A0A077Z1B5_TRITR Loading...

Lipophorin receptor

AlphaFold DB , UniProt , Accession A0A077Z1B5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 975 aa.

						>A0A077Z1B5_TRITR|A0A077Z1B5
MVLPADSVQHCHYLQSVDVAQARQRFTERERRSYQVLSLLSNVEMMFPSVVLLTLCLCALIPTLAVGASNGDLSCPVNNFACPSGRCIPRHWTCDGENDCGDDADEKGCESRTCQANEFKCLHNNKCISLHWQCDGSDDCGDNSDEDPALCEKKECSSDQFKCLSDGKCIPLQWVCDGHQDCLDESDERNRQCSIRTCDKVNEFRCANGRCIPKVWECDRDNDCGDNSDEHDKCSYHCNSTDFQCKSDKRCIPYAWVCDGQLDCPDRSDEAECMDASPAMSRICKPYEFQCRDGACVNKKFVCDGDVDCPDFSDEENCTHKCSFLHFQCQKDGKCIPAVYRCNGVKDCSDGSDEANCEPSVKPETKHCDPLTQFDCQNGFCIPWREVCDKVPSCPGAKPLDEEPYVNCSNKDVNFCATTRCQQVCTNTPLGARCSCTAGYSVSPFDPKNCVDVNECNTPGTCSQICINTQGSYQCRCHHGYALQYDKRSCRAVGPFPKLLLANRISIRQIDLLSMTAHPLVNEMSSVIAIDYSYRRRMLFWSDVVTEKIYGCPMDANYTIANVTECLKPIVSNNVTTPDGLAVDWVHDLIYWTDTGADTISVAKFDGSFRRTLIDKDLDEPRAITLDPACGVMFWTDWGAKPKIETAGMDGTNRFIIEHDAIWPNGLTADLLEHRLYWVDAKLKQICSSDYFGQNKKVILNSRNRIYHPFSITVFEEQLYWTDWSTDGVHVANKFTGENNRVVMNGIFGVMTVKVFHPAVQPDWPNKCEDSACEQLCIPTLKLAKGTFDWYKYFPGAKPYVCLCGDGYVLHENARNCTSVHLLPNSSSHSSSAVLSTGALTTPSASLVQNAASEGGSSAGLVVSLLLLLLLALTLVAWVYWKRNSFNIHFSQFFSLSYPFCRRSQDHYDHLRLTLENDEYQSSTVLSGSGSGIYQPTVKEGRAGAELLASDSGYMLSKDGDLLVGSDSHPAGAMA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	29.9	Very low	235 Å²	235	145.4 Å²	145.4	100%	1.158	83%	0.832	S	S	*	*				0	100.4	0	-88.6	167.8	166	0	0	106.5
2	V	30.8	Very low	29.6	Very low	144 Å²	144	148.8 Å²	148.8	87%	0.873	83%	0.834	S	S	*	*				70.5	113.3	111.2	-173.4	0	0	0	0	112.4
3	L	27.5	Very low	29.5	Very low	161 Å²	161	150.3 Å²	150.3	84%	0.843	82%	0.821	S	S	*	*			trans	-46.9	174.7	166.6	-67.8	163.1	0	0	0	113.3
4	P	31.8	Very low	29.4	Very low	124 Å²	124	152.9 Å²	152.9	81%	0.805	83%	0.832	S	S	*	*			cis	-144.3	-172.8	19.5	34.5	-9.3	0	0	0	116.7
5	A	31.6	Very low	29.6	Very low	81 Å²	81	147.4 Å²	147.4	67%	0.669	80%	0.799	S	S	*	*			trans	-67.8	159.2	172.6	0	0	0	0	0	115
6	D	30.9	Very low	29.6	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	80%	0.796	S	S	*	*			trans	170.1	156.3	133.1	-88	-24.1	0	0	0	113.1
7	S	31.5	Very low	29.6	Very low	112 Å²	112	144.1 Å²	144.1	78%	0.783	80%	0.796	S	S	*	*			trans	79.1	106.3	172.6	66.5	0	0	0	0	117.3
8	V	28.1	Very low	29.7	Very low	127 Å²	127	140.9 Å²	140.9	77%	0.77	78%	0.777	S	S	*	*			cis	71.5	127.3	42	-174.2	0	0	0	0	114.7
9	Q	27.7	Very low	29.8	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.752	78%	0.779	S	S	*	*			trans	89.2	105.8	151.6	-96.7	167	-12.9	0	0	121.3
10	H	29.1	Very low	30	Very low	164 Å²	164	137.9 Å²	137.9	76%	0.759	78%	0.776	S	S	*	*				159.4	117.2	115.1	-95.1	77.8	0	0	0	112.7
11	C	25.4	Very low	30.2	Very low	132 Å²	132	139 Å²	139	89%	0.892	78%	0.775	S	S	*	*			trans	-173.8	72.9	135.4	-95.1	0	0	0	0	109.8
12	H	26.5	Very low	30.1	Very low	186 Å²	186	131.8 Å²	131.8	86%	0.861	75%	0.753	S	S	*	*			trans	-142.5	86.6	162.8	-116.6	-79.3	0	0	0	106.1
13	Y	28.7	Very low	30.2	Very low	169 Å²	169	135.5 Å²	135.5	66%	0.663	75%	0.751	S	S	*	*			trans	-174.3	101.1	163.6	-133.4	-102.1	0	0	0	110.1	Q15	Y13-Q15 HydrophobicContact CD1-CB 3.76Å; Y13-Q15 HydrophobicContact CD1-CG 3.9Å; Y13-Q15 HydrophobicContact CD2-CG 4.14Å; Y13-Q15 HydrophobicContact CE1-CB 3.48Å; Y13-Q15 VanDerWaalsContact CE1-CB 3.48Å; Y13-Q15 VanDerWaalsContact CE1-CD 3.44Å; Y13-Q15 HydrophobicContact CE1-CG 3.57Å; Y13-Q15 VanDerWaalsContact CE2-CD 3.41Å; Y13-Q15 HydrophobicContact CE2-CG 3.85Å; Y13-Q15 VanDerWaalsContact CE2-NE2 3.28Å; Y13-Q15 HydrophobicContact CG-CB 4.5Å; Y13-Q15 HydrophobicContact CG-CG 4.22Å; Y13-Q15 VanDerWaalsContact CZ-NE2 3.3Å; Y13-Q15 PolarHBondContact OH-NE2 3.03Å; Y13-Q15 PolarHBondContact OH-OE1 3.42Å
14	L	28.3	Very low	30.5	Very low	186 Å²	186	136.4 Å²	136.4	97%	0.974	75%	0.751	S	S	*	*			trans	-128.2	80.3	136.6	-89.1	171.7	0	0	0	105.8
15	Q	31.9	Very low	30.5	Very low	71 Å²	71	141.5 Å²	141.5	33%	0.332	75%	0.754	S	S	.	*			trans	-74.4	138.3	161.8	-79.7	-167.8	3.1	0	0	109.8	Y13 V17 K366	Y13-Q15 HydrophobicContact CD1-CB 3.76Å; Y13-Q15 HydrophobicContact CD1-CG 3.9Å; Y13-Q15 HydrophobicContact CD2-CG 4.14Å; Y13-Q15 HydrophobicContact CE1-CB 3.48Å; Y13-Q15 VanDerWaalsContact CE1-CB 3.48Å; Y13-Q15 VanDerWaalsContact CE1-CD 3.44Å; Y13-Q15 HydrophobicContact CE1-CG 3.57Å; Y13-Q15 VanDerWaalsContact CE2-CD 3.41Å; Y13-Q15 HydrophobicContact CE2-CG 3.85Å; Y13-Q15 VanDerWaalsContact CE2-NE2 3.28Å; Y13-Q15 HydrophobicContact CG-CB 4.5Å; Y13-Q15 HydrophobicContact CG-CG 4.22Å; Y13-Q15 VanDerWaalsContact CZ-NE2 3.3Å; Y13-Q15 PolarHBondContact OH-NE2 3.03Å; Y13-Q15 PolarHBondContact OH-OE1 3.42Å; Q15-V17 PolarHBondContact O-N 3Å; Q15-K366 VanDerWaalsContact NE2-NZ 3.12Å
16	S	29.2	Very low	30.5	Very low	108 Å²	108	147.7 Å²	147.7	76%	0.755	77%	0.767	S	S	*	*			trans	23.4	89.2	137.1	64.6	0	0	0	0	118.1
17	V	30.9	Very low	30.5	Very low	131 Å²	131	146.1 Å²	146.1	79%	0.794	76%	0.763	S	S	*	*			trans	-154.7	115.6	151.3	-161.9	0	0	0	0	101.4	Q15	Q15-V17 PolarHBondContact O-N 3Å
18	D	30.3	Very low	30.4	Very low	87 Å²	87	150 Å²	150	47%	0.465	77%	0.769	S	S	.	*			cis	-170.1	95.1	42.3	-152	-31.5	0	0	0	107.5
19	V	32.5	Very low	30.5	Very low	134 Å²	134	155.7 Å²	155.7	81%	0.812	78%	0.776	S	S	*	*	S	Bend	trans	-103.9	18.5	174.6	-170.1	0	0	0	0	110.8
20	A	32.9	Very low	30.7	Very low	87 Å²	87	157.2 Å²	157.2	72%	0.719	78%	0.783	S	S	*	*	S	Bend	trans	-110	-6.5	176.2	0	0	0	0	0	113.9
21	Q	33.8	Very low	30.9	Very low	161 Å²	161	160.8 Å²	160.8	75%	0.752	79%	0.79	S	S	*	*	S	Bend	trans	-117.7	-2.1	174.5	-80.9	-174.1	-12.5	0	0	116.2
22	A	32.5	Very low	31.2	Very low	84 Å²	84	165.9 Å²	165.9	69%	0.694	79%	0.79	S	S	*	*	S	Bend	trans	-90.2	4.3	172.5	0	0	0	0	0	114.2	Q24	A22-Q24 VanDerWaalsContact C-N 3.34Å; A22-Q24 PolarHBondContact O-N 3.02Å
23	R	33.5	Very low	31.4	Very low	222 Å²	222	161.8 Å²	161.8	84%	0.838	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	23	-174.5	-109.5	178.8	179.4	-179	0.6	115.5
24	Q	33.3	Very low	31.7	Very low	180 Å²	180	163.5 Å²	163.5	84%	0.841	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.3	16.4	-178.6	-89.7	-168.2	-25.2	0	0	116.4	A22	A22-Q24 VanDerWaalsContact C-N 3.34Å; A22-Q24 PolarHBondContact O-N 3.02Å
25	R	32.4	Very low	31.9	Very low	230 Å²	230	162.3 Å²	162.3	87%	0.868	78%	0.779	S	S	*	*	S	Bend	trans	-137.9	17	-178	-75.4	-167.4	178.6	177.5	0.3	118.3
26	F	31.2	Very low	31.8	Very low	212 Å²	212	164.8 Å²	164.8	93%	0.93	80%	0.799	S	S	*	*			trans	-133.8	30.9	178.1	-99.1	-84.7	0	0	0	114.6
27	T	30.9	Very low	31.8	Very low	124 Å²	124	166.5 Å²	166.5	76%	0.761	80%	0.799	S	S	*	*			trans	-112.5	93.1	165	47.8	0	0	0	0	108.2
28	E	29.8	Very low	31.7	Very low	195 Å²	195	164.4 Å²	164.4	91%	0.911	79%	0.79	S	S	*	*			trans	159.2	72.4	159.9	-94.2	171	178.1	0	0	109.6
29	R	30.2	Very low	31.8	Very low	246 Å²	246	167 Å²	167	93%	0.928	80%	0.803	S	S	*	*			trans	-159.1	59.2	160.7	-131.6	177.9	-171.9	-176.3	0.8	113.6
30	E	31.5	Very low	31.8	Very low	192 Å²	192	167.5 Å²	167.5	90%	0.897	80%	0.8	S	S	*	*	S	Bend	trans	-166.3	79.2	152.6	-112.5	173.3	-159	0	0	109.8
31	R	34	Very low	31.8	Very low	239 Å²	239	167.7 Å²	167.7	90%	0.902	80%	0.797	S	S	*	*			trans	-165	121.3	153.8	-119.7	175.8	-179.4	-179.6	2.2	109.8
32	R	32	Very low	31.8	Very low	239 Å²	239	167.3 Å²	167.3	90%	0.902	80%	0.8	S	S	*	*			trans	101.6	101.4	159.6	-61.3	-179.9	172.1	-179	-2.5	117.4
33	S	30.3	Very low	32	Very low	101 Å²	101	169.6 Å²	169.6	71%	0.706	81%	0.805	S	S	*	*			trans	-39.8	162	143.2	-43.6	0	0	0	0	114.9
34	Y	33.8	Very low	32.1	Very low	204 Å²	204	166.1 Å²	166.1	80%	0.8	80%	0.798	S	S	*	*			trans	105.4	106.7	161.7	-68.2	-85.4	0	0	0	118.3
35	Q	32.6	Very low	32.3	Very low	161 Å²	161	164 Å²	164	75%	0.752	79%	0.79	S	S	*	*			trans	83.4	108.5	130.5	-73	175.9	-15.8	0	0	122
36	V	29.5	Very low	32.4	Very low	123 Å²	123	159.2 Å²	159.2	75%	0.745	78%	0.779	S	S	*	*				67	137.2	121.2	-166.1	0	0	0	0	119.7
37	L	30.8	Very low	32.5	Very low	144 Å²	144	157.2 Å²	157.2	75%	0.754	77%	0.77	S	S	*	*			trans	99.3	90.4	161.8	-74.3	126.6	0	0	0	118.5
38	S	28.7	Very low	33	Very low	87 Å²	87	156.3 Å²	156.3	61%	0.608	77%	0.766	S	S	*	*				14.8	130.2	114.6	68.4	0	0	0	0	118.9
39	L	32.1	Very low	33.2	Very low	141 Å²	141	152.2 Å²	152.2	74%	0.738	76%	0.759	S	S	*	*				149.6	118.1	119.1	-78	160.4	0	0	0	112.2
40	L	31.5	Very low	33.5	Very low	145 Å²	145	147.1 Å²	147.1	76%	0.759	76%	0.755	S	S	*	*			trans	72.2	117.9	132.1	-60.8	173.2	0	0	0	121.8
41	S	34.3	Very low	33.7	Very low	92 Å²	92	143.5 Å²	143.5	64%	0.643	75%	0.746	S	S	*	*				93.4	115.5	117.6	73.9	0	0	0	0	121.1
42	N	32.7	Very low	33.7	Very low	152 Å²	152	139 Å²	139	81%	0.813	74%	0.739	S	S	*	*				55.7	114.4	120.5	-56.8	-20.6	0	0	0	120.9
43	V	36.7	Very low	33.6	Very low	133 Å²	133	134 Å²	134	81%	0.806	73%	0.729	S	S	*	*			trans	-154.1	98.1	134.7	-178.5	0	0	0	0	106.4
44	E	35.7	Very low	33.9	Very low	148 Å²	148	135.4 Å²	135.4	69%	0.692	73%	0.734	S	S	*	*				69.7	111.1	96	-71.5	-166.2	157.4	0	0	114.8
45	M	37	Very low	34.1	Very low	136 Å²	136	132.4 Å²	132.4	67%	0.67	73%	0.731	S	S	*	*				72.6	139	96	-69.7	-160.1	-64.6	0	0	112.6
46	M	34.9	Very low	34.1	Very low	129 Å²	129	130 Å²	130	64%	0.635	73%	0.731	S	S	*	*			cis	173.1	159.5	23.7	-123.9	167.7	167.9	0	0	110
47	F	34.4	Very low	34.4	Very low	171 Å²	171	132 Å²	132	75%	0.75	74%	0.736	S	S	*	*			trans	97.2	148.9	139.9	-73.7	-44.9	0	0	0	124.9
48	P	40	Very low	34.7	Very low	104 Å²	104	130.5 Å²	130.5	68%	0.675	74%	0.737	S	S	*	*			trans	-138.4	-174.4	-132.4	40.8	-17.2	0	0	0	117.3
49	S	33.9	Very low	34.9	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	74%	0.744	S	S	*	*			trans	30.8	119.6	150.3	-52.6	0	0	0	0	124.3
50	V	37.4	Very low	35.3	Very low	138 Å²	138	131.4 Å²	131.4	84%	0.836	75%	0.747	S	S	*	*			trans	-152.3	107.4	151.2	-176.4	0	0	0	0	106.8
51	V	35.4	Very low	35.8	Very low	117 Å²	117	131.7 Å²	131.7	71%	0.709	75%	0.748	S	S	*	*				76.2	109.6	65.1	-178.9	0	0	0	0	115
52	L	33.1	Very low	35.9	Very low	145 Å²	145	132.1 Å²	132.1	76%	0.759	75%	0.749	S	S	*	*			trans	89.9	119.1	143.4	-107.5	74.3	0	0	0	124.2
53	L	31.2	Very low	35.9	Very low	132 Å²	132	130.7 Å²	130.7	69%	0.691	75%	0.745	S	S	*	*				67.8	107.5	125.1	-93.3	168.6	0	0	0	122.4
54	T	36.8	Very low	35.9	Very low	132 Å²	132	132.3 Å²	132.3	81%	0.81	75%	0.749	S	S	*	*			trans	-164.4	96.2	137.4	44.8	0	0	0	0	109.7
55	L	37.1	Very low	35.7	Very low	141 Å²	141	129.1 Å²	129.1	74%	0.738	75%	0.748	S	S	*	*				74.6	103.9	89.8	-73.3	168	0	0	0	114.5
56	C	32.7	Very low	35.6	Very low	110 Å²	110	130 Å²	130	74%	0.743	76%	0.761	S	S	*	*				91.3	118.9	95.3	-98.4	0	0	0	0	115
57	L	36.5	Very low	35.4	Very low	165 Å²	165	127 Å²	127	86%	0.864	76%	0.762	S	S	*	*				172.6	134.2	125.9	-92	154.9	0	0	0	113
58	C	36.3	Very low	35.2	Very low	113 Å²	113	124 Å²	124	76%	0.764	77%	0.769	S	S	*	*			trans	71	93.6	162.5	-51.6	0	0	0	0	116
59	A	34.1	Very low	35	Very low	91 Å²	91	124.3 Å²	124.3	75%	0.752	77%	0.774	S	S	*	*				39.5	104.5	50.3	0	0	0	0	0	112.7
60	L	39.2	Very low	34.9	Very low	155 Å²	155	127.2 Å²	127.2	81%	0.812	78%	0.781	S	S	*	*			trans	171.7	123.5	132.9	-87.5	168.2	0	0	0	110.4
61	I	42.1	Very low	35.1	Very low	151 Å²	151	123.9 Å²	123.9	77%	0.774	77%	0.774	S	S	*	*			trans	88.2	139	137.6	-65.4	169.5	0	0	0	117.6
62	P	36.2	Very low	35.6	Very low	102 Å²	102	125.3 Å²	125.3	66%	0.662	78%	0.778	S	S	*	*				-127.2	-177	-124.4	42.3	-27.8	0	0	0	114.3
63	T	32.9	Very low	36.4	Very low	121 Å²	121	123.3 Å²	123.3	74%	0.742	77%	0.767	S	S	*	*			trans	19.4	121.7	144.5	57.5	0	0	0	0	118.1
64	L	36.4	Very low	37.8	Very low	168 Å²	168	122 Å²	122	88%	0.88	77%	0.769	S	S	*	*			trans	176.4	98.7	143.3	-91.6	158.2	0	0	0	105.3
65	A	32.6	Very low	39.5	Very low	81 Å²	81	116.5 Å²	116.5	67%	0.669	74%	0.736	S	S	*	*				66.8	136.7	86	0	0	0	0	0	113.8
66	V	34.1	Very low	41.2	Very low	155 Å²	155	113.7 Å²	113.7	94%	0.939	73%	0.727	S	S	*	*			trans	80.6	116.6	175.7	-162	0	0	0	0	112.2
67	G	30.2	Very low	43.1	Very low	64 Å²	64	115.3 Å²	115.3	66%	0.66	73%	0.732	S	S	*	*			cis	136.5	148.2	25.1	0	0	0	0	0	107.2
68	A	29.9	Very low	44.7	Very low	110 Å²	110	113 Å²	113	91%	0.909	72%	0.721	S	S	*	*			trans	80.2	129.9	177.5	0	0	0	0	0	115.6
69	S	36.5	Very low	46.9	Very low	110 Å²	110	110.5 Å²	110.5	77%	0.769	70%	0.7	S	S	*	*			cis	-152.4	133.9	8.1	52	0	0	0	0	109.5	G71	S69-G71 PolarHBondContact O-N 2.88Å
70	N	32.7	Very low	49.2	Very low	170 Å²	170	109.3 Å²	109.3	91%	0.909	68%	0.678	S	S	*	*			trans	-51.6	107.2	166	-71.4	-15.4	0	0	0	109.9
71	G	40.9	Very low	51.4	Low	68 Å²	68	103.8 Å²	103.8	70%	0.701	66%	0.655	S	S	*	*			trans	-85.1	105.4	152.5	0	0	0	0	0	105.7	S69 L73	S69-G71 PolarHBondContact O-N 2.88Å; G71-L73 PolarHBondContact O-N 3.1Å
72	D	45	Very low	53.6	Low	148 Å²	148	96.6 Å²	96.6	79%	0.791	62%	0.618	S	S	*	*			trans	-52.1	103.5	175.5	-132.3	-12	0	0	0	107.8	S74	D72-S74 PolarHBondContact O-N 3.34Å
73	L	51.1	Low	55.8	Low	102 Å²	102	96.5 Å²	96.5	53%	0.534	62%	0.617	S	S	.	*			trans	-76.7	74.9	176.7	-165.4	82.6	0	0	0	106.9	G71 C75 A81	G71-L73 PolarHBondContact O-N 3.1Å; L73-C75 PolarHBondContact O-N 3.41Å; L73-A81 HydrophobicContact CD2-CB 4.24Å
74	S	59.8	Low	58	Low	104 Å²	104	94.3 Å²	94.3	73%	0.727	61%	0.607	S	S	*	*			trans	-79.1	95.7	178.7	162.4	0	0	0	0	108.5	D72	D72-S74 PolarHBondContact O-N 3.34Å
75	C	73.8	Confident	60	Low	18 Å²	18	88.2 Å²	88.2	12%	0.122	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-62.4	151.9	160.9	-68	0	0	0	0	110.1	L73 N79 A81 C87	L73-C75 PolarHBondContact O-N 3.41Å; C75-N79 HydrophobicContact CB-CB 3.85Å; C75-A81 HydrophobicContact CB-CB 4.45Å; C75-A81 WeakPolarHBondContact SG-CA 3.37Å; C75-A81 WeakPolarHBondContact SG-CB 3.44Å; C75-C87 VanDerWaalsContact CA-SG 3.55Å; C75-C87 HydrophobicContact CB-CB 3.85Å; C75-C87 WeakPolarHBondContact CB-SG 3.42Å; C75-C87 VanDerWaalsContact SG-CA 3.6Å; C75-C87 WeakPolarHBondContact SG-CB 3.22Å; C75-C87 CovalentContact SG-SG 2.03Å; C75-C87 PolarHBondContact SG-SG 2.82Å
76	P	71.5	Confident	62.3	Low	82 Å²	82	90.7 Å²	90.7	53%	0.532	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-53.5	151.9	173.5	-22.3	31.8	0	0	0	111.8	N78 N79	P76-N78 PolarHBondContact O-N 3.14Å; P76-N79 PolarHBondContact O-N 3.3Å
77	V	72.7	Confident	64.8	Low	143 Å²	143	85.8 Å²	85.8	87%	0.867	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	131	176	-164	0	0	0	0	109.1
78	N	71	Confident	67.4	Low	117 Å²	117	82.8 Å²	82.8	63%	0.626	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	12.9	-170.2	-69.2	-10.6	0	0	0	118.3	P76 R90	P76-N78 PolarHBondContact O-N 3.14Å; N78-R90 WeakPolarHBondContact O-CB 3.09Å; N78-R90 PolarHBondContact O-N 3.32Å
79	N	81.9	Confident	69.9	Low	60 Å²	60	79.2 Å²	79.2	32%	0.321	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.9	168.5	-70.1	6.1	0	0	0	112	C75 P76 C87 I88	C75-N79 HydrophobicContact CB-CB 3.85Å; P76-N79 PolarHBondContact O-N 3.3Å; N79-C87 HydrophobicContact CB-CB 4.23Å; N79-I88 CarbonylContact C-O 3.47Å; N79-I88 WeakPolarHBondContact CA-O 3.43Å; N79-I88 VanDerWaalsContact CB-O 3.27Å; N79-I88 WeakPolarHBondContact CB-O 3.5Å
80	F	83.3	Confident	71.9	Confident	66 Å²	66	81.9 Å²	81.9	29%	0.289	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.6	169.1	175.7	-102.1	0	0	0	110.6	C87 I88 T93 D105	F80-C87 CarbonylContact O-C 3.6Å; F80-C87 WeakPolarHBondContact O-CA 3.34Å; F80-I88 HydrophobicContact CB-CD1 4.48Å; F80-I88 HydrophobicContact CB-CG1 3.91Å; F80-I88 HydrophobicContact CD1-CD1 3.93Å; F80-I88 HydrophobicContact CD1-CG1 3.95Å; F80-I88 HydrophobicContact CG-CG1 4.44Å; F80-I88 PolarHBondContact N-O 3.21Å; F80-I88 PolarHBondContact O-N 3.27Å; F80-T93 HydrophobicContact CB-CG2 3.21Å; F80-T93 HydrophobicContact CD1-CG2 3.49Å; F80-T93 VanDerWaalsContact CD1-CG2 3.49Å; F80-T93 HydrophobicContact CD2-CG2 3.45Å; F80-T93 VanDerWaalsContact CD2-CG2 3.45Å; F80-T93 HydrophobicContact CE1-CG2 4.12Å; F80-T93 HydrophobicContact CE2-CG2 4.08Å; F80-T93 HydrophobicContact CG-CG2 3.1Å; F80-T93 HydrophobicContact CZ-CG2 4.37Å; F80-D105 HydrophobicContact CD1-CB 4.37Å; F80-D105 HydrophobicContact CE1-CB 4.17Å
81	A	85.7	Confident	74.1	Confident	39 Å²	39	79.8 Å²	79.8	32%	0.322	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	107.3	179.5	0	0	0	0	0	110	L73 C75	L73-A81 HydrophobicContact CD2-CB 4.24Å; C75-A81 HydrophobicContact CB-CB 4.45Å; C75-A81 WeakPolarHBondContact SG-CA 3.37Å; C75-A81 WeakPolarHBondContact SG-CB 3.44Å
82	C	87.1	Confident	76	Confident	1 Å²	1	81 Å²	81	1%	0.007	45%	0.446	C	S	.	.			trans	-65.5	146.4	171.5	-56.5	0	0	0	0	110.4	S84 G85 R86 C100	C82-S84 WeakPolarHBondContact CB-OG 3.41Å; C82-S84 PolarHBondContact O-N 3.32Å; C82-S84 VanDerWaalsContact O-N 3.11Å; C82-G85 PolarHBondContact O-N 2.86Å; C82-R86 HydrophobicContact CB-CB 4.1Å; C82-R86 WeakPolarHBondContact CB-O 3.38Å; C82-R86 PolarHBondContact N-O 3.24Å; C82-R86 PolarHBondContact SG-O 3.15Å; C82-C100 VanDerWaalsContact CA-SG 3.53Å; C82-C100 HydrophobicContact CB-CB 3.57Å; C82-C100 WeakPolarHBondContact CB-SG 3.5Å; C82-C100 WeakPolarHBondContact SG-CA 3.27Å; C82-C100 WeakPolarHBondContact SG-CB 3.23Å; C82-C100 CovalentContact SG-SG 2.02Å; C82-C100 PolarHBondContact SG-SG 3.23Å
83	P	82.3	Confident	77.7	Confident	99 Å²	99	75.5 Å²	75.5	64%	0.643	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.2	174.8	-22.8	33.3	0	0	0	113.3	G85 A104	P83-G85 PolarHBondContact O-N 3.11Å; P83-A104 HydrophobicContact CG-CB 3.39Å
84	S	79	Confident	79	Confident	76 Å²	76	72.3 Å²	72.3	53%	0.531	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.9	173.6	58.7	0	0	0	0	114.4	C82 C100	C82-S84 WeakPolarHBondContact CB-OG 3.41Å; C82-S84 PolarHBondContact O-N 3.32Å; C82-S84 VanDerWaalsContact O-N 3.11Å; S84-C100 PolarHBondContact OG-O 3.41Å
85	G	79	Confident	79.6	Confident	39 Å²	39	69 Å²	69	40%	0.402	38%	0.378	S	S	.	.	S	Bend	trans	94	-5.5	-174.8	0	0	0	0	0	114.4	C82 P83	C82-G85 PolarHBondContact O-N 2.86Å; P83-G85 PolarHBondContact O-N 3.11Å
86	R	81.7	Confident	79.4	Confident	133 Å²	133	70.4 Å²	70.4	50%	0.502	40%	0.396	S	S	.	.			trans	-75.4	135.5	176.7	-170.3	-179.4	-171.8	-172.5	1.8	110.1	C82 I88 D99	C82-R86 HydrophobicContact CB-CB 4.1Å; C82-R86 WeakPolarHBondContact CB-O 3.38Å; C82-R86 PolarHBondContact N-O 3.24Å; C82-R86 PolarHBondContact SG-O 3.15Å; R86-I88 HydrophobicContact CG-CG2 4.37Å; R86-D99 PolarHBondContact NH1-O 2.83Å
87	C	86.5	Confident	79.7	Confident	52 Å²	52	72.9 Å²	72.9	35%	0.351	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.7	169.5	-62.8	0	0	0	0	109.1	C75 N79 F80	C75-C87 VanDerWaalsContact CA-SG 3.55Å; C75-C87 HydrophobicContact CB-CB 3.85Å; C75-C87 WeakPolarHBondContact CB-SG 3.42Å; C75-C87 VanDerWaalsContact SG-CA 3.6Å; C75-C87 WeakPolarHBondContact SG-CB 3.22Å; C75-C87 CovalentContact SG-SG 2.03Å; C75-C87 PolarHBondContact SG-SG 2.82Å; N79-C87 HydrophobicContact CB-CB 4.23Å; F80-C87 CarbonylContact O-C 3.6Å; F80-C87 WeakPolarHBondContact O-CA 3.34Å
88	I	84.3	Confident	80.3	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.5	172.5	63.1	170.7	0	0	0	109.1	N79 F80 R86 R90 W92 T93 D99 D105	N79-I88 CarbonylContact C-O 3.47Å; N79-I88 WeakPolarHBondContact CA-O 3.43Å; N79-I88 VanDerWaalsContact CB-O 3.27Å; N79-I88 WeakPolarHBondContact CB-O 3.5Å; F80-I88 HydrophobicContact CB-CD1 4.48Å; F80-I88 HydrophobicContact CB-CG1 3.91Å; F80-I88 HydrophobicContact CD1-CD1 3.93Å; F80-I88 HydrophobicContact CD1-CG1 3.95Å; F80-I88 HydrophobicContact CG-CG1 4.44Å; F80-I88 PolarHBondContact N-O 3.21Å; F80-I88 PolarHBondContact O-N 3.27Å; R86-I88 HydrophobicContact CG-CG2 4.37Å; I88-R90 PolarHBondContact O-N 2.88Å; I88-W92 HydrophobicContact CB-CB 4.42Å; I88-W92 HydrophobicContact CB-CE3 4.31Å; I88-W92 HydrophobicContact CD1-CB 4.06Å; I88-W92 WeakPolarHBondContact CD1-O 3.27Å; I88-T93 HydrophobicContact CD1-CG2 4.26Å; I88-D99 HydrophobicContact CB-CB 4.33Å; I88-D99 HydrophobicContact CD1-CB 3.9Å; I88-D99 HydrophobicContact CG2-CB 3.82Å; I88-D105 HydrophobicContact CD1-CB 3.43Å; I88-D105 VanDerWaalsContact CD1-CB 3.43Å
89	P	81.9	Confident	80.8	Confident	35 Å²	35	64.9 Å²	64.9	23%	0.227	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	139.5	171.1	-23.5	34.2	0	0	0	110.8	H91 W92	P89-H91 WeakPolarHBondContact CB-CE1 3Å; P89-H91 VanDerWaalsContact CB-ND1 3.28Å; P89-H91 WeakPolarHBondContact CB-ND1 3.26Å; P89-H91 PolarHBondContact O-N 3.17Å; P89-W92 HydrophobicContact CB-CD2 4.48Å; P89-W92 HydrophobicContact CB-CG 4.28Å; P89-W92 HydrophobicContact CG-CD2 4.01Å; P89-W92 HydrophobicContact CG-CE3 4.32Å; P89-W92 HydrophobicContact CG-CG 4.33Å; P89-W92 WeakPolarHBondContact O-CA 3.41Å; P89-W92 VanDerWaalsContact O-CB 3.32Å; P89-W92 WeakPolarHBondContact O-CB 3.42Å; P89-W92 PolarHBondContact O-N 3.09Å
90	R	78.5	Confident	81	Confident	165 Å²	165	62.3 Å²	62.3	62%	0.623	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.9	-177.2	-158.2	179.4	-174	177.8	3.1	113.6	N78 I88 W92 T93	N78-R90 WeakPolarHBondContact O-CB 3.09Å; N78-R90 PolarHBondContact O-N 3.32Å; I88-R90 PolarHBondContact O-N 2.88Å; R90-W92 VanDerWaalsContact C-N 3.32Å; R90-T93 PolarHBondContact O-OG1 2.86Å
91	H	78.6	Confident	80.8	Confident	127 Å²	127	62 Å²	62	59%	0.588	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.5	169.8	66.1	-85.2	0	0	0	112.9	P89	P89-H91 WeakPolarHBondContact CB-CE1 3Å; P89-H91 VanDerWaalsContact CB-ND1 3.28Å; P89-H91 WeakPolarHBondContact CB-ND1 3.26Å; P89-H91 PolarHBondContact O-N 3.17Å
92	W	81.6	Confident	80.7	Confident	92 Å²	92	63.3 Å²	63.3	35%	0.348	36%	0.356	S	S	.	.	S	Bend	trans	-93.3	6.5	171.3	-64.3	-0.3	0	0	0	112.5	I88 P89 R90 D95 D99	I88-W92 HydrophobicContact CB-CB 4.42Å; I88-W92 HydrophobicContact CB-CE3 4.31Å; I88-W92 HydrophobicContact CD1-CB 4.06Å; I88-W92 WeakPolarHBondContact CD1-O 3.27Å; P89-W92 HydrophobicContact CB-CD2 4.48Å; P89-W92 HydrophobicContact CB-CG 4.28Å; P89-W92 HydrophobicContact CG-CD2 4.01Å; P89-W92 HydrophobicContact CG-CE3 4.32Å; P89-W92 HydrophobicContact CG-CG 4.33Å; P89-W92 WeakPolarHBondContact O-CA 3.41Å; P89-W92 VanDerWaalsContact O-CB 3.32Å; P89-W92 WeakPolarHBondContact O-CB 3.42Å; P89-W92 PolarHBondContact O-N 3.09Å; R90-W92 VanDerWaalsContact C-N 3.32Å; W92-D95 WeakPolarHBondContact CA-OD2 3.39Å; W92-D99 HydrophobicContact CB-CB 4.38Å; W92-D99 WeakPolarHBondContact CB-OD2 3.17Å; W92-D99 HydrophobicContact CE3-CB 3.85Å; W92-D99 VanDerWaalsContact CE3-OD1 3.28Å
93	T	81	Confident	80.5	Confident	33 Å²	33	67 Å²	67	20%	0.202	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	131.5	163.3	47.9	0	0	0	0	108.7	F80 I88 R90 D95 D105	F80-T93 HydrophobicContact CB-CG2 3.21Å; F80-T93 HydrophobicContact CD1-CG2 3.49Å; F80-T93 VanDerWaalsContact CD1-CG2 3.49Å; F80-T93 HydrophobicContact CD2-CG2 3.45Å; F80-T93 VanDerWaalsContact CD2-CG2 3.45Å; F80-T93 HydrophobicContact CE1-CG2 4.12Å; F80-T93 HydrophobicContact CE2-CG2 4.08Å; F80-T93 HydrophobicContact CG-CG2 3.1Å; F80-T93 HydrophobicContact CZ-CG2 4.37Å; I88-T93 HydrophobicContact CD1-CG2 4.26Å; R90-T93 PolarHBondContact O-OG1 2.86Å; T93-D95 VanDerWaalsContact C-N 3.28Å; T93-D105 HydrophobicContact CG2-CB 4.38Å
94	C	77.2	Confident	80.7	Confident	36 Å²	36	62.8 Å²	62.8	24%	0.243	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	37.9	-178.2	-50.7	0	0	0	0	111.8	D105 E106 C109 R112	C94-D105 PolarHBondContact N-O 2.87Å; C94-D105 VanDerWaalsContact N-O 3.07Å; C94-E106 WeakPolarHBondContact CA-OE1 3.29Å; C94-E106 PolarHBondContact N-OE1 3.21Å; C94-C109 WeakPolarHBondContact CA-SG 3.15Å; C94-C109 HydrophobicContact CB-CB 3.6Å; C94-C109 WeakPolarHBondContact CB-SG 3.42Å; C94-C109 WeakPolarHBondContact SG-CA 3.29Å; C94-C109 WeakPolarHBondContact SG-CB 3.39Å; C94-C109 CovalentContact SG-SG 2.01Å; C94-C109 PolarHBondContact SG-SG 2.01Å; C94-R112 WeakPolarHBondContact O-CD 3.48Å; C94-R112 WeakPolarHBondContact O-CG 3.47Å; C94-R112 PolarHBondContact O-NE 2.02Å
95	D	72.8	Confident	80.9	Confident	33 Å²	33	59.3 Å²	59.3	18%	0.176	33%	0.325	C	S	.	.	S	Bend	trans	-103.1	8.8	174.9	84.6	-8.2	0	0	0	113.1	W92 T93 E97 E106 R112	W92-D95 WeakPolarHBondContact CA-OD2 3.39Å; T93-D95 VanDerWaalsContact C-N 3.28Å; D95-E97 PolarHBondContact O-N 3.26Å; D95-E97 PolarHBondContact OD1-N 2.94Å; D95-E106 PolarHBondContact N-OE1 2.04Å; D95-R112 PolarHBondContact O-NH1 3.29Å; D95-R112 PolarHBondContact O-NH2 2.89Å
96	G	70.8	Confident	81.1	Confident	48 Å²	48	59.8 Å²	59.8	50%	0.495	32%	0.317	S	S	.	.	S	Bend	trans	71.9	-0.3	176.7	0	0	0	0	0	114.2	E106	G96-E106 WeakPolarHBondContact CA-OE2 2.93Å; G96-E106 PolarHBondContact N-OE1 3.08Å; G96-E106 PolarHBondContact N-OE2 3.45Å
97	E	77.7	Confident	81.1	Confident	135 Å²	135	60.4 Å²	60.4	63%	0.631	32%	0.323	S	S	*	.	S	Bend	trans	-103.5	155.3	170.5	-58.7	-154	169.9	0	0	110.3	D95 D99 E106	D95-E97 PolarHBondContact O-N 3.26Å; D95-E97 PolarHBondContact OD1-N 2.94Å; E97-D99 PolarHBondContact O-N 2.95Å; E97-E106 WeakPolarHBondContact O-CG 3.36Å
98	N	83.5	Confident	80.5	Confident	71 Å²	71	61.7 Å²	61.7	38%	0.38	35%	0.345	S	S	.	.			trans	-95.6	76.5	-179.8	-176.4	-5.6	0	0	0	109.8	G101 D102 D103	N98-G101 WeakPolarHBondContact OD1-CA 3.16Å; N98-G101 PolarHBondContact OD1-N 2.96Å; N98-D102 PolarHBondContact OD1-N 3.38Å; N98-D102 VanDerWaalsContact OD1-N 3.16Å; N98-D103 WeakPolarHBondContact CB-OD1 3.1Å; N98-D103 PolarHBondContact ND2-OD1 3.2Å; N98-D103 PolarHBondContact OD1-N 2.9Å
99	D	83	Confident	79.8	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.112	36%	0.36	C	S	.	.	S	Bend	trans	-76.6	-26.1	178.2	-67	-64.1	0	0	0	113.1	R86 I88 W92 E97 G101 D105	R86-D99 PolarHBondContact NH1-O 2.83Å; I88-D99 HydrophobicContact CB-CB 4.33Å; I88-D99 HydrophobicContact CD1-CB 3.9Å; I88-D99 HydrophobicContact CG2-CB 3.82Å; W92-D99 HydrophobicContact CB-CB 4.38Å; W92-D99 WeakPolarHBondContact CB-OD2 3.17Å; W92-D99 HydrophobicContact CE3-CB 3.85Å; W92-D99 VanDerWaalsContact CE3-OD1 3.28Å; E97-D99 PolarHBondContact O-N 2.95Å; D99-G101 VanDerWaalsContact C-N 3.31Å; D99-G101 PolarHBondContact O-N 3.16Å; D99-D105 WeakPolarHBondContact CA-OD2 2.91Å; D99-D105 WeakPolarHBondContact CB-OD2 2.89Å; D99-D105 PolarHBondContact N-OD2 3.5Å
100	C	85.2	Confident	78.9	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.034	39%	0.391	C	S	.	.	S	Bend	trans	-75.8	-17.4	175.2	-77.7	0	0	0	0	114.4	C82 S84 D102 A104 D105	C82-C100 VanDerWaalsContact CA-SG 3.53Å; C82-C100 HydrophobicContact CB-CB 3.57Å; C82-C100 WeakPolarHBondContact CB-SG 3.5Å; C82-C100 WeakPolarHBondContact SG-CA 3.27Å; C82-C100 WeakPolarHBondContact SG-CB 3.23Å; C82-C100 CovalentContact SG-SG 2.02Å; C82-C100 PolarHBondContact SG-SG 3.23Å; S84-C100 PolarHBondContact OG-O 3.41Å; C100-D102 VanDerWaalsContact CB-OD1 3.23Å; C100-D102 WeakPolarHBondContact CB-OD1 3.35Å; C100-D102 PolarHBondContact O-N 3.36Å; C100-A104 HydrophobicContact CB-CB 4.12Å; C100-D105 HydrophobicContact CB-CB 4.29Å; C100-D105 PolarHBondContact N-OD2 2.78Å
101	G	80.3	Confident	77.9	Confident	60 Å²	60	67.3 Å²	67.3	62%	0.619	39%	0.39	S	S	*	.	S	Bend	trans	79	-12.7	-173	0	0	0	0	0	114.3	N98 D99	N98-G101 WeakPolarHBondContact OD1-CA 3.16Å; N98-G101 PolarHBondContact OD1-N 2.96Å; D99-G101 VanDerWaalsContact C-N 3.31Å; D99-G101 PolarHBondContact O-N 3.16Å
102	D	83.3	Confident	77	Confident	66 Å²	66	63.4 Å²	63.4	35%	0.353	37%	0.37	S	S	.	.	S	Bend	trans	-125.2	17.5	179.8	67.3	-14.5	0	0	0	114.1	N98 C100 A104 K107	N98-D102 PolarHBondContact OD1-N 3.38Å; N98-D102 VanDerWaalsContact OD1-N 3.16Å; C100-D102 VanDerWaalsContact CB-OD1 3.23Å; C100-D102 WeakPolarHBondContact CB-OD1 3.35Å; C100-D102 PolarHBondContact O-N 3.36Å; D102-A104 PolarHBondContact O-N 3.41Å; D102-A104 WeakPolarHBondContact OD1-CB 3.35Å; D102-A104 PolarHBondContact OD1-N 3.13Å; D102-K107 PolarHBondContact O-NZ 2.67Å
103	D	81.6	Confident	76.2	Confident	79 Å²	79	65.2 Å²	65.2	42%	0.422	39%	0.392	S	S	.	.	S	Bend	trans	54.3	28.1	-175.2	-77.5	-20.4	0	0	0	112.9	N98 K107	N98-D103 WeakPolarHBondContact CB-OD1 3.1Å; N98-D103 PolarHBondContact ND2-OD1 3.2Å; N98-D103 PolarHBondContact OD1-N 2.9Å; D103-K107 WeakPolarHBondContact O-CD 2.97Å; D103-K107 WeakPolarHBondContact O-CE 3.02Å; D103-K107 VanDerWaalsContact O-CG 3.27Å; D103-K107 WeakPolarHBondContact O-CG 3.42Å
104	A	87.3	Confident	75.9	Confident	11 Å²	11	65.2 Å²	65.2	9%	0.091	39%	0.393	C	S	.	.			trans	-78.4	-30.4	-178.7	0	0	0	0	0	113.7	P83 C100 D102 E106 K107	P83-A104 HydrophobicContact CG-CB 3.39Å; C100-A104 HydrophobicContact CB-CB 4.12Å; D102-A104 PolarHBondContact O-N 3.41Å; D102-A104 WeakPolarHBondContact OD1-CB 3.35Å; D102-A104 PolarHBondContact OD1-N 3.13Å; A104-E106 VanDerWaalsContact C-N 3.3Å; A104-K107 PolarHBondContact O-N 3.25Å
105	D	83	Confident	75.6	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.011	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.9	169	46.2	-12.9	0	0	0	114	F80 I88 T93 C94 D99 C100	F80-D105 HydrophobicContact CD1-CB 4.37Å; F80-D105 HydrophobicContact CE1-CB 4.17Å; I88-D105 HydrophobicContact CD1-CB 3.43Å; I88-D105 VanDerWaalsContact CD1-CB 3.43Å; T93-D105 HydrophobicContact CG2-CB 4.38Å; C94-D105 PolarHBondContact N-O 2.87Å; C94-D105 VanDerWaalsContact N-O 3.07Å; D99-D105 WeakPolarHBondContact CA-OD2 2.91Å; D99-D105 WeakPolarHBondContact CB-OD2 2.89Å; D99-D105 PolarHBondContact N-OD2 3.5Å; C100-D105 HydrophobicContact CB-CB 4.29Å; C100-D105 PolarHBondContact N-OD2 2.78Å
106	E	83.9	Confident	75.7	Confident	50 Å²	50	73.2 Å²	73.2	23%	0.234	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.7	179	-63	-53.5	114.5	0	0	113.8	C94 D95 G96 E97 A104	C94-E106 WeakPolarHBondContact CA-OE1 3.29Å; C94-E106 PolarHBondContact N-OE1 3.21Å; D95-E106 PolarHBondContact N-OE1 2.04Å; G96-E106 WeakPolarHBondContact CA-OE2 2.93Å; G96-E106 PolarHBondContact N-OE1 3.08Å; G96-E106 PolarHBondContact N-OE2 3.45Å; E97-E106 WeakPolarHBondContact O-CG 3.36Å; A104-E106 VanDerWaalsContact C-N 3.3Å
107	K	80.5	Confident	75.9	Confident	145 Å²	145	75.4 Å²	75.4	63%	0.63	44%	0.444	S	S	*	.	S	Bend	trans	-95.3	129.8	177.6	-80.1	167.8	-167.1	152.1	0	111.8	D102 D103 A104	D102-K107 PolarHBondContact O-NZ 2.67Å; D103-K107 WeakPolarHBondContact O-CD 2.97Å; D103-K107 WeakPolarHBondContact O-CE 3.02Å; D103-K107 VanDerWaalsContact O-CG 3.27Å; D103-K107 WeakPolarHBondContact O-CG 3.42Å; A104-K107 PolarHBondContact O-N 3.25Å
108	G	74.2	Confident	76.1	Confident	80 Å²	80	72.3 Å²	72.3	83%	0.825	43%	0.429	S	S	*	.	S	Bend	trans	88.1	16.8	173.3	0	0	0	0	0	114.7	E110	G108-E110 PolarHBondContact O-N 3.35Å; G108-E110 VanDerWaalsContact O-N 3.15Å
109	C	69.9	Low	76.2	Confident	48 Å²	48	70 Å²	70	32%	0.324	42%	0.416	S	S	.	.			trans	-70.1	104.5	178.4	-57.5	0	0	0	0	111.7	C94 S111	C94-C109 WeakPolarHBondContact CA-SG 3.15Å; C94-C109 HydrophobicContact CB-CB 3.6Å; C94-C109 WeakPolarHBondContact CB-SG 3.42Å; C94-C109 WeakPolarHBondContact SG-CA 3.29Å; C94-C109 WeakPolarHBondContact SG-CB 3.39Å; C94-C109 CovalentContact SG-SG 2.01Å; C94-C109 PolarHBondContact SG-SG 2.01Å; C109-S111 PolarHBondContact O-N 3.47Å
110	E	62.4	Low	76.2	Confident	186 Å²	186	72.1 Å²	72.1	87%	0.869	42%	0.424	S	S	*	.			trans	-71.1	115.7	164	-74.2	-172.8	161.1	0	0	108.5	G108	G108-E110 PolarHBondContact O-N 3.35Å; G108-E110 VanDerWaalsContact O-N 3.15Å
111	S	57.8	Low	76.3	Confident	86 Å²	86	71.9 Å²	71.9	60%	0.601	42%	0.422	S	S	*	.	S	Bend	trans	19.7	96.8	177.8	70.8	0	0	0	0	116.1	C109 T113	C109-S111 PolarHBondContact O-N 3.47Å; S111-T113 PolarHBondContact O-N 3.07Å
112	R	59.9	Low	76.3	Confident	44 Å²	44	73.6 Å²	73.6	17%	0.166	42%	0.417	C	S	.	.			trans	-41.5	125.9	172.9	-133.6	-171	174.6	-179.1	-40.3	112.2	C94 D95 K120 N125	C94-R112 WeakPolarHBondContact O-CD 3.48Å; C94-R112 WeakPolarHBondContact O-CG 3.47Å; C94-R112 PolarHBondContact O-NE 2.02Å; D95-R112 PolarHBondContact O-NH1 3.29Å; D95-R112 PolarHBondContact O-NH2 2.89Å; R112-K120 VanDerWaalsContact O-CD 3.31Å; R112-K120 WeakPolarHBondContact O-CD 3.33Å; R112-K120 WeakPolarHBondContact O-CE 3.42Å; R112-K120 PolarHBondContact O-NZ 3.17Å; R112-N125 HydrophobicContact CB-CB 3.8Å; R112-N125 WeakPolarHBondContact CD-O 3.06Å
113	T	65.3	Low	76	Confident	131 Å²	131	77.4 Å²	77.4	80%	0.804	43%	0.432	S	S	*	.			trans	-103.3	110.4	173	38.5	0	0	0	0	109	S111	S111-T113 PolarHBondContact O-N 3.07Å
114	C	73.9	Confident	75.6	Confident	33 Å²	33	77 Å²	77	22%	0.223	43%	0.43	C	S	.	.			trans	-77	157.1	175.2	-53.9	0	0	0	0	111.3	E118 K120 C127	C114-E118 HydrophobicContact CB-CB 3.76Å; C114-K120 HydrophobicContact CB-CB 4.43Å; C114-K120 WeakPolarHBondContact SG-CB 3.44Å; C114-C127 WeakPolarHBondContact CA-SG 3.04Å; C114-C127 HydrophobicContact CB-CB 3.72Å; C114-C127 WeakPolarHBondContact CB-SG 3.36Å; C114-C127 VanDerWaalsContact SG-CA 3.53Å; C114-C127 WeakPolarHBondContact SG-CB 3.22Å; C114-C127 CovalentContact SG-SG 2.03Å; C114-C127 PolarHBondContact SG-SG 2.81Å
115	Q	71.9	Confident	74.9	Confident	131 Å²	131	79.3 Å²	79.3	61%	0.612	44%	0.441	S	S	*	.			trans	-67.1	164.1	174.6	-61.6	-151.2	-11.6	0	0	111.7	N117 E118	Q115-N117 VanDerWaalsContact CB-OD1 3.29Å; Q115-N117 WeakPolarHBondContact CB-OD1 3Å; Q115-N117 PolarHBondContact O-N 2.97Å; Q115-N117 VanDerWaalsContact O-N 3.08Å; Q115-E118 HydrophobicContact CB-CG 4.24Å; Q115-E118 PolarHBondContact N-OE2 3.02Å; Q115-E118 PolarHBondContact O-N 3.28Å
116	A	73.9	Confident	74.6	Confident	105 Å²	105	83.5 Å²	83.5	87%	0.868	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.4	-175.7	0	0	0	0	0	114.3	L130	A116-L130 WeakPolarHBondContact O-CD1 3.41Å
117	N	75.9	Confident	74.6	Confident	95 Å²	95	82.3 Å²	82.3	51%	0.508	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.9	176.3	59.9	-38.9	0	0	0	113	Q115 L130	Q115-N117 VanDerWaalsContact CB-OD1 3.29Å; Q115-N117 WeakPolarHBondContact CB-OD1 3Å; Q115-N117 PolarHBondContact O-N 2.97Å; Q115-N117 VanDerWaalsContact O-N 3.08Å; N117-L130 WeakPolarHBondContact O-CB 3.49Å; N117-L130 PolarHBondContact O-N 3.18Å
118	E	82.4	Confident	74.7	Confident	70 Å²	70	75.7 Å²	75.7	33%	0.327	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.1	180	-67.2	173.9	163.7	0	0	111.4	C114 Q115 C127 I128	C114-E118 HydrophobicContact CB-CB 3.76Å; Q115-E118 HydrophobicContact CB-CG 4.24Å; Q115-E118 PolarHBondContact N-OE2 3.02Å; Q115-E118 PolarHBondContact O-N 3.28Å; E118-C127 HydrophobicContact CB-CB 4.27Å; E118-I128 CarbonylContact C-O 3.31Å; E118-I128 WeakPolarHBondContact CA-O 3.04Å; E118-I128 WeakPolarHBondContact CB-O 3.4Å
119	F	84	Confident	75	Confident	22 Å²	22	74.4 Å²	74.4	10%	0.096	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.2	171	174.2	-105.5	0	0	0	110.4	C127 I128 Q133 D145 L150	F119-C127 WeakPolarHBondContact O-CA 3.47Å; F119-I128 HydrophobicContact CB-CG1 4.01Å; F119-I128 HydrophobicContact CD1-CD1 3.97Å; F119-I128 HydrophobicContact CD1-CG1 3.94Å; F119-I128 HydrophobicContact CG-CG1 4.49Å; F119-I128 PolarHBondContact N-O 2.03Å; F119-I128 PolarHBondContact O-N 2.87Å; F119-Q133 HydrophobicContact CB-CB 4.02Å; F119-Q133 HydrophobicContact CB-CG 4.27Å; F119-Q133 HydrophobicContact CD1-CB 4.41Å; F119-Q133 HydrophobicContact CD1-CG 4.15Å; F119-Q133 HydrophobicContact CD2-CG 4.02Å; F119-Q133 HydrophobicContact CG-CB 4.09Å; F119-Q133 HydrophobicContact CG-CG 3.84Å; F119-D145 HydrophobicContact CD1-CB 4.07Å; F119-D145 VanDerWaalsContact CE1-CA 3.5Å; F119-D145 HydrophobicContact CE1-CB 3.99Å; F119-L150 HydrophobicContact CD2-CD2 4.13Å; F119-L150 HydrophobicContact CE1-CD2 4.1Å; F119-L150 HydrophobicContact CE2-CD1 4.08Å; F119-L150 HydrophobicContact CE2-CD2 3.3Å; F119-L150 HydrophobicContact CE2-CG 4.25Å; F119-L150 HydrophobicContact CZ-CD1 4.43Å; F119-L150 HydrophobicContact CZ-CD2 3.25Å; F119-L150 HydrophobicContact CZ-CG 4.46Å
120	K	84.3	Confident	75.5	Confident	66 Å²	66	75.2 Å²	75.2	29%	0.287	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.3	178.4	-171.9	179.7	174.2	-178.7	0	110.8	R112 C114 N125	R112-K120 VanDerWaalsContact O-CD 3.31Å; R112-K120 WeakPolarHBondContact O-CD 3.33Å; R112-K120 WeakPolarHBondContact O-CE 3.42Å; R112-K120 PolarHBondContact O-NZ 3.17Å; C114-K120 HydrophobicContact CB-CB 4.43Å; C114-K120 WeakPolarHBondContact SG-CB 3.44Å; K120-N125 WeakPolarHBondContact CE-OD1 3.49Å; K120-N125 PolarHBondContact NZ-OD1 2.9Å
121	C	85.8	Confident	76.2	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.392	C	S	.	.			trans	-57.8	139	173.2	-55.2	0	0	0	0	111.3	N124 N125 K126 C140	C121-N124 WeakPolarHBondContact CB-OD1 3.44Å; C121-N125 VanDerWaalsContact O-CA 3.31Å; C121-N125 WeakPolarHBondContact O-CA 3.48Å; C121-N125 PolarHBondContact O-N 3.24Å; C121-K126 HydrophobicContact CB-CB 4.12Å; C121-K126 WeakPolarHBondContact CB-O 3.42Å; C121-K126 PolarHBondContact N-O 3.26Å; C121-K126 PolarHBondContact SG-O 2.94Å; C121-C140 WeakPolarHBondContact CA-SG 3.31Å; C121-C140 HydrophobicContact CB-CB 3.62Å; C121-C140 WeakPolarHBondContact CB-SG 3.16Å; C121-C140 WeakPolarHBondContact SG-CA 3.33Å; C121-C140 WeakPolarHBondContact SG-CB 3.41Å; C121-C140 CovalentContact SG-SG 2.01Å; C121-C140 PolarHBondContact SG-SG 2.84Å
122	L	81.4	Confident	77.4	Confident	96 Å²	96	73.9 Å²	73.9	50%	0.503	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-34	-167.5	-97.6	112.2	0	0	0	113.4	S144	L122-S144 WeakPolarHBondContact CB-OG 2.86Å; L122-S144 VanDerWaalsContact N-CB 3.27Å; L122-S144 PolarHBondContact N-OG 2.96Å; L122-S144 VanDerWaalsContact N-OG 3.08Å
123	H	77.3	Confident	78.5	Confident	145 Å²	145	72.7 Å²	72.7	67%	0.671	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-41.4	-169.6	-56.3	-41.7	0	0	0	113.7	D142	H123-D142 WeakPolarHBondContact CA-OD2 3.47Å; H123-D142 HydrophobicContact CB-CB 4.37Å; H123-D142 WeakPolarHBondContact CB-OD2 3.49Å; H123-D142 IonicContact CG-OD2 2.77Å; H123-D142 PolarHBondContact N-OD2 2.9Å
124	N	73	Confident	79.3	Confident	70 Å²	70	67.1 Å²	67.1	37%	0.374	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.8	176.7	64	13	0	0	0	113.6	C121 K126 C140 D142	C121-N124 WeakPolarHBondContact CB-OD1 3.44Å; N124-K126 PolarHBondContact O-N 3.44Å; N124-K126 VanDerWaalsContact O-N 3.11Å; N124-K126 WeakPolarHBondContact OD1-CB 3.42Å; N124-K126 PolarHBondContact OD1-N 3.27Å; N124-C140 PolarHBondContact ND2-O 3Å; N124-D142 PolarHBondContact N-OD2 2.02Å; N124-D142 VanDerWaalsContact N-OD2 3.08Å
125	N	72.4	Confident	79.4	Confident	61 Å²	61	67.7 Å²	67.7	33%	0.326	35%	0.349	S	S	.	.			trans	56.3	14.7	-173.3	-61.6	-77.5	0	0	0	114	R112 K120 C121	R112-N125 HydrophobicContact CB-CB 3.8Å; R112-N125 WeakPolarHBondContact CD-O 3.06Å; K120-N125 WeakPolarHBondContact CE-OD1 3.49Å; K120-N125 PolarHBondContact NZ-OD1 2.9Å; C121-N125 VanDerWaalsContact O-CA 3.31Å; C121-N125 WeakPolarHBondContact O-CA 3.48Å; C121-N125 PolarHBondContact O-N 3.24Å
126	K	76.1	Confident	79.7	Confident	89 Å²	89	64.5 Å²	64.5	39%	0.387	35%	0.351	S	S	.	.			trans	-60.2	140.7	179.1	-171	-177	176.4	-162.3	0	110.6	C121 N124 I128 D139	C121-K126 HydrophobicContact CB-CB 4.12Å; C121-K126 WeakPolarHBondContact CB-O 3.42Å; C121-K126 PolarHBondContact N-O 3.26Å; C121-K126 PolarHBondContact SG-O 2.94Å; N124-K126 PolarHBondContact O-N 3.44Å; N124-K126 VanDerWaalsContact O-N 3.11Å; N124-K126 WeakPolarHBondContact OD1-CB 3.42Å; N124-K126 PolarHBondContact OD1-N 3.27Å; K126-I128 HydrophobicContact CD-CG2 4.38Å; K126-I128 HydrophobicContact CG-CG2 4.41Å; K126-D139 PolarHBondContact NZ-O 3.33Å
127	C	83.9	Confident	80	Confident	25 Å²	25	62.4 Å²	62.4	17%	0.169	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.4	173.8	-58.2	0	0	0	0	108	C114 E118 F119	C114-C127 WeakPolarHBondContact CA-SG 3.04Å; C114-C127 HydrophobicContact CB-CB 3.72Å; C114-C127 WeakPolarHBondContact CB-SG 3.36Å; C114-C127 VanDerWaalsContact SG-CA 3.53Å; C114-C127 WeakPolarHBondContact SG-CB 3.22Å; C114-C127 CovalentContact SG-SG 2.03Å; C114-C127 PolarHBondContact SG-SG 2.81Å; E118-C127 HydrophobicContact CB-CB 4.27Å; F119-C127 WeakPolarHBondContact O-CA 3.47Å
128	I	82.3	Confident	80.5	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	160.4	173.3	63.6	167.6	0	0	0	109	E118 F119 K126 L130 W132 D139 D145	E118-I128 CarbonylContact C-O 3.31Å; E118-I128 WeakPolarHBondContact CA-O 3.04Å; E118-I128 WeakPolarHBondContact CB-O 3.4Å; F119-I128 HydrophobicContact CB-CG1 4.01Å; F119-I128 HydrophobicContact CD1-CD1 3.97Å; F119-I128 HydrophobicContact CD1-CG1 3.94Å; F119-I128 HydrophobicContact CG-CG1 4.49Å; F119-I128 PolarHBondContact N-O 2.03Å; F119-I128 PolarHBondContact O-N 2.87Å; K126-I128 HydrophobicContact CD-CG2 4.38Å; K126-I128 HydrophobicContact CG-CG2 4.41Å; I128-L130 PolarHBondContact O-N 2.69Å; I128-W132 HydrophobicContact CB-CE3 4.39Å; I128-W132 HydrophobicContact CD1-CB 4Å; I128-D139 HydrophobicContact CD1-CB 3.9Å; I128-D139 HydrophobicContact CG2-CB 4.16Å; I128-D145 HydrophobicContact CD1-CB 3.5Å; I128-D145 WeakPolarHBondContact CD1-OD2 3.36Å
129	S	81	Confident	80.6	Confident	54 Å²	54	59.8 Å²	59.8	38%	0.378	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	140.8	175.6	-178.7	0	0	0	0	110.6	H131 W132	S129-H131 PolarHBondContact O-N 3.14Å; S129-H131 PolarHBondContact OG-N 3.13Å; S129-W132 WeakPolarHBondContact O-CB 3.37Å; S129-W132 PolarHBondContact O-N 3.01Å
130	L	80.1	Confident	80.5	Confident	64 Å²	64	58.8 Å²	58.8	34%	0.335	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.4	173.4	-106.4	157.4	0	0	0	112.8	A116 N117 I128 W132 K154	A116-L130 WeakPolarHBondContact O-CD1 3.41Å; N117-L130 WeakPolarHBondContact O-CB 3.49Å; N117-L130 PolarHBondContact O-N 3.18Å; I128-L130 PolarHBondContact O-N 2.69Å; L130-W132 VanDerWaalsContact C-N 3.31Å; L130-K154 PolarHBondContact O-NZ 2.91Å
131	H	77.3	Confident	80.4	Confident	122 Å²	122	58.4 Å²	58.4	57%	0.565	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.7	173.5	-162.3	-51.7	0	0	0	112.8	S129	S129-H131 PolarHBondContact O-N 3.14Å; S129-H131 PolarHBondContact OG-N 3.13Å
132	W	83.4	Confident	80.3	Confident	123 Å²	123	60.3 Å²	60.3	47%	0.466	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.8	-177.2	-64	0.8	0	0	0	112.6	I128 S129 L130 C134 D139	I128-W132 HydrophobicContact CB-CE3 4.39Å; I128-W132 HydrophobicContact CD1-CB 4Å; S129-W132 WeakPolarHBondContact O-CB 3.37Å; S129-W132 PolarHBondContact O-N 3.01Å; L130-W132 VanDerWaalsContact C-N 3.31Å; W132-C134 PolarHBondContact O-N 2.03Å; W132-D139 HydrophobicContact CB-CB 4.17Å; W132-D139 WeakPolarHBondContact CB-OD2 3.16Å; W132-D139 HydrophobicContact CD2-CB 4.46Å; W132-D139 HydrophobicContact CE3-CB 3.73Å; W132-D139 HydrophobicContact CZ3-CB 4.48Å
133	Q	82.7	Confident	80.4	Confident	19 Å²	19	59.8 Å²	59.8	9%	0.089	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	122.2	170.9	-172.4	-167.2	-7.8	0	0	109.9	F119 D135 L150 K154	F119-Q133 HydrophobicContact CB-CB 4.02Å; F119-Q133 HydrophobicContact CB-CG 4.27Å; F119-Q133 HydrophobicContact CD1-CB 4.41Å; F119-Q133 HydrophobicContact CD1-CG 4.15Å; F119-Q133 HydrophobicContact CD2-CG 4.02Å; F119-Q133 HydrophobicContact CG-CB 4.09Å; F119-Q133 HydrophobicContact CG-CG 3.84Å; Q133-D135 VanDerWaalsContact C-N 3.34Å; Q133-L150 HydrophobicContact CG-CD2 3.95Å; Q133-K154 PolarHBondContact O-NZ 3Å
134	C	83	Confident	80.9	Confident	14 Å²	14	53.2 Å²	53.2	10%	0.095	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	36.7	177.8	-48	0	0	0	0	113.8	W132 D145 E146 C151 K154	W132-C134 PolarHBondContact O-N 2.03Å; C134-D145 PolarHBondContact N-O 3.08Å; C134-D145 VanDerWaalsContact N-O 3.11Å; C134-D145 PolarHBondContact SG-O 2.96Å; C134-D145 VanDerWaalsContact SG-O 3.38Å; C134-E146 VanDerWaalsContact C-OE1 3.3Å; C134-E146 WeakPolarHBondContact CA-OE1 3.19Å; C134-E146 PolarHBondContact N-OE1 3.35Å; C134-E146 VanDerWaalsContact N-OE1 3.15Å; C134-C151 HydrophobicContact CB-CB 3.73Å; C134-C151 WeakPolarHBondContact CB-SG 3.32Å; C134-C151 WeakPolarHBondContact SG-CA 3.37Å; C134-C151 WeakPolarHBondContact SG-CB 3.48Å; C134-C151 CovalentContact SG-SG 2.02Å; C134-C151 PolarHBondContact SG-SG 2.75Å; C134-K154 HydrophobicContact CB-CD 4.39Å
135	D	76.3	Confident	81.5	Confident	44 Å²	44	49.9 Å²	49.9	24%	0.235	29%	0.289	C	S	.	.	S	Bend	trans	-94.3	-6.8	176	86.6	6.4	0	0	0	113.1	Q133 S137 E146	Q133-D135 VanDerWaalsContact C-N 3.34Å; D135-S137 WeakPolarHBondContact OD1-CB 3.04Å; D135-S137 PolarHBondContact OD1-N 2.91Å; D135-S137 PolarHBondContact OD1-OG 2.65Å; D135-E146 PolarHBondContact N-OE1 3.5Å
136	G	78	Confident	82.2	Confident	65 Å²	65	48.9 Å²	48.9	67%	0.67	28%	0.283	S	S	*	.	S	Bend	trans	98.1	1.9	-179.7	0	0	0	0	0	114.1	E146	G136-E146 WeakPolarHBondContact CA-OE2 3.18Å; G136-E146 PolarHBondContact N-OE1 3.11Å; G136-E146 PolarHBondContact N-OE2 2.84Å
137	S	79.9	Confident	82.5	Confident	60 Å²	60	47.6 Å²	47.6	42%	0.42	28%	0.28	S	S	.	.	S	Bend	trans	-114.5	145.7	180	-43.1	0	0	0	0	111	D135 D139 E146	D135-S137 WeakPolarHBondContact OD1-CB 3.04Å; D135-S137 PolarHBondContact OD1-N 2.91Å; D135-S137 PolarHBondContact OD1-OG 2.65Å; S137-D139 PolarHBondContact O-N 3.43Å; S137-D139 VanDerWaalsContact O-N 3.16Å; S137-E146 VanDerWaalsContact O-CG 3.3Å; S137-E146 WeakPolarHBondContact O-CG 3.47Å
138	D	85	Confident	82.3	Confident	74 Å²	74	51.2 Å²	51.2	40%	0.396	30%	0.303	S	S	.	.			trans	-84.1	81.1	174.5	-177.4	12.5	0	0	0	110.4	G141 D142 N143	D138-G141 WeakPolarHBondContact OD1-CA 3.15Å; D138-G141 PolarHBondContact OD1-N 2.99Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D138-D142 PolarHBondContact OD1-N 3.46Å; D138-N143 WeakPolarHBondContact CB-OD1 3.11Å; D138-N143 WeakPolarHBondContact OD1-CA 2.85Å; D138-N143 PolarHBondContact OD1-N 3.49Å
139	D	84.4	Confident	82.2	Confident	36 Å²	36	53.7 Å²	53.7	19%	0.193	32%	0.324	C	S	.	.	S	Bend	trans	-82.4	-25.7	178	-70.1	-61.7	0	0	0	112.4	K126 I128 W132 S137 G141 D145	K126-D139 PolarHBondContact NZ-O 3.33Å; I128-D139 HydrophobicContact CD1-CB 3.9Å; I128-D139 HydrophobicContact CG2-CB 4.16Å; W132-D139 HydrophobicContact CB-CB 4.17Å; W132-D139 WeakPolarHBondContact CB-OD2 3.16Å; W132-D139 HydrophobicContact CD2-CB 4.46Å; W132-D139 HydrophobicContact CE3-CB 3.73Å; W132-D139 HydrophobicContact CZ3-CB 4.48Å; S137-D139 PolarHBondContact O-N 3.43Å; S137-D139 VanDerWaalsContact O-N 3.16Å; D139-G141 VanDerWaalsContact C-N 3.3Å; D139-D145 WeakPolarHBondContact CA-OD2 3.15Å; D139-D145 WeakPolarHBondContact CB-OD2 3.14Å; D139-D145 PolarHBondContact N-OD2 2.97Å
140	C	83.9	Confident	82	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	32%	0.318	C	S	.	.	S	Bend	trans	-66.7	-30.4	170.8	-80.3	0	0	0	0	112.7	C121 N124 D142 D145	C121-C140 WeakPolarHBondContact CA-SG 3.31Å; C121-C140 HydrophobicContact CB-CB 3.62Å; C121-C140 WeakPolarHBondContact CB-SG 3.16Å; C121-C140 WeakPolarHBondContact SG-CA 3.33Å; C121-C140 WeakPolarHBondContact SG-CB 3.41Å; C121-C140 CovalentContact SG-SG 2.01Å; C121-C140 PolarHBondContact SG-SG 2.84Å; N124-C140 PolarHBondContact ND2-O 3Å; C140-D142 WeakPolarHBondContact CB-OD1 3.13Å; C140-D142 PolarHBondContact O-N 3.25Å; C140-D145 HydrophobicContact CB-CB 4.35Å; C140-D145 PolarHBondContact N-OD2 2.88Å; C140-D145 VanDerWaalsContact SG-CB 3.57Å
141	G	80.2	Confident	81.8	Confident	58 Å²	58	51 Å²	51	60%	0.598	31%	0.307	S	S	*	.	S	Bend	trans	74.2	-3.5	-170.8	0	0	0	0	0	114.1	D138 D139	D138-G141 WeakPolarHBondContact OD1-CA 3.15Å; D138-G141 PolarHBondContact OD1-N 2.99Å; D138-G141 WeakPolarHBondContact OD2-CA 3.37Å; D139-G141 VanDerWaalsContact C-N 3.3Å
142	D	83.9	Confident	81.5	Confident	41 Å²	41	53 Å²	53	22%	0.219	32%	0.316	C	S	.	.	S	Bend	trans	-121.3	6.7	170.9	68.4	10.2	0	0	0	112.2	H123 N124 D138 C140 S144	H123-D142 WeakPolarHBondContact CA-OD2 3.47Å; H123-D142 HydrophobicContact CB-CB 4.37Å; H123-D142 WeakPolarHBondContact CB-OD2 3.49Å; H123-D142 IonicContact CG-OD2 2.77Å; H123-D142 PolarHBondContact N-OD2 2.9Å; N124-D142 PolarHBondContact N-OD2 2.02Å; N124-D142 VanDerWaalsContact N-OD2 3.08Å; D138-D142 PolarHBondContact OD1-N 3.46Å; C140-D142 WeakPolarHBondContact CB-OD1 3.13Å; C140-D142 PolarHBondContact O-N 3.25Å; D142-S144 PolarHBondContact O-N 3.27Å; D142-S144 WeakPolarHBondContact OD1-CB 3.31Å; D142-S144 PolarHBondContact OD1-N 3.3Å; D142-S144 VanDerWaalsContact OD1-N 3.11Å; D142-S144 PolarHBondContact OD1-OG 3.25Å; D142-S144 PolarHBondContact OD2-OG 3.41Å
143	N	83.4	Confident	80.8	Confident	85 Å²	85	55.5 Å²	55.5	46%	0.455	33%	0.331	S	S	.	.	S	Bend	trans	62.7	21	177.4	-138.7	85	0	0	0	114.7	D138 E146	D138-N143 WeakPolarHBondContact CB-OD1 3.11Å; D138-N143 WeakPolarHBondContact OD1-CA 2.85Å; D138-N143 PolarHBondContact OD1-N 3.49Å; N143-E146 PolarHBondContact O-N 3.11Å
144	S	88	Confident	80	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.042	33%	0.334	C	S	.	.			trans	-74.4	-28.7	-179.6	-59.8	0	0	0	0	114.4	L122 D142 D147	L122-S144 WeakPolarHBondContact CB-OG 2.86Å; L122-S144 VanDerWaalsContact N-CB 3.27Å; L122-S144 PolarHBondContact N-OG 2.96Å; L122-S144 VanDerWaalsContact N-OG 3.08Å; D142-S144 PolarHBondContact O-N 3.27Å; D142-S144 WeakPolarHBondContact OD1-CB 3.31Å; D142-S144 PolarHBondContact OD1-N 3.3Å; D142-S144 VanDerWaalsContact OD1-N 3.11Å; D142-S144 PolarHBondContact OD1-OG 3.25Å; D142-S144 PolarHBondContact OD2-OG 3.41Å; S144-D147 PolarHBondContact O-N 3.46Å
145	D	86.3	Confident	79.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.7	171.2	46.5	-9.6	0	0	0	112.9	F119 I128 C134 D139 C140	F119-D145 HydrophobicContact CD1-CB 4.07Å; F119-D145 VanDerWaalsContact CE1-CA 3.5Å; F119-D145 HydrophobicContact CE1-CB 3.99Å; I128-D145 HydrophobicContact CD1-CB 3.5Å; I128-D145 WeakPolarHBondContact CD1-OD2 3.36Å; C134-D145 PolarHBondContact N-O 3.08Å; C134-D145 VanDerWaalsContact N-O 3.11Å; C134-D145 PolarHBondContact SG-O 2.96Å; C134-D145 VanDerWaalsContact SG-O 3.38Å; D139-D145 WeakPolarHBondContact CA-OD2 3.15Å; D139-D145 WeakPolarHBondContact CB-OD2 3.14Å; D139-D145 PolarHBondContact N-OD2 2.97Å; C140-D145 HydrophobicContact CB-CB 4.35Å; C140-D145 PolarHBondContact N-OD2 2.88Å; C140-D145 VanDerWaalsContact SG-CB 3.57Å
146	E	86.5	Confident	79.2	Confident	40 Å²	40	63.8 Å²	63.8	19%	0.187	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	18.4	178.5	-61.2	-59	139.2	0	0	113	C134 D135 G136 S137 N143 P148	C134-E146 VanDerWaalsContact C-OE1 3.3Å; C134-E146 WeakPolarHBondContact CA-OE1 3.19Å; C134-E146 PolarHBondContact N-OE1 3.35Å; C134-E146 VanDerWaalsContact N-OE1 3.15Å; D135-E146 PolarHBondContact N-OE1 3.5Å; G136-E146 WeakPolarHBondContact CA-OE2 3.18Å; G136-E146 PolarHBondContact N-OE1 3.11Å; G136-E146 PolarHBondContact N-OE2 2.84Å; S137-E146 VanDerWaalsContact O-CG 3.3Å; S137-E146 WeakPolarHBondContact O-CG 3.47Å; N143-E146 PolarHBondContact O-N 3.11Å; E146-P148 VanDerWaalsContact O-CD 3.29Å; E146-P148 WeakPolarHBondContact O-CD 3.41Å
