105	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	151.6	168.9	-71.2	0	0	0	0	110.9	H78 K537 F538	H78-S547 PolarHBondContact CD2-OG 2.9Å; H78-S547 VanDerWaalsContact CD2-OG 3.27Å; K537-S547 CarbonylContact C-O 3.57Å; K537-S547 VanDerWaalsContact CA-O 3.29Å; K537-S547 WeakPolarHBondContact CA-O 3.41Å; F538-S547 PolarHBondContact N-O 3.29Å; F538-S547 PolarHBondContact O-N 2.74Å
548	I	95.4	Very high	93.7	Very high	87 Å²	87	38.6 Å²	38.6	45%	0.446	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.5	-174	-52.3	178.3	0	0	0	109.1	Y81 Q82 K535 K537	Y81-I548 PolarHBondContact OH-O 3.4Å; Q82-I548 PolarHBondContact NE2-O 2.91Å; K535-I548 HydrophobicContact CB-CG2 4.06Å; K535-I548 HydrophobicContact CD-CG2 4.3Å; K535-I548 HydrophobicContact CG-CG2 3.99Å; K537-I548 HydrophobicContact CG-CG1 4.38Å
549	Y	95.8	Very high	93.5	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.9	175.8	173	-120.8	0	0	0	110.5	L85 K86 T89 K535 I536 F551 I591	L85-Y549 HydrophobicContact CB-CD1 3.98Å; L85-Y549 HydrophobicContact CB-CD2 3.92Å; L85-Y549 HydrophobicContact CB-CE1 3.83Å; L85-Y549 HydrophobicContact CB-CE2 3.78Å; L85-Y549 HydrophobicContact CB-CG 4.05Å; L85-Y549 HydrophobicContact CD1-CD1 3.94Å; L85-Y549 HydrophobicContact CD1-CD2 4.16Å; L85-Y549 HydrophobicContact CD1-CG 3.71Å; L85-Y549 PolarHBondContact O-OH 2.87Å; K86-Y549 WeakPolarHBondContact CA-OH 3.44Å; K86-Y549 HydrophobicContact CB-CE2 4.47Å; K86-Y549 PolarHBondContact N-OH 2.87Å; T89-Y549 WeakPolarHBondContact OG1-CE1 3.42Å; T89-Y549 PolarHBondContact OG1-OH 3.48Å; K535-Y549 CarbonylContact C-O 3.52Å; K535-Y549 VanDerWaalsContact CA-O 3.25Å; K535-Y549 WeakPolarHBondContact CA-O 3.25Å; I536-Y549 HydrophobicContact CG2-CD1 3.75Å; I536-Y549 HydrophobicContact CG2-CG 4.38Å; I536-Y549 PolarHBondContact N-O 2.91Å; I536-Y549 PolarHBondContact O-N 3.17Å; Y549-F551 HydrophobicContact CD1-CB 4.24Å; Y549-F551 HydrophobicContact CE1-CB 3.75Å; Y549-I591 HydrophobicContact CD1-CD1 4.06Å; Y549-I591 HydrophobicContact CE1-CD1 3.94Å; Y549-I591 HydrophobicContact CE1-CG1 4.38Å; Y549-I591 HydrophobicContact CE1-CG2 4.43Å
550	E	96.6	Very high	93.4	Very high	87 Å²	87	42.3 Å²	42.3	41%	0.407	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	95	-176.6	-175.7	153.5	-158.6	0	0	108.9	N534 K535 T552	N534-E550 WeakPolarHBondContact ND2-CG 3.44Å; N534-E550 PolarHBondContact ND2-OE1 3.23Å; N534-E550 CarbonylContact O-C 3.59Å; N534-E550 WeakPolarHBondContact O-CA 3.43Å; K535-E550 WeakPolarHBondContact CE-OE1 3.48Å; K535-E550 WeakPolarHBondContact CE-OE2 3.32Å; K535-E550 HydrophobicContact CG-CB 4.07Å; K535-E550 HydrophobicContact CG-CG 4.26Å; K535-E550 IonicContact NZ-OE1 3.88Å; K535-E550 PolarHBondContact NZ-OE1 3.46Å; K535-E550 IonicContact NZ-OE2 2.66Å; K535-E550 PolarHBondContact NZ-OE2 2.91Å; K535-E550 VanDerWaalsContact NZ-OE2 3.13Å; E550-T552 PolarHBondContact O-N 2.65Å
551	F	95.4	Very high	93.4	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.044	23%	0.231	C	C	.	.			trans	-80.6	-13.1	-167.1	67.3	-99.2	0	0	0	114.1	T89 I533 N534 K535 I536 Y549 I556 I574 F589 I591	T89-F551 HydrophobicContact CG2-CB 4.41Å; I533-F551 HydrophobicContact CD1-CE1 4.27Å; I533-F551 HydrophobicContact CD1-CZ 4.09Å; I533-F551 HydrophobicContact CG1-CZ 4.2Å; N534-F551 VanDerWaalsContact C-CD1 3.5Å; N534-F551 WeakPolarHBondContact O-CD1 3.46Å; N534-F551 PolarHBondContact O-N 2.96Å; K535-F551 VanDerWaalsContact N-CE1 3.3Å; I536-F551 HydrophobicContact CB-CD1 4.33Å; I536-F551 HydrophobicContact CG2-CD1 4.32Å; Y549-F551 HydrophobicContact CD1-CB 4.24Å; Y549-F551 HydrophobicContact CE1-CB 3.75Å; F551-I556 HydrophobicContact CE2-CD1 4.06Å; F551-I556 HydrophobicContact CE2-CG1 4.46Å; F551-I556 HydrophobicContact CZ-CD1 4.21Å; F551-I556 HydrophobicContact CZ-CG1 4.38Å; F551-I574 HydrophobicContact CD1-CD1 3.45Å; F551-I574 VanDerWaalsContact CD1-CD1 3.45Å; F551-I574 HydrophobicContact CD2-CD1 4.13Å; F551-I574 HydrophobicContact CE1-CD1 3.47Å; F551-I574 VanDerWaalsContact CE1-CD1 3.47Å; F551-I574 HydrophobicContact CE1-CG2 4.4Å; F551-I574 HydrophobicContact CE2-CD1 4.16Å; F551-I574 HydrophobicContact CE2-CG2 4.41Å; F551-I574 HydrophobicContact CG-CD1 3.81Å; F551-I574 HydrophobicContact CZ-CD1 3.85Å; F551-I574 HydrophobicContact CZ-CG2 3.94Å; F551-F589 HydrophobicContact CD2-CB 3.82Å; F551-F589 AromaticContact CD2-CD1 3.79Å; F551-F589 HydrophobicContact CD2-CD1 3.79Å; F551-F589 HydrophobicContact CD2-CD2 4.05Å; F551-F589 HydrophobicContact CD2-CE1 4.34Å; F551-F589 AromaticContact CD2-CG 3.63Å; F551-F589 HydrophobicContact CD2-CG 3.63Å; F551-F589 HydrophobicContact CE2-CB 4.15Å; F551-F589 HydrophobicContact CE2-CD1 4.36Å; F551-F589 AromaticContact CE2-CD2 3.79Å; F551-F589 HydrophobicContact CE2-CD2 3.79Å; F551-F589 HydrophobicContact CE2-CE2 4.24Å; F551-F589 AromaticContact CE2-CG 3.86Å; F551-F589 HydrophobicContact CE2-CG 3.86Å; F551-I591 HydrophobicContact CB-CD1 3.96Å
552	T	94.9	Very high	93.5	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.104	23%	0.232	C	C	.	.			trans	-151.1	149.1	178.2	177.7	0	0	0	0	111.5	N534 E550 E554 F589	N534-T552 HydrophobicContact CB-CG2 3.59Å; N534-T552 WeakPolarHBondContact CB-O 3.3Å; N534-T552 PolarHBondContact ND2-O 2.91Å; E550-T552 PolarHBondContact O-N 2.65Å; T552-E554 WeakPolarHBondContact CG2-O 3.31Å; T552-E554 PolarHBondContact OG1-N 2.62Å; T552-E554 PolarHBondContact OG1-O 2.97Å; T552-F589 HydrophobicContact CG2-CZ 4.28Å
553	N	92.7	Very high	93.5	Very high	155 Å²	155	43.7 Å²	43.7	83%	0.829	24%	0.238	S	C	*	.	S	Bend	trans	-82.2	-20.9	169.5	-60.6	-46.4	0	0	0	112.2
554	E	91.7	Very high	93.6	Very high	113 Å²	113	43.8 Å²	43.8	53%	0.528	24%	0.238	S	C	.	.	S	Bend	trans	-108	109.1	-179.9	-68.1	178	172.8	0	0	108.5	T552 K578	T552-E554 WeakPolarHBondContact CG2-O 3.31Å; T552-E554 PolarHBondContact OG1-N 2.62Å; T552-E554 PolarHBondContact OG1-O 2.97Å; E554-K578 IonicContact OE2-NZ 3.02Å; E554-K578 PolarHBondContact OE2-NZ 3.35Å
555	P	92.9	Very high	93.7	Very high	70 Å²	70	44.9 Å²	44.9	46%	0.455	25%	0.251	S	S	.	.			trans	-60.6	147.5	179	-24.8	34.8	0	0	0	113.1	P532 I533 N534	P532-P555 HydrophobicContact CB-CB 3.71Å; I533-P555 CarbonylContact O-C 3.55Å; I533-P555 WeakPolarHBondContact O-CA 3.45Å; I533-P555 WeakPolarHBondContact O-CB 3.4Å; N534-P555 HydrophobicContact CB-CB 4.36Å; N534-P555 HydrophobicContact CB-CG 4.22Å
556	I	93	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-118.6	145.7	178.8	66.8	176	0	0	0	110.2	P532 I533 F551 F558 I574 K578 V587 F589	P532-I556 CarbonylContact C-O 3.48Å; P532-I556 WeakPolarHBondContact CA-O 3.32Å; I533-I556 HydrophobicContact CG1-CG1 4.17Å; I533-I556 PolarHBondContact N-O 3.31Å; I533-I556 PolarHBondContact O-N 3.47Å; F551-I556 HydrophobicContact CE2-CD1 4.06Å; F551-I556 HydrophobicContact CE2-CG1 4.46Å; F551-I556 HydrophobicContact CZ-CD1 4.21Å; F551-I556 HydrophobicContact CZ-CG1 4.38Å; I556-F558 PolarHBondContact O-N 2.9Å; I556-I574 HydrophobicContact CD1-CG2 4.35Å; I556-K578 HydrophobicContact CG2-CG 4.15Å; I556-V587 HydrophobicContact CB-CG1 4.37Å; I556-V587 HydrophobicContact CD1-CG1 4.34Å; I556-V587 HydrophobicContact CG2-CG1 3.77Å; I556-F589 HydrophobicContact CD1-CD2 4Å; I556-F589 HydrophobicContact CD1-CE2 4.11Å; I556-F589 HydrophobicContact CG2-CE2 3.93Å
557	T	93	Very high	93.7	Very high	29 Å²	29	42.5 Å²	42.5	18%	0.178	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	111.5	167.1	-65.5	0	0	0	0	107.3	G576 Y577 D579	T557-G576 CarbonylContact O-C 3.6Å; T557-G576 WeakPolarHBondContact O-CA 3.4Å; T557-Y577 HydrophobicContact CG2-CE1 4Å; T557-Y577 HydrophobicContact CG2-CE2 3.8Å; T557-Y577 VanDerWaalsContact CG2-CZ 3.44Å; T557-Y577 WeakPolarHBondContact CG2-OH 3.38Å; T557-Y577 PolarHBondContact N-O 2.62Å; T557-Y577 PolarHBondContact O-N 3.06Å; T557-D579 WeakPolarHBondContact CB-OD2 3.24Å; T557-D579 PolarHBondContact OG1-OD2 3.26Å
558	F	93.2	Very high	93.7	Very high	23 Å²	23	44.6 Å²	44.6	10%	0.101	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	149.9	-169.8	166.5	-89.9	0	0	0	112	H513 V526 I533 I556 G560 L561 I574 W575	H513-F558 HydrophobicContact CB-CE1 4.27Å; H513-F558 HydrophobicContact CB-CZ 4Å; H513-F558 AromaticContact CD2-CE1 3.46Å; H513-F558 VanDerWaalsContact CD2-CE1 3.46Å; H513-F558 WeakPolarHBondContact CD2-CE1 3.46Å; H513-F558 AromaticContact CE1-CE1 3.8Å; H513-F558 AromaticContact CG-CE1 3.62Å; H513-F558 AromaticContact CG-CZ 3.76Å; H513-F558 AromaticContact ND1-CE1 3.83Å; H513-F558 AromaticContact ND1-CZ 3.95Å; H513-F558 AromaticContact NE2-CE1 3.56Å; V526-F558 HydrophobicContact CB-CE2 4.31Å; V526-F558 HydrophobicContact CB-CZ 4.35Å; V526-F558 HydrophobicContact CG1-CD1 4.38Å; V526-F558 HydrophobicContact CG1-CD2 3.9Å; V526-F558 HydrophobicContact CG1-CE1 4.28Å; V526-F558 HydrophobicContact CG1-CE2 3.76Å; V526-F558 HydrophobicContact CG1-CG 4.2Å; V526-F558 HydrophobicContact CG1-CZ 3.95Å; I533-F558 HydrophobicContact CD1-CB 3.52Å; I533-F558 HydrophobicContact CD1-CD2 3.65Å; I533-F558 HydrophobicContact CD1-CG 3.72Å; I533-F558 HydrophobicContact CG1-CB 3.77Å; I556-F558 PolarHBondContact O-N 2.9Å; F558-G560 WeakPolarHBondContact CE2-O 3.49Å; F558-L561 HydrophobicContact CE2-CD2 4.21Å; F558-L561 HydrophobicContact CE2-CG 4.19Å; F558-L561 HydrophobicContact CZ-CG 4.1Å; F558-I574 HydrophobicContact CD2-CG2 3.66Å; F558-I574 HydrophobicContact CE2-CG2 3.84Å; F558-W575 WeakPolarHBondContact CD2-O 3.44Å
559	T	91.4	Very high	93.6	Very high	63 Å²	63	40.8 Å²	40.8	39%	0.387	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	-20	-178.8	58.7	0	0	0	0	114.3	W575 Y577 W586	T559-W575 PolarHBondContact N-O 2.83Å; T559-W575 PolarHBondContact OG1-O 3.04Å; T559-Y577 HydrophobicContact CG2-CD1 3.95Å; T559-Y577 HydrophobicContact CG2-CE1 3.88Å; T559-W586 HydrophobicContact CG2-CH2 3.96Å; T559-W586 HydrophobicContact CG2-CZ3 3.82Å; T559-W586 WeakPolarHBondContact OG1-CZ3 3.48Å
560	G	92.5	Very high	93.5	Very high	15 Å²	15	41 Å²	41	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	161.6	179.1	0	0	0	0	0	115.1	F558 W575	F558-G560 WeakPolarHBondContact CE2-O 3.49Å; G560-W575 PolarHBondContact N-O 2.83Å; G560-W575 PolarHBondContact O-N 2.77Å
561	L	94.4	Very high	93.5	Very high	38 Å²	38	37.5 Å²	37.5	20%	0.199	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.6	167.6	-71.9	176	0	0	0	109.9	H513 V526 F558 V572 I574	H513-L561 HydrophobicContact CB-CD1 3.95Å; H513-L561 HydrophobicContact CB-CG 4.23Å; V526-L561 HydrophobicContact CB-CD1 4.43Å; V526-L561 HydrophobicContact CB-CD2 4.49Å; V526-L561 HydrophobicContact CG2-CD1 4.33Å; V526-L561 HydrophobicContact CG2-CD2 3.83Å; V526-L561 HydrophobicContact CG2-CG 4.4Å; F558-L561 HydrophobicContact CE2-CD2 4.21Å; F558-L561 HydrophobicContact CE2-CG 4.19Å; F558-L561 HydrophobicContact CZ-CG 4.1Å; L561-V572 HydrophobicContact CD2-CG2 3.99Å; L561-I574 HydrophobicContact CD2-CB 4.43Å; L561-I574 HydrophobicContact CD2-CG1 3.94Å
562	A	94.2	Very high	93.6	Very high	16 Å²	16	37.1 Å²	37.1	13%	0.132	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.3	168.6	0	0	0	0	0	110.6	L103 S573	L103-A562 HydrophobicContact CD1-CB 4.32Å; A562-S573 PolarHBondContact N-O 3.23Å; A562-S573 PolarHBondContact O-N 2.87Å
563	S	94.4	Very high	93.7	Very high	32 Å²	32	36.3 Å²	36.3	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.7	172.7	53.9	0	0	0	0	109.5	W105	W105-S563 VanDerWaalsContact CE2-O 3.31Å; W105-S563 WeakPolarHBondContact CZ2-O 3.44Å; W105-S563 PolarHBondContact NE1-O 2.86Å
564	E	93.9	Very high	93.9	Very high	2 Å²	2	29 Å²	29	1%	0.009	17%	0.173	C	C	.	.			trans	-62	132.3	173.7	-175.1	171.9	-119	0	0	110	W105 G109 Y139 R644	W105-E564 HydrophobicContact CE3-CB 4.48Å; W105-E564 HydrophobicContact CH2-CB 4.2Å; W105-E564 HydrophobicContact CZ2-CB 4.43Å; W105-E564 HydrophobicContact CZ3-CB 4.22Å; G109-E564 VanDerWaalsContact CA-OE1 3.24Å; G109-E564 WeakPolarHBondContact CA-OE1 3.48Å; G109-E564 PolarHBondContact N-OE1 3.43Å; Y139-E564 HydrophobicContact CE1-CB 4.43Å; Y139-E564 WeakPolarHBondContact CE1-OE1 3.36Å; E564-R644 IonicContact OE1-NH1 3.95Å; E564-R644 IonicContact OE2-CZ 3.9Å; E564-R644 IonicContact OE2-NH1 2.81Å; E564-R644 PolarHBondContact OE2-NH1 3.2Å
565	P	92.9	Very high	94	Very high	85 Å²	85	24 Å²	24	55%	0.552	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	145.5	177.6	-26.9	35.7	0	0	0	113.4	W105	W105-P565 HydrophobicContact CG-CG 4.36Å
566	G	91.4	Very high	94	Very high	29 Å²	29	20.7 Å²	20.7	30%	0.299	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	17.5	-178.3	0	0	0	0	0	114.5	N471 R568	N471-G566 PolarHBondContact ND2-O 2.85Å; G566-R568 PolarHBondContact O-N 2.86Å
567	A	94.4	Very high	93.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.008	14%	0.138	C	C	.	.	S	Bend	trans	53	25.9	167.5	0	0	0	0	0	117.1	E469 M516 L517 D518 S519	E469-A567 HydrophobicContact CB-CB 4.21Å; E469-A567 HydrophobicContact CG-CB 3.75Å; E469-A567 PolarHBondContact OE1-N 3.34Å; M516-A567 HydrophobicContact CB-CB 3.91Å; M516-A567 VanDerWaalsContact O-CB 3.3Å; M516-A567 WeakPolarHBondContact O-CB 3.14Å; L517-A567 CarbonylContact C-O 3.27Å; D518-A567 PolarHBondContact N-O 2.71Å; S519-A567 PolarHBondContact N-O 2.81Å
568	R	94.1	Very high	93.4	Very high	60 Å²	60	24.8 Å²	24.8	23%	0.226	14%	0.142	C	C	.	.			trans	-92.7	-15.8	-177.8	-77.9	172.1	-175.6	-79.8	-12.7	115.4	G566 R644 Y646	G566-R568 PolarHBondContact O-N 2.86Å; R568-R644 HydrophobicContact CB-CG 4.27Å; R568-R644 PolarHBondContact NH1-O 3.01Å; R568-Y646 PolarHBondContact NH1-O 2.84Å; R568-Y646 PolarHBondContact NH2-O 2.88Å; R568-Y646 VanDerWaalsContact NH2-O 3.1Å
569	S	93.6	Very high	92.4	Very high	7 Å²	7	28.3 Å²	28.3	5%	0.049	16%	0.162	C	C	.	.			trans	-82.3	162.4	-177.8	-163.2	0	0	0	0	112.7	Y139 L517 D518 N571	Y139-S569 WeakPolarHBondContact CD1-OG 3.43Å; Y139-S569 WeakPolarHBondContact CE1-OG 3.08Å; L517-S569 WeakPolarHBondContact CB-O 3.38Å; L517-S569 WeakPolarHBondContact CD2-O 3.47Å; D518-S569 PolarHBondContact N-O 3.1Å; S569-N571 PolarHBondContact OG-N 3.4Å; S569-N571 PolarHBondContact OG-ND2 3.29Å
570	M	93.9	Very high	91.2	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.049	17%	0.168	C	C	.	.	S	Bend	trans	-98.8	-0.5	168.4	-69.7	-59.2	-64.8	0	0	112.7	D518 L522 F593 R594 L597	D518-M570 HydrophobicContact CB-SD 3.69Å; L522-M570 HydrophobicContact CD2-CE 3.97Å; M570-F593 VanDerWaalsContact CE-C 3.41Å; M570-F593 HydrophobicContact CE-CB 3.59Å; M570-F593 WeakPolarHBondContact CE-O 3.41Å; M570-F593 PolarHBondContact O-N 2.85Å; M570-R594 HydrophobicContact CB-CB 4.32Å; M570-R594 HydrophobicContact CG-CB 4.43Å; M570-L597 HydrophobicContact CE-CD1 3.37Å; M570-L597 HydrophobicContact CE-CG 3.82Å; M570-L597 HydrophobicContact SD-CD1 3.93Å
571	N	95.7	Very high	89.6	Confident	13 Å²	13	36.7 Å²	36.7	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.4	-175.4	-60.1	-84.1	0	0	0	111.1	Y139 K141 S569 T590 I591 D592	Y139-N571 HydrophobicContact CD1-CB 4.25Å; Y139-N571 HydrophobicContact CG-CB 4.05Å; K141-N571 WeakPolarHBondContact CE-OD1 3.34Å; K141-N571 PolarHBondContact NZ-OD1 3.2Å; S569-N571 PolarHBondContact OG-N 3.4Å; S569-N571 PolarHBondContact OG-ND2 3.29Å; N571-T590 HydrophobicContact CB-CG2 4.48Å; N571-I591 WeakPolarHBondContact CA-O 3.46Å; N571-D592 WeakPolarHBondContact OD1-CB 3.4Å; N571-D592 PolarHBondContact OD1-OD2 3.26Å
572	V	96.9	Very high	88	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.3	169.1	61.6	0	0	0	0	110.4	L517 V524 I536 L561 T590 I591 F593	L517-V572 HydrophobicContact CD1-CB 4.26Å; L517-V572 HydrophobicContact CD1-CG1 4.28Å; V524-V572 HydrophobicContact CG2-CG1 4.35Å; V524-V572 HydrophobicContact CG2-CG2 4.37Å; I536-V572 HydrophobicContact CD1-CG1 4.3Å; L561-V572 HydrophobicContact CD2-CG2 3.99Å; V572-T590 WeakPolarHBondContact O-CA 3.33Å; V572-I591 PolarHBondContact N-O 3.01Å; V572-I591 VanDerWaalsContact N-O 3.17Å; V572-I591 PolarHBondContact O-N 2.63Å; V572-F593 HydrophobicContact CG1-CD2 4.34Å; V572-F593 HydrophobicContact CG1-CE2 3.76Å
573	S	96.9	Very high	86.6	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	175.6	-53.8	0	0	0	0	110.5	Y139 A562 T590	Y139-S573 PolarHBondContact O-OG 3.23Å; A562-S573 PolarHBondContact N-O 3.23Å; A562-S573 PolarHBondContact O-N 2.87Å; S573-T590 WeakPolarHBondContact CB-OG1 3.26Å; S573-T590 PolarHBondContact OG-OG1 2.98Å