147	D	83.8	Confident	78.9	Confident	62 Å²	62	63.7 Å²	63.7	33%	0.332	36%	0.358	S	S	.	.			trans	-64	119.4	175.3	-176.7	-9.3	0	0	0	110	S144 A149 L150 C151	S144-D147 PolarHBondContact O-N 3.46Å; D147-A149 PolarHBondContact O-N 2.72Å; D147-A149 VanDerWaalsContact O-N 3.08Å; D147-A149 PolarHBondContact OD1-N 2.8Å; D147-L150 HydrophobicContact CB-CB 4.03Å; D147-L150 WeakPolarHBondContact O-CA 3.39Å; D147-L150 VanDerWaalsContact O-CB 3.3Å; D147-L150 WeakPolarHBondContact O-CB 3.25Å; D147-L150 PolarHBondContact O-N 3.37Å; D147-C151 PolarHBondContact O-N 3.02Å; D147-C151 PolarHBondContact O-SG 3.22Å
148	P	78.8	Confident	78.6	Confident	101 Å²	101	66.5 Å²	66.5	66%	0.656	38%	0.378	S	S	*	.	H	α-helix	trans	-53.1	-35.2	-179.9	-26	33.1	0	0	0	113.7	E146 L150 E152	E146-P148 VanDerWaalsContact O-CD 3.29Å; E146-P148 WeakPolarHBondContact O-CD 3.41Å; P148-L150 VanDerWaalsContact C-N 3.25Å; P148-L150 PolarHBondContact O-N 3.5Å; P148-E152 PolarHBondContact O-N 2.69Å; P148-E152 VanDerWaalsContact O-N 3.1Å
149	A	80.6	Confident	78.1	Confident	58 Å²	58	67.5 Å²	67.5	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-70.4	-24.4	-179.8	0	0	0	0	0	113	D147	D147-A149 PolarHBondContact O-N 2.72Å; D147-A149 VanDerWaalsContact O-N 3.08Å; D147-A149 PolarHBondContact OD1-N 2.8Å
150	L	76.3	Confident	77.9	Confident	48 Å²	48	68.1 Å²	68.1	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-85.6	-44.1	178.4	-162.7	89.4	0	0	0	110.4	F119 Q133 D147 P148 E152 K153 K154	F119-L150 HydrophobicContact CD2-CD2 4.13Å; F119-L150 HydrophobicContact CE1-CD2 4.1Å; F119-L150 HydrophobicContact CE2-CD1 4.08Å; F119-L150 HydrophobicContact CE2-CD2 3.3Å; F119-L150 HydrophobicContact CE2-CG 4.25Å; F119-L150 HydrophobicContact CZ-CD1 4.43Å; F119-L150 HydrophobicContact CZ-CD2 3.25Å; F119-L150 HydrophobicContact CZ-CG 4.46Å; Q133-L150 HydrophobicContact CG-CD2 3.95Å; D147-L150 HydrophobicContact CB-CB 4.03Å; D147-L150 WeakPolarHBondContact O-CA 3.39Å; D147-L150 VanDerWaalsContact O-CB 3.3Å; D147-L150 WeakPolarHBondContact O-CB 3.25Å; D147-L150 PolarHBondContact O-N 3.37Å; P148-L150 VanDerWaalsContact C-N 3.25Å; P148-L150 PolarHBondContact O-N 3.5Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 2.73Å; L150-K153 PolarHBondContact O-N 3.27Å; L150-K153 VanDerWaalsContact O-N 3.15Å; L150-K154 PolarHBondContact O-N 3.47Å
151	C	76.2	Confident	77.8	Confident	13 Å²	13	69.2 Å²	69.2	9%	0.088	39%	0.389	C	S	.	.	H	α-helix	trans	-68.2	-30.2	-179.8	-59.2	0	0	0	0	113.7	C134 D147 K153 K154 K162	C134-C151 HydrophobicContact CB-CB 3.73Å; C134-C151 WeakPolarHBondContact CB-SG 3.32Å; C134-C151 WeakPolarHBondContact SG-CA 3.37Å; C134-C151 WeakPolarHBondContact SG-CB 3.48Å; C134-C151 CovalentContact SG-SG 2.02Å; C134-C151 PolarHBondContact SG-SG 2.75Å; D147-C151 PolarHBondContact O-N 3.02Å; D147-C151 PolarHBondContact O-SG 3.22Å; C151-K153 PolarHBondContact O-N 2.86Å; C151-K154 PolarHBondContact O-N 2.97Å; C151-K162 PolarHBondContact O-NZ 2.86Å
152	E	71.6	Confident	77.9	Confident	164 Å²	164	69.8 Å²	69.8	77%	0.766	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34	172.2	-115.7	-176.3	170.5	0	0	112.1	P148 L150 K162	P148-E152 PolarHBondContact O-N 2.69Å; P148-E152 VanDerWaalsContact O-N 3.1Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 2.73Å; E152-K162 PolarHBondContact O-NZ 3.03Å; E152-K162 VanDerWaalsContact O-NZ 3.11Å
153	K	67.2	Low	77.9	Confident	177 Å²	177	67.9 Å²	67.9	77%	0.77	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.3	-175.1	-70.9	-178.5	-177.7	171	0	115.2	L150 C151 E155	L150-K153 PolarHBondContact O-N 3.27Å; L150-K153 VanDerWaalsContact O-N 3.15Å; C151-K153 PolarHBondContact O-N 2.86Å; K153-E155 PolarHBondContact O-N 2.84Å
154	K	65.9	Low	77.8	Confident	38 Å²	38	69.9 Å²	69.9	17%	0.165	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-67.4	119.8	-179.5	-164.2	176.4	-173.1	-174.4	0	109.8	L130 Q133 C134 L150 C151 K162	L130-K154 PolarHBondContact O-NZ 2.91Å; Q133-K154 PolarHBondContact O-NZ 3Å; C134-K154 HydrophobicContact CB-CD 4.39Å; L150-K154 PolarHBondContact O-N 3.47Å; C151-K154 PolarHBondContact O-N 2.97Å; K154-K162 PolarHBondContact O-NZ 3.46Å
155	E	70	Confident	77.2	Confident	184 Å²	184	72.7 Å²	72.7	86%	0.86	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-87.6	130	166.8	-69.9	-167	165.1	0	0	108.2	K153	K153-E155 PolarHBondContact O-N 2.84Å
156	C	73.3	Confident	76.4	Confident	28 Å²	28	75.8 Å²	75.8	19%	0.189	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-72.2	151.2	175.9	-57.4	0	0	0	0	110.3	Q160 K162 C169	C156-Q160 HydrophobicContact CB-CB 3.88Å; C156-K162 WeakPolarHBondContact SG-CB 3.47Å; C156-C169 WeakPolarHBondContact CA-SG 3.27Å; C156-C169 HydrophobicContact CB-CB 3.76Å; C156-C169 WeakPolarHBondContact CB-SG 3.15Å; C156-C169 VanDerWaalsContact SG-CA 3.52Å; C156-C169 WeakPolarHBondContact SG-CB 3.24Å; C156-C169 CovalentContact SG-SG 2.03Å; C156-C169 PolarHBondContact SG-SG 2.71Å
157	S	71.5	Confident	75.8	Confident	63 Å²	63	74.3 Å²	74.3	44%	0.441	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-60.6	159.2	173.1	-176.9	0	0	0	0	110.9	D159 Q160	S157-D159 WeakPolarHBondContact CB-OD1 3.04Å; S157-D159 PolarHBondContact O-N 2.72Å; S157-D159 PolarHBondContact OG-OD1 3.02Å; S157-Q160 PolarHBondContact O-N 2.84Å
158	S	74.1	Confident	75.3	Confident	120 Å²	120	75.2 Å²	75.2	84%	0.839	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.3	-175.4	52.8	0	0	0	0	114.8	L172	S158-L172 WeakPolarHBondContact O-CD1 3.41Å
159	D	74.5	Confident	75.4	Confident	95 Å²	95	71.6 Å²	71.6	51%	0.508	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.9	176.6	59.2	-41.1	0	0	0	113.5	S157 L172	S157-D159 WeakPolarHBondContact CB-OD1 3.04Å; S157-D159 PolarHBondContact O-N 2.72Å; S157-D159 PolarHBondContact OG-OD1 3.02Å; D159-L172 WeakPolarHBondContact O-CG 3.19Å; D159-L172 PolarHBondContact O-N 3.31Å
160	Q	80.1	Confident	75.3	Confident	49 Å²	49	68.9 Å²	68.9	23%	0.229	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.1	-178.8	-65.6	178.8	-19.4	0	0	112.1	C156 S157 C169 I170	C156-Q160 HydrophobicContact CB-CB 3.88Å; S157-Q160 PolarHBondContact O-N 2.84Å; Q160-C169 HydrophobicContact CB-CB 4.14Å; Q160-I170 CarbonylContact C-O 3.56Å; Q160-I170 WeakPolarHBondContact CA-O 3.44Å; Q160-I170 WeakPolarHBondContact CB-O 3.3Å
161	F	81.4	Confident	75.4	Confident	24 Å²	24	68.5 Å²	68.5	11%	0.105	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133	174.9	172.6	-96.9	0	0	0	110.9	C169 I170 L172 V175 D187 Q192	F161-C169 CarbonylContact O-C 3.19Å; F161-C169 WeakPolarHBondContact O-CA 3.37Å; F161-I170 HydrophobicContact CB-CG1 4.13Å; F161-I170 HydrophobicContact CD1-CD1 4.02Å; F161-I170 HydrophobicContact CD1-CG1 3.99Å; F161-I170 PolarHBondContact N-O 2.88Å; F161-I170 PolarHBondContact O-N 2.8Å; F161-L172 HydrophobicContact CB-CD2 4.27Å; F161-V175 HydrophobicContact CB-CG2 3.24Å; F161-V175 HydrophobicContact CD1-CG2 3.82Å; F161-V175 HydrophobicContact CD2-CG1 4.48Å; F161-V175 HydrophobicContact CD2-CG2 4.12Å; F161-V175 HydrophobicContact CG-CG2 3.47Å; F161-V175 VanDerWaalsContact CG-CG2 3.47Å; F161-D187 HydrophobicContact CE1-CB 4.31Å; F161-Q192 HydrophobicContact CE2-CG 4.02Å
162	K	82.4	Confident	75.4	Confident	70 Å²	70	71.5 Å²	71.5	30%	0.304	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.4	177.8	-165.8	169.9	-178.6	170.9	0	110.1	C151 E152 K154 C156 K168	C151-K162 PolarHBondContact O-NZ 2.86Å; E152-K162 PolarHBondContact O-NZ 3.03Å; E152-K162 VanDerWaalsContact O-NZ 3.11Å; K154-K162 PolarHBondContact O-NZ 3.46Å; C156-K162 WeakPolarHBondContact SG-CB 3.47Å; K162-K168 WeakPolarHBondContact CA-O 3.36Å
163	C	84.2	Confident	75.6	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.007	37%	0.37	C	S	.	.			trans	-56.8	137.4	169.6	-63.8	0	0	0	0	110.5	S165 D166 G167 K168 C182	C163-S165 VanDerWaalsContact C-N 3.33Å; C163-S165 PolarHBondContact O-N 2.77Å; C163-D166 WeakPolarHBondContact CB-OD1 3.39Å; C163-G167 VanDerWaalsContact O-CA 3.3Å; C163-G167 WeakPolarHBondContact O-CA 3.31Å; C163-G167 PolarHBondContact O-N 2.82Å; C163-K168 HydrophobicContact CB-CB 4.33Å; C163-K168 PolarHBondContact N-O 3.42Å; C163-K168 PolarHBondContact SG-O 2.74Å; C163-C182 WeakPolarHBondContact CA-SG 3.08Å; C163-C182 HydrophobicContact CB-CB 3.66Å; C163-C182 WeakPolarHBondContact CB-SG 3.15Å; C163-C182 WeakPolarHBondContact SG-CA 3.21Å; C163-C182 WeakPolarHBondContact SG-CB 2.97Å; C163-C182 CovalentContact SG-SG 2.03Å; C163-C182 PolarHBondContact SG-SG 2.82Å
164	L	80.9	Confident	76.2	Confident	127 Å²	127	66.4 Å²	66.4	67%	0.665	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.9	-174	-77	140	0	0	0	113.3	D184 S186	L164-D184 VanDerWaalsContact CB-OD2 3.3Å; L164-D184 WeakPolarHBondContact CB-OD2 3.17Å; L164-S186 WeakPolarHBondContact CB-OG 3.44Å; L164-S186 WeakPolarHBondContact CD1-OG 3.02Å; L164-S186 PolarHBondContact N-OG 3Å
165	S	75.8	Confident	76.9	Confident	65 Å²	65	65 Å²	65	46%	0.455	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-53.6	-173.7	51.5	0	0	0	0	114.2	C163 D184	C163-S165 VanDerWaalsContact C-N 3.33Å; C163-S165 PolarHBondContact O-N 2.77Å; S165-D184 WeakPolarHBondContact CB-OD2 2.98Å; S165-D184 PolarHBondContact N-OD2 3.01Å; S165-D184 VanDerWaalsContact N-OD2 3.12Å; S165-D184 WeakPolarHBondContact OG-CB 3.4Å; S165-D184 PolarHBondContact OG-OD1 3.06Å
166	D	70.4	Confident	77.3	Confident	64 Å²	64	57.2 Å²	57.2	34%	0.342	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-12.3	-174.1	57.2	4.8	0	0	0	112.9	C163 K168	C163-D166 WeakPolarHBondContact CB-OD1 3.39Å; D166-K168 PolarHBondContact O-N 3.49Å; D166-K168 VanDerWaalsContact OD1-CB 3.29Å; D166-K168 WeakPolarHBondContact OD1-CB 3.46Å; D166-K168 PolarHBondContact OD1-N 3.01Å
167	G	74	Confident	77.2	Confident	10 Å²	10	57.5 Å²	57.5	10%	0.103	31%	0.312	C	S	.	.			trans	74.4	12.2	-175.1	0	0	0	0	0	114	C163	C163-G167 VanDerWaalsContact O-CA 3.3Å; C163-G167 WeakPolarHBondContact O-CA 3.31Å; C163-G167 PolarHBondContact O-N 2.82Å
168	K	72.2	Confident	77.3	Confident	80 Å²	80	57.1 Å²	57.1	35%	0.348	32%	0.318	S	S	.	.			trans	-62.6	135.6	177.9	-171.8	177.4	-177	-178.2	0	110.4	K162 C163 D166	K162-K168 WeakPolarHBondContact CA-O 3.36Å; C163-K168 HydrophobicContact CB-CB 4.33Å; C163-K168 PolarHBondContact N-O 3.42Å; C163-K168 PolarHBondContact SG-O 2.74Å; D166-K168 PolarHBondContact O-N 3.49Å; D166-K168 VanDerWaalsContact OD1-CB 3.29Å; D166-K168 WeakPolarHBondContact OD1-CB 3.46Å; D166-K168 PolarHBondContact OD1-N 3.01Å
169	C	80.9	Confident	77.4	Confident	25 Å²	25	57 Å²	57	17%	0.169	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.2	177.4	-59.2	0	0	0	0	109.7	C156 Q160 F161	C156-C169 WeakPolarHBondContact CA-SG 3.27Å; C156-C169 HydrophobicContact CB-CB 3.76Å; C156-C169 WeakPolarHBondContact CB-SG 3.15Å; C156-C169 VanDerWaalsContact SG-CA 3.52Å; C156-C169 WeakPolarHBondContact SG-CB 3.24Å; C156-C169 CovalentContact SG-SG 2.03Å; C156-C169 PolarHBondContact SG-SG 2.71Å; Q160-C169 HydrophobicContact CB-CB 4.14Å; F161-C169 CarbonylContact O-C 3.19Å; F161-C169 WeakPolarHBondContact O-CA 3.37Å
170	I	78.2	Confident	77.8	Confident	2 Å²	2	58 Å²	58	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.1	174.1	61.2	168.7	0	0	0	110.2	Q160 F161 W174 V175 D181 D187	Q160-I170 CarbonylContact C-O 3.56Å; Q160-I170 WeakPolarHBondContact CA-O 3.44Å; Q160-I170 WeakPolarHBondContact CB-O 3.3Å; F161-I170 HydrophobicContact CB-CG1 4.13Å; F161-I170 HydrophobicContact CD1-CD1 4.02Å; F161-I170 HydrophobicContact CD1-CG1 3.99Å; F161-I170 PolarHBondContact N-O 2.88Å; F161-I170 PolarHBondContact O-N 2.8Å; I170-W174 HydrophobicContact CB-CB 4.44Å; I170-W174 HydrophobicContact CB-CE3 4.12Å; I170-W174 HydrophobicContact CD1-CB 4.05Å; I170-W174 HydrophobicContact CG2-CE3 4.25Å; I170-V175 HydrophobicContact CD1-CG2 4.25Å; I170-D181 HydrophobicContact CD1-CB 3.96Å; I170-D181 HydrophobicContact CG2-CB 4.21Å; I170-D187 HydrophobicContact CD1-CB 3.63Å
171	P	78.3	Confident	77.9	Confident	40 Å²	40	57.8 Å²	57.8	26%	0.26	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	142.3	174	-26.2	36.2	0	0	0	112	Q173 W174	P171-Q173 HydrophobicContact CB-CG 3.61Å; P171-Q173 PolarHBondContact O-N 3.19Å; P171-W174 HydrophobicContact CG-CD2 4.3Å; P171-W174 WeakPolarHBondContact O-CB 3.47Å; P171-W174 PolarHBondContact O-N 3.21Å
172	L	76.8	Confident	77.9	Confident	76 Å²	76	56.7 Å²	56.7	40%	0.398	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-56.1	-25.1	178.8	-81.2	173	0	0	0	113.9	S158 D159 F161 W174 V175 R196	S158-L172 WeakPolarHBondContact O-CD1 3.41Å; D159-L172 WeakPolarHBondContact O-CG 3.19Å; D159-L172 PolarHBondContact O-N 3.31Å; F161-L172 HydrophobicContact CB-CD2 4.27Å; L172-W174 PolarHBondContact O-N 2.98Å; L172-V175 HydrophobicContact CD2-CG2 4.44Å; L172-V175 WeakPolarHBondContact O-CB 3.38Å; L172-V175 PolarHBondContact O-N 3.13Å; L172-R196 PolarHBondContact O-NH1 3.29Å
173	Q	75	Confident	77.7	Confident	130 Å²	130	60 Å²	60	61%	0.607	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.7	174.3	55.1	-178.5	15.7	0	0	113.6	P171 V175 D177	P171-Q173 HydrophobicContact CB-CG 3.61Å; P171-Q173 PolarHBondContact O-N 3.19Å; Q173-V175 VanDerWaalsContact C-N 3.33Å; Q173-D177 WeakPolarHBondContact O-CB 3.14Å
174	W	80.6	Confident	77.6	Confident	103 Å²	103	61.8 Å²	61.8	39%	0.39	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-90	5.1	177.5	-64.2	-2	0	0	0	113	I170 P171 L172 D181	I170-W174 HydrophobicContact CB-CB 4.44Å; I170-W174 HydrophobicContact CB-CE3 4.12Å; I170-W174 HydrophobicContact CD1-CB 4.05Å; I170-W174 HydrophobicContact CG2-CE3 4.25Å; P171-W174 HydrophobicContact CG-CD2 4.3Å; P171-W174 WeakPolarHBondContact O-CB 3.47Å; P171-W174 PolarHBondContact O-N 3.21Å; L172-W174 PolarHBondContact O-N 2.98Å; W174-D181 HydrophobicContact CB-CB 4.32Å; W174-D181 WeakPolarHBondContact CB-OD2 2.94Å; W174-D181 HydrophobicContact CE3-CB 3.89Å
175	V	80.4	Confident	77.4	Confident	8 Å²	8	60.8 Å²	60.8	5%	0.048	32%	0.323	C	S	.	.	S	Bend	trans	-93.3	118.4	174.7	-177.1	0	0	0	0	108.6	F161 I170 L172 Q173 D177 R196	F161-V175 HydrophobicContact CB-CG2 3.24Å; F161-V175 HydrophobicContact CD1-CG2 3.82Å; F161-V175 HydrophobicContact CD2-CG1 4.48Å; F161-V175 HydrophobicContact CD2-CG2 4.12Å; F161-V175 HydrophobicContact CG-CG2 3.47Å; F161-V175 VanDerWaalsContact CG-CG2 3.47Å; I170-V175 HydrophobicContact CD1-CG2 4.25Å; L172-V175 HydrophobicContact CD2-CG2 4.44Å; L172-V175 WeakPolarHBondContact O-CB 3.38Å; L172-V175 PolarHBondContact O-N 3.13Å; Q173-V175 VanDerWaalsContact C-N 3.33Å; V175-D177 VanDerWaalsContact C-N 3.26Å; V175-R196 PolarHBondContact O-NH1 3.05Å
176	C	77.8	Confident	77.9	Confident	22 Å²	22	57.7 Å²	57.7	15%	0.149	30%	0.302	C	S	.	.	S	Bend	trans	64.8	32.4	-178.5	-48.5	0	0	0	0	112.7	G178 D187 E188 C193	C176-G178 VanDerWaalsContact C-N 3.32Å; C176-D187 PolarHBondContact N-O 3.04Å; C176-D187 VanDerWaalsContact N-O 3.12Å; C176-D187 PolarHBondContact SG-O 2.7Å; C176-E188 WeakPolarHBondContact CA-OE1 3.04Å; C176-E188 PolarHBondContact N-OE1 3.07Å; C176-C193 HydrophobicContact CB-CB 3.68Å; C176-C193 WeakPolarHBondContact CB-SG 3.02Å; C176-C193 WeakPolarHBondContact SG-CA 3.01Å; C176-C193 WeakPolarHBondContact SG-CB 3.3Å; C176-C193 CovalentContact SG-SG 2.02Å; C176-C193 PolarHBondContact SG-SG 3.08Å
177	D	72.2	Confident	78.4	Confident	34 Å²	34	54.7 Å²	54.7	18%	0.182	29%	0.285	C	S	.	.	S	Bend	trans	-90.1	-3	176.1	82.4	-10.6	0	0	0	111.6	Q173 V175 H179 E188 R210	Q173-D177 WeakPolarHBondContact O-CB 3.14Å; V175-D177 VanDerWaalsContact C-N 3.26Å; D177-H179 WeakPolarHBondContact OD1-CA 3.2Å; D177-H179 WeakPolarHBondContact OD1-CB 3.19Å; D177-H179 PolarHBondContact OD1-N 3.47Å; D177-E188 PolarHBondContact N-OE1 3.5Å; D177-E188 VanDerWaalsContact N-OE1 3.08Å; D177-R210 PolarHBondContact O-NE 2.91Å; D177-R210 PolarHBondContact O-NH2 3.15Å
178	G	72.7	Confident	78.8	Confident	54 Å²	54	56.7 Å²	56.7	56%	0.557	29%	0.292	S	S	*	.	S	Bend	trans	89	-2	179.8	0	0	0	0	0	114.4	C176 E188	C176-G178 VanDerWaalsContact C-N 3.32Å; G178-E188 WeakPolarHBondContact CA-OE2 3.4Å; G178-E188 PolarHBondContact N-OE1 3.26Å; G178-E188 PolarHBondContact N-OE2 2.79Å
179	H	77.7	Confident	79	Confident	119 Å²	119	59.7 Å²	59.7	55%	0.551	30%	0.301	S	S	*	.	S	Bend	trans	-103.9	149.9	173.1	-71.9	-82.2	0	0	0	111	D177 D181 E188	D177-H179 WeakPolarHBondContact OD1-CA 3.2Å; D177-H179 WeakPolarHBondContact OD1-CB 3.19Å; D177-H179 PolarHBondContact OD1-N 3.47Å; H179-D181 PolarHBondContact O-N 2.03Å; H179-E188 VanDerWaalsContact O-CD 3.3Å; H179-E188 WeakPolarHBondContact O-CG 3.4Å
180	Q	81.8	Confident	78.2	Confident	115 Å²	115	64.4 Å²	64.4	54%	0.537	33%	0.325	S	S	.	.			trans	-92.1	86.6	179.1	-175.7	179.7	19.4	0	0	109	C182 E185	Q180-C182 VanDerWaalsContact CG-O 3.27Å; Q180-C182 WeakPolarHBondContact CG-O 3.35Å; Q180-E185 HydrophobicContact CG-CG 3.82Å; Q180-E185 PolarHBondContact NE2-OE1 2.86Å
181	D	81.7	Confident	77.5	Confident	45 Å²	45	75.1 Å²	75.1	24%	0.241	37%	0.365	C	S	.	.			trans	-89.5	-27.1	176.7	-66.7	-61.5	0	0	0	112.4	I170 W174 H179 D187	I170-D181 HydrophobicContact CD1-CB 3.96Å; I170-D181 HydrophobicContact CG2-CB 4.21Å; W174-D181 HydrophobicContact CB-CB 4.32Å; W174-D181 WeakPolarHBondContact CB-OD2 2.94Å; W174-D181 HydrophobicContact CE3-CB 3.89Å; H179-D181 PolarHBondContact O-N 2.03Å; D181-D187 VanDerWaalsContact CA-OD2 3.3Å; D181-D187 WeakPolarHBondContact CA-OD2 3.42Å; D181-D187 WeakPolarHBondContact CB-OD2 3.02Å; D181-D187 PolarHBondContact N-OD2 3.44Å
182	C	83	Confident	76.7	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.007	38%	0.375	C	S	.	.	S	Bend	trans	-90.2	133.3	165.5	-64.3	0	0	0	0	111.5	C163 Q180 D184 E185 D187	C163-C182 WeakPolarHBondContact CA-SG 3.08Å; C163-C182 HydrophobicContact CB-CB 3.66Å; C163-C182 WeakPolarHBondContact CB-SG 3.15Å; C163-C182 WeakPolarHBondContact SG-CA 3.21Å; C163-C182 WeakPolarHBondContact SG-CB 2.97Å; C163-C182 CovalentContact SG-SG 2.03Å; C163-C182 PolarHBondContact SG-SG 2.82Å; Q180-C182 VanDerWaalsContact CG-O 3.27Å; Q180-C182 WeakPolarHBondContact CG-O 3.35Å; C182-D184 PolarHBondContact O-N 2.83Å; C182-E185 PolarHBondContact O-N 3.42Å; C182-D187 HydrophobicContact CB-CB 4.26Å; C182-D187 WeakPolarHBondContact CB-OD1 3.49Å; C182-D187 PolarHBondContact N-OD2 2.82Å
183	L	78.2	Confident	76.2	Confident	139 Å²	139	76 Å²	76	73%	0.728	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.7	177.2	-93.6	159	0	0	0	114.2
184	D	81.5	Confident	75.5	Confident	38 Å²	38	74.2 Å²	74.2	20%	0.203	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	16.3	179.8	69.2	-31	0	0	0	115.3	L164 S165 C182 S186	L164-D184 VanDerWaalsContact CB-OD2 3.3Å; L164-D184 WeakPolarHBondContact CB-OD2 3.17Å; S165-D184 WeakPolarHBondContact CB-OD2 2.98Å; S165-D184 PolarHBondContact N-OD2 3.01Å; S165-D184 VanDerWaalsContact N-OD2 3.12Å; S165-D184 WeakPolarHBondContact OG-CB 3.4Å; S165-D184 PolarHBondContact OG-OD1 3.06Å; C182-D184 PolarHBondContact O-N 2.83Å; D184-S186 PolarHBondContact O-N 2.99Å; D184-S186 WeakPolarHBondContact OD1-CB 3.06Å; D184-S186 PolarHBondContact OD1-OG 2.64Å; D184-S186 PolarHBondContact OD2-OG 2.78Å
185	E	77.1	Confident	74.4	Confident	106 Å²	106	75.5 Å²	75.5	50%	0.495	38%	0.382	S	S	.	.	S	Bend	trans	59.2	26.8	179.9	-53.9	173.7	-180	0	0	112.3	Q180 C182 D187 E188 R189	Q180-E185 HydrophobicContact CG-CG 3.82Å; Q180-E185 PolarHBondContact NE2-OE1 2.86Å; C182-E185 PolarHBondContact O-N 3.42Å; E185-D187 VanDerWaalsContact C-N 3.29Å; E185-D187 VanDerWaalsContact CA-OD1 3.24Å; E185-D187 WeakPolarHBondContact CA-OD1 3.04Å; E185-D187 PolarHBondContact O-N 3.34Å; E185-E188 CarbonylContact O-C 3.27Å; E185-E188 PolarHBondContact O-N 2.91Å; E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 3.27Å
186	S	84.7	Confident	73.3	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.007	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-42.6	178.1	-71.1	0	0	0	0	113.5	L164 D184 E188	L164-S186 WeakPolarHBondContact CB-OG 3.44Å; L164-S186 WeakPolarHBondContact CD1-OG 3.02Å; L164-S186 PolarHBondContact N-OG 3Å; D184-S186 PolarHBondContact O-N 2.99Å; D184-S186 WeakPolarHBondContact OD1-CB 3.06Å; D184-S186 PolarHBondContact OD1-OG 2.64Å; D184-S186 PolarHBondContact OD2-OG 2.78Å; S186-E188 VanDerWaalsContact C-N 3.3Å
187	D	81.7	Confident	72.7	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-40.8	173.1	51.8	-18.6	0	0	0	111.8	F161 I170 C176 D181 C182 E185	F161-D187 HydrophobicContact CE1-CB 4.31Å; I170-D187 HydrophobicContact CD1-CB 3.63Å; C176-D187 PolarHBondContact N-O 3.04Å; C176-D187 VanDerWaalsContact N-O 3.12Å; C176-D187 PolarHBondContact SG-O 2.7Å; D181-D187 VanDerWaalsContact CA-OD2 3.3Å; D181-D187 WeakPolarHBondContact CA-OD2 3.42Å; D181-D187 WeakPolarHBondContact CB-OD2 3.02Å; D181-D187 PolarHBondContact N-OD2 3.44Å; C182-D187 HydrophobicContact CB-CB 4.26Å; C182-D187 WeakPolarHBondContact CB-OD1 3.49Å; C182-D187 PolarHBondContact N-OD2 2.82Å; E185-D187 VanDerWaalsContact C-N 3.29Å; E185-D187 VanDerWaalsContact CA-OD1 3.24Å; E185-D187 WeakPolarHBondContact CA-OD1 3.04Å; E185-D187 PolarHBondContact O-N 3.34Å
188	E	82.3	Confident	72.8	Confident	53 Å²	53	82.6 Å²	82.6	25%	0.248	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	3	-176.5	-62.3	-53.5	118.2	0	0	114	C176 D177 G178 H179 E185 S186 N190	C176-E188 WeakPolarHBondContact CA-OE1 3.04Å; C176-E188 PolarHBondContact N-OE1 3.07Å; D177-E188 PolarHBondContact N-OE1 3.5Å; D177-E188 VanDerWaalsContact N-OE1 3.08Å; G178-E188 WeakPolarHBondContact CA-OE2 3.4Å; G178-E188 PolarHBondContact N-OE1 3.26Å; G178-E188 PolarHBondContact N-OE2 2.79Å; H179-E188 VanDerWaalsContact O-CD 3.3Å; H179-E188 WeakPolarHBondContact O-CG 3.4Å; E185-E188 CarbonylContact O-C 3.27Å; E185-E188 PolarHBondContact O-N 2.91Å; S186-E188 VanDerWaalsContact C-N 3.3Å; E188-N190 PolarHBondContact O-N 3.04Å; E188-N190 VanDerWaalsContact O-N 3.12Å
189	R	76.7	Confident	72.9	Confident	142 Å²	142	83.3 Å²	83.3	54%	0.536	41%	0.409	S	S	.	.			trans	-68.8	117	179.5	-94.4	172.9	-163.6	-144	6.4	110.9	E185 R191 Q192 C193	E185-R189 WeakPolarHBondContact O-CG 3.38Å; E185-R189 PolarHBondContact O-N 3.27Å; R189-R191 PolarHBondContact O-N 3.44Å; R189-Q192 WeakPolarHBondContact O-CB 3.4Å; R189-Q192 PolarHBondContact O-N 2.56Å; R189-C193 PolarHBondContact O-N 3.29Å
190	N	63.5	Low	72.7	Confident	125 Å²	125	86.6 Å²	86.6	67%	0.668	42%	0.422	S	S	*	.	H	α-helix	trans	-44.6	-31.4	-179.2	-157.9	-2	0	0	0	115.6	E188 S194	E188-N190 PolarHBondContact O-N 3.04Å; E188-N190 VanDerWaalsContact O-N 3.12Å; N190-S194 WeakPolarHBondContact O-CB 3.49Å; N190-S194 PolarHBondContact O-N 3.11Å; N190-S194 PolarHBondContact O-OG 3.46Å
191	R	64.8	Low	72.5	Confident	227 Å²	227	86 Å²	86	86%	0.857	43%	0.426	S	S	*	.	H	α-helix	trans	-65	-36.9	175.4	-100.5	-172.4	-162.2	171	7.2	113.5	R189	R189-R191 PolarHBondContact O-N 3.44Å
192	Q	61.5	Low	72.3	Confident	102 Å²	102	88.8 Å²	88.8	48%	0.477	44%	0.441	S	S	.	.	H	α-helix	trans	-78.8	-40.9	178	-151.4	78.5	2.7	0	0	109.7	F161 R189 S194 I195	F161-Q192 HydrophobicContact CE2-CG 4.02Å; R189-Q192 WeakPolarHBondContact O-CB 3.4Å; R189-Q192 PolarHBondContact O-N 2.56Å; Q192-S194 VanDerWaalsContact C-N 3.3Å; Q192-S194 PolarHBondContact O-N 2.78Å; Q192-I195 PolarHBondContact O-N 3.34Å
193	C	65.5	Low	72.3	Confident	33 Å²	33	91.2 Å²	91.2	22%	0.223	45%	0.452	C	S	.	.	H	α-helix	trans	-66.8	-27.5	178.6	-54.8	0	0	0	0	114.4	C176 R189 I195 R196	C176-C193 HydrophobicContact CB-CB 3.68Å; C176-C193 WeakPolarHBondContact CB-SG 3.02Å; C176-C193 WeakPolarHBondContact SG-CA 3.01Å; C176-C193 WeakPolarHBondContact SG-CB 3.3Å; C176-C193 CovalentContact SG-SG 2.02Å; C176-C193 PolarHBondContact SG-SG 3.08Å; R189-C193 PolarHBondContact O-N 3.29Å; C193-I195 PolarHBondContact O-N 3.32Å; C193-I195 VanDerWaalsContact O-N 3.12Å; C193-R196 PolarHBondContact O-N 2.01Å
194	S	60.2	Low	72.6	Confident	91 Å²	91	86.2 Å²	86.2	64%	0.636	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.3	175.7	-65.5	0	0	0	0	113.8	N190 Q192	N190-S194 WeakPolarHBondContact O-CB 3.49Å; N190-S194 PolarHBondContact O-N 3.11Å; N190-S194 PolarHBondContact O-OG 3.46Å; Q192-S194 VanDerWaalsContact C-N 3.3Å; Q192-S194 PolarHBondContact O-N 2.78Å
195	I	57.1	Low	72.8	Confident	131 Å²	131	92.2 Å²	92.2	67%	0.672	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-19.2	-175.4	-56.6	174	0	0	0	111.9	Q192 C193 T197	Q192-I195 PolarHBondContact O-N 3.34Å; C193-I195 PolarHBondContact O-N 3.32Å; C193-I195 VanDerWaalsContact O-N 3.12Å; I195-T197 PolarHBondContact O-N 2.71Å
196	R	57.5	Low	73.2	Confident	73 Å²	73	87.3 Å²	87.3	28%	0.275	42%	0.422	S	S	.	.			trans	-72.8	105.6	-176.8	-154.6	178.8	166.5	-163.4	-10	109.8	L172 V175 C193 E203	L172-R196 PolarHBondContact O-NH1 3.29Å; V175-R196 PolarHBondContact O-NH1 3.05Å; C193-R196 PolarHBondContact O-N 2.01Å; R196-E203 IonicContact NH2-OE1 3.25Å
197	T	66.2	Low	73.2	Confident	126 Å²	126	91.3 Å²	91.3	77%	0.773	46%	0.455	S	S	*	.			trans	-83.5	118.9	166.5	48.3	0	0	0	0	108.1	I195	I195-T197 PolarHBondContact O-N 2.71Å
198	C	73.4	Confident	73.1	Confident	13 Å²	13	95.6 Å²	95.6	9%	0.088	48%	0.478	C	S	.	.			trans	-53.8	144	175.7	-47.7	0	0	0	0	111.3	K200 E203 R205 C211	C198-K200 PolarHBondContact O-N 2.8Å; C198-K200 VanDerWaalsContact O-N 3.13Å; C198-E203 VanDerWaalsContact CA-OE2 3.25Å; C198-E203 WeakPolarHBondContact CA-OE2 3.13Å; C198-E203 HydrophobicContact CB-CB 3.92Å; C198-R205 HydrophobicContact CB-CB 4.21Å; C198-R205 WeakPolarHBondContact SG-CB 3.25Å; C198-R205 VanDerWaalsContact SG-CG 3.53Å; C198-C211 WeakPolarHBondContact CA-SG 3.42Å; C198-C211 HydrophobicContact CB-CB 3.74Å; C198-C211 WeakPolarHBondContact CB-SG 3.36Å; C198-C211 VanDerWaalsContact SG-CA 3.53Å; C198-C211 WeakPolarHBondContact SG-CB 3.03Å; C198-C211 CovalentContact SG-SG 2.02Å; C198-C211 PolarHBondContact SG-SG 3.36Å
199	D	75.8	Confident	72.9	Confident	69 Å²	69	94.6 Å²	94.6	37%	0.369	48%	0.481	S	S	.	.			trans	-61.1	114.8	171.9	176.9	10.7	0	0	0	109.2	V201 N202 E203	D199-V201 PolarHBondContact O-N 3.14Å; D199-V201 PolarHBondContact OD1-N 3.29Å; D199-N202 PolarHBondContact O-N 2.9Å; D199-N202 PolarHBondContact OD2-ND2 2.86Å; D199-E203 HydrophobicContact CB-CB 4.49Å; D199-E203 HydrophobicContact CB-CG 4.22Å; D199-E203 PolarHBondContact N-OE2 2.88Å; D199-E203 WeakPolarHBondContact O-CA 3.48Å; D199-E203 WeakPolarHBondContact O-CB 3.2Å; D199-E203 PolarHBondContact O-N 2.73Å; D199-E203 VanDerWaalsContact O-O 3.13Å
200	K	73.1	Confident	72.8	Confident	188 Å²	188	91.6 Å²	91.6	82%	0.817	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.4	-176.9	-64.5	-175.7	179.9	179.3	0	113.6	C198	C198-K200 PolarHBondContact O-N 2.8Å; C198-K200 VanDerWaalsContact O-N 3.13Å
201	V	76.3	Confident	73.7	Confident	102 Å²	102	87 Å²	87	62%	0.618	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-53.3	-179.1	-173.5	0	0	0	0	110.2	D199 K214	D199-V201 PolarHBondContact O-N 3.14Å; D199-V201 PolarHBondContact OD1-N 3.29Å; V201-K214 WeakPolarHBondContact O-CD 3.36Å
202	N	77.5	Confident	74.6	Confident	105 Å²	105	76.4 Å²	76.4	56%	0.561	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-9.5	-167.5	-58.6	-48.3	0	0	0	114.6	D199 P213 K214	D199-N202 PolarHBondContact O-N 2.9Å; D199-N202 PolarHBondContact OD2-ND2 2.86Å; N202-P213 CarbonylContact O-C 3.55Å; N202-K214 WeakPolarHBondContact O-CB 3.28Å; N202-K214 PolarHBondContact O-N 2.04Å
203	E	83.6	Confident	75.6	Confident	51 Å²	51	74.3 Å²	74.3	24%	0.238	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.6	-175.3	-60.9	175.3	161.1	0	0	111.9	R196 C198 D199 C211 I212	R196-E203 IonicContact NH2-OE1 3.25Å; C198-E203 VanDerWaalsContact CA-OE2 3.25Å; C198-E203 WeakPolarHBondContact CA-OE2 3.13Å; C198-E203 HydrophobicContact CB-CB 3.92Å; D199-E203 HydrophobicContact CB-CB 4.49Å; D199-E203 HydrophobicContact CB-CG 4.22Å; D199-E203 PolarHBondContact N-OE2 2.88Å; D199-E203 WeakPolarHBondContact O-CA 3.48Å; D199-E203 WeakPolarHBondContact O-CB 3.2Å; D199-E203 PolarHBondContact O-N 2.73Å; D199-E203 VanDerWaalsContact O-O 3.13Å; E203-C211 HydrophobicContact CB-CB 4.33Å; E203-I212 CarbonylContact C-O 3.52Å; E203-I212 WeakPolarHBondContact CA-O 3.34Å
204	F	85	Confident	76.3	Confident	35 Å²	35	77.5 Å²	77.5	15%	0.154	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.9	166.9	174.4	-97.7	0	0	0	109.8	C211 I212 E217 S228 D229	F204-C211 WeakPolarHBondContact O-CA 3Å; F204-I212 HydrophobicContact CB-CD1 4.47Å; F204-I212 HydrophobicContact CB-CG1 3.93Å; F204-I212 HydrophobicContact CD1-CD1 3.89Å; F204-I212 HydrophobicContact CD1-CG1 3.94Å; F204-I212 HydrophobicContact CG-CG1 4.44Å; F204-I212 PolarHBondContact N-O 3.36Å; F204-I212 PolarHBondContact O-N 3.14Å; F204-E217 HydrophobicContact CB-CB 4.19Å; F204-E217 HydrophobicContact CD2-CB 4.19Å; F204-E217 HydrophobicContact CD2-CG 3.69Å; F204-E217 WeakPolarHBondContact CD2-OE1 3.31Å; F204-E217 WeakPolarHBondContact CD2-OE2 3.25Å; F204-E217 VanDerWaalsContact CE2-CD 3.5Å; F204-E217 HydrophobicContact CE2-CG 3.89Å; F204-E217 VanDerWaalsContact CE2-OE1 3.3Å; F204-E217 WeakPolarHBondContact CE2-OE1 3.35Å; F204-E217 HydrophobicContact CG-CB 4.12Å; F204-E217 HydrophobicContact CG-CG 4.09Å; F204-E217 HydrophobicContact CZ-CG 4.45Å; F204-S228 WeakPolarHBondContact CZ-O 3.33Å; F204-D229 HydrophobicContact CD1-CB 4.39Å; F204-D229 HydrophobicContact CE1-CB 4.16Å
205	R	85.3	Confident	77.3	Confident	164 Å²	164	78.8 Å²	78.8	62%	0.619	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	107.9	-180	-173.6	170.2	-176.8	-121.5	0.8	110.4	C198	C198-R205 HydrophobicContact CB-CB 4.21Å; C198-R205 WeakPolarHBondContact SG-CB 3.25Å; C198-R205 VanDerWaalsContact SG-CG 3.53Å
206	C	86.2	Confident	78.6	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.02	40%	0.404	C	S	.	.			trans	-60.6	159.7	174	-56.9	0	0	0	0	112.4	N208 G209 R210 C224	C206-N208 VanDerWaalsContact C-N 3.3Å; C206-N208 WeakPolarHBondContact CB-OD1 3.42Å; C206-N208 PolarHBondContact O-N 3.03Å; C206-G209 PolarHBondContact O-N 2.95Å; C206-R210 HydrophobicContact CB-CB 4.15Å; C206-R210 VanDerWaalsContact CB-O 3.27Å; C206-R210 WeakPolarHBondContact CB-O 3.38Å; C206-R210 PolarHBondContact N-O 2.88Å; C206-R210 PolarHBondContact SG-O 2.95Å; C206-R210 VanDerWaalsContact SG-O 3.33Å; C206-C224 VanDerWaalsContact CA-SG 3.52Å; C206-C224 HydrophobicContact CB-CB 3.55Å; C206-C224 WeakPolarHBondContact CB-SG 3.44Å; C206-C224 WeakPolarHBondContact SG-CA 3.15Å; C206-C224 WeakPolarHBondContact SG-CB 3.27Å; C206-C224 CovalentContact SG-SG 2.01Å; C206-C224 PolarHBondContact SG-SG 2.03Å
207	A	84	Confident	79.9	Confident	85 Å²	85	77.2 Å²	77.2	70%	0.702	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.8	179.9	0	0	0	0	0	112.7	G209 S228	A207-G209 PolarHBondContact O-N 2.83Å; A207-S228 WeakPolarHBondContact CB-OG 3.3Å; A207-S228 PolarHBondContact N-OG 2.59Å; A207-S228 VanDerWaalsContact N-OG 3.16Å
208	N	79.5	Confident	80.8	Confident	90 Å²	90	73.1 Å²	73.1	48%	0.481	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.6	171.1	66.2	8.4	0	0	0	113.8	C206 R210 C224 D226	C206-N208 VanDerWaalsContact C-N 3.3Å; C206-N208 WeakPolarHBondContact CB-OD1 3.42Å; C206-N208 PolarHBondContact O-N 3.03Å; N208-R210 VanDerWaalsContact OD1-CB 3.29Å; N208-R210 WeakPolarHBondContact OD1-CB 3.44Å; N208-R210 PolarHBondContact OD1-N 3.12Å; N208-C224 PolarHBondContact ND2-O 2.88Å; N208-D226 HydrophobicContact CB-CB 4.45Å; N208-D226 VanDerWaalsContact CB-OD2 3.24Å; N208-D226 WeakPolarHBondContact CB-OD2 3.03Å; N208-D226 PolarHBondContact N-OD2 2.03Å
209	G	77.7	Confident	80.9	Confident	31 Å²	31	75.1 Å²	75.1	32%	0.32	39%	0.391	S	S	.	.	S	Bend	trans	94.3	-3.3	178.5	0	0	0	0	0	115.3	C206 A207	C206-G209 PolarHBondContact O-N 2.95Å; A207-G209 PolarHBondContact O-N 2.83Å
210	R	75.7	Confident	80.8	Confident	80 Å²	80	75.8 Å²	75.8	30%	0.302	39%	0.388	S	S	.	.			trans	-65.9	144	174	-158.6	176.3	-172.4	-163.8	3.6	110.1	D177 C206 N208 D223	D177-R210 PolarHBondContact O-NE 2.91Å; D177-R210 PolarHBondContact O-NH2 3.15Å; C206-R210 HydrophobicContact CB-CB 4.15Å; C206-R210 VanDerWaalsContact CB-O 3.27Å; C206-R210 WeakPolarHBondContact CB-O 3.38Å; C206-R210 PolarHBondContact N-O 2.88Å; C206-R210 PolarHBondContact SG-O 2.95Å; C206-R210 VanDerWaalsContact SG-O 3.33Å; N208-R210 VanDerWaalsContact OD1-CB 3.29Å; N208-R210 WeakPolarHBondContact OD1-CB 3.44Å; N208-R210 PolarHBondContact OD1-N 3.12Å; R210-D223 PolarHBondContact NH1-O 3.32Å
211	C	82.4	Confident	81	Confident	28 Å²	28	71.2 Å²	71.2	19%	0.189	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.4	173.5	-55.5	0	0	0	0	107.8	C198 E203 F204	C198-C211 WeakPolarHBondContact CA-SG 3.42Å; C198-C211 HydrophobicContact CB-CB 3.74Å; C198-C211 WeakPolarHBondContact CB-SG 3.36Å; C198-C211 VanDerWaalsContact SG-CA 3.53Å; C198-C211 WeakPolarHBondContact SG-CB 3.03Å; C198-C211 CovalentContact SG-SG 2.02Å; C198-C211 PolarHBondContact SG-SG 3.36Å; E203-C211 HydrophobicContact CB-CB 4.33Å; F204-C211 WeakPolarHBondContact O-CA 3Å
212	I	82.6	Confident	81.4	Confident	5 Å²	5	69.9 Å²	69.9	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.9	173.6	62	172.8	0	0	0	108.8	E203 F204 K214 W216 D223 D229	E203-I212 CarbonylContact C-O 3.52Å; E203-I212 WeakPolarHBondContact CA-O 3.34Å; F204-I212 HydrophobicContact CB-CD1 4.47Å; F204-I212 HydrophobicContact CB-CG1 3.93Å; F204-I212 HydrophobicContact CD1-CD1 3.89Å; F204-I212 HydrophobicContact CD1-CG1 3.94Å; F204-I212 HydrophobicContact CG-CG1 4.44Å; F204-I212 PolarHBondContact N-O 3.36Å; F204-I212 PolarHBondContact O-N 3.14Å; I212-K214 PolarHBondContact O-N 3.43Å; I212-W216 HydrophobicContact CB-CE3 4.06Å; I212-W216 HydrophobicContact CD1-CB 3.93Å; I212-W216 HydrophobicContact CG1-CB 4.46Å; I212-W216 HydrophobicContact CG2-CE3 4.41Å; I212-D223 HydrophobicContact CB-CB 4.46Å; I212-D223 HydrophobicContact CD1-CB 3.92Å; I212-D223 HydrophobicContact CG2-CB 4.01Å; I212-D229 HydrophobicContact CD1-CB 3.63Å
213	P	82	Confident	81.7	Confident	57 Å²	57	66.7 Å²	66.7	37%	0.37	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49	134.6	167.3	-27.1	34.8	0	0	0	111	N202 V215 W216	N202-P213 CarbonylContact O-C 3.55Å; P213-V215 HydrophobicContact CB-CG1 4.41Å; P213-V215 PolarHBondContact O-N 2.79Å; P213-W216 HydrophobicContact CB-CD2 4.19Å; P213-W216 HydrophobicContact CB-CG 4.28Å; P213-W216 VanDerWaalsContact CD-CE3 3.49Å; P213-W216 HydrophobicContact CG-CD2 3.98Å; P213-W216 HydrophobicContact CG-CE3 4.1Å; P213-W216 HydrophobicContact CG-CH2 4.28Å; P213-W216 HydrophobicContact CG-CZ2 4.17Å; P213-W216 HydrophobicContact CG-CZ3 4.25Å; P213-W216 VanDerWaalsContact O-CB 3.31Å; P213-W216 WeakPolarHBondContact O-CB 3.37Å; P213-W216 PolarHBondContact O-N 2.87Å
214	K	81.2	Confident	81.8	Confident	101 Å²	101	64.2 Å²	64.2	44%	0.439	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.5	-177.3	-166.6	173.8	-176.1	174.6	0	113.4	V201 N202 I212 W216 E217	V201-K214 WeakPolarHBondContact O-CD 3.36Å; N202-K214 WeakPolarHBondContact O-CB 3.28Å; N202-K214 PolarHBondContact O-N 2.04Å; I212-K214 PolarHBondContact O-N 3.43Å; K214-W216 PolarHBondContact O-N 3.16Å; K214-E217 WeakPolarHBondContact O-CB 3.1Å; K214-E217 PolarHBondContact O-N 3Å
215	V	81.5	Confident	81.5	Confident	117 Å²	117	65 Å²	65	71%	0.709	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-69.5	-17.3	173.6	91.6	0	0	0	0	112.6	P213	P213-V215 HydrophobicContact CB-CG1 4.41Å; P213-V215 PolarHBondContact O-N 2.79Å
216	W	85	Confident	81.6	Confident	110 Å²	110	60.1 Å²	60.1	42%	0.417	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-93.2	6.4	175	-57.2	-11.6	0	0	0	112.3	I212 P213 K214 D219 D223	I212-W216 HydrophobicContact CB-CE3 4.06Å; I212-W216 HydrophobicContact CD1-CB 3.93Å; I212-W216 HydrophobicContact CG1-CB 4.46Å; I212-W216 HydrophobicContact CG2-CE3 4.41Å; P213-W216 HydrophobicContact CB-CD2 4.19Å; P213-W216 HydrophobicContact CB-CG 4.28Å; P213-W216 VanDerWaalsContact CD-CE3 3.49Å; P213-W216 HydrophobicContact CG-CD2 3.98Å; P213-W216 HydrophobicContact CG-CE3 4.1Å; P213-W216 HydrophobicContact CG-CH2 4.28Å; P213-W216 HydrophobicContact CG-CZ2 4.17Å; P213-W216 HydrophobicContact CG-CZ3 4.25Å; P213-W216 VanDerWaalsContact O-CB 3.31Å; P213-W216 WeakPolarHBondContact O-CB 3.37Å; P213-W216 PolarHBondContact O-N 2.87Å; K214-W216 PolarHBondContact O-N 3.16Å; W216-D219 WeakPolarHBondContact CA-OD2 3.19Å; W216-D223 HydrophobicContact CB-CB 4.18Å; W216-D223 WeakPolarHBondContact CB-OD2 3.29Å; W216-D223 HydrophobicContact CD2-CB 4.43Å; W216-D223 HydrophobicContact CE3-CB 3.74Å
217	E	84.7	Confident	81.4	Confident	62 Å²	62	64 Å²	64	29%	0.29	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	120.6	167.6	-174.7	-177.1	-177.1	0	0	108.5	F204 K214 H231	F204-E217 HydrophobicContact CB-CB 4.19Å; F204-E217 HydrophobicContact CD2-CB 4.19Å; F204-E217 HydrophobicContact CD2-CG 3.69Å; F204-E217 WeakPolarHBondContact CD2-OE1 3.31Å; F204-E217 WeakPolarHBondContact CD2-OE2 3.25Å; F204-E217 VanDerWaalsContact CE2-CD 3.5Å; F204-E217 HydrophobicContact CE2-CG 3.89Å; F204-E217 VanDerWaalsContact CE2-OE1 3.3Å; F204-E217 WeakPolarHBondContact CE2-OE1 3.35Å; F204-E217 HydrophobicContact CG-CB 4.12Å; F204-E217 HydrophobicContact CG-CG 4.09Å; F204-E217 HydrophobicContact CZ-CG 4.45Å; K214-E217 WeakPolarHBondContact O-CB 3.1Å; K214-E217 PolarHBondContact O-N 3Å; E217-H231 IonicContact OE1-NE2 2.9Å
218	C	83.9	Confident	81.7	Confident	40 Å²	40	61.2 Å²	61.2	27%	0.27	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	32.4	179.7	-56.2	0	0	0	0	115.9	D229 E230 C234 Y236	C218-D229 PolarHBondContact N-O 2.03Å; C218-E230 VanDerWaalsContact C-OE1 3.22Å; C218-E230 WeakPolarHBondContact CA-OE1 3.31Å; C218-E230 PolarHBondContact N-OE1 3.16Å; C218-C234 VanDerWaalsContact CA-SG 3.56Å; C218-C234 HydrophobicContact CB-CB 3.65Å; C218-C234 WeakPolarHBondContact CB-SG 3.13Å; C218-C234 VanDerWaalsContact SG-CA 3.56Å; C218-C234 WeakPolarHBondContact SG-CB 3.5Å; C218-C234 CovalentContact SG-SG 2.03Å; C218-C234 PolarHBondContact SG-SG 3.16Å; C218-Y236 HydrophobicContact CB-CE1 4.36Å
219	D	76.3	Confident	81.9	Confident	55 Å²	55	56.9 Å²	56.9	29%	0.294	31%	0.31	S	S	.	.	S	Bend	trans	-94.7	-0.6	176.9	74.8	-2	0	0	0	114.3	W216 D221 E230	W216-D219 WeakPolarHBondContact CA-OD2 3.19Å; D219-D221 VanDerWaalsContact C-N 3.32Å; D219-D221 PolarHBondContact OD1-N 3.16Å; D219-E230 PolarHBondContact N-OE1 2.8Å
220	R	72.8	Confident	82.3	Confident	83 Å²	83	56.2 Å²	56.2	31%	0.313	30%	0.299	S	S	.	.	S	Bend	trans	80.2	0.4	-179.3	-56	171	165.8	-87.9	-14.4	115.4	E230 Y236 D248 K249	R220-E230 VanDerWaalsContact CA-OE2 3.27Å; R220-E230 WeakPolarHBondContact CA-OE2 3.21Å; R220-E230 PolarHBondContact N-OE1 3.08Å; R220-E230 PolarHBondContact N-OE2 3.1Å; R220-Y236 HydrophobicContact CG-CD1 3.68Å; R220-Y236 HydrophobicContact CG-CE1 3.64Å; R220-D248 WeakPolarHBondContact CD-O 3.23Å; R220-D248 PolarHBondContact NE-O 2.76Å; R220-D248 PolarHBondContact NH1-O 3.42Å; R220-K249 PolarHBondContact NE-O 2.73Å
221	D	78.8	Confident	82.5	Confident	92 Å²	92	55.6 Å²	55.6	49%	0.492	30%	0.299	S	S	.	.	S	Bend	trans	-97.1	151.3	169.8	-74.9	-33.7	0	0	0	110	D219 D223 E230	D219-D221 VanDerWaalsContact C-N 3.32Å; D219-D221 PolarHBondContact OD1-N 3.16Å; D221-D223 PolarHBondContact O-N 3.37Å; D221-E230 WeakPolarHBondContact O-CG 3.37Å
222	N	83.8	Confident	82.2	Confident	74 Å²	74	62.7 Å²	62.7	40%	0.396	34%	0.335	S	S	.	.			trans	-94.5	72.5	179.6	176.8	15.3	0	0	0	109.1	C224 G225 D226 N227	N222-C224 VanDerWaalsContact C-N 3.32Å; N222-G225 PolarHBondContact ND2-O 3.05Å; N222-G225 PolarHBondContact O-N 2.85Å; N222-G225 WeakPolarHBondContact OD1-CA 3.3Å; N222-G225 PolarHBondContact OD1-N 3.18Å; N222-D226 PolarHBondContact OD1-N 3.48Å; N222-N227 VanDerWaalsContact OD1-CA 3.24Å; N222-N227 WeakPolarHBondContact OD1-CA 2.97Å; N222-N227 PolarHBondContact OD1-N 3.11Å
223	D	83.8	Confident	81.7	Confident	37 Å²	37	71.2 Å²	71.2	20%	0.198	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.6	178.2	-64	-65.3	0	0	0	112.2	R210 I212 W216 D221 G225 D229	R210-D223 PolarHBondContact NH1-O 3.32Å; I212-D223 HydrophobicContact CB-CB 4.46Å; I212-D223 HydrophobicContact CD1-CB 3.92Å; I212-D223 HydrophobicContact CG2-CB 4.01Å; W216-D223 HydrophobicContact CB-CB 4.18Å; W216-D223 WeakPolarHBondContact CB-OD2 3.29Å; W216-D223 HydrophobicContact CD2-CB 4.43Å; W216-D223 HydrophobicContact CE3-CB 3.74Å; D221-D223 PolarHBondContact O-N 3.37Å; D223-G225 PolarHBondContact O-N 3.44Å; D223-D229 WeakPolarHBondContact CA-OD2 3.36Å; D223-D229 WeakPolarHBondContact CB-OD2 3.48Å; D223-D229 PolarHBondContact N-OD2 3.1Å
224	C	85	Confident	81.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.6	172.7	-77.7	0	0	0	0	113.1	C206 N208 N222 D226 D229	C206-C224 VanDerWaalsContact CA-SG 3.52Å; C206-C224 HydrophobicContact CB-CB 3.55Å; C206-C224 WeakPolarHBondContact CB-SG 3.44Å; C206-C224 WeakPolarHBondContact SG-CA 3.15Å; C206-C224 WeakPolarHBondContact SG-CB 3.27Å; C206-C224 CovalentContact SG-SG 2.01Å; C206-C224 PolarHBondContact SG-SG 2.03Å; N208-C224 PolarHBondContact ND2-O 2.88Å; N222-C224 VanDerWaalsContact C-N 3.32Å; C224-D226 VanDerWaalsContact CB-OD1 3.23Å; C224-D226 WeakPolarHBondContact CB-OD1 3.46Å; C224-D226 PolarHBondContact O-N 2.84Å; C224-D226 VanDerWaalsContact O-N 3.1Å; C224-D229 HydrophobicContact CB-CB 4.36Å; C224-D229 PolarHBondContact N-OD2 2.03Å; C224-D229 VanDerWaalsContact SG-CB 3.56Å; C224-D229 VanDerWaalsContact SG-CG 3.58Å; C224-D229 PolarHBondContact SG-N 3.4Å; C224-D229 VanDerWaalsContact SG-N 3.4Å
225	G	80.1	Confident	80.1	Confident	51 Å²	51	69.2 Å²	69.2	53%	0.526	37%	0.372	S	S	.	.	S	Bend	trans	73.4	-21.8	-169.8	0	0	0	0	0	114.2	N222 D223	N222-G225 PolarHBondContact ND2-O 3.05Å; N222-G225 PolarHBondContact O-N 2.85Å; N222-G225 WeakPolarHBondContact OD1-CA 3.3Å; N222-G225 PolarHBondContact OD1-N 3.18Å; D223-G225 PolarHBondContact O-N 3.44Å
226	D	86.3	Confident	79	Confident	62 Å²	62	66.9 Å²	66.9	33%	0.332	35%	0.351	S	S	.	.	S	Bend	trans	-110.3	7.2	175.4	73	-1.8	0	0	0	114.3	N208 N222 C224 S228	N208-D226 HydrophobicContact CB-CB 4.45Å; N208-D226 VanDerWaalsContact CB-OD2 3.24Å; N208-D226 WeakPolarHBondContact CB-OD2 3.03Å; N208-D226 PolarHBondContact N-OD2 2.03Å; N222-D226 PolarHBondContact OD1-N 3.48Å; C224-D226 VanDerWaalsContact CB-OD1 3.23Å; C224-D226 WeakPolarHBondContact CB-OD1 3.46Å; C224-D226 PolarHBondContact O-N 2.84Å; C224-D226 VanDerWaalsContact O-N 3.1Å; D226-S228 VanDerWaalsContact C-N 3.28Å; D226-S228 PolarHBondContact O-N 2.78Å; D226-S228 WeakPolarHBondContact OD1-CB 3.33Å; D226-S228 PolarHBondContact OD1-N 2.88Å; D226-S228 VanDerWaalsContact OD1-N 3.16Å; D226-S228 PolarHBondContact OD1-OG 3.13Å; D226-S228 PolarHBondContact OD2-OG 3.4Å; D226-S228 VanDerWaalsContact OD2-OG 3.12Å
227	N	83.3	Confident	77.8	Confident	84 Å²	84	69.2 Å²	69.2	45%	0.449	37%	0.366	S	S	.	.	S	Bend	trans	65.6	25	175.5	-146.7	85.6	0	0	0	114	N222 D229 E230	N222-N227 VanDerWaalsContact OD1-CA 3.24Å; N222-N227 WeakPolarHBondContact OD1-CA 2.97Å; N222-N227 PolarHBondContact OD1-N 3.11Å; N227-D229 WeakPolarHBondContact CA-OD1 3.3Å; N227-E230 WeakPolarHBondContact ND2-CB 3.46Å; N227-E230 PolarHBondContact O-N 2.84Å
228	S	88.9	Confident	76.9	Confident	26 Å²	26	67.5 Å²	67.5	18%	0.182	36%	0.361	C	S	.	.			trans	-79.6	-26.1	-179.6	-60.3	0	0	0	0	114.8	F204 A207 D226	F204-S228 WeakPolarHBondContact CZ-O 3.33Å; A207-S228 WeakPolarHBondContact CB-OG 3.3Å; A207-S228 PolarHBondContact N-OG 2.59Å; A207-S228 VanDerWaalsContact N-OG 3.16Å; D226-S228 VanDerWaalsContact C-N 3.28Å; D226-S228 PolarHBondContact O-N 2.78Å; D226-S228 WeakPolarHBondContact OD1-CB 3.33Å; D226-S228 PolarHBondContact OD1-N 2.88Å; D226-S228 VanDerWaalsContact OD1-N 3.16Å; D226-S228 PolarHBondContact OD1-OG 3.13Å; D226-S228 PolarHBondContact OD2-OG 3.4Å; D226-S228 VanDerWaalsContact OD2-OG 3.12Å
229	D	85	Confident	76	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.373	C	S	.	.	S	Bend	trans	-59.8	-36.8	164.7	42.6	-1.3	0	0	0	111.9	F204 I212 C218 D223 C224 N227 H231	F204-D229 HydrophobicContact CD1-CB 4.39Å; F204-D229 HydrophobicContact CE1-CB 4.16Å; I212-D229 HydrophobicContact CD1-CB 3.63Å; C218-D229 PolarHBondContact N-O 2.03Å; D223-D229 WeakPolarHBondContact CA-OD2 3.36Å; D223-D229 WeakPolarHBondContact CB-OD2 3.48Å; D223-D229 PolarHBondContact N-OD2 3.1Å; C224-D229 HydrophobicContact CB-CB 4.36Å; C224-D229 PolarHBondContact N-OD2 2.03Å; C224-D229 VanDerWaalsContact SG-CB 3.56Å; C224-D229 VanDerWaalsContact SG-CG 3.58Å; C224-D229 PolarHBondContact SG-N 3.4Å; C224-D229 VanDerWaalsContact SG-N 3.4Å; N227-D229 WeakPolarHBondContact CA-OD1 3.3Å; D229-H231 VanDerWaalsContact C-N 3.32Å; D229-H231 PolarHBondContact O-N 3.02Å
230	E	85.6	Confident	75.6	Confident	17 Å²	17	73 Å²	73	8%	0.079	40%	0.396	C	S	.	.	S	Bend	trans	-94.3	50	-177.9	-65.2	-54.9	128.6	0	0	112.9	C218 D219 R220 D221 N227 Y236	C218-E230 VanDerWaalsContact C-OE1 3.22Å; C218-E230 WeakPolarHBondContact CA-OE1 3.31Å; C218-E230 PolarHBondContact N-OE1 3.16Å; D219-E230 PolarHBondContact N-OE1 2.8Å; R220-E230 VanDerWaalsContact CA-OE2 3.27Å; R220-E230 WeakPolarHBondContact CA-OE2 3.21Å; R220-E230 PolarHBondContact N-OE1 3.08Å; R220-E230 PolarHBondContact N-OE2 3.1Å; D221-E230 WeakPolarHBondContact O-CG 3.37Å; N227-E230 WeakPolarHBondContact ND2-CB 3.46Å; N227-E230 PolarHBondContact O-N 2.84Å; E230-Y236 WeakPolarHBondContact OE2-CE1 3.17Å; E230-Y236 VanDerWaalsContact OE2-CZ 3.23Å; E230-Y236 PolarHBondContact OE2-OH 3.39Å
231	H	79.7	Confident	75.3	Confident	66 Å²	66	72.9 Å²	72.9	31%	0.306	41%	0.405	S	S	.	.			trans	-71.9	155.4	-174.9	67.1	30.8	0	0	0	113.4	E217 D229 K233 C234	E217-H231 IonicContact OE1-NE2 2.9Å; D229-H231 VanDerWaalsContact C-N 3.32Å; D229-H231 PolarHBondContact O-N 3.02Å; H231-K233 PolarHBondContact ND1-N 2.89Å; H231-K233 PolarHBondContact O-N 2.78Å; H231-C234 PolarHBondContact CE1-N 2.89Å; H231-C234 PolarHBondContact CE1-SG 3.2Å; H231-C234 PolarHBondContact ND1-N 3.43Å; H231-C234 VanDerWaalsContact ND1-N 3.17Å; H231-C234 PolarHBondContact ND1-SG 2.02Å; H231-C234 WeakPolarHBondContact O-CB 3.14Å; H231-C234 PolarHBondContact O-N 2.73Å; H231-C234 PolarHBondContact O-SG 3.38Å
232	D	75.2	Confident	75.3	Confident	178 Å²	178	71 Å²	71	95%	0.952	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-19.2	-179.8	-73.1	-24.9	0	0	0	115.5
233	K	72.7	Confident	75.2	Confident	184 Å²	184	69.6 Å²	69.6	80%	0.8	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.4	178.2	-72.2	-177.1	-177.4	174.4	0	114.1	H231 S235	H231-K233 PolarHBondContact ND1-N 2.89Å; H231-K233 PolarHBondContact O-N 2.78Å; K233-S235 PolarHBondContact O-N 3.36Å; K233-S235 VanDerWaalsContact O-N 3.12Å
234	C	69	Low	75.1	Confident	12 Å²	12	71.1 Å²	71.1	8%	0.081	39%	0.391	C	S	.	.			trans	-65.2	113.5	178.3	-72.3	0	0	0	0	109.2	C218 H231 Y236	C218-C234 VanDerWaalsContact CA-SG 3.56Å; C218-C234 HydrophobicContact CB-CB 3.65Å; C218-C234 WeakPolarHBondContact CB-SG 3.13Å; C218-C234 VanDerWaalsContact SG-CA 3.56Å; C218-C234 WeakPolarHBondContact SG-CB 3.5Å; C218-C234 CovalentContact SG-SG 2.03Å; C218-C234 PolarHBondContact SG-SG 3.16Å; H231-C234 PolarHBondContact CE1-N 2.89Å; H231-C234 PolarHBondContact CE1-SG 3.2Å; H231-C234 PolarHBondContact ND1-N 3.43Å; H231-C234 VanDerWaalsContact ND1-N 3.17Å; H231-C234 PolarHBondContact ND1-SG 2.02Å; H231-C234 WeakPolarHBondContact O-CB 3.14Å; H231-C234 PolarHBondContact O-N 2.73Å; H231-C234 PolarHBondContact O-SG 3.38Å; C234-Y236 HydrophobicContact CB-CD1 4.2Å; C234-Y236 HydrophobicContact CB-CD2 4.07Å; C234-Y236 HydrophobicContact CB-CE1 3.65Å; C234-Y236 HydrophobicContact CB-CE2 3.49Å; C234-Y236 VanDerWaalsContact CB-CE2 3.49Å; C234-Y236 HydrophobicContact CB-CG 4.39Å; C234-Y236 VanDerWaalsContact O-CD2 3.27Å; C234-Y236 WeakPolarHBondContact O-CD2 3.41Å; C234-Y236 PolarHBondContact O-N 2.85Å
235	S	60.3	Low	75.1	Confident	104 Å²	104	71.1 Å²	71.1	73%	0.727	39%	0.391	S	S	*	.			trans	-83.2	90	167.9	-83.6	0	0	0	0	107.7	K233 H237	K233-S235 PolarHBondContact O-N 3.36Å; K233-S235 VanDerWaalsContact O-N 3.12Å; S235-H237 PolarHBondContact O-N 3.19Å
236	Y	59.5	Low	75.2	Confident	67 Å²	67	77 Å²	77	26%	0.263	40%	0.403	S	S	.	.			trans	-72.7	55.8	178.5	-56.2	-78.3	0	0	0	113.2	C218 R220 E230 C234 Q244	C218-Y236 HydrophobicContact CB-CE1 4.36Å; R220-Y236 HydrophobicContact CG-CD1 3.68Å; R220-Y236 HydrophobicContact CG-CE1 3.64Å; E230-Y236 WeakPolarHBondContact OE2-CE1 3.17Å; E230-Y236 VanDerWaalsContact OE2-CZ 3.23Å; E230-Y236 PolarHBondContact OE2-OH 3.39Å; C234-Y236 HydrophobicContact CB-CD1 4.2Å; C234-Y236 HydrophobicContact CB-CD2 4.07Å; C234-Y236 HydrophobicContact CB-CE1 3.65Å; C234-Y236 HydrophobicContact CB-CE2 3.49Å; C234-Y236 VanDerWaalsContact CB-CE2 3.49Å; C234-Y236 HydrophobicContact CB-CG 4.39Å; C234-Y236 VanDerWaalsContact O-CD2 3.27Å; C234-Y236 WeakPolarHBondContact O-CD2 3.41Å; C234-Y236 PolarHBondContact O-N 2.85Å; Y236-Q244 PolarHBondContact O-NE2 3.38Å
237	H	59.4	Low	74.7	Confident	159 Å²	159	77.2 Å²	77.2	74%	0.736	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-102.2	119.1	166.4	-74.4	-43.6	0	0	0	107.8	S235	S235-H237 PolarHBondContact O-N 3.19Å
238	C	65.7	Low	74.2	Confident	26 Å²	26	75.8 Å²	75.8	18%	0.176	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-53.9	142.7	169.2	-58.1	0	0	0	0	109.4	D242 Q244 C251	C238-D242 HydrophobicContact CB-CB 4.06Å; C238-Q244 HydrophobicContact CB-CB 4.32Å; C238-Q244 WeakPolarHBondContact SG-CB 3.29Å; C238-Q244 VanDerWaalsContact SG-CG 3.58Å; C238-C251 WeakPolarHBondContact CA-SG 3.38Å; C238-C251 HydrophobicContact CB-CB 3.82Å; C238-C251 WeakPolarHBondContact CB-SG 3.42Å; C238-C251 WeakPolarHBondContact SG-CA 3.25Å; C238-C251 WeakPolarHBondContact SG-CB 3.03Å; C238-C251 CovalentContact SG-SG 2.03Å; C238-C251 PolarHBondContact SG-SG 2.88Å
239	N	66.1	Low	73.4	Confident	99 Å²	99	80 Å²	80	53%	0.529	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-58.4	159.8	173.4	-170	6	0	0	0	109	T241 D242	N239-T241 PolarHBondContact ND2-OG1 3.45Å; N239-T241 PolarHBondContact O-N 3.15Å; N239-D242 WeakPolarHBondContact CB-OD2 3.2Å; N239-D242 PolarHBondContact O-N 3.47Å
240	S	66.4	Low	72.8	Confident	112 Å²	112	85.2 Å²	85.2	78%	0.783	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-8.9	178.5	56	0	0	0	0	114.1
241	T	67.1	Low	72.5	Confident	80 Å²	80	87 Å²	87	49%	0.491	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-4.6	177.9	53.7	0	0	0	0	114.1	N239 Y254	N239-T241 PolarHBondContact ND2-OG1 3.45Å; N239-T241 PolarHBondContact O-N 3.15Å; T241-Y254 WeakPolarHBondContact O-CD2 3.04Å; T241-Y254 PolarHBondContact O-N 2.95Å