574	I	96.7	Very high	85.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.2	170.1	-50.4	175.1	0	0	0	107.6	V526 I533 I536 F551 I556 F558 L561 S588 F589 I591	V526-I574 HydrophobicContact CG2-CD1 4.47Å; I533-I574 HydrophobicContact CD1-CG2 4.36Å; I536-I574 HydrophobicContact CB-CD1 4.09Å; I536-I574 HydrophobicContact CD1-CD1 3.88Å; I536-I574 HydrophobicContact CD1-CG1 4.23Å; I536-I574 HydrophobicContact CG2-CD1 4.49Å; F551-I574 HydrophobicContact CD1-CD1 3.45Å; F551-I574 VanDerWaalsContact CD1-CD1 3.45Å; F551-I574 HydrophobicContact CD2-CD1 4.13Å; F551-I574 HydrophobicContact CE1-CD1 3.47Å; F551-I574 VanDerWaalsContact CE1-CD1 3.47Å; F551-I574 HydrophobicContact CE1-CG2 4.4Å; F551-I574 HydrophobicContact CE2-CD1 4.16Å; F551-I574 HydrophobicContact CE2-CG2 4.41Å; F551-I574 HydrophobicContact CG-CD1 3.81Å; F551-I574 HydrophobicContact CZ-CD1 3.85Å; F551-I574 HydrophobicContact CZ-CG2 3.94Å; I556-I574 HydrophobicContact CD1-CG2 4.35Å; F558-I574 HydrophobicContact CD2-CG2 3.66Å; F558-I574 HydrophobicContact CE2-CG2 3.84Å; L561-I574 HydrophobicContact CD2-CB 4.43Å; L561-I574 HydrophobicContact CD2-CG1 3.94Å; I574-S588 CarbonylContact O-C 3.57Å; I574-S588 WeakPolarHBondContact O-CA 3.49Å; I574-F589 HydrophobicContact CB-CB 4.35Å; I574-F589 PolarHBondContact N-O 2.94Å; I574-F589 PolarHBondContact O-N 2.88Å; I574-I591 HydrophobicContact CD1-CD1 3.81Å
575	W	94.4	Very high	84.9	Confident	9 Å²	9	49.6 Å²	49.6	3%	0.034	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146	179.4	-70.4	82.3	0	0	0	112.1	L94 V101 L103 A115 F143 F558 T559 G560	L94-W575 HydrophobicContact CD1-CH2 4.25Å; L94-W575 HydrophobicContact CD1-CZ3 3.76Å; L94-W575 HydrophobicContact CD2-CZ3 4.29Å; V101-W575 HydrophobicContact CG1-CZ3 4.42Å; L103-W575 HydrophobicContact CD1-CD2 3.97Å; L103-W575 HydrophobicContact CD1-CG 4.26Å; L103-W575 HydrophobicContact CD1-CZ2 3.93Å; L103-W575 HydrophobicContact CD2-CH2 3.68Å; L103-W575 HydrophobicContact CD2-CZ2 3.63Å; L103-W575 HydrophobicContact CD2-CZ3 4.22Å; L103-W575 HydrophobicContact CG-CZ2 4.46Å; A115-W575 HydrophobicContact CB-CH2 4.31Å; F143-W575 HydrophobicContact CE2-CH2 4.17Å; F143-W575 HydrophobicContact CE2-CZ2 4.18Å; F143-W575 AromaticContact CZ-CH2 3.93Å; F143-W575 HydrophobicContact CZ-CH2 3.93Å; F143-W575 AromaticContact CZ-CZ2 3.83Å; F143-W575 HydrophobicContact CZ-CZ2 3.83Å; F558-W575 WeakPolarHBondContact CD2-O 3.44Å; T559-W575 PolarHBondContact N-O 2.83Å; T559-W575 PolarHBondContact OG1-O 3.04Å; G560-W575 PolarHBondContact N-O 2.83Å; G560-W575 PolarHBondContact O-N 2.77Å
576	G	92.3	Very high	84.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-164.9	173.8	0	0	0	0	0	111.9	T557 V587	T557-G576 CarbonylContact O-C 3.6Å; T557-G576 WeakPolarHBondContact O-CA 3.4Å; G576-V587 PolarHBondContact N-O 2.89Å; G576-V587 VanDerWaalsContact N-O 3.12Å; G576-V587 PolarHBondContact O-N 2.87Å; G576-V587 VanDerWaalsContact O-O 3.1Å
577	Y	89.3	Confident	84.8	Confident	57 Å²	57	45.6 Å²	45.6	22%	0.224	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.7	174	53.3	-91.3	0	0	0	112	T557 T559 D579 Q584 N585	T557-Y577 HydrophobicContact CG2-CE1 4Å; T557-Y577 HydrophobicContact CG2-CE2 3.8Å; T557-Y577 VanDerWaalsContact CG2-CZ 3.44Å; T557-Y577 WeakPolarHBondContact CG2-OH 3.38Å; T557-Y577 PolarHBondContact N-O 2.62Å; T557-Y577 PolarHBondContact O-N 3.06Å; T559-Y577 HydrophobicContact CG2-CD1 3.95Å; T559-Y577 HydrophobicContact CG2-CE1 3.88Å; Y577-D579 WeakPolarHBondContact CE2-OD1 2.99Å; Y577-Q584 HydrophobicContact CD2-CG 4.35Å; Y577-N585 WeakPolarHBondContact CA-O 2.94Å
578	K	85.5	Confident	84.8	Confident	58 Å²	58	45.5 Å²	45.5	25%	0.252	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.5	169.7	-66.8	-167.9	177.5	-171.7	0	109.8	E554 I556 S580 N585 V587	E554-K578 IonicContact OE2-NZ 3.02Å; E554-K578 PolarHBondContact OE2-NZ 3.35Å; I556-K578 HydrophobicContact CG2-CG 4.15Å; K578-S580 PolarHBondContact O-N 3.23Å; K578-N585 PolarHBondContact N-O 2.85Å; K578-V587 HydrophobicContact CG-CG1 4.06Å
579	D	70.8	Confident	85	Confident	97 Å²	97	43.2 Å²	43.2	52%	0.519	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	106.6	172.3	-76.2	-59	0	0	0	110.8	T557 Y577	T557-D579 WeakPolarHBondContact CB-OD2 3.24Å; T557-D579 PolarHBondContact OG1-OD2 3.26Å; Y577-D579 WeakPolarHBondContact CE2-OD1 2.99Å
580	S	66.6	Low	85.2	Confident	74 Å²	74	42.9 Å²	42.9	52%	0.517	22%	0.221	S	C	.	.			trans	-120.8	151.6	171.3	177.2	0	0	0	0	109.9	K578 I582 T583	K578-S580 PolarHBondContact O-N 3.23Å; S580-I582 PolarHBondContact O-N 2.99Å; S580-T583 WeakPolarHBondContact CB-O 3.44Å
581	L	58.6	Low	85.4	Confident	180 Å²	180	42.4 Å²	42.4	94%	0.942	22%	0.219	S	C	*	.	S	Bend	trans	-64.5	-3.1	-174.2	-65	170	0	0	0	114.9
582	I	60.5	Low	85.3	Confident	157 Å²	157	42.7 Å²	42.7	81%	0.805	22%	0.22	S	C	*	.	S	Bend	trans	-138.2	-32.4	-169.8	-51.3	-179.1	0	0	0	112.5	S580	S580-I582 PolarHBondContact O-N 2.99Å
583	T	64.9	Low	85.2	Confident	54 Å²	54	42.6 Å²	42.6	33%	0.331	22%	0.22	S	C	.	.			trans	-144.1	144.9	-179.8	59	0	0	0	0	111.4	L97 S580 N585	L97-T583 HydrophobicContact CD2-CG2 4.29Å; S580-T583 WeakPolarHBondContact CB-O 3.44Å; T583-N585 VanDerWaalsContact CB-OD1 3.27Å; T583-N585 WeakPolarHBondContact CB-OD1 3.47Å; T583-N585 PolarHBondContact OG1-OD1 2.92Å
584	Q	71.6	Confident	84.8	Confident	108 Å²	108	49.4 Å²	49.4	51%	0.505	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	105.4	166.5	-71.4	179.2	-52.3	0	0	108.1	Y577	Y577-Q584 HydrophobicContact CD2-CG 4.35Å
585	N	82.6	Confident	84.4	Confident	41 Å²	41	54.3 Å²	54.3	22%	0.219	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.3	178.7	-65.9	31.1	0	0	0	109.1	T93 Y577 K578 T583	T93-N585 HydrophobicContact CG2-CB 4.04Å; Y577-N585 WeakPolarHBondContact CA-O 2.94Å; K578-N585 PolarHBondContact N-O 2.85Å; T583-N585 VanDerWaalsContact CB-OD1 3.27Å; T583-N585 WeakPolarHBondContact CB-OD1 3.47Å; T583-N585 PolarHBondContact OG1-OD1 2.92Å
586	W	89.4	Confident	84	Confident	29 Å²	29	54.5 Å²	54.5	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.6	172.7	-73.8	96.9	0	0	0	111.2	T93 L94 S98 V101 T559	T93-W586 CarbonylContact C-O 3.49Å; T93-W586 WeakPolarHBondContact CA-O 3.48Å; L94-W586 HydrophobicContact CB-CB 4.1Å; L94-W586 HydrophobicContact CD1-CB 4.35Å; L94-W586 PolarHBondContact N-O 2.85Å; S98-W586 PolarHBondContact O-NE1 3.29Å; V101-W586 HydrophobicContact CG2-CD2 3.53Å; V101-W586 HydrophobicContact CG2-CE3 3.9Å; V101-W586 HydrophobicContact CG2-CG 3.85Å; V101-W586 HydrophobicContact CG2-CH2 4.37Å; V101-W586 HydrophobicContact CG2-CZ2 4.06Å; V101-W586 HydrophobicContact CG2-CZ3 4.29Å; T559-W586 HydrophobicContact CG2-CH2 3.96Å; T559-W586 HydrophobicContact CG2-CZ3 3.82Å; T559-W586 WeakPolarHBondContact OG1-CZ3 3.48Å
587	V	92.6	Very high	83.7	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137	-179.2	63.9	0	0	0	0	110.3	Y92 I556 G576 K578 F589	Y92-V587 CarbonylContact O-C 3.57Å; Y92-V587 WeakPolarHBondContact O-CA 3.36Å; Y92-V587 WeakPolarHBondContact O-CG2 2.77Å; I556-V587 HydrophobicContact CB-CG1 4.37Å; I556-V587 HydrophobicContact CD1-CG1 4.34Å; I556-V587 HydrophobicContact CG2-CG1 3.77Å; G576-V587 PolarHBondContact N-O 2.89Å; G576-V587 VanDerWaalsContact N-O 3.12Å; G576-V587 PolarHBondContact O-N 2.87Å; G576-V587 VanDerWaalsContact O-O 3.1Å; K578-V587 HydrophobicContact CG-CG1 4.06Å; V587-F589 HydrophobicContact CB-CE2 4.37Å; V587-F589 HydrophobicContact CG1-CE2 3.97Å; V587-F589 HydrophobicContact CG2-CD2 4.04Å; V587-F589 HydrophobicContact CG2-CE2 3.47Å; V587-F589 VanDerWaalsContact CG2-CE2 3.47Å; V587-F589 HydrophobicContact CG2-CZ 4.05Å
588	S	94.8	Very high	83.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.7	170.6	58	0	0	0	0	110.3	S91 Y92 I574	S91-S588 CarbonylContact C-O 3.39Å; S91-S588 WeakPolarHBondContact CA-O 3.27Å; Y92-S588 PolarHBondContact N-O 3.37Å; Y92-S588 PolarHBondContact O-N 3.22Å; I574-S588 CarbonylContact O-C 3.57Å; I574-S588 WeakPolarHBondContact O-CA 3.49Å
589	F	97	Very high	83.5	Confident	11 Å²	11	59.2 Å²	59.2	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	103.2	171.2	-70.4	-97.5	0	0	0	108.6	T89 H90 F551 T552 I556 I574 V587	T89-F589 HydrophobicContact CG2-CD1 4.31Å; H90-F589 CarbonylContact O-C 3.59Å; H90-F589 WeakPolarHBondContact O-CA 3.43Å; F551-F589 HydrophobicContact CD2-CB 3.82Å; F551-F589 AromaticContact CD2-CD1 3.79Å; F551-F589 HydrophobicContact CD2-CD1 3.79Å; F551-F589 HydrophobicContact CD2-CD2 4.05Å; F551-F589 HydrophobicContact CD2-CE1 4.34Å; F551-F589 AromaticContact CD2-CG 3.63Å; F551-F589 HydrophobicContact CD2-CG 3.63Å; F551-F589 HydrophobicContact CE2-CB 4.15Å; F551-F589 HydrophobicContact CE2-CD1 4.36Å; F551-F589 AromaticContact CE2-CD2 3.79Å; F551-F589 HydrophobicContact CE2-CD2 3.79Å; F551-F589 HydrophobicContact CE2-CE2 4.24Å; F551-F589 AromaticContact CE2-CG 3.86Å; F551-F589 HydrophobicContact CE2-CG 3.86Å; T552-F589 HydrophobicContact CG2-CZ 4.28Å; I556-F589 HydrophobicContact CD1-CD2 4Å; I556-F589 HydrophobicContact CD1-CE2 4.11Å; I556-F589 HydrophobicContact CG2-CE2 3.93Å; I574-F589 HydrophobicContact CB-CB 4.35Å; I574-F589 PolarHBondContact N-O 2.94Å; I574-F589 PolarHBondContact O-N 2.88Å; V587-F589 HydrophobicContact CB-CE2 4.37Å; V587-F589 HydrophobicContact CG1-CE2 3.97Å; V587-F589 HydrophobicContact CG2-CD2 4.04Å; V587-F589 HydrophobicContact CG2-CE2 3.47Å; V587-F589 VanDerWaalsContact CG2-CE2 3.47Å; V587-F589 HydrophobicContact CG2-CZ 4.05Å
590	T	97.8	Very high	84.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.1	179.9	-59.7	0	0	0	0	109.9	H90 Y139 G140 K141 N571 V572 S573	H90-T590 PolarHBondContact N-O 3.36Å; H90-T590 PolarHBondContact O-N 3Å; Y139-T590 VanDerWaalsContact O-CG2 3.3Å; Y139-T590 WeakPolarHBondContact O-CG2 3.36Å; G140-T590 VanDerWaalsContact C-OG1 3.24Å; G140-T590 WeakPolarHBondContact O-CB 3.46Å; G140-T590 PolarHBondContact O-OG1 2.82Å; K141-T590 HydrophobicContact CG-CG2 3.61Å; N571-T590 HydrophobicContact CB-CG2 4.48Å; V572-T590 WeakPolarHBondContact O-CA 3.33Å; S573-T590 WeakPolarHBondContact CB-OG1 3.26Å; S573-T590 PolarHBondContact OG-OG1 2.98Å
591	I	97.4	Very high	85.7	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.2	-176.9	-55.3	166.5	0	0	0	107.8	L85 T89 I536 Y549 F551 N571 V572 I574 F593	L85-I591 HydrophobicContact CD2-CG2 4.21Å; T89-I591 HydrophobicContact CG2-CG1 4.2Å; I536-I591 HydrophobicContact CD1-CD1 4.35Å; I536-I591 HydrophobicContact CG2-CD1 3.82Å; Y549-I591 HydrophobicContact CD1-CD1 4.06Å; Y549-I591 HydrophobicContact CE1-CD1 3.94Å; Y549-I591 HydrophobicContact CE1-CG1 4.38Å; Y549-I591 HydrophobicContact CE1-CG2 4.43Å; F551-I591 HydrophobicContact CB-CD1 3.96Å; N571-I591 WeakPolarHBondContact CA-O 3.46Å; V572-I591 PolarHBondContact N-O 3.01Å; V572-I591 VanDerWaalsContact N-O 3.17Å; V572-I591 PolarHBondContact O-N 2.63Å; I574-I591 HydrophobicContact CD1-CD1 3.81Å; I591-F593 HydrophobicContact CB-CD2 4.35Å; I591-F593 HydrophobicContact CB-CE2 3.87Å; I591-F593 HydrophobicContact CG2-CD2 3.83Å; I591-F593 HydrophobicContact CG2-CE2 3.47Å; I591-F593 VanDerWaalsContact CG2-CE2 3.47Å; I591-F593 HydrophobicContact CG2-CZ 3.92Å
592	D	95.6	Very high	87.3	Confident	19 Å²	19	53.1 Å²	53.1	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.5	170.9	-168.8	-20.7	0	0	0	109.6	N88 K141 N571 R594	N88-D592 HydrophobicContact CB-CB 4.26Å; N88-D592 WeakPolarHBondContact CB-O 3.34Å; N88-D592 PolarHBondContact O-N 3.18Å; N88-D592 VanDerWaalsContact O-N 3.09Å; K141-D592 VanDerWaalsContact NZ-CB 3.33Å; K141-D592 IonicContact NZ-OD2 3.44Å; K141-D592 PolarHBondContact NZ-OD2 2.79Å; N571-D592 WeakPolarHBondContact OD1-CB 3.4Å; N571-D592 PolarHBondContact OD1-OD2 3.26Å; D592-R594 VanDerWaalsContact C-N 3.3Å; D592-R594 WeakPolarHBondContact OD1-CB 3.44Å; D592-R594 PolarHBondContact OD1-N 2.84Å
593	F	93.8	Very high	88.7	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.			trans	-84.9	0.3	-179.7	-76.3	-98	0	0	0	113.2	L85 L517 L522 V524 F538 M570 V572 I591 E595 L596	L85-F593 HydrophobicContact CD1-CD1 4.28Å; L85-F593 HydrophobicContact CD1-CE1 3.82Å; L85-F593 HydrophobicContact CD2-CD1 3.64Å; L85-F593 HydrophobicContact CD2-CE1 3.95Å; L85-F593 HydrophobicContact CD2-CG 4.11Å; L517-F593 HydrophobicContact CD1-CD2 4.47Å; L522-F593 HydrophobicContact CD1-CD1 4.23Å; L522-F593 HydrophobicContact CD2-CB 3.39Å; L522-F593 HydrophobicContact CD2-CD1 3.86Å; L522-F593 HydrophobicContact CD2-CD2 4.07Å; L522-F593 HydrophobicContact CD2-CG 3.52Å; V524-F593 HydrophobicContact CG1-CE1 4.45Å; V524-F593 HydrophobicContact CG1-CE2 4.02Å; V524-F593 HydrophobicContact CG1-CZ 3.91Å; F538-F593 HydrophobicContact CB-CE1 3.94Å; F538-F593 HydrophobicContact CB-CZ 4.4Å; F538-F593 HydrophobicContact CD1-CE1 4.01Å; F538-F593 HydrophobicContact CD2-CE1 4.37Å; F538-F593 AromaticContact CG-CE1 3.85Å; F538-F593 HydrophobicContact CG-CE1 3.85Å; M570-F593 VanDerWaalsContact CE-C 3.41Å; M570-F593 HydrophobicContact CE-CB 3.59Å; M570-F593 WeakPolarHBondContact CE-O 3.41Å; M570-F593 PolarHBondContact O-N 2.85Å; V572-F593 HydrophobicContact CG1-CD2 4.34Å; V572-F593 HydrophobicContact CG1-CE2 3.76Å; I591-F593 HydrophobicContact CB-CD2 4.35Å; I591-F593 HydrophobicContact CB-CE2 3.87Å; I591-F593 HydrophobicContact CG2-CD2 3.83Å; I591-F593 HydrophobicContact CG2-CE2 3.47Å; I591-F593 VanDerWaalsContact CG2-CE2 3.47Å; I591-F593 HydrophobicContact CG2-CZ 3.92Å; F593-E595 VanDerWaalsContact C-N 3.32Å; F593-E595 PolarHBondContact O-N 3.01Å; F593-L596 HydrophobicContact CD1-CD2 4Å; F593-L596 WeakPolarHBondContact O-CB 3.24Å; F593-L596 PolarHBondContact O-N 2.88Å
594	R	88.9	Confident	90	Very high	144 Å²	144	57 Å²	57	54%	0.543	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-38.4	-174.9	-170	176.8	-168	179.7	5.1	113.8	M570 D592 L596 L597	M570-R594 HydrophobicContact CB-CB 4.32Å; M570-R594 HydrophobicContact CG-CB 4.43Å; D592-R594 VanDerWaalsContact C-N 3.3Å; D592-R594 WeakPolarHBondContact OD1-CB 3.44Å; D592-R594 PolarHBondContact OD1-N 2.84Å; R594-L596 PolarHBondContact O-N 3.05Å; R594-L597 PolarHBondContact O-N 3.19Å
595	E	87.3	Confident	91	Very high	102 Å²	102	52.4 Å²	52.4	48%	0.477	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.1	177.2	-67.6	-156.8	151	0	0	114.1	K84 N88 F593	K84-E595 WeakPolarHBondContact CD-O 3.48Å; K84-E595 WeakPolarHBondContact CE-O 3.35Å; K84-E595 PolarHBondContact NZ-O 3.4Å; N88-E595 VanDerWaalsContact ND2-CD 3.35Å; N88-E595 PolarHBondContact ND2-OE2 3.49Å; F593-E595 VanDerWaalsContact C-N 3.32Å; F593-E595 PolarHBondContact O-N 3.01Å
596	L	86.4	Confident	91.4	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.073	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-46	169.5	-174.3	68	0	0	0	110.4	F538 T540 F593 R594 T598	F538-L596 HydrophobicContact CD2-CD2 3.83Å; F538-L596 HydrophobicContact CE2-CD1 4.26Å; F538-L596 HydrophobicContact CE2-CD2 3.47Å; F538-L596 VanDerWaalsContact CE2-CD2 3.47Å; F538-L596 HydrophobicContact CZ-CD1 4.43Å; F538-L596 HydrophobicContact CZ-CD2 4.22Å; T540-L596 HydrophobicContact CG2-CD2 4.09Å; F593-L596 HydrophobicContact CD1-CD2 4Å; F593-L596 WeakPolarHBondContact O-CB 3.24Å; F593-L596 PolarHBondContact O-N 2.88Å; R594-L596 PolarHBondContact O-N 3.05Å; L596-T598 PolarHBondContact O-N 3.11Å
597	L	85.5	Confident	91.5	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.052	27%	0.271	C	S	.	.	S	Bend	trans	-88.2	83	-178.5	-54.5	-175.8	0	0	0	110.2	T540 M570 R594 R599 V639 W641	T540-L597 HydrophobicContact CG2-CD2 4.28Å; M570-L597 HydrophobicContact CE-CD1 3.37Å; M570-L597 HydrophobicContact CE-CG 3.82Å; M570-L597 HydrophobicContact SD-CD1 3.93Å; R594-L597 PolarHBondContact O-N 3.19Å; L597-R599 PolarHBondContact O-N 2.81Å; L597-V639 HydrophobicContact CD2-CG1 3.52Å; L597-W641 HydrophobicContact CB-CB 4.1Å; L597-W641 HydrophobicContact CD1-CB 4.16Å
598	T	79.5	Confident	91.4	Very high	110 Å²	110	61 Å²	61	68%	0.675	31%	0.305	S	S	*	.			trans	-71.1	8.7	-169.1	56	0	0	0	0	116.5	L596	L596-T598 PolarHBondContact O-N 3.11Å
599	R	90.8	Very high	91.2	Very high	93 Å²	93	63.8 Å²	63.8	35%	0.351	32%	0.315	S	S	.	.	S	Bend	trans	-160.1	153.1	-176.9	66.7	-175.3	-172.2	96.9	-7.7	110.2	L597 D605 V639 C640 W641	L597-R599 PolarHBondContact O-N 2.81Å; R599-D605 IonicContact CZ-OD1 2.7Å; R599-D605 IonicContact CZ-OD2 3.89Å; R599-D605 VanDerWaalsContact NH1-CG 3.33Å; R599-D605 IonicContact NH1-OD1 3.2Å; R599-D605 PolarHBondContact NH1-OD1 2.87Å; R599-D605 IonicContact NH1-OD2 2.86Å; R599-D605 PolarHBondContact NH1-OD2 3.4Å; R599-D605 IonicContact NH2-OD1 2.92Å; R599-D605 PolarHBondContact NH2-OD1 2.7Å; R599-D605 IonicContact NH2-OD2 2.71Å; R599-V639 PolarHBondContact NE-O 2.98Å; R599-C640 HydrophobicContact CG-CB 3.79Å; R599-C640 CarbonylContact O-C 3.49Å; R599-C640 WeakPolarHBondContact O-CA 3.46Å; R599-W641 PolarHBondContact O-N 3.35Å
600	D	92.2	Very high	90.9	Very high	103 Å²	103	64.4 Å²	64.4	55%	0.551	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-69.7	157.1	166	-38.4	-69.4	0	0	0	110.2
601	C	92.6	Very high	90.7	Very high	22 Å²	22	64.5 Å²	64.5	15%	0.149	32%	0.32	C	S	.	.			trans	-81.4	139.4	172.2	-64.5	0	0	0	0	111.4	D605 Y606 C640 W641	C601-D605 HydrophobicContact CB-CB 4.33Å; C601-Y606 HydrophobicContact CB-CE2 3.84Å; C601-Y606 VanDerWaalsContact CB-OH 3.29Å; C601-Y606 WeakPolarHBondContact CB-OH 3.02Å; C601-C640 WeakPolarHBondContact CA-SG 3.41Å; C601-C640 HydrophobicContact CB-CB 3.96Å; C601-C640 WeakPolarHBondContact CB-SG 3.35Å; C601-C640 WeakPolarHBondContact SG-CB 3.2Å; C601-C640 CovalentContact SG-SG 2.04Å; C601-C640 PolarHBondContact SG-SG 2.8Å; C601-W641 PolarHBondContact N-O 3.39Å; C601-W641 PolarHBondContact SG-O 3.3Å; C601-W641 VanDerWaalsContact SG-O 3.41Å
602	N	92.6	Very high	90.3	Very high	99 Å²	99	65 Å²	65	53%	0.529	32%	0.322	S	S	.	.			trans	-106	167.9	174.7	-66	-23.4	0	0	0	110.6	D604 D605 Y606	N602-D604 PolarHBondContact O-N 2.93Å; N602-D604 VanDerWaalsContact O-N 3.09Å; N602-D605 PolarHBondContact N-OD2 2.98Å; N602-D605 WeakPolarHBondContact O-CB 3.49Å; N602-D605 PolarHBondContact O-N 2.86Å; N602-Y606 VanDerWaalsContact O-CD2 3.22Å; N602-Y606 WeakPolarHBondContact O-CD2 3.38Å; N602-Y606 WeakPolarHBondContact O-CE2 3.22Å
603	D	90	Very high	89.9	Confident	154 Å²	154	65.6 Å²	65.6	82%	0.824	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-47.9	-39.2	171.1	-65	-23.7	0	0	0	112.7	D605 Y606	D603-D605 PolarHBondContact O-N 3.24Å; D603-Y606 PolarHBondContact O-N 3.33Å
604	D	91.8	Very high	88.9	Confident	138 Å²	138	67.2 Å²	67.2	74%	0.738	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61.8	-17.9	177.2	-84.6	-30.6	0	0	0	114.2	N602 R635	N602-D604 PolarHBondContact O-N 2.93Å; N602-D604 VanDerWaalsContact O-N 3.09Å; D604-R635 PolarHBondContact O-NH1 3.28Å; D604-R635 PolarHBondContact O-NH2 3.23Å
605	D	92.3	Very high	88.2	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.059	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-85.8	-18.6	-179.7	-67.8	-62.8	0	0	0	113.7	R599 C601 N602 D603 L634 R635	R599-D605 IonicContact CZ-OD1 2.7Å; R599-D605 IonicContact CZ-OD2 3.89Å; R599-D605 VanDerWaalsContact NH1-CG 3.33Å; R599-D605 IonicContact NH1-OD1 3.2Å; R599-D605 PolarHBondContact NH1-OD1 2.87Å; R599-D605 IonicContact NH1-OD2 2.86Å; R599-D605 PolarHBondContact NH1-OD2 3.4Å; R599-D605 IonicContact NH2-OD1 2.92Å; R599-D605 PolarHBondContact NH2-OD1 2.7Å; R599-D605 IonicContact NH2-OD2 2.71Å; C601-D605 HydrophobicContact CB-CB 4.33Å; N602-D605 PolarHBondContact N-OD2 2.98Å; N602-D605 WeakPolarHBondContact O-CB 3.49Å; N602-D605 PolarHBondContact O-N 2.86Å; D603-D605 PolarHBondContact O-N 3.24Å; D605-L634 HydrophobicContact CB-CD1 3.95Å; D605-R635 PolarHBondContact O-N 3.25Å
606	Y	91.6	Very high	87.5	Confident	37 Å²	37	62.9 Å²	62.9	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	161.6	-178	-62.7	-85.7	0	0	0	112.1	C601 N602 D603 R633 L634 R635 N642 Y646	C601-Y606 HydrophobicContact CB-CE2 3.84Å; C601-Y606 VanDerWaalsContact CB-OH 3.29Å; C601-Y606 WeakPolarHBondContact CB-OH 3.02Å; N602-Y606 VanDerWaalsContact O-CD2 3.22Å; N602-Y606 WeakPolarHBondContact O-CD2 3.38Å; N602-Y606 WeakPolarHBondContact O-CE2 3.22Å; D603-Y606 PolarHBondContact O-N 3.33Å; Y606-R633 CarbonylContact C-O 3.42Å; Y606-R633 VanDerWaalsContact CA-O 3.29Å; Y606-R633 WeakPolarHBondContact CA-O 3.22Å; Y606-L634 HydrophobicContact CD1-CB 4.35Å; Y606-L634 HydrophobicContact CE1-CB 4.07Å; Y606-L634 HydrophobicContact CE1-CD1 4.48Å; Y606-R635 PolarHBondContact O-NH1 3.26Å; Y606-N642 PolarHBondContact OH-OD1 2.85Å; Y606-Y646 AromaticContact CE1-CE2 3.99Å; Y606-Y646 HydrophobicContact CE1-CE2 3.99Å
607	V	91.4	Very high	86.9	Confident	63 Å²	63	67 Å²	67	38%	0.382	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146	170.1	-80.1	0	0	0	0	110.5	W609 R633 R635	V607-W609 PolarHBondContact O-N 2.94Å; V607-R633 WeakPolarHBondContact CG2-O 3.2Å; V607-R633 PolarHBondContact N-O 3.25Å; V607-R633 PolarHBondContact O-N 3.49Å; V607-R635 HydrophobicContact CB-CG 4.17Å; V607-R635 HydrophobicContact CG1-CG 3.46Å; V607-R635 VanDerWaalsContact CG1-CG 3.46Å; V607-R635 HydrophobicContact CG2-CG 3.72Å
608	Q	90.3	Very high	86.4	Confident	152 Å²	152	70 Å²	70	71%	0.71	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	119.2	170.3	-71.2	179.8	-10.8	0	0	109.9	T630 F631 L632	Q608-T630 HydrophobicContact CB-CG2 4.07Å; Q608-T630 HydrophobicContact CG-CG2 4.32Å; Q608-F631 WeakPolarHBondContact CA-O 3.37Å; Q608-L632 HydrophobicContact CG-CD2 3.73Å
609	W	90.8	Very high	86.1	Confident	57 Å²	57	70.1 Å²	70.1	22%	0.216	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.3	173.3	179.6	75.3	0	0	0	108.9	L397 V473 D499 V607 A611 F631 R633	L397-W609 HydrophobicContact CD1-CH2 4.14Å; L397-W609 HydrophobicContact CD1-CZ3 4.22Å; L397-W609 HydrophobicContact CD2-CH2 4.31Å; V473-W609 HydrophobicContact CG1-CE3 4.24Å; V473-W609 HydrophobicContact CG1-CZ3 3.88Å; D499-W609 HydrophobicContact CB-CZ2 4.17Å; V607-W609 PolarHBondContact O-N 2.94Å; W609-A611 HydrophobicContact CE3-CB 4.29Å; W609-A611 HydrophobicContact CH2-CB 3.99Å; W609-A611 HydrophobicContact CZ3-CB 3.7Å; W609-F631 HydrophobicContact CE3-CB 4.31Å; W609-F631 AromaticContact CE3-CD2 3.95Å; W609-F631 HydrophobicContact CE3-CD2 3.95Å; W609-F631 HydrophobicContact CE3-CG 4.37Å; W609-F631 HydrophobicContact CZ3-CD2 4.06Å; W609-F631 HydrophobicContact CZ3-CE2 4.42Å; W609-F631 PolarHBondContact N-O 3.24Å; W609-F631 PolarHBondContact O-N 2.75Å; W609-R633 HydrophobicContact CB-CG 4.44Å
610	L	91.3	Very high	85.3	Confident	25 Å²	25	70 Å²	70	13%	0.131	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.3	171.6	-176.3	62.1	0	0	0	107.9	S613 I616 K628	L610-S613 WeakPolarHBondContact O-CB 3Å; L610-I616 HydrophobicContact CB-CD1 4.02Å; L610-I616 HydrophobicContact CB-CG1 4.49Å; L610-I616 HydrophobicContact CD2-CG1 4.19Å; L610-K628 HydrophobicContact CD1-CB 4.03Å; L610-K628 HydrophobicContact CD1-CD 4.32Å; L610-K628 HydrophobicContact CD2-CD 4.42Å
611	A	91.9	Very high	84.9	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	153.7	178.2	0	0	0	0	0	112.3	L397 W609 S613 G622 E629 F631	L397-A611 HydrophobicContact CD1-CB 3.93Å; W609-A611 HydrophobicContact CE3-CB 4.29Å; W609-A611 HydrophobicContact CH2-CB 3.99Å; W609-A611 HydrophobicContact CZ3-CB 3.7Å; A611-S613 PolarHBondContact O-N 2.9Å; A611-S613 VanDerWaalsContact O-N 3.13Å; A611-G622 WeakPolarHBondContact O-CA 3Å; A611-E629 WeakPolarHBondContact CB-O 3.46Å; A611-E629 PolarHBondContact N-O 3.39Å; A611-F631 HydrophobicContact CB-CD2 4.04Å; A611-F631 HydrophobicContact CB-CE2 3.69Å
612	H	90.6	Very high	84.4	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.046	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	31.5	176.2	-50.6	-95	0	0	0	114.5	R398 Y502 G622 M624	R398-H612 PolarHBondContact O-CE1 3.23Å; R398-H612 VanDerWaalsContact O-CE1 3.23Å; R398-H612 PolarHBondContact O-NE2 3.06Å; Y502-H612 HydrophobicContact CE2-CB 4.45Å; Y502-H612 AromaticContact CE2-ND1 3.62Å; Y502-H612 AromaticContact CZ-ND1 3.7Å; Y502-H612 WeakPolarHBondContact OH-CB 3.21Å; Y502-H612 PolarHBondContact OH-ND1 2.9Å; H612-G622 WeakPolarHBondContact O-CA 3.37Å; H612-G622 PolarHBondContact O-N 2.89Å; H612-M624 HydrophobicContact CB-CG 3.36Å; H612-M624 HydrophobicContact CB-SD 4.25Å
613	S	86	Confident	84.1	Confident	32 Å²	32	62.6 Å²	62.6	22%	0.224	35%	0.348	C	S	.	.			trans	-114.9	118.4	-167.5	173.1	0	0	0	0	112.6	L610 A611 I616 D621	L610-S613 WeakPolarHBondContact O-CB 3Å; A611-S613 PolarHBondContact O-N 2.9Å; A611-S613 VanDerWaalsContact O-N 3.13Å; S613-I616 WeakPolarHBondContact OG-CG1 3.45Å; S613-D621 WeakPolarHBondContact CA-OD1 3.39Å; S613-D621 VanDerWaalsContact CA-OD2 3.27Å; S613-D621 WeakPolarHBondContact CA-OD2 3.17Å; S613-D621 VanDerWaalsContact CB-OD2 3.3Å; S613-D621 WeakPolarHBondContact CB-OD2 3.4Å; S613-D621 PolarHBondContact OG-OD2 2.84Å
614	D	73.3	Confident	84	Confident	35 Å²	35	56.9 Å²	56.9	19%	0.187	32%	0.317	C	S	.	.	S	Bend	trans	-101.2	-25.8	-176.3	-73.5	-30.8	0	0	0	113.5	I64 R65 D621	I64-D614 HydrophobicContact CB-CB 4.35Å; I64-D614 WeakPolarHBondContact CD1-OD1 3.44Å; I64-D614 WeakPolarHBondContact CD1-OD2 3.33Å; I64-D614 HydrophobicContact CG1-CB 4.13Å; I64-D614 VanDerWaalsContact CG1-CG 3.42Å; I64-D614 WeakPolarHBondContact CG1-OD1 3.35Å; I64-D614 VanDerWaalsContact CG1-OD2 3.32Å; I64-D614 WeakPolarHBondContact CG1-OD2 3.49Å; I64-D614 HydrophobicContact CG2-CB 4.22Å; I64-D614 WeakPolarHBondContact CG2-OD1 3.26Å; R65-D614 PolarHBondContact N-O 2.76Å; D614-D621 VanDerWaalsContact N-CG 3.33Å; D614-D621 PolarHBondContact N-OD1 2.9Å; D614-D621 PolarHBondContact N-OD2 2.9Å
615	D	73.5	Confident	83.7	Confident	80 Å²	80	50.7 Å²	50.7	43%	0.428	28%	0.283	S	S	.	.			trans	-153.3	93.3	175.6	-166.2	-22.9	0	0	0	111.8	S617 D618 D621	D615-S617 PolarHBondContact O-N 2.86Å; D615-S617 WeakPolarHBondContact OD1-CB 3.39Å; D615-S617 PolarHBondContact OD1-N 2.88Å; D615-S617 PolarHBondContact OD1-OG 3.43Å; D615-D618 PolarHBondContact O-N 2.91Å; D615-D621 PolarHBondContact N-OD2 2.95Å
616	I	73.2	Confident	83.4	Confident	75 Å²	75	50.2 Å²	50.2	39%	0.385	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-4.8	176.9	-70.3	179.5	0	0	0	114.3	L610 S613	L610-I616 HydrophobicContact CB-CD1 4.02Å; L610-I616 HydrophobicContact CB-CG1 4.49Å; L610-I616 HydrophobicContact CD2-CG1 4.19Å; S613-I616 WeakPolarHBondContact OG-CG1 3.45Å
617	S	73.3	Confident	83.3	Confident	99 Å²	99	49.4 Å²	49.4	69%	0.692	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.9	168.4	73.1	0	0	0	0	114.6	D615	D615-S617 PolarHBondContact O-N 2.86Å; D615-S617 WeakPolarHBondContact OD1-CB 3.39Å; D615-S617 PolarHBondContact OD1-N 2.88Å; D615-S617 PolarHBondContact OD1-OG 3.43Å
618	D	76.3	Confident	83.3	Confident	73 Å²	73	47.9 Å²	47.9	39%	0.39	27%	0.266	S	S	.	.	S	Bend	trans	-88.1	125.4	174.9	-167.6	-51	0	0	0	110.9	D615 T620 D621	D615-D618 PolarHBondContact O-N 2.91Å; D618-T620 PolarHBondContact O-N 2.8Å; D618-T620 WeakPolarHBondContact OD1-CA 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.39Å; D618-T620 PolarHBondContact OD1-N 2.7Å; D618-T620 PolarHBondContact OD1-OG1 2.82Å; D618-D621 HydrophobicContact CB-CB 3.89Å; D618-D621 PolarHBondContact O-N 2.92Å
619	P	73.6	Confident	83.3	Confident	113 Å²	113	41.5 Å²	41.5	73%	0.734	24%	0.236	S	C	*	.	S	Bend	trans	-68.1	-12.8	179.7	29.1	-35.5	0	0	0	114	K628	P619-K628 WeakPolarHBondContact O-CE 3.01Å; P619-K628 PolarHBondContact O-NZ 3.46Å
620	T	72.9	Confident	83.3	Confident	91 Å²	91	40.7 Å²	40.7	56%	0.558	24%	0.237	S	C	*	.	S	Bend	trans	-98.1	-20.9	177.7	64.7	0	0	0	0	114.1	D618 C623	D618-T620 PolarHBondContact O-N 2.8Å; D618-T620 WeakPolarHBondContact OD1-CA 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.39Å; D618-T620 PolarHBondContact OD1-N 2.7Å; D618-T620 PolarHBondContact OD1-OG1 2.82Å; T620-C623 VanDerWaalsContact O-CB 3.29Å; T620-C623 WeakPolarHBondContact O-CB 3.1Å; T620-C623 PolarHBondContact O-N 3.41Å; T620-C623 PolarHBondContact O-SG 3.15Å
621	D	82.9	Confident	83.3	Confident	26 Å²	26	40.3 Å²	40.3	14%	0.139	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	141.7	-178.7	176.6	58.5	0	0	0	113.7	S613 D614 D615 D618 C623 K628	S613-D621 WeakPolarHBondContact CA-OD1 3.39Å; S613-D621 VanDerWaalsContact CA-OD2 3.27Å; S613-D621 WeakPolarHBondContact CA-OD2 3.17Å; S613-D621 VanDerWaalsContact CB-OD2 3.3Å; S613-D621 WeakPolarHBondContact CB-OD2 3.4Å; S613-D621 PolarHBondContact OG-OD2 2.84Å; D614-D621 VanDerWaalsContact N-CG 3.33Å; D614-D621 PolarHBondContact N-OD1 2.9Å; D614-D621 PolarHBondContact N-OD2 2.9Å; D615-D621 PolarHBondContact N-OD2 2.95Å; D618-D621 HydrophobicContact CB-CB 3.89Å; D618-D621 PolarHBondContact O-N 2.92Å; D621-C623 VanDerWaalsContact C-N 3.29Å; D621-C623 PolarHBondContact O-N 2.86Å; D621-K628 WeakPolarHBondContact O-CD 3.08Å; D621-K628 WeakPolarHBondContact O-CE 3.47Å; D621-K628 PolarHBondContact O-NZ 2.88Å
622	G	82.7	Confident	83.2	Confident	5 Å²	5	43.3 Å²	43.3	5%	0.052	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	8.4	-172.7	0	0	0	0	0	115.7	A611 H612 M624 K628	A611-G622 WeakPolarHBondContact O-CA 3Å; H612-G622 WeakPolarHBondContact O-CA 3.37Å; H612-G622 PolarHBondContact O-N 2.89Å; G622-M624 PolarHBondContact O-N 3.14Å; G622-K628 WeakPolarHBondContact O-CA 3.41Å; G622-K628 WeakPolarHBondContact O-CG 3.23Å
623	C	87.3	Confident	83.2	Confident	38 Å²	38	43.7 Å²	43.7	26%	0.257	25%	0.251	S	S	.	.			trans	-77.6	110.9	165.4	-75.2	0	0	0	0	110	T620 D621 K628 C655	T620-C623 VanDerWaalsContact O-CB 3.29Å; T620-C623 WeakPolarHBondContact O-CB 3.1Å; T620-C623 PolarHBondContact O-N 3.41Å; T620-C623 PolarHBondContact O-SG 3.15Å; D621-C623 VanDerWaalsContact C-N 3.29Å; D621-C623 PolarHBondContact O-N 2.86Å; C623-K628 WeakPolarHBondContact SG-CE 3.4Å; C623-C655 VanDerWaalsContact CA-SG 3.59Å; C623-C655 HydrophobicContact CB-CB 3.83Å; C623-C655 WeakPolarHBondContact CB-SG 3.41Å; C623-C655 WeakPolarHBondContact SG-CB 3.36Å; C623-C655 CovalentContact SG-SG 2.03Å; C623-C655 PolarHBondContact SG-SG 3.3Å
624	M	86.7	Confident	83.5	Confident	34 Å²	34	43.4 Å²	43.4	17%	0.167	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-129.1	125.6	174.3	-66	-58.7	-73.4	0	0	111.4	R398 F419 D420 H612 G622 G626 Y627	R398-M624 PolarHBondContact NH1-O 3.39Å; R398-M624 PolarHBondContact NH2-O 2.94Å; F419-M624 VanDerWaalsContact C-CE 3.49Å; F419-M624 HydrophobicContact CB-CE 3.99Å; F419-M624 WeakPolarHBondContact O-CE 3.29Å; D420-M624 HydrophobicContact CB-CE 3.92Å; H612-M624 HydrophobicContact CB-CG 3.36Å; H612-M624 HydrophobicContact CB-SD 4.25Å; G622-M624 PolarHBondContact O-N 3.14Å; M624-G626 PolarHBondContact O-N 3.25Å; M624-Y627 PolarHBondContact N-O 3.06Å; M624-Y627 PolarHBondContact O-N 3.02Å; M624-Y627 VanDerWaalsContact O-O 3.07Å
625	L	86.1	Confident	84.3	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.042	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	47.7	-174.5	-53.9	155.8	0	0	0	110.3	Q421 Y627 I707 D710 K711	Q421-L625 HydrophobicContact CB-CD1 3.99Å; Q421-L625 HydrophobicContact CB-CD2 4.1Å; L625-Y627 WeakPolarHBondContact O-CD1 3.35Å; L625-Y627 PolarHBondContact O-N 3.02Å; L625-I707 HydrophobicContact CD2-CB 3.96Å; L625-I707 HydrophobicContact CD2-CD1 3.94Å; L625-I707 HydrophobicContact CD2-CG2 3.46Å; L625-I707 VanDerWaalsContact CD2-CG2 3.46Å; L625-D710 WeakPolarHBondContact CA-OD2 3.38Å; L625-D710 HydrophobicContact CB-CB 4.26Å; L625-D710 WeakPolarHBondContact O-CA 3.45Å; L625-K711 PolarHBondContact O-N 3.41Å
626	G	86.4	Confident	85.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	6	174	0	0	0	0	0	118.5	M624 C655 D661 D710 K711 C712	M624-G626 PolarHBondContact O-N 3.25Å; G626-C655 WeakPolarHBondContact O-CB 3.4Å; G626-C655 PolarHBondContact O-N 3.2Å; G626-D661 VanDerWaalsContact CA-OD1 3.26Å; G626-D661 WeakPolarHBondContact CA-OD1 3.34Å; G626-D661 PolarHBondContact N-OD1 2.73Å; G626-D710 WeakPolarHBondContact CA-OD1 3.35Å; G626-D710 PolarHBondContact N-OD2 3.18Å; G626-D710 VanDerWaalsContact N-OD2 3.13Å; G626-K711 CarbonylContact O-C 3.58Å; G626-C712 VanDerWaalsContact CA-CB 3.46Å; G626-C712 WeakPolarHBondContact O-CA 3.46Å; G626-C712 PolarHBondContact O-N 3.38Å
627	Y	89.3	Confident	85.8	Confident	20 Å²	20	45.9 Å²	45.9	8%	0.078	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.9	170.5	66.9	-76.8	0	0	0	113.2	R398 M624 L625 E629 P652 T653 K711	R398-Y627 WeakPolarHBondContact CD-OH 3.31Å; R398-Y627 VanDerWaalsContact CZ-CE1 3.49Å; R398-Y627 VanDerWaalsContact CZ-OH 3.32Å; R398-Y627 PolarHBondContact NE-OH 2.02Å; R398-Y627 VanDerWaalsContact NE-OH 3.14Å; R398-Y627 VanDerWaalsContact NH1-CE1 3.32Å; M624-Y627 PolarHBondContact N-O 3.06Å; M624-Y627 PolarHBondContact O-N 3.02Å; M624-Y627 VanDerWaalsContact O-O 3.07Å; L625-Y627 WeakPolarHBondContact O-CD1 3.35Å; L625-Y627 PolarHBondContact O-N 3.02Å; Y627-E629 HydrophobicContact CD2-CG 3.74Å; Y627-E629 HydrophobicContact CE2-CG 3.44Å; Y627-E629 VanDerWaalsContact CE2-CG 3.44Å; Y627-E629 WeakPolarHBondContact CE2-OE1 3.41Å; Y627-E629 PolarHBondContact OH-OE1 3.23Å; Y627-P652 HydrophobicContact CD2-CB 3.56Å; Y627-P652 HydrophobicContact CE2-CB 3.78Å; Y627-T653 WeakPolarHBondContact CA-O 3.46Å; Y627-T653 WeakPolarHBondContact CB-O 3.37Å; Y627-K711 HydrophobicContact CD1-CB 3.91Å; Y627-K711 HydrophobicContact CD1-CD 4.11Å; Y627-K711 HydrophobicContact CD1-CG 4.47Å; Y627-K711 HydrophobicContact CE1-CB 4.37Å; Y627-K711 HydrophobicContact CE1-CD 3.75Å; Y627-K711 HydrophobicContact CE1-CG 4.44Å
628	K	90.4	Very high	86.5	Confident	31 Å²	31	41.6 Å²	41.6	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.3	172.3	-49.2	-155.9	-179.1	-172.2	0	111.1	L610 P619 D621 G622 C623 P652 T653 C655	L610-K628 HydrophobicContact CD1-CB 4.03Å; L610-K628 HydrophobicContact CD1-CD 4.32Å; L610-K628 HydrophobicContact CD2-CD 4.42Å; P619-K628 WeakPolarHBondContact O-CE 3.01Å; P619-K628 PolarHBondContact O-NZ 3.46Å; D621-K628 WeakPolarHBondContact O-CD 3.08Å; D621-K628 WeakPolarHBondContact O-CE 3.47Å; D621-K628 PolarHBondContact O-NZ 2.88Å; G622-K628 WeakPolarHBondContact O-CA 3.41Å; G622-K628 WeakPolarHBondContact O-CG 3.23Å; C623-K628 WeakPolarHBondContact SG-CE 3.4Å; K628-P652 CarbonylContact O-C 3.27Å; K628-P652 VanDerWaalsContact O-CA 3.31Å; K628-P652 WeakPolarHBondContact O-CA 3.42Å; K628-T653 PolarHBondContact N-O 3.12Å; K628-T653 PolarHBondContact O-N 3.23Å; K628-C655 VanDerWaalsContact CG-SG 3.51Å