242	D	78.1	Confident	72.5	Confident	54 Å²	54	84 Å²	84	29%	0.289	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.5	-171.9	-44.7	-26.2	0	0	0	109.9	C238 N239 C251 I252	C238-D242 HydrophobicContact CB-CB 4.06Å; N239-D242 WeakPolarHBondContact CB-OD2 3.2Å; N239-D242 PolarHBondContact O-N 3.47Å; D242-C251 HydrophobicContact CB-CB 4.15Å; D242-I252 CarbonylContact C-O 3.54Å; D242-I252 WeakPolarHBondContact CA-O 3.39Å
243	F	81.8	Confident	72.6	Confident	44 Å²	44	78.1 Å²	78.1	19%	0.193	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.9	176.7	174.9	-94.5	0	0	0	111	C251 I252 Y254 V257 S268 D269	F243-C251 CarbonylContact O-C 3.59Å; F243-C251 WeakPolarHBondContact O-CA 3.47Å; F243-I252 HydrophobicContact CB-CG1 3.99Å; F243-I252 HydrophobicContact CD1-CD1 3.84Å; F243-I252 HydrophobicContact CD1-CG1 3.84Å; F243-I252 HydrophobicContact CG-CG1 4.41Å; F243-I252 PolarHBondContact N-O 3.42Å; F243-I252 PolarHBondContact O-N 3.32Å; F243-Y254 HydrophobicContact CB-CD1 4.33Å; F243-Y254 HydrophobicContact CB-CE1 4.32Å; F243-Y254 HydrophobicContact CD2-CE1 4.32Å; F243-V257 HydrophobicContact CB-CG2 3.3Å; F243-V257 HydrophobicContact CD1-CG2 3.77Å; F243-V257 HydrophobicContact CD2-CG1 4.4Å; F243-V257 HydrophobicContact CD2-CG2 3.79Å; F243-V257 HydrophobicContact CE2-CG1 4.48Å; F243-V257 HydrophobicContact CG-CG2 3.35Å; F243-S268 WeakPolarHBondContact CZ-O 3.44Å; F243-D269 HydrophobicContact CE1-CB 4.21Å
244	Q	82.7	Confident	72.8	Confident	68 Å²	68	74.9 Å²	74.9	32%	0.318	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114	179.9	-167.7	159.3	42.9	0	0	111.4	Y236 C238 K249 R250	Y236-Q244 PolarHBondContact O-NE2 3.38Å; C238-Q244 HydrophobicContact CB-CB 4.32Å; C238-Q244 WeakPolarHBondContact SG-CB 3.29Å; C238-Q244 VanDerWaalsContact SG-CG 3.58Å; Q244-K249 HydrophobicContact CG-CB 4.11Å; Q244-K249 HydrophobicContact CG-CG 4.49Å; Q244-K249 PolarHBondContact NE2-O 3.48Å; Q244-R250 CarbonylContact C-O 3.6Å; Q244-R250 WeakPolarHBondContact CA-O 3.39Å
245	C	84.8	Confident	73	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.007	41%	0.413	C	S	.	.			trans	-55.6	142.2	171.2	-62.1	0	0	0	0	111.2	D248 K249 R250 C264	C245-D248 WeakPolarHBondContact CB-OD1 3.17Å; C245-K249 WeakPolarHBondContact O-CA 3.49Å; C245-K249 PolarHBondContact O-N 2.91Å; C245-K249 VanDerWaalsContact O-N 3.14Å; C245-R250 HydrophobicContact CB-CB 4.29Å; C245-R250 PolarHBondContact N-O 3.08Å; C245-C264 WeakPolarHBondContact CA-SG 3.44Å; C245-C264 HydrophobicContact CB-CB 3.65Å; C245-C264 WeakPolarHBondContact CB-SG 2.89Å; C245-C264 WeakPolarHBondContact SG-CA 3.37Å; C245-C264 WeakPolarHBondContact SG-CB 3.37Å; C245-C264 CovalentContact SG-SG 2.03Å; C245-C264 PolarHBondContact SG-SG 3.11Å
246	K	82.3	Confident	74	Confident	175 Å²	175	77.7 Å²	77.7	76%	0.761	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-32.3	-172.6	-169.6	-178.7	-174.6	171.7	0	113.1	D266 S268	K246-D266 WeakPolarHBondContact CB-OD2 3.13Å; K246-S268 WeakPolarHBondContact CB-OG 3.38Å; K246-S268 PolarHBondContact N-OG 3.02Å
247	S	74.6	Confident	75.1	Confident	66 Å²	66	75.8 Å²	75.8	46%	0.462	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-61.1	-175.8	50.9	0	0	0	0	113	D266	S247-D266 WeakPolarHBondContact CA-OD2 2.97Å; S247-D266 VanDerWaalsContact CB-CB 3.46Å; S247-D266 WeakPolarHBondContact CB-OD2 3.49Å; S247-D266 PolarHBondContact N-OD2 2.91Å; S247-D266 WeakPolarHBondContact OG-CB 3.49Å; S247-D266 PolarHBondContact OG-OD1 3.37Å; S247-D266 PolarHBondContact OG-OD2 2.74Å
248	D	73.5	Confident	75.9	Confident	53 Å²	53	71 Å²	71	28%	0.283	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-6.3	-172.9	62.3	-1	0	0	0	112.4	R220 C245 R250 P265	R220-D248 WeakPolarHBondContact CD-O 3.23Å; R220-D248 PolarHBondContact NE-O 2.76Å; R220-D248 PolarHBondContact NH1-O 3.42Å; C245-D248 WeakPolarHBondContact CB-OD1 3.17Å; D248-R250 PolarHBondContact O-N 3.05Å; D248-R250 VanDerWaalsContact OD1-CB 3.27Å; D248-R250 WeakPolarHBondContact OD1-CB 3.43Å; D248-R250 PolarHBondContact OD1-N 2.96Å; D248-R250 WeakPolarHBondContact OD2-CB 3.34Å; D248-P265 WeakPolarHBondContact OD2-CD 3.37Å; D248-P265 WeakPolarHBondContact OD2-CG 3.39Å
249	K	72.4	Confident	76.4	Confident	114 Å²	114	72.6 Å²	72.6	50%	0.496	38%	0.384	S	S	.	.			trans	59.5	22.9	-176.7	-69.1	177.5	-174.6	-176.5	0	113.4	R220 Q244 C245	R220-K249 PolarHBondContact NE-O 2.73Å; Q244-K249 HydrophobicContact CG-CB 4.11Å; Q244-K249 HydrophobicContact CG-CG 4.49Å; Q244-K249 PolarHBondContact NE2-O 3.48Å; C245-K249 WeakPolarHBondContact O-CA 3.49Å; C245-K249 PolarHBondContact O-N 2.91Å; C245-K249 VanDerWaalsContact O-N 3.14Å
250	R	72.4	Confident	76.7	Confident	111 Å²	111	71 Å²	71	42%	0.419	39%	0.39	S	S	.	.			trans	-62.7	146.1	170.6	179.3	177	177	160.3	2.1	110.4	Q244 C245 D248	Q244-R250 CarbonylContact C-O 3.6Å; Q244-R250 WeakPolarHBondContact CA-O 3.39Å; C245-R250 HydrophobicContact CB-CB 4.29Å; C245-R250 PolarHBondContact N-O 3.08Å; D248-R250 PolarHBondContact O-N 3.05Å; D248-R250 VanDerWaalsContact OD1-CB 3.27Å; D248-R250 WeakPolarHBondContact OD1-CB 3.43Å; D248-R250 PolarHBondContact OD1-N 2.96Å; D248-R250 WeakPolarHBondContact OD2-CB 3.34Å
251	C	79.8	Confident	77.2	Confident	55 Å²	55	71.5 Å²	71.5	37%	0.372	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.6	175.8	-54.3	0	0	0	0	109.5	C238 D242 F243	C238-C251 WeakPolarHBondContact CA-SG 3.38Å; C238-C251 HydrophobicContact CB-CB 3.82Å; C238-C251 WeakPolarHBondContact CB-SG 3.42Å; C238-C251 WeakPolarHBondContact SG-CA 3.25Å; C238-C251 WeakPolarHBondContact SG-CB 3.03Å; C238-C251 CovalentContact SG-SG 2.03Å; C238-C251 PolarHBondContact SG-SG 2.88Å; D242-C251 HydrophobicContact CB-CB 4.15Å; F243-C251 CarbonylContact O-C 3.59Å; F243-C251 WeakPolarHBondContact O-CA 3.47Å
252	I	78.7	Confident	77.8	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.015	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.6	171.8	62.3	171.9	0	0	0	108.8	D242 F243 Y254 W256 V257 D263 D269	D242-I252 CarbonylContact C-O 3.54Å; D242-I252 WeakPolarHBondContact CA-O 3.39Å; F243-I252 HydrophobicContact CB-CG1 3.99Å; F243-I252 HydrophobicContact CD1-CD1 3.84Å; F243-I252 HydrophobicContact CD1-CG1 3.84Å; F243-I252 HydrophobicContact CG-CG1 4.41Å; F243-I252 PolarHBondContact N-O 3.42Å; F243-I252 PolarHBondContact O-N 3.32Å; I252-Y254 PolarHBondContact O-N 3.2Å; I252-W256 HydrophobicContact CB-CB 4.49Å; I252-W256 HydrophobicContact CB-CE3 4.19Å; I252-W256 HydrophobicContact CD1-CB 4.16Å; I252-W256 HydrophobicContact CG2-CE3 4.39Å; I252-V257 HydrophobicContact CD1-CG2 4.28Å; I252-D263 HydrophobicContact CD1-CB 3.91Å; I252-D263 HydrophobicContact CG2-CB 4.15Å; I252-D269 HydrophobicContact CD1-CB 3.54Å
253	P	77.3	Confident	78	Confident	54 Å²	54	71.7 Å²	71.7	35%	0.351	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	141.6	172.5	-24.2	34.2	0	0	0	110.9	A255 W256	P253-A255 PolarHBondContact O-N 3.33Å; P253-W256 HydrophobicContact CB-CG 4.41Å; P253-W256 HydrophobicContact CG-CD2 4.09Å; P253-W256 HydrophobicContact CG-CE3 4.44Å; P253-W256 HydrophobicContact CG-CG 4.44Å; P253-W256 HydrophobicContact CG-CZ2 4.47Å; P253-W256 WeakPolarHBondContact O-CB 3.3Å; P253-W256 PolarHBondContact O-N 2.52Å
254	Y	77.6	Confident	78.1	Confident	115 Å²	115	69.7 Å²	69.7	45%	0.451	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-56.7	-21.9	175.1	-103.6	-68.3	0	0	0	113.5	T241 F243 I252 W256 V257	T241-Y254 WeakPolarHBondContact O-CD2 3.04Å; T241-Y254 PolarHBondContact O-N 2.95Å; F243-Y254 HydrophobicContact CB-CD1 4.33Å; F243-Y254 HydrophobicContact CB-CE1 4.32Å; F243-Y254 HydrophobicContact CD2-CE1 4.32Å; I252-Y254 PolarHBondContact O-N 3.2Å; Y254-W256 PolarHBondContact O-N 3.4Å; Y254-V257 HydrophobicContact CD1-CG2 4.08Å; Y254-V257 PolarHBondContact O-N 2.72Å
255	A	72.1	Confident	78	Confident	67 Å²	67	71.1 Å²	71.1	55%	0.554	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16.7	174.2	0	0	0	0	0	113.9	P253	P253-A255 PolarHBondContact O-N 3.33Å
256	W	81.1	Confident	77.9	Confident	108 Å²	108	74 Å²	74	41%	0.409	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-102.5	12.8	179.2	-60.7	-2.3	0	0	0	112	I252 P253 Y254 D263	I252-W256 HydrophobicContact CB-CB 4.49Å; I252-W256 HydrophobicContact CB-CE3 4.19Å; I252-W256 HydrophobicContact CD1-CB 4.16Å; I252-W256 HydrophobicContact CG2-CE3 4.39Å; P253-W256 HydrophobicContact CB-CG 4.41Å; P253-W256 HydrophobicContact CG-CD2 4.09Å; P253-W256 HydrophobicContact CG-CE3 4.44Å; P253-W256 HydrophobicContact CG-CG 4.44Å; P253-W256 HydrophobicContact CG-CZ2 4.47Å; P253-W256 WeakPolarHBondContact O-CB 3.3Å; P253-W256 PolarHBondContact O-N 2.52Å; Y254-W256 PolarHBondContact O-N 3.4Å; W256-D263 HydrophobicContact CB-CB 4.33Å; W256-D263 HydrophobicContact CE3-CB 4.08Å
257	V	82.9	Confident	77.8	Confident	28 Å²	28	73.3 Å²	73.3	17%	0.17	39%	0.392	C	S	.	.	S	Bend	trans	-96.1	121.6	173	-178.9	0	0	0	0	107.7	F243 I252 Y254 D259	F243-V257 HydrophobicContact CB-CG2 3.3Å; F243-V257 HydrophobicContact CD1-CG2 3.77Å; F243-V257 HydrophobicContact CD2-CG1 4.4Å; F243-V257 HydrophobicContact CD2-CG2 3.79Å; F243-V257 HydrophobicContact CE2-CG1 4.48Å; F243-V257 HydrophobicContact CG-CG2 3.35Å; I252-V257 HydrophobicContact CD1-CG2 4.28Å; Y254-V257 HydrophobicContact CD1-CG2 4.08Å; Y254-V257 PolarHBondContact O-N 2.72Å; V257-D259 VanDerWaalsContact C-N 3.26Å; V257-D259 PolarHBondContact O-N 3.37Å
258	C	77.3	Confident	78.3	Confident	57 Å²	57	70.8 Å²	70.8	39%	0.385	38%	0.375	S	S	.	.	S	Bend	trans	59.4	34.7	-175.7	-53.8	0	0	0	0	113.1	G260 D269 E270 C273	C258-G260 VanDerWaalsContact C-N 3.29Å; C258-D269 PolarHBondContact N-O 2.83Å; C258-D269 VanDerWaalsContact N-O 3.12Å; C258-E270 VanDerWaalsContact CA-OE1 3.26Å; C258-E270 WeakPolarHBondContact CA-OE1 3.36Å; C258-E270 PolarHBondContact N-OE1 3.42Å; C258-E270 VanDerWaalsContact N-OE1 3.08Å; C258-C273 VanDerWaalsContact CA-SG 3.57Å; C258-C273 HydrophobicContact CB-CB 3.93Å; C258-C273 WeakPolarHBondContact CB-SG 3.5Å; C258-C273 WeakPolarHBondContact SG-CB 3.31Å; C258-C273 CovalentContact SG-SG 2.05Å; C258-C273 PolarHBondContact SG-SG 3.2Å
259	D	75	Confident	78.9	Confident	60 Å²	60	68.3 Å²	68.3	32%	0.321	36%	0.362	S	S	.	.	S	Bend	trans	-89.9	0.7	174.7	80.8	-15.2	0	0	0	112.4	V257 Q261 E270	V257-D259 VanDerWaalsContact C-N 3.26Å; V257-D259 PolarHBondContact O-N 3.37Å; D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.32Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.48Å; D259-Q261 PolarHBondContact OD1-N 3.48Å; D259-E270 PolarHBondContact N-OE1 2.04Å
260	G	71.8	Confident	79.4	Confident	65 Å²	65	65.2 Å²	65.2	67%	0.67	35%	0.349	S	S	*	.	S	Bend	trans	83.1	0.5	-179.6	0	0	0	0	0	114.1	C258 E270	C258-G260 VanDerWaalsContact C-N 3.29Å; G260-E270 VanDerWaalsContact CA-OE2 3.31Å; G260-E270 WeakPolarHBondContact CA-OE2 3.05Å; G260-E270 PolarHBondContact N-OE2 3.44Å
261	Q	77.1	Confident	79.4	Confident	124 Å²	124	62.6 Å²	62.6	58%	0.579	35%	0.351	S	S	*	.	S	Bend	trans	-98.9	163.4	173	-54.9	-165.4	32.8	0	0	110.7	D259 E270	D259-Q261 VanDerWaalsContact C-N 3.29Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.32Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.48Å; D259-Q261 PolarHBondContact OD1-N 3.48Å; Q261-E270 WeakPolarHBondContact O-CG 3.44Å
262	L	80.9	Confident	78.8	Confident	106 Å²	106	68.2 Å²	68.2	56%	0.555	37%	0.372	S	S	*	.			trans	-105.9	78.4	-178.1	-77.3	162.2	0	0	0	108.4	R267 E270	L262-R267 HydrophobicContact CD2-CB 4.27Å; L262-R267 HydrophobicContact CD2-CG 3.1Å; L262-E270 HydrophobicContact CD2-CG 4.3Å
263	D	82.7	Confident	78.3	Confident	32 Å²	32	71 Å²	71	17%	0.171	39%	0.391	C	S	.	.			trans	-85	-28.5	-179.4	-62.4	-66.7	0	0	0	112.4	I252 W256 D269	I252-D263 HydrophobicContact CD1-CB 3.91Å; I252-D263 HydrophobicContact CG2-CB 4.15Å; W256-D263 HydrophobicContact CB-CB 4.33Å; W256-D263 HydrophobicContact CE3-CB 4.08Å; D263-D269 VanDerWaalsContact CA-OD2 3.27Å; D263-D269 WeakPolarHBondContact CA-OD2 3.46Å; D263-D269 WeakPolarHBondContact CB-OD2 3.45Å; D263-D269 PolarHBondContact N-OD2 2.83Å
264	C	83.9	Confident	77.2	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.014	41%	0.413	C	S	.	.	S	Bend	trans	-94.5	133.4	166.7	-61.5	0	0	0	0	111.9	C245 D266 R267 D269	C245-C264 WeakPolarHBondContact CA-SG 3.44Å; C245-C264 HydrophobicContact CB-CB 3.65Å; C245-C264 WeakPolarHBondContact CB-SG 2.89Å; C245-C264 WeakPolarHBondContact SG-CA 3.37Å; C245-C264 WeakPolarHBondContact SG-CB 3.37Å; C245-C264 CovalentContact SG-SG 2.03Å; C245-C264 PolarHBondContact SG-SG 3.11Å; C264-D266 PolarHBondContact O-N 3Å; C264-R267 PolarHBondContact O-N 2.92Å; C264-D269 HydrophobicContact CB-CB 4.19Å; C264-D269 VanDerWaalsContact CB-OD1 3.24Å; C264-D269 WeakPolarHBondContact CB-OD1 3.1Å; C264-D269 VanDerWaalsContact N-CG 3.28Å; C264-D269 PolarHBondContact N-OD1 3.05Å; C264-D269 PolarHBondContact N-OD2 3.12Å
265	P	79.4	Confident	75.9	Confident	98 Å²	98	79.2 Å²	79.2	64%	0.636	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.3	179.3	-24.7	33.1	0	0	0	114.7	D248	D248-P265 WeakPolarHBondContact OD2-CD 3.37Å; D248-P265 WeakPolarHBondContact OD2-CG 3.39Å
266	D	83.5	Confident	74.3	Confident	61 Å²	61	79.8 Å²	79.8	33%	0.326	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	17.1	-178.3	69.4	-30.2	0	0	0	114.7	K246 S247 C264 S268	K246-D266 WeakPolarHBondContact CB-OD2 3.13Å; S247-D266 WeakPolarHBondContact CA-OD2 2.97Å; S247-D266 VanDerWaalsContact CB-CB 3.46Å; S247-D266 WeakPolarHBondContact CB-OD2 3.49Å; S247-D266 PolarHBondContact N-OD2 2.91Å; S247-D266 WeakPolarHBondContact OG-CB 3.49Å; S247-D266 PolarHBondContact OG-OD1 3.37Å; S247-D266 PolarHBondContact OG-OD2 2.74Å; C264-D266 PolarHBondContact O-N 3Å; D266-S268 PolarHBondContact O-N 3.21Å; D266-S268 WeakPolarHBondContact OD1-CB 3.24Å; D266-S268 PolarHBondContact OD1-N 2.77Å; D266-S268 PolarHBondContact OD1-OG 3.39Å; D266-S268 PolarHBondContact OD2-OG 3.18Å
267	R	79.1	Confident	72.4	Confident	160 Å²	160	76.8 Å²	76.8	60%	0.604	44%	0.437	S	S	*	.	S	Bend	trans	61.4	25.3	-177.3	-79.2	169.3	175	-125.7	-5.1	113.4	L262 C264 D269 E270 A271	L262-R267 HydrophobicContact CD2-CB 4.27Å; L262-R267 HydrophobicContact CD2-CG 3.1Å; C264-R267 PolarHBondContact O-N 2.92Å; R267-D269 WeakPolarHBondContact CA-OD1 3.12Å; R267-E270 HydrophobicContact CB-CB 4.47Å; R267-E270 CarbonylContact O-C 3.57Å; R267-E270 PolarHBondContact O-N 3.49Å; R267-A271 WeakPolarHBondContact O-CA 3.17Å; R267-A271 WeakPolarHBondContact O-CB 3.4Å; R267-A271 PolarHBondContact O-N 3.06Å
268	S	86.7	Confident	70.5	Confident	14 Å²	14	82.1 Å²	82.1	10%	0.098	47%	0.471	C	S	.	.	S	Bend	trans	-66.5	-40.8	-178.8	-66	0	0	0	0	113.8	F243 K246 D266 E270 A271	F243-S268 WeakPolarHBondContact CZ-O 3.44Å; K246-S268 WeakPolarHBondContact CB-OG 3.38Å; K246-S268 PolarHBondContact N-OG 3.02Å; D266-S268 PolarHBondContact O-N 3.21Å; D266-S268 WeakPolarHBondContact OD1-CB 3.24Å; D266-S268 PolarHBondContact OD1-N 2.77Å; D266-S268 PolarHBondContact OD1-OG 3.39Å; D266-S268 PolarHBondContact OD2-OG 3.18Å; S268-E270 VanDerWaalsContact C-N 3.26Å; S268-A271 PolarHBondContact O-N 2.78Å
269	D	84.3	Confident	68.7	Low	1 Å²	1	83.5 Å²	83.5	1%	0.005	49%	0.487	C	S	.	.	S	Bend	trans	-58.6	-37	170.4	54.4	-26.8	0	0	0	112.4	F243 I252 C258 D263 C264 R267	F243-D269 HydrophobicContact CE1-CB 4.21Å; I252-D269 HydrophobicContact CD1-CB 3.54Å; C258-D269 PolarHBondContact N-O 2.83Å; C258-D269 VanDerWaalsContact N-O 3.12Å; D263-D269 VanDerWaalsContact CA-OD2 3.27Å; D263-D269 WeakPolarHBondContact CA-OD2 3.46Å; D263-D269 WeakPolarHBondContact CB-OD2 3.45Å; D263-D269 PolarHBondContact N-OD2 2.83Å; C264-D269 HydrophobicContact CB-CB 4.19Å; C264-D269 VanDerWaalsContact CB-OD1 3.24Å; C264-D269 WeakPolarHBondContact CB-OD1 3.1Å; C264-D269 VanDerWaalsContact N-CG 3.28Å; C264-D269 PolarHBondContact N-OD1 3.05Å; C264-D269 PolarHBondContact N-OD2 3.12Å; R267-D269 WeakPolarHBondContact CA-OD1 3.12Å
270	E	83.8	Confident	67.3	Low	49 Å²	49	87.5 Å²	87.5	23%	0.229	51%	0.505	C	S	.	.	S	Bend	trans	-99.1	3.8	-179.4	-60	-55.5	104.8	0	0	113.8	C258 D259 G260 Q261 L262 R267 S268	C258-E270 VanDerWaalsContact CA-OE1 3.26Å; C258-E270 WeakPolarHBondContact CA-OE1 3.36Å; C258-E270 PolarHBondContact N-OE1 3.42Å; C258-E270 VanDerWaalsContact N-OE1 3.08Å; D259-E270 PolarHBondContact N-OE1 2.04Å; G260-E270 VanDerWaalsContact CA-OE2 3.31Å; G260-E270 WeakPolarHBondContact CA-OE2 3.05Å; G260-E270 PolarHBondContact N-OE2 3.44Å; Q261-E270 WeakPolarHBondContact O-CG 3.44Å; L262-E270 HydrophobicContact CD2-CG 4.3Å; R267-E270 HydrophobicContact CB-CB 4.47Å; R267-E270 CarbonylContact O-C 3.57Å; R267-E270 PolarHBondContact O-N 3.49Å; S268-E270 VanDerWaalsContact C-N 3.26Å
271	A	73.1	Confident	65.8	Low	55 Å²	55	88.3 Å²	88.3	46%	0.455	50%	0.501	S	S	.	.	S	Bend	trans	-98.5	137.7	-178.6	0	0	0	0	0	110	R267 S268 C273	R267-A271 WeakPolarHBondContact O-CA 3.17Å; R267-A271 WeakPolarHBondContact O-CB 3.4Å; R267-A271 PolarHBondContact O-N 3.06Å; S268-A271 PolarHBondContact O-N 2.78Å; A271-C273 VanDerWaalsContact C-N 3.27Å; A271-C273 PolarHBondContact O-N 3.32Å
272	E	67.2	Low	64.7	Low	174 Å²	174	90.2 Å²	90.2	81%	0.813	50%	0.503	S	S	*	.	S	Bend	trans	63.9	26.3	-175.9	-58.9	-179.9	-175.1	0	0	114.4	M274	E272-M274 PolarHBondContact O-N 3.15Å
273	C	68.3	Low	63.9	Low	60 Å²	60	92.2 Å²	92.2	41%	0.405	51%	0.513	S	S	.	.			trans	-68.6	30.1	165.1	-58.2	0	0	0	0	113.4	C258 A271	C258-C273 VanDerWaalsContact CA-SG 3.57Å; C258-C273 HydrophobicContact CB-CB 3.93Å; C258-C273 WeakPolarHBondContact CB-SG 3.5Å; C258-C273 WeakPolarHBondContact SG-CB 3.31Å; C258-C273 CovalentContact SG-SG 2.05Å; C258-C273 PolarHBondContact SG-SG 3.2Å; A271-C273 VanDerWaalsContact C-N 3.27Å; A271-C273 PolarHBondContact O-N 3.32Å
274	M	53.9	Low	63.5	Low	166 Å²	166	91.3 Å²	91.3	82%	0.818	51%	0.509	S	S	*	.	S	Bend	trans	-105.7	112	174.4	-66.8	-158.7	128.6	0	0	109.6	E272 A276	E272-M274 PolarHBondContact O-N 3.15Å; M274-A276 VanDerWaalsContact C-N 3.28Å; M274-A276 PolarHBondContact O-N 3.23Å
275	D	50.4	Low	63.3	Low	177 Å²	177	93.6 Å²	93.6	95%	0.947	52%	0.519	S	S	*	.	S	Bend	trans	59.3	9.3	165.7	-66	-29	0	0	0	119
276	A	37	Very low	63.4	Low	78 Å²	78	94.5 Å²	94.5	65%	0.645	52%	0.524	S	S	*	.			trans	-151.2	91.9	177.8	0	0	0	0	0	115.2	M274	M274-A276 VanDerWaalsContact C-N 3.28Å; M274-A276 PolarHBondContact O-N 3.23Å
277	S	42.8	Very low	63.4	Low	46 Å²	46	93.6 Å²	93.6	32%	0.322	52%	0.517	S	S	.	.			trans	-127.4	100.6	151.7	-153.5	0	0	0	0	109.2	A279 M280 S281	S277-A279 PolarHBondContact O-N 3.42Å; S277-M280 PolarHBondContact O-N 3.17Å; S277-S281 PolarHBondContact O-N 3.08Å
278	P	42.1	Very low	63.7	Low	139 Å²	139	86.9 Å²	86.9	90%	0.903	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	9.1	-177.7	-16.9	30.5	0	0	0	115.2
279	A	39.6	Very low	63.7	Low	86 Å²	86	89.2 Å²	89.2	71%	0.711	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	0	-179.8	0	0	0	0	0	114.9	S277	S277-A279 PolarHBondContact O-N 3.42Å
280	M	46.2	Very low	63.8	Low	144 Å²	144	94.2 Å²	94.2	71%	0.709	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.9	17.1	170.4	-144.4	83.9	77.8	0	0	114	S277 R282	S277-M280 PolarHBondContact O-N 3.17Å; M280-R282 PolarHBondContact O-N 3.22Å
281	S	40.2	Very low	63.9	Low	83 Å²	83	92.1 Å²	92.1	58%	0.58	51%	0.514	S	S	*	.			trans	-77.7	70.6	158.3	-76.6	0	0	0	0	109.2	S277 I283	S277-S281 PolarHBondContact O-N 3.08Å; S281-I283 PolarHBondContact O-N 2.74Å
282	R	53.8	Low	64.5	Low	163 Å²	163	98.1 Å²	98.1	62%	0.615	53%	0.525	S	S	*	.			trans	-66.6	94.1	152.3	-89	-169	-175.9	-172.6	4	105.1	M280 C284	M280-R282 PolarHBondContact O-N 3.22Å; R282-C284 PolarHBondContact O-N 2.94Å
283	I	64.6	Low	65	Low	148 Å²	148	93.4 Å²	93.4	76%	0.759	51%	0.506	S	S	*	.			trans	-52.1	112.1	162.5	-64.5	170.5	0	0	0	104.4	S281 K285	S281-I283 PolarHBondContact O-N 2.74Å; I283-K285 PolarHBondContact O-N 3.47Å
284	C	73.6	Confident	65.4	Low	13 Å²	13	92.2 Å²	92.2	9%	0.088	50%	0.503	C	S	.	.			trans	-50.7	144.2	178.5	-57.4	0	0	0	0	108.8	R282 E288 Q290 C296	R282-C284 PolarHBondContact O-N 2.94Å; C284-E288 HydrophobicContact CB-CB 3.63Å; C284-Q290 HydrophobicContact CB-CB 4.48Å; C284-Q290 VanDerWaalsContact SG-CA 3.6Å; C284-Q290 VanDerWaalsContact SG-CB 3.51Å; C284-C296 WeakPolarHBondContact CA-SG 2.88Å; C284-C296 HydrophobicContact CB-CB 3.7Å; C284-C296 WeakPolarHBondContact CB-SG 3.42Å; C284-C296 VanDerWaalsContact SG-CA 3.51Å; C284-C296 WeakPolarHBondContact SG-CB 3.26Å; C284-C296 CovalentContact SG-SG 2.03Å; C284-C296 PolarHBondContact SG-SG 2.78Å
285	K	79.1	Confident	66.5	Low	51 Å²	51	86 Å²	86	22%	0.222	48%	0.478	C	S	.	.			trans	-56.8	155.1	-178.5	-70	172.5	170.6	-177.5	0	109	I283 Y287 E288 D598 D619 E620	I283-K285 PolarHBondContact O-N 3.47Å; K285-Y287 HydrophobicContact CB-CD1 3.92Å; K285-Y287 HydrophobicContact CB-CE1 3.42Å; K285-Y287 VanDerWaalsContact CB-CE1 3.42Å; K285-Y287 HydrophobicContact CB-CE2 4.43Å; K285-Y287 HydrophobicContact CD-CE1 3.68Å; K285-Y287 WeakPolarHBondContact CD-OH 3.4Å; K285-Y287 HydrophobicContact CG-CE1 4.16Å; K285-Y287 PolarHBondContact NZ-OH 3.33Å; K285-Y287 PolarHBondContact O-N 3.15Å; K285-E288 HydrophobicContact CB-CG 4.31Å; K285-E288 PolarHBondContact N-OE2 2.9Å; K285-E288 WeakPolarHBondContact O-CA 3.41Å; K285-E288 WeakPolarHBondContact O-CB 3.4Å; K285-E288 PolarHBondContact O-N 2.99Å; K285-D598 IonicContact NZ-OD1 2.72Å; K285-D598 PolarHBondContact NZ-OD1 2.87Å; K285-D598 IonicContact NZ-OD2 3.56Å; K285-D619 PolarHBondContact NZ-O 3.05Å; K285-D619 IonicContact NZ-OD1 3.83Å; K285-D619 PolarHBondContact NZ-OD1 2.97Å; K285-E620 WeakPolarHBondContact CE-OE1 3.4Å; K285-E620 IonicContact NZ-OE1 3.82Å; K285-E620 PolarHBondContact NZ-OE1 2.65Å
286	P	82.4	Confident	68	Low	117 Å²	117	79.6 Å²	79.6	76%	0.76	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.5	-172.4	-28.3	35.2	0	0	0	115.8	K299	P286-K299 VanDerWaalsContact O-CE 3.23Å; P286-K299 WeakPolarHBondContact O-CE 3.3Å; P286-K299 PolarHBondContact O-NZ 3.21Å
287	Y	82.5	Confident	70	Confident	42 Å²	42	76.3 Å²	76.3	17%	0.165	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.9	176.6	63.3	-95.7	0	0	0	113.6	K285 K299 D619 E620 A640	K285-Y287 HydrophobicContact CB-CD1 3.92Å; K285-Y287 HydrophobicContact CB-CE1 3.42Å; K285-Y287 VanDerWaalsContact CB-CE1 3.42Å; K285-Y287 HydrophobicContact CB-CE2 4.43Å; K285-Y287 HydrophobicContact CD-CE1 3.68Å; K285-Y287 WeakPolarHBondContact CD-OH 3.4Å; K285-Y287 HydrophobicContact CG-CE1 4.16Å; K285-Y287 PolarHBondContact NZ-OH 3.33Å; K285-Y287 PolarHBondContact O-N 3.15Å; Y287-K299 VanDerWaalsContact O-CB 3.23Å; Y287-K299 WeakPolarHBondContact O-CB 3.09Å; Y287-K299 VanDerWaalsContact O-CG 3.25Å; Y287-K299 WeakPolarHBondContact O-CG 3.29Å; Y287-K299 PolarHBondContact O-N 2.87Å; Y287-D619 WeakPolarHBondContact CE1-OD1 3.46Å; Y287-D619 WeakPolarHBondContact CE1-OD2 3.26Å; Y287-D619 VanDerWaalsContact CZ-CG 3.47Å; Y287-D619 PolarHBondContact OH-OD1 3.24Å; Y287-D619 PolarHBondContact OH-OD2 3.25Å; Y287-D619 VanDerWaalsContact OH-OD2 3.08Å; Y287-E620 PolarHBondContact OH-OE1 3.07Å; Y287-A640 HydrophobicContact CD1-CB 3.68Å; Y287-A640 HydrophobicContact CD2-CB 4.05Å; Y287-A640 HydrophobicContact CE1-CB 3.98Å; Y287-A640 HydrophobicContact CE2-CB 4.36Å; Y287-A640 HydrophobicContact CG-CB 3.71Å
288	E	85.3	Confident	71.8	Confident	19 Å²	19	74.2 Å²	74.2	9%	0.089	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.1	179.1	-68.6	167.4	-179.8	0	0	111.4	C284 K285 C296 V297 K299	C284-E288 HydrophobicContact CB-CB 3.63Å; K285-E288 HydrophobicContact CB-CG 4.31Å; K285-E288 PolarHBondContact N-OE2 2.9Å; K285-E288 WeakPolarHBondContact O-CA 3.41Å; K285-E288 WeakPolarHBondContact O-CB 3.4Å; K285-E288 PolarHBondContact O-N 2.99Å; E288-C296 HydrophobicContact CB-CB 4.27Å; E288-C296 WeakPolarHBondContact OE2-CB 3.3Å; E288-V297 CarbonylContact C-O 3.53Å; E288-V297 WeakPolarHBondContact CA-O 3.36Å; E288-V297 WeakPolarHBondContact CB-O 3.41Å; E288-K299 VanDerWaalsContact C-CG 3.46Å; E288-K299 WeakPolarHBondContact O-CE 3.2Å
289	F	86.6	Confident	73.7	Confident	63 Å²	63	73 Å²	73	28%	0.276	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.6	171.4	173.8	-100.8	0	0	0	108.2	C291 C296 V297 K299 V302 D314	F289-C291 PolarHBondContact O-N 3.11Å; F289-C296 WeakPolarHBondContact O-CA 3.27Å; F289-V297 HydrophobicContact CB-CG2 3.99Å; F289-V297 HydrophobicContact CD1-CG2 3.76Å; F289-V297 HydrophobicContact CG-CG2 4.38Å; F289-V297 PolarHBondContact N-O 3.4Å; F289-V297 PolarHBondContact O-N 3.01Å; F289-K299 HydrophobicContact CB-CG 4.08Å; F289-V302 HydrophobicContact CB-CG2 3.36Å; F289-V302 HydrophobicContact CD1-CG2 3.71Å; F289-V302 HydrophobicContact CD2-CG2 3.82Å; F289-V302 HydrophobicContact CE1-CG2 4.42Å; F289-V302 HydrophobicContact CG-CG2 3.35Å; F289-D314 HydrophobicContact CD1-CB 4.49Å; F289-D314 HydrophobicContact CE1-CB 4.33Å
290	Q	86.5	Confident	75.5	Confident	106 Å²	106	71.1 Å²	71.1	50%	0.495	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.1	172.9	-168.6	172	5.5	0	0	108.1	C284 A295	C284-Q290 HydrophobicContact CB-CB 4.48Å; C284-Q290 VanDerWaalsContact SG-CA 3.6Å; C284-Q290 VanDerWaalsContact SG-CB 3.51Å; Q290-A295 CarbonylContact C-O 3.38Å; Q290-A295 WeakPolarHBondContact CA-O 3.23Å
291	C	87.4	Confident	77.1	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.027	33%	0.327	C	S	.	.			trans	-58.2	162.1	168.2	-55.2	0	0	0	0	109.8	F289 D293 G294 A295 C309	F289-C291 PolarHBondContact O-N 3.11Å; C291-D293 VanDerWaalsContact C-N 3.25Å; C291-D293 WeakPolarHBondContact CB-OD1 3.37Å; C291-D293 PolarHBondContact O-N 3.36Å; C291-G294 PolarHBondContact O-N 2.86Å; C291-A295 HydrophobicContact CB-CB 4.08Å; C291-A295 WeakPolarHBondContact CB-O 3.35Å; C291-A295 PolarHBondContact N-O 2.77Å; C291-A295 PolarHBondContact SG-O 3.47Å; C291-A295 VanDerWaalsContact SG-O 3.34Å; C291-C309 HydrophobicContact CB-CB 3.7Å; C291-C309 WeakPolarHBondContact CB-SG 3.36Å; C291-C309 VanDerWaalsContact SG-CA 3.55Å; C291-C309 WeakPolarHBondContact SG-CB 3.22Å; C291-C309 CovalentContact SG-SG 2.02Å; C291-C309 PolarHBondContact SG-SG 3.02Å
292	R	84.2	Confident	79.2	Confident	181 Å²	181	62.1 Å²	62.1	68%	0.683	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-26.6	-178.5	-179.1	-167.2	-58.2	158	6.1	111.4	G294 D311 S313 E316	R292-G294 PolarHBondContact O-N 3.34Å; R292-D311 VanDerWaalsContact CA-OD2 3.23Å; R292-D311 WeakPolarHBondContact CA-OD2 3.44Å; R292-D311 WeakPolarHBondContact CB-OD2 3.31Å; R292-D311 PolarHBondContact N-OD2 2.74Å; R292-S313 WeakPolarHBondContact CB-OG 3.32Å; R292-S313 PolarHBondContact N-OG 3.19Å; R292-E316 IonicContact CZ-OE2 3.24Å; R292-E316 IonicContact NH1-OE2 2.92Å; R292-E316 IonicContact NH2-OE2 3.93Å; R292-E316 PolarHBondContact NH2-OE2 2.84Å
293	D	77.6	Confident	80.5	Confident	76 Å²	76	55.7 Å²	55.7	41%	0.406	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.7	168.4	66.9	7.8	0	0	0	114.5	C291 A295 P310 D311	C291-D293 VanDerWaalsContact C-N 3.25Å; C291-D293 WeakPolarHBondContact CB-OD1 3.37Å; C291-D293 PolarHBondContact O-N 3.36Å; D293-A295 VanDerWaalsContact OD1-CB 3.24Å; D293-A295 WeakPolarHBondContact OD1-CB 3.47Å; D293-A295 PolarHBondContact OD1-N 3.24Å; D293-P310 VanDerWaalsContact OD2-CB 3.25Å; D293-P310 WeakPolarHBondContact OD2-CB 3.38Å; D293-P310 VanDerWaalsContact OD2-CD 3.23Å; D293-P310 WeakPolarHBondContact OD2-CD 3.48Å; D293-P310 VanDerWaalsContact OD2-CG 3.25Å; D293-P310 WeakPolarHBondContact OD2-CG 3.28Å; D293-D311 HydrophobicContact CB-CB 4.11Å; D293-D311 PolarHBondContact N-OD2 2.65Å; D293-D311 PolarHBondContact OD2-N 3.11Å
294	G	77.4	Confident	81	Confident	34 Å²	34	48.7 Å²	48.7	35%	0.351	25%	0.254	S	S	.	.	S	Bend	trans	90.6	-4.5	-179.5	0	0	0	0	0	115.3	C291 R292	C291-G294 PolarHBondContact O-N 2.86Å; R292-G294 PolarHBondContact O-N 3.34Å
295	A	77	Confident	81	Confident	35 Å²	35	50.2 Å²	50.2	29%	0.289	27%	0.272	S	S	.	.			trans	-62.7	148.9	171.9	0	0	0	0	0	111.1	Q290 C291 D293 P310	Q290-A295 CarbonylContact C-O 3.38Å; Q290-A295 WeakPolarHBondContact CA-O 3.23Å; C291-A295 HydrophobicContact CB-CB 4.08Å; C291-A295 WeakPolarHBondContact CB-O 3.35Å; C291-A295 PolarHBondContact N-O 2.77Å; C291-A295 PolarHBondContact SG-O 3.47Å; C291-A295 VanDerWaalsContact SG-O 3.34Å; D293-A295 VanDerWaalsContact OD1-CB 3.24Å; D293-A295 WeakPolarHBondContact OD1-CB 3.47Å; D293-A295 PolarHBondContact OD1-N 3.24Å; A295-P310 HydrophobicContact CB-CG 4.31Å
296	C	83.1	Confident	80.8	Confident	43 Å²	43	50.5 Å²	50.5	29%	0.291	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.5	178	-59.5	0	0	0	0	109.5	C284 E288 F289	C284-C296 WeakPolarHBondContact CA-SG 2.88Å; C284-C296 HydrophobicContact CB-CB 3.7Å; C284-C296 WeakPolarHBondContact CB-SG 3.42Å; C284-C296 VanDerWaalsContact SG-CA 3.51Å; C284-C296 WeakPolarHBondContact SG-CB 3.26Å; C284-C296 CovalentContact SG-SG 2.03Å; C284-C296 PolarHBondContact SG-SG 2.78Å; E288-C296 HydrophobicContact CB-CB 4.27Å; E288-C296 WeakPolarHBondContact OE2-CB 3.3Å; F289-C296 WeakPolarHBondContact O-CA 3.27Å
297	V	78.9	Confident	80.7	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.6	172.5	-62.9	0	0	0	0	109.4	E288 F289 K299 D308	E288-V297 CarbonylContact C-O 3.53Å; E288-V297 WeakPolarHBondContact CA-O 3.36Å; E288-V297 WeakPolarHBondContact CB-O 3.41Å; F289-V297 HydrophobicContact CB-CG2 3.99Å; F289-V297 HydrophobicContact CD1-CG2 3.76Å; F289-V297 HydrophobicContact CG-CG2 4.38Å; F289-V297 PolarHBondContact N-O 3.4Å; F289-V297 PolarHBondContact O-N 3.01Å; V297-K299 PolarHBondContact O-N 3.17Å; V297-D308 HydrophobicContact CG1-CB 4.1Å; V297-D308 WeakPolarHBondContact CG1-O 3.47Å
298	N	80.4	Confident	80.6	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135.8	177.3	-161.4	-60.4	0	0	0	109.9	K300 F301 G639	N298-K300 PolarHBondContact O-N 2.94Å; N298-K300 VanDerWaalsContact OD1-CB 3.3Å; N298-K300 WeakPolarHBondContact OD1-CB 3.47Å; N298-K300 WeakPolarHBondContact OD1-CD 3.37Å; N298-K300 VanDerWaalsContact OD1-CG 3.31Å; N298-K300 WeakPolarHBondContact OD1-CG 3.03Å; N298-K300 PolarHBondContact OD1-N 2.88Å; N298-K300 VanDerWaalsContact OD1-N 3.09Å; N298-F301 HydrophobicContact CB-CD2 3.49Å; N298-F301 VanDerWaalsContact CB-CD2 3.49Å; N298-F301 HydrophobicContact CB-CE1 4.5Å; N298-F301 HydrophobicContact CB-CE2 3.47Å; N298-F301 VanDerWaalsContact CB-CE2 3.47Å; N298-F301 HydrophobicContact CB-CG 4.04Å; N298-F301 HydrophobicContact CB-CZ 4Å; N298-F301 WeakPolarHBondContact O-CB 3.04Å; N298-F301 PolarHBondContact O-N 2.85Å; N298-G639 PolarHBondContact ND2-O 3.15Å
299	K	82.2	Confident	80.6	Confident	114 Å²	114	47.5 Å²	47.5	50%	0.496	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-56.7	-22.8	176.9	-75	178.7	-173.9	-178.4	0	113	P286 Y287 E288 F289 V297 F301 V302	P286-K299 VanDerWaalsContact O-CE 3.23Å; P286-K299 WeakPolarHBondContact O-CE 3.3Å; P286-K299 PolarHBondContact O-NZ 3.21Å; Y287-K299 VanDerWaalsContact O-CB 3.23Å; Y287-K299 WeakPolarHBondContact O-CB 3.09Å; Y287-K299 VanDerWaalsContact O-CG 3.25Å; Y287-K299 WeakPolarHBondContact O-CG 3.29Å; Y287-K299 PolarHBondContact O-N 2.87Å; E288-K299 VanDerWaalsContact C-CG 3.46Å; E288-K299 WeakPolarHBondContact O-CE 3.2Å; F289-K299 HydrophobicContact CB-CG 4.08Å; V297-K299 PolarHBondContact O-N 3.17Å; K299-F301 PolarHBondContact O-N 3.41Å; K299-V302 PolarHBondContact O-N 2.89Å
300	K	77	Confident	80.3	Confident	45 Å²	45	49.5 Å²	49.5	20%	0.196	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64.1	-20.9	174.1	-72.5	166.6	171.6	179.9	0	113.6	N298 S323 F324 L325 A640	N298-K300 PolarHBondContact O-N 2.94Å; N298-K300 VanDerWaalsContact OD1-CB 3.3Å; N298-K300 WeakPolarHBondContact OD1-CB 3.47Å; N298-K300 WeakPolarHBondContact OD1-CD 3.37Å; N298-K300 VanDerWaalsContact OD1-CG 3.31Å; N298-K300 WeakPolarHBondContact OD1-CG 3.03Å; N298-K300 PolarHBondContact OD1-N 2.88Å; N298-K300 VanDerWaalsContact OD1-N 3.09Å; K300-S323 VanDerWaalsContact O-CB 3.31Å; K300-S323 WeakPolarHBondContact O-CB 3.45Å; K300-S323 PolarHBondContact O-OG 2.73Å; K300-F324 HydrophobicContact CG-CE1 4.19Å; K300-F324 HydrophobicContact CG-CZ 4.41Å; K300-L325 HydrophobicContact CB-CD1 4.02Å; K300-L325 HydrophobicContact CD-CD1 3.66Å; K300-L325 HydrophobicContact CG-CD1 3.99Å; K300-A640 PolarHBondContact NZ-O 3.37Å
301	F	79.7	Confident	80.1	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-95.7	-8	-176.9	-55.8	-25.7	0	0	0	113.9	N298 K299 C303 D304 D308 I662 W663 K682	N298-F301 HydrophobicContact CB-CD2 3.49Å; N298-F301 VanDerWaalsContact CB-CD2 3.49Å; N298-F301 HydrophobicContact CB-CE1 4.5Å; N298-F301 HydrophobicContact CB-CE2 3.47Å; N298-F301 VanDerWaalsContact CB-CE2 3.47Å; N298-F301 HydrophobicContact CB-CG 4.04Å; N298-F301 HydrophobicContact CB-CZ 4Å; N298-F301 WeakPolarHBondContact O-CB 3.04Å; N298-F301 PolarHBondContact O-N 2.85Å; K299-F301 PolarHBondContact O-N 3.41Å; F301-C303 PolarHBondContact O-N 2.91Å; F301-D304 VanDerWaalsContact CA-OD2 3.29Å; F301-D304 WeakPolarHBondContact CA-OD2 2.96Å; F301-D304 VanDerWaalsContact O-CG 3.29Å; F301-D308 HydrophobicContact CB-CB 4.41Å; F301-D308 WeakPolarHBondContact CB-OD2 3.29Å; F301-I662 HydrophobicContact CE1-CG2 3.46Å; F301-I662 VanDerWaalsContact CE1-CG2 3.46Å; F301-I662 HydrophobicContact CZ-CG2 3.89Å; F301-W663 HydrophobicContact CD2-CE3 4.34Å; F301-W663 HydrophobicContact CD2-CZ3 4.19Å; F301-W663 HydrophobicContact CE2-CD2 4.14Å; F301-W663 AromaticContact CE2-CE3 3.72Å; F301-W663 HydrophobicContact CE2-CE3 3.72Å; F301-W663 AromaticContact CE2-CZ3 3.96Å; F301-W663 HydrophobicContact CE2-CZ3 3.96Å; F301-W663 HydrophobicContact CZ-CD2 4.46Å; F301-W663 HydrophobicContact CZ-CE3 4.14Å; F301-K682 HydrophobicContact CD1-CD 4.43Å; F301-K682 HydrophobicContact CD1-CG 4.5Å; F301-K682 HydrophobicContact CE1-CD 4.44Å; F301-K682 HydrophobicContact CE1-CG 4.09Å
302	V	84.7	Confident	79.9	Confident	37 Å²	37	51.1 Å²	51.1	22%	0.224	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	129.9	174.5	-177.9	0	0	0	0	109.7	F289 K299 D304 D314	F289-V302 HydrophobicContact CB-CG2 3.36Å; F289-V302 HydrophobicContact CD1-CG2 3.71Å; F289-V302 HydrophobicContact CD2-CG2 3.82Å; F289-V302 HydrophobicContact CE1-CG2 4.42Å; F289-V302 HydrophobicContact CG-CG2 3.35Å; K299-V302 PolarHBondContact O-N 2.89Å; V302-D304 VanDerWaalsContact C-N 3.34Å; V302-D304 PolarHBondContact O-N 3.28Å; V302-D314 WeakPolarHBondContact CG1-O 3.38Å
303	C	81.4	Confident	80.1	Confident	27 Å²	27	43 Å²	43	18%	0.182	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	41	179.4	-63.8	0	0	0	0	113.8	F301 D314 E315 C318	F301-C303 PolarHBondContact O-N 2.91Å; C303-D314 PolarHBondContact N-O 2.8Å; C303-E315 VanDerWaalsContact CA-OE1 3.27Å; C303-E315 WeakPolarHBondContact CA-OE1 3.34Å; C303-E315 PolarHBondContact N-OE1 2.97Å; C303-C318 WeakPolarHBondContact CA-SG 3.37Å; C303-C318 HydrophobicContact CB-CB 3.64Å; C303-C318 WeakPolarHBondContact CB-SG 3.08Å; C303-C318 WeakPolarHBondContact SG-CA 3.45Å; C303-C318 WeakPolarHBondContact SG-CB 3.49Å; C303-C318 CovalentContact SG-SG 2.03Å; C303-C318 PolarHBondContact SG-SG 3.26Å
304	D	74.5	Confident	80.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-108.2	3.6	177.5	83.2	8.1	0	0	0	114.3	F301 V302 D306 E315 H326 C335 K682	F301-D304 VanDerWaalsContact CA-OD2 3.29Å; F301-D304 WeakPolarHBondContact CA-OD2 2.96Å; F301-D304 VanDerWaalsContact O-CG 3.29Å; V302-D304 VanDerWaalsContact C-N 3.34Å; V302-D304 PolarHBondContact O-N 3.28Å; D304-D306 PolarHBondContact OD1-N 3.24Å; D304-E315 PolarHBondContact N-OE1 3.18Å; D304-H326 IonicContact OD2-CE1 3.66Å; D304-H326 PolarHBondContact OD2-CE1 3.13Å; D304-H326 IonicContact OD2-ND1 3.6Å; D304-H326 IonicContact OD2-NE2 2.68Å; D304-C335 WeakPolarHBondContact O-CB 3.05Å; D304-K682 IonicContact OD1-NZ 3.4Å; D304-K682 PolarHBondContact OD1-NZ 3.07Å; D304-K682 WeakPolarHBondContact OD2-CE 3.41Å; D304-K682 IonicContact OD2-NZ 3.68Å; D304-K682 PolarHBondContact OD2-NZ 2.86Å
305	G	73.9	Confident	81	Confident	46 Å²	46	39.4 Å²	39.4	47%	0.474	23%	0.229	S	C	.	.	S	Bend	trans	89.1	-1.6	170.4	0	0	0	0	0	114.8	E315	G305-E315 WeakPolarHBondContact CA-OE2 3.42Å; G305-E315 VanDerWaalsContact N-CD 3.26Å; G305-E315 PolarHBondContact N-OE1 3.22Å; G305-E315 PolarHBondContact N-OE2 2.91Å
306	D	74.5	Confident	81.3	Confident	57 Å²	57	42 Å²	42	31%	0.305	24%	0.236	S	C	.	.	S	Bend	trans	-106.2	153.2	168.8	-59.4	-40.9	0	0	0	110.3	D304 D308 E315 K682	D304-D306 PolarHBondContact OD1-N 3.24Å; D306-D308 PolarHBondContact O-N 2.84Å; D306-E315 WeakPolarHBondContact O-CG 3.25Å; D306-K682 WeakPolarHBondContact OD2-CE 3.49Å; D306-K682 IonicContact OD2-NZ 2.63Å; D306-K682 PolarHBondContact OD2-NZ 2.65Å
307	V	79.9	Confident	80.9	Confident	90 Å²	90	47.3 Å²	47.3	55%	0.545	26%	0.261	S	S	.	.			trans	-88.7	98.9	176.6	-173.8	0	0	0	0	108.4	C309 F312	V307-C309 VanDerWaalsContact CG1-O 3.25Å; V307-C309 WeakPolarHBondContact CG1-O 3.39Å; V307-F312 HydrophobicContact CB-CD2 4.22Å; V307-F312 HydrophobicContact CG1-CB 4.32Å; V307-F312 HydrophobicContact CG1-CD2 3.88Å; V307-F312 HydrophobicContact CG2-CD2 3.42Å; V307-F312 VanDerWaalsContact CG2-CD2 3.42Å; V307-F312 HydrophobicContact CG2-CE2 3.61Å
308	D	81.1	Confident	80.7	Confident	23 Å²	23	49 Å²	49	12%	0.123	27%	0.273	C	S	.	.			trans	-101.3	-28.1	177.9	-65.7	-55.4	0	0	0	111.7	V297 F301 D306 D314 K682	V297-D308 HydrophobicContact CG1-CB 4.1Å; V297-D308 WeakPolarHBondContact CG1-O 3.47Å; F301-D308 HydrophobicContact CB-CB 4.41Å; F301-D308 WeakPolarHBondContact CB-OD2 3.29Å; D306-D308 PolarHBondContact O-N 2.84Å; D308-D314 WeakPolarHBondContact CA-OD2 3.48Å; D308-D314 VanDerWaalsContact CB-OD2 3.31Å; D308-D314 WeakPolarHBondContact CB-OD2 3.34Å; D308-D314 PolarHBondContact N-OD2 3.12Å; D308-K682 IonicContact OD1-NZ 3.62Å; D308-K682 IonicContact OD2-NZ 2.72Å; D308-K682 PolarHBondContact OD2-NZ 3.23Å
309	C	84.1	Confident	80.1	Confident	1 Å²	1	55 Å²	55	1%	0.007	31%	0.31	C	S	.	.	S	Bend	trans	-79.2	133.9	166.3	-69.7	0	0	0	0	110.8	C291 V307 D311 F312 D314	C291-C309 HydrophobicContact CB-CB 3.7Å; C291-C309 WeakPolarHBondContact CB-SG 3.36Å; C291-C309 VanDerWaalsContact SG-CA 3.55Å; C291-C309 WeakPolarHBondContact SG-CB 3.22Å; C291-C309 CovalentContact SG-SG 2.02Å; C291-C309 PolarHBondContact SG-SG 3.02Å; V307-C309 VanDerWaalsContact CG1-O 3.25Å; V307-C309 WeakPolarHBondContact CG1-O 3.39Å; C309-D311 WeakPolarHBondContact CB-OD1 3.2Å; C309-D311 PolarHBondContact O-N 2.79Å; C309-D311 VanDerWaalsContact O-N 3.1Å; C309-F312 PolarHBondContact O-N 2.98Å; C309-D314 HydrophobicContact CB-CB 4.21Å; C309-D314 VanDerWaalsContact CB-OD1 3.3Å; C309-D314 WeakPolarHBondContact CB-OD1 3.01Å; C309-D314 PolarHBondContact N-OD1 3Å; C309-D314 PolarHBondContact N-OD2 2.89Å; C309-D314 VanDerWaalsContact SG-CB 3.53Å
310	P	80.1	Confident	78.9	Confident	106 Å²	106	57 Å²	57	69%	0.688	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.5	175.6	-20.3	28.6	0	0	0	113.4	D293 A295	D293-P310 VanDerWaalsContact OD2-CB 3.25Å; D293-P310 WeakPolarHBondContact OD2-CB 3.38Å; D293-P310 VanDerWaalsContact OD2-CD 3.23Å; D293-P310 WeakPolarHBondContact OD2-CD 3.48Å; D293-P310 VanDerWaalsContact OD2-CG 3.25Å; D293-P310 WeakPolarHBondContact OD2-CG 3.28Å; A295-P310 HydrophobicContact CB-CG 4.31Å
311	D	83	Confident	78.3	Confident	48 Å²	48	63.5 Å²	63.5	26%	0.257	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.1	-179.8	71.1	-3.6	0	0	0	115.4	R292 D293 C309 S313	R292-D311 VanDerWaalsContact CA-OD2 3.23Å; R292-D311 WeakPolarHBondContact CA-OD2 3.44Å; R292-D311 WeakPolarHBondContact CB-OD2 3.31Å; R292-D311 PolarHBondContact N-OD2 2.74Å; D293-D311 HydrophobicContact CB-CB 4.11Å; D293-D311 PolarHBondContact N-OD2 2.65Å; D293-D311 PolarHBondContact OD2-N 3.11Å; C309-D311 WeakPolarHBondContact CB-OD1 3.2Å; C309-D311 PolarHBondContact O-N 2.79Å; C309-D311 VanDerWaalsContact O-N 3.1Å; D311-S313 PolarHBondContact O-N 2.7Å; D311-S313 WeakPolarHBondContact OD1-CB 3.41Å; D311-S313 PolarHBondContact OD1-N 2.87Å; D311-S313 PolarHBondContact OD1-OG 3.37Å; D311-S313 VanDerWaalsContact OD1-OG 3.05Å; D311-S313 WeakPolarHBondContact OD2-CB 3.28Å; D311-S313 PolarHBondContact OD2-OG 3.4Å
312	F	82.8	Confident	77.6	Confident	95 Å²	95	64.4 Å²	64.4	42%	0.417	36%	0.355	S	S	.	.	S	Bend	trans	66	9.9	-176.6	-169.6	-97.2	0	0	0	115.5	V307 C309 D314 E315 E316	V307-F312 HydrophobicContact CB-CD2 4.22Å; V307-F312 HydrophobicContact CG1-CB 4.32Å; V307-F312 HydrophobicContact CG1-CD2 3.88Å; V307-F312 HydrophobicContact CG2-CD2 3.42Å; V307-F312 VanDerWaalsContact CG2-CD2 3.42Å; V307-F312 HydrophobicContact CG2-CE2 3.61Å; C309-F312 PolarHBondContact O-N 2.98Å; F312-D314 VanDerWaalsContact C-N 3.26Å; F312-D314 PolarHBondContact O-N 3.46Å; F312-E315 HydrophobicContact CD1-CB 4.37Å; F312-E315 HydrophobicContact CD2-CB 4.1Å; F312-E315 HydrophobicContact CE1-CB 3.88Å; F312-E315 HydrophobicContact CE2-CB 3.6Å; F312-E315 HydrophobicContact CE2-CG 4.2Å; F312-E315 HydrophobicContact CG-CB 4.45Å; F312-E315 HydrophobicContact CZ-CB 3.46Å; F312-E315 VanDerWaalsContact CZ-CB 3.46Å; F312-E315 HydrophobicContact CZ-CG 4.48Å; F312-E315 PolarHBondContact O-N 3.44Å; F312-E316 HydrophobicContact CD1-CG 3.87Å; F312-E316 HydrophobicContact CE1-CG 4.14Å
313	S	89	Confident	76.8	Confident	11 Å²	11	63.6 Å²	63.6	8%	0.077	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.1	-174.6	-72.7	0	0	0	0	114.9	R292 D311 E315	R292-S313 WeakPolarHBondContact CB-OG 3.32Å; R292-S313 PolarHBondContact N-OG 3.19Å; D311-S313 PolarHBondContact O-N 2.7Å; D311-S313 WeakPolarHBondContact OD1-CB 3.41Å; D311-S313 PolarHBondContact OD1-N 2.87Å; D311-S313 PolarHBondContact OD1-OG 3.37Å; D311-S313 VanDerWaalsContact OD1-OG 3.05Å; D311-S313 WeakPolarHBondContact OD2-CB 3.28Å; D311-S313 PolarHBondContact OD2-OG 3.4Å; S313-E315 VanDerWaalsContact C-N 3.29Å
314	D	86.1	Confident	76	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-68.8	-25.8	175.7	53.9	-28	0	0	0	113.6	F289 V302 C303 D308 C309 F312	F289-D314 HydrophobicContact CD1-CB 4.49Å; F289-D314 HydrophobicContact CE1-CB 4.33Å; V302-D314 WeakPolarHBondContact CG1-O 3.38Å; C303-D314 PolarHBondContact N-O 2.8Å; D308-D314 WeakPolarHBondContact CA-OD2 3.48Å; D308-D314 VanDerWaalsContact CB-OD2 3.31Å; D308-D314 WeakPolarHBondContact CB-OD2 3.34Å; D308-D314 PolarHBondContact N-OD2 3.12Å; C309-D314 HydrophobicContact CB-CB 4.21Å; C309-D314 VanDerWaalsContact CB-OD1 3.3Å; C309-D314 WeakPolarHBondContact CB-OD1 3.01Å; C309-D314 PolarHBondContact N-OD1 3Å; C309-D314 PolarHBondContact N-OD2 2.89Å; C309-D314 VanDerWaalsContact SG-CB 3.53Å; F312-D314 VanDerWaalsContact C-N 3.26Å; F312-D314 PolarHBondContact O-N 3.46Å
315	E	86.7	Confident	75.3	Confident	34 Å²	34	71.8 Å²	71.8	16%	0.159	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-103.2	4.6	-178.3	-67	-59.2	129.2	0	0	113.1	C303 D304 G305 D306 F312 S313	C303-E315 VanDerWaalsContact CA-OE1 3.27Å; C303-E315 WeakPolarHBondContact CA-OE1 3.34Å; C303-E315 PolarHBondContact N-OE1 2.97Å; D304-E315 PolarHBondContact N-OE1 3.18Å; G305-E315 WeakPolarHBondContact CA-OE2 3.42Å; G305-E315 VanDerWaalsContact N-CD 3.26Å; G305-E315 PolarHBondContact N-OE1 3.22Å; G305-E315 PolarHBondContact N-OE2 2.91Å; D306-E315 WeakPolarHBondContact O-CG 3.25Å; F312-E315 HydrophobicContact CD1-CB 4.37Å; F312-E315 HydrophobicContact CD2-CB 4.1Å; F312-E315 HydrophobicContact CE1-CB 3.88Å; F312-E315 HydrophobicContact CE2-CB 3.6Å; F312-E315 HydrophobicContact CE2-CG 4.2Å; F312-E315 HydrophobicContact CG-CB 4.45Å; F312-E315 HydrophobicContact CZ-CB 3.46Å; F312-E315 VanDerWaalsContact CZ-CB 3.46Å; F312-E315 HydrophobicContact CZ-CG 4.48Å; F312-E315 PolarHBondContact O-N 3.44Å; S313-E315 VanDerWaalsContact C-N 3.29Å
316	E	83.6	Confident	75.2	Confident	90 Å²	90	70.2 Å²	70.2	42%	0.421	37%	0.366	S	S	.	.	S	Bend	trans	-86.8	142.3	174.5	-69.6	-166.7	159.9	0	0	112.7	R292 F312 C318	R292-E316 IonicContact CZ-OE2 3.24Å; R292-E316 IonicContact NH1-OE2 2.92Å; R292-E316 IonicContact NH2-OE2 3.93Å; R292-E316 PolarHBondContact NH2-OE2 2.84Å; F312-E316 HydrophobicContact CD1-CG 3.87Å; F312-E316 HydrophobicContact CE1-CG 4.14Å; E316-C318 PolarHBondContact O-N 2.03Å
317	N	76	Confident	75.4	Confident	154 Å²	154	69.8 Å²	69.8	82%	0.824	36%	0.361	S	S	*	.	S	Bend	trans	61.2	32.7	172	-157.5	25.5	0	0	0	116.1	T319	N317-T319 PolarHBondContact O-N 2.76Å
318	C	73.7	Confident	75.6	Confident	46 Å²	46	69 Å²	69	31%	0.311	35%	0.352	S	S	.	.			trans	-72.3	106.6	176.7	-57.6	0	0	0	0	112.1	C303 E316 H320	C303-C318 WeakPolarHBondContact CA-SG 3.37Å; C303-C318 HydrophobicContact CB-CB 3.64Å; C303-C318 WeakPolarHBondContact CB-SG 3.08Å; C303-C318 WeakPolarHBondContact SG-CA 3.45Å; C303-C318 WeakPolarHBondContact SG-CB 3.49Å; C303-C318 CovalentContact SG-SG 2.03Å; C303-C318 PolarHBondContact SG-SG 3.26Å; E316-C318 PolarHBondContact O-N 2.03Å; C318-H320 PolarHBondContact O-N 2.56Å
319	T	67.6	Low	75.8	Confident	128 Å²	128	67.9 Å²	67.9	79%	0.785	35%	0.346	S	S	*	.			trans	-78	26	-174.4	50	0	0	0	0	115.3	N317	N317-T319 PolarHBondContact O-N 2.76Å
320	H	57.8	Low	75.8	Confident	155 Å²	155	75.9 Å²	75.9	72%	0.718	38%	0.383	S	S	*	.	S	Bend	trans	67.7	91.2	-176.7	-66.1	-82.5	0	0	0	116	C318	C318-H320 PolarHBondContact O-N 2.56Å
321	K	64.1	Low	75.8	Confident	183 Å²	183	78.4 Å²	78.4	80%	0.796	38%	0.383	S	S	*	.			trans	-172.5	124.4	143	-99.9	162.4	-167.1	-176.3	0	107.5
322	C	65.7	Low	75.5	Confident	20 Å²	20	80.7 Å²	80.7	14%	0.135	40%	0.395	C	S	.	.			trans	-57.3	147.7	169.1	-59.7	0	0	0	0	109.7	H326 Q328 C335	C322-H326 HydrophobicContact CB-CB 3.91Å; C322-Q328 HydrophobicContact CB-CB 4.29Å; C322-Q328 WeakPolarHBondContact SG-CB 2.9Å; C322-Q328 VanDerWaalsContact SG-CG 3.6Å; C322-C335 VanDerWaalsContact CA-SG 3.54Å; C322-C335 HydrophobicContact CB-CB 3.81Å; C322-C335 WeakPolarHBondContact CB-SG 3.38Å; C322-C335 WeakPolarHBondContact SG-CA 3.43Å; C322-C335 WeakPolarHBondContact SG-CB 3.03Å; C322-C335 CovalentContact SG-SG 2.02Å; C322-C335 PolarHBondContact SG-SG 2.99Å
323	S	66.2	Low	75.2	Confident	21 Å²	21	77.5 Å²	77.5	15%	0.147	39%	0.389	C	S	.	.			trans	-49.6	152.4	170.5	174.6	0	0	0	0	111.2	K300 L325 H326	K300-S323 VanDerWaalsContact O-CB 3.31Å; K300-S323 WeakPolarHBondContact O-CB 3.45Å; K300-S323 PolarHBondContact O-OG 2.73Å; S323-L325 PolarHBondContact O-N 2.87Å; S323-H326 WeakPolarHBondContact O-CA 3.27Å; S323-H326 PolarHBondContact O-N 3Å; S323-H326 VanDerWaalsContact O-O 3.09Å
324	F	66.2	Low	74.7	Confident	159 Å²	159	82.5 Å²	82.5	70%	0.697	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.9	-178.6	71.2	-87.2	0	0	0	113.7	K300 H326	K300-F324 HydrophobicContact CG-CE1 4.19Å; K300-F324 HydrophobicContact CG-CZ 4.41Å; F324-H326 VanDerWaalsContact C-N 3.27Å
325	L	59.9	Low	74.2	Confident	41 Å²	41	83.4 Å²	83.4	22%	0.215	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.8	173.5	-68	173.2	0	0	0	113.2	K300 S323 A338 I662	K300-L325 HydrophobicContact CB-CD1 4.02Å; K300-L325 HydrophobicContact CD-CD1 3.66Å; K300-L325 HydrophobicContact CG-CD1 3.99Å; S323-L325 PolarHBondContact O-N 2.87Å; L325-A338 VanDerWaalsContact O-CB 3.25Å; L325-A338 WeakPolarHBondContact O-CB 3.33Å; L325-A338 PolarHBondContact O-N 3.32Å; L325-I662 HydrophobicContact CB-CD1 4.48Å
326	H	71.9	Confident	73.6	Confident	13 Å²	13	81.8 Å²	81.8	6%	0.06	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.6	-177.2	-68.7	83.9	0	0	0	111.1	D304 C322 S323 F324 C335 I336	D304-H326 IonicContact OD2-CE1 3.66Å; D304-H326 PolarHBondContact OD2-CE1 3.13Å; D304-H326 IonicContact OD2-ND1 3.6Å; D304-H326 IonicContact OD2-NE2 2.68Å; C322-H326 HydrophobicContact CB-CB 3.91Å; S323-H326 WeakPolarHBondContact O-CA 3.27Å; S323-H326 PolarHBondContact O-N 3Å; S323-H326 VanDerWaalsContact O-O 3.09Å; F324-H326 VanDerWaalsContact C-N 3.27Å; H326-C335 HydrophobicContact CB-CB 4.05Å; H326-I336 CarbonylContact C-O 3.54Å; H326-I336 WeakPolarHBondContact CA-O 3.42Å; H326-I336 WeakPolarHBondContact CB-O 3.06Å; H326-I336 VanDerWaalsContact CD2-C 3.44Å
327	F	78.3	Confident	72.9	Confident	47 Å²	47	77.9 Å²	77.9	21%	0.206	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.1	167.2	176.3	-99.7	0	0	0	109.6	I336 R341 S352 D353	F327-I336 HydrophobicContact CB-CD1 4.47Å; F327-I336 HydrophobicContact CB-CG1 3.89Å; F327-I336 HydrophobicContact CD1-CD1 3.91Å; F327-I336 HydrophobicContact CD1-CG1 3.93Å; F327-I336 HydrophobicContact CG-CG1 4.42Å; F327-I336 PolarHBondContact N-O 3.23Å; F327-I336 WeakPolarHBondContact O-CG1 3.13Å; F327-I336 PolarHBondContact O-N 2.96Å; F327-R341 HydrophobicContact CD2-CG 4.35Å; F327-S352 WeakPolarHBondContact CZ-O 3.27Å; F327-D353 HydrophobicContact CD1-CB 4.04Å; F327-D353 VanDerWaalsContact CE1-CA 3.45Å; F327-D353 HydrophobicContact CE1-CB 3.91Å
328	Q	82.7	Confident	72.7	Confident	73 Å²	73	72.6 Å²	72.6	34%	0.341	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.8	176.4	-170.8	167.2	30.3	0	0	110.3	C322 Q330 G333	C322-Q328 HydrophobicContact CB-CB 4.29Å; C322-Q328 WeakPolarHBondContact SG-CB 2.9Å; C322-Q328 VanDerWaalsContact SG-CG 3.6Å; Q328-Q330 PolarHBondContact O-N 2.85Å; Q328-G333 WeakPolarHBondContact CG-O 3.02Å; Q328-G333 PolarHBondContact NE2-O 3.21Å
329	C	86.4	Confident	72.3	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-60.1	132.9	171.8	-59.2	0	0	0	0	110.4	K331 G333 K334 C348 S352	C329-K331 PolarHBondContact O-N 2.99Å; C329-G333 VanDerWaalsContact O-CA 3.31Å; C329-G333 WeakPolarHBondContact O-CA 3.3Å; C329-G333 PolarHBondContact O-N 2.77Å; C329-K334 HydrophobicContact CB-CB 4.41Å; C329-K334 WeakPolarHBondContact CB-O 3.16Å; C329-K334 PolarHBondContact N-O 2.96Å; C329-K334 PolarHBondContact SG-O 2.81Å; C329-K334 VanDerWaalsContact SG-O 3.36Å; C329-C348 WeakPolarHBondContact CA-SG 3.08Å; C329-C348 HydrophobicContact CB-CB 3.7Å; C329-C348 WeakPolarHBondContact CB-SG 3.16Å; C329-C348 VanDerWaalsContact SG-CA 3.5Å; C329-C348 WeakPolarHBondContact SG-CB 3.38Å; C329-C348 CovalentContact SG-SG 2.03Å; C329-C348 PolarHBondContact SG-SG 3.03Å; C329-S352 WeakPolarHBondContact CA-OG 3.37Å
330	Q	84.7	Confident	72.7	Confident	168 Å²	168	67.9 Å²	67.9	79%	0.785	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-34.7	-168.5	-173.6	167.4	-8.1	0	0	113.5	Q328 D350 S352	Q328-Q330 PolarHBondContact O-N 2.85Å; Q330-D350 WeakPolarHBondContact CB-OD2 3.36Å; Q330-D350 PolarHBondContact N-OD2 3.36Å; Q330-S352 PolarHBondContact N-OG 3.12Å
331	K	78.8	Confident	73.6	Confident	159 Å²	159	66.3 Å²	66.3	69%	0.691	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-52.3	-175.6	-171.7	-174.3	175.8	-174.8	0	113.6	C329 D350	C329-K331 PolarHBondContact O-N 2.99Å; K331-D350 HydrophobicContact CB-CB 3.67Å; K331-D350 WeakPolarHBondContact CB-OD2 3.44Å; K331-D350 HydrophobicContact CD-CB 4.12Å; K331-D350 PolarHBondContact N-OD2 2.89Å