629	E	90.6	Very high	87.1	Confident	19 Å²	19	40.5 Å²	40.5	9%	0.089	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.1	173.6	-73	168.3	131.3	0	0	110.5	R398 A611 Y627 F631	R398-E629 IonicContact CZ-OE2 2.71Å; R398-E629 IonicContact NE-OE1 3.23Å; R398-E629 PolarHBondContact NE-OE1 3.35Å; R398-E629 IonicContact NE-OE2 3.81Å; R398-E629 PolarHBondContact NE-OE2 3.34Å; R398-E629 IonicContact NH2-OE2 2.91Å; R398-E629 PolarHBondContact NH2-OE2 2.88Å; A611-E629 WeakPolarHBondContact CB-O 3.46Å; A611-E629 PolarHBondContact N-O 3.39Å; Y627-E629 HydrophobicContact CD2-CG 3.74Å; Y627-E629 HydrophobicContact CE2-CG 3.44Å; Y627-E629 VanDerWaalsContact CE2-CG 3.44Å; Y627-E629 WeakPolarHBondContact CE2-OE1 3.41Å; Y627-E629 PolarHBondContact OH-OE1 3.23Å; E629-F631 HydrophobicContact CB-CD2 4.3Å; E629-F631 HydrophobicContact CB-CE2 3.58Å; E629-F631 HydrophobicContact CB-CZ 4.16Å
630	T	90.6	Very high	88	Confident	39 Å²	39	35.2 Å²	35.2	24%	0.239	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.6	169	-54.9	0	0	0	0	108.9	Q608 Q651	Q608-T630 HydrophobicContact CB-CG2 4.07Å; Q608-T630 HydrophobicContact CG-CG2 4.32Å; T630-Q651 PolarHBondContact O-N 2.96Å; T630-Q651 VanDerWaalsContact O-N 3.16Å
631	F	91.1	Very high	88.9	Confident	18 Å²	18	33.2 Å²	33.2	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.6	178.1	-66.3	-98.2	0	0	0	110.4	V473 Q608 W609 A611 E629 R633 V648 T650	V473-F631 HydrophobicContact CB-CD1 4.33Å; V473-F631 HydrophobicContact CG1-CB 4.32Å; V473-F631 HydrophobicContact CG1-CD1 3.54Å; V473-F631 HydrophobicContact CG1-CD2 4.22Å; V473-F631 HydrophobicContact CG1-CE1 3.78Å; V473-F631 HydrophobicContact CG1-CE2 4.44Å; V473-F631 HydrophobicContact CG1-CG 3.78Å; V473-F631 HydrophobicContact CG1-CZ 4.24Å; V473-F631 HydrophobicContact CG2-CD1 3.82Å; V473-F631 HydrophobicContact CG2-CE1 4.08Å; Q608-F631 WeakPolarHBondContact CA-O 3.37Å; W609-F631 HydrophobicContact CE3-CB 4.31Å; W609-F631 AromaticContact CE3-CD2 3.95Å; W609-F631 HydrophobicContact CE3-CD2 3.95Å; W609-F631 HydrophobicContact CE3-CG 4.37Å; W609-F631 HydrophobicContact CZ3-CD2 4.06Å; W609-F631 HydrophobicContact CZ3-CE2 4.42Å; W609-F631 PolarHBondContact N-O 3.24Å; W609-F631 PolarHBondContact O-N 2.75Å; A611-F631 HydrophobicContact CB-CD2 4.04Å; A611-F631 HydrophobicContact CB-CE2 3.69Å; E629-F631 HydrophobicContact CB-CD2 4.3Å; E629-F631 HydrophobicContact CB-CE2 3.58Å; E629-F631 HydrophobicContact CB-CZ 4.16Å; F631-R633 HydrophobicContact CB-CG 4.29Å; F631-V648 HydrophobicContact CD1-CG1 3.51Å; F631-V648 HydrophobicContact CE1-CG1 3.65Å; F631-T650 HydrophobicContact CD1-CG2 3.61Å; F631-T650 HydrophobicContact CE1-CG2 3.36Å; F631-T650 HydrophobicContact CG-CG2 4.43Å; F631-T650 HydrophobicContact CZ-CG2 4Å
632	L	90.4	Very high	89.3	Confident	64 Å²	64	32.9 Å²	32.9	34%	0.335	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.1	158.9	-68.1	173.6	0	0	0	108.2	Q608	Q608-L632 HydrophobicContact CG-CD2 3.73Å
633	R	90.8	Very high	89.7	Confident	17 Å²	17	32.9 Å²	32.9	6%	0.064	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.1	178.4	-76.5	180	61.5	-177.1	-1	110.9	V473 D498 E542 Y606 V607 W609 F631	V473-R633 HydrophobicContact CB-CG 4.24Å; V473-R633 HydrophobicContact CG1-CG 4.32Å; V473-R633 VanDerWaalsContact O-CZ 3.26Å; V473-R633 PolarHBondContact O-NE 2.89Å; D498-R633 PolarHBondContact O-NH1 2.95Å; D498-R633 PolarHBondContact O-NH2 2.74Å; E542-R633 IonicContact OE1-CZ 2.76Å; E542-R633 IonicContact OE1-NE 2.8Å; E542-R633 IonicContact OE1-NH2 3.24Å; E542-R633 PolarHBondContact OE1-NH2 2.85Å; E542-R633 IonicContact OE2-NH2 3.45Å; E542-R633 PolarHBondContact OE2-NH2 2.75Å; Y606-R633 CarbonylContact C-O 3.42Å; Y606-R633 VanDerWaalsContact CA-O 3.29Å; Y606-R633 WeakPolarHBondContact CA-O 3.22Å; V607-R633 WeakPolarHBondContact CG2-O 3.2Å; V607-R633 PolarHBondContact N-O 3.25Å; V607-R633 PolarHBondContact O-N 3.49Å; W609-R633 HydrophobicContact CB-CG 4.44Å; F631-R633 HydrophobicContact CB-CG 4.29Å
634	L	91.6	Very high	89.7	Confident	26 Å²	26	34.4 Å²	34.4	14%	0.136	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	137.7	176.1	-179.6	59.4	0	0	0	109.7	D605 Y606	D605-L634 HydrophobicContact CB-CD1 3.95Å; Y606-L634 HydrophobicContact CD1-CB 4.35Å; Y606-L634 HydrophobicContact CE1-CB 4.07Å; Y606-L634 HydrophobicContact CE1-CD1 4.48Å
635	R	91	Very high	89.8	Confident	77 Å²	77	39.3 Å²	39.3	29%	0.291	19%	0.192	S	C	.	.			trans	-73.9	139.2	173.7	-74.1	-168	-57.1	-82.1	-6.2	111.9	D604 D605 Y606 V607 D637 S638	D604-R635 PolarHBondContact O-NH1 3.28Å; D604-R635 PolarHBondContact O-NH2 3.23Å; D605-R635 PolarHBondContact O-N 3.25Å; Y606-R635 PolarHBondContact O-NH1 3.26Å; V607-R635 HydrophobicContact CB-CG 4.17Å; V607-R635 HydrophobicContact CG1-CG 3.46Å; V607-R635 VanDerWaalsContact CG1-CG 3.46Å; V607-R635 HydrophobicContact CG2-CG 3.72Å; R635-D637 WeakPolarHBondContact CB-OD1 3.32Å; R635-D637 IonicContact NE-OD1 3.55Å; R635-D637 PolarHBondContact NE-OD1 3.11Å; R635-D637 VanDerWaalsContact NE-OD1 3.1Å; R635-D637 PolarHBondContact O-N 2.62Å; R635-S638 PolarHBondContact NE-OG 2.68Å; R635-S638 PolarHBondContact NH2-OG 3.39Å; R635-S638 WeakPolarHBondContact O-CB 3.13Å; R635-S638 PolarHBondContact O-N 3.33Å
636	K	89.8	Confident	90	Very high	55 Å²	55	40.3 Å²	40.3	24%	0.239	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-20.2	173.1	-60.9	169.4	-178	173.5	0	114.7	D498 D541 E542	D498-K636 IonicContact OD1-NZ 2.84Å; D498-K636 PolarHBondContact OD1-NZ 3.41Å; D498-K636 WeakPolarHBondContact OD2-CE 3.48Å; D498-K636 IonicContact OD2-NZ 3.97Å; D498-K636 PolarHBondContact OD2-NZ 3.27Å; D541-K636 HydrophobicContact CB-CB 4.35Å; D541-K636 VanDerWaalsContact CB-O 3.23Å; D541-K636 WeakPolarHBondContact CB-O 3.2Å; E542-K636 HydrophobicContact CB-CG 4.39Å; E542-K636 HydrophobicContact CG-CG 4.3Å; E542-K636 WeakPolarHBondContact OE2-CE 3.19Å; E542-K636 IonicContact OE2-NZ 3.11Å
637	D	87.4	Confident	90.1	Very high	111 Å²	111	45.5 Å²	45.5	59%	0.594	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-9.3	176.6	79	-25.5	0	0	0	114.4	R635	R635-D637 WeakPolarHBondContact CB-OD1 3.32Å; R635-D637 IonicContact NE-OD1 3.55Å; R635-D637 PolarHBondContact NE-OD1 3.11Å; R635-D637 VanDerWaalsContact NE-OD1 3.1Å; R635-D637 PolarHBondContact O-N 2.62Å
638	S	89.3	Confident	89.9	Confident	8 Å²	8	46.6 Å²	46.6	6%	0.056	24%	0.236	C	C	.	.			trans	-105.8	83.6	-164.6	-66	0	0	0	0	110.5	R635 C640	R635-S638 PolarHBondContact NE-OG 2.68Å; R635-S638 PolarHBondContact NH2-OG 3.39Å; R635-S638 WeakPolarHBondContact O-CB 3.13Å; R635-S638 PolarHBondContact O-N 3.33Å; S638-C640 PolarHBondContact O-N 3.2Å; S638-C640 VanDerWaalsContact O-N 3.15Å; S638-C640 PolarHBondContact O-SG 3.27Å
639	V	89.3	Confident	89.3	Confident	50 Å²	50	49.2 Å²	49.2	30%	0.303	25%	0.251	S	S	.	.			trans	-73.6	104.4	179.7	-171.7	0	0	0	0	110.2	L597 R599	L597-V639 HydrophobicContact CD2-CG1 3.52Å; R599-V639 PolarHBondContact NE-O 2.98Å
640	C	91.4	Very high	88.8	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.014	26%	0.262	C	S	.	.			trans	-157.4	167.4	177.1	54.4	0	0	0	0	110.5	R599 C601 S638	R599-C640 HydrophobicContact CG-CB 3.79Å; R599-C640 CarbonylContact O-C 3.49Å; R599-C640 WeakPolarHBondContact O-CA 3.46Å; C601-C640 WeakPolarHBondContact CA-SG 3.41Å; C601-C640 HydrophobicContact CB-CB 3.96Å; C601-C640 WeakPolarHBondContact CB-SG 3.35Å; C601-C640 WeakPolarHBondContact SG-CB 3.2Å; C601-C640 CovalentContact SG-SG 2.04Å; C601-C640 PolarHBondContact SG-SG 2.8Å; S638-C640 PolarHBondContact O-N 3.2Å; S638-C640 VanDerWaalsContact O-N 3.15Å; S638-C640 PolarHBondContact O-SG 3.27Å
641	W	92.1	Very high	88.2	Confident	49 Å²	49	54.9 Å²	54.9	19%	0.186	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-89.7	122.1	177	-177	43.9	0	0	0	110.4	D518 L597 R599 C601 G643	D518-W641 PolarHBondContact OD1-NE1 2.95Å; D518-W641 VanDerWaalsContact OD1-NE1 3.12Å; D518-W641 WeakPolarHBondContact OD2-CA 3.35Å; L597-W641 HydrophobicContact CB-CB 4.1Å; L597-W641 HydrophobicContact CD1-CB 4.16Å; R599-W641 PolarHBondContact O-N 3.35Å; C601-W641 PolarHBondContact N-O 3.39Å; C601-W641 PolarHBondContact SG-O 3.3Å; C601-W641 VanDerWaalsContact SG-O 3.41Å; W641-G643 VanDerWaalsContact C-N 3.29Å; W641-G643 PolarHBondContact O-N 2.04Å
642	N	91.4	Very high	88	Confident	19 Å²	19	57.9 Å²	57.9	10%	0.102	30%	0.3	C	S	.	.			trans	-66.3	-32	177.3	-78	-55.8	0	0	0	112.2	D518 Y606 Y646	D518-N642 PolarHBondContact O-ND2 3.29Å; D518-N642 PolarHBondContact OD2-N 2.91Å; Y606-N642 PolarHBondContact OH-OD1 2.85Å; N642-Y646 HydrophobicContact CB-CD2 4.15Å; N642-Y646 HydrophobicContact CB-CG 4.13Å
643	G	90.1	Very high	87.9	Confident	5 Å²	5	58.5 Å²	58.5	5%	0.052	31%	0.306	C	S	.	.			trans	97.3	145.2	-178.7	0	0	0	0	0	113.1	D518 W641 D645 Y646	D518-G643 PolarHBondContact OD1-N 2.58Å; W641-G643 VanDerWaalsContact C-N 3.29Å; W641-G643 PolarHBondContact O-N 2.04Å; G643-D645 PolarHBondContact O-N 2.91Å; G643-Y646 WeakPolarHBondContact O-CB 3.39Å; G643-Y646 PolarHBondContact O-N 2.92Å
644	R	88.7	Confident	87.9	Confident	70 Å²	70	61.2 Å²	61.2	26%	0.264	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22	179.8	175.6	165.9	159.9	70	33.2	112.6	D108 E564 R568	D108-R644 IonicContact OD1-CZ 2.74Å; D108-R644 VanDerWaalsContact OD1-CZ 3.23Å; D108-R644 IonicContact OD1-NH1 2.74Å; D108-R644 PolarHBondContact OD1-NH1 2.85Å; D108-R644 IonicContact OD1-NH2 3.64Å; D108-R644 PolarHBondContact OD1-NH2 2.94Å; D108-R644 IonicContact OD2-CZ 2.74Å; D108-R644 IonicContact OD2-NH1 3.2Å; D108-R644 IonicContact OD2-NH2 3.57Å; D108-R644 PolarHBondContact OD2-NH2 2.83Å; E564-R644 IonicContact OE1-NH1 3.95Å; E564-R644 IonicContact OE2-CZ 3.9Å; E564-R644 IonicContact OE2-NH1 2.81Å; E564-R644 PolarHBondContact OE2-NH1 3.2Å; R568-R644 HydrophobicContact CB-CG 4.27Å; R568-R644 PolarHBondContact NH1-O 3.01Å
645	D	89.1	Confident	87.8	Confident	138 Å²	138	60.4 Å²	60.4	74%	0.738	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	4.7	172.8	57.6	-40.9	0	0	0	114.2	G643 T647	G643-D645 PolarHBondContact O-N 2.91Å; D645-T647 PolarHBondContact O-N 3.27Å
646	Y	89.1	Confident	87.8	Confident	29 Å²	29	60 Å²	60	11%	0.114	34%	0.336	C	S	.	.			trans	-51.2	131.5	174.1	174.4	-102.6	0	0	0	112.1	S519 R568 Y606 N642 G643 V648	S519-Y646 WeakPolarHBondContact OG-CD1 3.48Å; R568-Y646 PolarHBondContact NH1-O 2.84Å; R568-Y646 PolarHBondContact NH2-O 2.88Å; R568-Y646 VanDerWaalsContact NH2-O 3.1Å; Y606-Y646 AromaticContact CE1-CE2 3.99Å; Y606-Y646 HydrophobicContact CE1-CE2 3.99Å; N642-Y646 HydrophobicContact CB-CD2 4.15Å; N642-Y646 HydrophobicContact CB-CG 4.13Å; G643-Y646 WeakPolarHBondContact O-CB 3.39Å; G643-Y646 PolarHBondContact O-N 2.92Å; Y646-V648 HydrophobicContact CE1-CG2 3.97Å
647	T	87.9	Confident	87.8	Confident	108 Å²	108	57.6 Å²	57.6	66%	0.663	33%	0.326	S	S	*	.			trans	-127	134.5	177.6	44.1	0	0	0	0	109.8	D645 N649	D645-T647 PolarHBondContact O-N 3.27Å; T647-N649 PolarHBondContact O-N 2.87Å
648	V	87	Confident	87.6	Confident	43 Å²	43	54.9 Å²	54.9	26%	0.261	31%	0.314	S	S	.	.			trans	-71.5	103.1	179.8	-178.8	0	0	0	0	108.9	N471 V473 F631 Y646 T650	N471-V648 HydrophobicContact CB-CG2 4.44Å; V473-V648 HydrophobicContact CG2-CB 4.38Å; V473-V648 HydrophobicContact CG2-CG1 3.5Å; V473-V648 VanDerWaalsContact CG2-CG1 3.5Å; V473-V648 HydrophobicContact CG2-CG2 3.88Å; F631-V648 HydrophobicContact CD1-CG1 3.51Å; F631-V648 HydrophobicContact CE1-CG1 3.65Å; Y646-V648 HydrophobicContact CE1-CG2 3.97Å; V648-T650 HydrophobicContact CG1-CG2 3.9Å; V648-T650 PolarHBondContact O-N 2.82Å
649	N	76.5	Confident	87.2	Confident	86 Å²	86	57 Å²	57	46%	0.46	32%	0.324	S	S	.	.			trans	-82.2	115.9	179.9	-169.7	-3.1	0	0	0	109.9	T647	T647-N649 PolarHBondContact O-N 2.87Å
650	T	81.1	Confident	86.6	Confident	53 Å²	53	59.2 Å²	59.2	33%	0.325	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.2	-178.9	69.3	0	0	0	0	111.6	F631 V648	F631-T650 HydrophobicContact CD1-CG2 3.61Å; F631-T650 HydrophobicContact CE1-CG2 3.36Å; F631-T650 HydrophobicContact CG-CG2 4.43Å; F631-T650 HydrophobicContact CZ-CG2 4Å; V648-T650 HydrophobicContact CG1-CG2 3.9Å; V648-T650 PolarHBondContact O-N 2.82Å
651	Q	77.1	Confident	86.2	Confident	125 Å²	125	59.5 Å²	59.5	58%	0.584	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	94.2	173.2	-65.7	-172.3	8.7	0	0	109.8	T630 T653	T630-Q651 PolarHBondContact O-N 2.96Å; T630-Q651 VanDerWaalsContact O-N 3.16Å; Q651-T653 PolarHBondContact O-N 3.35Å
652	P	86.6	Confident	85.7	Confident	80 Å²	80	57.9 Å²	57.9	52%	0.519	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.1	178.7	28.3	-33.5	0	0	0	110.6	Y627 K628	Y627-P652 HydrophobicContact CD2-CB 3.56Å; Y627-P652 HydrophobicContact CE2-CB 3.78Å; K628-P652 CarbonylContact O-C 3.27Å; K628-P652 VanDerWaalsContact O-CA 3.31Å; K628-P652 WeakPolarHBondContact O-CA 3.42Å
653	T	88.6	Confident	85.1	Confident	77 Å²	77	57.5 Å²	57.5	47%	0.472	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	111.4	177.7	-56.7	0	0	0	0	109.4	Y627 K628 Q651	Y627-T653 WeakPolarHBondContact CA-O 3.46Å; Y627-T653 WeakPolarHBondContact CB-O 3.37Å; K628-T653 PolarHBondContact N-O 3.12Å; K628-T653 PolarHBondContact O-N 3.23Å; Q651-T653 PolarHBondContact O-N 3.35Å
654	P	90.2	Very high	84.7	Confident	74 Å²	74	57.8 Å²	57.8	48%	0.481	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	143	-178.4	-26.4	35.2	0	0	0	113.6	E713	P654-E713 HydrophobicContact CB-CG 4.32Å
655	C	90.9	Very high	84.4	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.068	32%	0.317	C	S	.	.			trans	-105.3	156.2	176	-64.9	0	0	0	0	111.6	C623 G626 K628 C712 E713	C623-C655 VanDerWaalsContact CA-SG 3.59Å; C623-C655 HydrophobicContact CB-CB 3.83Å; C623-C655 WeakPolarHBondContact CB-SG 3.41Å; C623-C655 WeakPolarHBondContact SG-CB 3.36Å; C623-C655 CovalentContact SG-SG 2.03Å; C623-C655 PolarHBondContact SG-SG 3.3Å; G626-C655 WeakPolarHBondContact O-CB 3.4Å; G626-C655 PolarHBondContact O-N 3.2Å; K628-C655 VanDerWaalsContact CG-SG 3.51Å; C655-C712 WeakPolarHBondContact O-CA 3.25Å; C655-E713 PolarHBondContact O-N 3.2Å
656	A	90.7	Very high	83.9	Confident	67 Å²	67	49.5 Å²	49.5	55%	0.554	29%	0.288	S	S	*	.	B	Isolated β-bridge	trans	-75.8	131.7	170.1	0	0	0	0	0	110.1	T658 E713	A656-T658 PolarHBondContact O-N 3.47Å; A656-E713 WeakPolarHBondContact CA-O 3.48Å
657	C	88.6	Confident	83.3	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.041	28%	0.284	C	S	.	.			trans	-58.1	131	-178.4	-56.2	0	0	0	0	112.6	F662 C712 G714 G715 Q716	C657-F662 HydrophobicContact CB-CE2 4.26Å; C657-C712 VanDerWaalsContact CA-SG 3.55Å; C657-C712 HydrophobicContact CB-CB 3.88Å; C657-C712 WeakPolarHBondContact CB-SG 3.34Å; C657-C712 WeakPolarHBondContact SG-CB 3.41Å; C657-C712 PolarHBondContact SG-O 3.24Å; C657-C712 CovalentContact SG-SG 2.03Å; C657-C712 PolarHBondContact SG-SG 3.38Å; C657-G714 VanDerWaalsContact CB-O 3.27Å; C657-G714 WeakPolarHBondContact CB-O 3.04Å; C657-G714 PolarHBondContact SG-O 3.49Å; C657-G715 CarbonylContact O-C 3.57Å; C657-G715 WeakPolarHBondContact O-CA 3.47Å; C657-Q716 PolarHBondContact O-N 3.05Å
658	T	84.5	Confident	82.9	Confident	54 Å²	54	44.7 Å²	44.7	33%	0.331	26%	0.259	S	S	.	.			trans	-104.4	-163.1	173.5	67.9	0	0	0	0	110	A656 D660 D661 F662	A656-T658 PolarHBondContact O-N 3.47Å; T658-D660 PolarHBondContact OG1-N 2.96Å; T658-D661 WeakPolarHBondContact CB-OD2 3.3Å; T658-D661 PolarHBondContact N-OD2 2.9Å; T658-D661 PolarHBondContact OG1-N 3.45Å; T658-D661 PolarHBondContact OG1-OD2 3.03Å; T658-F662 VanDerWaalsContact O-CD2 3.24Å; T658-F662 WeakPolarHBondContact O-CD2 3.43Å; T658-F662 VanDerWaalsContact O-CE2 3.26Å; T658-F662 WeakPolarHBondContact O-CE2 3.47Å
659	L	79.9	Confident	82.4	Confident	53 Å²	53	44.6 Å²	44.6	28%	0.277	26%	0.26	S	S	.	.	S	Bend	trans	-86.7	-17.1	164.4	-79.6	176.8	0	0	0	112.7	F662 Y704 P718	L659-F662 WeakPolarHBondContact O-CB 3.39Å; L659-F662 PolarHBondContact O-N 3.26Å; L659-Y704 HydrophobicContact CD2-CD1 4.18Å; L659-Y704 HydrophobicContact CD2-CE1 4.06Å; L659-P718 HydrophobicContact CD2-CG 4.03Å
660	D	77.7	Confident	82.2	Confident	95 Å²	95	43.2 Å²	43.2	51%	0.508	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-24.2	-173.5	-51.4	-55	0	0	0	111.1	T658 F662 I707	T658-D660 PolarHBondContact OG1-N 2.96Å; D660-F662 PolarHBondContact O-N 2.82Å; D660-I707 WeakPolarHBondContact O-CD1 3.11Å
661	D	81.8	Confident	81.4	Confident	9 Å²	9	47 Å²	47	5%	0.048	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	3.6	164.4	-53.8	-78.7	0	0	0	113.5	G626 T658 I707 D710	G626-D661 VanDerWaalsContact CA-OD1 3.26Å; G626-D661 WeakPolarHBondContact CA-OD1 3.34Å; G626-D661 PolarHBondContact N-OD1 2.73Å; T658-D661 WeakPolarHBondContact CB-OD2 3.3Å; T658-D661 PolarHBondContact N-OD2 2.9Å; T658-D661 PolarHBondContact OG1-N 3.45Å; T658-D661 PolarHBondContact OG1-OD2 3.03Å; D661-I707 PolarHBondContact O-N 2.74Å; D661-I707 VanDerWaalsContact O-N 3.17Å; D661-D710 VanDerWaalsContact CB-OD2 3.3Å; D661-D710 WeakPolarHBondContact CB-OD2 3.44Å