332	D	76.8	Confident	74.3	Confident	96 Å²	96	60 Å²	60	51%	0.513	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-6	-170.5	-59	-16.2	0	0	0	112.2	K334 S349	D332-K334 PolarHBondContact O-N 3.26Å; D332-K334 VanDerWaalsContact O-N 3.1Å; D332-S349 WeakPolarHBondContact OD2-CB 3.4Å; D332-S349 PolarHBondContact OD2-OG 3.15Å
333	G	77.1	Confident	74.4	Confident	28 Å²	28	61.6 Å²	61.6	29%	0.289	31%	0.311	S	S	.	.			trans	68.2	3.4	-176.1	0	0	0	0	0	114.3	Q328 C329	Q328-G333 WeakPolarHBondContact CG-O 3.02Å; Q328-G333 PolarHBondContact NE2-O 3.21Å; C329-G333 VanDerWaalsContact O-CA 3.31Å; C329-G333 WeakPolarHBondContact O-CA 3.3Å; C329-G333 PolarHBondContact O-N 2.77Å
334	K	77.6	Confident	74.6	Confident	117 Å²	117	63.2 Å²	63.2	51%	0.509	33%	0.331	S	S	.	.			trans	-61.4	135.2	179.2	-174.3	175.2	-176.6	177.4	0	110.6	C329 D332	C329-K334 HydrophobicContact CB-CB 4.41Å; C329-K334 WeakPolarHBondContact CB-O 3.16Å; C329-K334 PolarHBondContact N-O 2.96Å; C329-K334 PolarHBondContact SG-O 2.81Å; C329-K334 VanDerWaalsContact SG-O 3.36Å; D332-K334 PolarHBondContact O-N 3.26Å; D332-K334 VanDerWaalsContact O-N 3.1Å
335	C	76	Confident	75	Confident	19 Å²	19	59.5 Å²	59.5	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.2	174.8	-56	0	0	0	0	109.7	D304 C322 H326	D304-C335 WeakPolarHBondContact O-CB 3.05Å; C322-C335 VanDerWaalsContact CA-SG 3.54Å; C322-C335 HydrophobicContact CB-CB 3.81Å; C322-C335 WeakPolarHBondContact CB-SG 3.38Å; C322-C335 WeakPolarHBondContact SG-CA 3.43Å; C322-C335 WeakPolarHBondContact SG-CB 3.03Å; C322-C335 CovalentContact SG-SG 2.02Å; C322-C335 PolarHBondContact SG-SG 2.99Å; H326-C335 HydrophobicContact CB-CB 4.05Å
336	I	74.1	Confident	76	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.2	170.6	68.6	168.3	0	0	0	108	H326 F327 A338 Y340 D347 D353 R703	H326-I336 CarbonylContact C-O 3.54Å; H326-I336 WeakPolarHBondContact CA-O 3.42Å; H326-I336 WeakPolarHBondContact CB-O 3.06Å; H326-I336 VanDerWaalsContact CD2-C 3.44Å; F327-I336 HydrophobicContact CB-CD1 4.47Å; F327-I336 HydrophobicContact CB-CG1 3.89Å; F327-I336 HydrophobicContact CD1-CD1 3.91Å; F327-I336 HydrophobicContact CD1-CG1 3.93Å; F327-I336 HydrophobicContact CG-CG1 4.42Å; F327-I336 PolarHBondContact N-O 3.23Å; F327-I336 WeakPolarHBondContact O-CG1 3.13Å; F327-I336 PolarHBondContact O-N 2.96Å; I336-A338 PolarHBondContact O-N 3.41Å; I336-Y340 HydrophobicContact CB-CD2 4.33Å; I336-D347 HydrophobicContact CD1-CB 3.77Å; I336-D353 HydrophobicContact CD1-CB 3.57Å; I336-R703 VanDerWaalsContact CG2-NH2 3.26Å
337	P	68.2	Low	76.4	Confident	8 Å²	8	64.9 Å²	64.9	5%	0.052	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	136	174.5	-31	34.9	0	0	0	112.3	V339 Y340 L683	P337-V339 HydrophobicContact CB-CG2 3.91Å; P337-V339 PolarHBondContact O-N 2.83Å; P337-V339 VanDerWaalsContact O-N 3.11Å; P337-Y340 HydrophobicContact CB-CD2 4.02Å; P337-Y340 HydrophobicContact CB-CE2 4.11Å; P337-Y340 HydrophobicContact CB-CG 4.41Å; P337-Y340 HydrophobicContact CG-CD2 4Å; P337-Y340 HydrophobicContact CG-CE2 3.73Å; P337-Y340 WeakPolarHBondContact O-CB 3.5Å; P337-Y340 PolarHBondContact O-N 3.31Å; P337-L683 HydrophobicContact CB-CD2 3.63Å; P337-L683 HydrophobicContact CG-CD2 4.09Å
338	A	72.5	Confident	76.7	Confident	43 Å²	43	62.7 Å²	62.7	36%	0.355	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.9	-174.7	0	0	0	0	0	112.7	L325 I336 Y340 R341	L325-A338 VanDerWaalsContact O-CB 3.25Å; L325-A338 WeakPolarHBondContact O-CB 3.33Å; L325-A338 PolarHBondContact O-N 3.32Å; I336-A338 PolarHBondContact O-N 3.41Å; A338-Y340 PolarHBondContact O-N 3.18Å; A338-R341 VanDerWaalsContact O-CB 3.27Å; A338-R341 WeakPolarHBondContact O-CB 3.21Å; A338-R341 PolarHBondContact O-N 2.97Å; A338-R341 VanDerWaalsContact O-N 3.12Å
339	V	66.3	Low	76.7	Confident	69 Å²	69	62.4 Å²	62.4	42%	0.418	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65	-17.3	172.7	-60.7	0	0	0	0	113.4	P337 R341 L683	P337-V339 HydrophobicContact CB-CG2 3.91Å; P337-V339 PolarHBondContact O-N 2.83Å; P337-V339 VanDerWaalsContact O-N 3.11Å; V339-R341 VanDerWaalsContact C-N 3.32Å; V339-L683 HydrophobicContact CG2-CD1 4.46Å; V339-L683 HydrophobicContact CG2-CD2 3.53Å
340	Y	74.6	Confident	76.6	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.02	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-86.9	-2.5	174.6	-61.3	-23.2	0	0	0	113.5	I336 P337 A338 C342 N343 L683 N701	I336-Y340 HydrophobicContact CB-CD2 4.33Å; P337-Y340 HydrophobicContact CB-CD2 4.02Å; P337-Y340 HydrophobicContact CB-CE2 4.11Å; P337-Y340 HydrophobicContact CB-CG 4.41Å; P337-Y340 HydrophobicContact CG-CD2 4Å; P337-Y340 HydrophobicContact CG-CE2 3.73Å; P337-Y340 WeakPolarHBondContact O-CB 3.5Å; P337-Y340 PolarHBondContact O-N 3.31Å; A338-Y340 PolarHBondContact O-N 3.18Å; Y340-C342 PolarHBondContact O-N 3.43Å; Y340-N343 WeakPolarHBondContact CA-ND2 3.4Å; Y340-N343 PolarHBondContact O-OD1 3.12Å; Y340-L683 PolarHBondContact OH-O 3.32Å; Y340-N701 PolarHBondContact OH-OD1 3.37Å
341	R	77.1	Confident	76.5	Confident	123 Å²	123	57.7 Å²	57.7	46%	0.464	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	124.7	171.4	-175	177.8	176.5	-104	-10.2	108.9	F327 A338 V339 N343	F327-R341 HydrophobicContact CD2-CG 4.35Å; A338-R341 VanDerWaalsContact O-CB 3.27Å; A338-R341 WeakPolarHBondContact O-CB 3.21Å; A338-R341 PolarHBondContact O-N 2.97Å; A338-R341 VanDerWaalsContact O-N 3.12Å; V339-R341 VanDerWaalsContact C-N 3.32Å; R341-N343 VanDerWaalsContact C-N 3.31Å; R341-N343 PolarHBondContact O-N 3.17Å
342	C	78.4	Confident	77.1	Confident	51 Å²	51	50.6 Å²	50.6	35%	0.345	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	35.7	179.2	-55.4	0	0	0	0	113.9	Y340 G344 D353 E354 C357	Y340-C342 PolarHBondContact O-N 3.43Å; C342-G344 VanDerWaalsContact C-N 3.33Å; C342-D353 PolarHBondContact N-O 2.81Å; C342-E354 VanDerWaalsContact CA-OE1 3.24Å; C342-E354 WeakPolarHBondContact CA-OE1 3.5Å; C342-E354 PolarHBondContact N-OE1 3Å; C342-E354 VanDerWaalsContact N-OE1 3.11Å; C342-C357 WeakPolarHBondContact CA-SG 3.37Å; C342-C357 HydrophobicContact CB-CB 3.58Å; C342-C357 WeakPolarHBondContact CB-SG 3.47Å; C342-C357 WeakPolarHBondContact SG-CA 3.38Å; C342-C357 WeakPolarHBondContact SG-CB 3.35Å; C342-C357 CovalentContact SG-SG 2.02Å; C342-C357 PolarHBondContact SG-SG 2.03Å
343	N	68.4	Low	77.4	Confident	53 Å²	53	46 Å²	46	28%	0.283	27%	0.271	S	S	.	.	S	Bend	trans	-90.7	0.6	177.4	72.2	-0	0	0	0	112.4	Y340 R341 V345 D347 E354	Y340-N343 WeakPolarHBondContact CA-ND2 3.4Å; Y340-N343 PolarHBondContact O-OD1 3.12Å; R341-N343 VanDerWaalsContact C-N 3.31Å; R341-N343 PolarHBondContact O-N 3.17Å; N343-V345 VanDerWaalsContact C-N 3.29Å; N343-V345 WeakPolarHBondContact OD1-CA 3.46Å; N343-V345 WeakPolarHBondContact OD1-CB 3.01Å; N343-V345 PolarHBondContact OD1-N 3.21Å; N343-V345 PolarHBondContact OD1-O 3.34Å; N343-D347 PolarHBondContact ND2-OD2 2.91Å; N343-E354 PolarHBondContact N-OE1 3.03Å; N343-E354 PolarHBondContact OD1-OE1 3.23Å
344	G	71.4	Confident	77.9	Confident	55 Å²	55	47.5 Å²	47.5	57%	0.567	27%	0.271	S	S	*	.	S	Bend	trans	82.3	1.6	-178.4	0	0	0	0	0	114.1	C342 E354	C342-G344 VanDerWaalsContact C-N 3.33Å; G344-E354 WeakPolarHBondContact CA-OE2 3.42Å; G344-E354 PolarHBondContact N-OE1 3.32Å; G344-E354 PolarHBondContact N-OE2 3.48Å
345	V	73.2	Confident	78.1	Confident	81 Å²	81	44 Å²	44	49%	0.491	26%	0.263	S	S	.	.	S	Bend	trans	-117.9	133.2	-178.3	-178.9	0	0	0	0	108.6	N343 D347 D353 E354	N343-V345 VanDerWaalsContact C-N 3.29Å; N343-V345 WeakPolarHBondContact OD1-CA 3.46Å; N343-V345 WeakPolarHBondContact OD1-CB 3.01Å; N343-V345 PolarHBondContact OD1-N 3.21Å; N343-V345 PolarHBondContact OD1-O 3.34Å; V345-D347 PolarHBondContact O-N 3.2Å; V345-D353 VanDerWaalsContact O-OD2 3.12Å; V345-E354 WeakPolarHBondContact O-CG 3.33Å
346	K	82.5	Confident	78.1	Confident	135 Å²	135	50.5 Å²	50.5	59%	0.587	30%	0.297	S	S	*	.			trans	-74.6	89.3	175.1	-179.9	174	173.7	174.1	0	110.2	C348 S349	K346-C348 WeakPolarHBondContact CE-O 3.38Å; K346-C348 WeakPolarHBondContact CG-O 3.45Å; K346-S349 VanDerWaalsContact CE-C 3.46Å; K346-S349 WeakPolarHBondContact CE-O 3.41Å; K346-S349 PolarHBondContact NZ-O 2.66Å
347	D	80.1	Confident	78.1	Confident	31 Å²	31	52.6 Å²	52.6	17%	0.166	31%	0.311	C	S	.	.			trans	-84.2	-33.8	176.1	-88.4	-73.3	0	0	0	112.5	I336 N343 V345 D353 R703	I336-D347 HydrophobicContact CD1-CB 3.77Å; N343-D347 PolarHBondContact ND2-OD2 2.91Å; V345-D347 PolarHBondContact O-N 3.2Å; D347-D353 VanDerWaalsContact CA-OD2 3.29Å; D347-D353 WeakPolarHBondContact CA-OD2 3.16Å; D347-D353 WeakPolarHBondContact CB-OD2 3.35Å; D347-D353 PolarHBondContact N-OD2 3.33Å; D347-R703 IonicContact OD1-CZ 3.7Å; D347-R703 IonicContact OD1-NE 3.11Å; D347-R703 PolarHBondContact OD1-NE 3.4Å; D347-R703 IonicContact OD1-NH2 3.2Å; D347-R703 PolarHBondContact OD1-NH2 3.06Å
348	C	84.3	Confident	77.9	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.014	35%	0.346	C	S	.	.	S	Bend	trans	-82.3	142.2	169.3	-70.9	0	0	0	0	111.4	C329 K346 D350 G351 D353	C329-C348 WeakPolarHBondContact CA-SG 3.08Å; C329-C348 HydrophobicContact CB-CB 3.7Å; C329-C348 WeakPolarHBondContact CB-SG 3.16Å; C329-C348 VanDerWaalsContact SG-CA 3.5Å; C329-C348 WeakPolarHBondContact SG-CB 3.38Å; C329-C348 CovalentContact SG-SG 2.03Å; C329-C348 PolarHBondContact SG-SG 3.03Å; K346-C348 WeakPolarHBondContact CE-O 3.38Å; K346-C348 WeakPolarHBondContact CG-O 3.45Å; C348-D350 WeakPolarHBondContact CB-OD1 3.21Å; C348-D350 PolarHBondContact O-N 3.46Å; C348-D350 VanDerWaalsContact O-N 3.07Å; C348-G351 PolarHBondContact O-N 3.19Å; C348-D353 HydrophobicContact CB-CB 4.28Å; C348-D353 VanDerWaalsContact CB-OD1 3.28Å; C348-D353 WeakPolarHBondContact CB-OD1 3.22Å; C348-D353 PolarHBondContact N-OD1 3.33Å; C348-D353 PolarHBondContact N-OD2 3.05Å; C348-D353 VanDerWaalsContact N-OD2 3.13Å
349	S	81.9	Confident	76.7	Confident	66 Å²	66	64.9 Å²	64.9	46%	0.462	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.7	176.3	59.4	0	0	0	0	113.1	D332 K346	D332-S349 WeakPolarHBondContact OD2-CB 3.4Å; D332-S349 PolarHBondContact OD2-OG 3.15Å; K346-S349 VanDerWaalsContact CE-C 3.46Å; K346-S349 WeakPolarHBondContact CE-O 3.41Å; K346-S349 PolarHBondContact NZ-O 2.66Å
350	D	85.2	Confident	75.5	Confident	51 Å²	51	66.2 Å²	66.2	27%	0.273	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-12.4	178.3	65.5	-4.3	0	0	0	114.6	Q330 K331 C348 S352	Q330-D350 WeakPolarHBondContact CB-OD2 3.36Å; Q330-D350 PolarHBondContact N-OD2 3.36Å; K331-D350 HydrophobicContact CB-CB 3.67Å; K331-D350 WeakPolarHBondContact CB-OD2 3.44Å; K331-D350 HydrophobicContact CD-CB 4.12Å; K331-D350 PolarHBondContact N-OD2 2.89Å; C348-D350 WeakPolarHBondContact CB-OD1 3.21Å; C348-D350 PolarHBondContact O-N 3.46Å; C348-D350 VanDerWaalsContact O-N 3.07Å; D350-S352 VanDerWaalsContact C-N 3.34Å; D350-S352 VanDerWaalsContact CG-OG 3.29Å; D350-S352 VanDerWaalsContact OD1-CB 3.29Å; D350-S352 WeakPolarHBondContact OD1-CB 3.35Å; D350-S352 PolarHBondContact OD1-N 3.28Å; D350-S352 PolarHBondContact OD1-OG 3.12Å; D350-S352 PolarHBondContact OD2-OG 3.42Å
351	G	83.1	Confident	73.7	Confident	19 Å²	19	72.9 Å²	72.9	20%	0.196	43%	0.426	C	S	.	.			trans	75.8	19.2	-176.5	0	0	0	0	0	114.2	C348 D353 E354 A355	C348-G351 PolarHBondContact O-N 3.19Å; G351-D353 WeakPolarHBondContact CA-OD1 3.48Å; G351-D353 PolarHBondContact O-N 3.19Å; G351-E354 PolarHBondContact O-N 3.21Å; G351-A355 PolarHBondContact O-N 2.9Å
352	S	89.6	Confident	71.7	Confident	11 Å²	11	76.3 Å²	76.3	8%	0.077	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-67.1	-24.2	178.8	52.3	0	0	0	0	113.8	F327 C329 Q330 D350 E354 A355	F327-S352 WeakPolarHBondContact CZ-O 3.27Å; C329-S352 WeakPolarHBondContact CA-OG 3.37Å; Q330-S352 PolarHBondContact N-OG 3.12Å; D350-S352 VanDerWaalsContact C-N 3.34Å; D350-S352 VanDerWaalsContact CG-OG 3.29Å; D350-S352 VanDerWaalsContact OD1-CB 3.29Å; D350-S352 WeakPolarHBondContact OD1-CB 3.35Å; D350-S352 PolarHBondContact OD1-N 3.28Å; D350-S352 PolarHBondContact OD1-OG 3.12Å; D350-S352 PolarHBondContact OD2-OG 3.42Å; S352-E354 VanDerWaalsContact C-N 3.3Å; S352-A355 WeakPolarHBondContact O-CB 3.31Å; S352-A355 PolarHBondContact O-N 2.57Å
353	D	84	Confident	69.5	Low	0 Å²	0	78.8 Å²	78.8	0%	0	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-64.5	-31.4	172.9	55.1	-42.2	0	0	0	113.4	F327 I336 C342 V345 D347 C348 G351	F327-D353 HydrophobicContact CD1-CB 4.04Å; F327-D353 VanDerWaalsContact CE1-CA 3.45Å; F327-D353 HydrophobicContact CE1-CB 3.91Å; I336-D353 HydrophobicContact CD1-CB 3.57Å; C342-D353 PolarHBondContact N-O 2.81Å; V345-D353 VanDerWaalsContact O-OD2 3.12Å; D347-D353 VanDerWaalsContact CA-OD2 3.29Å; D347-D353 WeakPolarHBondContact CA-OD2 3.16Å; D347-D353 WeakPolarHBondContact CB-OD2 3.35Å; D347-D353 PolarHBondContact N-OD2 3.33Å; C348-D353 HydrophobicContact CB-CB 4.28Å; C348-D353 VanDerWaalsContact CB-OD1 3.28Å; C348-D353 WeakPolarHBondContact CB-OD1 3.22Å; C348-D353 PolarHBondContact N-OD1 3.33Å; C348-D353 PolarHBondContact N-OD2 3.05Å; C348-D353 VanDerWaalsContact N-OD2 3.13Å; G351-D353 WeakPolarHBondContact CA-OD1 3.48Å; G351-D353 PolarHBondContact O-N 3.19Å
354	E	86.7	Confident	68	Low	59 Å²	59	85.7 Å²	85.7	28%	0.276	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-96.8	5.6	177.2	-62.9	-56.9	119	0	0	112.7	C342 N343 G344 V345 G351 S352	C342-E354 VanDerWaalsContact CA-OE1 3.24Å; C342-E354 WeakPolarHBondContact CA-OE1 3.5Å; C342-E354 PolarHBondContact N-OE1 3Å; C342-E354 VanDerWaalsContact N-OE1 3.11Å; N343-E354 PolarHBondContact N-OE1 3.03Å; N343-E354 PolarHBondContact OD1-OE1 3.23Å; G344-E354 WeakPolarHBondContact CA-OE2 3.42Å; G344-E354 PolarHBondContact N-OE1 3.32Å; G344-E354 PolarHBondContact N-OE2 3.48Å; V345-E354 WeakPolarHBondContact O-CG 3.33Å; G351-E354 PolarHBondContact O-N 3.21Å; S352-E354 VanDerWaalsContact C-N 3.3Å
355	A	82.5	Confident	66.5	Low	43 Å²	43	88.1 Å²	88.1	36%	0.355	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	139.4	176	0	0	0	0	0	111.4	G351 S352 C357	G351-A355 PolarHBondContact O-N 2.9Å; S352-A355 WeakPolarHBondContact O-CB 3.31Å; S352-A355 PolarHBondContact O-N 2.57Å; A355-C357 VanDerWaalsContact C-N 3.34Å; A355-C357 PolarHBondContact O-N 2.89Å
356	N	76.6	Confident	65.1	Low	155 Å²	155	91.4 Å²	91.4	83%	0.829	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	34.2	178.3	-57.1	-34.2	0	0	0	115.2
357	C	72.5	Confident	64.1	Low	44 Å²	44	92.4 Å²	92.4	30%	0.297	51%	0.508	S	S	.	.			trans	-77.8	132.5	169.4	-55.5	0	0	0	0	110.1	C342 A355	C342-C357 WeakPolarHBondContact CA-SG 3.37Å; C342-C357 HydrophobicContact CB-CB 3.58Å; C342-C357 WeakPolarHBondContact CB-SG 3.47Å; C342-C357 WeakPolarHBondContact SG-CA 3.38Å; C342-C357 WeakPolarHBondContact SG-CB 3.35Å; C342-C357 CovalentContact SG-SG 2.02Å; C342-C357 PolarHBondContact SG-SG 2.03Å; A355-C357 VanDerWaalsContact C-N 3.34Å; A355-C357 PolarHBondContact O-N 2.89Å
358	E	65.3	Low	63.6	Low	169 Å²	169	91.3 Å²	91.3	79%	0.79	50%	0.502	S	S	*	.			trans	-60.3	138.3	168.3	-75.1	-173.1	168.8	0	0	108.6	S360	E358-S360 VanDerWaalsContact C-N 3.32Å; E358-S360 PolarHBondContact O-N 2.84Å; E358-S360 PolarHBondContact O-OG 3.45Å
359	P	47.8	Very low	62.9	Low	140 Å²	140	94.2 Å²	94.2	91%	0.909	52%	0.518	S	S	*	.	S	Bend	trans	-73.2	88	-171.8	28	-32	0	0	0	110.4
360	S	39.3	Very low	62.1	Low	97 Å²	97	93.1 Å²	93.1	68%	0.678	51%	0.509	S	S	*	.			trans	-130	117.6	167.6	37.6	0	0	0	0	108.9	E358	E358-S360 VanDerWaalsContact C-N 3.32Å; E358-S360 PolarHBondContact O-N 2.84Å; E358-S360 PolarHBondContact O-OG 3.45Å
361	V	38.1	Very low	61.2	Low	145 Å²	145	95 Å²	95	88%	0.879	52%	0.519	S	S	*	.	S	Bend	trans	79.2	98.9	179.7	-160.5	0	0	0	0	114.6
362	K	34.3	Very low	60.9	Low	196 Å²	196	97.6 Å²	97.6	85%	0.852	53%	0.531	S	S	*	.			trans	-64.8	136.1	171.6	-72.9	177.5	175.1	-178.9	0	109.8
363	P	33.5	Very low	60.5	Low	102 Å²	102	100.2 Å²	100.2	66%	0.662	54%	0.542	S	S	*	.			trans	-67	144.4	170.6	29.2	-32.3	0	0	0	109.5	T365	P363-T365 PolarHBondContact O-N 2.89Å
364	E	35.9	Very low	60.4	Low	199 Å²	199	101.3 Å²	101.3	93%	0.93	55%	0.547	S	S	*	.			trans	-54.7	101.1	177.1	-67.6	-178.5	158.8	0	0	110.4	K366	E364-K366 PolarHBondContact O-N 2.75Å
365	T	40.2	Very low	60	Low	105 Å²	105	102 Å²	102	64%	0.644	55%	0.552	S	S	*	*			trans	-64.7	121.3	167	45.9	0	0	0	0	107.6	P363 H367	P363-T365 PolarHBondContact O-N 2.89Å; T365-H367 PolarHBondContact O-N 2.92Å
366	K	44.5	Very low	59.8	Low	150 Å²	150	100 Å²	100	65%	0.652	54%	0.536	S	S	*	.			trans	-38.5	107.2	167.4	-122.1	179.3	177.8	178.4	0	108.8	Q15 E364 C368	Q15-K366 VanDerWaalsContact NE2-NZ 3.12Å; E364-K366 PolarHBondContact O-N 2.75Å; K366-C368 PolarHBondContact O-N 2.96Å
367	H	60.5	Low	59.5	Low	156 Å²	156	100 Å²	100	72%	0.722	53%	0.531	S	S	*	.			trans	-76.2	117.5	-171.9	-142.6	70	0	0	0	108.2	T365 D369	T365-H367 PolarHBondContact O-N 2.92Å; H367-D369 PolarHBondContact O-N 3.48Å
368	C	69	Low	59.3	Low	8 Å²	8	101.9 Å²	101.9	5%	0.054	54%	0.538	C	S	.	.			trans	-58.4	138.2	167.1	-57.1	0	0	0	0	108.6	K366 P370 Q373 D375 C381	K366-C368 PolarHBondContact O-N 2.96Å; C368-P370 WeakPolarHBondContact O-CD 3.35Å; C368-Q373 HydrophobicContact CB-CB 4.06Å; C368-D375 HydrophobicContact CB-CB 4.18Å; C368-C381 WeakPolarHBondContact CA-SG 3.41Å; C368-C381 HydrophobicContact CB-CB 3.7Å; C368-C381 WeakPolarHBondContact CB-SG 3.06Å; C368-C381 WeakPolarHBondContact SG-CA 3.07Å; C368-C381 WeakPolarHBondContact SG-CB 3.41Å; C368-C381 CovalentContact SG-SG 2.03Å; C368-C381 PolarHBondContact SG-SG 2.93Å
369	D	70.1	Confident	59.3	Low	63 Å²	63	96 Å²	96	34%	0.337	52%	0.522	S	S	.	.			trans	-61.1	110.3	176.3	171.6	6.9	0	0	0	108.5	H367 L371 T372 Q373	H367-D369 PolarHBondContact O-N 3.48Å; D369-L371 PolarHBondContact O-N 2.98Å; D369-L371 WeakPolarHBondContact OD1-CB 3.39Å; D369-L371 PolarHBondContact OD1-N 3.01Å; D369-T372 VanDerWaalsContact CG-OG1 3.29Å; D369-T372 PolarHBondContact O-N 3.12Å; D369-T372 WeakPolarHBondContact OD2-CG2 3.37Å; D369-T372 PolarHBondContact OD2-OG1 2.95Å; D369-Q373 WeakPolarHBondContact O-CA 3.32Å; D369-Q373 WeakPolarHBondContact O-CB 3.37Å; D369-Q373 PolarHBondContact O-N 3.03Å; D369-Q373 VanDerWaalsContact O-O 3.13Å
370	P	65.6	Low	60.7	Low	44 Å²	44	94.1 Å²	94.1	29%	0.286	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.8	-171.8	26.5	-34.2	0	0	0	113.2	C368 W384 R433	C368-P370 WeakPolarHBondContact O-CD 3.35Å; P370-W384 PolarHBondContact O-NE1 2.79Å; P370-W384 VanDerWaalsContact O-NE1 3.13Å; P370-R433 VanDerWaalsContact CB-NH2 3.29Å; P370-R433 PolarHBondContact O-NH1 2.54Å
371	L	66.7	Low	62.7	Low	89 Å²	89	91.4 Å²	91.4	47%	0.466	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-36.2	179.4	-67.6	168	0	0	0	112.4	D369 S435	D369-L371 PolarHBondContact O-N 2.98Å; D369-L371 WeakPolarHBondContact OD1-CB 3.39Å; D369-L371 PolarHBondContact OD1-N 3.01Å; L371-S435 WeakPolarHBondContact CD2-OG 3.11Å
372	T	76.2	Confident	64.9	Low	74 Å²	74	84.6 Å²	84.6	45%	0.454	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-20.3	-172	63.3	0	0	0	0	113.8	D369 P383 W384	D369-T372 VanDerWaalsContact CG-OG1 3.29Å; D369-T372 PolarHBondContact O-N 3.12Å; D369-T372 WeakPolarHBondContact OD2-CG2 3.37Å; D369-T372 PolarHBondContact OD2-OG1 2.95Å; T372-P383 WeakPolarHBondContact O-CA 3.2Å; T372-W384 PolarHBondContact O-N 3.07Å
373	Q	82.1	Confident	67.3	Low	66 Å²	66	77.2 Å²	77.2	31%	0.308	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.1	-172.1	-61.9	174.5	-11.2	0	0	112.7	C368 D369 C381 I382 W384	C368-Q373 HydrophobicContact CB-CB 4.06Å; D369-Q373 WeakPolarHBondContact O-CA 3.32Å; D369-Q373 WeakPolarHBondContact O-CB 3.37Å; D369-Q373 PolarHBondContact O-N 3.03Å; D369-Q373 VanDerWaalsContact O-O 3.13Å; Q373-C381 HydrophobicContact CB-CB 4.19Å; Q373-C381 HydrophobicContact CG-CB 4.46Å; Q373-I382 CarbonylContact C-O 3.58Å; Q373-I382 VanDerWaalsContact CA-O 3.25Å; Q373-I382 WeakPolarHBondContact CA-O 3.07Å; Q373-W384 PolarHBondContact O-NE1 3.49Å; Q373-W384 VanDerWaalsContact O-NE1 3.14Å
374	F	80.5	Confident	69.5	Low	23 Å²	23	74.1 Å²	74.1	10%	0.101	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.5	170	175.5	-103.4	0	0	0	109.6	C381 I382 W384 V387 D401 L430	F374-C381 WeakPolarHBondContact O-CA 3.44Å; F374-I382 HydrophobicContact CB-CG1 4Å; F374-I382 HydrophobicContact CD1-CD1 3.91Å; F374-I382 HydrophobicContact CD1-CG1 3.86Å; F374-I382 HydrophobicContact CG-CG1 4.42Å; F374-I382 PolarHBondContact N-O 3.45Å; F374-I382 PolarHBondContact O-N 3.15Å; F374-W384 HydrophobicContact CB-CD2 4.22Å; F374-W384 HydrophobicContact CB-CE3 4.01Å; F374-W384 HydrophobicContact CB-CH2 4.37Å; F374-W384 HydrophobicContact CB-CZ3 4.11Å; F374-W384 HydrophobicContact CD2-CE3 4.22Å; F374-W384 AromaticContact CD2-CH2 3.62Å; F374-W384 HydrophobicContact CD2-CH2 3.62Å; F374-W384 HydrophobicContact CD2-CZ2 4.43Å; F374-W384 AromaticContact CD2-CZ3 3.49Å; F374-W384 HydrophobicContact CD2-CZ3 3.49Å; F374-W384 VanDerWaalsContact CD2-CZ3 3.49Å; F374-W384 HydrophobicContact CE2-CH2 4.46Å; F374-W384 HydrophobicContact CE2-CZ3 4.32Å; F374-W384 HydrophobicContact CG-CH2 4.49Å; F374-W384 HydrophobicContact CG-CZ3 4.2Å; F374-V387 HydrophobicContact CB-CG2 3.51Å; F374-V387 HydrophobicContact CD1-CG2 3.87Å; F374-V387 HydrophobicContact CD2-CG2 4.19Å; F374-V387 HydrophobicContact CG-CG2 3.6Å; F374-D401 HydrophobicContact CE1-CB 4.36Å; F374-L430 HydrophobicContact CE2-CD1 3.79Å; F374-L430 HydrophobicContact CZ-CD1 4.43Å
375	D	79.4	Confident	71.5	Confident	74 Å²	74	73.8 Å²	73.8	40%	0.396	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.7	178	177.8	9.4	0	0	0	110.3	C368 Q377	C368-D375 HydrophobicContact CB-CB 4.18Å; D375-Q377 PolarHBondContact O-N 3.03Å; D375-Q377 VanDerWaalsContact O-N 3.12Å; D375-Q377 WeakPolarHBondContact OD1-CA 3.18Å; D375-Q377 PolarHBondContact OD1-N 2.86Å
376	C	76.9	Confident	73.5	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.357	C	S	.	.			trans	-73.9	11.2	176.2	-64.6	0	0	0	0	113.6	N378 F380 C394 L400	C376-N378 WeakPolarHBondContact CB-OD1 3.22Å; C376-N378 PolarHBondContact O-N 2.82Å; C376-N378 PolarHBondContact O-OD1 3.42Å; C376-F380 HydrophobicContact CB-CB 4.19Å; C376-F380 VanDerWaalsContact CB-O 3.25Å; C376-F380 WeakPolarHBondContact CB-O 3.24Å; C376-F380 PolarHBondContact N-O 3.33Å; C376-C394 HydrophobicContact CB-CB 3.68Å; C376-C394 WeakPolarHBondContact CB-SG 3.37Å; C376-C394 WeakPolarHBondContact SG-CA 3.41Å; C376-C394 WeakPolarHBondContact SG-CB 3.03Å; C376-C394 CovalentContact SG-SG 2.04Å; C376-C394 PolarHBondContact SG-SG 3.36Å; C376-L400 WeakPolarHBondContact O-CD1 3.49Å
377	Q	71.3	Confident	75.3	Confident	155 Å²	155	64 Å²	64	72%	0.724	33%	0.326	S	S	*	.	S	Bend	trans	63.2	10.4	176.7	-54	178.5	3.1	0	0	114.8	D375 L400	D375-Q377 PolarHBondContact O-N 3.03Å; D375-Q377 VanDerWaalsContact O-N 3.12Å; D375-Q377 WeakPolarHBondContact OD1-CA 3.18Å; D375-Q377 PolarHBondContact OD1-N 2.86Å; Q377-L400 HydrophobicContact CB-CD1 4.35Å
378	N	67.4	Low	76.2	Confident	84 Å²	84	56.9 Å²	56.9	45%	0.449	29%	0.294	S	S	.	.	S	Bend	trans	-126.6	12.5	179.4	61.8	-2.2	0	0	0	111.6	C376 F380 P395	C376-N378 WeakPolarHBondContact CB-OD1 3.22Å; C376-N378 PolarHBondContact O-N 2.82Å; C376-N378 PolarHBondContact O-OD1 3.42Å; N378-F380 VanDerWaalsContact C-N 3.31Å; N378-F380 WeakPolarHBondContact OD1-CB 3.42Å; N378-F380 PolarHBondContact OD1-N 2.84Å; N378-P395 PolarHBondContact ND2-O 2.83Å
379	G	67.1	Low	76.7	Confident	45 Å²	45	59.2 Å²	59.2	46%	0.464	31%	0.306	S	S	.	.	S	Bend	trans	80.4	6.4	-175.5	0	0	0	0	0	114.5
380	F	77.2	Confident	77	Confident	101 Å²	101	63.5 Å²	63.5	44%	0.443	32%	0.322	S	S	.	.			trans	-95.7	132.7	172.3	-161.9	-98.1	0	0	0	110.4	C376 N378 I382 P395	C376-F380 HydrophobicContact CB-CB 4.19Å; C376-F380 VanDerWaalsContact CB-O 3.25Å; C376-F380 WeakPolarHBondContact CB-O 3.24Å; C376-F380 PolarHBondContact N-O 3.33Å; N378-F380 VanDerWaalsContact C-N 3.31Å; N378-F380 WeakPolarHBondContact OD1-CB 3.42Å; N378-F380 PolarHBondContact OD1-N 2.84Å; F380-I382 HydrophobicContact CD1-CG2 3.82Å; F380-I382 HydrophobicContact CE1-CG2 3.66Å; F380-P395 HydrophobicContact CB-CG 3.9Å; F380-P395 HydrophobicContact CD1-CG 3.71Å; F380-P395 HydrophobicContact CD2-CG 3.93Å; F380-P395 HydrophobicContact CE1-CG 4.16Å; F380-P395 HydrophobicContact CE2-CG 4.36Å; F380-P395 HydrophobicContact CG-CG 3.57Å; F380-P395 HydrophobicContact CZ-CG 4.46Å
381	C	80.7	Confident	77.8	Confident	40 Å²	40	65.4 Å²	65.4	27%	0.27	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.1	-176.5	-52.7	0	0	0	0	110.1	C368 Q373 F374	C368-C381 WeakPolarHBondContact CA-SG 3.41Å; C368-C381 HydrophobicContact CB-CB 3.7Å; C368-C381 WeakPolarHBondContact CB-SG 3.06Å; C368-C381 WeakPolarHBondContact SG-CA 3.07Å; C368-C381 WeakPolarHBondContact SG-CB 3.41Å; C368-C381 CovalentContact SG-SG 2.03Å; C368-C381 PolarHBondContact SG-SG 2.93Å; Q373-C381 HydrophobicContact CB-CB 4.19Å; Q373-C381 HydrophobicContact CG-CB 4.46Å; F374-C381 WeakPolarHBondContact O-CA 3.44Å
382	I	83.5	Confident	78.4	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.9	174.3	61.9	173.8	0	0	0	110.2	Q373 F374 F380 V387 D401	Q373-I382 CarbonylContact C-O 3.58Å; Q373-I382 VanDerWaalsContact CA-O 3.25Å; Q373-I382 WeakPolarHBondContact CA-O 3.07Å; F374-I382 HydrophobicContact CB-CG1 4Å; F374-I382 HydrophobicContact CD1-CD1 3.91Å; F374-I382 HydrophobicContact CD1-CG1 3.86Å; F374-I382 HydrophobicContact CG-CG1 4.42Å; F374-I382 PolarHBondContact N-O 3.45Å; F374-I382 PolarHBondContact O-N 3.15Å; F380-I382 HydrophobicContact CD1-CG2 3.82Å; F380-I382 HydrophobicContact CE1-CG2 3.66Å; I382-V387 HydrophobicContact CD1-CG2 4.08Å; I382-V387 HydrophobicContact CG1-CG2 4.39Å; I382-D401 HydrophobicContact CD1-CB 3.69Å
383	P	84.3	Confident	78.7	Confident	41 Å²	41	63.6 Å²	63.6	27%	0.266	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	143	173.4	-26.7	36.4	0	0	0	112.6	T372 R385 E386	T372-P383 WeakPolarHBondContact O-CA 3.2Å; P383-R385 HydrophobicContact CB-CG 3.61Å; P383-R385 PolarHBondContact O-N 2.8Å; P383-E386 WeakPolarHBondContact O-CB 3.49Å; P383-E386 PolarHBondContact O-N 2.74Å
384	W	79.7	Confident	78.6	Confident	36 Å²	36	60.8 Å²	60.8	14%	0.136	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-54.6	-25.8	178.9	-81.5	115.3	0	0	0	114.5	P370 T372 Q373 F374 E386 V387 T428	P370-W384 PolarHBondContact O-NE1 2.79Å; P370-W384 VanDerWaalsContact O-NE1 3.13Å; T372-W384 PolarHBondContact O-N 3.07Å; Q373-W384 PolarHBondContact O-NE1 3.49Å; Q373-W384 VanDerWaalsContact O-NE1 3.14Å; F374-W384 HydrophobicContact CB-CD2 4.22Å; F374-W384 HydrophobicContact CB-CE3 4.01Å; F374-W384 HydrophobicContact CB-CH2 4.37Å; F374-W384 HydrophobicContact CB-CZ3 4.11Å; F374-W384 HydrophobicContact CD2-CE3 4.22Å; F374-W384 AromaticContact CD2-CH2 3.62Å; F374-W384 HydrophobicContact CD2-CH2 3.62Å; F374-W384 HydrophobicContact CD2-CZ2 4.43Å; F374-W384 AromaticContact CD2-CZ3 3.49Å; F374-W384 HydrophobicContact CD2-CZ3 3.49Å; F374-W384 VanDerWaalsContact CD2-CZ3 3.49Å; F374-W384 HydrophobicContact CE2-CH2 4.46Å; F374-W384 HydrophobicContact CE2-CZ3 4.32Å; F374-W384 HydrophobicContact CG-CH2 4.49Å; F374-W384 HydrophobicContact CG-CZ3 4.2Å; W384-E386 VanDerWaalsContact C-N 3.25Å; W384-E386 PolarHBondContact O-N 2.84Å; W384-V387 HydrophobicContact CE3-CB 4.47Å; W384-V387 HydrophobicContact CE3-CG2 4Å; W384-V387 HydrophobicContact CZ3-CG2 4.48Å; W384-V387 WeakPolarHBondContact O-CB 3.44Å; W384-V387 PolarHBondContact O-N 3.07Å; W384-T428 HydrophobicContact CD2-CG2 4.01Å; W384-T428 HydrophobicContact CE3-CG2 4.05Å; W384-T428 HydrophobicContact CH2-CG2 4Å; W384-T428 HydrophobicContact CZ2-CG2 3.98Å; W384-T428 HydrophobicContact CZ3-CG2 4.04Å
385	R	79.6	Confident	78.1	Confident	193 Å²	193	62.9 Å²	62.9	73%	0.728	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.5	175.9	56.1	166	-161.6	169.9	6.1	114	P383 V387	P383-R385 HydrophobicContact CB-CG 3.61Å; P383-R385 PolarHBondContact O-N 2.8Å; R385-V387 VanDerWaalsContact C-N 3.32Å
386	E	82	Confident	77.5	Confident	48 Å²	48	62.4 Å²	62.4	22%	0.224	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-92.4	5.6	179.9	-72.6	161.7	-138.5	0	0	111.4	P383 W384	P383-E386 WeakPolarHBondContact O-CB 3.49Å; P383-E386 PolarHBondContact O-N 2.74Å; W384-E386 VanDerWaalsContact C-N 3.25Å; W384-E386 PolarHBondContact O-N 2.84Å
387	V	81.1	Confident	76.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.388	C	S	.	.	S	Bend	trans	-90.7	134.2	174.4	-177.8	0	0	0	0	109.6	F374 I382 W384 R385 D389 D401 K411 P429 L430	F374-V387 HydrophobicContact CB-CG2 3.51Å; F374-V387 HydrophobicContact CD1-CG2 3.87Å; F374-V387 HydrophobicContact CD2-CG2 4.19Å; F374-V387 HydrophobicContact CG-CG2 3.6Å; I382-V387 HydrophobicContact CD1-CG2 4.08Å; I382-V387 HydrophobicContact CG1-CG2 4.39Å; W384-V387 HydrophobicContact CE3-CB 4.47Å; W384-V387 HydrophobicContact CE3-CG2 4Å; W384-V387 HydrophobicContact CZ3-CG2 4.48Å; W384-V387 WeakPolarHBondContact O-CB 3.44Å; W384-V387 PolarHBondContact O-N 3.07Å; R385-V387 VanDerWaalsContact C-N 3.32Å; V387-D389 PolarHBondContact O-N 2.87Å; V387-D401 WeakPolarHBondContact CG1-O 3.5Å; V387-K411 VanDerWaalsContact O-CE 3.22Å; V387-K411 WeakPolarHBondContact O-CE 3.18Å; V387-K411 PolarHBondContact O-NZ 2.8Å; V387-P429 HydrophobicContact CB-CG 4.46Å; V387-L430 HydrophobicContact CG1-CD1 4.33Å; V387-L430 HydrophobicContact CG1-CG 4.42Å
388	C	79.5	Confident	76.6	Confident	8 Å²	8	67.1 Å²	67.1	5%	0.054	38%	0.383	C	S	.	.	S	Bend	trans	60.6	20	-179.6	-64.6	0	0	0	0	114.1	K390 D401 E402 C408 K411 P429	C388-K390 PolarHBondContact O-N 3.46Å; C388-D401 PolarHBondContact N-O 3.33Å; C388-E402 VanDerWaalsContact CA-CD 3.47Å; C388-E402 WeakPolarHBondContact CA-OE1 3.43Å; C388-E402 WeakPolarHBondContact CA-OE2 3.11Å; C388-E402 PolarHBondContact N-OE1 2.87Å; C388-C408 HydrophobicContact CB-CB 3.5Å; C388-C408 WeakPolarHBondContact CB-SG 2.99Å; C388-C408 WeakPolarHBondContact SG-CA 3.48Å; C388-C408 WeakPolarHBondContact SG-CB 3.37Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 3.1Å; C388-K411 HydrophobicContact CB-CD 4.26Å; C388-K411 HydrophobicContact CB-CG 4.39Å; C388-K411 WeakPolarHBondContact O-CE 3.44Å; C388-K411 PolarHBondContact O-NZ 2.81Å; C388-P429 HydrophobicContact CB-CB 4.18Å
389	D	79.9	Confident	76.8	Confident	57 Å²	57	64.8 Å²	64.8	31%	0.305	37%	0.373	S	S	.	.	S	Bend	trans	-82.2	4.1	-178.3	75.8	-6.4	0	0	0	113.7	V387 V391 E402	V387-D389 PolarHBondContact O-N 2.87Å; D389-V391 WeakPolarHBondContact OD1-CA 3.24Å; D389-V391 VanDerWaalsContact OD1-CB 3.29Å; D389-V391 WeakPolarHBondContact OD1-CB 3.32Å; D389-V391 PolarHBondContact OD1-N 2.79Å; D389-E402 PolarHBondContact N-OE1 2.81Å
390	K	76.3	Confident	77.1	Confident	153 Å²	153	65.3 Å²	65.3	67%	0.665	36%	0.364	S	S	*	.	S	Bend	trans	72.1	13.4	-176.2	-49.8	176.3	-177.4	177.1	0	113.3	C388 E402 Y405	C388-K390 PolarHBondContact O-N 3.46Å; K390-E402 WeakPolarHBondContact CA-OE2 3.29Å; K390-E402 PolarHBondContact N-OE1 2.64Å; K390-E402 PolarHBondContact N-OE2 2.85Å; K390-E402 VanDerWaalsContact N-OE2 3.13Å; K390-Y405 WeakPolarHBondContact CE-OH 3.21Å
391	V	82	Confident	77.1	Confident	83 Å²	83	60.6 Å²	60.6	50%	0.503	34%	0.344	S	S	.	.	S	Bend	trans	-120.3	111	178	-176.3	0	0	0	0	108.8	D389 S393 D401	D389-V391 WeakPolarHBondContact OD1-CA 3.24Å; D389-V391 VanDerWaalsContact OD1-CB 3.29Å; D389-V391 WeakPolarHBondContact OD1-CB 3.32Å; D389-V391 PolarHBondContact OD1-N 2.79Å; V391-S393 PolarHBondContact O-N 2.91Å; V391-S393 PolarHBondContact O-OG 2.81Å; V391-D401 VanDerWaalsContact O-OD2 3.07Å
392	P	79.7	Confident	76.8	Confident	95 Å²	95	59.3 Å²	59.3	62%	0.617	33%	0.334	S	S	*	.			trans	-60.2	101.6	176.9	-23.1	33.8	0	0	0	111.8	P399 D401	P392-P399 HydrophobicContact CB-CB 4.06Å; P392-P399 HydrophobicContact CG-CB 4.25Å; P392-D401 WeakPolarHBondContact CA-OD2 3.38Å
393	S	82.8	Confident	76.1	Confident	30 Å²	30	64.5 Å²	64.5	21%	0.21	36%	0.358	C	S	.	.			trans	-103.2	-21.5	-176	-61	0	0	0	0	111.8	V391 P395 D401	V391-S393 PolarHBondContact O-N 2.91Å; V391-S393 PolarHBondContact O-OG 2.81Å; S393-P395 WeakPolarHBondContact O-CD 3.3Å; S393-D401 PolarHBondContact N-OD2 3.31Å
394	C	79.6	Confident	75.2	Confident	8 Å²	8	66 Å²	66	5%	0.054	37%	0.367	C	S	.	.	S	Bend	trans	-78.5	123.9	171.9	-76.1	0	0	0	0	111.7	C376 G396 L400 D401	C376-C394 HydrophobicContact CB-CB 3.68Å; C376-C394 WeakPolarHBondContact CB-SG 3.37Å; C376-C394 WeakPolarHBondContact SG-CA 3.41Å; C376-C394 WeakPolarHBondContact SG-CB 3.03Å; C376-C394 CovalentContact SG-SG 2.04Å; C376-C394 PolarHBondContact SG-SG 3.36Å; C394-G396 PolarHBondContact O-N 2.87Å; C394-L400 HydrophobicContact CB-CB 4.46Å; C394-D401 HydrophobicContact CB-CB 4.45Å; C394-D401 WeakPolarHBondContact CB-OD1 3.49Å; C394-D401 PolarHBondContact N-OD1 2.8Å
395	P	70.5	Confident	74.1	Confident	67 Å²	67	70.7 Å²	70.7	44%	0.435	39%	0.386	S	S	.	.			trans	-72.6	112	178.1	24.4	-28.6	0	0	0	111.1	N378 F380 S393	N378-P395 PolarHBondContact ND2-O 2.83Å; F380-P395 HydrophobicContact CB-CG 3.9Å; F380-P395 HydrophobicContact CD1-CG 3.71Å; F380-P395 HydrophobicContact CD2-CG 3.93Å; F380-P395 HydrophobicContact CE1-CG 4.16Å; F380-P395 HydrophobicContact CE2-CG 4.36Å; F380-P395 HydrophobicContact CG-CG 3.57Å; F380-P395 HydrophobicContact CZ-CG 4.46Å; S393-P395 WeakPolarHBondContact O-CD 3.3Å
396	G	67.2	Low	73.2	Confident	64 Å²	64	66.7 Å²	66.7	66%	0.66	38%	0.383	S	S	*	.	S	Bend	trans	169.3	175.2	178.4	0	0	0	0	0	113.6	C394 K398	C394-G396 PolarHBondContact O-N 2.87Å; G396-K398 PolarHBondContact O-N 2.97Å
397	A	61.2	Low	72.2	Confident	112 Å²	112	68.2 Å²	68.2	93%	0.926	39%	0.393	S	S	*	.	S	Bend	trans	-73	-12.7	179.3	0	0	0	0	0	113.8
398	K	67.8	Low	71.6	Confident	141 Å²	141	69 Å²	69	61%	0.613	40%	0.398	S	S	*	.	S	Bend	trans	-123.9	131.4	176.6	-67.6	-176.1	178.4	-178.5	0	109.2	G396 L400	G396-K398 PolarHBondContact O-N 2.97Å; K398-L400 HydrophobicContact CB-CG 4.47Å; K398-L400 PolarHBondContact O-N 2.78Å
399	P	70.5	Confident	70.9	Confident	36 Å²	36	72.4 Å²	72.4	23%	0.234	42%	0.422	C	S	.	.			trans	-76.3	76	175.6	33.8	-33.9	0	0	0	108.8	P392 D401 E402 E403	P392-P399 HydrophobicContact CB-CB 4.06Å; P392-P399 HydrophobicContact CG-CB 4.25Å; P399-D401 VanDerWaalsContact C-OD1 3.3Å; P399-D401 PolarHBondContact O-N 2.9Å; P399-D401 VanDerWaalsContact O-N 3.14Å; P399-E402 HydrophobicContact CB-CB 4.14Å; P399-E402 HydrophobicContact CB-CG 4.46Å; P399-E402 PolarHBondContact O-N 2.8Å; P399-E403 HydrophobicContact CG-CG 4.01Å; P399-E403 PolarHBondContact O-N 3.47Å
400	L	74.8	Confident	70.3	Confident	56 Å²	56	73.3 Å²	73.3	29%	0.293	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.1	-175.4	-73.6	168.3	0	0	0	113.1	C376 Q377 C394 K398 E402	C376-L400 WeakPolarHBondContact O-CD1 3.49Å; Q377-L400 HydrophobicContact CB-CD1 4.35Å; C394-L400 HydrophobicContact CB-CB 4.46Å; K398-L400 HydrophobicContact CB-CG 4.47Å; K398-L400 PolarHBondContact O-N 2.78Å; L400-E402 VanDerWaalsContact C-N 3.33Å
401	D	76	Confident	69.6	Low	2 Å²	2	69.8 Å²	69.8	1%	0.011	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.6	173.9	54.3	-49.7	0	0	0	114	F374 I382 V387 C388 V391 P392 S393 C394 P399	F374-D401 HydrophobicContact CE1-CB 4.36Å; I382-D401 HydrophobicContact CD1-CB 3.69Å; V387-D401 WeakPolarHBondContact CG1-O 3.5Å; C388-D401 PolarHBondContact N-O 3.33Å; V391-D401 VanDerWaalsContact O-OD2 3.07Å; P392-D401 WeakPolarHBondContact CA-OD2 3.38Å; S393-D401 PolarHBondContact N-OD2 3.31Å; C394-D401 HydrophobicContact CB-CB 4.45Å; C394-D401 WeakPolarHBondContact CB-OD1 3.49Å; C394-D401 PolarHBondContact N-OD1 2.8Å; P399-D401 VanDerWaalsContact C-OD1 3.3Å; P399-D401 PolarHBondContact O-N 2.9Å; P399-D401 VanDerWaalsContact O-N 3.14Å
402	E	76	Confident	68.8	Low	13 Å²	13	73.8 Å²	73.8	6%	0.061	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-14.1	-177.5	-62	-63.5	146.2	0	0	113.8	C388 D389 K390 P399 L400 P404 Y405	C388-E402 VanDerWaalsContact CA-CD 3.47Å; C388-E402 WeakPolarHBondContact CA-OE1 3.43Å; C388-E402 WeakPolarHBondContact CA-OE2 3.11Å; C388-E402 PolarHBondContact N-OE1 2.87Å; D389-E402 PolarHBondContact N-OE1 2.81Å; K390-E402 WeakPolarHBondContact CA-OE2 3.29Å; K390-E402 PolarHBondContact N-OE1 2.64Å; K390-E402 PolarHBondContact N-OE2 2.85Å; K390-E402 VanDerWaalsContact N-OE2 3.13Å; P399-E402 HydrophobicContact CB-CB 4.14Å; P399-E402 HydrophobicContact CB-CG 4.46Å; P399-E402 PolarHBondContact O-N 2.8Å; L400-E402 VanDerWaalsContact C-N 3.33Å; E402-P404 CarbonylContact O-C 3.59Å; E402-Y405 PolarHBondContact O-N 2.85Å
403	E	68.4	Low	68.5	Low	112 Å²	112	72.2 Å²	72.2	52%	0.523	42%	0.419	S	S	.	.			trans	-111	137.9	-175	-83.2	-174.1	-178.6	0	0	113.9	P399	P399-E403 HydrophobicContact CG-CG 4.01Å; P399-E403 PolarHBondContact O-N 3.47Å
404	P	63.8	Low	68.2	Low	71 Å²	71	75.3 Å²	75.3	46%	0.461	43%	0.432	S	S	.	.	S	Bend	cis	-77.3	137.3	-5.5	7.6	6.6	0	0	0	110.6	E402 V406 N407	E402-P404 CarbonylContact O-C 3.59Å; P404-V406 PolarHBondContact O-N 2.82Å; P404-N407 PolarHBondContact O-N 2.99Å
405	Y	57	Low	68.2	Low	135 Å²	135	76.6 Å²	76.6	53%	0.529	44%	0.437	S	S	.	.	H	α-helix	trans	-52.6	-23	177.8	-151.4	-90.5	0	0	0	113.5	K390 E402 N407 C408 S409	K390-Y405 WeakPolarHBondContact CE-OH 3.21Å; E402-Y405 PolarHBondContact O-N 2.85Å; Y405-N407 VanDerWaalsContact C-N 3.31Å; Y405-N407 PolarHBondContact O-N 2.91Å; Y405-C408 PolarHBondContact O-N 3.1Å; Y405-S409 PolarHBondContact O-N 2.76Å; Y405-S409 PolarHBondContact O-OG 3.42Å
406	V	60.5	Low	68.8	Low	110 Å²	110	75 Å²	75	67%	0.667	43%	0.428	S	S	*	.	H	α-helix	trans	-59.5	-38.1	173.9	-172.2	0	0	0	0	112.1	P404 S409	P404-V406 PolarHBondContact O-N 2.82Å; V406-S409 WeakPolarHBondContact O-CB 3.28Å
407	N	62.4	Low	69.4	Low	80 Å²	80	76 Å²	76	43%	0.428	43%	0.429	S	S	.	.	H	α-helix	trans	-76.2	-33.6	176.9	-72.8	-7.2	0	0	0	111.5	P404 Y405 S409 L430	P404-N407 PolarHBondContact O-N 2.99Å; Y405-N407 VanDerWaalsContact C-N 3.31Å; Y405-N407 PolarHBondContact O-N 2.91Å; N407-S409 PolarHBondContact O-N 2.85Å; N407-L430 HydrophobicContact CB-CD2 3.68Å
408	C	67.7	Low	70.3	Confident	15 Å²	15	76.1 Å²	76.1	10%	0.101	42%	0.418	C	S	.	.	H	α-helix	trans	-70.1	-11	175	-64.9	0	0	0	0	114.2	C388 Y405 N410	C388-C408 HydrophobicContact CB-CB 3.5Å; C388-C408 WeakPolarHBondContact CB-SG 2.99Å; C388-C408 WeakPolarHBondContact SG-CA 3.48Å; C388-C408 WeakPolarHBondContact SG-CB 3.37Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 3.1Å; Y405-C408 PolarHBondContact O-N 3.1Å; C408-N410 PolarHBondContact O-N 2.93Å
409	S	65.1	Low	70.8	Confident	80 Å²	80	70.9 Å²	70.9	56%	0.559	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.2	-178.4	-59.8	0	0	0	0	113.8	Y405 V406 N407	Y405-S409 PolarHBondContact O-N 2.76Å; Y405-S409 PolarHBondContact O-OG 3.42Å; V406-S409 WeakPolarHBondContact O-CB 3.28Å; N407-S409 PolarHBondContact O-N 2.85Å
410	N	66.4	Low	71.4	Confident	77 Å²	77	80.1 Å²	80.1	41%	0.412	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	26.3	-175.9	-69.8	-29.7	0	0	0	113.4	C408 D412 V413 F415	C408-N410 PolarHBondContact O-N 2.93Å; N410-D412 PolarHBondContact O-N 3.15Å; N410-V413 HydrophobicContact CB-CB 4.31Å; N410-V413 HydrophobicContact CB-CG2 3.88Å; N410-V413 PolarHBondContact O-N 3.45Å; N410-F415 HydrophobicContact CB-CE1 4.43Å; N410-F415 HydrophobicContact CB-CE2 4.27Å; N410-F415 HydrophobicContact CB-CZ 3.55Å
411	K	62.3	Low	71.9	Confident	79 Å²	79	78.7 Å²	78.7	34%	0.343	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-31.2	-178.9	-93.8	-161.2	168.8	-168.1	0	114.8	V387 C388 P429	V387-K411 VanDerWaalsContact O-CE 3.22Å; V387-K411 WeakPolarHBondContact O-CE 3.18Å; V387-K411 PolarHBondContact O-NZ 2.8Å; C388-K411 HydrophobicContact CB-CD 4.26Å; C388-K411 HydrophobicContact CB-CG 4.39Å; C388-K411 WeakPolarHBondContact O-CE 3.44Å; C388-K411 PolarHBondContact O-NZ 2.81Å; K411-P429 HydrophobicContact CG-CB 4.11Å
412	D	65.7	Low	72.5	Confident	167 Å²	167	83.4 Å²	83.4	89%	0.893	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	4.1	-176.3	-59.5	-40.4	0	0	0	113.8	N410	N410-D412 PolarHBondContact O-N 3.15Å
413	V	73.2	Confident	73.1	Confident	62 Å²	62	85.8 Å²	85.8	38%	0.376	46%	0.456	S	S	.	.			trans	-85.4	124.7	177.9	-177.7	0	0	0	0	109.5	N410 F415 N427	N410-V413 HydrophobicContact CB-CB 4.31Å; N410-V413 HydrophobicContact CB-CG2 3.88Å; N410-V413 PolarHBondContact O-N 3.45Å; V413-F415 HydrophobicContact CB-CD2 4.44Å; V413-F415 HydrophobicContact CB-CE1 4.32Å; V413-F415 HydrophobicContact CB-CE2 4.1Å; V413-F415 HydrophobicContact CB-CZ 4.06Å; V413-F415 HydrophobicContact CG1-CD1 4.1Å; V413-F415 HydrophobicContact CG1-CE1 4.09Å; V413-F415 HydrophobicContact CG1-CG 4.35Å; V413-F415 HydrophobicContact CG1-CZ 4.34Å; V413-F415 VanDerWaalsContact O-CD2 3.26Å; V413-F415 WeakPolarHBondContact O-CD2 3.29Å; V413-F415 PolarHBondContact O-N 2.98Å; V413-F415 VanDerWaalsContact O-N 3.09Å; V413-N427 PolarHBondContact O-ND2 3.08Å; V413-N427 PolarHBondContact O-OD1 2.63Å
414	N	77.4	Confident	74	Confident	94 Å²	94	83 Å²	83	50%	0.503	45%	0.447	S	S	.	.			trans	-79.6	88.6	168.7	-174.4	-7.9	0	0	0	109.6	C416 A417	N414-C416 PolarHBondContact O-N 3.04Å; N414-C416 WeakPolarHBondContact OD1-CB 3.16Å; N414-C416 PolarHBondContact OD1-N 3.04Å; N414-C416 VanDerWaalsContact OD1-N 3.1Å; N414-A417 WeakPolarHBondContact O-CB 3.43Å; N414-A417 PolarHBondContact O-N 2.98Å; N414-A417 VanDerWaalsContact O-N 3.14Å; N414-A417 PolarHBondContact OD1-N 3.16Å
415	F	79	Confident	75.1	Confident	36 Å²	36	81.7 Å²	81.7	16%	0.158	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-65.2	-23.1	178.2	-62.5	-80.9	0	0	0	112.9	N410 V413 A417 T418 T419 N427 A432	N410-F415 HydrophobicContact CB-CE1 4.43Å; N410-F415 HydrophobicContact CB-CE2 4.27Å; N410-F415 HydrophobicContact CB-CZ 3.55Å; V413-F415 HydrophobicContact CB-CD2 4.44Å; V413-F415 HydrophobicContact CB-CE1 4.32Å; V413-F415 HydrophobicContact CB-CE2 4.1Å; V413-F415 HydrophobicContact CB-CZ 4.06Å; V413-F415 HydrophobicContact CG1-CD1 4.1Å; V413-F415 HydrophobicContact CG1-CE1 4.09Å; V413-F415 HydrophobicContact CG1-CG 4.35Å; V413-F415 HydrophobicContact CG1-CZ 4.34Å; V413-F415 VanDerWaalsContact O-CD2 3.26Å; V413-F415 WeakPolarHBondContact O-CD2 3.29Å; V413-F415 PolarHBondContact O-N 2.98Å; V413-F415 VanDerWaalsContact O-N 3.09Å; F415-A417 PolarHBondContact O-N 3.13Å; F415-T418 PolarHBondContact O-N 3.23Å; F415-T418 PolarHBondContact O-OG1 2.69Å; F415-T418 VanDerWaalsContact O-OG1 3.08Å; F415-T419 VanDerWaalsContact O-CB 3.27Å; F415-T419 WeakPolarHBondContact O-CB 3.18Å; F415-T419 PolarHBondContact O-N 2.85Å; F415-T419 PolarHBondContact O-OG1 3.24Å; F415-N427 WeakPolarHBondContact CB-OD1 3.44Å; F415-N427 WeakPolarHBondContact CD2-OD1 3.32Å; F415-N427 PolarHBondContact N-OD1 3.18Å; F415-A432 HydrophobicContact CB-CB 3.51Å
416	C	82.4	Confident	76.4	Confident	34 Å²	34	77 Å²	77	23%	0.23	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-69.9	-16	175.4	-69	0	0	0	0	113	N414 C425	N414-C416 PolarHBondContact O-N 3.04Å; N414-C416 WeakPolarHBondContact OD1-CB 3.16Å; N414-C416 PolarHBondContact OD1-N 3.04Å; N414-C416 VanDerWaalsContact OD1-N 3.1Å; C416-C425 WeakPolarHBondContact CA-SG 3.49Å; C416-C425 HydrophobicContact CB-CB 3.83Å; C416-C425 WeakPolarHBondContact CB-SG 3.45Å; C416-C425 WeakPolarHBondContact SG-CB 3.2Å; C416-C425 CovalentContact SG-SG 2.04Å; C416-C425 PolarHBondContact SG-SG 2.94Å
417	A	80.5	Confident	77.3	Confident	83 Å²	83	75.1 Å²	75.1	69%	0.686	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-74.4	-29.2	173.2	0	0	0	0	0	112.7	N414 F415	N414-A417 WeakPolarHBondContact O-CB 3.43Å; N414-A417 PolarHBondContact O-N 2.98Å; N414-A417 VanDerWaalsContact O-N 3.14Å; N414-A417 PolarHBondContact OD1-N 3.16Å; F415-A417 PolarHBondContact O-N 3.13Å
418	T	79.5	Confident	77.9	Confident	115 Å²	115	71.8 Å²	71.8	71%	0.706	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-26.7	-179.7	54.9	0	0	0	0	112.5	F415	F415-T418 PolarHBondContact O-N 3.23Å; F415-T418 PolarHBondContact O-OG1 2.69Å; F415-T418 VanDerWaalsContact O-OG1 3.08Å
419	T	78.2	Confident	78.1	Confident	31 Å²	31	72.1 Å²	72.1	19%	0.19	40%	0.395	C	S	.	.			trans	-95.8	110.4	-177	-51.4	0	0	0	0	110.6	F415 C421 A432 K448	F415-T419 VanDerWaalsContact O-CB 3.27Å; F415-T419 WeakPolarHBondContact O-CB 3.18Å; F415-T419 PolarHBondContact O-N 2.85Å; F415-T419 PolarHBondContact O-OG1 3.24Å; T419-C421 PolarHBondContact O-N 3.41Å; T419-A432 HydrophobicContact CG2-CB 3.96Å; T419-A432 WeakPolarHBondContact OG1-CB 2.9Å; T419-K448 HydrophobicContact CG2-CD 4.48Å
420	R	83.5	Confident	78.5	Confident	231 Å²	231	71.4 Å²	71.4	87%	0.872	38%	0.384	S	S	*	.			trans	-82.2	88.5	173.8	-69.9	-171.6	-75.5	-111.9	1.6	110.9
421	C	85.8	Confident	79	Confident	25 Å²	25	68.4 Å²	68.4	17%	0.169	37%	0.372	C	S	.	.			trans	-73.2	148.7	166	-56.1	0	0	0	0	110.3	T419 C425 C434	T419-C421 PolarHBondContact O-N 3.41Å; C421-C425 HydrophobicContact CB-CB 4.1Å; C421-C425 VanDerWaalsContact SG-CB 3.53Å; C421-C434 VanDerWaalsContact CA-SG 3.55Å; C421-C434 HydrophobicContact CB-CB 3.63Å; C421-C434 WeakPolarHBondContact CB-SG 3.22Å; C421-C434 WeakPolarHBondContact SG-CA 3.31Å; C421-C434 WeakPolarHBondContact SG-CB 3.38Å; C421-C434 CovalentContact SG-SG 2.02Å; C421-C434 PolarHBondContact SG-SG 2.84Å
422	Q	88.3	Confident	79.8	Confident	102 Å²	102	66 Å²	66	48%	0.477	37%	0.366	S	S	.	.	S	Bend	trans	-67.6	-38.8	179.4	-176.7	-176.9	-28.1	0	0	112.9	K448 N449 C450	Q422-K448 WeakPolarHBondContact CB-O 3.2Å; Q422-K448 PolarHBondContact N-O 2.88Å; Q422-N449 VanDerWaalsContact OE1-CA 3.29Å; Q422-C450 PolarHBondContact NE2-O 2.05Å; Q422-C450 PolarHBondContact OE1-O 2.65Å
423	Q	87.7	Confident	80.6	Confident	63 Å²	63	62.9 Å²	62.9	29%	0.294	34%	0.342	S	S	.	.	S	Bend	trans	-123.8	-83.5	-176.5	-67.5	179.3	-20.8	0	0	111.5	C436 T437 C450	Q423-C436 VanDerWaalsContact OE1-CB 3.25Å; Q423-T437 PolarHBondContact NE2-OG1 3.12Å; Q423-T437 PolarHBondContact OE1-OG1 3.22Å; Q423-C450 HydrophobicContact CG-CB 4.21Å; Q423-C450 PolarHBondContact OE1-SG 3.17Å
424	V	87.6	Confident	81.2	Confident	54 Å²	54	60.7 Å²	60.7	33%	0.327	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.2	-172.7	-176.8	0	0	0	0	110.4	C434 S435 T437	V424-C434 CarbonylContact O-C 3.51Å; V424-C434 WeakPolarHBondContact O-CA 2.96Å; V424-S435 WeakPolarHBondContact CB-O 3.4Å; V424-S435 WeakPolarHBondContact CB-OG 3.49Å; V424-S435 WeakPolarHBondContact CG1-OG 3.38Å; V424-S435 PolarHBondContact N-O 3.29Å; V424-S435 PolarHBondContact O-N 2.82Å; V424-S435 VanDerWaalsContact O-O 3.11Å; V424-T437 HydrophobicContact CG2-CG2 4.17Å
425	C	87.7	Confident	81.5	Confident	42 Å²	42	57.1 Å²	57.1	28%	0.284	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.6	172.5	-172.7	0	0	0	0	110.2	C416 C421	C416-C425 WeakPolarHBondContact CA-SG 3.49Å; C416-C425 HydrophobicContact CB-CB 3.83Å; C416-C425 WeakPolarHBondContact CB-SG 3.45Å; C416-C425 WeakPolarHBondContact SG-CB 3.2Å; C416-C425 CovalentContact SG-SG 2.04Å; C416-C425 PolarHBondContact SG-SG 2.94Å; C421-C425 HydrophobicContact CB-CB 4.1Å; C421-C425 VanDerWaalsContact SG-CB 3.53Å
426	T	83	Confident	82	Confident	38 Å²	38	56.7 Å²	56.7	23%	0.233	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.1	173.1	-52.1	0	0	0	0	108.7	T428 R433	T426-T428 HydrophobicContact CG2-CG2 4.36Å; T426-T428 PolarHBondContact O-N 3.4Å; T426-R433 PolarHBondContact N-O 2.9Å; T426-R433 PolarHBondContact O-N 2.69Å
427	N	80.7	Confident	82.3	Confident	70 Å²	70	58.2 Å²	58.2	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.7	175.5	-163.5	54.9	0	0	0	108.9	V413 F415	V413-N427 PolarHBondContact O-ND2 3.08Å; V413-N427 PolarHBondContact O-OD1 2.63Å; F415-N427 WeakPolarHBondContact CB-OD1 3.44Å; F415-N427 WeakPolarHBondContact CD2-OD1 3.32Å; F415-N427 PolarHBondContact N-OD1 3.18Å
428	T	74.2	Confident	82.6	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.055	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	155.5	176.5	74.5	0	0	0	0	110	W384 T426 L430 G431 R433	W384-T428 HydrophobicContact CD2-CG2 4.01Å; W384-T428 HydrophobicContact CE3-CG2 4.05Å; W384-T428 HydrophobicContact CH2-CG2 4Å; W384-T428 HydrophobicContact CZ2-CG2 3.98Å; W384-T428 HydrophobicContact CZ3-CG2 4.04Å; T426-T428 HydrophobicContact CG2-CG2 4.36Å; T426-T428 PolarHBondContact O-N 3.4Å; T428-L430 PolarHBondContact O-N 3.28Å; T428-G431 WeakPolarHBondContact CB-O 3.24Å; T428-G431 PolarHBondContact N-O 3.21Å; T428-G431 PolarHBondContact O-N 3.27Å; T428-G431 VanDerWaalsContact O-O 3.14Å; T428-G431 PolarHBondContact OG1-N 2.97Å; T428-G431 PolarHBondContact OG1-O 3.48Å; T428-R433 HydrophobicContact CG2-CB 4.11Å
429	P	72.9	Confident	82.8	Confident	23 Å²	23	54.2 Å²	54.2	15%	0.149	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.4	175.6	-29.8	37.4	0	0	0	114.8	V387 C388 K411	V387-P429 HydrophobicContact CB-CG 4.46Å; C388-P429 HydrophobicContact CB-CB 4.18Å; K411-P429 HydrophobicContact CG-CB 4.11Å
430	L	72.3	Confident	83.4	Confident	65 Å²	65	55.3 Å²	55.3	34%	0.34	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-1	-178.4	-61.4	174.5	0	0	0	113.7	F374 V387 N407 T428	F374-L430 HydrophobicContact CE2-CD1 3.79Å; F374-L430 HydrophobicContact CZ-CD1 4.43Å; V387-L430 HydrophobicContact CG1-CD1 4.33Å; V387-L430 HydrophobicContact CG1-CG 4.42Å; N407-L430 HydrophobicContact CB-CD2 3.68Å; T428-L430 PolarHBondContact O-N 3.28Å
431	G	77.6	Confident	83.7	Confident	14 Å²	14	46.8 Å²	46.8	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.1	177.5	-177.7	0	0	0	0	0	114.2	T428 R433	T428-G431 WeakPolarHBondContact CB-O 3.24Å; T428-G431 PolarHBondContact N-O 3.21Å; T428-G431 PolarHBondContact O-N 3.27Å; T428-G431 VanDerWaalsContact O-O 3.14Å; T428-G431 PolarHBondContact OG1-N 2.97Å; T428-G431 PolarHBondContact OG1-O 3.48Å; G431-R433 PolarHBondContact O-N 3.35Å
432	A	78.9	Confident	83.7	Confident	28 Å²	28	48.5 Å²	48.5	23%	0.231	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.8	171.3	0	0	0	0	0	110.1	F415 T419	F415-A432 HydrophobicContact CB-CB 3.51Å; T419-A432 HydrophobicContact CG2-CB 3.96Å; T419-A432 WeakPolarHBondContact OG1-CB 2.9Å
433	R	81.5	Confident	83.6	Confident	101 Å²	101	44.4 Å²	44.4	38%	0.381	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.6	171.4	-173.3	174.3	-173.2	164.7	7.4	109.2	P370 T426 T428 G431	P370-R433 VanDerWaalsContact CB-NH2 3.29Å; P370-R433 PolarHBondContact O-NH1 2.54Å; T426-R433 PolarHBondContact N-O 2.9Å; T426-R433 PolarHBondContact O-N 2.69Å; T428-R433 HydrophobicContact CG2-CB 4.11Å; G431-R433 PolarHBondContact O-N 3.35Å
434	C	85.7	Confident	83.4	Confident	17 Å²	17	46.6 Å²	46.6	12%	0.115	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.7	171.7	-57.1	0	0	0	0	109.9	C421 V424 P447	C421-C434 VanDerWaalsContact CA-SG 3.55Å; C421-C434 HydrophobicContact CB-CB 3.63Å; C421-C434 WeakPolarHBondContact CB-SG 3.22Å; C421-C434 WeakPolarHBondContact SG-CA 3.31Å; C421-C434 WeakPolarHBondContact SG-CB 3.38Å; C421-C434 CovalentContact SG-SG 2.02Å; C421-C434 PolarHBondContact SG-SG 2.84Å; V424-C434 CarbonylContact O-C 3.51Å; V424-C434 WeakPolarHBondContact O-CA 2.96Å; C434-P447 VanDerWaalsContact CB-O 3.22Å; C434-P447 WeakPolarHBondContact CB-O 3.16Å
435	S	85.3	Confident	83.3	Confident	18 Å²	18	53.2 Å²	53.2	13%	0.126	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	169.5	173	55.9	0	0	0	0	109.4	L371 V424	L371-S435 WeakPolarHBondContact CD2-OG 3.11Å; V424-S435 WeakPolarHBondContact CB-O 3.4Å; V424-S435 WeakPolarHBondContact CB-OG 3.49Å; V424-S435 WeakPolarHBondContact CG1-OG 3.38Å; V424-S435 PolarHBondContact N-O 3.29Å; V424-S435 PolarHBondContact O-N 2.82Å; V424-S435 VanDerWaalsContact O-O 3.11Å
436	C	88.5	Confident	83.2	Confident	27 Å²	27	53.9 Å²	53.9	18%	0.182	32%	0.316	C	S	.	.			trans	-118.6	154.2	-173.6	-56.3	0	0	0	0	110.4	Q423 Y440 C450	Q423-C436 VanDerWaalsContact OE1-CB 3.25Å; C436-Y440 WeakPolarHBondContact CB-O 3.37Å; C436-C450 VanDerWaalsContact CA-SG 3.51Å; C436-C450 HydrophobicContact CB-CB 3.78Å; C436-C450 WeakPolarHBondContact CB-SG 3.24Å; C436-C450 WeakPolarHBondContact SG-CA 3.44Å; C436-C450 WeakPolarHBondContact SG-CB 3.02Å; C436-C450 CovalentContact SG-SG 2.03Å; C436-C450 PolarHBondContact SG-SG 3.07Å
437	T	89.3	Confident	83.2	Confident	66 Å²	66	56.5 Å²	56.5	41%	0.405	33%	0.333	S	S	.	.			trans	-67.6	159.4	171.4	51.8	0	0	0	0	110.1	Q423 V424 G439 Y440	Q423-T437 PolarHBondContact NE2-OG1 3.12Å; Q423-T437 PolarHBondContact OE1-OG1 3.22Å; V424-T437 HydrophobicContact CG2-CG2 4.17Å; T437-G439 PolarHBondContact O-N 2.89Å; T437-Y440 PolarHBondContact O-N 2.95Å; T437-Y440 WeakPolarHBondContact OG1-CD2 3.5Å
438	A	85.5	Confident	83.5	Confident	98 Å²	98	57.8 Å²	57.8	81%	0.81	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	141	174.2	0	0	0	0	0	111.2	Y440	A438-Y440 VanDerWaalsContact C-N 3.35Å
439	G	85.2	Confident	84.2	Confident	17 Å²	17	60.5 Å²	60.5	18%	0.175	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-4.3	-171	0	0	0	0	0	114.8	T437 V453	T437-G439 PolarHBondContact O-N 2.89Å; G439-V453 PolarHBondContact O-N 3.37Å
440	Y	90.8	Very high	85	Confident	53 Å²	53	60 Å²	60	21%	0.208	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.3	177	-60.5	-90.7	0	0	0	111.7	C436 T437 A438 V451 D452 Q470 G471	C436-Y440 WeakPolarHBondContact CB-O 3.37Å; T437-Y440 PolarHBondContact O-N 2.95Å; T437-Y440 WeakPolarHBondContact OG1-CD2 3.5Å; A438-Y440 VanDerWaalsContact C-N 3.35Å; Y440-V451 CarbonylContact C-O 3.5Å; Y440-V451 VanDerWaalsContact CA-O 3.31Å; Y440-V451 WeakPolarHBondContact CA-O 3.49Å; Y440-D452 HydrophobicContact CD1-CB 4.43Å; Y440-D452 HydrophobicContact CE1-CB 4.37Å; Y440-Q470 HydrophobicContact CE1-CG 4.22Å; Y440-G471 VanDerWaalsContact CE2-CA 3.47Å; Y440-G471 VanDerWaalsContact CZ-CA 3.46Å
441	S	88.1	Confident	85.9	Confident	52 Å²	52	59.8 Å²	59.8	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	152.4	175.6	60.8	0	0	0	0	110.6	S443 C450 V451	S441-S443 PolarHBondContact O-N 2.65Å; S441-C450 CarbonylContact O-C 3.58Å; S441-C450 WeakPolarHBondContact O-CA 3.42Å; S441-V451 PolarHBondContact N-O 3.03Å; S441-V451 WeakPolarHBondContact O-CG2 3.44Å; S441-V451 PolarHBondContact O-N 2.97Å; S441-V451 WeakPolarHBondContact OG-CG2 3.39Å
442	V	87.1	Confident	86.6	Confident	61 Å²	61	61.5 Å²	61.5	37%	0.37	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	132.1	177.7	177.9	0	0	0	0	108.9	P447	V442-P447 HydrophobicContact CG1-CB 4.34Å; V442-P447 WeakPolarHBondContact CG1-O 3.42Å
443	S	86.9	Confident	87.1	Confident	16 Å²	16	62.6 Å²	62.6	11%	0.112	36%	0.358	C	S	.	.			trans	-60.6	132.5	-179.3	-177.4	0	0	0	0	110.5	S441 F445 D446 N449	S441-S443 PolarHBondContact O-N 2.65Å; S443-F445 PolarHBondContact O-N 3.07Å; S443-F445 VanDerWaalsContact O-N 3.16Å; S443-F445 PolarHBondContact OG-N 3.29Å; S443-D446 WeakPolarHBondContact CB-O 3.4Å; S443-D446 CarbonylContact O-C 3.33Å; S443-D446 PolarHBondContact O-N 3.13Å; S443-N449 PolarHBondContact N-O 3.28Å
444	P	82.4	Confident	87.6	Confident	110 Å²	110	60.8 Å²	60.8	71%	0.714	36%	0.355	S	S	*	.	S	Bend	trans	-65.3	-17.2	175.9	24.3	-32	0	0	0	113
445	F	85.5	Confident	87.8	Confident	192 Å²	192	61.3 Å²	61.3	84%	0.842	36%	0.356	S	S	*	.	S	Bend	trans	-98	-28.7	-178.6	-56.2	-72.6	0	0	0	113.5	S443	S443-F445 PolarHBondContact O-N 3.07Å; S443-F445 VanDerWaalsContact O-N 3.16Å; S443-F445 PolarHBondContact OG-N 3.29Å
446	D	85.4	Confident	88	Confident	57 Å²	57	62.4 Å²	62.4	31%	0.305	36%	0.363	S	S	.	.			trans	-141.6	105.6	178.6	-174.7	-5.6	0	0	0	109.8	S443 K448 N449	S443-D446 WeakPolarHBondContact CB-O 3.4Å; S443-D446 CarbonylContact O-C 3.33Å; S443-D446 PolarHBondContact O-N 3.13Å; D446-K448 PolarHBondContact O-N 3Å; D446-K448 WeakPolarHBondContact OD1-CB 3.32Å; D446-K448 PolarHBondContact OD1-N 3.01Å; D446-N449 HydrophobicContact CB-CB 4.4Å; D446-N449 PolarHBondContact O-N 3.22Å; D446-N449 PolarHBondContact OD2-ND2 3.17Å
447	P	84	Confident	87.9	Confident	92 Å²	92	67.1 Å²	67.1	60%	0.597	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-11.6	179.1	-26	34.5	0	0	0	114.9	C434 V442	C434-P447 VanDerWaalsContact CB-O 3.22Å; C434-P447 WeakPolarHBondContact CB-O 3.16Å; V442-P447 HydrophobicContact CG1-CB 4.34Å; V442-P447 WeakPolarHBondContact CG1-O 3.42Å
448	K	85.3	Confident	87.7	Confident	97 Å²	97	68.1 Å²	68.1	42%	0.422	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-17.4	178.7	-58.5	178.7	-176.7	175.9	0	114.2	T419 Q422 D446	T419-K448 HydrophobicContact CG2-CD 4.48Å; Q422-K448 WeakPolarHBondContact CB-O 3.2Å; Q422-K448 PolarHBondContact N-O 2.88Å; D446-K448 PolarHBondContact O-N 3Å; D446-K448 WeakPolarHBondContact OD1-CB 3.32Å; D446-K448 PolarHBondContact OD1-N 3.01Å
449	N	89.8	Confident	87.5	Confident	67 Å²	67	66.5 Å²	66.5	36%	0.358	37%	0.374	S	S	.	.			trans	-101.5	150.5	-177.4	-66.3	-33.5	0	0	0	111.6	Q422 S443 D446	Q422-N449 VanDerWaalsContact OE1-CA 3.29Å; S443-N449 PolarHBondContact N-O 3.28Å; D446-N449 HydrophobicContact CB-CB 4.4Å; D446-N449 PolarHBondContact O-N 3.22Å; D446-N449 PolarHBondContact OD2-ND2 3.17Å
450	C	89.8	Confident	87.5	Confident	12 Å²	12	66.2 Å²	66.2	8%	0.081	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.9	179.6	-66.8	0	0	0	0	109.2	Q422 Q423 C436 S441	Q422-C450 PolarHBondContact NE2-O 2.05Å; Q422-C450 PolarHBondContact OE1-O 2.65Å; Q423-C450 HydrophobicContact CG-CB 4.21Å; Q423-C450 PolarHBondContact OE1-SG 3.17Å; C436-C450 VanDerWaalsContact CA-SG 3.51Å; C436-C450 HydrophobicContact CB-CB 3.78Å; C436-C450 WeakPolarHBondContact CB-SG 3.24Å; C436-C450 WeakPolarHBondContact SG-CA 3.44Å; C436-C450 WeakPolarHBondContact SG-CB 3.02Å; C436-C450 CovalentContact SG-SG 2.03Å; C436-C450 PolarHBondContact SG-SG 3.07Å; S441-C450 CarbonylContact O-C 3.58Å; S441-C450 WeakPolarHBondContact O-CA 3.42Å
451	V	91	Very high	87.4	Confident	60 Å²	60	64.6 Å²	64.6	36%	0.364	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.3	175.5	-64.8	0	0	0	0	109.4	Y440 S441 V453	Y440-V451 CarbonylContact C-O 3.5Å; Y440-V451 VanDerWaalsContact CA-O 3.31Å; Y440-V451 WeakPolarHBondContact CA-O 3.49Å; S441-V451 PolarHBondContact N-O 3.03Å; S441-V451 WeakPolarHBondContact O-CG2 3.44Å; S441-V451 PolarHBondContact O-N 2.97Å; S441-V451 WeakPolarHBondContact OG-CG2 3.39Å; V451-V453 PolarHBondContact O-N 2.79Å
452	D	92.2	Very high	87.5	Confident	51 Å²	51	62.5 Å²	62.5	27%	0.273	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	131.3	174.8	-177.3	55.1	0	0	0	110.7	Y440 N454 N468 G471	Y440-D452 HydrophobicContact CD1-CB 4.43Å; Y440-D452 HydrophobicContact CE1-CB 4.37Å; D452-N454 PolarHBondContact O-N 3.3Å; D452-N468 PolarHBondContact OD2-ND2 3.32Å; D452-G471 PolarHBondContact OD1-N 3.39Å
453	V	90.2	Very high	87.6	Confident	51 Å²	51	59.7 Å²	59.7	31%	0.309	34%	0.335	S	S	.	.			trans	-82.7	114.9	172.6	176.2	0	0	0	0	106.7	G439 V451 E455 N468	G439-V453 PolarHBondContact O-N 3.37Å; V451-V453 PolarHBondContact O-N 2.79Å; V453-E455 HydrophobicContact CG1-CG 4.23Å; V453-E455 PolarHBondContact O-N 3.17Å; V453-N468 PolarHBondContact O-OD1 3.42Å
454	N	91.1	Very high	87.8	Confident	62 Å²	62	59.8 Å²	59.8	33%	0.332	33%	0.334	S	S	.	.			trans	-77.9	94.1	172.6	-177.3	-12	0	0	0	109.9	D452 C456 N457 N468	D452-N454 PolarHBondContact O-N 3.3Å; N454-C456 PolarHBondContact O-N 2.82Å; N454-C456 VanDerWaalsContact OD1-CB 3.32Å; N454-C456 WeakPolarHBondContact OD1-CB 3.41Å; N454-C456 PolarHBondContact OD1-N 3.42Å; N454-C456 VanDerWaalsContact OD1-N 3.15Å; N454-N457 WeakPolarHBondContact O-CB 3.15Å; N454-N457 PolarHBondContact O-N 2.69Å; N454-N468 WeakPolarHBondContact CA-OD1 3.34Å; N454-N468 WeakPolarHBondContact OD1-CB 3.49Å
455	E	91.2	Very high	88.2	Confident	28 Å²	28	57.1 Å²	57.1	13%	0.131	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-66.7	-19.2	-176.7	-60.7	91.1	168.6	0	0	113	V453 N457 T458 T461 N468 Y473	V453-E455 HydrophobicContact CG1-CG 4.23Å; V453-E455 PolarHBondContact O-N 3.17Å; E455-N457 PolarHBondContact O-N 2.97Å; E455-T458 PolarHBondContact O-N 3.5Å; E455-T461 HydrophobicContact CB-CG2 3.79Å; E455-T461 WeakPolarHBondContact O-CB 3.23Å; E455-T461 PolarHBondContact O-OG1 3.44Å; E455-N468 PolarHBondContact OE2-OD1 3.03Å; E455-Y473 HydrophobicContact CB-CD1 3.6Å; E455-Y473 HydrophobicContact CB-CE1 4.13Å; E455-Y473 HydrophobicContact CB-CG 4.03Å; E455-Y473 HydrophobicContact CG-CD1 3.59Å; E455-Y473 HydrophobicContact CG-CE1 4.01Å; E455-Y473 HydrophobicContact CG-CG 4.46Å
456	C	89.4	Confident	88.5	Confident	41 Å²	41	49.7 Å²	49.7	28%	0.277	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-69.6	-11.2	176.7	-55.1	0	0	0	0	113.7	N454 T458 C466 N468	N454-C456 PolarHBondContact O-N 2.82Å; N454-C456 VanDerWaalsContact OD1-CB 3.32Å; N454-C456 WeakPolarHBondContact OD1-CB 3.41Å; N454-C456 PolarHBondContact OD1-N 3.42Å; N454-C456 VanDerWaalsContact OD1-N 3.15Å; C456-T458 VanDerWaalsContact C-N 3.28Å; C456-C466 WeakPolarHBondContact CA-SG 3.27Å; C456-C466 HydrophobicContact CB-CB 3.65Å; C456-C466 WeakPolarHBondContact CB-SG 3.22Å; C456-C466 WeakPolarHBondContact SG-CB 3.5Å; C456-C466 PolarHBondContact SG-O 2.83Å; C456-C466 CovalentContact SG-SG 2.04Å; C456-C466 PolarHBondContact SG-SG 3.38Å; C456-N468 PolarHBondContact SG-N 2.82Å
457	N	86.6	Confident	88.9	Confident	126 Å²	126	50.2 Å²	50.2	67%	0.674	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-77.1	-15.2	171.1	-67.8	-27.3	0	0	0	112.9	N454 E455 P459	N454-N457 WeakPolarHBondContact O-CB 3.15Å; N454-N457 PolarHBondContact O-N 2.69Å; E455-N457 PolarHBondContact O-N 2.97Å; N457-P459 WeakPolarHBondContact O-CD 3.28Å
458	T	84	Confident	89.3	Confident	87 Å²	87	48.2 Å²	48.2	53%	0.534	27%	0.271	S	S	.	.	S	Bend	trans	-94.2	113.2	177.5	-56.6	0	0	0	0	109.3	E455 C456 G460 T461	E455-T458 PolarHBondContact O-N 3.5Å; C456-T458 VanDerWaalsContact C-N 3.28Å; T458-G460 PolarHBondContact O-N 3.29Å; T458-T461 WeakPolarHBondContact CB-OG1 3.48Å; T458-T461 WeakPolarHBondContact O-CB 3.5Å; T458-T461 PolarHBondContact O-N 3.42Å; T458-T461 PolarHBondContact O-OG1 3.11Å
459	P	81.3	Confident	89.6	Confident	64 Å²	64	45.7 Å²	45.7	42%	0.416	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	140.2	179.1	-29.4	43.1	0	0	0	111.6	N457 K697 F735	N457-P459 WeakPolarHBondContact O-CD 3.28Å; P459-K697 VanDerWaalsContact CG-NZ 3.28Å; P459-F735 HydrophobicContact CB-CD1 4.04Å
460	G	84.9	Confident	89.6	Confident	12 Å²	12	50.3 Å²	50.3	12%	0.124	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	2.4	-173.2	0	0	0	0	0	114.4	T458 C462 R488	T458-G460 PolarHBondContact O-N 3.29Å; G460-C462 VanDerWaalsContact C-N 3.29Å; G460-C462 PolarHBondContact O-N 3.28Å; G460-R488 PolarHBondContact O-NE 2.63Å; G460-R488 PolarHBondContact O-NH2 3.03Å
461	T	89.4	Confident	89.4	Confident	18 Å²	18	50.7 Å²	50.7	11%	0.11	29%	0.289	C	S	.	.	S	Bend	trans	-58.2	-43.8	168	-67	0	0	0	0	111.3	E455 T458 Y473 R488	E455-T461 HydrophobicContact CB-CG2 3.79Å; E455-T461 WeakPolarHBondContact O-CB 3.23Å; E455-T461 PolarHBondContact O-OG1 3.44Å; T458-T461 WeakPolarHBondContact CB-OG1 3.48Å; T458-T461 WeakPolarHBondContact O-CB 3.5Å; T458-T461 PolarHBondContact O-N 3.42Å; T458-T461 PolarHBondContact O-OG1 3.11Å; T461-Y473 HydrophobicContact CG2-CD1 4.18Å; T461-Y473 HydrophobicContact CG2-CD2 3.52Å; T461-Y473 HydrophobicContact CG2-CE1 4.03Å; T461-Y473 HydrophobicContact CG2-CE2 3.32Å; T461-Y473 HydrophobicContact CG2-CG 3.95Å; T461-R488 VanDerWaalsContact O-CD 3.25Å; T461-R488 WeakPolarHBondContact O-CD 3.26Å; T461-R488 VanDerWaalsContact O-CG 3.27Å; T461-R488 WeakPolarHBondContact O-CG 3.35Å; T461-R488 PolarHBondContact O-NE 2.82Å
462	C	91	Very high	89.4	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.054	29%	0.291	C	S	.	.	S	Bend	trans	-122.6	153.8	169.1	-60	0	0	0	0	108.6	G460 Q464 C466 C475	G460-C462 VanDerWaalsContact C-N 3.29Å; G460-C462 PolarHBondContact O-N 3.28Å; C462-Q464 PolarHBondContact O-N 2.55Å; C462-C466 HydrophobicContact CB-CB 4Å; C462-C466 VanDerWaalsContact SG-CB 3.54Å; C462-C475 VanDerWaalsContact CA-SG 3.52Å; C462-C475 HydrophobicContact CB-CB 3.64Å; C462-C475 WeakPolarHBondContact CB-SG 3.47Å; C462-C475 WeakPolarHBondContact SG-CA 3.44Å; C462-C475 WeakPolarHBondContact SG-CB 3.5Å; C462-C475 CovalentContact SG-SG 2.03Å; C462-C475 PolarHBondContact SG-SG 2.92Å
463	S	89.4	Confident	89.5	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.014	29%	0.294	C	S	.	.	S	Bend	trans	-62.8	-33.7	173.4	-59.9	0	0	0	0	113.1	R488 S489 C490 E717	S463-R488 PolarHBondContact N-O 3.25Å; S463-R488 VanDerWaalsContact N-O 3.16Å; S463-S489 WeakPolarHBondContact OG-CA 3.2Å; S463-C490 PolarHBondContact OG-N 2.74Å; S463-E717 WeakPolarHBondContact CB-OE1 2.79Å; S463-E717 WeakPolarHBondContact OG-CG 3.38Å; S463-E717 PolarHBondContact OG-OE1 2.66Å
464	Q	89.4	Confident	89.6	Confident	18 Å²	18	55.4 Å²	55.4	8%	0.084	31%	0.305	C	S	.	.	S	Bend	trans	-137.5	-108.5	-170.1	-65.6	178.8	-5.5	0	0	109	C462 C466 C477 C490 E673	C462-Q464 PolarHBondContact O-N 2.55Å; Q464-C466 PolarHBondContact O-N 3.41Å; Q464-C477 VanDerWaalsContact OE1-CA 3.28Å; Q464-C490 HydrophobicContact CG-CB 3.97Å; Q464-E673 WeakPolarHBondContact CA-OE1 3.25Å
465	I	90.6	Very high	89.8	Confident	55 Å²	55	52.9 Å²	52.9	28%	0.282	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124	-173.6	-55.9	165.8	0	0	0	110.5	I467 C475 R476	I465-I467 HydrophobicContact CG2-CG1 4.35Å; I465-C475 CarbonylContact O-C 3.58Å; I465-C475 WeakPolarHBondContact O-CA 3.4Å; I465-R476 HydrophobicContact CB-CB 4.1Å; I465-R476 WeakPolarHBondContact CB-O 3.42Å; I465-R476 HydrophobicContact CG2-CB 4.28Å; I465-R476 PolarHBondContact N-O 3.49Å; I465-R476 VanDerWaalsContact N-O 3.12Å; I465-R476 PolarHBondContact O-N 3.11Å
466	C	92.2	Very high	89.9	Confident	36 Å²	36	56.8 Å²	56.8	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.8	172.1	-177	0	0	0	0	111.1	C456 C462 Q464	C456-C466 WeakPolarHBondContact CA-SG 3.27Å; C456-C466 HydrophobicContact CB-CB 3.65Å; C456-C466 WeakPolarHBondContact CB-SG 3.22Å; C456-C466 WeakPolarHBondContact SG-CB 3.5Å; C456-C466 PolarHBondContact SG-O 2.83Å; C456-C466 CovalentContact SG-SG 2.04Å; C456-C466 PolarHBondContact SG-SG 3.38Å; C462-C466 HydrophobicContact CB-CB 4Å; C462-C466 VanDerWaalsContact SG-CB 3.54Å; Q464-C466 PolarHBondContact O-N 3.41Å
467	I	93.5	Very high	90	Very high	67 Å²	67	56.1 Å²	56.1	34%	0.344	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.4	174.3	-58.3	175.3	0	0	0	108.2	I465 Y473 Q474 R476	I465-I467 HydrophobicContact CG2-CG1 4.35Å; I467-Y473 CarbonylContact O-C 3.31Å; I467-Y473 WeakPolarHBondContact O-CA 3.44Å; I467-Q474 PolarHBondContact N-O 2.66Å; I467-Q474 PolarHBondContact O-N 3.31Å; I467-R476 HydrophobicContact CD1-CG 4.19Å
468	N	92.7	Very high	90.1	Very high	51 Å²	51	51.2 Å²	51.2	27%	0.273	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.8	175.2	-171.2	57.9	0	0	0	110.4	D452 V453 N454 E455 C456	D452-N468 PolarHBondContact OD2-ND2 3.32Å; V453-N468 PolarHBondContact O-OD1 3.42Å; N454-N468 WeakPolarHBondContact CA-OD1 3.34Å; N454-N468 WeakPolarHBondContact OD1-CB 3.49Å; E455-N468 PolarHBondContact OE2-OD1 3.03Å; C456-N468 PolarHBondContact SG-N 2.82Å
469	T	92.2	Very high	90.2	Very high	43 Å²	43	52.9 Å²	52.9	26%	0.264	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	164.3	173.8	63.4	0	0	0	0	109.1	G471 S472 Q474	T469-G471 PolarHBondContact O-N 3.06Å; T469-S472 CarbonylContact C-O 3.38Å; T469-S472 VanDerWaalsContact CA-O 3.24Å; T469-S472 WeakPolarHBondContact CA-O 3.4Å; T469-S472 WeakPolarHBondContact CB-O 3.42Å; T469-S472 PolarHBondContact N-O 3.28Å; T469-S472 PolarHBondContact O-N 3.03Å; T469-S472 PolarHBondContact OG1-O 3.18Å; T469-Q474 HydrophobicContact CG2-CG 4.29Å
470	Q	90.3	Very high	90.5	Very high	165 Å²	165	51.2 Å²	51.2	77%	0.771	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	110.9	-178.6	-163.2	-176.3	0.7	0	0	110.5	Y440	Y440-Q470 HydrophobicContact CE1-CG 4.22Å
471	G	85.7	Confident	90.9	Very high	19 Å²	19	52.1 Å²	52.1	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	9	-179.9	0	0	0	0	0	115.2	Y440 D452 T469	Y440-G471 VanDerWaalsContact CE2-CA 3.47Å; Y440-G471 VanDerWaalsContact CZ-CA 3.46Å; D452-G471 PolarHBondContact OD1-N 3.39Å; T469-G471 PolarHBondContact O-N 3.06Å
472	S	91.5	Very high	91.1	Very high	59 Å²	59	53.4 Å²	53.4	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	176.9	-178	-174.7	0	0	0	0	110.1	T469	T469-S472 CarbonylContact C-O 3.38Å; T469-S472 VanDerWaalsContact CA-O 3.24Å; T469-S472 WeakPolarHBondContact CA-O 3.4Å; T469-S472 WeakPolarHBondContact CB-O 3.42Å; T469-S472 PolarHBondContact N-O 3.28Å; T469-S472 PolarHBondContact O-N 3.03Å; T469-S472 PolarHBondContact OG1-O 3.18Å
473	Y	92.9	Very high	91.2	Very high	83 Å²	83	56.6 Å²	56.6	33%	0.325	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	170	169.4	61.6	-79.7	0	0	0	111.1	E455 T461 I467	E455-Y473 HydrophobicContact CB-CD1 3.6Å; E455-Y473 HydrophobicContact CB-CE1 4.13Å; E455-Y473 HydrophobicContact CB-CG 4.03Å; E455-Y473 HydrophobicContact CG-CD1 3.59Å; E455-Y473 HydrophobicContact CG-CE1 4.01Å; E455-Y473 HydrophobicContact CG-CG 4.46Å; T461-Y473 HydrophobicContact CG2-CD1 4.18Å; T461-Y473 HydrophobicContact CG2-CD2 3.52Å; T461-Y473 HydrophobicContact CG2-CE1 4.03Å; T461-Y473 HydrophobicContact CG2-CE2 3.32Å; T461-Y473 HydrophobicContact CG2-CG 3.95Å; I467-Y473 CarbonylContact O-C 3.31Å; I467-Y473 WeakPolarHBondContact O-CA 3.44Å
474	Q	93.1	Very high	91.2	Very high	119 Å²	119	60.1 Å²	60.1	56%	0.556	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.9	172.6	-63.1	-177.2	5	0	0	109.9	I467 T469	I467-Q474 PolarHBondContact N-O 2.66Å; I467-Q474 PolarHBondContact O-N 3.31Å; T469-Q474 HydrophobicContact CG2-CG 4.29Å
475	C	94.1	Very high	91.2	Very high	10 Å²	10	70.3 Å²	70.3	7%	0.068	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	144.4	174.8	-55.3	0	0	0	0	111.4	C462 I465 L483 K487	C462-C475 VanDerWaalsContact CA-SG 3.52Å; C462-C475 HydrophobicContact CB-CB 3.64Å; C462-C475 WeakPolarHBondContact CB-SG 3.47Å; C462-C475 WeakPolarHBondContact SG-CA 3.44Å; C462-C475 WeakPolarHBondContact SG-CB 3.5Å; C462-C475 CovalentContact SG-SG 2.03Å; C462-C475 PolarHBondContact SG-SG 2.92Å; I465-C475 CarbonylContact O-C 3.58Å; I465-C475 WeakPolarHBondContact O-CA 3.4Å; C475-L483 HydrophobicContact CB-CD1 4.19Å; C475-K487 VanDerWaalsContact CB-O 3.3Å; C475-K487 WeakPolarHBondContact CB-O 3.19Å
476	R	93.1	Very high	91.1	Very high	109 Å²	109	71.8 Å²	71.8	41%	0.411	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	162	172.3	-64.1	-174.8	68.3	-177.6	-2.4	109.7	I465 I467 L913	I465-R476 HydrophobicContact CB-CB 4.1Å; I465-R476 WeakPolarHBondContact CB-O 3.42Å; I465-R476 HydrophobicContact CG2-CB 4.28Å; I465-R476 PolarHBondContact N-O 3.49Å; I465-R476 VanDerWaalsContact N-O 3.12Å; I465-R476 PolarHBondContact O-N 3.11Å; I467-R476 HydrophobicContact CD1-CG 4.19Å; R476-L913 VanDerWaalsContact NH2-CD2 3.31Å
477	C	92.5	Very high	90.9	Very high	28 Å²	28	77.6 Å²	77.6	19%	0.189	39%	0.385	C	S	.	.			trans	-113.2	148.9	179.2	-52.7	0	0	0	0	110.9	Q464 L483 C490	Q464-C477 VanDerWaalsContact OE1-CA 3.28Å; C477-L483 WeakPolarHBondContact SG-CA 3.45Å; C477-L483 PolarHBondContact SG-N 2.82Å; C477-L483 VanDerWaalsContact SG-N 3.37Å; C477-C490 WeakPolarHBondContact CA-SG 3.12Å; C477-C490 HydrophobicContact CB-CB 3.75Å; C477-C490 WeakPolarHBondContact CB-SG 3.04Å; C477-C490 VanDerWaalsContact SG-CA 3.52Å; C477-C490 WeakPolarHBondContact SG-CB 3.27Å; C477-C490 CovalentContact SG-SG 2.03Å; C477-C490 PolarHBondContact SG-SG 3.44Å
478	H	89.5	Confident	90.7	Very high	22 Å²	22	77.8 Å²	77.8	10%	0.102	38%	0.381	C	S	.	.			trans	-65.4	161.7	168.9	-72.7	-68.4	0	0	0	111.1	G480 Y481 L672 D909	H478-G480 PolarHBondContact O-N 2.02Å; H478-Y481 HydrophobicContact CB-CD2 4.38Å; H478-Y481 WeakPolarHBondContact O-CB 3.49Å; H478-Y481 PolarHBondContact O-N 2.98Å; H478-L672 HydrophobicContact CB-CD1 4.42Å; H478-L672 HydrophobicContact CB-CD2 4.19Å; H478-D909 IonicContact ND1-OD2 3.93Å
479	H	85.5	Confident	90.5	Very high	122 Å²	122	76.6 Å²	76.6	57%	0.565	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	136.9	175.3	178.6	-88.6	0	0	0	111.5	Y481 R912	H479-Y481 VanDerWaalsContact C-N 3.34Å; H479-R912 PolarHBondContact NE2-NH1 3.42Å; H479-R912 VanDerWaalsContact NE2-NH1 3.17Å
480	G	88.1	Confident	90.6	Very high	30 Å²	30	74.7 Å²	74.7	31%	0.309	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	4.8	-174.7	0	0	0	0	0	114.4	H478 V493	H478-G480 PolarHBondContact O-N 2.02Å; G480-V493 PolarHBondContact O-N 2.95Å
481	Y	92.9	Very high	90.7	Very high	31 Å²	31	72.1 Å²	72.1	12%	0.122	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.9	173.7	-66.1	-101.5	0	0	0	111.1	H478 H479 R491 A492 L672 E716 A759	H478-Y481 HydrophobicContact CB-CD2 4.38Å; H478-Y481 WeakPolarHBondContact O-CB 3.49Å; H478-Y481 PolarHBondContact O-N 2.98Å; H479-Y481 VanDerWaalsContact C-N 3.34Å; Y481-R491 CarbonylContact C-O 3.54Å; Y481-R491 VanDerWaalsContact CA-O 3.25Å; Y481-R491 WeakPolarHBondContact CA-O 3.49Å; Y481-A492 HydrophobicContact CD1-CB 3.93Å; Y481-A492 HydrophobicContact CE1-CB 3.67Å; Y481-L672 HydrophobicContact CD2-CD1 4.31Å; Y481-L672 HydrophobicContact CE2-CD1 3.58Å; Y481-E716 HydrophobicContact CE1-CG 4.26Å; Y481-A759 HydrophobicContact CE2-CB 4.19Å; Y481-A759 PolarHBondContact OH-O 2.81Å
482	A	92.8	Very high	91	Very high	44 Å²	44	72 Å²	72	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131	178.1	0	0	0	0	0	111	Q484 R491 V493	A482-Q484 PolarHBondContact O-N 3.31Å; A482-Q484 PolarHBondContact O-NE2 2.98Å; A482-R491 PolarHBondContact N-O 2.82Å; A482-R491 PolarHBondContact O-N 2.9Å; A482-V493 HydrophobicContact CB-CG2 3.92Å
483	L	92.8	Very high	91	Very high	75 Å²	75	73.7 Å²	73.7	39%	0.393	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.2	176.1	-169.9	69.2	0	0	0	109.6	C475 C477	C475-L483 HydrophobicContact CB-CD1 4.19Å; C477-L483 WeakPolarHBondContact SG-CA 3.45Å; C477-L483 PolarHBondContact SG-N 2.82Å; C477-L483 VanDerWaalsContact SG-N 3.37Å
484	Q	90.2	Very high	90.9	Very high	76 Å²	76	72.3 Å²	72.3	36%	0.355	36%	0.364	S	S	.	.			trans	-76.2	169.5	179.2	-63.6	-58.3	-64.3	0	0	111.6	A482 D486 K487 S489 R491	A482-Q484 PolarHBondContact O-N 3.31Å; A482-Q484 PolarHBondContact O-NE2 2.98Å; Q484-D486 WeakPolarHBondContact CB-OD1 3.32Å; Q484-D486 PolarHBondContact O-N 2.68Å; Q484-K487 PolarHBondContact O-N 3.01Å; Q484-S489 WeakPolarHBondContact CB-O 2.95Å; Q484-S489 WeakPolarHBondContact CG-O 3.38Å; Q484-S489 PolarHBondContact N-O 2.91Å; Q484-R491 HydrophobicContact CG-CB 4.18Å; Q484-R491 VanDerWaalsContact NE2-CB 3.26Å
485	Y	89.1	Confident	90.7	Very high	232 Å²	232	70 Å²	70	91%	0.91	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.1	-177.6	-172.9	-95.8	0	0	0	113.5	K487	Y485-K487 PolarHBondContact O-N 3.21Å
486	D	88.7	Confident	90.6	Very high	86 Å²	86	74.9 Å²	74.9	46%	0.46	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.5	174.4	71.7	-11.2	0	0	0	113.5	Q484 R488 S489	Q484-D486 WeakPolarHBondContact CB-OD1 3.32Å; Q484-D486 PolarHBondContact O-N 2.68Å; D486-R488 PolarHBondContact O-N 3.02Å; D486-R488 VanDerWaalsContact O-N 3.13Å; D486-R488 PolarHBondContact OD1-N 2.93Å; D486-S489 PolarHBondContact OD1-N 2.84Å; D486-S489 VanDerWaalsContact OD2-CB 3.31Å; D486-S489 WeakPolarHBondContact OD2-CB 3.14Å; D486-S489 PolarHBondContact OD2-N 2.93Å; D486-S489 PolarHBondContact OD2-OG 2.96Å
487	K	88.4	Confident	90.6	Very high	159 Å²	159	70.6 Å²	70.6	69%	0.691	37%	0.366	S	S	*	.	S	Bend	trans	57.4	19.9	-177.4	-56.2	-179.8	-179.3	177.5	0	114	C475 Q484 Y485	C475-K487 VanDerWaalsContact CB-O 3.3Å; C475-K487 WeakPolarHBondContact CB-O 3.19Å; Q484-K487 PolarHBondContact O-N 3.01Å; Y485-K487 PolarHBondContact O-N 3.21Å
488	R	89.2	Confident	90.7	Very high	71 Å²	71	72 Å²	72	27%	0.268	37%	0.369	S	S	.	.	S	Bend	trans	-125.8	-44.7	-179.1	166.7	172.5	173.2	-77.7	-5.9	111.1	G460 T461 S463 D486 E717	G460-R488 PolarHBondContact O-NE 2.63Å; G460-R488 PolarHBondContact O-NH2 3.03Å; T461-R488 VanDerWaalsContact O-CD 3.25Å; T461-R488 WeakPolarHBondContact O-CD 3.26Å; T461-R488 VanDerWaalsContact O-CG 3.27Å; T461-R488 WeakPolarHBondContact O-CG 3.35Å; T461-R488 PolarHBondContact O-NE 2.82Å; S463-R488 PolarHBondContact N-O 3.25Å; S463-R488 VanDerWaalsContact N-O 3.16Å; D486-R488 PolarHBondContact O-N 3.02Å; D486-R488 VanDerWaalsContact O-N 3.13Å; D486-R488 PolarHBondContact OD1-N 2.93Å; R488-E717 IonicContact CZ-OE1 3.33Å; R488-E717 IonicContact CZ-OE2 3.99Å; R488-E717 IonicContact NH1-OE1 2.7Å; R488-E717 PolarHBondContact NH1-OE1 2.99Å; R488-E717 IonicContact NH1-OE2 3.96Å; R488-E717 PolarHBondContact NH1-OE2 2.78Å; R488-E717 IonicContact NH2-OE1 3.53Å; R488-E717 IonicContact NH2-OE2 3.65Å; R488-E717 PolarHBondContact NH2-OE2 3.18Å
489	S	89	Confident	91	Very high	25 Å²	25	71 Å²	71	18%	0.175	36%	0.364	C	S	.	.			trans	-89.1	136.2	-169.9	-72.8	0	0	0	0	113.2	S463 Q484 D486 E717	S463-S489 WeakPolarHBondContact OG-CA 3.2Å; Q484-S489 WeakPolarHBondContact CB-O 2.95Å; Q484-S489 WeakPolarHBondContact CG-O 3.38Å; Q484-S489 PolarHBondContact N-O 2.91Å; D486-S489 PolarHBondContact OD1-N 2.84Å; D486-S489 VanDerWaalsContact OD2-CB 3.31Å; D486-S489 WeakPolarHBondContact OD2-CB 3.14Å; D486-S489 PolarHBondContact OD2-N 2.93Å; D486-S489 PolarHBondContact OD2-OG 2.96Å; S489-E717 PolarHBondContact OG-OE1 3.23Å
490	C	93.2	Very high	91.5	Very high	4 Å²	4	65.3 Å²	65.3	3%	0.027	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.6	178	-68.5	0	0	0	0	110.1	S463 Q464 C477	S463-C490 PolarHBondContact OG-N 2.74Å; Q464-C490 HydrophobicContact CG-CB 3.97Å; C477-C490 WeakPolarHBondContact CA-SG 3.12Å; C477-C490 HydrophobicContact CB-CB 3.75Å; C477-C490 WeakPolarHBondContact CB-SG 3.04Å; C477-C490 VanDerWaalsContact SG-CA 3.52Å; C477-C490 WeakPolarHBondContact SG-CB 3.27Å; C477-C490 CovalentContact SG-SG 2.03Å; C477-C490 PolarHBondContact SG-SG 3.44Å
491	R	92.1	Very high	91.9	Very high	111 Å²	111	63.9 Å²	63.9	42%	0.419	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.9	179.3	-165.5	-179.8	-178.6	161.6	2.6	110.7	Y481 A482 Q484 E716	Y481-R491 CarbonylContact C-O 3.54Å; Y481-R491 VanDerWaalsContact CA-O 3.25Å; Y481-R491 WeakPolarHBondContact CA-O 3.49Å; A482-R491 PolarHBondContact N-O 2.82Å; A482-R491 PolarHBondContact O-N 2.9Å; Q484-R491 HydrophobicContact CG-CB 4.18Å; Q484-R491 VanDerWaalsContact NE2-CB 3.26Å; R491-E716 WeakPolarHBondContact CA-OE1 3.39Å; R491-E716 WeakPolarHBondContact CG-OE1 3.21Å
492	A	92.9	Very high	92	Very high	15 Å²	15	62.4 Å²	62.4	12%	0.124	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139	179.1	0	0	0	0	0	111.2	Y481 F715 E716 A759	Y481-A492 HydrophobicContact CD1-CB 3.93Å; Y481-A492 HydrophobicContact CE1-CB 3.67Å; A492-F715 HydrophobicContact CB-CE2 4.27Å; A492-F715 HydrophobicContact CB-CZ 3.73Å; A492-E716 PolarHBondContact N-OE1 2.78Å; A492-A759 HydrophobicContact CB-CB 3.87Å
493	V	91.9	Very high	91.8	Very high	95 Å²	95	60.7 Å²	60.7	58%	0.576	30%	0.302	S	S	*	.	S	Bend	trans	-85.4	123.7	170.7	-179.6	0	0	0	0	107.5	G480 A482	G480-V493 PolarHBondContact O-N 2.95Å; A482-V493 HydrophobicContact CB-CG2 3.92Å
494	G	88.8	Confident	91.7	Very high	54 Å²	54	62 Å²	62	56%	0.557	30%	0.302	S	S	*	.	S	Bend	trans	150.9	-164.3	-177.3	0	0	0	0	0	113.2
495	P	90.9	Very high	91.7	Very high	70 Å²	70	63.1 Å²	63.1	46%	0.455	31%	0.309	S	S	.	.	S	Bend	trans	-62.8	161	173.2	29.4	-34.9	0	0	0	111	H757 P758	P495-H757 PolarHBondContact O-CD2 3.16Å; P495-H757 PolarHBondContact O-NE2 3.33Å; P495-P758 HydrophobicContact CG-CG 4.24Å
496	F	90.8	Very high	91.9	Very high	113 Å²	113	52.2 Å²	52.2	50%	0.496	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-61.6	138.7	171.4	-72.3	-80	0	0	0	110.5	L513	F496-L513 HydrophobicContact CD2-CD2 4.49Å; F496-L513 HydrophobicContact CE1-CD2 4.47Å; F496-L513 HydrophobicContact CE2-CD2 4.39Å; F496-L513 HydrophobicContact CZ-CD2 4.38Å
497	P	93.2	Very high	92.1	Very high	20 Å²	20	48.1 Å²	48.1	13%	0.13	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.3	142.9	179.6	29.8	-36.3	0	0	0	110.7	L512 F715 V755 H757	P497-L512 HydrophobicContact CB-CD1 4.13Å; P497-L512 HydrophobicContact CG-CD1 4.03Å; P497-L512 WeakPolarHBondContact O-CB 3.47Å; P497-F715 HydrophobicContact CB-CD1 4.09Å; P497-F715 HydrophobicContact CB-CE1 3.62Å; P497-F715 HydrophobicContact CB-CZ 4.11Å; P497-F715 HydrophobicContact CG-CD1 4.33Å; P497-F715 HydrophobicContact CG-CE1 3.76Å; P497-V755 HydrophobicContact CB-CG1 4.45Å; P497-H757 HydrophobicContact CB-CB 4.42Å
498	K	94.8	Very high	92.3	Very high	58 Å²	58	44.2 Å²	44.2	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	163.7	173.4	-58.4	-177.1	179.6	174.8	0	109.6	Q509 I510 F756	K498-Q509 HydrophobicContact CB-CG 4.06Å; K498-Q509 VanDerWaalsContact CD-CD 3.49Å; K498-Q509 HydrophobicContact CD-CG 3.77Å; K498-Q509 VanDerWaalsContact CD-NE2 3.27Å; K498-Q509 VanDerWaalsContact NZ-NE2 3.11Å; K498-I510 CarbonylContact C-O 3.47Å; K498-I510 VanDerWaalsContact CA-O 3.28Å; K498-I510 WeakPolarHBondContact CA-O 3.31Å; K498-I510 WeakPolarHBondContact CB-O 3.36Å; K498-F756 HydrophobicContact CB-CB 4.27Å; K498-F756 PolarHBondContact N-O 3.41Å; K498-F756 PolarHBondContact O-N 2.88Å
499	L	95.8	Very high	92.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.8	168.7	-60.2	179.2	0	0	0	109.8	Q509 I510 L512 Y720 V729 V753 K754 V755	L499-Q509 CarbonylContact O-C 3.48Å; L499-Q509 WeakPolarHBondContact O-CA 3.36Å; L499-I510 HydrophobicContact CB-CB 4.26Å; L499-I510 HydrophobicContact CB-CD1 4.18Å; L499-I510 PolarHBondContact N-O 2.93Å; L499-I510 PolarHBondContact O-N 3.11Å; L499-L512 HydrophobicContact CD1-CD2 3.75Å; L499-L512 HydrophobicContact CD2-CD1 4.28Å; L499-L512 HydrophobicContact CG-CD1 4.18Å; L499-L512 HydrophobicContact CG-CD2 3.81Å; L499-L512 HydrophobicContact CG-CG 4.08Å; L499-Y720 HydrophobicContact CD1-CD1 3.99Å; L499-Y720 HydrophobicContact CD1-CE1 4.31Å; L499-Y720 HydrophobicContact CD2-CD1 4.3Å; L499-Y720 HydrophobicContact CD2-CG 4.28Å; L499-V729 HydrophobicContact CD1-CG1 4.14Å; L499-V753 HydrophobicContact CB-CG2 4.42Å; L499-V753 HydrophobicContact CD1-CG2 4.36Å; L499-V753 HydrophobicContact CD2-CG2 4.32Å; L499-K754 CarbonylContact C-O 3.49Å; L499-K754 WeakPolarHBondContact CA-O 3.34Å; L499-V755 HydrophobicContact CD2-CB 4.4Å; L499-V755 HydrophobicContact CD2-CG2 3.6Å
500	L	96.3	Very high	92.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.9	161.2	-65.1	174.3	0	0	0	108.2	R508 Q509 L520 I530 Y532 L539 V753 K754 F756	L500-R508 CarbonylContact C-O 3.48Å; L500-R508 WeakPolarHBondContact CA-O 3.46Å; L500-Q509 HydrophobicContact CD2-CB 4.02Å; L500-Q509 HydrophobicContact CD2-CG 4.15Å; L500-L520 HydrophobicContact CD2-CD1 3.48Å; L500-L520 VanDerWaalsContact CD2-CD1 3.48Å; L500-I530 HydrophobicContact CB-CD1 3.83Å; L500-Y532 HydrophobicContact CD1-CD1 3.78Å; L500-Y532 HydrophobicContact CD1-CE1 4.36Å; L500-Y532 HydrophobicContact CD1-CG 4.18Å; L500-L539 HydrophobicContact CD1-CD1 4.1Å; L500-V753 CarbonylContact O-C 3.58Å; L500-V753 WeakPolarHBondContact O-CA 2.98Å; L500-K754 HydrophobicContact CB-CB 4.49Å; L500-K754 PolarHBondContact N-O 3.49Å; L500-K754 PolarHBondContact O-N 3.33Å; L500-F756 HydrophobicContact CD1-CB 4.34Å; L500-F756 HydrophobicContact CD1-CD2 3.56Å; L500-F756 HydrophobicContact CD1-CE2 4.26Å; L500-F756 HydrophobicContact CD1-CG 4.27Å; L500-F756 HydrophobicContact CG-CB 4.04Å; L500-F756 HydrophobicContact CG-CD2 4.09Å; L500-F756 HydrophobicContact CG-CG 4.3Å
501	L	95.6	Very high	92.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124	-178.9	-179.6	67.8	0	0	0	109.9	I507 R508 I510 T722 V729 M744 I747 V750 T752 V753	L501-I507 CarbonylContact O-C 3.55Å; L501-I507 WeakPolarHBondContact O-CA 3.42Å; L501-R508 PolarHBondContact N-O 3.1Å; L501-R508 PolarHBondContact O-N 2.72Å; L501-I510 HydrophobicContact CB-CD1 3.56Å; L501-I510 HydrophobicContact CD2-CD1 3.84Å; L501-I510 HydrophobicContact CG-CD1 4.35Å; L501-T722 HydrophobicContact CD1-CG2 3.63Å; L501-V729 HydrophobicContact CD1-CG2 3.84Å; L501-V729 HydrophobicContact CD2-CG2 4.05Å; L501-M744 HydrophobicContact CD2-CE 3.62Å; L501-I747 HydrophobicContact CD2-CD1 3.63Å; L501-I747 HydrophobicContact CD2-CG2 4.26Å; L501-V750 HydrophobicContact CD1-CG1 4.27Å; L501-V750 HydrophobicContact CD2-CG1 4.18Å; L501-T752 WeakPolarHBondContact CA-O 2.92Å; L501-V753 HydrophobicContact CD1-CB 4.23Å
502	A	95	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138	168.2	0	0	0	0	0	110.4	S506 I507 V527 I530 M751 T752	A502-S506 WeakPolarHBondContact CA-O 3.11Å; A502-I507 HydrophobicContact CB-CG1 4.33Å; A502-V527 HydrophobicContact CB-CG1 3.91Å; A502-I530 HydrophobicContact CB-CD1 4.17Å; A502-I530 HydrophobicContact CB-CG1 4.41Å; A502-I530 HydrophobicContact CB-CG2 3.77Å; A502-M751 HydrophobicContact CB-CB 4.4Å; A502-M751 PolarHBondContact O-N 3.03Å; A502-T752 PolarHBondContact N-O 3.23Å
503	N	90.2	Very high	91.9	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	23%	0.226	C	C	.	.			trans	-134.8	58.9	177.3	73.6	-37.6	0	0	0	112.7	I505 S506 I747 G749	N503-I505 WeakPolarHBondContact O-CG1 3.42Å; N503-I505 PolarHBondContact O-N 3.27Å; N503-S506 PolarHBondContact N-O 3.17Å; N503-S506 VanDerWaalsContact OD1-C 3.29Å; N503-S506 WeakPolarHBondContact OD1-CA 3.44Å; N503-S506 WeakPolarHBondContact OD1-CB 3.03Å; N503-S506 PolarHBondContact OD1-N 2.8Å; N503-S506 VanDerWaalsContact OD1-N 3.13Å; N503-S506 PolarHBondContact OD1-O 2.9Å; N503-S506 PolarHBondContact OD1-OG 2.68Å; N503-I747 HydrophobicContact CB-CG2 3.47Å; N503-I747 VanDerWaalsContact CB-CG2 3.47Å; N503-G749 CarbonylContact C-O 3.44Å; N503-G749 VanDerWaalsContact C-O 3.31Å; N503-G749 WeakPolarHBondContact CA-O 3.43Å
504	R	89.8	Confident	91.6	Very high	103 Å²	103	41.3 Å²	41.3	39%	0.389	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	54.7	-55.7	-173.9	-66.7	-169.5	178.7	-84.6	2.6	115.8	S526 V527 G749 M751	R504-S526 PolarHBondContact NH1-OG 2.8Å; R504-S526 CarbonylContact O-C 3.52Å; R504-S526 VanDerWaalsContact O-CA 3.26Å; R504-S526 WeakPolarHBondContact O-CA 3.31Å; R504-V527 WeakPolarHBondContact CA-O 3.35Å; R504-V527 PolarHBondContact N-O 3.24Å; R504-V527 PolarHBondContact O-N 3.21Å; R504-G749 PolarHBondContact N-O 3.4Å; R504-M751 HydrophobicContact CG-CE 3.51Å; R504-M751 HydrophobicContact CG-CG 4.2Å; R504-M751 VanDerWaalsContact NH2-CE 3.28Å
505	I	90.9	Very high	91.5	Very high	99 Å²	99	43.1 Å²	43.1	51%	0.508	22%	0.215	S	C	.	.	S	Bend	trans	-93.4	-22.5	-175.7	61.8	169.3	0	0	0	114.4	N503 E523 M524	N503-I505 WeakPolarHBondContact O-CG1 3.42Å; N503-I505 PolarHBondContact O-N 3.27Å; I505-E523 PolarHBondContact O-N 3.37Å; I505-M524 PolarHBondContact O-N 3.32Å
506	S	92.1	Very high	91.3	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.028	21%	0.21	C	C	.	.			trans	-143.5	162.4	-178.9	71.6	0	0	0	0	113.1	A502 N503 R508 V521 N522	A502-S506 WeakPolarHBondContact CA-O 3.11Å; N503-S506 PolarHBondContact N-O 3.17Å; N503-S506 VanDerWaalsContact OD1-C 3.29Å; N503-S506 WeakPolarHBondContact OD1-CA 3.44Å; N503-S506 WeakPolarHBondContact OD1-CB 3.03Å; N503-S506 PolarHBondContact OD1-N 2.8Å; N503-S506 VanDerWaalsContact OD1-N 3.13Å; N503-S506 PolarHBondContact OD1-O 2.9Å; N503-S506 PolarHBondContact OD1-OG 2.68Å; S506-R508 PolarHBondContact OG-NE 2.96Å; S506-R508 VanDerWaalsContact OG-NE 3.11Å; S506-V521 CarbonylContact C-O 3.54Å; S506-V521 VanDerWaalsContact CA-O 3.27Å; S506-V521 WeakPolarHBondContact CA-O 3.35Å; S506-V521 VanDerWaalsContact CB-O 3.31Å; S506-V521 WeakPolarHBondContact CB-O 3.2Å; S506-N522 WeakPolarHBondContact CB-OD1 3.18Å
507	I	94.2	Very high	91.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.3	166.1	-63	161.5	0	0	0	106.5	L501 A502 L520 V521 M524 V527 I530 L539 W541	L501-I507 CarbonylContact O-C 3.55Å; L501-I507 WeakPolarHBondContact O-CA 3.42Å; A502-I507 HydrophobicContact CB-CG1 4.33Å; I507-L520 WeakPolarHBondContact O-CB 3.44Å; I507-L520 PolarHBondContact O-N 3.2Å; I507-V521 PolarHBondContact N-O 3.38Å; I507-V521 PolarHBondContact O-N 2.86Å; I507-M524 HydrophobicContact CB-CE 4.14Å; I507-M524 HydrophobicContact CD1-CE 3.91Å; I507-M524 HydrophobicContact CD1-SD 4.07Å; I507-M524 HydrophobicContact CG1-CE 3.65Å; I507-M524 HydrophobicContact CG1-SD 4.43Å; I507-M524 VanDerWaalsContact N-CE 3.28Å; I507-V527 HydrophobicContact CD1-CG1 4.19Å; I507-V527 HydrophobicContact CG1-CG1 4.17Å; I507-I530 HydrophobicContact CD1-CG2 3.87Å; I507-I530 HydrophobicContact CG1-CG2 4.03Å; I507-I530 HydrophobicContact CG2-CD1 4.39Å; I507-L539 HydrophobicContact CD1-CD2 4.28Å; I507-L539 HydrophobicContact CG2-CD2 4.21Å; I507-W541 HydrophobicContact CD1-CB 3.78Å; I507-W541 HydrophobicContact CD1-CD2 3.98Å; I507-W541 HydrophobicContact CD1-CE3 4.24Å; I507-W541 HydrophobicContact CD1-CG 3.8Å
508	R	92.4	Very high	90.8	Very high	77 Å²	77	42.6 Å²	42.6	29%	0.291	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.3	-174.8	-59.1	-179.5	-179.5	-169.7	-4.1	110.6	L500 L501 S506 H518	L500-R508 CarbonylContact C-O 3.48Å; L500-R508 WeakPolarHBondContact CA-O 3.46Å; L501-R508 PolarHBondContact N-O 3.1Å; L501-R508 PolarHBondContact O-N 2.72Å; S506-R508 PolarHBondContact OG-NE 2.96Å; S506-R508 VanDerWaalsContact OG-NE 3.11Å; R508-H518 CarbonylContact C-O 3.38Å; R508-H518 WeakPolarHBondContact CA-O 3.41Å
509	Q	93	Very high	90.5	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.1	168.4	-173.4	178.8	-84	0	0	109.2	K498 L499 L500 H518 L520	K498-Q509 HydrophobicContact CB-CG 4.06Å; K498-Q509 VanDerWaalsContact CD-CD 3.49Å; K498-Q509 HydrophobicContact CD-CG 3.77Å; K498-Q509 VanDerWaalsContact CD-NE2 3.27Å; K498-Q509 VanDerWaalsContact NZ-NE2 3.11Å; L499-Q509 CarbonylContact O-C 3.48Å; L499-Q509 WeakPolarHBondContact O-CA 3.36Å; L500-Q509 HydrophobicContact CD2-CB 4.02Å; L500-Q509 HydrophobicContact CD2-CG 4.15Å; Q509-H518 PolarHBondContact N-O 3.43Å; Q509-H518 PolarHBondContact O-N 2.83Å; Q509-L520 HydrophobicContact CB-CD1 4Å; Q509-L520 HydrophobicContact CB-CD2 4.41Å; Q509-L520 HydrophobicContact CB-CG 4.05Å
510	I	92.5	Very high	90.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.3	-179.6	-56.4	134.9	0	0	0	108.4	K498 L499 L501 T516 A517 M744	K498-I510 CarbonylContact C-O 3.47Å; K498-I510 VanDerWaalsContact CA-O 3.28Å; K498-I510 WeakPolarHBondContact CA-O 3.31Å; K498-I510 WeakPolarHBondContact CB-O 3.36Å; L499-I510 HydrophobicContact CB-CB 4.26Å; L499-I510 HydrophobicContact CB-CD1 4.18Å; L499-I510 PolarHBondContact N-O 2.93Å; L499-I510 PolarHBondContact O-N 3.11Å; L501-I510 HydrophobicContact CB-CD1 3.56Å; L501-I510 HydrophobicContact CD2-CD1 3.84Å; L501-I510 HydrophobicContact CG-CD1 4.35Å; I510-T516 WeakPolarHBondContact CA-O 3.45Å; I510-A517 HydrophobicContact CG1-CB 3.89Å; I510-M744 HydrophobicContact CD1-CE 3.3Å; I510-M744 HydrophobicContact CD1-SD 4.5Å; I510-M744 HydrophobicContact CG1-CE 3.77Å; I510-M744 HydrophobicContact CG1-SD 4.37Å
511	D	89.6	Confident	89.9	Confident	35 Å²	35	44.4 Å²	44.4	19%	0.187	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.2	172	-167.3	-53.8	0	0	0	109.5	L513 S514 M515 T516	D511-L513 VanDerWaalsContact C-N 3.26Å; D511-L513 PolarHBondContact O-N 3.41Å; D511-L513 WeakPolarHBondContact OD1-CB 3.36Å; D511-L513 PolarHBondContact OD1-N 3.41Å; D511-S514 VanDerWaalsContact CB-OG 3.31Å; D511-S514 WeakPolarHBondContact CB-OG 3.08Å; D511-S514 PolarHBondContact OD1-N 3.14Å; D511-M515 WeakPolarHBondContact O-CA 3.37Å; D511-M515 PolarHBondContact O-N 2.7Å; D511-T516 PolarHBondContact N-O 2.84Å
512	L	86.6	Confident	89.4	Confident	35 Å²	35	48.3 Å²	48.3	18%	0.183	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.4	-176.9	-73.4	173.2	0	0	0	113.6	P497 L499 Y720 V743	P497-L512 HydrophobicContact CB-CD1 4.13Å; P497-L512 HydrophobicContact CG-CD1 4.03Å; P497-L512 WeakPolarHBondContact O-CB 3.47Å; L499-L512 HydrophobicContact CD1-CD2 3.75Å; L499-L512 HydrophobicContact CD2-CD1 4.28Å; L499-L512 HydrophobicContact CG-CD1 4.18Å; L499-L512 HydrophobicContact CG-CD2 3.81Å; L499-L512 HydrophobicContact CG-CG 4.08Å; L512-Y720 HydrophobicContact CD1-CE1 4.47Å; L512-Y720 HydrophobicContact CD2-CE1 4.12Å; L512-V743 HydrophobicContact CD2-CG1 4.27Å
513	L	85.5	Confident	88.7	Confident	114 Å²	114	57.5 Å²	57.5	60%	0.597	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-52.5	177.5	-177	64.8	0	0	0	111.1	F496 D511 M515	F496-L513 HydrophobicContact CD2-CD2 4.49Å; F496-L513 HydrophobicContact CE1-CD2 4.47Å; F496-L513 HydrophobicContact CE2-CD2 4.39Å; F496-L513 HydrophobicContact CZ-CD2 4.38Å; D511-L513 VanDerWaalsContact C-N 3.26Å; D511-L513 PolarHBondContact O-N 3.41Å; D511-L513 WeakPolarHBondContact OD1-CB 3.36Å; D511-L513 PolarHBondContact OD1-N 3.41Å; L513-M515 VanDerWaalsContact C-N 3.34Å
514	S	86.7	Confident	88.4	Confident	65 Å²	65	58.4 Å²	58.4	46%	0.455	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.3	178.5	57.7	0	0	0	0	113.2	D511 T516	D511-S514 VanDerWaalsContact CB-OG 3.31Å; D511-S514 WeakPolarHBondContact CB-OG 3.08Å; D511-S514 PolarHBondContact OD1-N 3.14Å; S514-T516 PolarHBondContact O-N 3.33Å; S514-T516 VanDerWaalsContact O-N 3.15Å; S514-T516 PolarHBondContact OG-OG1 2.8Å
515	M	85.3	Confident	88.1	Confident	91 Å²	91	56.3 Å²	56.3	45%	0.448	30%	0.303	S	S	.	.			trans	57.2	23.4	-174	-58.4	-66	-62.9	0	0	113	D511 L513 V743	D511-M515 WeakPolarHBondContact O-CA 3.37Å; D511-M515 PolarHBondContact O-N 2.7Å; L513-M515 VanDerWaalsContact C-N 3.34Å; M515-V743 HydrophobicContact CE-CG1 3.53Å; M515-V743 WeakPolarHBondContact CE-O 3.2Å; M515-V743 HydrophobicContact SD-CG1 4.38Å
516	T	86.6	Confident	88	Confident	57 Å²	57	51.9 Å²	51.9	35%	0.35	28%	0.281	S	S	.	.			trans	-92.2	134.5	179.5	55	0	0	0	0	110.9	I510 D511 S514 H518	I510-T516 WeakPolarHBondContact CA-O 3.45Å; D511-T516 PolarHBondContact N-O 2.84Å; S514-T516 PolarHBondContact O-N 3.33Å; S514-T516 VanDerWaalsContact O-N 3.15Å; S514-T516 PolarHBondContact OG-OG1 2.8Å; T516-H518 PolarHBondContact OG1-NE2 3.5Å; T516-H518 VanDerWaalsContact OG1-NE2 3.13Å
517	A	86.4	Confident	88.1	Confident	40 Å²	40	51.7 Å²	51.7	33%	0.331	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.2	176.2	0	0	0	0	0	110.8	I510	I510-A517 HydrophobicContact CG1-CB 3.89Å
518	H	88.1	Confident	88	Confident	96 Å²	96	52.1 Å²	52.1	44%	0.444	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.5	177	-57.7	-73.2	0	0	0	109.7	R508 Q509 T516 L520	R508-H518 CarbonylContact C-O 3.38Å; R508-H518 WeakPolarHBondContact CA-O 3.41Å; Q509-H518 PolarHBondContact N-O 3.43Å; Q509-H518 PolarHBondContact O-N 2.83Å; T516-H518 PolarHBondContact OG1-NE2 3.5Å; T516-H518 VanDerWaalsContact OG1-NE2 3.13Å; H518-L520 PolarHBondContact O-N 3.14Å
519	P	87.7	Confident	88.2	Confident	73 Å²	73	48.5 Å²	48.5	47%	0.474	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.8	174.5	27.3	-31.9	0	0	0	110.7	N522	P519-N522 WeakPolarHBondContact CB-OD1 3.27Å
520	L	90.4	Very high	88.4	Confident	17 Å²	17	48 Å²	48	9%	0.089	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-43.6	172.7	-71.3	177.5	0	0	0	111.4	L500 I507 Q509 H518 L539 I560	L500-L520 HydrophobicContact CD2-CD1 3.48Å; L500-L520 VanDerWaalsContact CD2-CD1 3.48Å; I507-L520 WeakPolarHBondContact O-CB 3.44Å; I507-L520 PolarHBondContact O-N 3.2Å; Q509-L520 HydrophobicContact CB-CD1 4Å; Q509-L520 HydrophobicContact CB-CD2 4.41Å; Q509-L520 HydrophobicContact CB-CG 4.05Å; H518-L520 PolarHBondContact O-N 3.14Å; L520-L539 HydrophobicContact CD1-CD2 4.44Å; L520-I560 HydrophobicContact CB-CD1 4.24Å
521	V	89.3	Confident	88.7	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	134.1	175.8	-170.6	0	0	0	0	107.6	S506 I507 M524 I560 V563	S506-V521 CarbonylContact C-O 3.54Å; S506-V521 VanDerWaalsContact CA-O 3.27Å; S506-V521 WeakPolarHBondContact CA-O 3.35Å; S506-V521 VanDerWaalsContact CB-O 3.31Å; S506-V521 WeakPolarHBondContact CB-O 3.2Å; I507-V521 PolarHBondContact N-O 3.38Å; I507-V521 PolarHBondContact O-N 2.86Å; V521-M524 HydrophobicContact CB-CE 3.65Å; V521-M524 HydrophobicContact CB-SD 3.96Å; V521-M524 HydrophobicContact CG1-CE 3.74Å; V521-M524 HydrophobicContact CG1-CG 4.03Å; V521-M524 HydrophobicContact CG1-SD 3.5Å; V521-M524 VanDerWaalsContact CG1-SD 3.5Å; V521-M524 WeakPolarHBondContact O-CE 3.27Å; V521-I560 HydrophobicContact CG2-CD1 3.33Å; V521-V563 HydrophobicContact CG1-CG1 4.46Å
522	N	85.9	Confident	89	Confident	83 Å²	83	47.1 Å²	47.1	44%	0.444	26%	0.261	S	S	.	.			trans	-121.7	174	179.7	-68.4	-24	0	0	0	110.4	S506 P519 M524	S506-N522 WeakPolarHBondContact CB-OD1 3.18Å; P519-N522 WeakPolarHBondContact CB-OD1 3.27Å; N522-M524 VanDerWaalsContact C-N 3.3Å; N522-M524 PolarHBondContact O-N 3.45Å
523	E	80.4	Confident	89.5	Confident	194 Å²	194	45.5 Å²	45.5	91%	0.907	25%	0.253	S	S	*	.	S	Bend	trans	60.6	35.6	172.7	-58	176.3	-174.6	0	0	113.9	I505	I505-E523 PolarHBondContact O-N 3.37Å
524	M	83.1	Confident	90	Very high	25 Å²	25	42.1 Å²	42.1	12%	0.123	23%	0.232	C	C	.	.			trans	-88.6	155.6	175.2	-65.8	176.6	-75.4	0	0	111	I505 I507 V521 N522 V527	I505-M524 PolarHBondContact O-N 3.32Å; I507-M524 HydrophobicContact CB-CE 4.14Å; I507-M524 HydrophobicContact CD1-CE 3.91Å; I507-M524 HydrophobicContact CD1-SD 4.07Å; I507-M524 HydrophobicContact CG1-CE 3.65Å; I507-M524 HydrophobicContact CG1-SD 4.43Å; I507-M524 VanDerWaalsContact N-CE 3.28Å; V521-M524 HydrophobicContact CB-CE 3.65Å; V521-M524 HydrophobicContact CB-SD 3.96Å; V521-M524 HydrophobicContact CG1-CE 3.74Å; V521-M524 HydrophobicContact CG1-CG 4.03Å; V521-M524 HydrophobicContact CG1-SD 3.5Å; V521-M524 VanDerWaalsContact CG1-SD 3.5Å; V521-M524 WeakPolarHBondContact O-CE 3.27Å; N522-M524 VanDerWaalsContact C-N 3.3Å; N522-M524 PolarHBondContact O-N 3.45Å; M524-V527 HydrophobicContact CB-CG2 3.62Å; M524-V527 HydrophobicContact CE-CG2 3.81Å; M524-V527 HydrophobicContact CG-CG2 4.02Å; M524-V527 HydrophobicContact SD-CG2 3.33Å; M524-V527 WeakPolarHBondContact SD-CG2 3.27Å
525	S	82.6	Confident	90.4	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	23%	0.23	S	C	.	.	S	Bend	trans	-78.6	-52	-175.7	32.7	0	0	0	0	113	D543 T546	S525-D543 PolarHBondContact N-OD2 2.79Å; S525-D543 PolarHBondContact OG-OD1 2.98Å; S525-D543 PolarHBondContact OG-OD2 3.31Å; S525-T546 WeakPolarHBondContact OG-CG2 3.19Å
526	S	90.6	Very high	90.8	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.042	23%	0.234	C	C	.	.			trans	-165.5	84.7	171.2	-178.1	0	0	0	0	111.4	R504 D543 V544	R504-S526 PolarHBondContact NH1-OG 2.8Å; R504-S526 CarbonylContact O-C 3.52Å; R504-S526 VanDerWaalsContact O-CA 3.26Å; R504-S526 WeakPolarHBondContact O-CA 3.31Å; S526-D543 PolarHBondContact N-OD2 3.2Å; S526-D543 WeakPolarHBondContact O-CA 3.27Å; S526-V544 PolarHBondContact O-N 2.89Å; S526-V544 WeakPolarHBondContact OG-CG2 3.37Å
527	V	92.8	Very high	91.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.9	172.6	-175.6	0	0	0	0	111.6	A502 R504 I507 M524 I530 W541 S542	A502-V527 HydrophobicContact CB-CG1 3.91Å; R504-V527 WeakPolarHBondContact CA-O 3.35Å; R504-V527 PolarHBondContact N-O 3.24Å; R504-V527 PolarHBondContact O-N 3.21Å; I507-V527 HydrophobicContact CD1-CG1 4.19Å; I507-V527 HydrophobicContact CG1-CG1 4.17Å; M524-V527 HydrophobicContact CB-CG2 3.62Å; M524-V527 HydrophobicContact CE-CG2 3.81Å; M524-V527 HydrophobicContact CG-CG2 4.02Å; M524-V527 HydrophobicContact SD-CG2 3.33Å; M524-V527 WeakPolarHBondContact SD-CG2 3.27Å; V527-I530 HydrophobicContact CG1-CG2 3.86Å; V527-W541 HydrophobicContact CG1-CB 3.88Å; V527-W541 HydrophobicContact CG1-CG 4.32Å; V527-S542 VanDerWaalsContact CA-O 3.29Å; V527-S542 WeakPolarHBondContact CA-O 3.22Å
528	I	93.4	Very high	91.6	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-60.9	179.5	-58.6	-57.8	0	0	0	111.2	S542 V544 F710 M751 T752	I528-S542 PolarHBondContact N-O 2.02Å; I528-S542 VanDerWaalsContact N-O 3.14Å; I528-V544 HydrophobicContact CB-CG1 4.23Å; I528-V544 HydrophobicContact CD1-CG2 4.29Å; I528-V544 HydrophobicContact CG1-CB 4.3Å; I528-V544 HydrophobicContact CG1-CG1 3.53Å; I528-V544 HydrophobicContact CG1-CG2 3.76Å; I528-F710 HydrophobicContact CG2-CE1 4.21Å; I528-F710 HydrophobicContact CG2-CZ 3.74Å; I528-M751 HydrophobicContact CD1-CE 3.82Å; I528-M751 HydrophobicContact CD1-CG 4Å; I528-M751 HydrophobicContact CD1-SD 3.86Å; I528-M751 WeakPolarHBondContact O-CB 3.47Å; I528-T752 WeakPolarHBondContact O-CB 3.33Å; I528-T752 PolarHBondContact O-OG1 2.97Å
529	A	96.5	Very high	91.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.9	-178.4	0	0	0	0	0	111.3	W541 S542 L581	A529-W541 CarbonylContact O-C 3.58Å; A529-W541 VanDerWaalsContact O-CA 3.22Å; A529-W541 WeakPolarHBondContact O-CA 3.33Å; A529-S542 WeakPolarHBondContact CB-OG 3.37Å; A529-S542 PolarHBondContact N-OG 3.03Å; A529-S542 VanDerWaalsContact N-OG 3.09Å; A529-S542 PolarHBondContact O-N 2.91Å; A529-L581 HydrophobicContact CB-CB 3.94Å; A529-L581 HydrophobicContact CB-CD1 3.94Å; A529-L581 HydrophobicContact CB-CG 3.75Å