662	F	81.4	Confident	80.3	Confident	15 Å²	15	46.2 Å²	46.2	7%	0.066	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.8	179.2	-62.3	-103.3	0	0	0	111.9	C657 T658 L659 D660 R670 Y704 R705 K706 P718	C657-F662 HydrophobicContact CB-CE2 4.26Å; T658-F662 VanDerWaalsContact O-CD2 3.24Å; T658-F662 WeakPolarHBondContact O-CD2 3.43Å; T658-F662 VanDerWaalsContact O-CE2 3.26Å; T658-F662 WeakPolarHBondContact O-CE2 3.47Å; L659-F662 WeakPolarHBondContact O-CB 3.39Å; L659-F662 PolarHBondContact O-N 3.26Å; D660-F662 PolarHBondContact O-N 2.82Å; F662-R670 PolarHBondContact O-NH2 2.81Å; F662-R670 VanDerWaalsContact O-NH2 3.09Å; F662-Y704 HydrophobicContact CB-CD1 4.04Å; F662-R705 CarbonylContact C-O 3.53Å; F662-R705 WeakPolarHBondContact CA-O 3.41Å; F662-K706 HydrophobicContact CD1-CB 4Å; F662-K706 VanDerWaalsContact CD1-N 3.31Å; F662-K706 HydrophobicContact CE1-CB 3.74Å; F662-K706 HydrophobicContact CE1-CG 4.35Å; F662-K706 HydrophobicContact CZ-CB 4.37Å; F662-P718 HydrophobicContact CD1-CG 3.92Å; F662-P718 HydrophobicContact CD2-CG 4.35Å; F662-P718 HydrophobicContact CE1-CG 4.02Å; F662-P718 HydrophobicContact CE2-CG 4.42Å; F662-P718 HydrophobicContact CG-CG 4.14Å; F662-P718 VanDerWaalsContact CZ-CD 3.44Å; F662-P718 HydrophobicContact CZ-CG 4.29Å
663	L	79.2	Confident	78.7	Confident	10 Å²	10	47.4 Å²	47.4	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	166.8	167.4	54.5	71.5	0	0	0	110.6	V365 D665 Y704 R705 I707	V365-L663 HydrophobicContact CG1-CD2 4.21Å; L663-D665 PolarHBondContact O-N 3.17Å; L663-Y704 WeakPolarHBondContact O-CA 3.44Å; L663-R705 HydrophobicContact CD1-CB 3.92Å; L663-R705 HydrophobicContact CD1-CG 4.49Å; L663-R705 PolarHBondContact N-O 3.09Å; L663-R705 PolarHBondContact O-N 2.92Å; L663-I707 HydrophobicContact CB-CG1 4.07Å; L663-I707 HydrophobicContact CD2-CG1 4.18Å; L663-I707 HydrophobicContact CD2-CG2 4.37Å; L663-I707 HydrophobicContact CG-CG1 3.99Å
664	C	81.3	Confident	77.5	Confident	12 Å²	12	45.8 Å²	45.8	8%	0.081	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.5	175.1	-56.7	0	0	0	0	111.2	S374 R670 C677 G703	S374-C664 VanDerWaalsContact CB-O 3.23Å; S374-C664 WeakPolarHBondContact CB-O 3.37Å; C664-R670 WeakPolarHBondContact SG-CG 3.43Å; C664-R670 PolarHBondContact SG-N 3.4Å; C664-C677 WeakPolarHBondContact CA-SG 3.09Å; C664-C677 HydrophobicContact CB-CB 3.84Å; C664-C677 WeakPolarHBondContact CB-SG 3.2Å; C664-C677 VanDerWaalsContact SG-CA 3.6Å; C664-C677 WeakPolarHBondContact SG-CB 3.33Å; C664-C677 CovalentContact SG-SG 2.04Å; C664-C677 PolarHBondContact SG-SG 2.88Å; C664-G703 WeakPolarHBondContact CA-O 3.07Å
665	D	83.4	Confident	76.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-72.6	171.7	179.1	-153.3	-1.6	0	0	0	111.4	L663 G667 Y668 T701 G703 R705 R720	L663-D665 PolarHBondContact O-N 3.17Å; D665-G667 PolarHBondContact O-N 2.9Å; D665-Y668 PolarHBondContact O-N 2.68Å; D665-T701 HydrophobicContact CB-CG2 4.04Å; D665-T701 WeakPolarHBondContact OD2-CB 3.23Å; D665-T701 PolarHBondContact OD2-OG1 2.61Å; D665-G703 PolarHBondContact N-O 3.38Å; D665-R705 HydrophobicContact CB-CB 3.99Å; D665-R720 VanDerWaalsContact CG-NE 3.33Å; D665-R720 IonicContact OD1-CZ 3.56Å; D665-R720 IonicContact OD1-NE 3.7Å; D665-R720 PolarHBondContact OD1-NE 2.8Å; D665-R720 IonicContact OD1-NH2 2.66Å; D665-R720 PolarHBondContact OD1-NH2 3.45Å; D665-R720 VanDerWaalsContact OD2-CD 3.32Å; D665-R720 WeakPolarHBondContact OD2-CD 3.46Å; D665-R720 IonicContact OD2-CZ 3.57Å; D665-R720 IonicContact OD2-NE 3.63Å; D665-R720 PolarHBondContact OD2-NE 2.87Å; D665-R720 IonicContact OD2-NH2 2.58Å
666	F	77.8	Confident	75.6	Confident	33 Å²	33	50.8 Å²	50.8	15%	0.145	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	135.4	176.1	171.8	-128.2	0	0	0	111.4	Q328 V372 L683 L688 L699	Q328-F666 HydrophobicContact CG-CD2 3.91Å; Q328-F666 HydrophobicContact CG-CE2 3.88Å; Q328-F666 HydrophobicContact CG-CG 4.38Å; Q328-F666 HydrophobicContact CG-CZ 4.32Å; Q328-F666 VanDerWaalsContact OE1-CD2 3.24Å; V372-F666 HydrophobicContact CG1-CB 3.93Å; F666-L683 HydrophobicContact CE2-CD1 3.8Å; F666-L683 HydrophobicContact CZ-CD1 4.2Å; F666-L688 HydrophobicContact CD1-CB 4.04Å; F666-L688 HydrophobicContact CD1-CD2 3.97Å; F666-L688 HydrophobicContact CD1-CG 4.48Å; F666-L688 HydrophobicContact CE1-CB 4.03Å; F666-L688 HydrophobicContact CE1-CD2 3.76Å; F666-L688 HydrophobicContact CE1-CG 4.49Å; F666-L688 HydrophobicContact CZ-CD2 4.16Å; F666-L688 VanDerWaalsContact O-CD1 3.32Å; F666-L688 WeakPolarHBondContact O-CD1 3.32Å; F666-L699 HydrophobicContact CB-CD2 3.83Å; F666-L699 HydrophobicContact CD1-CD2 4.28Å
667	G	77	Confident	75.1	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-7.2	-175.8	0	0	0	0	0	115.3	D665 Q680	D665-G667 PolarHBondContact O-N 2.9Å; G667-Q680 WeakPolarHBondContact O-CG 3.27Å; G667-Q680 PolarHBondContact O-N 2.81Å
668	Y	80.5	Confident	74.9	Confident	34 Å²	34	49 Å²	49	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	159.3	-175.5	-70.1	-112	0	0	0	112.5	D665 C677 V678 E679 Q680 L688 T701 G703	D665-Y668 PolarHBondContact O-N 2.68Å; Y668-C677 HydrophobicContact CD1-CB 4.44Å; Y668-V678 CarbonylContact C-O 3.58Å; Y668-V678 WeakPolarHBondContact CA-O 3.44Å; Y668-V678 WeakPolarHBondContact CB-O 3.32Å; Y668-E679 HydrophobicContact CD1-CG 4.34Å; Y668-E679 HydrophobicContact CE1-CG 3.76Å; Y668-E679 HydrophobicContact CE2-CG 4.19Å; Y668-Q680 PolarHBondContact O-NE2 2.84Å; Y668-L688 HydrophobicContact CE2-CD1 4.23Å; Y668-T701 HydrophobicContact CD2-CG2 4.23Å; Y668-T701 HydrophobicContact CE2-CG2 3.78Å; Y668-T701 PolarHBondContact OH-O 2.75Å; Y668-G703 VanDerWaalsContact CE1-CA 3.42Å
669	S	75.4	Confident	74.8	Confident	41 Å²	41	50.3 Å²	50.3	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.8	170.8	59.3	0	0	0	0	111.2	V678	S669-V678 PolarHBondContact N-O 2.96Å; S669-V678 WeakPolarHBondContact O-CG2 3.32Å; S669-V678 PolarHBondContact O-N 2.82Å
670	R	72.6	Confident	74.6	Confident	56 Å²	56	50 Å²	50	21%	0.211	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	146.5	169.4	-67.5	-171.1	176.8	159.4	-0	108.9	D420 G423 F662 C664	D420-R670 IonicContact OD2-NH1 3.21Å; G423-R670 PolarHBondContact O-NH1 3.5Å; F662-R670 PolarHBondContact O-NH2 2.81Å; F662-R670 VanDerWaalsContact O-NH2 3.09Å; C664-R670 WeakPolarHBondContact SG-CG 3.43Å; C664-R670 PolarHBondContact SG-N 3.4Å
671	K	64.2	Low	74.8	Confident	133 Å²	133	50.6 Å²	50.6	58%	0.578	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	152.4	168.3	-94.5	167.7	177.7	152.4	0	109.9	N673 S674 V678	K671-N673 PolarHBondContact O-N 3.11Å; K671-N673 VanDerWaalsContact O-N 3.15Å; K671-S674 PolarHBondContact O-N 2.88Å; K671-V678 HydrophobicContact CD-CG1 4.26Å; K671-V678 HydrophobicContact CD-CG2 3.89Å; K671-V678 HydrophobicContact CG-CG2 3.85Å
672	E	54.2	Low	74.4	Confident	108 Å²	108	56.2 Å²	56.2	51%	0.505	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	118.8	173.2	-160.7	-168.4	160	0	0	110.6	S54 W55	S54-E672 WeakPolarHBondContact CA-OE1 3.06Å; S54-E672 WeakPolarHBondContact CB-OE1 3.18Å; S54-E672 VanDerWaalsContact OG-CD 3.26Å; S54-E672 PolarHBondContact OG-OE1 3.39Å; S54-E672 PolarHBondContact OG-OE2 3.05Å; W55-E672 PolarHBondContact N-OE1 2.63Å
673	N	53.6	Low	73.9	Confident	106 Å²	106	57.5 Å²	57.5	57%	0.567	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	32.5	-173.2	-48.6	-83	0	0	0	115.9	K671	K671-N673 PolarHBondContact O-N 3.11Å; K671-N673 VanDerWaalsContact O-N 3.15Å
674	S	62.9	Low	73.7	Confident	43 Å²	43	63.7 Å²	63.7	30%	0.301	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	123	176.8	177.2	0	0	0	0	112.5	K671 E676	K671-S674 PolarHBondContact O-N 2.88Å; S674-E676 PolarHBondContact O-N 2.9Å; S674-E676 WeakPolarHBondContact OG-CB 3.49Å; S674-E676 PolarHBondContact OG-N 2.92Å; S674-E676 VanDerWaalsContact OG-N 3.17Å
675	S	64.6	Low	73	Confident	67 Å²	67	66.5 Å²	66.5	47%	0.469	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-13.6	168.8	53.7	0	0	0	0	113.3	C677	S675-C677 PolarHBondContact O-N 2.68Å
676	E	76.4	Confident	72.5	Confident	121 Å²	121	72.9 Å²	72.9	57%	0.565	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.9	174.5	-169.5	176.5	-141.9	0	0	111.7	S674 Y704	S674-E676 PolarHBondContact O-N 2.9Å; S674-E676 WeakPolarHBondContact OG-CB 3.49Å; S674-E676 PolarHBondContact OG-N 2.92Å; S674-E676 VanDerWaalsContact OG-N 3.17Å; E676-Y704 WeakPolarHBondContact CA-OH 3.47Å
677	C	80.8	Confident	72.2	Confident	7 Å²	7	75.3 Å²	75.3	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.3	170.5	-67.5	0	0	0	0	110.7	C664 Y668 S675 G703 Y704	C664-C677 WeakPolarHBondContact CA-SG 3.09Å; C664-C677 HydrophobicContact CB-CB 3.84Å; C664-C677 WeakPolarHBondContact CB-SG 3.2Å; C664-C677 VanDerWaalsContact SG-CA 3.6Å; C664-C677 WeakPolarHBondContact SG-CB 3.33Å; C664-C677 CovalentContact SG-SG 2.04Å; C664-C677 PolarHBondContact SG-SG 2.88Å; Y668-C677 HydrophobicContact CD1-CB 4.44Å; S675-C677 PolarHBondContact O-N 2.68Å; C677-G703 WeakPolarHBondContact CB-O 3.13Å; C677-Y704 HydrophobicContact CB-CD1 4.37Å; C677-Y704 HydrophobicContact CB-CE1 3.94Å; C677-Y704 HydrophobicContact CB-CE2 4.08Å; C677-Y704 PolarHBondContact N-OH 2.61Å; C677-Y704 VanDerWaalsContact N-OH 3.07Å
678	V	83.8	Confident	72	Confident	28 Å²	28	76.1 Å²	76.1	17%	0.17	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.4	-179.9	-62.7	0	0	0	0	111.3	Y668 S669 K671 Q680	Y668-V678 CarbonylContact C-O 3.58Å; Y668-V678 WeakPolarHBondContact CA-O 3.44Å; Y668-V678 WeakPolarHBondContact CB-O 3.32Å; S669-V678 PolarHBondContact N-O 2.96Å; S669-V678 WeakPolarHBondContact O-CG2 3.32Å; S669-V678 PolarHBondContact O-N 2.82Å; K671-V678 HydrophobicContact CD-CG1 4.26Å; K671-V678 HydrophobicContact CD-CG2 3.89Å; K671-V678 HydrophobicContact CG-CG2 3.85Å; V678-Q680 PolarHBondContact O-N 3.25Å
679	E	81.6	Confident	71.6	Confident	83 Å²	83	78.5 Å²	78.5	39%	0.388	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.5	174.9	-70.9	-176.9	-164.6	0	0	111.1	Y668 Q684 G685	Y668-E679 HydrophobicContact CD1-CG 4.34Å; Y668-E679 HydrophobicContact CE1-CG 3.76Å; Y668-E679 HydrophobicContact CE2-CG 4.19Å; E679-Q684 HydrophobicContact CB-CG 4.27Å; E679-Q684 VanDerWaalsContact OE2-CA 3.28Å; E679-Q684 WeakPolarHBondContact OE2-CA 3.33Å; E679-Q684 VanDerWaalsContact OE2-CG 3.23Å; E679-Q684 WeakPolarHBondContact OE2-CG 3.15Å; E679-G685 PolarHBondContact OE2-N 2.83Å
680	Q	77.8	Confident	71.5	Confident	46 Å²	46	77.3 Å²	77.3	22%	0.215	41%	0.412	C	S	.	.			trans	-66.4	138.5	175.1	-67.1	175.6	11.8	0	0	109.9	G667 Y668 V678 D682 L683 Q684	G667-Q680 WeakPolarHBondContact O-CG 3.27Å; G667-Q680 PolarHBondContact O-N 2.81Å; Y668-Q680 PolarHBondContact O-NE2 2.84Å; V678-Q680 PolarHBondContact O-N 3.25Å; Q680-D682 PolarHBondContact O-N 2.88Å; Q680-D682 VanDerWaalsContact O-N 3.12Å; Q680-L683 CarbonylContact O-C 3.15Å; Q680-L683 PolarHBondContact O-N 2.89Å; Q680-Q684 PolarHBondContact O-N 3.15Å
681	P	79.9	Confident	71.3	Confident	107 Å²	107	75.8 Å²	75.8	70%	0.695	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-38	-176.5	-27.9	35.3	0	0	0	114.2	L683	P681-L683 VanDerWaalsContact C-N 3.29Å; P681-L683 PolarHBondContact O-N 3.13Å
682	D	73.8	Confident	71.6	Confident	128 Å²	128	69.6 Å²	69.6	68%	0.684	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.8	-178.6	-58.2	-61.4	0	0	0	114	Q680 K686	Q680-D682 PolarHBondContact O-N 2.88Å; Q680-D682 VanDerWaalsContact O-N 3.12Å; D682-K686 VanDerWaalsContact O-CE 3.23Å; D682-K686 WeakPolarHBondContact O-CE 3.25Å; D682-K686 PolarHBondContact O-NZ 3.33Å
683	L	72.1	Confident	72.1	Confident	42 Å²	42	69.9 Å²	69.9	22%	0.22	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-1.9	-179.8	-66.1	173.4	0	0	0	113	F666 Q680 P681 G685 K686 L688	F666-L683 HydrophobicContact CE2-CD1 3.8Å; F666-L683 HydrophobicContact CZ-CD1 4.2Å; Q680-L683 CarbonylContact O-C 3.15Å; Q680-L683 PolarHBondContact O-N 2.89Å; P681-L683 VanDerWaalsContact C-N 3.29Å; P681-L683 PolarHBondContact O-N 3.13Å; L683-G685 PolarHBondContact O-N 3.39Å; L683-K686 HydrophobicContact CD2-CD 4.23Å; L683-K686 WeakPolarHBondContact O-CB 3.33Å; L683-K686 PolarHBondContact O-N 2.83Å; L683-L688 HydrophobicContact CD1-CD2 4.49Å
684	Q	73.7	Confident	72.5	Confident	140 Å²	140	65.9 Å²	65.9	65%	0.654	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	124	-176.1	-163	-179	15.4	0	0	112.2	E679 Q680 K686	E679-Q684 HydrophobicContact CB-CG 4.27Å; E679-Q684 VanDerWaalsContact OE2-CA 3.28Å; E679-Q684 WeakPolarHBondContact OE2-CA 3.33Å; E679-Q684 VanDerWaalsContact OE2-CG 3.23Å; E679-Q684 WeakPolarHBondContact OE2-CG 3.15Å; Q680-Q684 PolarHBondContact O-N 3.15Å; Q684-K686 PolarHBondContact O-N 2.7Å
685	G	66.6	Low	72.7	Confident	71 Å²	71	68.1 Å²	68.1	73%	0.732	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	12	-178.4	0	0	0	0	0	116.4	E679 L683	E679-G685 PolarHBondContact OE2-N 2.83Å; L683-G685 PolarHBondContact O-N 3.39Å
686	K	74	Confident	73	Confident	134 Å²	134	66 Å²	66	58%	0.583	36%	0.355	S	S	*	.	S	Bend	trans	-85.8	159.3	171.4	-62.4	-174.9	-174.2	167	0	111	D682 L683 Q684	D682-K686 VanDerWaalsContact O-CE 3.23Å; D682-K686 WeakPolarHBondContact O-CE 3.25Å; D682-K686 PolarHBondContact O-NZ 3.33Å; L683-K686 HydrophobicContact CD2-CD 4.23Å; L683-K686 WeakPolarHBondContact O-CB 3.33Å; L683-K686 PolarHBondContact O-N 2.83Å; Q684-K686 PolarHBondContact O-N 2.7Å
687	V	71.7	Confident	73.1	Confident	84 Å²	84	61.9 Å²	61.9	51%	0.509	34%	0.336	S	S	.	.			trans	-77.5	125.9	169.8	-166.4	0	0	0	0	108.6	E689 Q698	V687-E689 VanDerWaalsContact C-N 3.31Å; V687-E689 HydrophobicContact CB-CG 4.13Å; V687-E689 HydrophobicContact CG1-CG 3.65Å; V687-E689 PolarHBondContact O-N 3.26Å; V687-Q698 HydrophobicContact CG1-CG 3.86Å
688	L	72.6	Confident	73	Confident	20 Å²	20	64 Å²	64	11%	0.105	35%	0.345	C	S	.	.			trans	-82.7	77.5	177.6	-62.1	170.6	0	0	0	109.5	F666 Y668 L683 L699 T701	F666-L688 HydrophobicContact CD1-CB 4.04Å; F666-L688 HydrophobicContact CD1-CD2 3.97Å; F666-L688 HydrophobicContact CD1-CG 4.48Å; F666-L688 HydrophobicContact CE1-CB 4.03Å; F666-L688 HydrophobicContact CE1-CD2 3.76Å; F666-L688 HydrophobicContact CE1-CG 4.49Å; F666-L688 HydrophobicContact CZ-CD2 4.16Å; F666-L688 VanDerWaalsContact O-CD1 3.32Å; F666-L688 WeakPolarHBondContact O-CD1 3.32Å; Y668-L688 HydrophobicContact CE2-CD1 4.23Å; L683-L688 HydrophobicContact CD1-CD2 4.49Å; L688-L699 HydrophobicContact CB-CB 4.02Å; L688-L699 HydrophobicContact CD1-CD2 4.48Å; L688-L699 PolarHBondContact O-N 3.49Å; L688-T701 HydrophobicContact CD1-CG2 4.11Å
689	E	72.7	Confident	72.8	Confident	84 Å²	84	63 Å²	63	39%	0.393	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.8	176	-61.3	-179.3	172.9	0	0	109.8	V687 E696 E697 L725 K727	V687-E689 VanDerWaalsContact C-N 3.31Å; V687-E689 HydrophobicContact CB-CG 4.13Å; V687-E689 HydrophobicContact CG1-CG 3.65Å; V687-E689 PolarHBondContact O-N 3.26Å; E689-E696 HydrophobicContact CB-CG 4.1Å; E689-E697 WeakPolarHBondContact CA-O 3.29Å; E689-L725 HydrophobicContact CG-CD1 4.25Å; E689-K727 IonicContact OE2-NZ 2.63Å
690	F	72.1	Confident	72.8	Confident	16 Å²	16	63.3 Å²	63.3	7%	0.07	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	169.7	176.6	70.8	-71.9	0	0	0	110.5	V372 L692 E696 E697 L699 E722	V372-F690 HydrophobicContact CG2-CD2 3.98Å; V372-F690 HydrophobicContact CG2-CE2 3.88Å; F690-L692 HydrophobicContact CD2-CD1 4.47Å; F690-L692 HydrophobicContact CD2-CG 4.26Å; F690-L692 HydrophobicContact CE2-CD1 3.59Å; F690-L692 HydrophobicContact CE2-CG 3.84Å; F690-L692 HydrophobicContact CZ-CD1 4.22Å; F690-E696 WeakPolarHBondContact O-CA 3.49Å; F690-E697 HydrophobicContact CD1-CB 4.29Å; F690-E697 WeakPolarHBondContact CD1-O 3.22Å; F690-E697 HydrophobicContact CE1-CB 3.74Å; F690-E697 WeakPolarHBondContact CE1-O 3.45Å; F690-E697 HydrophobicContact CE2-CB 4.45Å; F690-E697 HydrophobicContact CZ-CB 3.83Å; F690-E697 PolarHBondContact N-O 3.07Å; F690-E697 PolarHBondContact O-N 3.31Å; F690-L699 HydrophobicContact CD1-CB 4.17Å; F690-L699 HydrophobicContact CE1-CB 3.91Å; F690-E722 HydrophobicContact CE1-CG 4.35Å; F690-E722 HydrophobicContact CZ-CG 3.97Å
691	C	69.2	Low	72.9	Confident	23 Å²	23	62.1 Å²	62.1	16%	0.155	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	107.7	-163.3	-172.3	0	0	0	0	113.1	C729 V730	C691-C729 WeakPolarHBondContact CA-SG 3.46Å; C691-C729 HydrophobicContact CB-CB 3.93Å; C691-C729 WeakPolarHBondContact CB-SG 3.35Å; C691-C729 WeakPolarHBondContact SG-CB 3.18Å; C691-C729 CovalentContact SG-SG 2.03Å; C691-C729 PolarHBondContact SG-SG 3.28Å; C691-V730 WeakPolarHBondContact SG-CG2 3.43Å; C691-V730 PolarHBondContact SG-N 2.93Å; C691-V730 VanDerWaalsContact SG-N 3.43Å