530	I	97	Very high	92.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.5	170.4	62.3	173	0	0	0	110.3	L500 A502 I507 V527 F540 W541 T752 K754	L500-I530 HydrophobicContact CB-CD1 3.83Å; A502-I530 HydrophobicContact CB-CD1 4.17Å; A502-I530 HydrophobicContact CB-CG1 4.41Å; A502-I530 HydrophobicContact CB-CG2 3.77Å; I507-I530 HydrophobicContact CD1-CG2 3.87Å; I507-I530 HydrophobicContact CG1-CG2 4.03Å; I507-I530 HydrophobicContact CG2-CD1 4.39Å; V527-I530 HydrophobicContact CG1-CG2 3.86Å; I530-F540 VanDerWaalsContact CA-O 3.3Å; I530-F540 WeakPolarHBondContact CA-O 3.13Å; I530-W541 HydrophobicContact CG2-CB 3.77Å; I530-T752 HydrophobicContact CG1-CG2 3.61Å; I530-K754 HydrophobicContact CG1-CG 4.23Å; I530-K754 WeakPolarHBondContact O-CE 3.24Å
531	D	97.8	Very high	92.6	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.08	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	171.5	164	-155.8	5.4	0	0	0	109.9	F540 L581 A582 V583	D531-F540 PolarHBondContact N-O 3.12Å; D531-F540 PolarHBondContact O-N 3.02Å; D531-F540 VanDerWaalsContact O-O 3.12Å; D531-L581 HydrophobicContact CB-CB 4.45Å; D531-A582 VanDerWaalsContact OD2-CA 3.27Å; D531-A582 WeakPolarHBondContact OD2-CA 3.22Å; D531-V583 HydrophobicContact CB-CB 4.38Å; D531-V583 HydrophobicContact CB-CG2 3.86Å; D531-V583 PolarHBondContact OD2-N 3.34Å
532	Y	97.2	Very high	92.9	Very high	3 Å²	3	40 Å²	40	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	163.6	-173.3	68.9	-84.1	0	0	0	112.7	L500 Y534 M538 V583 K754 V755 F756 H757 Q761	L500-Y532 HydrophobicContact CD1-CD1 3.78Å; L500-Y532 HydrophobicContact CD1-CE1 4.36Å; L500-Y532 HydrophobicContact CD1-CG 4.18Å; Y532-Y534 HydrophobicContact CE2-CD2 4.31Å; Y532-M538 CarbonylContact C-O 3.43Å; Y532-M538 VanDerWaalsContact CA-O 3.25Å; Y532-M538 WeakPolarHBondContact CA-O 3.11Å; Y532-M538 WeakPolarHBondContact CB-O 3.37Å; Y532-V583 WeakPolarHBondContact O-CG1 3.05Å; Y532-K754 HydrophobicContact CE1-CB 4.29Å; Y532-V755 WeakPolarHBondContact CE1-O 3.32Å; Y532-V755 PolarHBondContact OH-O 3.4Å; Y532-F756 HydrophobicContact CD1-CD2 4.05Å; Y532-F756 AromaticContact CD2-CD2 3.6Å; Y532-F756 HydrophobicContact CD2-CD2 3.6Å; Y532-F756 AromaticContact CD2-CE2 3.44Å; Y532-F756 HydrophobicContact CD2-CE2 3.44Å; Y532-F756 VanDerWaalsContact CD2-CE2 3.44Å; Y532-F756 AromaticContact CE1-CD2 3.94Å; Y532-F756 HydrophobicContact CE1-CD2 3.94Å; Y532-F756 AromaticContact CE2-CD2 3.48Å; Y532-F756 HydrophobicContact CE2-CD2 3.48Å; Y532-F756 VanDerWaalsContact CE2-CD2 3.48Å; Y532-F756 AromaticContact CE2-CE2 3.64Å; Y532-F756 HydrophobicContact CE2-CE2 3.64Å; Y532-F756 HydrophobicContact CE2-CG 4.44Å; Y532-F756 AromaticContact CG-CD2 3.9Å; Y532-F756 HydrophobicContact CG-CD2 3.9Å; Y532-F756 AromaticContact CG-CE2 3.96Å; Y532-F756 HydrophobicContact CG-CE2 3.96Å; Y532-F756 AromaticContact CZ-CD2 3.67Å; Y532-F756 WeakPolarHBondContact OH-CA 3.46Å; Y532-H757 PolarHBondContact OH-N 2.62Å; Y532-Q761 PolarHBondContact O-NE2 2.7Å
533	S	97.1	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.3	164.1	178.5	0	0	0	0	109	R536 R537 M538	S533-R536 WeakPolarHBondContact OG-CB 3.27Å; S533-R536 PolarHBondContact OG-N 2.96Å; S533-R537 WeakPolarHBondContact O-CA 3.43Å; S533-R537 PolarHBondContact O-N 2.95Å; S533-M538 PolarHBondContact N-O 2.86Å; S533-M538 PolarHBondContact O-N 3.08Å; S533-M538 VanDerWaalsContact O-N 3.1Å
534	Y	95.4	Very high	93.7	Very high	44 Å²	44	28.5 Å²	28.5	17%	0.173	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-43.9	178.8	-166.5	-90.9	0	0	0	111.2	Y532 R537 Y558 F756 P758	Y532-Y534 HydrophobicContact CE2-CD2 4.31Å; Y534-R537 PolarHBondContact O-N 3.34Å; Y534-Y558 HydrophobicContact CD2-CE1 4.16Å; Y534-Y558 HydrophobicContact CE1-CE2 4.5Å; Y534-Y558 AromaticContact CE1-CZ 3.82Å; Y534-Y558 WeakPolarHBondContact CE1-OH 3.15Å; Y534-Y558 HydrophobicContact CE2-CE1 4.07Å; Y534-Y558 HydrophobicContact CE2-CE2 4.16Å; Y534-Y558 AromaticContact CE2-CZ 3.75Å; Y534-Y558 HydrophobicContact CG-CE1 4.45Å; Y534-Y558 AromaticContact CZ-CE2 3.87Å; Y534-Y558 AromaticContact CZ-CZ 3.52Å; Y534-Y558 PolarHBondContact O-OH 3.02Å; Y534-F756 HydrophobicContact CD2-CE1 4.11Å; Y534-F756 HydrophobicContact CD2-CE2 4.22Å; Y534-F756 AromaticContact CD2-CZ 3.83Å; Y534-F756 HydrophobicContact CD2-CZ 3.83Å; Y534-F756 HydrophobicContact CE2-CD1 4.49Å; Y534-F756 AromaticContact CE2-CE1 3.83Å; Y534-F756 HydrophobicContact CE2-CE1 3.83Å; Y534-F756 AromaticContact CE2-CZ 3.98Å; Y534-F756 HydrophobicContact CE2-CZ 3.98Å; Y534-P758 HydrophobicContact CD1-CB 3.79Å; Y534-P758 HydrophobicContact CE1-CB 3.59Å; Y534-P758 HydrophobicContact CE1-CG 4.01Å; Y534-P758 HydrophobicContact CE2-CB 4.44Å; Y534-P758 HydrophobicContact CE2-CG 4.42Å; Y534-P758 HydrophobicContact CG-CB 4.31Å
535	R	93.9	Very high	94.1	Very high	107 Å²	107	32 Å²	32	40%	0.404	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-44.5	-177.7	-172.6	-169	-71.6	171.9	-9.5	112.1	R537 D763	R535-R537 VanDerWaalsContact C-N 3.34Å; R535-D763 IonicContact CZ-OD1 3.56Å; R535-D763 VanDerWaalsContact CZ-OD1 3.31Å; R535-D763 IonicContact NE-OD1 3.08Å; R535-D763 PolarHBondContact NE-OD1 2.86Å; R535-D763 VanDerWaalsContact NE-OD1 3.15Å; R535-D763 IonicContact NH2-OD1 3.28Å; R535-D763 PolarHBondContact NH2-OD1 3.27Å
536	R	94.4	Very high	94.4	Very high	140 Å²	140	31.4 Å²	31.4	53%	0.528	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8	179.1	-62.8	-64.5	-169.3	-177.5	-0.9	113.4	S533 M538 D588 F605	S533-R536 WeakPolarHBondContact OG-CB 3.27Å; S533-R536 PolarHBondContact OG-N 2.96Å; R536-M538 HydrophobicContact CB-CG 3.99Å; R536-D588 WeakPolarHBondContact CG-OD1 3.45Å; R536-D588 IonicContact CZ-OD1 3.4Å; R536-D588 IonicContact CZ-OD2 3.72Å; R536-D588 IonicContact NE-OD1 2.66Å; R536-D588 PolarHBondContact NE-OD1 2.82Å; R536-D588 IonicContact NE-OD2 3.31Å; R536-D588 PolarHBondContact NE-OD2 2.77Å; R536-D588 IonicContact NH2-OD1 3.92Å; R536-D588 IonicContact NH2-OD2 2.74Å; R536-D588 PolarHBondContact NH2-OD2 3.39Å; R536-F605 HydrophobicContact CB-CE2 4.4Å; R536-F605 HydrophobicContact CG-CD2 4.44Å; R536-F605 HydrophobicContact CG-CE2 3.97Å
537	R	94.8	Very high	94.6	Very high	108 Å²	108	35.6 Å²	35.6	41%	0.408	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	53.2	-173.9	-48.4	-173	-159.1	159.4	3.1	111.3	S533 Y534 R535 P553 M554 D555 Y558	S533-R537 WeakPolarHBondContact O-CA 3.43Å; S533-R537 PolarHBondContact O-N 2.95Å; Y534-R537 PolarHBondContact O-N 3.34Å; R535-R537 VanDerWaalsContact C-N 3.34Å; R537-P553 CarbonylContact O-C 3.53Å; R537-M554 HydrophobicContact CB-CB 4.17Å; R537-M554 PolarHBondContact O-N 3.4Å; R537-D555 WeakPolarHBondContact CD-O 3.26Å; R537-Y558 HydrophobicContact CB-CE1 4.33Å; R537-Y558 HydrophobicContact CG-CD1 4.39Å; R537-Y558 HydrophobicContact CG-CE1 3.78Å
538	M	94.5	Very high	94.6	Very high	37 Å²	37	38.9 Å²	38.9	18%	0.182	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.3	179.9	-67.8	-68.3	-64	0	0	109.9	Y532 S533 R536 F540 C552 P553	Y532-M538 CarbonylContact C-O 3.43Å; Y532-M538 VanDerWaalsContact CA-O 3.25Å; Y532-M538 WeakPolarHBondContact CA-O 3.11Å; Y532-M538 WeakPolarHBondContact CB-O 3.37Å; S533-M538 PolarHBondContact N-O 2.86Å; S533-M538 PolarHBondContact O-N 3.08Å; S533-M538 VanDerWaalsContact O-N 3.1Å; R536-M538 HydrophobicContact CB-CG 3.99Å; M538-F540 HydrophobicContact CB-CD2 4.38Å; M538-F540 HydrophobicContact CB-CE2 3.53Å; M538-F540 HydrophobicContact CB-CZ 3.69Å; M538-F540 HydrophobicContact CE-CE1 4.33Å; M538-F540 HydrophobicContact CE-CZ 4.23Å; M538-F540 HydrophobicContact CG-CZ 4.34Å; M538-C552 WeakPolarHBondContact CA-O 3.48Å; M538-P553 VanDerWaalsContact SD-CA 3.57Å; M538-P553 HydrophobicContact SD-CB 3.91Å
539	L	95.5	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.1	170.9	177.3	66.8	0	0	0	108.6	L500 I507 L520 W541 G551 C552 M554 I560	L500-L539 HydrophobicContact CD1-CD1 4.1Å; I507-L539 HydrophobicContact CD1-CD2 4.28Å; I507-L539 HydrophobicContact CG2-CD2 4.21Å; L520-L539 HydrophobicContact CD1-CD2 4.44Å; L539-W541 HydrophobicContact CD2-CE3 4.46Å; L539-W541 HydrophobicContact CG-CE3 4.25Å; L539-G551 CarbonylContact O-C 3.51Å; L539-G551 WeakPolarHBondContact O-CA 3.45Å; L539-C552 PolarHBondContact N-O 3.5Å; L539-C552 PolarHBondContact O-N 2.71Å; L539-M554 HydrophobicContact CB-CE 4.41Å; L539-M554 HydrophobicContact CB-CG 4.4Å; L539-M554 HydrophobicContact CB-SD 4.31Å; L539-I560 HydrophobicContact CD2-CD1 4Å
540	F	96.4	Very high	94.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.5	178.1	-58.3	-89	0	0	0	110.1	I530 D531 M538 Y550 I570 V583 I590 F605	I530-F540 VanDerWaalsContact CA-O 3.3Å; I530-F540 WeakPolarHBondContact CA-O 3.13Å; D531-F540 PolarHBondContact N-O 3.12Å; D531-F540 PolarHBondContact O-N 3.02Å; D531-F540 VanDerWaalsContact O-O 3.12Å; M538-F540 HydrophobicContact CB-CD2 4.38Å; M538-F540 HydrophobicContact CB-CE2 3.53Å; M538-F540 HydrophobicContact CB-CZ 3.69Å; M538-F540 HydrophobicContact CE-CE1 4.33Å; M538-F540 HydrophobicContact CE-CZ 4.23Å; M538-F540 HydrophobicContact CG-CZ 4.34Å; F540-Y550 WeakPolarHBondContact CA-O 3.5Å; F540-I570 HydrophobicContact CD1-CD1 3.55Å; F540-I570 HydrophobicContact CE1-CD1 3.46Å; F540-I570 VanDerWaalsContact CE1-CD1 3.46Å; F540-V583 HydrophobicContact CD2-CG2 3.6Å; F540-V583 HydrophobicContact CE2-CG2 4.01Å; F540-V583 HydrophobicContact CG-CG2 4.31Å; F540-I590 HydrophobicContact CB-CD1 3.88Å; F540-I590 HydrophobicContact CD1-CD1 3.69Å; F540-I590 HydrophobicContact CE1-CD1 4.39Å; F540-I590 HydrophobicContact CG-CD1 3.83Å; F540-F605 HydrophobicContact CE1-CB 4.38Å; F540-F605 HydrophobicContact CE1-CD1 4.32Å; F540-F605 HydrophobicContact CE1-CG 4.39Å; F540-F605 HydrophobicContact CE2-CD1 4.3Å; F540-F605 HydrophobicContact CE2-CE1 4.22Å; F540-F605 HydrophobicContact CE2-CZ 4.39Å; F540-F605 HydrophobicContact CZ-CB 4.06Å; F540-F605 AromaticContact CZ-CD1 3.7Å; F540-F605 HydrophobicContact CZ-CD1 3.7Å; F540-F605 HydrophobicContact CZ-CD2 4.06Å; F540-F605 HydrophobicContact CZ-CE1 4.08Å; F540-F605 HydrophobicContact CZ-CE2 4.43Å; F540-F605 AromaticContact CZ-CG 3.69Å; F540-F605 HydrophobicContact CZ-CG 3.69Å; F540-F605 HydrophobicContact CZ-CZ 4.44Å
541	W	96.1	Very high	94.5	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.038	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.6	175.9	69.1	95.4	0	0	0	112.3	I507 V527 A529 I530 L539 I549 Y550 C552 C566 L581	I507-W541 HydrophobicContact CD1-CB 3.78Å; I507-W541 HydrophobicContact CD1-CD2 3.98Å; I507-W541 HydrophobicContact CD1-CE3 4.24Å; I507-W541 HydrophobicContact CD1-CG 3.8Å; V527-W541 HydrophobicContact CG1-CB 3.88Å; V527-W541 HydrophobicContact CG1-CG 4.32Å; A529-W541 CarbonylContact O-C 3.58Å; A529-W541 VanDerWaalsContact O-CA 3.22Å; A529-W541 WeakPolarHBondContact O-CA 3.33Å; I530-W541 HydrophobicContact CG2-CB 3.77Å; L539-W541 HydrophobicContact CD2-CE3 4.46Å; L539-W541 HydrophobicContact CG-CE3 4.25Å; W541-I549 WeakPolarHBondContact O-CA 3.3Å; W541-Y550 AromaticContact CE2-CG 3.82Å; W541-Y550 HydrophobicContact CZ2-CD1 4.26Å; W541-Y550 HydrophobicContact CZ2-CD2 4.36Å; W541-Y550 AromaticContact CZ2-CG 3.73Å; W541-Y550 HydrophobicContact CZ2-CG 3.73Å; W541-Y550 PolarHBondContact N-O 3.29Å; W541-Y550 VanDerWaalsContact N-O 3.09Å; W541-Y550 AromaticContact NE1-CD2 3.51Å; W541-Y550 AromaticContact NE1-CG 3.78Å; W541-Y550 PolarHBondContact O-N 3.18Å; W541-C552 HydrophobicContact CH2-CB 3.76Å; W541-C552 HydrophobicContact CZ3-CB 3.61Å; W541-C566 HydrophobicContact CH2-CB 3.68Å; W541-C566 HydrophobicContact CZ2-CB 4.23Å; W541-L581 VanDerWaalsContact C-CD1 3.49Å
542	S	95.5	Very high	94.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.2	175	72.7	0	0	0	0	110.1	V527 I528 A529 P578	V527-S542 VanDerWaalsContact CA-O 3.29Å; V527-S542 WeakPolarHBondContact CA-O 3.22Å; I528-S542 PolarHBondContact N-O 2.02Å; I528-S542 VanDerWaalsContact N-O 3.14Å; A529-S542 WeakPolarHBondContact CB-OG 3.37Å; A529-S542 PolarHBondContact N-OG 3.03Å; A529-S542 VanDerWaalsContact N-OG 3.09Å; A529-S542 PolarHBondContact O-N 2.91Å; S542-P578 VanDerWaalsContact CB-O 3.24Å; S542-P578 WeakPolarHBondContact CB-O 3.42Å; S542-P578 PolarHBondContact OG-O 2.86Å
543	D	92.4	Very high	94.1	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.6	174.5	-174.6	-63	0	0	0	109.1	S525 S526 V545 T546 E547 K548 Y550	S525-D543 PolarHBondContact N-OD2 2.79Å; S525-D543 PolarHBondContact OG-OD1 2.98Å; S525-D543 PolarHBondContact OG-OD2 3.31Å; S526-D543 PolarHBondContact N-OD2 3.2Å; S526-D543 WeakPolarHBondContact O-CA 3.27Å; D543-V545 PolarHBondContact OD1-N 3.36Å; D543-T546 WeakPolarHBondContact CB-OG1 3.06Å; D543-T546 PolarHBondContact OD1-N 2.8Å; D543-T546 PolarHBondContact OD1-OG1 3.05Å; D543-E547 PolarHBondContact O-N 3.24Å; D543-E547 VanDerWaalsContact O-N 3.12Å; D543-K548 PolarHBondContact N-O 2.78Å; D543-K548 PolarHBondContact O-N 2.03Å; D543-K548 VanDerWaalsContact O-N 3.15Å; D543-Y550 HydrophobicContact CB-CD2 4.44Å; D543-Y550 HydrophobicContact CB-CE2 3.99Å
544	V	90.9	Very high	93.8	Very high	30 Å²	30	42.6 Å²	42.6	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18	-173.3	-63.8	0	0	0	0	113.4	S526 I528	S526-V544 PolarHBondContact O-N 2.89Å; S526-V544 WeakPolarHBondContact OG-CG2 3.37Å; I528-V544 HydrophobicContact CB-CG1 4.23Å; I528-V544 HydrophobicContact CD1-CG2 4.29Å; I528-V544 HydrophobicContact CG1-CB 4.3Å; I528-V544 HydrophobicContact CG1-CG1 3.53Å; I528-V544 HydrophobicContact CG1-CG2 3.76Å
545	V	90.3	Very high	93.7	Very high	100 Å²	100	42.8 Å²	42.8	61%	0.606	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-39.7	177.3	169.6	0	0	0	0	110	D543 E547	D543-V545 PolarHBondContact OD1-N 3.36Å; V545-E547 VanDerWaalsContact C-N 3.3Å
546	T	90.4	Very high	93.5	Very high	45 Å²	45	41 Å²	41	28%	0.276	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.3	176.2	63.9	0	0	0	0	113.9	S525 D543 K548 Y550	S525-T546 WeakPolarHBondContact OG-CG2 3.19Å; D543-T546 WeakPolarHBondContact CB-OG1 3.06Å; D543-T546 PolarHBondContact OD1-N 2.8Å; D543-T546 PolarHBondContact OD1-OG1 3.05Å; T546-K548 WeakPolarHBondContact O-CD 3.45Å; T546-K548 VanDerWaalsContact O-CG 3.26Å; T546-K548 WeakPolarHBondContact O-CG 3.16Å; T546-K548 PolarHBondContact O-N 3.24Å; T546-Y550 PolarHBondContact OG1-OH 3.42Å
547	E	93.7	Very high	93.2	Very high	95 Å²	95	40.1 Å²	40.1	44%	0.444	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	41.4	-177.5	-55.4	-170.6	149.6	0	0	112.7	D543 V545	D543-E547 PolarHBondContact O-N 3.24Å; D543-E547 VanDerWaalsContact O-N 3.12Å; V545-E547 VanDerWaalsContact C-N 3.3Å
548	K	93.8	Very high	93	Very high	69 Å²	69	37 Å²	37	30%	0.3	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155	-170.6	-79.5	162.6	-167.7	178.6	0	112.5	D543 T546 Y550 P569 V571	D543-K548 PolarHBondContact N-O 2.78Å; D543-K548 PolarHBondContact O-N 2.03Å; D543-K548 VanDerWaalsContact O-N 3.15Å; T546-K548 WeakPolarHBondContact O-CD 3.45Å; T546-K548 VanDerWaalsContact O-CG 3.26Å; T546-K548 WeakPolarHBondContact O-CG 3.16Å; T546-K548 PolarHBondContact O-N 3.24Å; K548-Y550 HydrophobicContact CB-CD2 4.29Å; K548-Y550 HydrophobicContact CB-CE2 3.6Å; K548-Y550 WeakPolarHBondContact CD-OH 3.38Å; K548-P569 HydrophobicContact CB-CB 4.18Å; K548-P569 HydrophobicContact CD-CB 4.02Å; K548-P569 HydrophobicContact CD-CG 4.15Å; K548-P569 HydrophobicContact CG-CB 4.06Å; K548-V571 WeakPolarHBondContact CA-O 3.12Å
549	I	95.6	Very high	92.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128	168.4	-57.1	169.7	0	0	0	108	W541 I570 V571 V575 P578 L581 I590 W592	W541-I549 WeakPolarHBondContact O-CA 3.3Å; I549-I570 PolarHBondContact O-N 3.34Å; I549-V571 HydrophobicContact CB-CB 4.15Å; I549-V571 HydrophobicContact CB-CG2 4.43Å; I549-V571 HydrophobicContact CD1-CB 4.37Å; I549-V571 HydrophobicContact CD1-CG2 4.46Å; I549-V571 PolarHBondContact N-O 3.43Å; I549-V571 PolarHBondContact O-N 3.12Å; I549-V571 VanDerWaalsContact O-N 3.13Å; I549-V575 HydrophobicContact CD1-CG2 4.42Å; I549-V575 HydrophobicContact CG1-CG1 4.46Å; I549-P578 HydrophobicContact CD1-CB 4.36Å; I549-P578 HydrophobicContact CG1-CB 4.27Å; I549-P578 HydrophobicContact CG1-CG 4.41Å; I549-L581 HydrophobicContact CD1-CD2 4.13Å; I549-L581 HydrophobicContact CG2-CD1 4.48Å; I549-L581 HydrophobicContact CG2-CD2 4.12Å; I549-I590 HydrophobicContact CG2-CD1 4.11Å; I549-W592 HydrophobicContact CD1-CB 4.13Å; I549-W592 HydrophobicContact CD1-CD2 3.66Å; I549-W592 HydrophobicContact CD1-CE3 4.16Å; I549-W592 HydrophobicContact CD1-CG 3.66Å
550	Y	94.9	Very high	92.5	Very high	30 Å²	30	39 Å²	39	12%	0.118	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	161.7	-179.8	-61.6	-94.6	0	0	0	110.3	F540 W541 D543 T546 K548 C566 P569	F540-Y550 WeakPolarHBondContact CA-O 3.5Å; W541-Y550 AromaticContact CE2-CG 3.82Å; W541-Y550 HydrophobicContact CZ2-CD1 4.26Å; W541-Y550 HydrophobicContact CZ2-CD2 4.36Å; W541-Y550 AromaticContact CZ2-CG 3.73Å; W541-Y550 HydrophobicContact CZ2-CG 3.73Å; W541-Y550 PolarHBondContact N-O 3.29Å; W541-Y550 VanDerWaalsContact N-O 3.09Å; W541-Y550 AromaticContact NE1-CD2 3.51Å; W541-Y550 AromaticContact NE1-CG 3.78Å; W541-Y550 PolarHBondContact O-N 3.18Å; D543-Y550 HydrophobicContact CB-CD2 4.44Å; D543-Y550 HydrophobicContact CB-CE2 3.99Å; T546-Y550 PolarHBondContact OG1-OH 3.42Å; K548-Y550 HydrophobicContact CB-CD2 4.29Å; K548-Y550 HydrophobicContact CB-CE2 3.6Å; K548-Y550 WeakPolarHBondContact CD-OH 3.38Å; Y550-C566 WeakPolarHBondContact CD1-O 3.19Å; Y550-P569 HydrophobicContact CD1-CB 4.14Å; Y550-P569 HydrophobicContact CE1-CB 3.98Å
551	G	93.3	Very high	91.5	Very high	9 Å²	9	43.3 Å²	43.3	9%	0.093	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.9	164.6	0	0	0	0	0	111	L539 I570	L539-G551 CarbonylContact O-C 3.51Å; L539-G551 WeakPolarHBondContact O-CA 3.45Å; G551-I570 VanDerWaalsContact N-CD1 3.25Å
552	C	93.3	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.5	-171.9	-158.8	0	0	0	0	111.1	M538 L539 W541 I560 C566	M538-C552 WeakPolarHBondContact CA-O 3.48Å; L539-C552 PolarHBondContact N-O 3.5Å; L539-C552 PolarHBondContact O-N 2.71Å; W541-C552 HydrophobicContact CH2-CB 3.76Å; W541-C552 HydrophobicContact CZ3-CB 3.61Å; C552-I560 HydrophobicContact CB-CD1 4.44Å; C552-C566 HydrophobicContact CB-CB 3.73Å; C552-C566 WeakPolarHBondContact CB-SG 3.32Å; C552-C566 WeakPolarHBondContact SG-CA 3.29Å; C552-C566 WeakPolarHBondContact SG-CB 3.48Å; C552-C566 CovalentContact SG-SG 2.03Å; C552-C566 PolarHBondContact SG-SG 3.11Å
553	P	93	Very high	90.1	Very high	54 Å²	54	49.4 Å²	49.4	35%	0.351	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	140.4	170.1	29	-33.9	0	0	0	111	R537 M538	R537-P553 CarbonylContact O-C 3.53Å; M538-P553 VanDerWaalsContact SD-CA 3.57Å; M538-P553 HydrophobicContact SD-CB 3.91Å
554	M	92.5	Very high	89.5	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.059	32%	0.315	C	S	.	.			trans	-102.7	148.4	170.9	-62	-179.2	-80.3	0	0	109.7	R537 L539 Y558 T559 I560 F756	R537-M554 HydrophobicContact CB-CB 4.17Å; R537-M554 PolarHBondContact O-N 3.4Å; L539-M554 HydrophobicContact CB-CE 4.41Å; L539-M554 HydrophobicContact CB-CG 4.4Å; L539-M554 HydrophobicContact CB-SD 4.31Å; M554-Y558 HydrophobicContact CE-CD1 4.2Å; M554-Y558 HydrophobicContact SD-CD1 4.37Å; M554-T559 WeakPolarHBondContact CA-O 3.32Å; M554-I560 HydrophobicContact CG-CG1 4.34Å; M554-F756 HydrophobicContact CE-CE2 4.19Å; M554-F756 HydrophobicContact CE-CZ 4.41Å
555	D	91.8	Very high	88.9	Confident	49 Å²	49	57.5 Å²	57.5	26%	0.262	33%	0.332	S	S	.	.			trans	-73.9	-171.3	178	74.3	3.1	0	0	0	112.7	R537 N557 Y558 T559	R537-D555 WeakPolarHBondContact CD-O 3.26Å; D555-N557 PolarHBondContact O-N 2.76Å; D555-N557 VanDerWaalsContact OD1-C 3.28Å; D555-N557 WeakPolarHBondContact OD1-CA 3.16Å; D555-N557 PolarHBondContact OD1-N 2.66Å; D555-Y558 PolarHBondContact O-N 2.69Å; D555-Y558 PolarHBondContact OD1-N 2.86Å; D555-T559 VanDerWaalsContact CG-O 3.3Å; D555-T559 VanDerWaalsContact CG-OG1 3.29Å; D555-T559 PolarHBondContact N-O 2.84Å; D555-T559 PolarHBondContact OD1-N 2.62Å; D555-T559 PolarHBondContact OD1-OG1 3.13Å; D555-T559 PolarHBondContact OD2-OG1 2.99Å
556	A	89.9	Confident	88.6	Confident	68 Å²	68	52.9 Å²	52.9	56%	0.562	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.6	177.9	0	0	0	0	0	114.3
557	N	89.1	Confident	88.1	Confident	123 Å²	123	56.5 Å²	56.5	66%	0.658	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	7.8	178.3	-69	-20.6	0	0	0	112.4	D555 T559	D555-N557 PolarHBondContact O-N 2.76Å; D555-N557 VanDerWaalsContact OD1-C 3.28Å; D555-N557 WeakPolarHBondContact OD1-CA 3.16Å; D555-N557 PolarHBondContact OD1-N 2.66Å; N557-T559 HydrophobicContact CB-CG2 4.4Å; N557-T559 PolarHBondContact O-N 3.37Å
558	Y	90.6	Very high	87.7	Confident	41 Å²	41	59.9 Å²	59.9	16%	0.161	33%	0.334	C	S	.	.	S	Bend	trans	59.3	35	-175.3	-59.8	-82.6	0	0	0	113.3	Y534 R537 M554 D555 F756	Y534-Y558 HydrophobicContact CD2-CE1 4.16Å; Y534-Y558 HydrophobicContact CE1-CE2 4.5Å; Y534-Y558 AromaticContact CE1-CZ 3.82Å; Y534-Y558 WeakPolarHBondContact CE1-OH 3.15Å; Y534-Y558 HydrophobicContact CE2-CE1 4.07Å; Y534-Y558 HydrophobicContact CE2-CE2 4.16Å; Y534-Y558 AromaticContact CE2-CZ 3.75Å; Y534-Y558 HydrophobicContact CG-CE1 4.45Å; Y534-Y558 AromaticContact CZ-CE2 3.87Å; Y534-Y558 AromaticContact CZ-CZ 3.52Å; Y534-Y558 PolarHBondContact O-OH 3.02Å; R537-Y558 HydrophobicContact CB-CE1 4.33Å; R537-Y558 HydrophobicContact CG-CD1 4.39Å; R537-Y558 HydrophobicContact CG-CE1 3.78Å; M554-Y558 HydrophobicContact CE-CD1 4.2Å; M554-Y558 HydrophobicContact SD-CD1 4.37Å; D555-Y558 PolarHBondContact O-N 2.69Å; D555-Y558 PolarHBondContact OD1-N 2.86Å; Y558-F756 HydrophobicContact CD1-CE1 4.08Å; Y558-F756 AromaticContact CD1-CZ 3.45Å; Y558-F756 HydrophobicContact CD1-CZ 3.45Å; Y558-F756 VanDerWaalsContact CD1-CZ 3.45Å; Y558-F756 HydrophobicContact CD2-CE1 4.4Å; Y558-F756 AromaticContact CE1-CZ 3.99Å; Y558-F756 HydrophobicContact CE1-CZ 3.99Å; Y558-F756 AromaticContact CG-CE1 3.9Å; Y558-F756 HydrophobicContact CG-CE1 3.9Å; Y558-F756 AromaticContact CG-CZ 3.73Å; Y558-F756 HydrophobicContact CG-CZ 3.73Å
559	T	90.8	Very high	87.6	Confident	60 Å²	60	58.4 Å²	58.4	37%	0.368	33%	0.332	S	S	.	.			trans	-111.2	163.7	169.9	74.4	0	0	0	0	110.4	M554 D555 N557	M554-T559 WeakPolarHBondContact CA-O 3.32Å; D555-T559 VanDerWaalsContact CG-O 3.3Å; D555-T559 VanDerWaalsContact CG-OG1 3.29Å; D555-T559 PolarHBondContact N-O 2.84Å; D555-T559 PolarHBondContact OD1-N 2.62Å; D555-T559 PolarHBondContact OD1-OG1 3.13Å; D555-T559 PolarHBondContact OD2-OG1 2.99Å; N557-T559 HydrophobicContact CB-CG2 4.4Å; N557-T559 PolarHBondContact O-N 3.37Å
560	I	87.8	Confident	87.5	Confident	21 Å²	21	59.9 Å²	59.9	11%	0.108	34%	0.339	C	S	.	.			trans	-100.9	100.6	178.1	-65.7	173.3	0	0	0	107.5	L520 V521 L539 C552 M554 V563 C566	L520-I560 HydrophobicContact CB-CD1 4.24Å; V521-I560 HydrophobicContact CG2-CD1 3.33Å; L539-I560 HydrophobicContact CD2-CD1 4Å; C552-I560 HydrophobicContact CB-CD1 4.44Å; M554-I560 HydrophobicContact CG-CG1 4.34Å; I560-V563 HydrophobicContact CG2-CG2 4.12Å; I560-C566 WeakPolarHBondContact CG2-SG 3.48Å
561	A	76.2	Confident	87.4	Confident	89 Å²	89	58.9 Å²	58.9	74%	0.736	34%	0.337	S	S	*	.	S	Bend	trans	-72.7	-33.9	-178.9	0	0	0	0	0	112.5
562	N	80.7	Confident	87.1	Confident	70 Å²	70	61.3 Å²	61.3	37%	0.374	35%	0.352	S	S	.	.			trans	-132.1	95	-176.4	-171.8	7.7	0	0	0	111.7	T564 E565	N562-T564 VanDerWaalsContact CG-OG1 3.22Å; N562-T564 PolarHBondContact ND2-OG1 3.47Å; N562-T564 PolarHBondContact O-N 3.06Å; N562-T564 VanDerWaalsContact O-N 3.15Å; N562-T564 WeakPolarHBondContact OD1-CB 3.29Å; N562-T564 PolarHBondContact OD1-N 3.36Å; N562-T564 PolarHBondContact OD1-OG1 2.87Å; N562-E565 PolarHBondContact O-N 2.89Å
563	V	80.4	Confident	86.9	Confident	69 Å²	69	66.8 Å²	66.8	42%	0.418	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.7	179.7	-174.7	0	0	0	0	112	V521 I560 E565 C566	V521-V563 HydrophobicContact CG1-CG1 4.46Å; I560-V563 HydrophobicContact CG2-CG2 4.12Å; V563-E565 VanDerWaalsContact C-N 3.26Å; V563-E565 PolarHBondContact O-N 3.28Å; V563-C566 WeakPolarHBondContact O-CB 3.4Å; V563-C566 PolarHBondContact O-N 3.49Å
564	T	80.9	Confident	86.5	Confident	89 Å²	89	70.4 Å²	70.4	55%	0.546	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-65.2	-29.4	179.5	64.6	0	0	0	0	113.2	N562 C566 L567	N562-T564 VanDerWaalsContact CG-OG1 3.22Å; N562-T564 PolarHBondContact ND2-OG1 3.47Å; N562-T564 PolarHBondContact O-N 3.06Å; N562-T564 VanDerWaalsContact O-N 3.15Å; N562-T564 WeakPolarHBondContact OD1-CB 3.29Å; N562-T564 PolarHBondContact OD1-N 3.36Å; N562-T564 PolarHBondContact OD1-OG1 2.87Å; T564-C566 PolarHBondContact O-N 2.74Å; T564-L567 WeakPolarHBondContact O-CB 3.38Å; T564-L567 PolarHBondContact O-N 3.01Å
565	E	78.4	Confident	86.3	Confident	114 Å²	114	70.1 Å²	70.1	53%	0.533	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-69.7	-26.2	174.9	-69.9	-179.4	-160.9	0	0	112	N562 V563 L567	N562-E565 PolarHBondContact O-N 2.89Å; V563-E565 VanDerWaalsContact C-N 3.26Å; V563-E565 PolarHBondContact O-N 3.28Å; E565-L567 PolarHBondContact O-N 3.12Å
566	C	84.3	Confident	86.3	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.02	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-69.8	-16.3	176.2	-55.2	0	0	0	0	113.1	W541 Y550 C552 I560 V563 T564 K568	W541-C566 HydrophobicContact CH2-CB 3.68Å; W541-C566 HydrophobicContact CZ2-CB 4.23Å; Y550-C566 WeakPolarHBondContact CD1-O 3.19Å; C552-C566 HydrophobicContact CB-CB 3.73Å; C552-C566 WeakPolarHBondContact CB-SG 3.32Å; C552-C566 WeakPolarHBondContact SG-CA 3.29Å; C552-C566 WeakPolarHBondContact SG-CB 3.48Å; C552-C566 CovalentContact SG-SG 2.03Å; C552-C566 PolarHBondContact SG-SG 3.11Å; I560-C566 WeakPolarHBondContact CG2-SG 3.48Å; V563-C566 WeakPolarHBondContact O-CB 3.4Å; V563-C566 PolarHBondContact O-N 3.49Å; T564-C566 PolarHBondContact O-N 2.74Å; C566-K568 VanDerWaalsContact C-N 3.27Å; C566-K568 PolarHBondContact O-N 3.24Å
567	L	79.9	Confident	86.3	Confident	121 Å²	121	67.5 Å²	67.5	63%	0.634	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-75.1	-13.1	-173.7	-62	176.6	0	0	0	113.8	T564 E565 P569	T564-L567 WeakPolarHBondContact O-CB 3.38Å; T564-L567 PolarHBondContact O-N 3.01Å; E565-L567 PolarHBondContact O-N 3.12Å; L567-P569 WeakPolarHBondContact O-CD 3.37Å
568	K	85.5	Confident	86.6	Confident	166 Å²	166	61.6 Å²	61.6	72%	0.722	34%	0.344	S	S	*	.	S	Bend	trans	-85.6	115	179.9	-172.7	-178.9	175.8	-171.9	0	110.1	C566	C566-K568 VanDerWaalsContact C-N 3.27Å; C566-K568 PolarHBondContact O-N 3.24Å
569	P	91.2	Very high	86.7	Confident	39 Å²	39	60.8 Å²	60.8	25%	0.253	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.3	175.7	29.3	-34.8	0	0	0	110.6	K548 Y550 L567	K548-P569 HydrophobicContact CB-CB 4.18Å; K548-P569 HydrophobicContact CD-CB 4.02Å; K548-P569 HydrophobicContact CD-CG 4.15Å; K548-P569 HydrophobicContact CG-CB 4.06Å; Y550-P569 HydrophobicContact CD1-CB 4.14Å; Y550-P569 HydrophobicContact CE1-CB 3.98Å; L567-P569 WeakPolarHBondContact O-CD 3.37Å
570	I	92.9	Very high	87	Confident	30 Å²	30	58.1 Å²	58.1	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-42.8	172.5	-67.1	175.5	0	0	0	109.3	F540 I549 G551 F605 G607	F540-I570 HydrophobicContact CD1-CD1 3.55Å; F540-I570 HydrophobicContact CE1-CD1 3.46Å; F540-I570 VanDerWaalsContact CE1-CD1 3.46Å; I549-I570 PolarHBondContact O-N 3.34Å; G551-I570 VanDerWaalsContact N-CD1 3.25Å; I570-F605 WeakPolarHBondContact CD1-O 3.39Å; I570-G607 VanDerWaalsContact CG2-N 3.26Å; I570-G607 WeakPolarHBondContact O-CA 3.12Å
571	V	92.5	Very high	87.5	Confident	10 Å²	10	57.4 Å²	57.4	6%	0.061	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.4	176.3	-169.7	0	0	0	0	108.5	K548 I549 V575 W592	K548-V571 WeakPolarHBondContact CA-O 3.12Å; I549-V571 HydrophobicContact CB-CB 4.15Å; I549-V571 HydrophobicContact CB-CG2 4.43Å; I549-V571 HydrophobicContact CD1-CB 4.37Å; I549-V571 HydrophobicContact CD1-CG2 4.46Å; I549-V571 PolarHBondContact N-O 3.43Å; I549-V571 PolarHBondContact O-N 3.12Å; I549-V571 VanDerWaalsContact O-N 3.13Å; V571-V575 HydrophobicContact CB-CG2 4.28Å; V571-V575 HydrophobicContact CG1-CG2 3.47Å; V571-V575 VanDerWaalsContact CG1-CG2 3.47Å; V571-W592 HydrophobicContact CG1-CH2 4.48Å; V571-W592 HydrophobicContact CG1-CZ2 4.27Å; V571-W592 HydrophobicContact CG2-CH2 4.21Å
572	S	88.2	Confident	88.5	Confident	59 Å²	59	53.2 Å²	53.2	41%	0.413	29%	0.289	S	S	.	.			trans	-122.6	-9.8	-176.6	67.7	0	0	0	0	115.5
573	N	87.6	Confident	89.3	Confident	116 Å²	116	50 Å²	50	62%	0.62	27%	0.271	S	S	*	.	S	Bend	trans	-126.6	149.7	-173.2	-57.1	-12.2	0	0	0	108.8	V575 R610	N573-V575 PolarHBondContact O-N 3.01Å; N573-R610 PolarHBondContact O-NH1 2.94Å
574	N	85.5	Confident	90.2	Very high	129 Å²	129	46.7 Å²	46.7	69%	0.69	25%	0.251	S	S	*	.	S	Bend	trans	53.2	36.7	-178.8	-60.2	-5.3	0	0	0	112.7	R610	N574-R610 VanDerWaalsContact C-NH1 3.34Å; N574-R610 VanDerWaalsContact O-CZ 3.24Å; N574-R610 PolarHBondContact O-NH1 2.03Å; N574-R610 PolarHBondContact O-NH2 3.5Å
575	V	89.2	Confident	90.9	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.036	23%	0.228	C	C	.	.			trans	-123.3	136.2	170.6	173.7	0	0	0	0	105	I549 V571 N573 P578 W592 D594	I549-V575 HydrophobicContact CD1-CG2 4.42Å; I549-V575 HydrophobicContact CG1-CG1 4.46Å; V571-V575 HydrophobicContact CB-CG2 4.28Å; V571-V575 HydrophobicContact CG1-CG2 3.47Å; V571-V575 VanDerWaalsContact CG1-CG2 3.47Å; N573-V575 PolarHBondContact O-N 3.01Å; V575-P578 HydrophobicContact CG1-CB 3.87Å; V575-P578 HydrophobicContact CG1-CG 3.47Å; V575-P578 VanDerWaalsContact CG1-CG 3.47Å; V575-W592 HydrophobicContact CG2-CZ2 4.48Å; V575-D594 VanDerWaalsContact CA-OD2 3.28Å; V575-D594 WeakPolarHBondContact CA-OD2 3.39Å
576	T	90.1	Very high	91.6	Very high	36 Å²	36	37.8 Å²	37.8	22%	0.221	20%	0.203	C	C	.	.	S	Bend	trans	-123.4	-70.8	-178.6	52.7	0	0	0	0	110.7	P578 D594 G596 A597	T576-P578 WeakPolarHBondContact O-CD 3.46Å; T576-D594 PolarHBondContact N-OD2 2.82Å; T576-D594 PolarHBondContact OG1-OD1 3.29Å; T576-G596 WeakPolarHBondContact OG1-CA 3.49Å; T576-A597 PolarHBondContact OG1-N 3.47Å
577	T	91.2	Very high	92.1	Very high	26 Å²	26	38.4 Å²	38.4	16%	0.16	21%	0.206	C	C	.	.			trans	-128.4	81	174.9	57.9	0	0	0	0	109.7	D579 D594 T595 G596	T577-D579 PolarHBondContact O-N 3.12Å; T577-D594 PolarHBondContact N-OD1 2.83Å; T577-T595 PolarHBondContact O-N 3.21Å; T577-T595 WeakPolarHBondContact OG1-CB 3.46Å; T577-G596 WeakPolarHBondContact OG1-CA 3.38Å; T577-G596 PolarHBondContact OG1-N 2.91Å
578	P	94.1	Very high	92.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.			trans	-72.2	88.3	179.1	29.3	-37.1	0	0	0	111.7	S542 I549 V575 T576 T593	S542-P578 VanDerWaalsContact CB-O 3.24Å; S542-P578 WeakPolarHBondContact CB-O 3.42Å; S542-P578 PolarHBondContact OG-O 2.86Å; I549-P578 HydrophobicContact CD1-CB 4.36Å; I549-P578 HydrophobicContact CG1-CB 4.27Å; I549-P578 HydrophobicContact CG1-CG 4.41Å; V575-P578 HydrophobicContact CG1-CB 3.87Å; V575-P578 HydrophobicContact CG1-CG 3.47Å; V575-P578 VanDerWaalsContact CG1-CG 3.47Å; T576-P578 WeakPolarHBondContact O-CD 3.46Å; P578-T593 WeakPolarHBondContact CA-O 3.4Å
579	D	93.7	Very high	93.4	Very high	24 Å²	24	26.7 Å²	26.7	13%	0.128	15%	0.152	C	C	.	.			trans	-82.2	-18.2	-173	-94.3	22.8	0	0	0	114.3	T577 T593 T595 R622	T577-D579 PolarHBondContact O-N 3.12Å; D579-T593 PolarHBondContact N-O 3.14Å; D579-T595 WeakPolarHBondContact CB-OG1 2.98Å; D579-T595 PolarHBondContact OD2-OG1 3.08Å; D579-R622 HydrophobicContact CB-CG 4.26Å; D579-R622 IonicContact OD2-CZ 2.86Å; D579-R622 IonicContact OD2-NE 3.8Å; D579-R622 PolarHBondContact OD2-NE 3.07Å; D579-R622 IonicContact OD2-NH2 3.38Å
580	G	96.8	Very high	93.7	Very high	4 Å²	4	24.9 Å²	24.9	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.8	-179.1	0	0	0	0	0	113.2	W592 T593 R622	G580-W592 WeakPolarHBondContact O-CA 3.35Å; G580-W592 VanDerWaalsContact O-CB 3.28Å; G580-W592 WeakPolarHBondContact O-CB 3.43Å; G580-T593 WeakPolarHBondContact CA-OG1 3.37Å; G580-T593 PolarHBondContact N-OG1 3.09Å; G580-T593 VanDerWaalsContact N-OG1 3.07Å; G580-T593 PolarHBondContact O-N 2.85Å; G580-T593 VanDerWaalsContact O-N 3.13Å; G580-T593 PolarHBondContact O-OG1 3.18Å; G580-R622 VanDerWaalsContact CA-O 3.27Å; G580-R622 WeakPolarHBondContact CA-O 3.24Å; G580-R622 PolarHBondContact N-O 2.95Å
581	L	97.7	Very high	94	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.8	177.5	-72.9	171.9	0	0	0	110.5	A529 D531 W541 I549 I590 Y591 W592	A529-L581 HydrophobicContact CB-CB 3.94Å; A529-L581 HydrophobicContact CB-CD1 3.94Å; A529-L581 HydrophobicContact CB-CG 3.75Å; D531-L581 HydrophobicContact CB-CB 4.45Å; W541-L581 VanDerWaalsContact C-CD1 3.49Å; I549-L581 HydrophobicContact CD1-CD2 4.13Å; I549-L581 HydrophobicContact CG2-CD1 4.48Å; I549-L581 HydrophobicContact CG2-CD2 4.12Å; L581-I590 HydrophobicContact CD2-CD1 4.04Å; L581-I590 HydrophobicContact CD2-CG1 4.28Å; L581-Y591 WeakPolarHBondContact CA-O 3.3Å; L581-W592 HydrophobicContact CD2-CB 3.63Å
582	A	98.3	Very high	94.2	Very high	2 Å²	2	23 Å²	23	2%	0.017	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	133.9	169.5	0	0	0	0	0	111.9	D531 Y591 I624 L626	D531-A582 VanDerWaalsContact OD2-CA 3.27Å; D531-A582 WeakPolarHBondContact OD2-CA 3.22Å; A582-Y591 PolarHBondContact N-O 2.97Å; A582-Y591 PolarHBondContact O-N 3.03Å; A582-I624 HydrophobicContact CB-CG1 4.21Å; A582-I624 HydrophobicContact CB-CG2 3.97Å; A582-L626 HydrophobicContact CB-CD1 3.76Å; A582-L626 HydrophobicContact CB-CD2 4.36Å; A582-L626 HydrophobicContact CB-CG 3.63Å
583	V	97.9	Very high	94.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.8	-177.3	166.9	0	0	0	0	110.4	D531 Y532 F540 W585 I590 F605	D531-V583 HydrophobicContact CB-CB 4.38Å; D531-V583 HydrophobicContact CB-CG2 3.86Å; D531-V583 PolarHBondContact OD2-N 3.34Å; Y532-V583 WeakPolarHBondContact O-CG1 3.05Å; F540-V583 HydrophobicContact CD2-CG2 3.6Å; F540-V583 HydrophobicContact CE2-CG2 4.01Å; F540-V583 HydrophobicContact CG-CG2 4.31Å; V583-W585 VanDerWaalsContact O-CE3 3.24Å; V583-W585 PolarHBondContact O-N 2.89Å; V583-I590 HydrophobicContact CG2-CG1 4.43Å; V583-F605 HydrophobicContact CG1-CE1 3.75Å; V583-F605 HydrophobicContact CG1-CZ 3.56Å
584	D	97.3	Very high	95.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	95.9	163.7	-176.9	-16.6	0	0	0	108.9	V586 H587 D588 L589 Y591 L626 P628 M649	D584-V586 PolarHBondContact O-N 3.09Å; D584-V586 WeakPolarHBondContact OD1-CA 2.99Å; D584-V586 WeakPolarHBondContact OD1-CB 3.32Å; D584-V586 PolarHBondContact OD1-N 2.62Å; D584-H587 VanDerWaalsContact CG-ND1 3.29Å; D584-H587 IonicContact OD1-CG 2.83Å; D584-H587 PolarHBondContact OD1-N 3.22Å; D584-H587 IonicContact OD1-ND1 3.42Å; D584-H587 PolarHBondContact OD1-ND1 3.29Å; D584-H587 VanDerWaalsContact OD1-ND1 3.1Å; D584-H587 WeakPolarHBondContact OD2-CB 3.29Å; D584-H587 IonicContact OD2-CE1 3.15Å; D584-H587 IonicContact OD2-CG 3.56Å; D584-H587 IonicContact OD2-ND1 3.64Å; D584-H587 PolarHBondContact OD2-ND1 3.23Å; D584-D588 WeakPolarHBondContact O-CA 3.44Å; D584-D588 PolarHBondContact O-N 2.94Å; D584-L589 HydrophobicContact CB-CB 4.09Å; D584-L589 PolarHBondContact N-O 2.72Å; D584-L589 PolarHBondContact O-N 3.07Å; D584-Y591 HydrophobicContact CB-CE2 4.3Å; D584-L626 HydrophobicContact CB-CD1 4.19Å; D584-P628 HydrophobicContact CB-CG 4.38Å; D584-P628 WeakPolarHBondContact OD1-CB 3.2Å; D584-M649 HydrophobicContact CB-CE 3.93Å; D584-M649 WeakPolarHBondContact OD2-CE 3.49Å
585	W	95.9	Very high	95.5	Very high	14 Å²	14	9 Å²	9	5%	0.053	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.7	179.8	63.5	89.9	0	0	0	113.9	V583 P628 L671 Q761 P762	V583-W585 VanDerWaalsContact O-CE3 3.24Å; V583-W585 PolarHBondContact O-N 2.89Å; W585-P628 HydrophobicContact CE3-CG 4.47Å; W585-P628 HydrophobicContact CH2-CG 4.04Å; W585-P628 HydrophobicContact CZ2-CG 4.26Å; W585-P628 HydrophobicContact CZ3-CG 4.17Å; W585-L671 HydrophobicContact CH2-CD1 3.57Å; W585-L671 HydrophobicContact CZ2-CD1 3.8Å; W585-Q761 HydrophobicContact CD2-CB 3.71Å; W585-Q761 HydrophobicContact CD2-CG 3.59Å; W585-Q761 HydrophobicContact CE3-CB 4.31Å; W585-Q761 HydrophobicContact CE3-CG 3.68Å; W585-Q761 HydrophobicContact CG-CB 3.89Å; W585-Q761 HydrophobicContact CG-CG 4.07Å; W585-Q761 HydrophobicContact CH2-CG 4.33Å; W585-Q761 HydrophobicContact CZ2-CB 4.14Å; W585-Q761 HydrophobicContact CZ2-CG 4.24Å; W585-Q761 HydrophobicContact CZ3-CG 4.06Å; W585-P762 PolarHBondContact NE1-O 3.05Å
586	V	94.9	Very high	95.5	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.012	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-41.9	179.7	-179.5	0	0	0	0	110.3	D584 P628 W764 N766	D584-V586 PolarHBondContact O-N 3.09Å; D584-V586 WeakPolarHBondContact OD1-CA 2.99Å; D584-V586 WeakPolarHBondContact OD1-CB 3.32Å; D584-V586 PolarHBondContact OD1-N 2.62Å; V586-P628 HydrophobicContact CB-CB 4.13Å; V586-P628 HydrophobicContact CG2-CB 3.88Å; V586-P628 HydrophobicContact CG2-CG 4.48Å; V586-W764 HydrophobicContact CG1-CB 4.44Å; V586-W764 HydrophobicContact CG2-CB 4Å; V586-N766 HydrophobicContact CG1-CB 4.2Å; V586-N766 PolarHBondContact O-ND2 3.17Å; V586-N766 VanDerWaalsContact O-ND2 3.11Å
587	H	94.7	Very high	95.6	Very high	17 Å²	17	10.5 Å²	10.5	8%	0.079	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	4.5	-175.2	-48.3	90.7	0	0	0	113.9	D584 L589 N766 K767	D584-H587 VanDerWaalsContact CG-ND1 3.29Å; D584-H587 IonicContact OD1-CG 2.83Å; D584-H587 PolarHBondContact OD1-N 3.22Å; D584-H587 IonicContact OD1-ND1 3.42Å; D584-H587 PolarHBondContact OD1-ND1 3.29Å; D584-H587 VanDerWaalsContact OD1-ND1 3.1Å; D584-H587 WeakPolarHBondContact OD2-CB 3.29Å; D584-H587 IonicContact OD2-CE1 3.15Å; D584-H587 IonicContact OD2-CG 3.56Å; D584-H587 IonicContact OD2-ND1 3.64Å; D584-H587 PolarHBondContact OD2-ND1 3.23Å; H587-L589 HydrophobicContact CB-CD1 4.18Å; H587-L589 HydrophobicContact CB-CG 4.26Å; H587-N766 PolarHBondContact CD2-OD1 3.21Å; H587-K767 PolarHBondContact NE2-N 3.24Å
588	D	95.6	Very high	95.7	Very high	37 Å²	37	11.6 Å²	11.6	20%	0.198	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	44.2	179.7	-57.2	-51.6	0	0	0	113.8	R536 D584 F605	R536-D588 WeakPolarHBondContact CG-OD1 3.45Å; R536-D588 IonicContact CZ-OD1 3.4Å; R536-D588 IonicContact CZ-OD2 3.72Å; R536-D588 IonicContact NE-OD1 2.66Å; R536-D588 PolarHBondContact NE-OD1 2.82Å; R536-D588 IonicContact NE-OD2 3.31Å; R536-D588 PolarHBondContact NE-OD2 2.77Å; R536-D588 IonicContact NH2-OD1 3.92Å; R536-D588 IonicContact NH2-OD2 2.74Å; R536-D588 PolarHBondContact NH2-OD2 3.39Å; D584-D588 WeakPolarHBondContact O-CA 3.44Å; D584-D588 PolarHBondContact O-N 2.94Å; D588-F605 VanDerWaalsContact C-CD1 3.47Å; D588-F605 VanDerWaalsContact C-CE1 3.41Å; D588-F605 HydrophobicContact CB-CD2 3.85Å; D588-F605 HydrophobicContact CB-CE2 3.86Å; D588-F605 HydrophobicContact CB-CG 4.27Å; D588-F605 HydrophobicContact CB-CZ 4.3Å; D588-F605 WeakPolarHBondContact O-CD1 3.43Å; D588-F605 PolarHBondContact O-N 3.09Å; D588-F605 WeakPolarHBondContact OD1-CE2 3.25Å
589	L	96.9	Very high	95.9	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	-179.1	-58.2	173.3	0	0	0	111.9	D584 H587 Y591 V602 A603 K604 F605 L776 I778	D584-L589 HydrophobicContact CB-CB 4.09Å; D584-L589 PolarHBondContact N-O 2.72Å; D584-L589 PolarHBondContact O-N 3.07Å; H587-L589 HydrophobicContact CB-CD1 4.18Å; H587-L589 HydrophobicContact CB-CG 4.26Å; L589-Y591 HydrophobicContact CB-CD2 4.43Å; L589-Y591 HydrophobicContact CB-CE2 3.82Å; L589-Y591 HydrophobicContact CD1-CE2 4.3Å; L589-V602 HydrophobicContact CB-CG2 4.15Å; L589-V602 HydrophobicContact CD1-CG2 4.4Å; L589-A603 CarbonylContact C-O 3.57Å; L589-A603 WeakPolarHBondContact CA-O 3.25Å; L589-K604 HydrophobicContact CD2-CG 4.08Å; L589-F605 VanDerWaalsContact C-CE1 3.49Å; L589-F605 VanDerWaalsContact O-CE1 3.32Å; L589-F605 WeakPolarHBondContact O-CE1 3.45Å; L589-L776 HydrophobicContact CD2-CD2 4.05Å; L589-I778 HydrophobicContact CD1-CG1 4.17Å
590	I	97.4	Very high	96	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.9	173.1	-170.4	169.8	0	0	0	110.1	F540 I549 L581 V583 W592 V602 A603 F605	F540-I590 HydrophobicContact CB-CD1 3.88Å; F540-I590 HydrophobicContact CD1-CD1 3.69Å; F540-I590 HydrophobicContact CE1-CD1 4.39Å; F540-I590 HydrophobicContact CG-CD1 3.83Å; I549-I590 HydrophobicContact CG2-CD1 4.11Å; L581-I590 HydrophobicContact CD2-CD1 4.04Å; L581-I590 HydrophobicContact CD2-CG1 4.28Å; V583-I590 HydrophobicContact CG2-CG1 4.43Å; I590-W592 HydrophobicContact CG2-CZ3 4.48Å; I590-V602 CarbonylContact O-C 3.4Å; I590-V602 VanDerWaalsContact O-CA 3.28Å; I590-V602 WeakPolarHBondContact O-CA 3.05Å; I590-A603 HydrophobicContact CG2-CB 4.15Å; I590-A603 PolarHBondContact N-O 3.15Å; I590-A603 PolarHBondContact O-N 2.86Å; I590-F605 HydrophobicContact CB-CD1 4.42Å
591	Y	98.2	Very high	96.1	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.4	178.4	-70	-105.4	0	0	0	109.6	L581 A582 D584 L589 S601 V602 L613 L626 M633 M649 I778	L581-Y591 WeakPolarHBondContact CA-O 3.3Å; A582-Y591 PolarHBondContact N-O 2.97Å; A582-Y591 PolarHBondContact O-N 3.03Å; D584-Y591 HydrophobicContact CB-CE2 4.3Å; L589-Y591 HydrophobicContact CB-CD2 4.43Å; L589-Y591 HydrophobicContact CB-CE2 3.82Å; L589-Y591 HydrophobicContact CD1-CE2 4.3Å; Y591-S601 WeakPolarHBondContact CA-O 3.21Å; Y591-V602 HydrophobicContact CD1-CB 3.87Å; Y591-V602 HydrophobicContact CD1-CG2 3.99Å; Y591-V602 HydrophobicContact CD2-CG2 3.96Å; Y591-V602 HydrophobicContact CE1-CB 3.73Å; Y591-V602 HydrophobicContact CE1-CG2 3.64Å; Y591-V602 HydrophobicContact CE2-CG2 3.59Å; Y591-V602 HydrophobicContact CG-CB 4.34Å; Y591-V602 HydrophobicContact CG-CG2 4.14Å; Y591-V602 VanDerWaalsContact CZ-CG2 3.41Å; Y591-L613 HydrophobicContact CD1-CD1 3.98Å; Y591-L613 HydrophobicContact CE1-CD1 3.56Å; Y591-L626 HydrophobicContact CD1-CD2 4.43Å; Y591-L626 HydrophobicContact CD2-CD1 3.48Å; Y591-L626 VanDerWaalsContact CD2-CD1 3.48Å; Y591-L626 HydrophobicContact CD2-CD2 4.29Å; Y591-L626 HydrophobicContact CE2-CD1 4.04Å; Y591-L626 HydrophobicContact CG-CD1 4.04Å; Y591-L626 HydrophobicContact CG-CD2 4.15Å; Y591-M633 HydrophobicContact CD1-SD 4.26Å; Y591-M633 HydrophobicContact CE1-SD 4.35Å; Y591-M649 HydrophobicContact CD2-CE 4.49Å; Y591-M649 WeakPolarHBondContact CE1-O 3.48Å; Y591-M649 HydrophobicContact CE2-CE 3.61Å; Y591-M649 PolarHBondContact OH-O 2.03Å; Y591-M649 VanDerWaalsContact OH-O 3.12Å; Y591-I778 WeakPolarHBondContact OH-CG2 3.42Å
592	W	97.9	Very high	96.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.7	175.7	70.5	99	0	0	0	112.4	I549 V571 V575 G580 L581 I590 I600 S601 A603 R610	I549-W592 HydrophobicContact CD1-CB 4.13Å; I549-W592 HydrophobicContact CD1-CD2 3.66Å; I549-W592 HydrophobicContact CD1-CE3 4.16Å; I549-W592 HydrophobicContact CD1-CG 3.66Å; V571-W592 HydrophobicContact CG1-CH2 4.48Å; V571-W592 HydrophobicContact CG1-CZ2 4.27Å; V571-W592 HydrophobicContact CG2-CH2 4.21Å; V575-W592 HydrophobicContact CG2-CZ2 4.48Å; G580-W592 WeakPolarHBondContact O-CA 3.35Å; G580-W592 VanDerWaalsContact O-CB 3.28Å; G580-W592 WeakPolarHBondContact O-CB 3.43Å; L581-W592 HydrophobicContact CD2-CB 3.63Å; I590-W592 HydrophobicContact CG2-CZ3 4.48Å; W592-I600 WeakPolarHBondContact O-CA 3.31Å; W592-S601 PolarHBondContact N-O 3.43Å; W592-S601 PolarHBondContact O-N 2.79Å; W592-A603 HydrophobicContact CH2-CB 4.1Å; W592-A603 HydrophobicContact CZ3-CB 3.86Å; W592-R610 HydrophobicContact CH2-CG 3.89Å; W592-R610 HydrophobicContact CZ2-CG 4.36Å
593	T	98	Very high	96	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	139.3	166.2	44.5	0	0	0	0	108	P578 D579 G580 T599 I600 P621 R622 I624 W635	P578-T593 WeakPolarHBondContact CA-O 3.4Å; D579-T593 PolarHBondContact N-O 3.14Å; G580-T593 WeakPolarHBondContact CA-OG1 3.37Å; G580-T593 PolarHBondContact N-OG1 3.09Å; G580-T593 VanDerWaalsContact N-OG1 3.07Å; G580-T593 PolarHBondContact O-N 2.85Å; G580-T593 VanDerWaalsContact O-N 3.13Å; G580-T593 PolarHBondContact O-OG1 3.18Å; T593-T599 WeakPolarHBondContact CA-O 3.02Å; T593-I600 HydrophobicContact CG2-CD1 4.33Å; T593-I600 HydrophobicContact CG2-CG1 3.93Å; T593-P621 HydrophobicContact CG2-CB 4.02Å; T593-R622 WeakPolarHBondContact CB-O 3.4Å; T593-R622 PolarHBondContact OG1-O 3.1Å; T593-I624 HydrophobicContact CG2-CB 3.92Å; T593-I624 HydrophobicContact CG2-CD1 4.37Å; T593-I624 HydrophobicContact CG2-CG2 4.16Å; T593-W635 HydrophobicContact CG2-CB 4.34Å
594	D	96.4	Very high	95.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109.6	175.1	-165.4	-37.3	0	0	0	108.8	V575 T576 T577 G596 A597 D598 T599	V575-D594 VanDerWaalsContact CA-OD2 3.28Å; V575-D594 WeakPolarHBondContact CA-OD2 3.39Å; T576-D594 PolarHBondContact N-OD2 2.82Å; T576-D594 PolarHBondContact OG1-OD1 3.29Å; T577-D594 PolarHBondContact N-OD1 2.83Å; D594-G596 VanDerWaalsContact C-N 3.34Å; D594-G596 PolarHBondContact OD1-N 2.93Å; D594-G596 VanDerWaalsContact OD1-N 3.11Å; D594-A597 HydrophobicContact CB-CB 4.1Å; D594-A597 PolarHBondContact OD1-N 2.77Å; D594-D598 WeakPolarHBondContact O-CA 3.05Å; D594-D598 PolarHBondContact O-N 2.97Å; D594-T599 PolarHBondContact N-O 3.03Å; D594-T599 PolarHBondContact O-N 3.19Å; D594-T599 VanDerWaalsContact O-N 3.11Å
595	T	93.4	Very high	95.7	Very high	10 Å²	10	15.1 Å²	15.1	6%	0.061	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-30.2	-176.4	-50.9	0	0	0	0	111.9	T577 D579 E620 P621	T577-T595 PolarHBondContact O-N 3.21Å; T577-T595 WeakPolarHBondContact OG1-CB 3.46Å; D579-T595 WeakPolarHBondContact CB-OG1 2.98Å; D579-T595 PolarHBondContact OD2-OG1 3.08Å; T595-E620 HydrophobicContact CG2-CB 4.18Å; T595-E620 WeakPolarHBondContact CG2-OE2 3.41Å; T595-P621 PolarHBondContact OG1-O 2.88Å
596	G	88.9	Confident	95.5	Very high	33 Å²	33	19.8 Å²	19.8	34%	0.34	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-23.7	-178.2	0	0	0	0	0	112.4	T576 T577 D594	T576-G596 WeakPolarHBondContact OG1-CA 3.49Å; T577-G596 WeakPolarHBondContact OG1-CA 3.38Å; T577-G596 PolarHBondContact OG1-N 2.91Å; D594-G596 VanDerWaalsContact C-N 3.34Å; D594-G596 PolarHBondContact OD1-N 2.93Å; D594-G596 VanDerWaalsContact OD1-N 3.11Å
597	A	91.6	Very high	95.3	Very high	40 Å²	40	20.5 Å²	20.5	33%	0.331	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.6	177.5	0	0	0	0	0	113.4	T576 D594 T599	T576-A597 PolarHBondContact OG1-N 3.47Å; D594-A597 HydrophobicContact CB-CB 4.1Å; D594-A597 PolarHBondContact OD1-N 2.77Å; A597-T599 VanDerWaalsContact C-N 3.28Å; A597-T599 HydrophobicContact CB-CG2 4.25Å; A597-T599 WeakPolarHBondContact O-CG2 3.13Å; A597-T599 PolarHBondContact O-N 3Å
598	D	94.8	Very high	95.2	Very high	49 Å²	49	21.3 Å²	21.3	26%	0.262	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	42.8	-173.8	-55.8	-29.7	0	0	0	112.9	K285 D594 L618	K285-D598 IonicContact NZ-OD1 2.72Å; K285-D598 PolarHBondContact NZ-OD1 2.87Å; K285-D598 IonicContact NZ-OD2 3.56Å; D594-D598 WeakPolarHBondContact O-CA 3.05Å; D594-D598 PolarHBondContact O-N 2.97Å; D598-L618 HydrophobicContact CB-CB 4.35Å; D598-L618 WeakPolarHBondContact O-CB 3.29Å; D598-L618 WeakPolarHBondContact O-CD1 3.49Å
599	T	96.7	Very high	95.1	Very high	16 Å²	16	23.3 Å²	23.3	10%	0.098	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.5	-174.1	68.1	0	0	0	0	115.1	T593 D594 A597 T612 I614 D615	T593-T599 WeakPolarHBondContact CA-O 3.02Å; D594-T599 PolarHBondContact N-O 3.03Å; D594-T599 PolarHBondContact O-N 3.19Å; D594-T599 VanDerWaalsContact O-N 3.11Å; A597-T599 VanDerWaalsContact C-N 3.28Å; A597-T599 HydrophobicContact CB-CG2 4.25Å; A597-T599 WeakPolarHBondContact O-CG2 3.13Å; A597-T599 PolarHBondContact O-N 3Å; T599-T612 HydrophobicContact CG2-CG2 3.9Å; T599-I614 CarbonylContact C-O 3.57Å; T599-I614 VanDerWaalsContact CA-O 3.27Å; T599-I614 WeakPolarHBondContact CA-O 3.01Å; T599-D615 HydrophobicContact CG2-CB 4.35Å
600	I	97.8	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.1	160.9	-62.5	171	0	0	0	108	W592 T593 L613 I614 L618 I624 M633 W635	W592-I600 WeakPolarHBondContact O-CA 3.31Å; T593-I600 HydrophobicContact CG2-CD1 4.33Å; T593-I600 HydrophobicContact CG2-CG1 3.93Å; I600-L613 PolarHBondContact O-N 3.27Å; I600-I614 HydrophobicContact CB-CB 4.22Å; I600-I614 HydrophobicContact CD1-CD1 4.2Å; I600-I614 PolarHBondContact N-O 2.89Å; I600-I614 PolarHBondContact O-N 2.92Å; I600-L618 HydrophobicContact CD1-CD1 4.14Å; I600-L618 HydrophobicContact CD1-CD2 4.49Å; I600-L618 HydrophobicContact CG1-CD1 3.9Å; I600-I624 HydrophobicContact CG2-CD1 3.95Å; I600-M633 HydrophobicContact CG2-CE 4.36Å; I600-M633 HydrophobicContact CG2-SD 4.38Å; I600-W635 HydrophobicContact CD1-CB 4.15Å; I600-W635 HydrophobicContact CD1-CD2 3.43Å; I600-W635 VanDerWaalsContact CD1-CD2 3.43Å; I600-W635 HydrophobicContact CD1-CE3 3.94Å; I600-W635 HydrophobicContact CD1-CG 3.52Å; I600-W635 HydrophobicContact CD1-CZ2 4.31Å
601	S	97.3	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.9	-174.2	-67.6	0	0	0	0	111.9	Y591 W592 R611	Y591-S601 WeakPolarHBondContact CA-O 3.21Å; W592-S601 PolarHBondContact N-O 3.43Å; W592-S601 PolarHBondContact O-N 2.79Å; S601-R611 WeakPolarHBondContact CA-O 3.29Å
602	V	97.4	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.5	177	64.5	0	0	0	0	111	L589 I590 Y591 R610 R611 L613 L776 I778	L589-V602 HydrophobicContact CB-CG2 4.15Å; L589-V602 HydrophobicContact CD1-CG2 4.4Å; I590-V602 CarbonylContact O-C 3.4Å; I590-V602 VanDerWaalsContact O-CA 3.28Å; I590-V602 WeakPolarHBondContact O-CA 3.05Å; Y591-V602 HydrophobicContact CD1-CB 3.87Å; Y591-V602 HydrophobicContact CD1-CG2 3.99Å; Y591-V602 HydrophobicContact CD2-CG2 3.96Å; Y591-V602 HydrophobicContact CE1-CB 3.73Å; Y591-V602 HydrophobicContact CE1-CG2 3.64Å; Y591-V602 HydrophobicContact CE2-CG2 3.59Å; Y591-V602 HydrophobicContact CG-CB 4.34Å; Y591-V602 HydrophobicContact CG-CG2 4.14Å; Y591-V602 VanDerWaalsContact CZ-CG2 3.41Å; V602-R610 CarbonylContact O-C 3.52Å; V602-R610 VanDerWaalsContact O-CA 3.3Å; V602-R610 WeakPolarHBondContact O-CA 2.78Å; V602-R611 HydrophobicContact CG1-CB 4Å; V602-R611 PolarHBondContact N-O 3.24Å; V602-R611 PolarHBondContact O-N 2.86Å; V602-L613 HydrophobicContact CB-CD1 3.96Å; V602-L613 HydrophobicContact CB-CG 4.41Å; V602-L613 HydrophobicContact CG1-CD1 3.82Å; V602-L613 HydrophobicContact CG1-CD2 3.97Å; V602-L613 HydrophobicContact CG1-CG 3.84Å; V602-L776 HydrophobicContact CG1-CD1 4.14Å; V602-I778 HydrophobicContact CG1-CD1 4.02Å