692	L	69.1	Low	72.9	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.4	177.5	-80.1	177.1	0	0	0	110.9	N325 T371 F690 G694 K695 E697	N325-L692 HydrophobicContact CB-CD2 4.09Å; N325-L692 WeakPolarHBondContact OD1-CA 3.28Å; T371-L692 HydrophobicContact CG2-CD2 3.84Å; F690-L692 HydrophobicContact CD2-CD1 4.47Å; F690-L692 HydrophobicContact CD2-CG 4.26Å; F690-L692 HydrophobicContact CE2-CD1 3.59Å; F690-L692 HydrophobicContact CE2-CG 3.84Å; F690-L692 HydrophobicContact CZ-CD1 4.22Å; L692-G694 PolarHBondContact O-N 3.06Å; L692-G694 VanDerWaalsContact O-N 3.07Å; L692-K695 PolarHBondContact N-O 3.34Å; L692-K695 WeakPolarHBondContact O-CA 3.16Å; L692-K695 WeakPolarHBondContact O-CB 3.3Å; L692-K695 PolarHBondContact O-N 3.38Å; L692-K695 VanDerWaalsContact O-O 3.04Å; L692-E697 HydrophobicContact CB-CG 4.47Å
693	H	65.1	Low	73.3	Confident	113 Å²	113	54.2 Å²	54.2	52%	0.523	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	33.8	173.4	-48.2	111.2	0	0	0	114.2	N325 K695	N325-H693 PolarHBondContact ND2-NE2 2.89Å; N325-H693 VanDerWaalsContact ND2-NE2 3.11Å; N325-H693 PolarHBondContact OD1-CD2 3.4Å; N325-H693 PolarHBondContact OD1-N 3.16Å; N325-H693 PolarHBondContact OD1-NE2 3.39Å; H693-K695 VanDerWaalsContact C-N 3.3Å; H693-K695 PolarHBondContact O-N 3.22Å
694	G	63.4	Low	73.8	Confident	22 Å²	22	53.1 Å²	53.1	23%	0.227	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	10.5	-176	0	0	0	0	0	115	L692 R728 C729	L692-G694 PolarHBondContact O-N 3.06Å; L692-G694 VanDerWaalsContact O-N 3.07Å; G694-R728 VanDerWaalsContact O-CA 3.28Å; G694-R728 WeakPolarHBondContact O-CA 3.4Å; G694-C729 CarbonylContact C-O 3.58Å; G694-C729 WeakPolarHBondContact CA-O 3.33Å; G694-C729 PolarHBondContact O-N 2.85Å
695	K	65.4	Low	74.3	Confident	91 Å²	91	47.1 Å²	47.1	40%	0.396	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.1	171.9	-71.1	178	164.6	-167.1	0	111.2	L692 H693 D724 C729	L692-K695 PolarHBondContact N-O 3.34Å; L692-K695 WeakPolarHBondContact O-CA 3.16Å; L692-K695 WeakPolarHBondContact O-CB 3.3Å; L692-K695 PolarHBondContact O-N 3.38Å; L692-K695 VanDerWaalsContact O-O 3.04Å; H693-K695 VanDerWaalsContact C-N 3.3Å; H693-K695 PolarHBondContact O-N 3.22Å; K695-D724 IonicContact NZ-OD1 2.69Å; K695-D724 IonicContact NZ-OD2 3.3Å; K695-D724 PolarHBondContact NZ-OD2 3.42Å; K695-C729 PolarHBondContact O-SG 3.16Å
696	E	72.1	Confident	75.2	Confident	23 Å²	23	47 Å²	47	11%	0.107	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.7	175.2	-161.3	177.2	-98.7	0	0	109.4	E689 F690 L725 K727 C729	E689-E696 HydrophobicContact CB-CG 4.1Å; F690-E696 WeakPolarHBondContact O-CA 3.49Å; E696-L725 HydrophobicContact CG-CD1 4.24Å; E696-L725 WeakPolarHBondContact O-CB 3.25Å; E696-L725 PolarHBondContact O-N 3.31Å; E696-K727 HydrophobicContact CB-CB 4.2Å; E696-K727 HydrophobicContact CB-CG 4.39Å; E696-K727 WeakPolarHBondContact CB-O 3.25Å; E696-K727 PolarHBondContact N-O 2.77Å; E696-K727 IonicContact OE1-NZ 3.02Å; E696-K727 PolarHBondContact OE1-NZ 3.07Å; E696-K727 WeakPolarHBondContact OE2-CD 3.39Å; E696-K727 WeakPolarHBondContact OE2-CE 3.32Å; E696-K727 VanDerWaalsContact OE2-CG 3.31Å; E696-K727 WeakPolarHBondContact OE2-CG 3.1Å; E696-K727 IonicContact OE2-NZ 3.65Å; E696-K727 PolarHBondContact OE2-NZ 3.21Å; E696-C729 HydrophobicContact CB-CB 4.16Å; E696-C729 PolarHBondContact N-SG 3.03Å
697	E	77.9	Confident	75.7	Confident	33 Å²	33	41 Å²	41	15%	0.154	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131	177	-61	-165.1	-168.4	0	0	109.2	E689 F690 L692 I723	E689-E697 WeakPolarHBondContact CA-O 3.29Å; F690-E697 HydrophobicContact CD1-CB 4.29Å; F690-E697 WeakPolarHBondContact CD1-O 3.22Å; F690-E697 HydrophobicContact CE1-CB 3.74Å; F690-E697 WeakPolarHBondContact CE1-O 3.45Å; F690-E697 HydrophobicContact CE2-CB 4.45Å; F690-E697 HydrophobicContact CZ-CB 3.83Å; F690-E697 PolarHBondContact N-O 3.07Å; F690-E697 PolarHBondContact O-N 3.31Å; L692-E697 HydrophobicContact CB-CG 4.47Å; E697-I723 CarbonylContact C-O 3.58Å; E697-I723 WeakPolarHBondContact CA-O 3.29Å
698	Q	79.4	Confident	76.2	Confident	51 Å²	51	37.4 Å²	37.4	24%	0.238	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.5	170.3	179.6	-176.9	12.2	0	0	109	V687 Q700 I723 L725	V687-Q698 HydrophobicContact CG1-CG 3.86Å; Q698-Q700 HydrophobicContact CG-CG 4.45Å; Q698-Q700 PolarHBondContact O-N 2.88Å; Q698-I723 HydrophobicContact CB-CB 4.41Å; Q698-I723 PolarHBondContact N-O 2.92Å; Q698-I723 PolarHBondContact O-N 3.28Å; Q698-L725 HydrophobicContact CB-CD1 4.13Å; Q698-L725 HydrophobicContact CB-CD2 3.84Å; Q698-L725 HydrophobicContact CB-CG 4.02Å
699	L	79.1	Confident	76.7	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	117.1	168.3	-178.1	59.6	0	0	0	109.9	F666 L688 F690 T701 R720 E722	F666-L699 HydrophobicContact CB-CD2 3.83Å; F666-L699 HydrophobicContact CD1-CD2 4.28Å; L688-L699 HydrophobicContact CB-CB 4.02Å; L688-L699 HydrophobicContact CD1-CD2 4.48Å; L688-L699 PolarHBondContact O-N 3.49Å; F690-L699 HydrophobicContact CD1-CB 4.17Å; F690-L699 HydrophobicContact CE1-CB 3.91Å; L699-T701 HydrophobicContact CD2-CG2 3.88Å; L699-T701 HydrophobicContact CG-CG2 3.85Å; L699-R720 HydrophobicContact CD1-CG 4.12Å; L699-E722 HydrophobicContact CD1-CG 4.05Å
700	Q	81	Confident	77.3	Confident	91 Å²	91	34.1 Å²	34.1	43%	0.425	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	98.3	164	-69.7	-168	-1.1	0	0	108.5	Q698 R720 K721 I723	Q698-Q700 HydrophobicContact CG-CG 4.45Å; Q698-Q700 PolarHBondContact O-N 2.88Å; Q700-R720 CarbonylContact O-C 3.57Å; Q700-R720 WeakPolarHBondContact O-CA 3.19Å; Q700-K721 HydrophobicContact CB-CB 4.35Å; Q700-K721 PolarHBondContact N-O 2.77Å; Q700-K721 PolarHBondContact O-N 2.84Å; Q700-I723 HydrophobicContact CG-CD1 3.93Å
701	T	81.1	Confident	78.1	Confident	20 Å²	20	38.8 Å²	38.8	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.4	-179.3	-171.3	0	0	0	0	110.1	D665 Y668 L688 L699 G703 Y704	D665-T701 HydrophobicContact CB-CG2 4.04Å; D665-T701 WeakPolarHBondContact OD2-CB 3.23Å; D665-T701 PolarHBondContact OD2-OG1 2.61Å; Y668-T701 HydrophobicContact CD2-CG2 4.23Å; Y668-T701 HydrophobicContact CE2-CG2 3.78Å; Y668-T701 PolarHBondContact OH-O 2.75Å; L688-T701 HydrophobicContact CD1-CG2 4.11Å; L699-T701 HydrophobicContact CD2-CG2 3.88Å; L699-T701 HydrophobicContact CG-CG2 3.85Å; T701-G703 PolarHBondContact OG1-N 2.84Å; T701-G703 VanDerWaalsContact OG1-N 3.12Å; T701-Y704 PolarHBondContact OG1-N 3.36Å
702	N	80	Confident	79.1	Confident	70 Å²	70	38 Å²	38	37%	0.374	19%	0.189	S	C	.	.	S	Bend	trans	-88.7	14.1	165.2	73.6	-52.7	0	0	0	112.5	Y704 P718 Q719	N702-Y704 WeakPolarHBondContact O-CD2 3.26Å; N702-P718 VanDerWaalsContact OD1-CB 3.26Å; N702-P718 WeakPolarHBondContact OD1-CB 3.45Å; N702-Q719 PolarHBondContact N-O 3.07Å; N702-Q719 PolarHBondContact OD1-N 3.2Å; N702-Q719 PolarHBondContact OD1-O 2.9Å
703	G	81.5	Confident	80	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	106.9	2.3	173.2	0	0	0	0	0	116	C664 D665 Y668 C677 T701	C664-G703 WeakPolarHBondContact CA-O 3.07Å; D665-G703 PolarHBondContact N-O 3.38Å; Y668-G703 VanDerWaalsContact CE1-CA 3.42Å; C677-G703 WeakPolarHBondContact CB-O 3.13Å; T701-G703 PolarHBondContact OG1-N 2.84Å; T701-G703 VanDerWaalsContact OG1-N 3.12Å
704	Y	82.9	Confident	81.1	Confident	19 Å²	19	41.1 Å²	41.1	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.1	-170	-64.2	-94.7	0	0	0	111.8	L659 F662 L663 E676 C677 T701 N702 P718	L659-Y704 HydrophobicContact CD2-CD1 4.18Å; L659-Y704 HydrophobicContact CD2-CE1 4.06Å; F662-Y704 HydrophobicContact CB-CD1 4.04Å; L663-Y704 WeakPolarHBondContact O-CA 3.44Å; E676-Y704 WeakPolarHBondContact CA-OH 3.47Å; C677-Y704 HydrophobicContact CB-CD1 4.37Å; C677-Y704 HydrophobicContact CB-CE1 3.94Å; C677-Y704 HydrophobicContact CB-CE2 4.08Å; C677-Y704 PolarHBondContact N-OH 2.61Å; C677-Y704 VanDerWaalsContact N-OH 3.07Å; T701-Y704 PolarHBondContact OG1-N 3.36Å; N702-Y704 WeakPolarHBondContact O-CD2 3.26Å; Y704-P718 HydrophobicContact CG-CB 4.34Å; Y704-P718 HydrophobicContact CG-CG 4.17Å
705	R	84.3	Confident	82.2	Confident	14 Å²	14	42.8 Å²	42.8	5%	0.053	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.4	172.6	-179.8	178.6	67.4	79.6	-12.7	109.1	S366 F662 L663 D665 I707	S366-R705 VanDerWaalsContact C-NH2 3.27Å; S366-R705 PolarHBondContact O-NH2 3.27Å; F662-R705 CarbonylContact C-O 3.53Å; F662-R705 WeakPolarHBondContact CA-O 3.41Å; L663-R705 HydrophobicContact CD1-CB 3.92Å; L663-R705 HydrophobicContact CD1-CG 4.49Å; L663-R705 PolarHBondContact N-O 3.09Å; L663-R705 PolarHBondContact O-N 2.92Å; D665-R705 HydrophobicContact CB-CB 3.99Å; R705-I707 PolarHBondContact O-N 2.78Å
706	K	84.2	Confident	83.1	Confident	68 Å²	68	43.6 Å²	43.6	30%	0.296	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	137.3	178.3	-170.4	172.2	179.6	-179.8	0	109.9	F662 D710 C712	F662-K706 HydrophobicContact CD1-CB 4Å; F662-K706 VanDerWaalsContact CD1-N 3.31Å; F662-K706 HydrophobicContact CE1-CB 3.74Å; F662-K706 HydrophobicContact CE1-CG 4.35Å; F662-K706 HydrophobicContact CZ-CB 4.37Å; K706-D710 VanDerWaalsContact CE-O 3.23Å; K706-D710 WeakPolarHBondContact CE-O 3.38Å; K706-D710 WeakPolarHBondContact CE-OD1 3.17Å; K706-D710 HydrophobicContact CG-CB 4.22Å; K706-D710 PolarHBondContact NZ-O 3.01Å; K706-D710 IonicContact NZ-OD1 3.83Å; K706-D710 PolarHBondContact NZ-OD1 2.99Å; K706-C712 WeakPolarHBondContact CE-SG 3.47Å; K706-C712 VanDerWaalsContact NZ-N 3.16Å; K706-C712 PolarHBondContact NZ-O 3.43Å; K706-C712 PolarHBondContact NZ-SG 2.8Å
707	I	84.1	Confident	83.7	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.041	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65.5	137.6	-178.5	-56.8	167.7	0	0	0	109.3	L625 D660 D661 L663 R705 D710	L625-I707 HydrophobicContact CD2-CB 3.96Å; L625-I707 HydrophobicContact CD2-CD1 3.94Å; L625-I707 HydrophobicContact CD2-CG2 3.46Å; L625-I707 VanDerWaalsContact CD2-CG2 3.46Å; D660-I707 WeakPolarHBondContact O-CD1 3.11Å; D661-I707 PolarHBondContact O-N 2.74Å; D661-I707 VanDerWaalsContact O-N 3.17Å; L663-I707 HydrophobicContact CB-CG1 4.07Å; L663-I707 HydrophobicContact CD2-CG1 4.18Å; L663-I707 HydrophobicContact CD2-CG2 4.37Å; L663-I707 HydrophobicContact CG-CG1 3.99Å; R705-I707 PolarHBondContact O-N 2.78Å; I707-D710 HydrophobicContact CB-CB 4.28Å; I707-D710 WeakPolarHBondContact O-CB 3.48Å; I707-D710 PolarHBondContact O-N 2.97Å
708	P	83.9	Confident	83.9	Confident	9 Å²	9	48 Å²	48	6%	0.058	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	140.6	177.4	-20.9	32.9	0	0	0	112.3	D346 M347 S366 Q421 D710	D346-P708 HydrophobicContact CB-CB 4.41Å; D346-P708 WeakPolarHBondContact O-CB 3.35Å; M347-P708 HydrophobicContact CB-CB 3.66Å; M347-P708 HydrophobicContact CB-CG 3.81Å; M347-P708 HydrophobicContact CG-CB 3.89Å; M347-P708 HydrophobicContact CG-CG 4.25Å; M347-P708 HydrophobicContact SD-CB 4.09Å; M347-P708 HydrophobicContact SD-CG 4.02Å; S366-P708 WeakPolarHBondContact O-CG 3.4Å; Q421-P708 PolarHBondContact NE2-O 3.05Å; P708-D710 PolarHBondContact O-N 3.26Å
709	G	81.3	Confident	84	Confident	19 Å²	19	52.4 Å²	52.4	20%	0.196	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-5.7	-174.5	0	0	0	0	0	115.1	K711	G709-K711 WeakPolarHBondContact O-CE 3.15Å
710	D	85.9	Confident	84.2	Confident	15 Å²	15	55.5 Å²	55.5	8%	0.08	29%	0.294	C	S	.	.			trans	-72.8	133.6	178.8	-177.5	-54.8	0	0	0	112.8	L625 G626 D661 K706 I707 P708 C712	L625-D710 WeakPolarHBondContact CA-OD2 3.38Å; L625-D710 HydrophobicContact CB-CB 4.26Å; L625-D710 WeakPolarHBondContact O-CA 3.45Å; G626-D710 WeakPolarHBondContact CA-OD1 3.35Å; G626-D710 PolarHBondContact N-OD2 3.18Å; G626-D710 VanDerWaalsContact N-OD2 3.13Å; D661-D710 VanDerWaalsContact CB-OD2 3.3Å; D661-D710 WeakPolarHBondContact CB-OD2 3.44Å; K706-D710 VanDerWaalsContact CE-O 3.23Å; K706-D710 WeakPolarHBondContact CE-O 3.38Å; K706-D710 WeakPolarHBondContact CE-OD1 3.17Å; K706-D710 HydrophobicContact CG-CB 4.22Å; K706-D710 PolarHBondContact NZ-O 3.01Å; K706-D710 IonicContact NZ-OD1 3.83Å; K706-D710 PolarHBondContact NZ-OD1 2.99Å; I707-D710 HydrophobicContact CB-CB 4.28Å; I707-D710 WeakPolarHBondContact O-CB 3.48Å; I707-D710 PolarHBondContact O-N 2.97Å; P708-D710 PolarHBondContact O-N 3.26Å; D710-C712 WeakPolarHBondContact OD1-CB 3.44Å; D710-C712 PolarHBondContact OD1-N 2.8Å; D710-C712 PolarHBondContact OD1-SG 2.77Å
711	K	88.8	Confident	84.1	Confident	114 Å²	114	56.9 Å²	56.9	50%	0.496	30%	0.298	S	S	.	.			trans	-116.4	21.5	-171.9	-64.8	160.5	-162.1	158.6	0	114.5	L625 G626 Y627 G709	L625-K711 PolarHBondContact O-N 3.41Å; G626-K711 CarbonylContact O-C 3.58Å; Y627-K711 HydrophobicContact CD1-CB 3.91Å; Y627-K711 HydrophobicContact CD1-CD 4.11Å; Y627-K711 HydrophobicContact CD1-CG 4.47Å; Y627-K711 HydrophobicContact CE1-CB 4.37Å; Y627-K711 HydrophobicContact CE1-CD 3.75Å; Y627-K711 HydrophobicContact CE1-CG 4.44Å; G709-K711 WeakPolarHBondContact O-CE 3.15Å
712	C	90	Very high	84.1	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.054	31%	0.306	C	S	.	.			trans	-60.7	143.6	176.3	79.1	0	0	0	0	112.1	G626 C655 C657 K706 D710	G626-C712 VanDerWaalsContact CA-CB 3.46Å; G626-C712 WeakPolarHBondContact O-CA 3.46Å; G626-C712 PolarHBondContact O-N 3.38Å; C655-C712 WeakPolarHBondContact O-CA 3.25Å; C657-C712 VanDerWaalsContact CA-SG 3.55Å; C657-C712 HydrophobicContact CB-CB 3.88Å; C657-C712 WeakPolarHBondContact CB-SG 3.34Å; C657-C712 WeakPolarHBondContact SG-CB 3.41Å; C657-C712 PolarHBondContact SG-O 3.24Å; C657-C712 CovalentContact SG-SG 2.03Å; C657-C712 PolarHBondContact SG-SG 3.38Å; K706-C712 WeakPolarHBondContact CE-SG 3.47Å; K706-C712 VanDerWaalsContact NZ-N 3.16Å; K706-C712 PolarHBondContact NZ-O 3.43Å; K706-C712 PolarHBondContact NZ-SG 2.8Å; D710-C712 WeakPolarHBondContact OD1-CB 3.44Å; D710-C712 PolarHBondContact OD1-N 2.8Å; D710-C712 PolarHBondContact OD1-SG 2.77Å
713	E	89.4	Confident	83.9	Confident	137 Å²	137	58.4 Å²	58.4	64%	0.64	30%	0.303	S	S	*	.	B	Isolated β-bridge	trans	-119.7	132.9	-178.5	-64.1	-168.5	166.2	0	0	112.1	P654 C655 A656 G715	P654-E713 HydrophobicContact CB-CG 4.32Å; C655-E713 PolarHBondContact O-N 3.2Å; A656-E713 WeakPolarHBondContact CA-O 3.48Å; E713-G715 PolarHBondContact O-N 3.08Å
714	G	87.7	Confident	83.5	Confident	44 Å²	44	61.4 Å²	61.4	45%	0.454	32%	0.319	S	S	.	.	S	Bend	trans	66	-131.1	178.2	0	0	0	0	0	113.2	C657 M717	C657-G714 VanDerWaalsContact CB-O 3.27Å; C657-G714 WeakPolarHBondContact CB-O 3.04Å; C657-G714 PolarHBondContact SG-O 3.49Å; G714-M717 WeakPolarHBondContact O-CE 3.41Å
715	G	87.2	Confident	83	Confident	57 Å²	57	63.4 Å²	63.4	59%	0.588	33%	0.331	S	S	*	.	S	Bend	trans	62.9	-146.8	176.5	0	0	0	0	0	115	C657 E713	C657-G715 CarbonylContact O-C 3.57Å; C657-G715 WeakPolarHBondContact O-CA 3.47Å; E713-G715 PolarHBondContact O-N 3.08Å
716	Q	84.1	Confident	82.2	Confident	108 Å²	108	66.9 Å²	66.9	51%	0.505	36%	0.357	S	S	.	.			trans	-87.7	121.4	176.2	178.9	164.7	-20.6	0	0	110.3	C657	C657-Q716 PolarHBondContact O-N 3.05Å
717	M	83	Confident	81.3	Confident	126 Å²	126	68.8 Å²	68.8	62%	0.621	37%	0.366	S	S	*	.			trans	-118.5	105.7	176.3	-71.1	-178.6	171.6	0	0	110.3	G714	G714-M717 WeakPolarHBondContact O-CE 3.41Å
718	P	83.4	Confident	80.2	Confident	22 Å²	22	79.3 Å²	79.3	14%	0.143	41%	0.405	C	S	.	.			trans	-53.3	150.1	169.7	-26.9	36.3	0	0	0	113.1	L659 F662 N702 Y704 R720	L659-P718 HydrophobicContact CD2-CG 4.03Å; F662-P718 HydrophobicContact CD1-CG 3.92Å; F662-P718 HydrophobicContact CD2-CG 4.35Å; F662-P718 HydrophobicContact CE1-CG 4.02Å; F662-P718 HydrophobicContact CE2-CG 4.42Å; F662-P718 HydrophobicContact CG-CG 4.14Å; F662-P718 VanDerWaalsContact CZ-CD 3.44Å; F662-P718 HydrophobicContact CZ-CG 4.29Å; N702-P718 VanDerWaalsContact OD1-CB 3.26Å; N702-P718 WeakPolarHBondContact OD1-CB 3.45Å; Y704-P718 HydrophobicContact CG-CB 4.34Å; Y704-P718 HydrophobicContact CG-CG 4.17Å; P718-R720 PolarHBondContact O-N 3.35Å
719	Q	80.3	Confident	79.3	Confident	145 Å²	145	79.9 Å²	79.9	68%	0.678	41%	0.409	S	S	*	.			trans	-85.9	105.2	179.7	-71.1	-161.9	25.2	0	0	111.5	N702	N702-Q719 PolarHBondContact N-O 3.07Å; N702-Q719 PolarHBondContact OD1-N 3.2Å; N702-Q719 PolarHBondContact OD1-O 2.9Å
720	R	83.3	Confident	78.1	Confident	71 Å²	71	81.8 Å²	81.8	27%	0.268	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.4	172.7	-168.4	179.9	-172.2	-80.4	-10.6	110.5	D665 L699 Q700 P718 E722	D665-R720 VanDerWaalsContact CG-NE 3.33Å; D665-R720 IonicContact OD1-CZ 3.56Å; D665-R720 IonicContact OD1-NE 3.7Å; D665-R720 PolarHBondContact OD1-NE 2.8Å; D665-R720 IonicContact OD1-NH2 2.66Å; D665-R720 PolarHBondContact OD1-NH2 3.45Å; D665-R720 VanDerWaalsContact OD2-CD 3.32Å; D665-R720 WeakPolarHBondContact OD2-CD 3.46Å; D665-R720 IonicContact OD2-CZ 3.57Å; D665-R720 IonicContact OD2-NE 3.63Å; D665-R720 PolarHBondContact OD2-NE 2.87Å; D665-R720 IonicContact OD2-NH2 2.58Å; L699-R720 HydrophobicContact CD1-CG 4.12Å; Q700-R720 CarbonylContact O-C 3.57Å; Q700-R720 WeakPolarHBondContact O-CA 3.19Å; P718-R720 PolarHBondContact O-N 3.35Å; R720-E722 IonicContact CZ-OE1 2.73Å; R720-E722 VanDerWaalsContact CZ-OE1 3.24Å; R720-E722 VanDerWaalsContact NH1-CD 3.27Å; R720-E722 IonicContact NH1-OE1 2.68Å; R720-E722 PolarHBondContact NH1-OE1 2.82Å; R720-E722 IonicContact NH1-OE2 2.96Å; R720-E722 IonicContact NH2-OE1 3.74Å; R720-E722 PolarHBondContact NH2-OE1 2.86Å
721	K	80.6	Confident	76.3	Confident	121 Å²	121	84.8 Å²	84.8	53%	0.526	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139	175.4	-66.6	175.6	-174.7	163.2	0	109.7	Q700	Q700-K721 HydrophobicContact CB-CB 4.35Å; Q700-K721 PolarHBondContact N-O 2.77Å; Q700-K721 PolarHBondContact O-N 2.84Å
722	E	79.7	Confident	74.1	Confident	60 Å²	60	86.1 Å²	86.1	28%	0.28	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.6	170.2	-67.2	171.6	162.2	0	0	107.5	R369 F690 L699 R720	R369-E722 IonicContact CZ-OE1 3.72Å; R369-E722 IonicContact CZ-OE2 2.65Å; R369-E722 IonicContact NH1-OE1 3.64Å; R369-E722 PolarHBondContact NH1-OE1 2.83Å; R369-E722 IonicContact NH1-OE2 3.1Å; R369-E722 PolarHBondContact NH1-OE2 3.19Å; R369-E722 IonicContact NH2-OE1 3.61Å; R369-E722 PolarHBondContact NH2-OE1 3.37Å; R369-E722 IonicContact NH2-OE2 2.64Å; F690-E722 HydrophobicContact CE1-CG 4.35Å; F690-E722 HydrophobicContact CZ-CG 3.97Å; L699-E722 HydrophobicContact CD1-CG 4.05Å; R720-E722 IonicContact CZ-OE1 2.73Å; R720-E722 VanDerWaalsContact CZ-OE1 3.24Å; R720-E722 VanDerWaalsContact NH1-CD 3.27Å; R720-E722 IonicContact NH1-OE1 2.68Å; R720-E722 PolarHBondContact NH1-OE1 2.82Å; R720-E722 IonicContact NH1-OE2 2.96Å; R720-E722 IonicContact NH2-OE1 3.74Å; R720-E722 PolarHBondContact NH2-OE1 2.86Å
723	I	76.3	Confident	72.2	Confident	61 Å²	61	87.3 Å²	87.3	31%	0.313	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	106.5	-174.6	-58.1	-178	0	0	0	108.7	E697 Q698 Q700 L725	E697-I723 CarbonylContact C-O 3.58Å; E697-I723 WeakPolarHBondContact CA-O 3.29Å; Q698-I723 HydrophobicContact CB-CB 4.41Å; Q698-I723 PolarHBondContact N-O 2.92Å; Q698-I723 PolarHBondContact O-N 3.28Å; Q700-I723 HydrophobicContact CG-CD1 3.93Å; I723-L725 HydrophobicContact CG2-CD2 4.47Å; I723-L725 PolarHBondContact O-N 2.88Å
724	D	72.8	Confident	70.2	Confident	64 Å²	64	82.1 Å²	82.1	34%	0.342	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	105.7	167.8	176.4	0.1	0	0	0	110.1	K695 S726	K695-D724 IonicContact NZ-OD1 2.69Å; K695-D724 IonicContact NZ-OD2 3.3Å; K695-D724 PolarHBondContact NZ-OD2 3.42Å; D724-S726 PolarHBondContact O-N 3.16Å; D724-S726 WeakPolarHBondContact OD1-CA 3.43Å; D724-S726 PolarHBondContact OD1-N 3.37Å; D724-S726 PolarHBondContact OD1-OG 3.44Å; D724-S726 VanDerWaalsContact OD1-OG 3.08Å
725	L	73.2	Confident	68	Low	61 Å²	61	83.5 Å²	83.5	32%	0.319	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-10.2	176.8	-61.5	-179.2	0	0	0	111.9	E689 E696 Q698 I723 K727	E689-L725 HydrophobicContact CG-CD1 4.25Å; E696-L725 HydrophobicContact CG-CD1 4.24Å; E696-L725 WeakPolarHBondContact O-CB 3.25Å; E696-L725 PolarHBondContact O-N 3.31Å; Q698-L725 HydrophobicContact CB-CD1 4.13Å; Q698-L725 HydrophobicContact CB-CD2 3.84Å; Q698-L725 HydrophobicContact CB-CG 4.02Å; I723-L725 HydrophobicContact CG2-CD2 4.47Å; I723-L725 PolarHBondContact O-N 2.88Å; L725-K727 HydrophobicContact CB-CB 4.32Å; L725-K727 PolarHBondContact O-N 3.47Å
726	S	67.2	Low	65.7	Low	87 Å²	87	85.2 Å²	85.2	61%	0.608	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.3	8.6	-172.6	-68.6	0	0	0	0	115.1	D724	D724-S726 PolarHBondContact O-N 3.16Å; D724-S726 WeakPolarHBondContact OD1-CA 3.43Å; D724-S726 PolarHBondContact OD1-N 3.37Å; D724-S726 PolarHBondContact OD1-OG 3.44Å; D724-S726 VanDerWaalsContact OD1-OG 3.08Å
727	K	65.5	Low	63.1	Low	108 Å²	108	87.7 Å²	87.7	47%	0.47	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	135	164.2	174.7	155.1	161.4	-94	0	108	E689 E696 L725	E689-K727 IonicContact OE2-NZ 2.63Å; E696-K727 HydrophobicContact CB-CB 4.2Å; E696-K727 HydrophobicContact CB-CG 4.39Å; E696-K727 WeakPolarHBondContact CB-O 3.25Å; E696-K727 PolarHBondContact N-O 2.77Å; E696-K727 IonicContact OE1-NZ 3.02Å; E696-K727 PolarHBondContact OE1-NZ 3.07Å; E696-K727 WeakPolarHBondContact OE2-CD 3.39Å; E696-K727 WeakPolarHBondContact OE2-CE 3.32Å; E696-K727 VanDerWaalsContact OE2-CG 3.31Å; E696-K727 WeakPolarHBondContact OE2-CG 3.1Å; E696-K727 IonicContact OE2-NZ 3.65Å; E696-K727 PolarHBondContact OE2-NZ 3.21Å; L725-K727 HydrophobicContact CB-CB 4.32Å; L725-K727 PolarHBondContact O-N 3.47Å
728	R	60.6	Low	60.7	Low	228 Å²	228	89.8 Å²	89.8	86%	0.86	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.4	176.1	-73.2	-171.5	179.1	-165.6	-1.9	110.5	G694	G694-R728 VanDerWaalsContact O-CA 3.28Å; G694-R728 WeakPolarHBondContact O-CA 3.4Å
729	C	64.8	Low	58.1	Low	22 Å²	22	97 Å²	97	15%	0.149	49%	0.487	C	S	.	.			trans	-122.4	-177.1	168.7	66.6	0	0	0	0	109.3	C691 G694 K695 E696	C691-C729 WeakPolarHBondContact CA-SG 3.46Å; C691-C729 HydrophobicContact CB-CB 3.93Å; C691-C729 WeakPolarHBondContact CB-SG 3.35Å; C691-C729 WeakPolarHBondContact SG-CB 3.18Å; C691-C729 CovalentContact SG-SG 2.03Å; C691-C729 PolarHBondContact SG-SG 3.28Å; G694-C729 CarbonylContact C-O 3.58Å; G694-C729 WeakPolarHBondContact CA-O 3.33Å; G694-C729 PolarHBondContact O-N 2.85Å; K695-C729 PolarHBondContact O-SG 3.16Å; E696-C729 HydrophobicContact CB-CB 4.16Å; E696-C729 PolarHBondContact N-SG 3.03Å
730	V	57.3	Low	55.8	Low	59 Å²	59	95.6 Å²	95.6	36%	0.358	49%	0.489	S	S	.	.			trans	62.8	120	-157.6	-168.1	0	0	0	0	111.9	C691	C691-V730 WeakPolarHBondContact SG-CG2 3.43Å; C691-V730 PolarHBondContact SG-N 2.93Å; C691-V730 VanDerWaalsContact SG-N 3.43Å
731	S	47.4	Very low	53.3	Low	78 Å²	78	95.1 Å²	95.1	55%	0.545	51%	0.506	S	S	.	.			trans	-82.8	122.6	160.9	52.2	0	0	0	0	109.4	L733	S731-L733 WeakPolarHBondContact O-CB 3.29Å; S731-L733 VanDerWaalsContact O-CG 3.24Å; S731-L733 WeakPolarHBondContact O-CG 3.37Å; S731-L733 PolarHBondContact O-N 3.28Å
732	D	42.6	Very low	51	Low	142 Å²	142	92.8 Å²	92.8	76%	0.759	52%	0.516	S	S	*	.	S	Bend	trans	26.9	17.5	150.6	-52.1	-26.2	0	0	0	122.2
733	L	49.8	Very low	48.8	Very low	32 Å²	32	98.5 Å²	98.5	17%	0.168	54%	0.542	C	S	.	.	S	Bend	trans	-108	-27.2	-168.1	-64.4	178.8	0	0	0	113.9	K289 S731	K289-L733 HydrophobicContact CD-CD2 3.89Å; S731-L733 WeakPolarHBondContact O-CB 3.29Å; S731-L733 VanDerWaalsContact O-CG 3.24Å; S731-L733 WeakPolarHBondContact O-CG 3.37Å; S731-L733 PolarHBondContact O-N 3.28Å
734	V	48.3	Very low	47.1	Very low	28 Å²	28	100.1 Å²	100.1	17%	0.17	56%	0.559	C	S	.	*	S	Bend	trans	-123.3	50.3	176.9	-162.4	0	0	0	0	110.6	A287 V304 W324	A287-V734 HydrophobicContact CB-CG1 4.05Å; V304-V734 HydrophobicContact CG1-CG2 4.37Å; W324-V734 HydrophobicContact CB-CG1 4.13Å; W324-V734 HydrophobicContact CG-CG1 3.85Å
735	S	40.7	Very low	46	Very low	74 Å²	74	102 Å²	102	52%	0.517	58%	0.577	S	S	.	*			trans	-95.8	130.7	168.4	-69.9	0	0	0	0	109.7	E737	S735-E737 PolarHBondContact O-N 3.15Å
736	P	38.3	Very low	44.8	Very low	92 Å²	92	106.2 Å²	106.2	60%	0.597	59%	0.593	S	S	*	*			trans	-71	95.5	166.8	29.1	-32.2	0	0	0	108.8	F738	P736-F738 VanDerWaalsContact C-N 3.27Å; P736-F738 PolarHBondContact O-N 2.93Å
737	E	31	Very low	43.9	Very low	161 Å²	161	105.8 Å²	105.8	75%	0.752	59%	0.59	S	S	*	*			trans	-65.6	86.4	172.9	-73.2	-163.4	158.4	0	0	110.6	S735 Q739	S735-E737 PolarHBondContact O-N 3.15Å; E737-Q739 PolarHBondContact O-N 3.29Å
738	F	31.6	Very low	43.5	Very low	169 Å²	169	105.2 Å²	105.2	74%	0.741	60%	0.596	S	S	*	*			trans	-60	99.2	162.2	-94.9	-89.6	0	0	0	108.6	P736 T740	P736-F738 VanDerWaalsContact C-N 3.27Å; P736-F738 PolarHBondContact O-N 2.93Å; F738-T740 PolarHBondContact O-N 3.35Å
739	Q	29	Very low	43.3	Very low	173 Å²	173	97.4 Å²	97.4	81%	0.808	58%	0.579	S	S	*	*			trans	-72.5	50.7	172.4	-66.8	-167.4	-1.3	0	0	112.1	E737 G741	E737-Q739 PolarHBondContact O-N 3.29Å; Q739-G741 PolarHBondContact O-N 3.28Å
740	T	31.8	Very low	43.2	Very low	117 Å²	117	101.6 Å²	101.6	72%	0.718	60%	0.599	S	S	*	*			trans	-69.4	80.1	154	51.1	0	0	0	0	107.7	F738 G742	F738-T740 PolarHBondContact O-N 3.35Å; T740-G742 PolarHBondContact O-N 3.16Å
741	G	30.5	Very low	43.7	Very low	60 Å²	60	103.1 Å²	103.1	62%	0.619	61%	0.609	S	S	*	*			trans	-65.1	74.2	-178.6	0	0	0	0	0	112.6	Q739 H743	Q739-G741 PolarHBondContact O-N 3.28Å; G741-H743 VanDerWaalsContact C-N 3.34Å; G741-H743 PolarHBondContact O-N 3.37Å
742	G	31.8	Very low	44.8	Very low	72 Å²	72	104.5 Å²	104.5	74%	0.742	61%	0.609	S	S	*	*			trans	-64.8	91.5	172.5	0	0	0	0	0	110	T740 S744	T740-G742 PolarHBondContact O-N 3.16Å; G742-S744 PolarHBondContact O-N 3.41Å
743	H	35.2	Very low	46.4	Very low	180 Å²	180	100.3 Å²	100.3	83%	0.833	60%	0.595	S	S	*	*			trans	-56.9	96	-178.2	-84.1	-68.4	0	0	0	111.8	G741 S745	G741-H743 VanDerWaalsContact C-N 3.34Å; G741-H743 PolarHBondContact O-N 3.37Å; H743-S745 PolarHBondContact O-N 2.95Å
744	S	39.7	Very low	47.8	Very low	95 Å²	95	102.9 Å²	102.9	66%	0.664	61%	0.612	S	S	*	*			trans	-59.3	123.2	174.3	-172.8	0	0	0	0	109.8	G742 K746	G742-S744 PolarHBondContact O-N 3.41Å; S744-K746 VanDerWaalsContact C-N 3.33Å; S744-K746 PolarHBondContact O-N 2.62Å
745	S	49.2	Very low	49.3	Very low	103 Å²	103	105 Å²	105	72%	0.72	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	82.2	-168.9	-171.3	0	0	0	0	113.2	H743	H743-S745 PolarHBondContact O-N 2.95Å
746	K	47.5	Very low	51.3	Low	150 Å²	150	105.5 Å²	105.5	65%	0.652	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	-36.8	173	-67	-172.2	178.6	178.7	0	112.9	S744 V748 A749 I750	S744-K746 VanDerWaalsContact C-N 3.33Å; S744-K746 PolarHBondContact O-N 2.62Å; K746-V748 VanDerWaalsContact C-N 3.33Å; K746-V748 PolarHBondContact O-N 3.36Å; K746-A749 PolarHBondContact O-N 2.91Å; K746-I750 WeakPolarHBondContact O-CG1 3.43Å; K746-I750 PolarHBondContact O-N 2.72Å
747	S	50.2	Low	53.5	Low	79 Å²	79	105.5 Å²	105.5	55%	0.552	62%	0.622	S	S	*	*	H	α-helix	trans	-59.9	-39.4	178.8	-47.5	0	0	0	0	113	A749 I750 V751	S747-A749 VanDerWaalsContact C-N 3.34Å; S747-A749 PolarHBondContact O-N 2.88Å; S747-I750 PolarHBondContact O-N 2.84Å; S747-V751 WeakPolarHBondContact O-CG2 3.21Å; S747-V751 PolarHBondContact O-N 2.83Å
748	V	55.6	Low	56	Low	96 Å²	96	103.4 Å²	103.4	58%	0.582	61%	0.614	S	S	*	*	H	α-helix	trans	-63	-39.5	179.2	-178.6	0	0	0	0	111.8	K746 L752	K746-V748 VanDerWaalsContact C-N 3.33Å; K746-V748 PolarHBondContact O-N 3.36Å; V748-L752 HydrophobicContact CG1-CD1 4.15Å; V748-L752 WeakPolarHBondContact O-CB 3.21Å; V748-L752 PolarHBondContact O-N 2.85Å
749	A	57.4	Low	58.4	Low	63 Å²	63	100.5 Å²	100.5	52%	0.521	61%	0.605	S	S	.	*	H	α-helix	trans	-67.8	-38.9	176.8	0	0	0	0	0	112.1	K746 S747 A753	K746-A749 PolarHBondContact O-N 2.91Å; S747-A749 VanDerWaalsContact C-N 3.34Å; S747-A749 PolarHBondContact O-N 2.88Å; A749-A753 WeakPolarHBondContact O-CB 3.41Å; A749-A753 PolarHBondContact O-N 3.5Å
750	I	63.3	Low	60.9	Low	111 Å²	111	98.5 Å²	98.5	57%	0.569	60%	0.598	S	S	*	*	H	α-helix	trans	-67.5	-44.8	176.5	-64.2	167.6	0	0	0	110.7	K746 S747 L752 A753 V754	K746-I750 WeakPolarHBondContact O-CG1 3.43Å; K746-I750 PolarHBondContact O-N 2.72Å; S747-I750 PolarHBondContact O-N 2.84Å; I750-L752 PolarHBondContact O-N 2.87Å; I750-A753 PolarHBondContact O-N 2.64Å; I750-V754 WeakPolarHBondContact O-CG2 3.14Å; I750-V754 PolarHBondContact O-N 3.34Å
751	V	66.3	Low	63.2	Low	91 Å²	91	96.4 Å²	96.4	55%	0.552	59%	0.588	S	S	*	*	H	α-helix	trans	-62.2	-43.7	176	171	0	0	0	0	111.2	S747 A753 V754 V755	S747-V751 WeakPolarHBondContact O-CG2 3.21Å; S747-V751 PolarHBondContact O-N 2.83Å; V751-A753 PolarHBondContact O-N 2.98Å; V751-V754 PolarHBondContact O-N 2.68Å; V751-V755 HydrophobicContact CG1-CG2 4.42Å; V751-V755 WeakPolarHBondContact O-CB 3.36Å; V751-V755 VanDerWaalsContact O-CG2 3.31Å; V751-V755 WeakPolarHBondContact O-CG2 3.25Å; V751-V755 PolarHBondContact O-N 2.85Å
752	L	70.9	Confident	65.7	Low	106 Å²	106	98.2 Å²	98.2	56%	0.555	58%	0.582	S	S	*	*	H	α-helix	trans	-60.7	-42.9	173.9	-84.7	165	0	0	0	112.4	V748 I750 V755 V756	V748-L752 HydrophobicContact CG1-CD1 4.15Å; V748-L752 WeakPolarHBondContact O-CB 3.21Å; V748-L752 PolarHBondContact O-N 2.85Å; I750-L752 PolarHBondContact O-N 2.87Å; L752-V755 PolarHBondContact O-N 3.29Å; L752-V756 WeakPolarHBondContact O-CB 3.34Å; L752-V756 WeakPolarHBondContact O-CG2 3.5Å; L752-V756 PolarHBondContact O-N 3.49Å
753	A	76.1	Confident	67.9	Low	55 Å²	55	97.2 Å²	97.2	46%	0.455	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-44.5	176.5	0	0	0	0	0	112	A749 I750 V751 V756 V757	A749-A753 WeakPolarHBondContact O-CB 3.41Å; A749-A753 PolarHBondContact O-N 3.5Å; I750-A753 PolarHBondContact O-N 2.64Å; V751-A753 PolarHBondContact O-N 2.98Å; A753-V756 PolarHBondContact O-N 2.6Å; A753-V757 WeakPolarHBondContact O-CG2 3.14Å; A753-V757 PolarHBondContact O-N 2.95Å
754	V	79.5	Confident	69.8	Low	86 Å²	86	91.5 Å²	91.5	52%	0.521	55%	0.551	S	S	.	*	H	α-helix	trans	-64	-40.6	176.5	171.4	0	0	0	0	111.5	I750 V751 V757 M758	I750-V754 WeakPolarHBondContact O-CG2 3.14Å; I750-V754 PolarHBondContact O-N 3.34Å; V751-V754 PolarHBondContact O-N 2.68Å; V754-V757 PolarHBondContact O-N 3.19Å; V754-M758 WeakPolarHBondContact O-CB 3.22Å; V754-M758 PolarHBondContact O-N 3.48Å
755	V	79.9	Confident	71.6	Confident	71 Å²	71	88.5 Å²	88.5	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-42.2	175.5	169.1	0	0	0	0	111.5	V751 L752 M758 L759	V751-V755 HydrophobicContact CG1-CG2 4.42Å; V751-V755 WeakPolarHBondContact O-CB 3.36Å; V751-V755 VanDerWaalsContact O-CG2 3.31Å; V751-V755 WeakPolarHBondContact O-CG2 3.25Å; V751-V755 PolarHBondContact O-N 2.85Å; L752-V755 PolarHBondContact O-N 3.29Å; V755-M758 PolarHBondContact O-N 2.94Å; V755-L759 HydrophobicContact CG1-CD1 3.96Å; V755-L759 HydrophobicContact CG1-CG 4.47Å; V755-L759 WeakPolarHBondContact O-CB 3.34Å; V755-L759 VanDerWaalsContact O-CG 3.31Å; V755-L759 WeakPolarHBondContact O-CG 3.36Å; V755-L759 PolarHBondContact O-N 2.92Å
756	V	82.3	Confident	72.8	Confident	86 Å²	86	87.9 Å²	87.9	52%	0.521	53%	0.527	S	S	.	.	H	α-helix	trans	-64.1	-42.2	175.3	169	0	0	0	0	111.2	L752 A753 L759 M760	L752-V756 WeakPolarHBondContact O-CB 3.34Å; L752-V756 WeakPolarHBondContact O-CG2 3.5Å; L752-V756 PolarHBondContact O-N 3.49Å; A753-V756 PolarHBondContact O-N 2.6Å; V756-L759 PolarHBondContact O-N 2.62Å; V756-M760 HydrophobicContact CG1-CG 4.47Å; V756-M760 WeakPolarHBondContact O-CB 3.33Å; V756-M760 VanDerWaalsContact O-CG 3.26Å; V756-M760 WeakPolarHBondContact O-CG 3.46Å; V756-M760 PolarHBondContact O-N 2.9Å
757	V	84.8	Confident	73.8	Confident	92 Å²	92	85.3 Å²	85.3	56%	0.558	52%	0.523	S	S	*	.	H	α-helix	trans	-62.8	-46	174.7	170.6	0	0	0	0	111	A753 V754 L759 M760 S761	A753-V757 WeakPolarHBondContact O-CG2 3.14Å; A753-V757 PolarHBondContact O-N 2.95Å; V754-V757 PolarHBondContact O-N 3.19Å; V757-L759 PolarHBondContact O-N 2.92Å; V757-M760 PolarHBondContact O-N 3.01Å; V757-S761 WeakPolarHBondContact O-CB 3.16Å; V757-S761 PolarHBondContact O-N 3.4Å; V757-S761 PolarHBondContact O-OG 3.01Å; V757-S761 VanDerWaalsContact O-OG 3.11Å
758	M	83	Confident	74.6	Confident	117 Å²	117	87.8 Å²	87.8	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-56.4	-46.8	174	-90.4	-82.7	-96.4	0	0	112.4	V754 V755 M760 S761 I762	V754-M758 WeakPolarHBondContact O-CB 3.22Å; V754-M758 PolarHBondContact O-N 3.48Å; V755-M758 PolarHBondContact O-N 2.94Å; M758-M760 PolarHBondContact O-N 3.28Å; M758-S761 PolarHBondContact O-N 2.96Å; M758-I762 WeakPolarHBondContact O-CB 3.4Å; M758-I762 WeakPolarHBondContact O-CD1 3.37Å; M758-I762 VanDerWaalsContact O-CG1 3.25Å; M758-I762 WeakPolarHBondContact O-CG1 3.43Å; M758-I762 PolarHBondContact O-N 3.29Å
759	L	83	Confident	75.1	Confident	107 Å²	107	87 Å²	87	56%	0.56	52%	0.519	S	S	*	.	H	α-helix	trans	-64.4	-38.8	178.1	-72.1	169.4	0	0	0	112.1	V755 V756 V757 I762 A763	V755-L759 HydrophobicContact CG1-CD1 3.96Å; V755-L759 HydrophobicContact CG1-CG 4.47Å; V755-L759 WeakPolarHBondContact O-CB 3.34Å; V755-L759 VanDerWaalsContact O-CG 3.31Å; V755-L759 WeakPolarHBondContact O-CG 3.36Å; V755-L759 PolarHBondContact O-N 2.92Å; V756-L759 PolarHBondContact O-N 2.62Å; V757-L759 PolarHBondContact O-N 2.92Å; L759-I762 PolarHBondContact O-N 3.33Å; L759-A763 WeakPolarHBondContact O-CB 3.38Å; L759-A763 PolarHBondContact O-N 3.36Å
760	M	81.7	Confident	75.2	Confident	132 Å²	132	93.9 Å²	93.9	65%	0.65	53%	0.532	S	S	*	.	H	α-helix	trans	-66.9	-39.5	173.8	-71.5	-69.2	-74.4	0	0	112.1	V756 V757 M758 A763 A764	V756-M760 HydrophobicContact CG1-CG 4.47Å; V756-M760 WeakPolarHBondContact O-CB 3.33Å; V756-M760 VanDerWaalsContact O-CG 3.26Å; V756-M760 WeakPolarHBondContact O-CG 3.46Å; V756-M760 PolarHBondContact O-N 2.9Å; V757-M760 PolarHBondContact O-N 3.01Å; M758-M760 PolarHBondContact O-N 3.28Å; M760-A763 PolarHBondContact O-N 2.88Å; M760-A764 VanDerWaalsContact O-CB 3.29Å; M760-A764 WeakPolarHBondContact O-CB 2.96Å; M760-A764 PolarHBondContact O-N 3.12Å
761	S	80	Confident	74.9	Confident	73 Å²	73	95.5 Å²	95.5	51%	0.51	54%	0.535	S	S	.	.	H	α-helix	trans	-64.8	-40.4	173.6	-65.4	0	0	0	0	112.3	V757 M758 G765	V757-S761 WeakPolarHBondContact O-CB 3.16Å; V757-S761 PolarHBondContact O-N 3.4Å; V757-S761 PolarHBondContact O-OG 3.01Å; V757-S761 VanDerWaalsContact O-OG 3.11Å; M758-S761 PolarHBondContact O-N 2.96Å; S761-G765 PolarHBondContact O-N 2.87Å