603	A	96.6	Very high	94.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	169.4	170.2	0	0	0	0	0	110.9	L589 I590 W592 R610	L589-A603 CarbonylContact C-O 3.57Å; L589-A603 WeakPolarHBondContact CA-O 3.25Å; I590-A603 HydrophobicContact CG2-CB 4.15Å; I590-A603 PolarHBondContact N-O 3.15Å; I590-A603 PolarHBondContact O-N 2.86Å; W592-A603 HydrophobicContact CH2-CB 4.1Å; W592-A603 HydrophobicContact CZ3-CB 3.86Å; A603-R610 HydrophobicContact CB-CB 4.26Å
604	K	95.5	Very high	94.4	Very high	68 Å²	68	32.2 Å²	32.2	30%	0.296	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	164.1	164.9	-67.8	-169.5	-176.3	173.2	0	110.6	L589 D606 G607 S608 F609 Q775 L776	L589-K604 HydrophobicContact CD2-CG 4.08Å; K604-D606 VanDerWaalsContact CB-OD1 3.26Å; K604-D606 WeakPolarHBondContact CB-OD1 3.42Å; K604-D606 PolarHBondContact O-N 2.79Å; K604-D606 VanDerWaalsContact O-N 3.12Å; K604-G607 WeakPolarHBondContact O-CA 3.44Å; K604-G607 PolarHBondContact O-N 3.17Å; K604-S608 PolarHBondContact N-O 2.94Å; K604-S608 VanDerWaalsContact N-O 3.13Å; K604-F609 HydrophobicContact CD-CD2 3.96Å; K604-Q775 WeakPolarHBondContact CE-O 3.23Å; K604-Q775 PolarHBondContact NZ-O 2.83Å; K604-L776 HydrophobicContact CG-CD2 4.07Å
605	F	94.4	Very high	94.3	Very high	26 Å²	26	37.2 Å²	37.2	11%	0.114	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.9	177.3	-73.1	-6.5	0	0	0	115.2	R536 F540 I570 V583 D588 L589 I590 G607	R536-F605 HydrophobicContact CB-CE2 4.4Å; R536-F605 HydrophobicContact CG-CD2 4.44Å; R536-F605 HydrophobicContact CG-CE2 3.97Å; F540-F605 HydrophobicContact CE1-CB 4.38Å; F540-F605 HydrophobicContact CE1-CD1 4.32Å; F540-F605 HydrophobicContact CE1-CG 4.39Å; F540-F605 HydrophobicContact CE2-CD1 4.3Å; F540-F605 HydrophobicContact CE2-CE1 4.22Å; F540-F605 HydrophobicContact CE2-CZ 4.39Å; F540-F605 HydrophobicContact CZ-CB 4.06Å; F540-F605 AromaticContact CZ-CD1 3.7Å; F540-F605 HydrophobicContact CZ-CD1 3.7Å; F540-F605 HydrophobicContact CZ-CD2 4.06Å; F540-F605 HydrophobicContact CZ-CE1 4.08Å; F540-F605 HydrophobicContact CZ-CE2 4.43Å; F540-F605 AromaticContact CZ-CG 3.69Å; F540-F605 HydrophobicContact CZ-CG 3.69Å; F540-F605 HydrophobicContact CZ-CZ 4.44Å; I570-F605 WeakPolarHBondContact CD1-O 3.39Å; V583-F605 HydrophobicContact CG1-CE1 3.75Å; V583-F605 HydrophobicContact CG1-CZ 3.56Å; D588-F605 VanDerWaalsContact C-CD1 3.47Å; D588-F605 VanDerWaalsContact C-CE1 3.41Å; D588-F605 HydrophobicContact CB-CD2 3.85Å; D588-F605 HydrophobicContact CB-CE2 3.86Å; D588-F605 HydrophobicContact CB-CG 4.27Å; D588-F605 HydrophobicContact CB-CZ 4.3Å; D588-F605 WeakPolarHBondContact O-CD1 3.43Å; D588-F605 PolarHBondContact O-N 3.09Å; D588-F605 WeakPolarHBondContact OD1-CE2 3.25Å; L589-F605 VanDerWaalsContact C-CE1 3.49Å; L589-F605 VanDerWaalsContact O-CE1 3.32Å; L589-F605 WeakPolarHBondContact O-CE1 3.45Å; I590-F605 HydrophobicContact CB-CD1 4.42Å; F605-G607 VanDerWaalsContact C-N 3.33Å
606	D	91.3	Very high	94.3	Very high	112 Å²	112	44 Å²	44	60%	0.599	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	1.3	174.9	67.4	-11.3	0	0	0	113.4	K604 S608	K604-D606 VanDerWaalsContact CB-OD1 3.26Å; K604-D606 WeakPolarHBondContact CB-OD1 3.42Å; K604-D606 PolarHBondContact O-N 2.79Å; K604-D606 VanDerWaalsContact O-N 3.12Å; D606-S608 VanDerWaalsContact CG-OG 3.26Å; D606-S608 PolarHBondContact O-N 2.61Å; D606-S608 WeakPolarHBondContact OD1-CB 3.38Å; D606-S608 PolarHBondContact OD1-N 3.12Å; D606-S608 PolarHBondContact OD1-OG 2.8Å; D606-S608 PolarHBondContact OD2-OG 2.76Å
607	G	91.4	Very high	94.5	Very high	18 Å²	18	47 Å²	47	19%	0.186	24%	0.241	C	C	.	.	S	Bend	trans	82.3	-1.9	-178.2	0	0	0	0	0	113.6	I570 K604 F605	I570-G607 VanDerWaalsContact CG2-N 3.26Å; I570-G607 WeakPolarHBondContact O-CA 3.12Å; K604-G607 WeakPolarHBondContact O-CA 3.44Å; K604-G607 PolarHBondContact O-N 3.17Å; F605-G607 VanDerWaalsContact C-N 3.33Å
608	S	92.4	Very high	94.6	Very high	33 Å²	33	45.7 Å²	45.7	23%	0.231	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	154.1	178	72.1	0	0	0	0	111.8	K604 D606 R610	K604-S608 PolarHBondContact N-O 2.94Å; K604-S608 VanDerWaalsContact N-O 3.13Å; D606-S608 VanDerWaalsContact CG-OG 3.26Å; D606-S608 PolarHBondContact O-N 2.61Å; D606-S608 WeakPolarHBondContact OD1-CB 3.38Å; D606-S608 PolarHBondContact OD1-N 3.12Å; D606-S608 PolarHBondContact OD1-OG 2.8Å; D606-S608 PolarHBondContact OD2-OG 2.76Å; S608-R610 PolarHBondContact O-N 3.27Å
609	F	91.7	Very high	94.5	Very high	79 Å²	79	44.9 Å²	44.9	35%	0.346	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	44.8	176	-51.1	-67.9	0	0	0	114.4	K604 Q775 L776	K604-F609 HydrophobicContact CD-CD2 3.96Å; F609-Q775 HydrophobicContact CB-CB 4.23Å; F609-Q775 HydrophobicContact CD1-CB 3.56Å; F609-Q775 HydrophobicContact CD1-CG 3.47Å; F609-Q775 VanDerWaalsContact CD1-CG 3.47Å; F609-Q775 HydrophobicContact CE1-CB 4.01Å; F609-Q775 HydrophobicContact CE1-CG 3.53Å; F609-Q775 HydrophobicContact CG-CB 3.86Å; F609-Q775 HydrophobicContact CG-CG 4.28Å; F609-Q775 HydrophobicContact CZ-CG 4.37Å; F609-L776 HydrophobicContact CB-CD2 3.89Å; F609-L776 HydrophobicContact CB-CG 3.95Å; F609-L776 WeakPolarHBondContact O-CD1 3.45Å; F609-L776 WeakPolarHBondContact O-CD2 2.99Å; F609-L776 WeakPolarHBondContact O-CG 3.41Å
610	R	94	Very high	94.3	Very high	37 Å²	37	45 Å²	45	14%	0.14	22%	0.223	C	C	.	.			trans	-57.4	137.5	173.1	171	178.6	169.9	166.8	3.4	112	N573 N574 W592 V602 A603 S608 G805 D806	N573-R610 PolarHBondContact O-NH1 2.94Å; N574-R610 VanDerWaalsContact C-NH1 3.34Å; N574-R610 VanDerWaalsContact O-CZ 3.24Å; N574-R610 PolarHBondContact O-NH1 2.03Å; N574-R610 PolarHBondContact O-NH2 3.5Å; W592-R610 HydrophobicContact CH2-CG 3.89Å; W592-R610 HydrophobicContact CZ2-CG 4.36Å; V602-R610 CarbonylContact O-C 3.52Å; V602-R610 VanDerWaalsContact O-CA 3.3Å; V602-R610 WeakPolarHBondContact O-CA 2.78Å; A603-R610 HydrophobicContact CB-CB 4.26Å; S608-R610 PolarHBondContact O-N 3.27Å; R610-G805 CarbonylContact O-C 3.45Å; R610-G805 WeakPolarHBondContact O-CA 3.5Å; R610-D806 IonicContact NE-OD2 3.84Å; R610-D806 PolarHBondContact O-N 3.13Å
611	R	94.5	Very high	94.3	Very high	84 Å²	84	45 Å²	45	32%	0.317	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.8	172.4	178.4	54.8	175.1	-152.7	12.2	111.3	S601 V602 L613 L776 C804 D806	S601-R611 WeakPolarHBondContact CA-O 3.29Å; V602-R611 HydrophobicContact CG1-CB 4Å; V602-R611 PolarHBondContact N-O 3.24Å; V602-R611 PolarHBondContact O-N 2.86Å; R611-L613 HydrophobicContact CG-CD2 4.19Å; R611-L776 HydrophobicContact CB-CD1 3.7Å; R611-C804 VanDerWaalsContact CD-O 3.25Å; R611-C804 WeakPolarHBondContact CD-O 3.48Å; R611-C804 PolarHBondContact NH1-O 2.83Å; R611-D806 VanDerWaalsContact CD-OD1 3.26Å; R611-D806 WeakPolarHBondContact CD-OD1 3.25Å
612	T	95.4	Very high	94.2	Very high	35 Å²	35	46.1 Å²	46.1	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122	166	-53	0	0	0	0	109.6	T599 D615 D806	T599-T612 HydrophobicContact CG2-CG2 3.9Å; T612-D615 HydrophobicContact CG2-CB 4.17Å; T612-D806 PolarHBondContact N-OD1 2.91Å; T612-D806 PolarHBondContact N-OD2 2.78Å; T612-D806 PolarHBondContact OG1-OD2 2.76Å; T612-D806 VanDerWaalsContact OG1-OD2 3.13Å
613	L	95.5	Very high	94.2	Very high	28 Å²	28	46.8 Å²	46.8	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-44.2	-175.5	-65.8	175.9	0	0	0	112.4	Y591 I600 V602 R611 M633 M649 L803	Y591-L613 HydrophobicContact CD1-CD1 3.98Å; Y591-L613 HydrophobicContact CE1-CD1 3.56Å; I600-L613 PolarHBondContact O-N 3.27Å; V602-L613 HydrophobicContact CB-CD1 3.96Å; V602-L613 HydrophobicContact CB-CG 4.41Å; V602-L613 HydrophobicContact CG1-CD1 3.82Å; V602-L613 HydrophobicContact CG1-CD2 3.97Å; V602-L613 HydrophobicContact CG1-CG 3.84Å; R611-L613 HydrophobicContact CG-CD2 4.19Å; L613-M633 HydrophobicContact CD1-CE 4.47Å; L613-M649 WeakPolarHBondContact CD1-O 3.42Å; L613-L803 HydrophobicContact CD2-CD1 3.74Å
614	I	96.3	Very high	94.3	Very high	9 Å²	9	47 Å²	47	5%	0.046	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.6	-178	-55.8	177.8	0	0	0	108	T599 I600 L618 M633 W635 R654	T599-I614 CarbonylContact C-O 3.57Å; T599-I614 VanDerWaalsContact CA-O 3.27Å; T599-I614 WeakPolarHBondContact CA-O 3.01Å; I600-I614 HydrophobicContact CB-CB 4.22Å; I600-I614 HydrophobicContact CD1-CD1 4.2Å; I600-I614 PolarHBondContact N-O 2.89Å; I600-I614 PolarHBondContact O-N 2.92Å; I614-L618 HydrophobicContact CB-CD1 4.08Å; I614-L618 HydrophobicContact CG2-CD1 3.6Å; I614-L618 HydrophobicContact CG2-CD2 4.45Å; I614-L618 HydrophobicContact CG2-CG 3.91Å; I614-M633 HydrophobicContact CD1-CE 3.58Å; I614-M633 HydrophobicContact CG1-CE 4.31Å; I614-W635 HydrophobicContact CD1-CH2 3.48Å; I614-W635 VanDerWaalsContact CD1-CH2 3.48Å; I614-W635 HydrophobicContact CD1-CZ2 3.77Å; I614-W635 HydrophobicContact CD1-CZ3 4.05Å; I614-R654 VanDerWaalsContact CG2-NH1 3.34Å
615	D	94	Very high	94.4	Very high	104 Å²	104	44.6 Å²	44.6	56%	0.556	23%	0.226	S	C	*	.			trans	-136.1	12.3	-177.1	64.6	-16.7	0	0	0	112.2	T599 T612	T599-D615 HydrophobicContact CG2-CB 4.35Å; T612-D615 HydrophobicContact CG2-CB 4.17Å
616	K	93.7	Very high	94.5	Very high	153 Å²	153	43.6 Å²	43.6	67%	0.665	22%	0.221	S	C	*	.	S	Bend	trans	-131	143.5	-175	-71.5	174.9	-169	179.6	0	110.5	L618 R654	K616-L618 PolarHBondContact O-N 3.42Å; K616-R654 PolarHBondContact O-NH1 3.07Å
617	D	92.7	Very high	94.6	Very high	96 Å²	96	38.3 Å²	38.3	51%	0.513	19%	0.193	S	C	.	.	S	Bend	trans	51.8	36.6	177.1	-165	49.6	0	0	0	112.2	K643 R654	D617-K643 PolarHBondContact O-NZ 2.69Å; D617-K643 IonicContact OD1-NZ 3.1Å; D617-K643 IonicContact OD2-NZ 3.43Å; D617-K643 PolarHBondContact OD2-NZ 2.94Å; D617-R654 PolarHBondContact O-NH2 2.9Å
618	L	93.8	Very high	94.7	Very high	13 Å²	13	37.5 Å²	37.5	7%	0.068	19%	0.185	C	C	.	.			trans	-114.6	146.2	165.4	-66.5	178	0	0	0	106.8	D598 I600 I614 K616 P621 D637	D598-L618 HydrophobicContact CB-CB 4.35Å; D598-L618 WeakPolarHBondContact O-CB 3.29Å; D598-L618 WeakPolarHBondContact O-CD1 3.49Å; I600-L618 HydrophobicContact CD1-CD1 4.14Å; I600-L618 HydrophobicContact CD1-CD2 4.49Å; I600-L618 HydrophobicContact CG1-CD1 3.9Å; I614-L618 HydrophobicContact CB-CD1 4.08Å; I614-L618 HydrophobicContact CG2-CD1 3.6Å; I614-L618 HydrophobicContact CG2-CD2 4.45Å; I614-L618 HydrophobicContact CG2-CG 3.91Å; K616-L618 PolarHBondContact O-N 3.42Å; L618-P621 HydrophobicContact CB-CG 4.4Å; L618-P621 HydrophobicContact CD1-CG 4.5Å; L618-P621 HydrophobicContact CD2-CB 4.43Å; L618-D637 WeakPolarHBondContact CA-OD2 3.43Å
619	D	91.6	Very high	94.4	Very high	31 Å²	31	37.1 Å²	37.1	17%	0.166	18%	0.184	C	C	.	.	S	Bend	trans	-138.6	-49.1	-178.7	-159.1	15.6	0	0	0	111.4	K285 Y287 D637 A640	K285-D619 PolarHBondContact NZ-O 3.05Å; K285-D619 IonicContact NZ-OD1 3.83Å; K285-D619 PolarHBondContact NZ-OD1 2.97Å; Y287-D619 WeakPolarHBondContact CE1-OD1 3.46Å; Y287-D619 WeakPolarHBondContact CE1-OD2 3.26Å; Y287-D619 VanDerWaalsContact CZ-CG 3.47Å; Y287-D619 PolarHBondContact OH-OD1 3.24Å; Y287-D619 PolarHBondContact OH-OD2 3.25Å; Y287-D619 VanDerWaalsContact OH-OD2 3.08Å; D619-D637 PolarHBondContact N-OD2 2.83Å; D619-D637 VanDerWaalsContact N-OD2 3.1Å; D619-A640 WeakPolarHBondContact OD2-CB 3.25Å; D619-A640 PolarHBondContact OD2-N 2.76Å
620	E	93.1	Very high	94.1	Very high	19 Å²	19	33.9 Å²	33.9	9%	0.089	17%	0.17	C	C	.	.	S	Bend	trans	-136.2	64.9	171	-58.5	-72	140.8	0	0	110.4	K285 Y287 T595 R622 D637 W638	K285-E620 WeakPolarHBondContact CE-OE1 3.4Å; K285-E620 IonicContact NZ-OE1 3.82Å; K285-E620 PolarHBondContact NZ-OE1 2.65Å; Y287-E620 PolarHBondContact OH-OE1 3.07Å; T595-E620 HydrophobicContact CG2-CB 4.18Å; T595-E620 WeakPolarHBondContact CG2-OE2 3.41Å; E620-R622 PolarHBondContact O-N 3.46Å; E620-D637 PolarHBondContact N-OD1 2.99Å; E620-D637 WeakPolarHBondContact O-CA 3.32Å; E620-W638 HydrophobicContact CB-CD2 3.83Å; E620-W638 VanDerWaalsContact CB-CE2 3.45Å; E620-W638 HydrophobicContact CB-CG 4.01Å; E620-W638 HydrophobicContact CB-CZ2 3.84Å; E620-W638 HydrophobicContact CG-CD2 4.29Å; E620-W638 HydrophobicContact CG-CH2 4.14Å; E620-W638 HydrophobicContact CG-CZ2 3.88Å; E620-W638 HydrophobicContact CG-CZ3 4.47Å; E620-W638 PolarHBondContact O-N 3Å; E620-W638 PolarHBondContact O-NE1 2.97Å; E620-W638 VanDerWaalsContact OE2-CZ2 3.29Å; E620-W638 WeakPolarHBondContact OE2-CZ2 3.46Å
621	P	96.7	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.5	178.6	28.8	-35.6	0	0	0	110.4	T593 T595 L618 T636	T593-P621 HydrophobicContact CG2-CB 4.02Å; T595-P621 PolarHBondContact OG1-O 2.88Å; L618-P621 HydrophobicContact CB-CG 4.4Å; L618-P621 HydrophobicContact CD1-CG 4.5Å; L618-P621 HydrophobicContact CD2-CB 4.43Å; P621-T636 CarbonylContact C-O 3.6Å; P621-T636 VanDerWaalsContact CA-O 3.31Å; P621-T636 WeakPolarHBondContact CA-O 3.33Å
622	R	95.8	Very high	93.6	Very high	23 Å²	23	28.8 Å²	28.8	9%	0.087	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-89	-175.4	-177.8	168	-75.4	163.2	-0	113.5	D579 G580 T593 E620 T636 W638 N665	D579-R622 HydrophobicContact CB-CG 4.26Å; D579-R622 IonicContact OD2-CZ 2.86Å; D579-R622 IonicContact OD2-NE 3.8Å; D579-R622 PolarHBondContact OD2-NE 3.07Å; D579-R622 IonicContact OD2-NH2 3.38Å; G580-R622 VanDerWaalsContact CA-O 3.27Å; G580-R622 WeakPolarHBondContact CA-O 3.24Å; G580-R622 PolarHBondContact N-O 2.95Å; T593-R622 WeakPolarHBondContact CB-O 3.4Å; T593-R622 PolarHBondContact OG1-O 3.1Å; E620-R622 PolarHBondContact O-N 3.46Å; R622-T636 PolarHBondContact N-O 2.99Å; R622-W638 VanDerWaalsContact NH2-CZ2 3.35Å; R622-N665 WeakPolarHBondContact CD-O 3.18Å; R622-N665 WeakPolarHBondContact CG-O 3.45Å; R622-N665 PolarHBondContact NH1-OD1 3.27Å
623	A	97.9	Very high	93.6	Very high	15 Å²	15	27.1 Å²	27.1	12%	0.124	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	151.1	-176.5	0	0	0	0	0	110.9	W635 T636 N665 L667	A623-W635 CarbonylContact O-C 3.43Å; A623-W635 WeakPolarHBondContact O-CA 3.33Å; A623-W635 VanDerWaalsContact O-CB 3.32Å; A623-W635 WeakPolarHBondContact O-CB 3.42Å; A623-T636 PolarHBondContact N-OG1 3.46Å; A623-T636 PolarHBondContact O-N 2.8Å; A623-N665 VanDerWaalsContact CB-O 3.27Å; A623-N665 WeakPolarHBondContact CB-O 3.31Å; A623-L667 VanDerWaalsContact C-CD2 3.43Å; A623-L667 HydrophobicContact CB-CB 4.43Å; A623-L667 HydrophobicContact CB-CD2 3.68Å; A623-L667 HydrophobicContact CB-CG 3.88Å; A623-L667 WeakPolarHBondContact O-CD2 3.05Å
624	I	98.4	Very high	93.7	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.8	175.1	-177.1	164.2	0	0	0	109.9	A582 T593 I600 F634 W635	A582-I624 HydrophobicContact CB-CG1 4.21Å; A582-I624 HydrophobicContact CB-CG2 3.97Å; T593-I624 HydrophobicContact CG2-CB 3.92Å; T593-I624 HydrophobicContact CG2-CD1 4.37Å; T593-I624 HydrophobicContact CG2-CG2 4.16Å; I600-I624 HydrophobicContact CG2-CD1 3.95Å; I624-F634 CarbonylContact C-O 3.6Å; I624-F634 VanDerWaalsContact CA-O 3.26Å; I624-F634 WeakPolarHBondContact CA-O 3.18Å; I624-W635 HydrophobicContact CB-CB 4.4Å
625	T	97.8	Very high	93.8	Very high	18 Å²	18	25.4 Å²	25.4	11%	0.11	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.8	171.7	-155.4	0	0	0	0	110.1	M633 F634 L667 A669 L676	T625-M633 WeakPolarHBondContact O-CA 3.45Å; T625-F634 HydrophobicContact CG2-CB 4.13Å; T625-F634 HydrophobicContact CG2-CD2 3.84Å; T625-F634 HydrophobicContact CG2-CG 4.38Å; T625-F634 PolarHBondContact N-O 2.99Å; T625-F634 PolarHBondContact O-N 3.06Å; T625-L667 HydrophobicContact CG2-CD1 3.21Å; T625-A669 HydrophobicContact CG2-CB 3.68Å; T625-L676 HydrophobicContact CG2-CD1 4.12Å
626	L	96.4	Very high	94	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.7	-175.4	-53	171.7	0	0	0	110.9	A582 D584 Y591 M633 M649	A582-L626 HydrophobicContact CB-CD1 3.76Å; A582-L626 HydrophobicContact CB-CD2 4.36Å; A582-L626 HydrophobicContact CB-CG 3.63Å; D584-L626 HydrophobicContact CB-CD1 4.19Å; Y591-L626 HydrophobicContact CD1-CD2 4.43Å; Y591-L626 HydrophobicContact CD2-CD1 3.48Å; Y591-L626 VanDerWaalsContact CD2-CD1 3.48Å; Y591-L626 HydrophobicContact CD2-CD2 4.29Å; Y591-L626 HydrophobicContact CE2-CD1 4.04Å; Y591-L626 HydrophobicContact CG-CD1 4.04Å; Y591-L626 HydrophobicContact CG-CD2 4.15Å; L626-M633 HydrophobicContact CD2-CB 3.37Å; L626-M649 HydrophobicContact CB-CE 4.47Å; L626-M649 HydrophobicContact CD1-CE 4.08Å; L626-M649 HydrophobicContact CD2-CE 4.33Å; L626-M649 HydrophobicContact CD2-CG 4.47Å
627	D	93.9	Very high	94.1	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	93.2	159.6	-174.6	-31.5	0	0	0	108.1	A629 C630 G631 V632 L671 H674 Y691	D627-A629 PolarHBondContact O-N 3.2Å; D627-A629 WeakPolarHBondContact OD1-CB 3.41Å; D627-A629 PolarHBondContact OD1-N 2.9Å; D627-A629 VanDerWaalsContact OD1-N 3.13Å; D627-C630 HydrophobicContact CB-CB 4.4Å; D627-C630 PolarHBondContact O-N 2.02Å; D627-C630 PolarHBondContact OD1-N 2.77Å; D627-G631 PolarHBondContact O-N 2.72Å; D627-V632 HydrophobicContact CB-CG2 3.84Å; D627-V632 PolarHBondContact N-O 3.06Å; D627-V632 PolarHBondContact O-N 3.38Å; D627-L671 HydrophobicContact CB-CD2 4.01Å; D627-H674 IonicContact OD2-ND1 3.91Å; D627-Y691 HydrophobicContact CB-CE2 4.22Å; D627-Y691 VanDerWaalsContact OD2-CE2 3.24Å; D627-Y691 WeakPolarHBondContact OD2-CE2 3.46Å; D627-Y691 PolarHBondContact OD2-OH 2.01Å
628	P	92.8	Very high	94.1	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.2	-178.9	-25.2	35.4	0	0	0	113.8	D584 W585 V586 G631	D584-P628 HydrophobicContact CB-CG 4.38Å; D584-P628 WeakPolarHBondContact OD1-CB 3.2Å; W585-P628 HydrophobicContact CE3-CG 4.47Å; W585-P628 HydrophobicContact CH2-CG 4.04Å; W585-P628 HydrophobicContact CZ2-CG 4.26Å; W585-P628 HydrophobicContact CZ3-CG 4.17Å; V586-P628 HydrophobicContact CB-CB 4.13Å; V586-P628 HydrophobicContact CG2-CB 3.88Å; V586-P628 HydrophobicContact CG2-CG 4.48Å; P628-G631 PolarHBondContact O-N 2.75Å
629	A	86.8	Confident	94	Very high	25 Å²	25	9.1 Å²	9.1	21%	0.207	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-39.4	178.8	0	0	0	0	0	111	D627 W764 K767	D627-A629 PolarHBondContact O-N 3.2Å; D627-A629 WeakPolarHBondContact OD1-CB 3.41Å; D627-A629 PolarHBondContact OD1-N 2.9Å; D627-A629 VanDerWaalsContact OD1-N 3.13Å; A629-W764 HydrophobicContact CB-CD2 3.93Å; A629-W764 HydrophobicContact CB-CG 3.82Å; A629-K767 WeakPolarHBondContact O-CE 3.49Å; A629-K767 PolarHBondContact O-NZ 3.24Å
630	C	84.1	Confident	93.7	Very high	10 Å²	10	9.1 Å²	9.1	7%	0.068	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-19.3	174	-72.9	0	0	0	0	113.8	D627 V632 L781 C901	D627-C630 HydrophobicContact CB-CB 4.4Å; D627-C630 PolarHBondContact O-N 2.02Å; D627-C630 PolarHBondContact OD1-N 2.77Å; C630-V632 HydrophobicContact CB-CG2 3.92Å; C630-L781 VanDerWaalsContact O-CD1 3.27Å; C630-L781 WeakPolarHBondContact O-CD1 3.2Å; C630-C901 WeakPolarHBondContact CA-SG 3.17Å; C630-C901 WeakPolarHBondContact CB-SG 3.28Å; C630-C901 WeakPolarHBondContact SG-CB 3.5Å; C630-C901 CovalentContact SG-SG 2.05Å; C630-C901 PolarHBondContact SG-SG 2.02Å
631	G	89	Confident	93.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	36.2	-176.5	0	0	0	0	0	112.7	D627 P628 G648 M649	D627-G631 PolarHBondContact O-N 2.72Å; P628-G631 PolarHBondContact O-N 2.75Å; G631-G648 WeakPolarHBondContact O-CA 3.09Å; G631-M649 VanDerWaalsContact C-CG 3.48Å; G631-M649 PolarHBondContact O-N 3.27Å
632	V	90.6	Very high	93.3	Very high	15 Å²	15	15.9 Å²	15.9	9%	0.091	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.6	-179.2	-64	0	0	0	0	111.5	D627 C630 F634 A647 Y691 L781	D627-V632 HydrophobicContact CB-CG2 3.84Å; D627-V632 PolarHBondContact N-O 3.06Å; D627-V632 PolarHBondContact O-N 3.38Å; C630-V632 HydrophobicContact CB-CG2 3.92Å; V632-F634 HydrophobicContact CB-CE2 4.49Å; V632-F634 HydrophobicContact CB-CZ 4.35Å; V632-F634 HydrophobicContact CG2-CE2 3.74Å; V632-F634 HydrophobicContact CG2-CZ 3.69Å; V632-A647 WeakPolarHBondContact CA-O 3.27Å; V632-Y691 HydrophobicContact CG2-CE2 4.48Å; V632-L781 HydrophobicContact CG1-CB 4.47Å; V632-L781 HydrophobicContact CG1-CD1 4.4Å; V632-L781 HydrophobicContact CG1-CD2 4.47Å
633	M	95.3	Very high	93.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.2	175.9	65.7	-178.8	-174.8	0	0	110.7	Y591 I600 L613 I614 T625 L626 W635 T646 A647 M649	Y591-M633 HydrophobicContact CD1-SD 4.26Å; Y591-M633 HydrophobicContact CE1-SD 4.35Å; I600-M633 HydrophobicContact CG2-CE 4.36Å; I600-M633 HydrophobicContact CG2-SD 4.38Å; L613-M633 HydrophobicContact CD1-CE 4.47Å; I614-M633 HydrophobicContact CD1-CE 3.58Å; I614-M633 HydrophobicContact CG1-CE 4.31Å; T625-M633 WeakPolarHBondContact O-CA 3.45Å; L626-M633 HydrophobicContact CD2-CB 3.37Å; M633-W635 HydrophobicContact CE-CZ3 3.97Å; M633-W635 HydrophobicContact CG-CE3 4.29Å; M633-W635 HydrophobicContact CG-CZ3 4.07Å; M633-T646 WeakPolarHBondContact O-CA 2.83Å; M633-T646 WeakPolarHBondContact O-CB 3.19Å; M633-T646 PolarHBondContact O-OG1 2.81Å; M633-A647 HydrophobicContact CE-CB 3.96Å; M633-A647 HydrophobicContact CG-CB 4.46Å; M633-A647 PolarHBondContact N-O 2.85Å; M633-A647 PolarHBondContact O-N 3.43Å; M633-A647 VanDerWaalsContact O-N 3.09Å; M633-M649 HydrophobicContact CB-CG 4.31Å
634	F	97.3	Very high	93.2	Very high	1 Å²	1	14.5 Å²	14.5	0%	0.004	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.6	-179.5	-49.4	-90.7	0	0	0	109.6	I624 T625 V632 E645 T646 I657 L667 L676 Y691	I624-F634 CarbonylContact C-O 3.6Å; I624-F634 VanDerWaalsContact CA-O 3.26Å; I624-F634 WeakPolarHBondContact CA-O 3.18Å; T625-F634 HydrophobicContact CG2-CB 4.13Å; T625-F634 HydrophobicContact CG2-CD2 3.84Å; T625-F634 HydrophobicContact CG2-CG 4.38Å; T625-F634 PolarHBondContact N-O 2.99Å; T625-F634 PolarHBondContact O-N 3.06Å; V632-F634 HydrophobicContact CB-CE2 4.49Å; V632-F634 HydrophobicContact CB-CZ 4.35Å; V632-F634 HydrophobicContact CG2-CE2 3.74Å; V632-F634 HydrophobicContact CG2-CZ 3.69Å; F634-E645 VanDerWaalsContact CA-O 3.29Å; F634-E645 WeakPolarHBondContact CA-O 3.5Å; F634-T646 VanDerWaalsContact CD1-CB 3.45Å; F634-T646 HydrophobicContact CD1-CG2 4.46Å; F634-T646 WeakPolarHBondContact CD1-OG1 3.31Å; F634-T646 HydrophobicContact CE1-CG2 4.36Å; F634-T646 VanDerWaalsContact CE1-OG1 3.22Å; F634-T646 WeakPolarHBondContact CE1-OG1 3.44Å; F634-I657 HydrophobicContact CD1-CD1 3.46Å; F634-I657 VanDerWaalsContact CD1-CD1 3.46Å; F634-I657 HydrophobicContact CE1-CD1 3.81Å; F634-L667 HydrophobicContact CB-CD1 3.97Å; F634-L676 HydrophobicContact CB-CD1 4.06Å; F634-L676 HydrophobicContact CB-CD2 4.49Å; F634-L676 HydrophobicContact CD1-CD1 4.32Å; F634-L676 HydrophobicContact CD1-CD2 4.27Å; F634-L676 HydrophobicContact CD2-CD1 4.24Å; F634-L676 HydrophobicContact CG-CD1 3.95Å; F634-Y691 HydrophobicContact CE1-CD1 4.16Å; F634-Y691 HydrophobicContact CE1-CG 4.01Å; F634-Y691 HydrophobicContact CE2-CD1 4.21Å; F634-Y691 HydrophobicContact CE2-CD2 4.35Å; F634-Y691 HydrophobicContact CE2-CE1 4.14Å; F634-Y691 HydrophobicContact CE2-CE2 4.27Å; F634-Y691 HydrophobicContact CE2-CG 4.32Å; F634-Y691 AromaticContact CZ-CD1 3.64Å; F634-Y691 HydrophobicContact CZ-CD1 3.64Å; F634-Y691 AromaticContact CZ-CD2 3.66Å; F634-Y691 HydrophobicContact CZ-CD2 3.66Å; F634-Y691 HydrophobicContact CZ-CE1 4.03Å; F634-Y691 HydrophobicContact CZ-CE2 4.03Å; F634-Y691 AromaticContact CZ-CG 3.44Å; F634-Y691 HydrophobicContact CZ-CG 3.44Å; F634-Y691 VanDerWaalsContact CZ-CG 3.44Å
635	W	98.1	Very high	93.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.6	177.4	67.5	94.4	0	0	0	112.6	T593 I600 I614 A623 I624 M633 I644 E645 A647 R654 L667	T593-W635 HydrophobicContact CG2-CB 4.34Å; I600-W635 HydrophobicContact CD1-CB 4.15Å; I600-W635 HydrophobicContact CD1-CD2 3.43Å; I600-W635 VanDerWaalsContact CD1-CD2 3.43Å; I600-W635 HydrophobicContact CD1-CE3 3.94Å; I600-W635 HydrophobicContact CD1-CG 3.52Å; I600-W635 HydrophobicContact CD1-CZ2 4.31Å; I614-W635 HydrophobicContact CD1-CH2 3.48Å; I614-W635 VanDerWaalsContact CD1-CH2 3.48Å; I614-W635 HydrophobicContact CD1-CZ2 3.77Å; I614-W635 HydrophobicContact CD1-CZ3 4.05Å; A623-W635 CarbonylContact O-C 3.43Å; A623-W635 WeakPolarHBondContact O-CA 3.33Å; A623-W635 VanDerWaalsContact O-CB 3.32Å; A623-W635 WeakPolarHBondContact O-CB 3.42Å; I624-W635 HydrophobicContact CB-CB 4.4Å; M633-W635 HydrophobicContact CE-CZ3 3.97Å; M633-W635 HydrophobicContact CG-CE3 4.29Å; M633-W635 HydrophobicContact CG-CZ3 4.07Å; W635-I644 WeakPolarHBondContact O-CG2 3.23Å; W635-E645 HydrophobicContact CD2-CB 4.02Å; W635-E645 HydrophobicContact CE3-CB 4.48Å; W635-E645 HydrophobicContact CH2-CB 3.87Å; W635-E645 HydrophobicContact CZ2-CB 3.32Å; W635-E645 HydrophobicContact CZ2-CG 4.2Å; W635-E645 HydrophobicContact CZ3-CB 4.42Å; W635-E645 PolarHBondContact N-O 2.88Å; W635-E645 PolarHBondContact NE1-OE2 2.64Å; W635-E645 PolarHBondContact O-N 3.13Å; W635-A647 HydrophobicContact CH2-CB 3.75Å; W635-A647 HydrophobicContact CZ3-CB 3.73Å; W635-R654 HydrophobicContact CH2-CG 3.94Å; W635-R654 HydrophobicContact CZ2-CG 4.17Å; W635-L667 VanDerWaalsContact CA-CD2 3.47Å
636	T	98	Very high	92.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.1	171.1	59.3	0	0	0	0	110.8	P621 R622 A623 I644 P664 L667	P621-T636 CarbonylContact C-O 3.6Å; P621-T636 VanDerWaalsContact CA-O 3.31Å; P621-T636 WeakPolarHBondContact CA-O 3.33Å; R622-T636 PolarHBondContact N-O 2.99Å; A623-T636 PolarHBondContact N-OG1 3.46Å; A623-T636 PolarHBondContact O-N 2.8Å; T636-I644 HydrophobicContact CG2-CD1 4.21Å; T636-I644 HydrophobicContact CG2-CG1 4.06Å; T636-I644 HydrophobicContact CG2-CG2 4.47Å; T636-P664 WeakPolarHBondContact CB-O 2.79Å; T636-P664 HydrophobicContact CG2-CB 3.71Å; T636-P664 HydrophobicContact CG2-CG 4.4Å; T636-P664 PolarHBondContact OG1-O 2.97Å; T636-L667 HydrophobicContact CG2-CB 4.07Å; T636-L667 HydrophobicContact CG2-CD2 3.56Å; T636-L667 HydrophobicContact CG2-CG 4.4Å
637	D	96.6	Very high	92.6	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.3	172.2	-175.5	-20.1	0	0	0	107.9	L618 D619 E620 G639 P642 K643 P664	L618-D637 WeakPolarHBondContact CA-OD2 3.43Å; D619-D637 PolarHBondContact N-OD2 2.83Å; D619-D637 VanDerWaalsContact N-OD2 3.1Å; E620-D637 PolarHBondContact N-OD1 2.99Å; E620-D637 WeakPolarHBondContact O-CA 3.32Å; D637-G639 PolarHBondContact OD1-N 2.91Å; D637-P642 CarbonylContact O-C 3.6Å; D637-P642 WeakPolarHBondContact O-CA 3.34Å; D637-K643 HydrophobicContact CB-CG 4.14Å; D637-K643 PolarHBondContact N-O 3.12Å; D637-K643 PolarHBondContact O-N 3.15Å; D637-K643 VanDerWaalsContact O-O 3.12Å; D637-P664 WeakPolarHBondContact O-CG 3.05Å
638	W	93.4	Very high	92.4	Very high	22 Å²	22	13.9 Å²	13.9	8%	0.083	8%	0.076	C	C	.	.			trans	-115.5	11.4	-176	65.2	-84.2	0	0	0	113.8	E620 R622 W663 P664	E620-W638 HydrophobicContact CB-CD2 3.83Å; E620-W638 VanDerWaalsContact CB-CE2 3.45Å; E620-W638 HydrophobicContact CB-CG 4.01Å; E620-W638 HydrophobicContact CB-CZ2 3.84Å; E620-W638 HydrophobicContact CG-CD2 4.29Å; E620-W638 HydrophobicContact CG-CH2 4.14Å; E620-W638 HydrophobicContact CG-CZ2 3.88Å; E620-W638 HydrophobicContact CG-CZ3 4.47Å; E620-W638 PolarHBondContact O-N 3Å; E620-W638 PolarHBondContact O-NE1 2.97Å; E620-W638 VanDerWaalsContact OE2-CZ2 3.29Å; E620-W638 WeakPolarHBondContact OE2-CZ2 3.46Å; R622-W638 VanDerWaalsContact NH2-CZ2 3.35Å; W638-W663 AromaticContact CD2-CD1 3.91Å; W638-W663 AromaticContact CD2-NE1 3.51Å; W638-W663 AromaticContact CE3-NE1 3.57Å; W638-W663 AromaticContact CG-CD1 3.73Å; W638-W663 AromaticContact CG-NE1 3.78Å; W638-W663 HydrophobicContact CZ3-CZ2 4.46Å; W638-P664 HydrophobicContact CB-CG 4.35Å
639	G	89.8	Confident	92.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-73.3	-139.7	-175.1	0	0	0	0	0	114.2	N298 D637 K641 P642	N298-G639 PolarHBondContact ND2-O 3.15Å; D637-G639 PolarHBondContact OD1-N 2.91Å; G639-K641 PolarHBondContact O-N 3.31Å; G639-K641 VanDerWaalsContact O-N 3.14Å; G639-P642 WeakPolarHBondContact O-CD 3.28Å; G639-P642 WeakPolarHBondContact O-CG 3.49Å
640	A	86.8	Confident	92.6	Very high	31 Å²	31	13.3 Å²	13.3	26%	0.256	7%	0.07	S	C	.	.	S	Bend	trans	-57.1	-35	-176.7	0	0	0	0	0	113.2	Y287 K300 D619	Y287-A640 HydrophobicContact CD1-CB 3.68Å; Y287-A640 HydrophobicContact CD2-CB 4.05Å; Y287-A640 HydrophobicContact CE1-CB 3.98Å; Y287-A640 HydrophobicContact CE2-CB 4.36Å; Y287-A640 HydrophobicContact CG-CB 3.71Å; K300-A640 PolarHBondContact NZ-O 3.37Å; D619-A640 WeakPolarHBondContact OD2-CB 3.25Å; D619-A640 PolarHBondContact OD2-N 2.76Å
641	K	89.1	Confident	92.9	Very high	144 Å²	144	13.9 Å²	13.9	63%	0.626	8%	0.077	S	C	*	.	S	Bend	trans	-125.7	81.6	178.2	-64.2	178.8	-170.9	166.9	0	110	G639 K643	G639-K641 PolarHBondContact O-N 3.31Å; G639-K641 VanDerWaalsContact O-N 3.14Å; K641-K643 WeakPolarHBondContact O-CG 3.48Å; K641-K643 PolarHBondContact O-N 3.18Å
642	P	91.8	Very high	92.9	Very high	16 Å²	16	16.4 Å²	16.4	10%	0.104	9%	0.093	C	C	.	.			trans	-58.9	135.9	-178.6	-21.9	32.6	0	0	0	111.3	D637 G639 A661 I662	D637-P642 CarbonylContact O-C 3.6Å; D637-P642 WeakPolarHBondContact O-CA 3.34Å; G639-P642 WeakPolarHBondContact O-CD 3.28Å; G639-P642 WeakPolarHBondContact O-CG 3.49Å; P642-A661 WeakPolarHBondContact CB-O 3.39Å; P642-I662 VanDerWaalsContact CB-O 3.32Å; P642-I662 WeakPolarHBondContact CB-O 3.48Å; P642-I662 VanDerWaalsContact CG-O 3.25Å; P642-I662 WeakPolarHBondContact CG-O 3.37Å
643	K	94.7	Very high	92.5	Very high	10 Å²	10	20 Å²	20	4%	0.043	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	161.1	-173.8	57.2	-167	172.2	-177.2	0	110.9	D617 D637 K641 E645 I656 E658	D617-K643 PolarHBondContact O-NZ 2.69Å; D617-K643 IonicContact OD1-NZ 3.1Å; D617-K643 IonicContact OD2-NZ 3.43Å; D617-K643 PolarHBondContact OD2-NZ 2.94Å; D637-K643 HydrophobicContact CB-CG 4.14Å; D637-K643 PolarHBondContact N-O 3.12Å; D637-K643 PolarHBondContact O-N 3.15Å; D637-K643 VanDerWaalsContact O-O 3.12Å; K641-K643 WeakPolarHBondContact O-CG 3.48Å; K641-K643 PolarHBondContact O-N 3.18Å; K643-E645 HydrophobicContact CD-CG 4.05Å; K643-E645 WeakPolarHBondContact CE-OE2 3.34Å; K643-E645 HydrophobicContact CG-CG 4.03Å; K643-E645 IonicContact NZ-OE2 2.72Å; K643-I656 HydrophobicContact CB-CG2 4.21Å; K643-I656 HydrophobicContact CD-CD1 4.35Å; K643-I656 HydrophobicContact CD-CG1 4.42Å; K643-E658 WeakPolarHBondContact CA-O 3.26Å
644	I	96.9	Very high	92.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.7	166.2	-51.9	-174.1	0	0	0	107.3	W635 T636 I657 E658 A661 P664 L676 W678	W635-I644 WeakPolarHBondContact O-CG2 3.23Å; T636-I644 HydrophobicContact CG2-CD1 4.21Å; T636-I644 HydrophobicContact CG2-CG1 4.06Å; T636-I644 HydrophobicContact CG2-CG2 4.47Å; I644-I657 HydrophobicContact CB-CB 4.49Å; I644-I657 HydrophobicContact CG2-CB 4.43Å; I644-I657 PolarHBondContact O-N 3.14Å; I644-E658 HydrophobicContact CB-CB 3.91Å; I644-E658 HydrophobicContact CD1-CB 4.17Å; I644-E658 HydrophobicContact CG1-CB 3.97Å; I644-E658 PolarHBondContact N-O 2.81Å; I644-E658 PolarHBondContact O-N 2.96Å; I644-A661 HydrophobicContact CG1-CB 4.5Å; I644-P664 HydrophobicContact CD1-CB 4.21Å; I644-P664 HydrophobicContact CG1-CB 4.09Å; I644-L676 HydrophobicContact CG2-CD2 4.07Å; I644-W678 HydrophobicContact CD1-CB 3.94Å; I644-W678 HydrophobicContact CD1-CD2 3.56Å; I644-W678 HydrophobicContact CD1-CE3 4.35Å; I644-W678 HydrophobicContact CD1-CG 3.35Å; I644-W678 HydrophobicContact CD1-CZ2 4.44Å
645	E	95.3	Very high	91.7	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.023	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	162.7	-172.4	-70.7	-173	98.5	0	0	111.9	F634 W635 K643 R654 F655 I656	F634-E645 VanDerWaalsContact CA-O 3.29Å; F634-E645 WeakPolarHBondContact CA-O 3.5Å; W635-E645 HydrophobicContact CD2-CB 4.02Å; W635-E645 HydrophobicContact CE3-CB 4.48Å; W635-E645 HydrophobicContact CH2-CB 3.87Å; W635-E645 HydrophobicContact CZ2-CB 3.32Å; W635-E645 HydrophobicContact CZ2-CG 4.2Å; W635-E645 HydrophobicContact CZ3-CB 4.42Å; W635-E645 PolarHBondContact N-O 2.88Å; W635-E645 PolarHBondContact NE1-OE2 2.64Å; W635-E645 PolarHBondContact O-N 3.13Å; K643-E645 HydrophobicContact CD-CG 4.05Å; K643-E645 WeakPolarHBondContact CE-OE2 3.34Å; K643-E645 HydrophobicContact CG-CG 4.03Å; K643-E645 IonicContact NZ-OE2 2.72Å; E645-R654 VanDerWaalsContact CD-NH2 3.28Å; E645-R654 IonicContact OE1-CZ 3.57Å; E645-R654 VanDerWaalsContact OE1-CZ 3.28Å; E645-R654 IonicContact OE1-NE 2.75Å; E645-R654 PolarHBondContact OE1-NE 3.01Å; E645-R654 IonicContact OE1-NH2 3.63Å; E645-R654 PolarHBondContact OE1-NH2 3.35Å; E645-R654 VanDerWaalsContact OE1-NH2 3.08Å; E645-R654 IonicContact OE2-CZ 2.78Å; E645-R654 IonicContact OE2-NE 2.68Å; E645-R654 IonicContact OE2-NH2 3.91Å; E645-R654 PolarHBondContact OE2-NH2 3.33Å; E645-F655 WeakPolarHBondContact CA-O 3.42Å; E645-I656 HydrophobicContact CG-CB 4.42Å; E645-I656 HydrophobicContact CG-CG1 3.81Å
646	T	93.6	Very high	91.4	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.6	172.2	-176.2	0	0	0	0	111.1	M633 F634 R654 F655 I657	M633-T646 WeakPolarHBondContact O-CA 2.83Å; M633-T646 WeakPolarHBondContact O-CB 3.19Å; M633-T646 PolarHBondContact O-OG1 2.81Å; F634-T646 VanDerWaalsContact CD1-CB 3.45Å; F634-T646 HydrophobicContact CD1-CG2 4.46Å; F634-T646 WeakPolarHBondContact CD1-OG1 3.31Å; F634-T646 HydrophobicContact CE1-CG2 4.36Å; F634-T646 VanDerWaalsContact CE1-OG1 3.22Å; F634-T646 WeakPolarHBondContact CE1-OG1 3.44Å; T646-R654 CarbonylContact O-C 3.5Å; T646-R654 VanDerWaalsContact O-CA 3.23Å; T646-R654 WeakPolarHBondContact O-CA 3.38Å; T646-F655 HydrophobicContact CG2-CD1 3.57Å; T646-F655 HydrophobicContact CG2-CD2 3.86Å; T646-F655 HydrophobicContact CG2-CE1 3.14Å; T646-F655 HydrophobicContact CG2-CE2 3.45Å; T646-F655 VanDerWaalsContact CG2-CE2 3.45Å; T646-F655 HydrophobicContact CG2-CG 3.91Å; T646-F655 HydrophobicContact CG2-CZ 3.07Å; T646-F655 PolarHBondContact N-O 3.46Å; T646-F655 PolarHBondContact O-N 3.22Å; T646-I657 HydrophobicContact CG2-CD1 3.83Å; T646-I657 HydrophobicContact CG2-CG1 3.85Å
647	A	91.5	Very high	91	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.025	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	169.7	172.6	0	0	0	0	0	109.1	V632 M633 W635 T652 R654	V632-A647 WeakPolarHBondContact CA-O 3.27Å; M633-A647 HydrophobicContact CE-CB 3.96Å; M633-A647 HydrophobicContact CG-CB 4.46Å; M633-A647 PolarHBondContact N-O 2.85Å; M633-A647 PolarHBondContact O-N 3.43Å; M633-A647 VanDerWaalsContact O-N 3.09Å; W635-A647 HydrophobicContact CH2-CB 3.75Å; W635-A647 HydrophobicContact CZ3-CB 3.73Å; A647-T652 WeakPolarHBondContact CB-O 3.25Å; A647-R654 HydrophobicContact CB-CB 4.14Å
648	G	89.3	Confident	90.8	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	153.4	158.8	0	0	0	0	0	110.3	G631 D650 G651 T652	G631-G648 WeakPolarHBondContact O-CA 3.09Å; G648-D650 PolarHBondContact O-N 3.35Å; G648-G651 PolarHBondContact O-N 2.89Å; G648-T652 PolarHBondContact N-O 3.44Å
649	M	93	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.8	177.6	-73.8	177.3	71.1	0	0	113.6	D584 Y591 L613 L626 G631 M633 I778 P779	D584-M649 HydrophobicContact CB-CE 3.93Å; D584-M649 WeakPolarHBondContact OD2-CE 3.49Å; Y591-M649 HydrophobicContact CD2-CE 4.49Å; Y591-M649 WeakPolarHBondContact CE1-O 3.48Å; Y591-M649 HydrophobicContact CE2-CE 3.61Å; Y591-M649 PolarHBondContact OH-O 2.03Å; Y591-M649 VanDerWaalsContact OH-O 3.12Å; L613-M649 WeakPolarHBondContact CD1-O 3.42Å; L626-M649 HydrophobicContact CB-CE 4.47Å; L626-M649 HydrophobicContact CD1-CE 4.08Å; L626-M649 HydrophobicContact CD2-CE 4.33Å; L626-M649 HydrophobicContact CD2-CG 4.47Å; G631-M649 VanDerWaalsContact C-CG 3.48Å; G631-M649 PolarHBondContact O-N 3.27Å; M633-M649 HydrophobicContact CB-CG 4.31Å; M649-I778 VanDerWaalsContact C-CG2 3.48Å; M649-I778 HydrophobicContact CB-CG2 3.79Å; M649-I778 WeakPolarHBondContact O-CG2 3.47Å; M649-P779 HydrophobicContact CB-CG 4.4Å; M649-P779 HydrophobicContact CE-CG 4.12Å; M649-P779 HydrophobicContact SD-CG 3.74Å
650	D	91	Very high	90.3	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.08	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.5	171.9	62.1	-1.6	0	0	0	113.7	G648 T652 I778 T780 V801 L803	G648-D650 PolarHBondContact O-N 3.35Å; D650-T652 VanDerWaalsContact C-N 3.31Å; D650-T652 VanDerWaalsContact CG-OG1 3.32Å; D650-T652 WeakPolarHBondContact OD1-CB 3.41Å; D650-T652 WeakPolarHBondContact OD1-CG2 2.92Å; D650-T652 PolarHBondContact OD1-N 3.36Å; D650-T652 VanDerWaalsContact OD1-N 3.07Å; D650-T652 PolarHBondContact OD1-OG1 3.33Å; D650-T652 PolarHBondContact OD2-OG1 3.13Å; D650-I778 HydrophobicContact CB-CG2 4.09Å; D650-T780 PolarHBondContact OD2-OG1 3.28Å; D650-V801 HydrophobicContact CB-CG2 3.52Å; D650-L803 HydrophobicContact CB-CD1 4.47Å
651	G	91	Very high	90.3	Very high	21 Å²	21	39.7 Å²	39.7	22%	0.216	20%	0.201	C	C	.	.	S	Bend	trans	81.5	2.6	-177.2	0	0	0	0	0	114.6	G648	G648-G651 PolarHBondContact O-N 2.89Å
652	T	87.5	Confident	90.2	Very high	54 Å²	54	33.1 Å²	33.1	33%	0.331	17%	0.173	S	C	.	.			trans	-88.1	166.4	-179	70.5	0	0	0	0	112.6	A647 G648 D650 R654	A647-T652 WeakPolarHBondContact CB-O 3.25Å; G648-T652 PolarHBondContact N-O 3.44Å; D650-T652 VanDerWaalsContact C-N 3.31Å; D650-T652 VanDerWaalsContact CG-OG1 3.32Å; D650-T652 WeakPolarHBondContact OD1-CB 3.41Å; D650-T652 WeakPolarHBondContact OD1-CG2 2.92Å; D650-T652 PolarHBondContact OD1-N 3.36Å; D650-T652 VanDerWaalsContact OD1-N 3.07Å; D650-T652 PolarHBondContact OD1-OG1 3.33Å; D650-T652 PolarHBondContact OD2-OG1 3.13Å; T652-R654 VanDerWaalsContact C-N 3.28Å; T652-R654 PolarHBondContact O-N 3.41Å
653	N	83	Confident	90.2	Very high	89 Å²	89	33.6 Å²	33.6	48%	0.476	17%	0.172	S	C	.	.	S	Bend	trans	55.4	36.8	175.7	-58.3	-37	0	0	0	114.8	L781	N653-L781 PolarHBondContact ND2-O 2.58Å
654	R	89.1	Confident	90.2	Very high	72 Å²	72	33.1 Å²	33.1	27%	0.272	17%	0.17	S	C	.	.			trans	-61.9	131.6	178.5	179.5	174.8	175.1	-174.3	5.8	112.3	I614 K616 D617 W635 E645 T646 A647 T652	I614-R654 VanDerWaalsContact CG2-NH1 3.34Å; K616-R654 PolarHBondContact O-NH1 3.07Å; D617-R654 PolarHBondContact O-NH2 2.9Å; W635-R654 HydrophobicContact CH2-CG 3.94Å; W635-R654 HydrophobicContact CZ2-CG 4.17Å; E645-R654 VanDerWaalsContact CD-NH2 3.28Å; E645-R654 IonicContact OE1-CZ 3.57Å; E645-R654 VanDerWaalsContact OE1-CZ 3.28Å; E645-R654 IonicContact OE1-NE 2.75Å; E645-R654 PolarHBondContact OE1-NE 3.01Å; E645-R654 IonicContact OE1-NH2 3.63Å; E645-R654 PolarHBondContact OE1-NH2 3.35Å; E645-R654 VanDerWaalsContact OE1-NH2 3.08Å; E645-R654 IonicContact OE2-CZ 2.78Å; E645-R654 IonicContact OE2-NE 2.68Å; E645-R654 IonicContact OE2-NH2 3.91Å; E645-R654 PolarHBondContact OE2-NH2 3.33Å; T646-R654 CarbonylContact O-C 3.5Å; T646-R654 VanDerWaalsContact O-CA 3.23Å; T646-R654 WeakPolarHBondContact O-CA 3.38Å; A647-R654 HydrophobicContact CB-CB 4.14Å; T652-R654 VanDerWaalsContact C-N 3.28Å; T652-R654 PolarHBondContact O-N 3.41Å
655	F	87.1	Confident	90.1	Very high	72 Å²	72	33.2 Å²	33.2	32%	0.316	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.1	170.4	72	-91.3	0	0	0	112.3	E645 T646 I657 F692	E645-F655 WeakPolarHBondContact CA-O 3.42Å; T646-F655 HydrophobicContact CG2-CD1 3.57Å; T646-F655 HydrophobicContact CG2-CD2 3.86Å; T646-F655 HydrophobicContact CG2-CE1 3.14Å; T646-F655 HydrophobicContact CG2-CE2 3.45Å; T646-F655 VanDerWaalsContact CG2-CE2 3.45Å; T646-F655 HydrophobicContact CG2-CG 3.91Å; T646-F655 HydrophobicContact CG2-CZ 3.07Å; T646-F655 PolarHBondContact N-O 3.46Å; T646-F655 PolarHBondContact O-N 3.22Å; F655-I657 HydrophobicContact CE2-CG1 4.03Å; F655-F692 HydrophobicContact CE1-CD1 4.2Å; F655-F692 HydrophobicContact CE1-CE1 4.39Å; F655-F692 HydrophobicContact CE2-CD1 4.27Å; F655-F692 AromaticContact CZ-CD1 3.51Å; F655-F692 HydrophobicContact CZ-CD1 3.51Å; F655-F692 HydrophobicContact CZ-CE1 4.09Å; F655-F692 HydrophobicContact CZ-CG 4.37Å
656	I	91.5	Very high	90.1	Very high	56 Å²	56	33 Å²	33	29%	0.287	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.9	-178.9	-61.3	162.5	0	0	0	109.6	K643 E645 E658 H659	K643-I656 HydrophobicContact CB-CG2 4.21Å; K643-I656 HydrophobicContact CD-CD1 4.35Å; K643-I656 HydrophobicContact CD-CG1 4.42Å; E645-I656 HydrophobicContact CG-CB 4.42Å; E645-I656 HydrophobicContact CG-CG1 3.81Å; I656-E658 VanDerWaalsContact CG2-O 3.29Å; I656-E658 WeakPolarHBondContact CG2-O 3.41Å; I656-H659 VanDerWaalsContact CG2-CE1 3.46Å; I656-H659 WeakPolarHBondContact CG2-CE1 3.18Å
657	I	90	Very high	90.3	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-43.2	175.6	-67.8	179.9	0	0	0	110.6	F634 I644 T646 F655 L676	F634-I657 HydrophobicContact CD1-CD1 3.46Å; F634-I657 VanDerWaalsContact CD1-CD1 3.46Å; F634-I657 HydrophobicContact CE1-CD1 3.81Å; I644-I657 HydrophobicContact CB-CB 4.49Å; I644-I657 HydrophobicContact CG2-CB 4.43Å; I644-I657 PolarHBondContact O-N 3.14Å; T646-I657 HydrophobicContact CG2-CD1 3.83Å; T646-I657 HydrophobicContact CG2-CG1 3.85Å; F655-I657 HydrophobicContact CE2-CG1 4.03Å; I657-L676 HydrophobicContact CD1-CD2 3.96Å; I657-L676 HydrophobicContact CG2-CD2 4.49Å
658	E	91.7	Very high	90.6	Very high	13 Å²	13	33.7 Å²	33.7	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.5	-174.3	180	59.1	-109.3	0	0	110.3	K643 I644 I656 D660 A661 W678 K696	K643-E658 WeakPolarHBondContact CA-O 3.26Å; I644-E658 HydrophobicContact CB-CB 3.91Å; I644-E658 HydrophobicContact CD1-CB 4.17Å; I644-E658 HydrophobicContact CG1-CB 3.97Å; I644-E658 PolarHBondContact N-O 2.81Å; I644-E658 PolarHBondContact O-N 2.96Å; I656-E658 VanDerWaalsContact CG2-O 3.29Å; I656-E658 WeakPolarHBondContact CG2-O 3.41Å; E658-D660 WeakPolarHBondContact OE1-CB 3.21Å; E658-D660 PolarHBondContact OE1-N 3.13Å; E658-A661 HydrophobicContact CG-CB 3.95Å; E658-W678 HydrophobicContact CG-CZ2 4.29Å; E658-K696 IonicContact OE1-NZ 3.33Å; E658-K696 PolarHBondContact OE1-NZ 3.35Å; E658-K696 VanDerWaalsContact OE2-CD 3.24Å; E658-K696 WeakPolarHBondContact OE2-CD 3.23Å; E658-K696 WeakPolarHBondContact OE2-CE 3Å; E658-K696 IonicContact OE2-NZ 3.72Å; E658-K696 PolarHBondContact OE2-NZ 3.24Å
659	H	87.2	Confident	90.9	Very high	130 Å²	130	34 Å²	34	60%	0.602	18%	0.176	S	C	*	.	S	Bend	trans	-100.5	-22.6	179.3	-70	-73.8	0	0	0	113.1	I656	I656-H659 VanDerWaalsContact CG2-CE1 3.46Å; I656-H659 WeakPolarHBondContact CG2-CE1 3.18Å
660	D	84.7	Confident	91	Very high	104 Å²	104	34.7 Å²	34.7	56%	0.556	18%	0.18	S	C	*	.	S	Bend	trans	-100.1	16.6	-173.2	-57.4	-37	0	0	0	112.3	E658	E658-D660 WeakPolarHBondContact OE1-CB 3.21Å; E658-D660 PolarHBondContact OE1-N 3.13Å
661	A	87.8	Confident	91	Very high	9 Å²	9	34.9 Å²	34.9	7%	0.074	18%	0.181	C	C	.	.			trans	-67.6	151.9	170.8	0	0	0	0	0	110.1	P642 I644 E658 P664	P642-A661 WeakPolarHBondContact CB-O 3.39Å; I644-A661 HydrophobicContact CG1-CB 4.5Å; E658-A661 HydrophobicContact CG-CB 3.95Å; A661-P664 HydrophobicContact CB-CB 4.17Å; A661-P664 HydrophobicContact CB-CG 3.95Å
662	I	86.9	Confident	90.7	Very high	7 Å²	7	35 Å²	35	4%	0.036	18%	0.176	C	C	.	.	S	Bend	trans	-119.8	-52.1	176.2	-59.5	-170.6	0	0	0	110.6	F301 L325 P642 D680 K682 L683	F301-I662 HydrophobicContact CE1-CG2 3.46Å; F301-I662 VanDerWaalsContact CE1-CG2 3.46Å; F301-I662 HydrophobicContact CZ-CG2 3.89Å; L325-I662 HydrophobicContact CB-CD1 4.48Å; P642-I662 VanDerWaalsContact CB-O 3.32Å; P642-I662 WeakPolarHBondContact CB-O 3.48Å; P642-I662 VanDerWaalsContact CG-O 3.25Å; P642-I662 WeakPolarHBondContact CG-O 3.37Å; I662-D680 PolarHBondContact N-OD2 2.71Å; I662-K682 HydrophobicContact CB-CB 4.06Å; I662-K682 HydrophobicContact CB-CG 4.33Å; I662-K682 HydrophobicContact CG2-CB 3.69Å; I662-K682 HydrophobicContact CG2-CG 3.59Å; I662-L683 HydrophobicContact CB-CG 4.18Å; I662-L683 HydrophobicContact CD1-CD2 3.44Å; I662-L683 VanDerWaalsContact CD1-CD2 3.44Å; I662-L683 HydrophobicContact CD1-CG 4.04Å; I662-L683 HydrophobicContact CG1-CD1 4.17Å; I662-L683 HydrophobicContact CG1-CD2 3.95Å; I662-L683 HydrophobicContact CG1-CG 3.99Å
663	W	90.7	Very high	90.5	Very high	25 Å²	25	35.1 Å²	35.1	10%	0.095	17%	0.173	C	C	.	.			trans	-136.8	69.7	176.6	-158.2	-12.6	0	0	0	111.2	F301 W638 N665 D680 A681 K682 H708	F301-W663 HydrophobicContact CD2-CE3 4.34Å; F301-W663 HydrophobicContact CD2-CZ3 4.19Å; F301-W663 HydrophobicContact CE2-CD2 4.14Å; F301-W663 AromaticContact CE2-CE3 3.72Å; F301-W663 HydrophobicContact CE2-CE3 3.72Å; F301-W663 AromaticContact CE2-CZ3 3.96Å; F301-W663 HydrophobicContact CE2-CZ3 3.96Å; F301-W663 HydrophobicContact CZ-CD2 4.46Å; F301-W663 HydrophobicContact CZ-CE3 4.14Å; W638-W663 AromaticContact CD2-CD1 3.91Å; W638-W663 AromaticContact CD2-NE1 3.51Å; W638-W663 AromaticContact CE3-NE1 3.57Å; W638-W663 AromaticContact CG-CD1 3.73Å; W638-W663 AromaticContact CG-NE1 3.78Å; W638-W663 HydrophobicContact CZ3-CZ2 4.46Å; W663-N665 PolarHBondContact NE1-OD1 2.7Å; W663-N665 VanDerWaalsContact NE1-OD1 3.12Å; W663-N665 PolarHBondContact O-N 3.03Å; W663-N665 VanDerWaalsContact O-N 3.08Å; W663-D680 PolarHBondContact N-OD1 2.71Å; W663-D680 VanDerWaalsContact N-OD1 3.12Å; W663-D680 PolarHBondContact N-OD2 3.19Å; W663-D680 CarbonylContact O-C 3.24Å; W663-D680 WeakPolarHBondContact O-CA 3.36Å; W663-A681 HydrophobicContact CB-CB 4.4Å; W663-A681 HydrophobicContact CD2-CB 4.48Å; W663-A681 HydrophobicContact CG-CB 4.3Å; W663-A681 PolarHBondContact O-N 2.59Å; W663-K682 HydrophobicContact CB-CB 3.64Å; W663-K682 HydrophobicContact CE3-CB 4.37Å; W663-H708 AromaticContact CH2-CE1 3.66Å; W663-H708 AromaticContact CZ2-CE1 3.98Å; W663-H708 AromaticContact CZ3-CE1 3.77Å
664	P	95.5	Very high	90.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	99.9	-177.5	32.1	-37.2	0	0	0	111.2	T636 D637 W638 I644 A661	T636-P664 WeakPolarHBondContact CB-O 2.79Å; T636-P664 HydrophobicContact CG2-CB 3.71Å; T636-P664 HydrophobicContact CG2-CG 4.4Å; T636-P664 PolarHBondContact OG1-O 2.97Å; D637-P664 WeakPolarHBondContact O-CG 3.05Å; W638-P664 HydrophobicContact CB-CG 4.35Å; I644-P664 HydrophobicContact CD1-CB 4.21Å; I644-P664 HydrophobicContact CG1-CB 4.09Å; A661-P664 HydrophobicContact CB-CB 4.17Å; A661-P664 HydrophobicContact CB-CG 3.95Å
665	N	94.2	Very high	90.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-48.3	-173	-84.9	-4.6	0	0	0	113.9	R622 A623 W663 V679 A681 H708 P709 F710	R622-N665 WeakPolarHBondContact CD-O 3.18Å; R622-N665 WeakPolarHBondContact CG-O 3.45Å; R622-N665 PolarHBondContact NH1-OD1 3.27Å; A623-N665 VanDerWaalsContact CB-O 3.27Å; A623-N665 WeakPolarHBondContact CB-O 3.31Å; W663-N665 PolarHBondContact NE1-OD1 2.7Å; W663-N665 VanDerWaalsContact NE1-OD1 3.12Å; W663-N665 PolarHBondContact O-N 3.03Å; W663-N665 VanDerWaalsContact O-N 3.08Å; N665-V679 HydrophobicContact CB-CG2 4.31Å; N665-V679 PolarHBondContact N-O 2.71Å; N665-V679 VanDerWaalsContact N-O 3.14Å; N665-A681 VanDerWaalsContact ND2-CB 3.27Å; N665-A681 WeakPolarHBondContact ND2-CB 3.48Å; N665-H708 PolarHBondContact ND2-NE2 3.45Å; N665-P709 WeakPolarHBondContact CB-O 3.41Å; N665-P709 PolarHBondContact ND2-O 3.35Å; N665-F710 CarbonylContact C-O 3.5Å; N665-F710 VanDerWaalsContact C-O 3.31Å
666	G	96.8	Very high	91.2	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.7	-170.9	0	0	0	0	0	111.5	W678 V679 F710	G666-W678 CarbonylContact O-C 3.44Å; G666-W678 WeakPolarHBondContact O-CA 3.43Å; G666-W678 WeakPolarHBondContact O-CB 3.41Å; G666-V679 VanDerWaalsContact N-CG2 3.29Å; G666-V679 PolarHBondContact O-N 3.08Å; G666-F710 WeakPolarHBondContact CA-O 3.29Å; G666-F710 PolarHBondContact N-O 2.83Å
667	L	97.7	Very high	91.5	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.7	178	79.1	100.6	0	0	0	111.6	A623 T625 F634 W635 T636 L676 Y677 W678	A623-L667 VanDerWaalsContact C-CD2 3.43Å; A623-L667 HydrophobicContact CB-CB 4.43Å; A623-L667 HydrophobicContact CB-CD2 3.68Å; A623-L667 HydrophobicContact CB-CG 3.88Å; A623-L667 WeakPolarHBondContact O-CD2 3.05Å; T625-L667 HydrophobicContact CG2-CD1 3.21Å; F634-L667 HydrophobicContact CB-CD1 3.97Å; W635-L667 VanDerWaalsContact CA-CD2 3.47Å; T636-L667 HydrophobicContact CG2-CB 4.07Å; T636-L667 HydrophobicContact CG2-CD2 3.56Å; T636-L667 HydrophobicContact CG2-CG 4.4Å; L667-L676 HydrophobicContact CD1-CD1 3.91Å; L667-Y677 CarbonylContact C-O 3.41Å; L667-Y677 VanDerWaalsContact CA-O 3.28Å; L667-Y677 WeakPolarHBondContact CA-O 3.38Å; L667-W678 HydrophobicContact CB-CB 4.15Å
668	T	97.9	Very high	91.8	Very high	12 Å²	12	23.4 Å²	23.4	7%	0.074	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.3	176	-167.3	0	0	0	0	111	Y677 I712 V714	T668-Y677 PolarHBondContact N-O 3.3Å; T668-Y677 PolarHBondContact O-N 2.72Å; T668-I712 WeakPolarHBondContact CB-O 3.38Å; T668-I712 HydrophobicContact CG2-CG1 4.29Å; T668-I712 HydrophobicContact CG2-CG2 4.15Å; T668-V714 HydrophobicContact CG2-CB 4.09Å; T668-V714 HydrophobicContact CG2-CG1 4Å
669	A	95.4	Very high	92	Very high	10 Å²	10	22.8 Å²	22.8	8%	0.083	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.7	178.8	0	0	0	0	0	111.1	T625 L671 L676 Y691	T625-A669 HydrophobicContact CG2-CB 3.68Å; A669-L671 HydrophobicContact CB-CD2 4.28Å; A669-L676 HydrophobicContact CB-CD1 4.34Å; A669-Y691 HydrophobicContact CB-CE1 4.07Å
670	D	93.8	Very high	92.3	Very high	15 Å²	15	16.6 Å²	16.6	8%	0.08	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	102.7	164.4	-172.5	-26.1	0	0	0	108.3	L672 E673 H674 R675 Y677 V714 K734	D670-L672 PolarHBondContact O-N 3.12Å; D670-L672 PolarHBondContact OD1-N 2.93Å; D670-E673 HydrophobicContact CB-CB 4.49Å; D670-E673 PolarHBondContact O-N 2.88Å; D670-E673 PolarHBondContact OD1-N 3.22Å; D670-H674 WeakPolarHBondContact O-CA 3.38Å; D670-H674 PolarHBondContact O-N 2.94Å; D670-R675 HydrophobicContact CB-CB 4.47Å; D670-R675 PolarHBondContact N-O 3.43Å; D670-R675 PolarHBondContact O-N 2.87Å; D670-Y677 HydrophobicContact CB-CE2 3.97Å; D670-V714 HydrophobicContact CB-CG1 4.2Å; D670-K734 IonicContact OD2-NZ 3.87Å; D670-K734 PolarHBondContact OD2-NZ 2.73Å
671	L	91	Very high	92.6	Very high	18 Å²	18	11.7 Å²	11.7	9%	0.094	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.9	-173.4	-54	177.1	0	0	0	113.5	W585 D627 A669 V760	W585-L671 HydrophobicContact CH2-CD1 3.57Å; W585-L671 HydrophobicContact CZ2-CD1 3.8Å; D627-L671 HydrophobicContact CB-CD2 4.01Å; A669-L671 HydrophobicContact CB-CD2 4.28Å; L671-V760 WeakPolarHBondContact CD1-O 3.48Å
672	L	85.6	Confident	92.4	Very high	23 Å²	23	11.3 Å²	11.3	12%	0.12	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-42.2	179.6	-63.2	175.3	0	0	0	110.9	H478 Y481 D670	H478-L672 HydrophobicContact CB-CD1 4.42Å; H478-L672 HydrophobicContact CB-CD2 4.19Å; Y481-L672 HydrophobicContact CD2-CD1 4.31Å; Y481-L672 HydrophobicContact CE2-CD1 3.58Å; D670-L672 PolarHBondContact O-N 3.12Å; D670-L672 PolarHBondContact OD1-N 2.93Å