762	I	81.6	Confident	74.3	Confident	97 Å²	97	97.8 Å²	97.8	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-44.8	174.8	-69.5	162.3	0	0	0	110.4	M758 L759 G765 V766	M758-I762 WeakPolarHBondContact O-CB 3.4Å; M758-I762 WeakPolarHBondContact O-CD1 3.37Å; M758-I762 VanDerWaalsContact O-CG1 3.25Å; M758-I762 WeakPolarHBondContact O-CG1 3.43Å; M758-I762 PolarHBondContact O-N 3.29Å; L759-I762 PolarHBondContact O-N 3.33Å; I762-G765 PolarHBondContact O-N 2.87Å; I762-V766 WeakPolarHBondContact O-CG2 3.22Å; I762-V766 PolarHBondContact O-N 2.82Å
763	A	78.1	Confident	73.6	Confident	51 Å²	51	97.6 Å²	97.6	42%	0.421	54%	0.537	S	S	.	.	H	α-helix	trans	-61.6	-44.7	176.2	0	0	0	0	0	112	L759 M760 V766 V767	L759-A763 WeakPolarHBondContact O-CB 3.38Å; L759-A763 PolarHBondContact O-N 3.36Å; M760-A763 PolarHBondContact O-N 2.88Å; A763-V766 PolarHBondContact O-N 3.43Å; A763-V767 WeakPolarHBondContact O-CG2 3.49Å; A763-V767 PolarHBondContact O-N 3.41Å
764	A	75.8	Confident	72.5	Confident	60 Å²	60	100.6 Å²	100.6	50%	0.496	55%	0.554	S	S	.	*	H	α-helix	trans	-61.7	-42.7	173.8	0	0	0	0	0	111.8	M760 V767 F768	M760-A764 VanDerWaalsContact O-CB 3.29Å; M760-A764 WeakPolarHBondContact O-CB 2.96Å; M760-A764 PolarHBondContact O-N 3.12Å; A764-V767 PolarHBondContact O-N 2.99Å; A764-F768 WeakPolarHBondContact O-CB 3.28Å; A764-F768 PolarHBondContact O-N 2.75Å
765	G	77.1	Confident	71	Confident	32 Å²	32	99.5 Å²	99.5	33%	0.33	56%	0.56	S	S	.	*	H	α-helix	trans	-60.6	-45.6	174.9	0	0	0	0	0	112.8	S761 I762 V767 F768 V769	S761-G765 PolarHBondContact O-N 2.87Å; I762-G765 PolarHBondContact O-N 2.87Å; G765-V767 PolarHBondContact O-N 3.39Å; G765-F768 PolarHBondContact O-N 2.87Å; G765-V769 WeakPolarHBondContact O-CB 3.36Å; G765-V769 VanDerWaalsContact O-CG2 3.3Å; G765-V769 WeakPolarHBondContact O-CG2 3.14Å; G765-V769 PolarHBondContact O-N 2.58Å
766	V	74.8	Confident	69	Low	91 Å²	91	99.1 Å²	99.1	55%	0.552	57%	0.57	S	S	*	*	H	α-helix	trans	-62.4	-41.8	175.4	169.5	0	0	0	0	111.3	I762 A763 R770	I762-V766 WeakPolarHBondContact O-CG2 3.22Å; I762-V766 PolarHBondContact O-N 2.82Å; A763-V766 PolarHBondContact O-N 3.43Å; V766-R770 WeakPolarHBondContact O-CB 3.24Å; V766-R770 PolarHBondContact O-N 3.37Å
767	V	69.3	Low	66.8	Low	95 Å²	95	107.1 Å²	107.1	58%	0.576	59%	0.591	S	S	*	*	H	α-helix	trans	-64.5	-40.9	174.3	170.1	0	0	0	0	111.4	A763 A764 G765 R770 K771	A763-V767 WeakPolarHBondContact O-CG2 3.49Å; A763-V767 PolarHBondContact O-N 3.41Å; A764-V767 PolarHBondContact O-N 2.99Å; G765-V767 PolarHBondContact O-N 3.39Å; V767-R770 PolarHBondContact O-N 2.83Å; V767-K771 WeakPolarHBondContact O-CB 3.19Å; V767-K771 PolarHBondContact O-N 3.22Å
768	F	66.1	Low	64.4	Low	132 Å²	132	111.8 Å²	111.8	58%	0.579	60%	0.604	S	S	*	*	H	α-helix	trans	-67.1	-47.1	179.3	-161.8	-89.3	0	0	0	111.8	A764 G765 R770 K771 Y772	A764-F768 WeakPolarHBondContact O-CB 3.28Å; A764-F768 PolarHBondContact O-N 2.75Å; G765-F768 PolarHBondContact O-N 2.87Å; F768-R770 PolarHBondContact O-N 2.9Å; F768-K771 PolarHBondContact O-N 2.73Å; F768-K771 VanDerWaalsContact O-N 3.16Å; F768-Y772 HydrophobicContact CD1-CD2 4.32Å; F768-Y772 HydrophobicContact CD2-CD2 4.23Å; F768-Y772 HydrophobicContact CD2-CE2 4.43Å; F768-Y772 HydrophobicContact CE1-CD2 4.19Å; F768-Y772 HydrophobicContact CE2-CD2 4.1Å; F768-Y772 HydrophobicContact CE2-CE2 4.15Å; F768-Y772 HydrophobicContact CG-CD2 4.34Å; F768-Y772 HydrophobicContact CZ-CD2 4.08Å; F768-Y772 HydrophobicContact CZ-CE2 4.43Å; F768-Y772 PolarHBondContact O-N 3.13Å
769	V	66.4	Low	62	Low	79 Å²	79	114 Å²	114	48%	0.479	62%	0.618	S	S	.	*	H	α-helix	trans	-59.6	-46.7	174.4	170	0	0	0	0	110.6	G765 K771 Y772 V773	G765-V769 WeakPolarHBondContact O-CB 3.36Å; G765-V769 VanDerWaalsContact O-CG2 3.3Å; G765-V769 WeakPolarHBondContact O-CG2 3.14Å; G765-V769 PolarHBondContact O-N 2.58Å; V769-K771 PolarHBondContact O-N 2.68Å; V769-Y772 PolarHBondContact O-N 2.82Å; V769-V773 HydrophobicContact CB-CG2 4.29Å; V769-V773 HydrophobicContact CG1-CB 3.97Å; V769-V773 HydrophobicContact CG1-CG1 4.49Å; V769-V773 HydrophobicContact CG1-CG2 4.06Å; V769-V773 HydrophobicContact CG2-CG2 4.3Å; V769-V773 WeakPolarHBondContact O-CB 3.48Å; V769-V773 PolarHBondContact O-N 3.36Å
770	R	58.9	Low	59.7	Low	208 Å²	208	113.7 Å²	113.7	79%	0.785	62%	0.62	S	S	*	*	H	α-helix	trans	-65.4	-24	177.8	-164.9	175.5	-170.7	-176.6	3.7	113.4	V766 V767 F768	V766-R770 WeakPolarHBondContact O-CB 3.24Å; V766-R770 PolarHBondContact O-N 3.37Å; V767-R770 PolarHBondContact O-N 2.83Å; F768-R770 PolarHBondContact O-N 2.9Å
771	K	56.6	Low	57.3	Low	145 Å²	145	115.3 Å²	115.3	63%	0.63	63%	0.626	S	S	*	*	H	α-helix	trans	-90.5	-28.4	178.9	-171.5	173.3	176.9	-177.7	0	114	V767 F768 V769	V767-K771 WeakPolarHBondContact O-CB 3.19Å; V767-K771 PolarHBondContact O-N 3.22Å; F768-K771 PolarHBondContact O-N 2.73Å; F768-K771 VanDerWaalsContact O-N 3.16Å; V769-K771 PolarHBondContact O-N 2.68Å
772	Y	55.4	Low	55	Low	138 Å²	138	122.8 Å²	122.8	54%	0.541	64%	0.643	S	S	.	*	H	α-helix	trans	-123.3	-24.2	-172.4	-71.4	-78.2	0	0	0	116	F768 V769	F768-Y772 HydrophobicContact CD1-CD2 4.32Å; F768-Y772 HydrophobicContact CD2-CD2 4.23Å; F768-Y772 HydrophobicContact CD2-CE2 4.43Å; F768-Y772 HydrophobicContact CE1-CD2 4.19Å; F768-Y772 HydrophobicContact CE2-CD2 4.1Å; F768-Y772 HydrophobicContact CE2-CE2 4.15Å; F768-Y772 HydrophobicContact CG-CD2 4.34Å; F768-Y772 HydrophobicContact CZ-CD2 4.08Å; F768-Y772 HydrophobicContact CZ-CE2 4.43Å; F768-Y772 PolarHBondContact O-N 3.13Å; V769-Y772 PolarHBondContact O-N 2.82Å
773	V	56.2	Low	52.6	Low	102 Å²	102	128.8 Å²	128.8	62%	0.618	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-89.8	-27.9	-174.8	179.7	0	0	0	0	112.7	V769 G775	V769-V773 HydrophobicContact CB-CG2 4.29Å; V769-V773 HydrophobicContact CG1-CB 3.97Å; V769-V773 HydrophobicContact CG1-CG1 4.49Å; V769-V773 HydrophobicContact CG1-CG2 4.06Å; V769-V773 HydrophobicContact CG2-CG2 4.3Å; V769-V773 WeakPolarHBondContact O-CB 3.48Å; V769-V773 PolarHBondContact O-N 3.36Å; V773-G775 PolarHBondContact O-N 2.72Å
774	C	52.3	Low	50.3	Low	118 Å²	118	130.9 Å²	130.9	80%	0.797	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-76	6.5	167.6	-59.8	0	0	0	0	113.3
775	G	48.3	Very low	48.2	Very low	63 Å²	63	134.1 Å²	134.1	65%	0.649	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-96.2	-8.1	-169.1	0	0	0	0	0	117.2	V773	V773-G775 PolarHBondContact O-N 2.72Å
776	G	37.1	Very low	45.9	Very low	63 Å²	63	140.3 Å²	140.3	65%	0.649	71%	0.71	S	S	*	*			trans	89.9	144.6	162.2	0	0	0	0	0	119.3
777	R	35.8	Very low	43.8	Very low	255 Å²	255	143.3 Å²	143.3	96%	0.962	72%	0.718	S	S	*	*			trans	82.6	138.5	169.3	-65	-171.1	169.7	-175.4	-3	119.2
778	F	34.8	Very low	42	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.833	73%	0.732	S	S	*	*			trans	-80.2	160.2	-176.5	-79.7	-110.2	0	0	0	113.2	V780	F778-V780 HydrophobicContact CD1-CG2 4Å
779	L	33.4	Very low	40.4	Very low	163 Å²	163	148.3 Å²	148.3	85%	0.853	74%	0.737	S	S	*	*				-148.7	153.1	124.5	-120.9	143.7	0	0	0	110.6
780	V	35.2	Very low	38.8	Very low	100 Å²	100	150 Å²	150	61%	0.606	75%	0.747	S	S	*	*			trans	-128.6	134	-172.2	173.7	0	0	0	0	109.5	F778	F778-V780 HydrophobicContact CD1-CG2 4Å
781	H	30.5	Very low	37.6	Very low	167 Å²	167	147.2 Å²	147.2	77%	0.773	74%	0.743	S	S	*	*			trans	-145.2	142.9	156.1	-89.9	-77.8	0	0	0	111.4
782	R	32.3	Very low	36.4	Very low	230 Å²	230	146.8 Å²	146.8	87%	0.868	75%	0.747	S	S	*	*			trans	-102.8	153	163.2	-76.4	179.1	167.8	-174.9	-4.1	108.6
783	Y	31.2	Very low	35.2	Very low	223 Å²	223	146.5 Å²	146.5	88%	0.875	76%	0.755	S	S	*	*			trans	-144.4	174.7	145.6	-95.8	-69.5	0	0	0	110.3
784	S	28.3	Very low	33.9	Very low	94 Å²	94	146.1 Å²	146.1	66%	0.657	76%	0.763	S	S	*	*			trans	-150.2	148.5	-155.3	55	0	0	0	0	113.2
785	V	31.7	Very low	32.8	Very low	128 Å²	128	144.9 Å²	144.9	78%	0.776	76%	0.761	S	S	*	*			trans	55.4	122.2	143.3	175.5	0	0	0	0	118
786	L	29.1	Very low	31.9	Very low	163 Å²	163	150.1 Å²	150.1	85%	0.853	77%	0.774	S	S	*	*				-153.2	172.1	117.6	-133.7	92.8	0	0	0	112.1
787	Q	31.6	Very low	31.5	Very low	153 Å²	153	150.9 Å²	150.9	72%	0.715	78%	0.782	S	S	*	*			trans	-149.5	146.2	-166.1	167.8	-172.1	-2.8	0	0	107.8
788	Q	31.4	Very low	31.2	Very low	186 Å²	186	147.2 Å²	147.2	87%	0.869	78%	0.778	S	S	*	*			trans	-151.3	157.2	161.3	-128	162.6	-22	0	0	112.2
789	H	31.3	Very low	30.8	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.676	78%	0.781	S	S	*	*			trans	-143	-166	-168	-118.4	-97.5	0	0	0	108.3
790	V	32.8	Very low	30.7	Very low	115 Å²	115	147.2 Å²	147.2	70%	0.697	78%	0.782	S	S	*	*			trans	83.4	108.9	174	-169.8	0	0	0	0	111.2
791	E	34.4	Very low	30.5	Very low	150 Å²	150	148.3 Å²	148.3	70%	0.701	79%	0.791	S	S	*	*				74.6	142.7	59.2	-57.6	155.2	-177.1	0	0	110.8
792	D	32	Very low	30.2	Very low	135 Å²	135	148.5 Å²	148.5	72%	0.722	80%	0.797	S	S	*	*			cis	-164.3	-177.9	6.9	-143.4	-16.2	0	0	0	114.1
793	N	30.3	Very low	29.9	Very low	132 Å²	132	144.3 Å²	144.3	71%	0.706	79%	0.791	S	S	*	*			trans	81.5	102.1	150.4	-72.6	-50.1	0	0	0	123.7
794	A	28.5	Very low	29.5	Very low	94 Å²	94	140.4 Å²	140.4	78%	0.777	79%	0.791	S	S	*	*				59.7	130.7	110.6	0	0	0	0	0	124
795	A	29.2	Very low	29.3	Very low	93 Å²	93	142.8 Å²	142.8	77%	0.769	80%	0.796	S	S	*	*				163.1	132.8	99.4	0	0	0	0	0	115.8
796	D	30	Very low	29	Very low	173 Å²	173	145.7 Å²	145.7	93%	0.925	80%	0.801	S	S	*	*			trans	52.8	144.1	151.6	-68.7	-24.2	0	0	0	126.2
797	G	27.5	Very low	28.7	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	80%	0.8	S	S	*	*			trans	167.1	95.9	169.1	0	0	0	0	0	111.8
798	M	28.9	Very low	28.4	Very low	179 Å²	179	141.2 Å²	141.2	88%	0.882	80%	0.803	S	S	*	*			trans	-89.2	157.4	176.4	-75.8	-179	163.5	0	0	112.5
799	D	28.1	Very low	28.1	Very low	166 Å²	166	140.1 Å²	140.1	89%	0.888	80%	0.803	S	S	*	*				-170.5	173.9	118.2	-92.2	-14.5	0	0	0	111.5
800	E	31.1	Very low	28	Very low	187 Å²	187	137 Å²	137	87%	0.874	81%	0.811	S	S	*	*			trans	-85.4	159.2	-158.4	-67	-175.6	124.1	0	0	117
801	P	29.6	Very low	27.6	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	80%	0.804	S	S	*	*			trans	-83.9	161.4	167.6	36.3	-35.6	0	0	0	112.9
802	L	25.7	Very low	27.3	Very low	171 Å²	171	138.4 Å²	138.4	90%	0.895	81%	0.811	S	S	*	*			trans	-127.8	123.1	171.4	-90.2	168.5	0	0	0	111.8
803	D	24.6	Very low	26.9	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	80%	0.797	S	S	*	*			trans	-67.7	139.1	172.9	-77.7	-67.5	0	0	0	112.9
804	T	24.5	Very low	26.7	Very low	141 Å²	141	140 Å²	140	87%	0.865	81%	0.808	S	S	*	*			trans	-146.9	64.5	158.9	25.6	0	0	0	0	112	H806	T804-H806 PolarHBondContact O-N 2.9Å
805	N	23.9	Very low	26.8	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	79%	0.793	S	S	*	*			trans	-76	107.5	168.3	-82.8	-63.5	0	0	0	110.9
806	H	23.7	Very low	26.9	Very low	190 Å²	190	139.2 Å²	139.2	88%	0.88	77%	0.774	S	S	*	*			trans	-145.9	95.6	167.2	-95.6	54.8	0	0	0	110.1	T804	T804-H806 PolarHBondContact O-N 2.9Å
807	A	23.5	Very low	27	Very low	100 Å²	100	132.4 Å²	132.4	83%	0.826	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-100.1	129	172.5	0	0	0	0	0	110.6
808	P	25.9	Very low	27.8	Very low	122 Å²	122	128.8 Å²	128.8	79%	0.792	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-85.9	153.5	170.7	34.1	-32	0	0	0	111.9
809	N	25.5	Very low	28.3	Very low	162 Å²	162	120.5 Å²	120.5	87%	0.866	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-60	148	-175.4	-65.8	-27.2	0	0	0	113.8
810	G	28.5	Very low	28.7	Very low	81 Å²	81	115.6 Å²	115.6	84%	0.835	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64.1	142	175	0	0	0	0	0	113.8
811	K	24.5	Very low	28.8	Very low	127 Å²	127	111.1 Å²	111.1	55%	0.552	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-89.6	157	158	-61.9	174.3	179.9	175.9	0	109.2	D388 E813	D388-K811 IonicContact OD1-NZ 3.39Å; K811-E813 HydrophobicContact CB-CB 4.4Å; K811-E813 WeakPolarHBondContact CD-OE2 3.09Å; K811-E813 WeakPolarHBondContact CE-OE2 3.33Å; K811-E813 IonicContact NZ-OE1 2.61Å; K811-E813 PolarHBondContact NZ-OE1 2.85Å; K811-E813 IonicContact NZ-OE2 2.76Å; K811-E813 PolarHBondContact NZ-OE2 2.9Å
812	I	28.7	Very low	28.8	Very low	167 Å²	167	109.9 Å²	109.9	86%	0.856	60%	0.599	S	S	*	*			trans	-97.9	108.6	156.4	-61.5	173.6	0	0	0	105.7
813	E	23.6	Very low	28.8	Very low	91 Å²	91	107.6 Å²	107.6	43%	0.425	59%	0.587	S	S	.	*			trans	-130.6	129.8	-175.2	-144	162.5	-161.1	0	0	109.6	K811 H815	K811-E813 HydrophobicContact CB-CB 4.4Å; K811-E813 WeakPolarHBondContact CD-OE2 3.09Å; K811-E813 WeakPolarHBondContact CE-OE2 3.33Å; K811-E813 IonicContact NZ-OE1 2.61Å; K811-E813 PolarHBondContact NZ-OE1 2.85Å; K811-E813 IonicContact NZ-OE2 2.76Å; K811-E813 PolarHBondContact NZ-OE2 2.9Å; E813-H815 VanDerWaalsContact C-N 3.33Å; E813-H815 VanDerWaalsContact CD-NE2 3.35Å; E813-H815 PolarHBondContact O-N 3.4Å; E813-H815 IonicContact OE1-NE2 3.19Å; E813-H815 IonicContact OE2-CD2 3.41Å; E813-H815 IonicContact OE2-NE2 2.71Å
814	F	25.7	Very low	28.7	Very low	211 Å²	211	113.9 Å²	113.9	93%	0.925	61%	0.612	S	S	*	*			trans	-88.4	70.3	-178.5	-100.9	-84.6	0	0	0	110.3
815	H	30.1	Very low	28.9	Very low	100 Å²	100	112.5 Å²	112.5	46%	0.463	60%	0.599	S	S	.	*			trans	-101.5	113.7	170.8	-67.2	-40.1	0	0	0	109.8	E813 D817	E813-H815 VanDerWaalsContact C-N 3.33Å; E813-H815 VanDerWaalsContact CD-NE2 3.35Å; E813-H815 PolarHBondContact O-N 3.4Å; E813-H815 IonicContact OE1-NE2 3.19Å; E813-H815 IonicContact OE2-CD2 3.41Å; E813-H815 IonicContact OE2-NE2 2.71Å; H815-D817 WeakPolarHBondContact CB-OD2 3.39Å; H815-D817 PolarHBondContact O-N 3.04Å; H815-D817 VanDerWaalsContact O-N 3.15Å
816	D	31	Very low	29.2	Very low	70 Å²	70	110.8 Å²	110.8	37%	0.374	59%	0.59	S	S	.	*			trans	-86.7	47.4	173	-155.8	-38.6	0	0	0	109.9	K248 S818	K248-D816 WeakPolarHBondContact CE-OD1 3.45Å; K248-D816 IonicContact NZ-OD1 2.64Å; K248-D816 PolarHBondContact NZ-OD1 2.85Å; D816-S818 PolarHBondContact O-N 3.03Å
817	D	33.2	Very low	29.5	Very low	29 Å²	29	106.4 Å²	106.4	16%	0.155	57%	0.574	C	S	.	*			trans	-64.5	125.7	-174.6	-83.9	-47.8	0	0	0	110.8	K248 S339 Y382 H815 E820	K248-D817 PolarHBondContact NZ-O 2.62Å; S339-D817 WeakPolarHBondContact CB-OD1 3.35Å; S339-D817 PolarHBondContact OG-OD1 2.97Å; Y382-D817 PolarHBondContact OH-OD1 2.66Å; H815-D817 WeakPolarHBondContact CB-OD2 3.39Å; H815-D817 PolarHBondContact O-N 3.04Å; H815-D817 VanDerWaalsContact O-N 3.15Å; D817-E820 HydrophobicContact CB-CB 4.18Å
818	S	42.9	Very low	29.9	Very low	2 Å²	2	106.8 Å²	106.8	1%	0.014	56%	0.559	C	S	.	*	S	Bend	trans	-111.9	54.1	-177.6	71.2	0	0	0	0	110.7	D816	D816-S818 PolarHBondContact O-N 3.03Å
819	D	39.1	Very low	30.1	Very low	5 Å²	5	105.9 Å²	105.9	3%	0.027	55%	0.545	C	S	.	.	S	Bend	trans	-179.2	-12	152.2	-87.4	-15.2	0	0	0	112.7	F291 S292 S303 R312 D821	F291-D819 HydrophobicContact CD1-CB 4.35Å; F291-D819 VanDerWaalsContact CD1-OD1 3.23Å; F291-D819 WeakPolarHBondContact CD1-OD1 3.27Å; F291-D819 HydrophobicContact CE1-CB 4.25Å; S292-D819 WeakPolarHBondContact CB-OD1 3.43Å; S292-D819 PolarHBondContact N-OD1 2.96Å; S303-D819 WeakPolarHBondContact CB-OD1 3.34Å; S303-D819 WeakPolarHBondContact CB-OD2 3.37Å; S303-D819 PolarHBondContact OG-OD1 2.95Å; S303-D819 PolarHBondContact OG-OD2 2.96Å; R312-D819 IonicContact CZ-OD2 2.7Å; R312-D819 IonicContact NE-OD2 2.8Å; R312-D819 PolarHBondContact NE-OD2 3.13Å; R312-D819 IonicContact NH2-OD2 2.82Å; R312-D819 PolarHBondContact NH2-OD2 3.18Å; D819-D821 PolarHBondContact O-N 2.75Å; D819-D821 VanDerWaalsContact O-N 3.17Å
820	E	37.3	Very low	30.4	Very low	64 Å²	64	102.1 Å²	102.1	30%	0.299	52%	0.523	S	S	.	.			trans	-79.1	87.8	176.4	-70.9	-155.9	-144	0	0	114.4	D817	D817-E820 HydrophobicContact CB-CB 4.18Å
821	D	32.5	Very low	30.6	Very low	93 Å²	93	103.6 Å²	103.6	50%	0.497	50%	0.501	S	S	.	.			trans	-126.6	65.6	136.9	11.5	-114.3	0	0	0	109.7	R268 D819	R268-D821 IonicContact CZ-OD2 2.74Å; R268-D821 IonicContact NE-OD2 2.78Å; R268-D821 PolarHBondContact NE-OD2 3.46Å; R268-D821 PolarHBondContact NH1-O 3.08Å; R268-D821 IonicContact NH1-OD2 2.73Å; R268-D821 PolarHBondContact NH2-O 3.18Å; R268-D821 IonicContact NH2-OD2 3.95Å; R268-D821 PolarHBondContact NH2-OD2 2.93Å; D819-D821 PolarHBondContact O-N 2.75Å; D819-D821 VanDerWaalsContact O-N 3.17Å
822	L	29.7	Very low	31	Very low	97 Å²	97	101.8 Å²	101.8	51%	0.508	50%	0.497	S	S	.	.			trans	-132.1	71.7	173.8	-81.7	175.5	0	0	0	110.2
823	L	26.1	Very low	31.2	Very low	123 Å²	123	96.4 Å²	96.4	64%	0.644	47%	0.467	S	S	*	.			trans	-177.3	75.1	155.3	-101.3	166.1	0	0	0	110.6	T385	T385-L823 HydrophobicContact CG2-CD1 4.17Å
824	E	23.5	Very low	31.9	Very low	272 Å²	272	96.9 Å²	96.9	100%	1.271	47%	0.471	S	S	*	.			trans	-114.6	0	150.3	-78.9	-163.7	145	0	0	108.4

Retrieved 824 of 824 residues in 1779.2 ms (Link to these results)

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