673	E	83.6	Confident	92.4	Very high	57 Å²	57	11.1 Å²	11.1	27%	0.266	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-3	-178.4	-64	-61.1	149.4	0	0	113.4	Q464 D670 R675	Q464-E673 WeakPolarHBondContact CA-OE1 3.25Å; D670-E673 HydrophobicContact CB-CB 4.49Å; D670-E673 PolarHBondContact O-N 2.88Å; D670-E673 PolarHBondContact OD1-N 3.22Å; E673-R675 VanDerWaalsContact C-N 3.26Å; E673-R675 HydrophobicContact CB-CB 4.28Å; E673-R675 PolarHBondContact O-N 2.89Å
674	H	86.5	Confident	92.1	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.023	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	47.2	-172.9	-56.3	-59.4	0	0	0	112.7	D627 D670 Y691 Y898	D627-H674 IonicContact OD2-ND1 3.91Å; D670-H674 WeakPolarHBondContact O-CA 3.38Å; D670-H674 PolarHBondContact O-N 2.94Å; H674-Y691 VanDerWaalsContact C-CD1 3.45Å; H674-Y691 HydrophobicContact CB-CD2 4.03Å; H674-Y691 HydrophobicContact CB-CE1 4.43Å; H674-Y691 HydrophobicContact CB-CE2 3.83Å; H674-Y691 HydrophobicContact CB-CG 4.44Å; H674-Y691 AromaticContact ND1-CE2 3.85Å; H674-Y691 WeakPolarHBondContact O-CD1 3.25Å; H674-Y691 PolarHBondContact O-N 2.71Å; H674-Y898 HydrophobicContact CB-CE1 4.11Å; H674-Y898 PolarHBondContact O-OH 2.79Å
675	R	90.8	Very high	91.9	Very high	46 Å²	46	12 Å²	12	17%	0.174	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.3	-173.8	-161.1	175.1	-177.9	78.8	7.5	111.2	D670 E673 Y677 S688 S689 N695	D670-R675 HydrophobicContact CB-CB 4.47Å; D670-R675 PolarHBondContact N-O 3.43Å; D670-R675 PolarHBondContact O-N 2.87Å; E673-R675 VanDerWaalsContact C-N 3.26Å; E673-R675 HydrophobicContact CB-CB 4.28Å; E673-R675 PolarHBondContact O-N 2.89Å; R675-Y677 HydrophobicContact CB-CE2 4.21Å; R675-Y677 HydrophobicContact CG-CE2 4.22Å; R675-S688 PolarHBondContact NE-OG 3.46Å; R675-S688 PolarHBondContact NH2-OG 3.3Å; R675-S689 WeakPolarHBondContact CG-O 3.3Å; R675-N695 PolarHBondContact NH2-O 3.5Å
676	L	95.5	Very high	91.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.7	177	-164.9	71.7	0	0	0	110.1	T625 F634 I644 I657 L667 A669 W678 S688 S689 Y691	T625-L676 HydrophobicContact CG2-CD1 4.12Å; F634-L676 HydrophobicContact CB-CD1 4.06Å; F634-L676 HydrophobicContact CB-CD2 4.49Å; F634-L676 HydrophobicContact CD1-CD1 4.32Å; F634-L676 HydrophobicContact CD1-CD2 4.27Å; F634-L676 HydrophobicContact CD2-CD1 4.24Å; F634-L676 HydrophobicContact CG-CD1 3.95Å; I644-L676 HydrophobicContact CG2-CD2 4.07Å; I657-L676 HydrophobicContact CD1-CD2 3.96Å; I657-L676 HydrophobicContact CG2-CD2 4.49Å; L667-L676 HydrophobicContact CD1-CD1 3.91Å; A669-L676 HydrophobicContact CB-CD1 4.34Å; L676-W678 HydrophobicContact CD2-CE3 4.44Å; L676-W678 HydrophobicContact CG-CE3 4.47Å; L676-S688 CarbonylContact O-C 3.55Å; L676-S688 WeakPolarHBondContact O-CA 3.04Å; L676-S688 WeakPolarHBondContact O-CB 3.4Å; L676-S689 PolarHBondContact N-O 3.34Å; L676-S689 PolarHBondContact O-N 2.69Å; L676-Y691 HydrophobicContact CB-CD1 4.48Å
677	Y	97.6	Very high	91.8	Very high	3 Å²	3	11.9 Å²	11.9	1%	0.012	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.5	171.8	-63.8	-95.3	0	0	0	109.5	L667 T668 D670 R675 C687 S688 I699 V714 L719 K734	L667-Y677 CarbonylContact C-O 3.41Å; L667-Y677 VanDerWaalsContact CA-O 3.28Å; L667-Y677 WeakPolarHBondContact CA-O 3.38Å; T668-Y677 PolarHBondContact N-O 3.3Å; T668-Y677 PolarHBondContact O-N 2.72Å; D670-Y677 HydrophobicContact CB-CE2 3.97Å; R675-Y677 HydrophobicContact CB-CE2 4.21Å; R675-Y677 HydrophobicContact CG-CE2 4.22Å; Y677-C687 VanDerWaalsContact CA-O 3.31Å; Y677-C687 WeakPolarHBondContact CA-O 3.27Å; Y677-S688 VanDerWaalsContact CD1-CB 3.45Å; Y677-I699 HydrophobicContact CD1-CG1 4.47Å; Y677-I699 HydrophobicContact CE1-CG1 4.36Å; Y677-V714 HydrophobicContact CE2-CG2 4.49Å; Y677-L719 HydrophobicContact CD1-CD1 3.8Å; Y677-L719 HydrophobicContact CD1-CD2 3.87Å; Y677-L719 HydrophobicContact CD1-CG 4.44Å; Y677-L719 HydrophobicContact CD2-CD2 4.35Å; Y677-L719 HydrophobicContact CE1-CD1 4.17Å; Y677-L719 HydrophobicContact CE1-CD2 4.31Å; Y677-L719 HydrophobicContact CG-CD2 3.9Å; Y677-K734 HydrophobicContact CE1-CB 4.16Å
678	W	97.6	Very high	91.6	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.011	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.4	177.5	67.9	97.3	0	0	0	112.5	I644 E658 G666 L667 L676 I686 C687 S688 S689 K696	I644-W678 HydrophobicContact CD1-CB 3.94Å; I644-W678 HydrophobicContact CD1-CD2 3.56Å; I644-W678 HydrophobicContact CD1-CE3 4.35Å; I644-W678 HydrophobicContact CD1-CG 3.35Å; I644-W678 HydrophobicContact CD1-CZ2 4.44Å; E658-W678 HydrophobicContact CG-CZ2 4.29Å; G666-W678 CarbonylContact O-C 3.44Å; G666-W678 WeakPolarHBondContact O-CA 3.43Å; G666-W678 WeakPolarHBondContact O-CB 3.41Å; L667-W678 HydrophobicContact CB-CB 4.15Å; L676-W678 HydrophobicContact CD2-CE3 4.44Å; L676-W678 HydrophobicContact CG-CE3 4.47Å; W678-I686 WeakPolarHBondContact O-CA 2.95Å; W678-C687 HydrophobicContact CD2-CB 3.77Å; W678-C687 HydrophobicContact CE3-CB 4.25Å; W678-C687 HydrophobicContact CG-CB 4.39Å; W678-C687 HydrophobicContact CH2-CB 3.84Å; W678-C687 HydrophobicContact CZ2-CB 3.31Å; W678-C687 HydrophobicContact CZ3-CB 4.27Å; W678-C687 PolarHBondContact N-O 3.29Å; W678-C687 PolarHBondContact O-N 2.82Å; W678-S688 VanDerWaalsContact CZ3-C 3.46Å; W678-S689 VanDerWaalsContact CZ3-OG 3.23Å; W678-S689 WeakPolarHBondContact CZ3-OG 3.31Å; W678-K696 HydrophobicContact CH2-CG 4.29Å
679	V	96.1	Very high	91.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.8	171.8	-69.3	0	0	0	0	109.5	N665 G666 I686 P709 I712 W721	N665-V679 HydrophobicContact CB-CG2 4.31Å; N665-V679 PolarHBondContact N-O 2.71Å; N665-V679 VanDerWaalsContact N-O 3.14Å; G666-V679 VanDerWaalsContact N-CG2 3.29Å; G666-V679 PolarHBondContact O-N 3.08Å; V679-I686 HydrophobicContact CG1-CD1 4.35Å; V679-I686 HydrophobicContact CG1-CG1 3.84Å; V679-P709 HydrophobicContact CB-CB 3.77Å; V679-P709 HydrophobicContact CB-CG 3.84Å; V679-P709 HydrophobicContact CG1-CB 3.91Å; V679-P709 HydrophobicContact CG1-CG 4.37Å; V679-P709 HydrophobicContact CG2-CB 4.01Å; V679-P709 HydrophobicContact CG2-CG 4.33Å; V679-I712 HydrophobicContact CG1-CB 4Å; V679-I712 HydrophobicContact CG1-CD1 3.84Å; V679-I712 HydrophobicContact CG1-CG1 4.45Å; V679-I712 HydrophobicContact CG1-CG2 4.35Å; V679-I712 HydrophobicContact CG2-CG2 4.46Å; V679-W721 HydrophobicContact CG1-CB 4.39Å
680	D	93.3	Very high	91	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115	169.1	-170.3	-51.4	0	0	0	109.1	I662 W663 K682 L683 K684 Q685	I662-D680 PolarHBondContact N-OD2 2.71Å; W663-D680 PolarHBondContact N-OD1 2.71Å; W663-D680 VanDerWaalsContact N-OD1 3.12Å; W663-D680 PolarHBondContact N-OD2 3.19Å; W663-D680 CarbonylContact O-C 3.24Å; W663-D680 WeakPolarHBondContact O-CA 3.36Å; D680-K682 VanDerWaalsContact C-N 3.31Å; D680-K682 PolarHBondContact O-N 3.13Å; D680-K682 PolarHBondContact OD1-N 3.33Å; D680-L683 HydrophobicContact CB-CB 3.95Å; D680-L683 HydrophobicContact CB-CD1 4.44Å; D680-L683 HydrophobicContact CB-CG 4.43Å; D680-L683 PolarHBondContact OD1-N 3.03Å; D680-K684 PolarHBondContact O-N 2.68Å; D680-Q685 HydrophobicContact CB-CG 4.42Å; D680-Q685 PolarHBondContact N-O 3.41Å; D680-Q685 PolarHBondContact O-N 2.96Å
681	A	90.7	Very high	90.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.7	-172.8	0	0	0	0	0	113.3	W663 N665 K684 P709	W663-A681 HydrophobicContact CB-CB 4.4Å; W663-A681 HydrophobicContact CD2-CB 4.48Å; W663-A681 HydrophobicContact CG-CB 4.3Å; W663-A681 PolarHBondContact O-N 2.59Å; N665-A681 VanDerWaalsContact ND2-CB 3.27Å; N665-A681 WeakPolarHBondContact ND2-CB 3.48Å; A681-K684 VanDerWaalsContact O-CD 3.27Å; A681-K684 WeakPolarHBondContact O-CD 3.14Å; A681-K684 VanDerWaalsContact O-CE 3.31Å; A681-K684 WeakPolarHBondContact O-CE 2.97Å; A681-K684 PolarHBondContact O-NZ 2.96Å; A681-P709 HydrophobicContact CB-CG 4.18Å
682	K	83.8	Confident	90.1	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.009	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-41.6	175.4	-169.2	59.1	168.4	-178.3	0	111.2	F301 D304 D306 D308 I662 W663 D680 K684	F301-K682 HydrophobicContact CD1-CD 4.43Å; F301-K682 HydrophobicContact CD1-CG 4.5Å; F301-K682 HydrophobicContact CE1-CD 4.44Å; F301-K682 HydrophobicContact CE1-CG 4.09Å; D304-K682 IonicContact OD1-NZ 3.4Å; D304-K682 PolarHBondContact OD1-NZ 3.07Å; D304-K682 WeakPolarHBondContact OD2-CE 3.41Å; D304-K682 IonicContact OD2-NZ 3.68Å; D304-K682 PolarHBondContact OD2-NZ 2.86Å; D306-K682 WeakPolarHBondContact OD2-CE 3.49Å; D306-K682 IonicContact OD2-NZ 2.63Å; D306-K682 PolarHBondContact OD2-NZ 2.65Å; D308-K682 IonicContact OD1-NZ 3.62Å; D308-K682 IonicContact OD2-NZ 2.72Å; D308-K682 PolarHBondContact OD2-NZ 3.23Å; I662-K682 HydrophobicContact CB-CB 4.06Å; I662-K682 HydrophobicContact CB-CG 4.33Å; I662-K682 HydrophobicContact CG2-CB 3.69Å; I662-K682 HydrophobicContact CG2-CG 3.59Å; W663-K682 HydrophobicContact CB-CB 3.64Å; W663-K682 HydrophobicContact CE3-CB 4.37Å; D680-K682 VanDerWaalsContact C-N 3.31Å; D680-K682 PolarHBondContact O-N 3.13Å; D680-K682 PolarHBondContact OD1-N 3.33Å; K682-K684 PolarHBondContact O-N 2.99Å
683	L	85.6	Confident	90	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	1.3	176.1	-62	179.8	0	0	0	114	P337 V339 Y340 I662 D680 Q685	P337-L683 HydrophobicContact CB-CD2 3.63Å; P337-L683 HydrophobicContact CG-CD2 4.09Å; V339-L683 HydrophobicContact CG2-CD1 4.46Å; V339-L683 HydrophobicContact CG2-CD2 3.53Å; Y340-L683 PolarHBondContact OH-O 3.32Å; I662-L683 HydrophobicContact CB-CG 4.18Å; I662-L683 HydrophobicContact CD1-CD2 3.44Å; I662-L683 VanDerWaalsContact CD1-CD2 3.44Å; I662-L683 HydrophobicContact CD1-CG 4.04Å; I662-L683 HydrophobicContact CG1-CD1 4.17Å; I662-L683 HydrophobicContact CG1-CD2 3.95Å; I662-L683 HydrophobicContact CG1-CG 3.99Å; D680-L683 HydrophobicContact CB-CB 3.95Å; D680-L683 HydrophobicContact CB-CD1 4.44Å; D680-L683 HydrophobicContact CB-CG 4.43Å; D680-L683 PolarHBondContact OD1-N 3.03Å; L683-Q685 HydrophobicContact CB-CG 3.75Å; L683-Q685 WeakPolarHBondContact O-CB 3.24Å; L683-Q685 WeakPolarHBondContact O-CG 3.17Å; L683-Q685 PolarHBondContact O-N 2.03Å
684	K	85.7	Confident	90	Very high	31 Å²	31	13.2 Å²	13.2	14%	0.135	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	42.2	176.3	-48.1	-57.3	176.4	-165.7	0	113.2	D680 A681 K682 S702 I706 Y707	D680-K684 PolarHBondContact O-N 2.68Å; A681-K684 VanDerWaalsContact O-CD 3.27Å; A681-K684 WeakPolarHBondContact O-CD 3.14Å; A681-K684 VanDerWaalsContact O-CE 3.31Å; A681-K684 WeakPolarHBondContact O-CE 2.97Å; A681-K684 PolarHBondContact O-NZ 2.96Å; K682-K684 PolarHBondContact O-N 2.99Å; K684-S702 PolarHBondContact O-N 2.75Å; K684-I706 HydrophobicContact CB-CB 4.46Å; K684-I706 HydrophobicContact CB-CG2 4.47Å; K684-I706 WeakPolarHBondContact O-CD1 3.45Å; K684-Y707 WeakPolarHBondContact CD-O 3.31Å; K684-Y707 WeakPolarHBondContact CE-O 3.3Å; K684-Y707 PolarHBondContact NZ-O 3.06Å
685	Q	89.9	Confident	89.8	Confident	13 Å²	13	18.3 Å²	18.3	6%	0.061	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.5	-172.3	67.5	-178.6	-7.8	0	0	113.1	D680 L683 C687 V698 L700 N701	D680-Q685 HydrophobicContact CB-CG 4.42Å; D680-Q685 PolarHBondContact N-O 3.41Å; D680-Q685 PolarHBondContact O-N 2.96Å; L683-Q685 HydrophobicContact CB-CG 3.75Å; L683-Q685 WeakPolarHBondContact O-CB 3.24Å; L683-Q685 WeakPolarHBondContact O-CG 3.17Å; L683-Q685 PolarHBondContact O-N 2.03Å; Q685-C687 VanDerWaalsContact CD-SG 3.52Å; Q685-V698 HydrophobicContact CB-CG1 4.27Å; Q685-L700 CarbonylContact C-O 3.58Å; Q685-L700 WeakPolarHBondContact CA-O 3.31Å; Q685-L700 WeakPolarHBondContact CB-O 3.33Å; Q685-N701 HydrophobicContact CB-CB 4.47Å
686	I	94.5	Very high	89.7	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.6	168.2	-57.6	177.9	0	0	0	107.7	W678 V679 I699 L700 I706 I712 L719 W721	W678-I686 WeakPolarHBondContact O-CA 2.95Å; V679-I686 HydrophobicContact CG1-CD1 4.35Å; V679-I686 HydrophobicContact CG1-CG1 3.84Å; I686-I699 HydrophobicContact CG2-CB 4.46Å; I686-I699 PolarHBondContact O-N 2.74Å; I686-L700 HydrophobicContact CB-CB 4.28Å; I686-L700 HydrophobicContact CD1-CB 4.44Å; I686-L700 HydrophobicContact CD1-CD2 4.24Å; I686-L700 HydrophobicContact CG1-CB 4.47Å; I686-L700 PolarHBondContact N-O 2.89Å; I686-L700 PolarHBondContact O-N 3.1Å; I686-I706 HydrophobicContact CD1-CD1 4.32Å; I686-I706 HydrophobicContact CG1-CD1 3.88Å; I686-I712 HydrophobicContact CD1-CD1 4.35Å; I686-I712 HydrophobicContact CG2-CD1 3.71Å; I686-L719 HydrophobicContact CG2-CD1 3.98Å; I686-W721 HydrophobicContact CD1-CD2 3.77Å; I686-W721 HydrophobicContact CD1-CE3 3.68Å; I686-W721 HydrophobicContact CD1-CG 4.38Å; I686-W721 HydrophobicContact CD1-CH2 4.26Å; I686-W721 HydrophobicContact CD1-CZ2 4.32Å; I686-W721 HydrophobicContact CD1-CZ3 3.94Å
687	C	94.2	Very high	89.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	160.9	-178.3	-72.5	0	0	0	0	110.8	Y677 W678 Q685 K697	Y677-C687 VanDerWaalsContact CA-O 3.31Å; Y677-C687 WeakPolarHBondContact CA-O 3.27Å; W678-C687 HydrophobicContact CD2-CB 3.77Å; W678-C687 HydrophobicContact CE3-CB 4.25Å; W678-C687 HydrophobicContact CG-CB 4.39Å; W678-C687 HydrophobicContact CH2-CB 3.84Å; W678-C687 HydrophobicContact CZ2-CB 3.31Å; W678-C687 HydrophobicContact CZ3-CB 4.27Å; W678-C687 PolarHBondContact N-O 3.29Å; W678-C687 PolarHBondContact O-N 2.82Å; Q685-C687 VanDerWaalsContact CD-SG 3.52Å; C687-K697 CarbonylContact C-O 3.57Å; C687-K697 WeakPolarHBondContact CA-O 3.43Å
688	S	95.1	Very high	89.1	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.4	171.8	69.7	0	0	0	0	111.5	R675 L676 Y677 W678 K696 K697	R675-S688 PolarHBondContact NE-OG 3.46Å; R675-S688 PolarHBondContact NH2-OG 3.3Å; L676-S688 CarbonylContact O-C 3.55Å; L676-S688 WeakPolarHBondContact O-CA 3.04Å; L676-S688 WeakPolarHBondContact O-CB 3.4Å; Y677-S688 VanDerWaalsContact CD1-CB 3.45Å; W678-S688 VanDerWaalsContact CZ3-C 3.46Å; S688-K696 CarbonylContact O-C 3.58Å; S688-K696 WeakPolarHBondContact O-CA 3.36Å; S688-K697 PolarHBondContact N-O 3.04Å; S688-K697 PolarHBondContact O-N 2.87Å
689	S	92.9	Very high	88.8	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.5	173.2	59.7	0	0	0	0	109.3	R675 L676 W678 Q694	R675-S689 WeakPolarHBondContact CG-O 3.3Å; L676-S689 PolarHBondContact N-O 3.34Å; L676-S689 PolarHBondContact O-N 2.69Å; W678-S689 VanDerWaalsContact CZ3-OG 3.23Å; W678-S689 WeakPolarHBondContact CZ3-OG 3.31Å; S689-Q694 WeakPolarHBondContact CB-O 3.1Å
690	D	87.5	Confident	88.4	Confident	16 Å²	16	29.5 Å²	29.5	9%	0.086	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	167.9	162.1	58.6	48.4	0	0	0	111.1	F692 G693 Q694 N695	D690-F692 PolarHBondContact O-N 3.33Å; D690-F692 WeakPolarHBondContact OD1-CA 3.17Å; D690-F692 PolarHBondContact OD1-N 3.03Å; D690-G693 PolarHBondContact O-N 3.04Å; D690-G693 PolarHBondContact OD1-N 2.73Å; D690-G693 VanDerWaalsContact OD1-N 3.16Å; D690-Q694 VanDerWaalsContact CG-O 3.26Å; D690-Q694 PolarHBondContact N-O 3.1Å; D690-Q694 PolarHBondContact OD1-N 3.42Å; D690-Q694 VanDerWaalsContact OD2-C 3.28Å; D690-Q694 VanDerWaalsContact OD2-CB 3.22Å; D690-Q694 WeakPolarHBondContact OD2-CB 3.25Å; D690-N695 PolarHBondContact OD2-ND2 2.98Å
691	Y	87.1	Confident	87.8	Confident	12 Å²	12	32.4 Å²	32.4	5%	0.047	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-10	178.7	-70.5	-4.6	0	0	0	115.6	D627 V632 F634 A669 H674 L676	D627-Y691 HydrophobicContact CB-CE2 4.22Å; D627-Y691 VanDerWaalsContact OD2-CE2 3.24Å; D627-Y691 WeakPolarHBondContact OD2-CE2 3.46Å; D627-Y691 PolarHBondContact OD2-OH 2.01Å; V632-Y691 HydrophobicContact CG2-CE2 4.48Å; F634-Y691 HydrophobicContact CE1-CD1 4.16Å; F634-Y691 HydrophobicContact CE1-CG 4.01Å; F634-Y691 HydrophobicContact CE2-CD1 4.21Å; F634-Y691 HydrophobicContact CE2-CD2 4.35Å; F634-Y691 HydrophobicContact CE2-CE1 4.14Å; F634-Y691 HydrophobicContact CE2-CE2 4.27Å; F634-Y691 HydrophobicContact CE2-CG 4.32Å; F634-Y691 AromaticContact CZ-CD1 3.64Å; F634-Y691 HydrophobicContact CZ-CD1 3.64Å; F634-Y691 AromaticContact CZ-CD2 3.66Å; F634-Y691 HydrophobicContact CZ-CD2 3.66Å; F634-Y691 HydrophobicContact CZ-CE1 4.03Å; F634-Y691 HydrophobicContact CZ-CE2 4.03Å; F634-Y691 AromaticContact CZ-CG 3.44Å; F634-Y691 HydrophobicContact CZ-CG 3.44Å; F634-Y691 VanDerWaalsContact CZ-CG 3.44Å; A669-Y691 HydrophobicContact CB-CE1 4.07Å; H674-Y691 VanDerWaalsContact C-CD1 3.45Å; H674-Y691 HydrophobicContact CB-CD2 4.03Å; H674-Y691 HydrophobicContact CB-CE1 4.43Å; H674-Y691 HydrophobicContact CB-CE2 3.83Å; H674-Y691 HydrophobicContact CB-CG 4.44Å; H674-Y691 AromaticContact ND1-CE2 3.85Å; H674-Y691 WeakPolarHBondContact O-CD1 3.25Å; H674-Y691 PolarHBondContact O-N 2.71Å; L676-Y691 HydrophobicContact CB-CD1 4.48Å
692	F	79.4	Confident	86.8	Confident	53 Å²	53	33.8 Å²	33.8	23%	0.232	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	9	177.7	-58.1	-82.8	0	0	0	113.1	F655 D690 Q694 F894 Y898	F655-F692 HydrophobicContact CE1-CD1 4.2Å; F655-F692 HydrophobicContact CE1-CE1 4.39Å; F655-F692 HydrophobicContact CE2-CD1 4.27Å; F655-F692 AromaticContact CZ-CD1 3.51Å; F655-F692 HydrophobicContact CZ-CD1 3.51Å; F655-F692 HydrophobicContact CZ-CE1 4.09Å; F655-F692 HydrophobicContact CZ-CG 4.37Å; D690-F692 PolarHBondContact O-N 3.33Å; D690-F692 WeakPolarHBondContact OD1-CA 3.17Å; D690-F692 PolarHBondContact OD1-N 3.03Å; F692-Q694 VanDerWaalsContact C-N 3.27Å; F692-Q694 HydrophobicContact CB-CG 4.38Å; F692-Q694 PolarHBondContact O-N 2.8Å; F692-F894 HydrophobicContact CD1-CB 4.33Å; F692-F894 HydrophobicContact CD1-CD1 4.41Å; F692-F894 HydrophobicContact CD1-CG 4.41Å; F692-F894 HydrophobicContact CE1-CB 3.93Å; F692-F894 AromaticContact CE1-CD1 3.38Å; F692-F894 HydrophobicContact CE1-CD1 3.38Å; F692-F894 AromaticContact CE1-CE1 3.88Å; F692-F894 HydrophobicContact CE1-CE1 3.88Å; F692-F894 AromaticContact CE1-CG 3.76Å; F692-F894 HydrophobicContact CE1-CG 3.76Å; F692-F894 HydrophobicContact CZ-CB 4.09Å; F692-F894 AromaticContact CZ-CD1 3.58Å; F692-F894 HydrophobicContact CZ-CD1 3.58Å; F692-F894 HydrophobicContact CZ-CE1 4.3Å; F692-F894 HydrophobicContact CZ-CG 4.16Å; F692-Y898 HydrophobicContact CD2-CD2 4.04Å; F692-Y898 AromaticContact CD2-CE2 3.55Å; F692-Y898 HydrophobicContact CD2-CE2 3.55Å; F692-Y898 AromaticContact CE2-CD2 3.53Å; F692-Y898 HydrophobicContact CE2-CD2 3.53Å; F692-Y898 AromaticContact CE2-CE2 3.3Å; F692-Y898 HydrophobicContact CE2-CE2 3.3Å
693	G	83.2	Confident	85.9	Confident	22 Å²	22	36.7 Å²	36.7	23%	0.227	19%	0.186	C	C	.	.	S	Bend	trans	78.1	5.6	-179.8	0	0	0	0	0	114.6	D690	D690-G693 PolarHBondContact O-N 3.04Å; D690-G693 PolarHBondContact OD1-N 2.73Å; D690-G693 VanDerWaalsContact OD1-N 3.16Å
694	Q	82.5	Confident	84.7	Confident	66 Å²	66	42.5 Å²	42.5	31%	0.308	22%	0.217	S	C	.	.			trans	-85.4	167.7	175.2	-34.1	171.1	37.4	0	0	109.9	S689 D690 F692 K696	S689-Q694 WeakPolarHBondContact CB-O 3.1Å; D690-Q694 VanDerWaalsContact CG-O 3.26Å; D690-Q694 PolarHBondContact N-O 3.1Å; D690-Q694 PolarHBondContact OD1-N 3.42Å; D690-Q694 VanDerWaalsContact OD2-C 3.28Å; D690-Q694 VanDerWaalsContact OD2-CB 3.22Å; D690-Q694 WeakPolarHBondContact OD2-CB 3.25Å; F692-Q694 VanDerWaalsContact C-N 3.27Å; F692-Q694 HydrophobicContact CB-CG 4.38Å; F692-Q694 PolarHBondContact O-N 2.8Å; Q694-K696 PolarHBondContact O-N 3.19Å; Q694-K696 VanDerWaalsContact O-N 3.1Å
695	N	83.5	Confident	84	Confident	112 Å²	112	47.2 Å²	47.2	60%	0.599	23%	0.234	S	C	*	.	S	Bend	trans	51.4	38	-179.3	-54.4	-58.9	0	0	0	113	R675 D690 K697	R675-N695 PolarHBondContact NH2-O 3.5Å; D690-N695 PolarHBondContact OD2-ND2 2.98Å; N695-K697 PolarHBondContact O-N 2.98Å
696	K	89	Confident	83.5	Confident	87 Å²	87	46.6 Å²	46.6	38%	0.378	23%	0.231	S	C	.	.			trans	-58.1	133.8	177.2	-178.6	-178.8	174.6	178.8	0	109.9	E658 W678 S688 Q694	E658-K696 IonicContact OE1-NZ 3.33Å; E658-K696 PolarHBondContact OE1-NZ 3.35Å; E658-K696 VanDerWaalsContact OE2-CD 3.24Å; E658-K696 WeakPolarHBondContact OE2-CD 3.23Å; E658-K696 WeakPolarHBondContact OE2-CE 3Å; E658-K696 IonicContact OE2-NZ 3.72Å; E658-K696 PolarHBondContact OE2-NZ 3.24Å; W678-K696 HydrophobicContact CH2-CG 4.29Å; S688-K696 CarbonylContact O-C 3.58Å; S688-K696 WeakPolarHBondContact O-CA 3.36Å; Q694-K696 PolarHBondContact O-N 3.19Å; Q694-K696 VanDerWaalsContact O-N 3.1Å
697	K	89.3	Confident	83	Confident	89 Å²	89	51.1 Å²	51.1	39%	0.387	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.2	176.2	-66	-169.1	175.3	-147.5	0	110	P459 C687 S688 N695 I699	P459-K697 VanDerWaalsContact CG-NZ 3.28Å; C687-K697 CarbonylContact C-O 3.57Å; C687-K697 WeakPolarHBondContact CA-O 3.43Å; S688-K697 PolarHBondContact N-O 3.04Å; S688-K697 PolarHBondContact O-N 2.87Å; N695-K697 PolarHBondContact O-N 2.98Å; K697-I699 HydrophobicContact CB-CD1 4.17Å
698	V	90.3	Very high	82.7	Confident	74 Å²	74	52.3 Å²	52.3	45%	0.448	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.4	166.4	-176	0	0	0	0	106.9	Q685 N701	Q685-V698 HydrophobicContact CB-CG1 4.27Å; V698-N701 HydrophobicContact CG1-CB 3.81Å
699	I	91	Very high	82.6	Confident	17 Å²	17	52.3 Å²	52.3	9%	0.087	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-44.8	-177.3	-58.9	-54	0	0	0	110.2	Y677 I686 K697 L719 K734 G737	Y677-I699 HydrophobicContact CD1-CG1 4.47Å; Y677-I699 HydrophobicContact CE1-CG1 4.36Å; I686-I699 HydrophobicContact CG2-CB 4.46Å; I686-I699 PolarHBondContact O-N 2.74Å; K697-I699 HydrophobicContact CB-CD1 4.17Å; I699-L719 HydrophobicContact CG2-CD1 4.22Å; I699-K734 VanDerWaalsContact CD1-O 3.28Å; I699-K734 WeakPolarHBondContact CD1-O 3.42Å; I699-G737 WeakPolarHBondContact O-CA 3.5Å
700	L	86.9	Confident	82.7	Confident	19 Å²	19	52.8 Å²	52.8	10%	0.099	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.4	179.4	-175.7	67	0	0	0	108.3	Q685 I686 I706 W721 N740	Q685-L700 CarbonylContact C-O 3.58Å; Q685-L700 WeakPolarHBondContact CA-O 3.31Å; Q685-L700 WeakPolarHBondContact CB-O 3.33Å; I686-L700 HydrophobicContact CB-CB 4.28Å; I686-L700 HydrophobicContact CD1-CB 4.44Å; I686-L700 HydrophobicContact CD1-CD2 4.24Å; I686-L700 HydrophobicContact CG1-CB 4.47Å; I686-L700 PolarHBondContact N-O 2.89Å; I686-L700 PolarHBondContact O-N 3.1Å; L700-I706 HydrophobicContact CB-CD1 4.2Å; L700-I706 HydrophobicContact CD2-CD1 3.67Å; L700-I706 HydrophobicContact CD2-CG1 3.99Å; L700-I706 HydrophobicContact CG-CD1 3.79Å; L700-W721 HydrophobicContact CD2-CH2 3.89Å; L700-W721 HydrophobicContact CD2-CZ2 4.04Å; L700-N740 VanDerWaalsContact CD2-ND2 3.29Å; L700-N740 WeakPolarHBondContact CD2-ND2 3.13Å
701	N	81.7	Confident	83.1	Confident	63 Å²	63	52.6 Å²	52.6	34%	0.337	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	110.1	171.3	-178.7	3.1	0	0	0	107.8	Y340 Q685 V698	Y340-N701 PolarHBondContact OH-OD1 3.37Å; Q685-N701 HydrophobicContact CB-CB 4.47Å; V698-N701 HydrophobicContact CG1-CB 3.81Å
702	S	69.5	Low	83.6	Confident	29 Å²	29	52.2 Å²	52.2	20%	0.203	26%	0.255	C	S	.	.			trans	-160.1	111.7	177.4	-165.8	0	0	0	0	112	K684 N704 R705 I706	K684-S702 PolarHBondContact O-N 2.75Å; S702-N704 PolarHBondContact O-N 2.78Å; S702-R705 PolarHBondContact O-N 2.83Å; S702-R705 VanDerWaalsContact O-N 3.12Å; S702-I706 PolarHBondContact O-N 3.17Å
703	R	64	Low	84.5	Confident	63 Å²	63	50 Å²	50	24%	0.238	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.2	172.6	-57.2	-171.2	-161.5	-158.7	9.9	114.3	I336 D347	I336-R703 VanDerWaalsContact CG2-NH2 3.26Å; D347-R703 IonicContact OD1-CZ 3.7Å; D347-R703 IonicContact OD1-NE 3.11Å; D347-R703 PolarHBondContact OD1-NE 3.4Å; D347-R703 IonicContact OD1-NH2 3.2Å; D347-R703 PolarHBondContact OD1-NH2 3.06Å
704	N	62.2	Low	85.2	Confident	125 Å²	125	49.6 Å²	49.6	67%	0.668	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.1	-178	-66.6	-2.1	0	0	0	113.3	S702 Y707	S702-N704 PolarHBondContact O-N 2.78Å; N704-Y707 PolarHBondContact O-OH 3.44Å
705	R	70.6	Confident	85.8	Confident	130 Å²	130	46.8 Å²	46.8	49%	0.491	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-21.1	-177.3	-56.6	-173	-175.4	-162	2.3	113.8	S702 N740	S702-R705 PolarHBondContact O-N 2.83Å; S702-R705 VanDerWaalsContact O-N 3.12Å; R705-N740 WeakPolarHBondContact CD-ND2 3.27Å
706	I	79.8	Confident	86.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.			trans	-119.1	117.1	172.3	-60.6	167.9	0	0	0	105.6	K684 I686 L700 S702 P709	K684-I706 HydrophobicContact CB-CB 4.46Å; K684-I706 HydrophobicContact CB-CG2 4.47Å; K684-I706 WeakPolarHBondContact O-CD1 3.45Å; I686-I706 HydrophobicContact CD1-CD1 4.32Å; I686-I706 HydrophobicContact CG1-CD1 3.88Å; L700-I706 HydrophobicContact CB-CD1 4.2Å; L700-I706 HydrophobicContact CD2-CD1 3.67Å; L700-I706 HydrophobicContact CD2-CG1 3.99Å; L700-I706 HydrophobicContact CG-CD1 3.79Å; S702-I706 PolarHBondContact O-N 3.17Å; I706-P709 HydrophobicContact CG2-CB 4.19Å; I706-P709 VanDerWaalsContact CG2-CD 3.47Å; I706-P709 HydrophobicContact CG2-CG 3.51Å
707	Y	83	Confident	86.4	Confident	95 Å²	95	40.3 Å²	40.3	37%	0.373	19%	0.193	S	C	.	.	S	Bend	trans	-112.1	-65.4	-178.3	-62.6	-83.9	0	0	0	110.1	K684 N704 D723 S725 T726	K684-Y707 WeakPolarHBondContact CD-O 3.31Å; K684-Y707 WeakPolarHBondContact CE-O 3.3Å; K684-Y707 PolarHBondContact NZ-O 3.06Å; N704-Y707 PolarHBondContact O-OH 3.44Å; Y707-D723 PolarHBondContact N-OD2 3.49Å; Y707-S725 WeakPolarHBondContact CB-OG 3.32Å; Y707-T726 HydrophobicContact CD2-CG2 4.14Å; Y707-T726 HydrophobicContact CE2-CG2 4.32Å
708	H	88.1	Confident	86.6	Confident	25 Å²	25	39 Å²	39	12%	0.116	19%	0.188	C	C	.	.	S	Bend	trans	-139.6	74.1	176.1	-154.8	108.6	0	0	0	110.1	W663 N665 D723 W724	W663-H708 AromaticContact CH2-CE1 3.66Å; W663-H708 AromaticContact CZ2-CE1 3.98Å; W663-H708 AromaticContact CZ3-CE1 3.77Å; N665-H708 PolarHBondContact ND2-NE2 3.45Å; H708-D723 PolarHBondContact N-OD1 3.43Å; H708-D723 VanDerWaalsContact N-OD1 3.17Å; H708-D723 PolarHBondContact N-OD2 3.14Å; H708-W724 HydrophobicContact CB-CB 4.3Å; H708-W724 AromaticContact CD2-CD2 3.86Å; H708-W724 AromaticContact CD2-CE3 3.25Å; H708-W724 AromaticContact CD2-CZ3 3.61Å; H708-W724 AromaticContact CG-CE3 3.86Å; H708-W724 AromaticContact NE2-CE3 3.67Å; H708-W724 AromaticContact NE2-CZ3 3.5Å; H708-W724 PolarHBondContact O-N 3.01Å
709	P	93.5	Very high	86.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.2	179.4	30.2	-38.8	0	0	0	110.9	N665 V679 A681 I706 T722	N665-P709 WeakPolarHBondContact CB-O 3.41Å; N665-P709 PolarHBondContact ND2-O 3.35Å; V679-P709 HydrophobicContact CB-CB 3.77Å; V679-P709 HydrophobicContact CB-CG 3.84Å; V679-P709 HydrophobicContact CG1-CB 3.91Å; V679-P709 HydrophobicContact CG1-CG 4.37Å; V679-P709 HydrophobicContact CG2-CB 4.01Å; V679-P709 HydrophobicContact CG2-CG 4.33Å; A681-P709 HydrophobicContact CB-CG 4.18Å; I706-P709 HydrophobicContact CG2-CB 4.19Å; I706-P709 VanDerWaalsContact CG2-CD 3.47Å; I706-P709 HydrophobicContact CG2-CG 3.51Å; P709-T722 CarbonylContact C-O 3.59Å; P709-T722 WeakPolarHBondContact CA-O 3.3Å
710	F	94.4	Very high	87.1	Confident	12 Å²	12	35.4 Å²	35.4	5%	0.053	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-56.9	-179.4	-174.2	-97.5	0	0	0	112.5	I528 N665 G666 T722 W724 M751	I528-F710 HydrophobicContact CG2-CE1 4.21Å; I528-F710 HydrophobicContact CG2-CZ 3.74Å; N665-F710 CarbonylContact C-O 3.5Å; N665-F710 VanDerWaalsContact C-O 3.31Å; G666-F710 WeakPolarHBondContact CA-O 3.29Å; G666-F710 PolarHBondContact N-O 2.83Å; F710-T722 PolarHBondContact N-O 2.78Å; F710-W724 HydrophobicContact CB-CZ2 4.37Å; F710-W724 AromaticContact CD2-CE2 3.67Å; F710-W724 AromaticContact CD2-CH2 3.96Å; F710-W724 HydrophobicContact CD2-CH2 3.96Å; F710-W724 AromaticContact CD2-CZ2 3.17Å; F710-W724 HydrophobicContact CD2-CZ2 3.17Å; F710-W724 AromaticContact CD2-NE1 3.92Å; F710-W724 HydrophobicContact CE2-CH2 4.25Å; F710-W724 AromaticContact CE2-CZ2 3.59Å; F710-W724 HydrophobicContact CE2-CZ2 3.59Å; F710-W724 AromaticContact CG-CE2 3.98Å; F710-W724 AromaticContact CG-CZ2 3.93Å; F710-W724 HydrophobicContact CG-CZ2 3.93Å; F710-W724 AromaticContact CG-NE1 3.74Å; F710-M751 HydrophobicContact CD1-CB 4.39Å; F710-M751 WeakPolarHBondContact CD1-O 3.26Å; F710-M751 HydrophobicContact CD1-SD 4.33Å; F710-M751 HydrophobicContact CE1-CB 4.16Å; F710-M751 HydrophobicContact CE1-SD 4.09Å; F710-M751 HydrophobicContact CE2-SD 4.48Å; F710-M751 HydrophobicContact CZ-SD 4.17Å
711	S	97	Very high	87.6	Confident	12 Å²	12	34.5 Å²	34.5	8%	0.084	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151	-176.8	-172.7	0	0	0	0	111.2	W721 T722 M751 V753	S711-W721 CarbonylContact O-C 3.48Å; S711-W721 WeakPolarHBondContact O-CA 3.44Å; S711-W721 WeakPolarHBondContact O-CB 3.33Å; S711-T722 WeakPolarHBondContact CB-OG1 3.48Å; S711-T722 PolarHBondContact N-OG1 3.34Å; S711-T722 PolarHBondContact O-N 2.75Å; S711-M751 WeakPolarHBondContact CB-O 3.11Å; S711-V753 PolarHBondContact OG-N 3.12Å
712	I	97.6	Very high	88.2	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.7	177.9	-173.6	166.5	0	0	0	110.3	T668 V679 I686 L719 Y720 W721	T668-I712 WeakPolarHBondContact CB-O 3.38Å; T668-I712 HydrophobicContact CG2-CG1 4.29Å; T668-I712 HydrophobicContact CG2-CG2 4.15Å; V679-I712 HydrophobicContact CG1-CB 4Å; V679-I712 HydrophobicContact CG1-CD1 3.84Å; V679-I712 HydrophobicContact CG1-CG1 4.45Å; V679-I712 HydrophobicContact CG1-CG2 4.35Å; V679-I712 HydrophobicContact CG2-CG2 4.46Å; I686-I712 HydrophobicContact CD1-CD1 4.35Å; I686-I712 HydrophobicContact CG2-CD1 3.71Å; I712-L719 HydrophobicContact CD1-CB 4.46Å; I712-L719 HydrophobicContact CD1-CD1 4.44Å; I712-L719 HydrophobicContact CD1-CD2 4.29Å; I712-Y720 CarbonylContact C-O 3.49Å; I712-Y720 VanDerWaalsContact CA-O 3.27Å; I712-Y720 WeakPolarHBondContact CA-O 3.43Å; I712-Y720 WeakPolarHBondContact CG1-O 3.4Å; I712-W721 HydrophobicContact CB-CB 4.16Å; I712-W721 HydrophobicContact CG1-CB 4.24Å
713	T	97.7	Very high	89.3	Confident	6 Å²	6	30.1 Å²	30.1	4%	0.037	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.4	175.9	-173.3	0	0	0	0	110.3	Y720 V753 V755	T713-Y720 PolarHBondContact N-O 2.97Å; T713-Y720 PolarHBondContact O-N 3.15Å; T713-V753 HydrophobicContact CG2-CG1 4.15Å; T713-V753 HydrophobicContact CG2-CG2 4.2Å; T713-V755 HydrophobicContact CG2-CG2 3.71Å; T713-V755 PolarHBondContact OG1-N 3.16Å
714	V	96.5	Very high	90.5	Very high	13 Å²	13	31 Å²	31	8%	0.079	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.6	-177.1	63	0	0	0	0	110.6	T668 D670 Y677 L719 K734	T668-V714 HydrophobicContact CG2-CB 4.09Å; T668-V714 HydrophobicContact CG2-CG1 4Å; D670-V714 HydrophobicContact CB-CG1 4.2Å; Y677-V714 HydrophobicContact CE2-CG2 4.49Å; V714-L719 HydrophobicContact CB-CD2 3.77Å; V714-L719 HydrophobicContact CG2-CD2 3.82Å; V714-K734 HydrophobicContact CG2-CD 4Å
715	F	95.3	Very high	91.6	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	131.4	169.7	-174.1	-111.9	0	0	0	110.3	A492 P497 E717 Q718 V755 H757 A759 V760	A492-F715 HydrophobicContact CB-CE2 4.27Å; A492-F715 HydrophobicContact CB-CZ 3.73Å; P497-F715 HydrophobicContact CB-CD1 4.09Å; P497-F715 HydrophobicContact CB-CE1 3.62Å; P497-F715 HydrophobicContact CB-CZ 4.11Å; P497-F715 HydrophobicContact CG-CD1 4.33Å; P497-F715 HydrophobicContact CG-CE1 3.76Å; F715-E717 PolarHBondContact O-N 2.96Å; F715-Q718 PolarHBondContact N-O 2.86Å; F715-Q718 PolarHBondContact O-N 3.02Å; F715-V755 HydrophobicContact CB-CB 4.19Å; F715-V755 HydrophobicContact CB-CG1 3.84Å; F715-V755 HydrophobicContact CB-CG2 3.8Å; F715-V755 HydrophobicContact CD1-CG1 4.3Å; F715-V755 HydrophobicContact CD2-CG1 3.88Å; F715-V755 HydrophobicContact CE2-CG1 4.5Å; F715-V755 HydrophobicContact CG-CG1 3.76Å; F715-H757 HydrophobicContact CE2-CB 3.94Å; F715-H757 AromaticContact CE2-CG 3.83Å; F715-H757 AromaticContact CE2-ND1 3.66Å; F715-H757 HydrophobicContact CZ-CB 4.13Å; F715-H757 AromaticContact CZ-CG 3.72Å; F715-H757 AromaticContact CZ-ND1 3.72Å; F715-A759 HydrophobicContact CE2-CB 4.49Å; F715-V760 HydrophobicContact CD2-CG2 3.54Å; F715-V760 HydrophobicContact CE2-CG2 3.92Å
716	E	93.2	Very high	92.3	Very high	41 Å²	41	24.4 Å²	24.4	19%	0.192	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-120.9	-176.5	-61.3	176.4	165.2	0	0	112	Y481 R491 A492 K734	Y481-E716 HydrophobicContact CE1-CG 4.26Å; R491-E716 WeakPolarHBondContact CA-OE1 3.39Å; R491-E716 WeakPolarHBondContact CG-OE1 3.21Å; A492-E716 PolarHBondContact N-OE1 2.78Å; E716-K734 WeakPolarHBondContact O-CD 3.31Å; E716-K734 WeakPolarHBondContact O-CE 3.5Å; E716-K734 PolarHBondContact O-NZ 3.47Å
717	E	92.1	Very high	92.7	Very high	22 Å²	22	26.4 Å²	26.4	10%	0.103	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7.5	175.6	-61.1	-164	-171	0	0	113.6	S463 R488 S489 F715 N733 K734 F735	S463-E717 WeakPolarHBondContact CB-OE1 2.79Å; S463-E717 WeakPolarHBondContact OG-CG 3.38Å; S463-E717 PolarHBondContact OG-OE1 2.66Å; R488-E717 IonicContact CZ-OE1 3.33Å; R488-E717 IonicContact CZ-OE2 3.99Å; R488-E717 IonicContact NH1-OE1 2.7Å; R488-E717 PolarHBondContact NH1-OE1 2.99Å; R488-E717 IonicContact NH1-OE2 3.96Å; R488-E717 PolarHBondContact NH1-OE2 2.78Å; R488-E717 IonicContact NH2-OE1 3.53Å; R488-E717 IonicContact NH2-OE2 3.65Å; R488-E717 PolarHBondContact NH2-OE2 3.18Å; S489-E717 PolarHBondContact OG-OE1 3.23Å; F715-E717 PolarHBondContact O-N 2.96Å; E717-N733 CarbonylContact O-C 3.44Å; E717-N733 WeakPolarHBondContact O-CA 3.12Å; E717-N733 PolarHBondContact OE2-ND2 3.17Å; E717-K734 PolarHBondContact O-N 2.96Å; E717-F735 HydrophobicContact CB-CE2 4.37Å; E717-F735 HydrophobicContact CG-CE2 4.02Å
718	Q	94.4	Very high	93	Very high	62 Å²	62	22 Å²	22	29%	0.29	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.5	-168.7	-60	-176.4	29	0	0	112.3	F715 Y720 V731 A732	F715-Q718 PolarHBondContact N-O 2.86Å; F715-Q718 PolarHBondContact O-N 3.02Å; Q718-Y720 HydrophobicContact CB-CE2 3.81Å; Q718-Y720 PolarHBondContact OE1-OH 3.12Å; Q718-V731 HydrophobicContact CB-CG2 3.91Å; Q718-V731 HydrophobicContact CG-CG2 4.32Å; Q718-A732 WeakPolarHBondContact CA-O 3.49Å
719	L	96	Very high	93.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.1	167.1	-66.7	172.2	0	0	0	108.6	Y677 I686 I699 I712 V714 V731 A732 K734	Y677-L719 HydrophobicContact CD1-CD1 3.8Å; Y677-L719 HydrophobicContact CD1-CD2 3.87Å; Y677-L719 HydrophobicContact CD1-CG 4.44Å; Y677-L719 HydrophobicContact CD2-CD2 4.35Å; Y677-L719 HydrophobicContact CE1-CD1 4.17Å; Y677-L719 HydrophobicContact CE1-CD2 4.31Å; Y677-L719 HydrophobicContact CG-CD2 3.9Å; I686-L719 HydrophobicContact CG2-CD1 3.98Å; I699-L719 HydrophobicContact CG2-CD1 4.22Å; I712-L719 HydrophobicContact CD1-CB 4.46Å; I712-L719 HydrophobicContact CD1-CD1 4.44Å; I712-L719 HydrophobicContact CD1-CD2 4.29Å; V714-L719 HydrophobicContact CB-CD2 3.77Å; V714-L719 HydrophobicContact CG2-CD2 3.82Å; L719-V731 CarbonylContact O-C 3.6Å; L719-V731 WeakPolarHBondContact O-CA 3.34Å; L719-V731 WeakPolarHBondContact O-CG2 3.45Å; L719-A732 PolarHBondContact N-O 3.01Å; L719-A732 PolarHBondContact O-N 3.28Å; L719-K734 HydrophobicContact CD1-CB 4.03Å; L719-K734 HydrophobicContact CD2-CB 4.14Å; L719-K734 HydrophobicContact CG-CB 3.66Å
720	Y	96.1	Very high	93.3	Very high	14 Å²	14	21.2 Å²	21.2	6%	0.055	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.5	172.6	-59.3	-97.9	0	0	0	109.4	L499 L512 I712 T713 Q718 H730 V731 V743 V755	L499-Y720 HydrophobicContact CD1-CD1 3.99Å; L499-Y720 HydrophobicContact CD1-CE1 4.31Å; L499-Y720 HydrophobicContact CD2-CD1 4.3Å; L499-Y720 HydrophobicContact CD2-CG 4.28Å; L512-Y720 HydrophobicContact CD1-CE1 4.47Å; L512-Y720 HydrophobicContact CD2-CE1 4.12Å; I712-Y720 CarbonylContact C-O 3.49Å; I712-Y720 VanDerWaalsContact CA-O 3.27Å; I712-Y720 WeakPolarHBondContact CA-O 3.43Å; I712-Y720 WeakPolarHBondContact CG1-O 3.4Å; T713-Y720 PolarHBondContact N-O 2.97Å; T713-Y720 PolarHBondContact O-N 3.15Å; Q718-Y720 HydrophobicContact CB-CE2 3.81Å; Q718-Y720 PolarHBondContact OE1-OH 3.12Å; Y720-H730 VanDerWaalsContact CA-O 3.22Å; Y720-H730 WeakPolarHBondContact CA-O 3.28Å; Y720-V731 HydrophobicContact CD1-CB 3.83Å; Y720-V731 HydrophobicContact CD1-CG2 3.79Å; Y720-V731 HydrophobicContact CE1-CB 3.91Å; Y720-V731 HydrophobicContact CE1-CG2 3.57Å; Y720-V731 HydrophobicContact CE2-CG2 4.31Å; Y720-V731 HydrophobicContact CG-CG2 4.27Å; Y720-V743 HydrophobicContact CD1-CG2 4.18Å; Y720-V743 HydrophobicContact CE1-CG2 4.24Å; Y720-V755 HydrophobicContact CD2-CG2 4.03Å; Y720-V755 HydrophobicContact CE2-CG2 4.26Å
721	W	96.3	Very high	93.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153	175.9	71.3	94.8	0	0	0	112.3	V679 I686 L700 S711 I712 V729 H730 A732 N740	V679-W721 HydrophobicContact CG1-CB 4.39Å; I686-W721 HydrophobicContact CD1-CD2 3.77Å; I686-W721 HydrophobicContact CD1-CE3 3.68Å; I686-W721 HydrophobicContact CD1-CG 4.38Å; I686-W721 HydrophobicContact CD1-CH2 4.26Å; I686-W721 HydrophobicContact CD1-CZ2 4.32Å; I686-W721 HydrophobicContact CD1-CZ3 3.94Å; L700-W721 HydrophobicContact CD2-CH2 3.89Å; L700-W721 HydrophobicContact CD2-CZ2 4.04Å; S711-W721 CarbonylContact O-C 3.48Å; S711-W721 WeakPolarHBondContact O-CA 3.44Å; S711-W721 WeakPolarHBondContact O-CB 3.33Å; I712-W721 HydrophobicContact CB-CB 4.16Å; I712-W721 HydrophobicContact CG1-CB 4.24Å; W721-V729 CarbonylContact O-C 3.59Å; W721-V729 WeakPolarHBondContact O-CA 3.49Å; W721-H730 HydrophobicContact CD2-CB 3.72Å; W721-H730 AromaticContact CE2-CG 3.86Å; W721-H730 HydrophobicContact CE3-CB 4.04Å; W721-H730 HydrophobicContact CG-CB 4.4Å; W721-H730 HydrophobicContact CH2-CB 3.59Å; W721-H730 HydrophobicContact CZ2-CB 3.23Å; W721-H730 AromaticContact CZ2-CG 3.8Å; W721-H730 HydrophobicContact CZ3-CB 3.98Å; W721-H730 PolarHBondContact N-O 2.84Å; W721-H730 VanDerWaalsContact N-O 3.07Å; W721-H730 AromaticContact NE1-CG 3.88Å; W721-H730 PolarHBondContact O-N 2.82Å; W721-A732 HydrophobicContact CH2-CB 3.84Å; W721-A732 HydrophobicContact CZ3-CB 3.66Å; W721-N740 WeakPolarHBondContact CH2-OD1 3.21Å
722	T	95.7	Very high	93.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142	171.7	47.3	0	0	0	0	110.2	L501 P709 F710 S711 G728 V729 V750 M751 V753	L501-T722 HydrophobicContact CD1-CG2 3.63Å; P709-T722 CarbonylContact C-O 3.59Å; P709-T722 WeakPolarHBondContact CA-O 3.3Å; F710-T722 PolarHBondContact N-O 2.78Å; S711-T722 WeakPolarHBondContact CB-OG1 3.48Å; S711-T722 PolarHBondContact N-OG1 3.34Å; S711-T722 PolarHBondContact O-N 2.75Å; T722-G728 WeakPolarHBondContact CA-O 3.35Å; T722-V729 HydrophobicContact CG2-CG2 3.98Å; T722-V750 HydrophobicContact CG2-CB 4.1Å; T722-V750 HydrophobicContact CG2-CG2 4.5Å; T722-M751 WeakPolarHBondContact CB-O 3.37Å; T722-M751 WeakPolarHBondContact CG2-O 3.34Å; T722-M751 PolarHBondContact OG1-O 2.68Å; T722-V753 HydrophobicContact CG2-CB 3.84Å; T722-V753 HydrophobicContact CG2-CG1 3.87Å
723	D	92.1	Very high	92.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.9	176.3	-170.1	-53.5	0	0	0	110.2	Y707 H708 S725 T726 D727 G728	Y707-D723 PolarHBondContact N-OD2 3.49Å; H708-D723 PolarHBondContact N-OD1 3.43Å; H708-D723 VanDerWaalsContact N-OD1 3.17Å; H708-D723 PolarHBondContact N-OD2 3.14Å; D723-S725 VanDerWaalsContact C-N 3.32Å; D723-S725 PolarHBondContact O-N 3.01Å; D723-S725 PolarHBondContact OD1-N 2.92Å; D723-T726 PolarHBondContact O-N 2.81Å; D723-T726 PolarHBondContact O-OG1 2.87Å; D723-T726 VanDerWaalsContact O-OG1 3.07Å; D723-D727 PolarHBondContact O-N 2.78Å; D723-G728 PolarHBondContact N-O 2.71Å; D723-G728 PolarHBondContact O-N 2.85Å
724	W	89.9	Confident	92.7	Very high	81 Å²	81	21.2 Å²	21.2	31%	0.307	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-63.5	-34.4	-175.7	-66.2	-15.9	0	0	0	112.8	H708 F710 T726 D727 V750 M751	H708-W724 HydrophobicContact CB-CB 4.3Å; H708-W724 AromaticContact CD2-CD2 3.86Å; H708-W724 AromaticContact CD2-CE3 3.25Å; H708-W724 AromaticContact CD2-CZ3 3.61Å; H708-W724 AromaticContact CG-CE3 3.86Å; H708-W724 AromaticContact NE2-CE3 3.67Å; H708-W724 AromaticContact NE2-CZ3 3.5Å; H708-W724 PolarHBondContact O-N 3.01Å; F710-W724 HydrophobicContact CB-CZ2 4.37Å; F710-W724 AromaticContact CD2-CE2 3.67Å; F710-W724 AromaticContact CD2-CH2 3.96Å; F710-W724 HydrophobicContact CD2-CH2 3.96Å; F710-W724 AromaticContact CD2-CZ2 3.17Å; F710-W724 HydrophobicContact CD2-CZ2 3.17Å; F710-W724 AromaticContact CD2-NE1 3.92Å; F710-W724 HydrophobicContact CE2-CH2 4.25Å; F710-W724 AromaticContact CE2-CZ2 3.59Å; F710-W724 HydrophobicContact CE2-CZ2 3.59Å; F710-W724 AromaticContact CG-CE2 3.98Å; F710-W724 AromaticContact CG-CZ2 3.93Å; F710-W724 HydrophobicContact CG-CZ2 3.93Å; F710-W724 AromaticContact CG-NE1 3.74Å; W724-T726 PolarHBondContact O-N 3.01Å; W724-D727 PolarHBondContact O-N 3.1Å; W724-V750 PolarHBondContact NE1-O 3.18Å; W724-M751 HydrophobicContact CZ2-CE 4.42Å; W724-M751 HydrophobicContact CZ2-SD 4.13Å
725	S	84.4	Confident	92.4	Very high	78 Å²	78	22.5 Å²	22.5	55%	0.545	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-73.5	-20.1	-177.2	-52	0	0	0	0	112.9	Y707 D723	Y707-S725 WeakPolarHBondContact CB-OG 3.32Å; D723-S725 VanDerWaalsContact C-N 3.32Å; D723-S725 PolarHBondContact O-N 3.01Å; D723-S725 PolarHBondContact OD1-N 2.92Å
726	T	85.5	Confident	92	Very high	39 Å²	39	25.6 Å²	25.6	24%	0.239	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-102.1	-3.2	176.1	61.4	0	0	0	0	113.4	Y707 D723 W724 G728 H730	Y707-T726 HydrophobicContact CD2-CG2 4.14Å; Y707-T726 HydrophobicContact CE2-CG2 4.32Å; D723-T726 PolarHBondContact O-N 2.81Å; D723-T726 PolarHBondContact O-OG1 2.87Å; D723-T726 VanDerWaalsContact O-OG1 3.07Å; W724-T726 PolarHBondContact O-N 3.01Å; T726-G728 PolarHBondContact O-N 3.11Å; T726-H730 PolarHBondContact OG1-NE2 2.8Å
727	D	88.2	Confident	91.7	Very high	42 Å²	42	23.9 Å²	23.9	23%	0.225	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	44	48.9	-172.1	-75.9	-50.9	0	0	0	112.1	D723 W724 N745 G746 I747 F748 G749	D723-D727 PolarHBondContact O-N 2.78Å; W724-D727 PolarHBondContact O-N 3.1Å; D727-N745 CarbonylContact O-C 3.58Å; D727-G746 PolarHBondContact O-N 2.86Å; D727-I747 PolarHBondContact O-N 2.93Å; D727-F748 WeakPolarHBondContact OD2-CD1 3Å; D727-G749 PolarHBondContact OD1-N 2.91Å
728	G	89.3	Confident	91.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	171.6	-164	0	0	0	0	0	116.1	T722 D723 T726 M744	T722-G728 WeakPolarHBondContact CA-O 3.35Å; D723-G728 PolarHBondContact N-O 2.71Å; D723-G728 PolarHBondContact O-N 2.85Å; T726-G728 PolarHBondContact O-N 3.11Å; G728-M744 CarbonylContact C-O 3.59Å; G728-M744 WeakPolarHBondContact CA-O 3.34Å
729	V	93.8	Very high	90.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.4	174.3	-177.5	0	0	0	0	108.6	L499 L501 W721 T722 V743 M744 V753	L499-V729 HydrophobicContact CD1-CG1 4.14Å; L501-V729 HydrophobicContact CD1-CG2 3.84Å; L501-V729 HydrophobicContact CD2-CG2 4.05Å; W721-V729 CarbonylContact O-C 3.59Å; W721-V729 WeakPolarHBondContact O-CA 3.49Å; T722-V729 HydrophobicContact CG2-CG2 3.98Å; V729-V743 HydrophobicContact CB-CB 4.43Å; V729-V743 HydrophobicContact CG1-CB 4.41Å; V729-V743 WeakPolarHBondContact O-CA 3.25Å; V729-V743 WeakPolarHBondContact O-CB 3.1Å; V729-V743 PolarHBondContact O-N 2.95Å; V729-M744 PolarHBondContact N-O 3.26Å; V729-M744 PolarHBondContact O-N 3Å; V729-V753 HydrophobicContact CG1-CG2 4.36Å
730	H	93.1	Very high	90.3	Very high	9 Å²	9	33.4 Å²	33.4	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	162.3	177.1	-65	-114.5	0	0	0	110.6	Y720 W721 T726 R741	Y720-H730 VanDerWaalsContact CA-O 3.22Å; Y720-H730 WeakPolarHBondContact CA-O 3.28Å; W721-H730 HydrophobicContact CD2-CB 3.72Å; W721-H730 AromaticContact CE2-CG 3.86Å; W721-H730 HydrophobicContact CE3-CB 4.04Å; W721-H730 HydrophobicContact CG-CB 4.4Å; W721-H730 HydrophobicContact CH2-CB 3.59Å; W721-H730 HydrophobicContact CZ2-CB 3.23Å; W721-H730 AromaticContact CZ2-CG 3.8Å; W721-H730 HydrophobicContact CZ3-CB 3.98Å; W721-H730 PolarHBondContact N-O 2.84Å; W721-H730 VanDerWaalsContact N-O 3.07Å; W721-H730 AromaticContact NE1-CG 3.88Å; W721-H730 PolarHBondContact O-N 2.82Å; T726-H730 PolarHBondContact OG1-NE2 2.8Å; H730-R741 CarbonylContact C-O 3.58Å; H730-R741 WeakPolarHBondContact CA-O 3.03Å
731	V	94.2	Very high	90	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.4	175.4	66.2	0	0	0	0	111.5	Q718 L719 Y720 N740 R741 V743	Q718-V731 HydrophobicContact CB-CG2 3.91Å; Q718-V731 HydrophobicContact CG-CG2 4.32Å; L719-V731 CarbonylContact O-C 3.6Å; L719-V731 WeakPolarHBondContact O-CA 3.34Å; L719-V731 WeakPolarHBondContact O-CG2 3.45Å; Y720-V731 HydrophobicContact CD1-CB 3.83Å; Y720-V731 HydrophobicContact CD1-CG2 3.79Å; Y720-V731 HydrophobicContact CE1-CB 3.91Å; Y720-V731 HydrophobicContact CE1-CG2 3.57Å; Y720-V731 HydrophobicContact CE2-CG2 4.31Å; Y720-V731 HydrophobicContact CG-CG2 4.27Å; V731-N740 WeakPolarHBondContact O-CA 3.3Å; V731-R741 HydrophobicContact CG1-CG 3.41Å; V731-R741 VanDerWaalsContact CG1-CG 3.41Å; V731-R741 PolarHBondContact N-O 2.95Å; V731-R741 PolarHBondContact O-N 2.8Å; V731-V743 HydrophobicContact CB-CG2 3.56Å; V731-V743 HydrophobicContact CG1-CG2 3.41Å; V731-V743 VanDerWaalsContact CG1-CG2 3.41Å
732	A	93.9	Very high	89.6	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.033	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.3	174.5	0	0	0	0	0	111.7	Q718 L719 W721 N740	Q718-A732 WeakPolarHBondContact CA-O 3.49Å; L719-A732 PolarHBondContact N-O 3.01Å; L719-A732 PolarHBondContact O-N 3.28Å; W721-A732 HydrophobicContact CH2-CB 3.84Å; W721-A732 HydrophobicContact CZ3-CB 3.66Å; A732-N740 HydrophobicContact CB-CB 4.08Å
733	N	93.1	Very high	89.2	Confident	22 Å²	22	44.6 Å²	44.6	12%	0.118	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.6	174.2	-173.9	-79	0	0	0	111.2	E717 F735 T736 G737 E738	E717-N733 CarbonylContact O-C 3.44Å; E717-N733 WeakPolarHBondContact O-CA 3.12Å; E717-N733 PolarHBondContact OE2-ND2 3.17Å; N733-F735 VanDerWaalsContact C-N 3.26Å; N733-F735 PolarHBondContact O-N 3.2Å; N733-F735 WeakPolarHBondContact OD1-CB 3.27Å; N733-F735 PolarHBondContact OD1-N 3.33Å; N733-T736 PolarHBondContact OD1-N 3.35Å; N733-G737 VanDerWaalsContact O-CA 3.31Å; N733-G737 WeakPolarHBondContact O-CA 3.3Å; N733-G737 PolarHBondContact O-N 2.75Å; N733-E738 PolarHBondContact N-O 2.76Å
734	K	93.5	Very high	89	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.026	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.5	-175.3	78.7	-179.3	-176.1	-175.2	0	114.7	D670 Y677 I699 V714 E716 E717 L719	D670-K734 IonicContact OD2-NZ 3.87Å; D670-K734 PolarHBondContact OD2-NZ 2.73Å; Y677-K734 HydrophobicContact CE1-CB 4.16Å; I699-K734 VanDerWaalsContact CD1-O 3.28Å; I699-K734 WeakPolarHBondContact CD1-O 3.42Å; V714-K734 HydrophobicContact CG2-CD 4Å; E716-K734 WeakPolarHBondContact O-CD 3.31Å; E716-K734 WeakPolarHBondContact O-CE 3.5Å; E716-K734 PolarHBondContact O-NZ 3.47Å; E717-K734 PolarHBondContact O-N 2.96Å; L719-K734 HydrophobicContact CD1-CB 4.03Å; L719-K734 HydrophobicContact CD2-CB 4.14Å; L719-K734 HydrophobicContact CG-CB 3.66Å
735	F	90.4	Very high	88.7	Confident	40 Å²	40	47.8 Å²	47.8	18%	0.175	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-41.8	-177.7	-54.5	-71.9	0	0	0	112.7	P459 E717 N733	P459-F735 HydrophobicContact CB-CD1 4.04Å; E717-F735 HydrophobicContact CB-CE2 4.37Å; E717-F735 HydrophobicContact CG-CE2 4.02Å; N733-F735 VanDerWaalsContact C-N 3.26Å; N733-F735 PolarHBondContact O-N 3.2Å; N733-F735 WeakPolarHBondContact OD1-CB 3.27Å; N733-F735 PolarHBondContact OD1-N 3.33Å
736	T	86.9	Confident	88.5	Confident	73 Å²	73	46.7 Å²	46.7	45%	0.448	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-16.4	-172.1	62.7	0	0	0	0	114.5	N733 E738	N733-T736 PolarHBondContact OD1-N 3.35Å; T736-E738 PolarHBondContact O-N 2.78Å; T736-E738 WeakPolarHBondContact OG1-CB 3.39Å; T736-E738 WeakPolarHBondContact OG1-CG 3Å; T736-E738 PolarHBondContact OG1-N 2.81Å
737	G	86.6	Confident	88.4	Confident	5 Å²	5	45.3 Å²	45.3	5%	0.052	24%	0.244	C	C	.	.			trans	70.2	1.9	-170.5	0	0	0	0	0	114.2	I699 N733	I699-G737 WeakPolarHBondContact O-CA 3.5Å; N733-G737 VanDerWaalsContact O-CA 3.31Å; N733-G737 WeakPolarHBondContact O-CA 3.3Å; N733-G737 PolarHBondContact O-N 2.75Å
738	E	85.5	Confident	88.2	Confident	127 Å²	127	50.9 Å²	50.9	59%	0.593	27%	0.267	S	S	*	.			trans	-72.6	172	177.5	-65.2	-179.2	152.9	0	0	111.9	N733 T736 N740	N733-E738 PolarHBondContact N-O 2.76Å; T736-E738 PolarHBondContact O-N 2.78Å; T736-E738 WeakPolarHBondContact OG1-CB 3.39Å; T736-E738 WeakPolarHBondContact OG1-CG 3Å; T736-E738 PolarHBondContact OG1-N 2.81Å; E738-N740 PolarHBondContact O-N 2.79Å
739	N	84	Confident	88.1	Confident	132 Å²	132	52 Å²	52	71%	0.706	28%	0.278	S	S	*	.	S	Bend	trans	55.9	28.1	-175.4	-60.3	-34.4	0	0	0	113.5	R741	N739-R741 PolarHBondContact O-N 2.03Å
740	N	84.8	Confident	88	Confident	25 Å²	25	52 Å²	52	13%	0.134	28%	0.278	C	S	.	.			trans	-61.8	117.5	174.7	-179	-2.9	0	0	0	110.6	L700 R705 W721 V731 A732 E738	L700-N740 VanDerWaalsContact CD2-ND2 3.29Å; L700-N740 WeakPolarHBondContact CD2-ND2 3.13Å; R705-N740 WeakPolarHBondContact CD-ND2 3.27Å; W721-N740 WeakPolarHBondContact CH2-OD1 3.21Å; V731-N740 WeakPolarHBondContact O-CA 3.3Å; A732-N740 HydrophobicContact CB-CB 4.08Å; E738-N740 PolarHBondContact O-N 2.79Å
741	R	88.4	Confident	88.1	Confident	156 Å²	156	51.7 Å²	51.7	59%	0.589	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.5	177	66.2	-176.2	179.9	-156.1	0.1	111.1	H730 V731 N739	H730-R741 CarbonylContact C-O 3.58Å; H730-R741 WeakPolarHBondContact CA-O 3.03Å; V731-R741 HydrophobicContact CG1-CG 3.41Å; V731-R741 VanDerWaalsContact CG1-CG 3.41Å; V731-R741 PolarHBondContact N-O 2.95Å; V731-R741 PolarHBondContact O-N 2.8Å; N739-R741 PolarHBondContact O-N 2.03Å
742	V	88.1	Confident	88.3	Confident	71 Å²	71	52 Å²	52	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.1	168.7	-175.7	0	0	0	0	108.2	M744 N745	V742-M744 WeakPolarHBondContact CG1-O 3.26Å; V742-N745 HydrophobicContact CG1-CB 4.04Å
743	V	88.6	Confident	88.4	Confident	23 Å²	23	51.8 Å²	51.8	14%	0.139	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-44.6	172.9	179.5	0	0	0	0	109.3	L512 M515 Y720 V729 V731	L512-V743 HydrophobicContact CD2-CG1 4.27Å; M515-V743 HydrophobicContact CE-CG1 3.53Å; M515-V743 WeakPolarHBondContact CE-O 3.2Å; M515-V743 HydrophobicContact SD-CG1 4.38Å; Y720-V743 HydrophobicContact CD1-CG2 4.18Å; Y720-V743 HydrophobicContact CE1-CG2 4.24Å; V729-V743 HydrophobicContact CB-CB 4.43Å; V729-V743 HydrophobicContact CG1-CB 4.41Å; V729-V743 WeakPolarHBondContact O-CA 3.25Å; V729-V743 WeakPolarHBondContact O-CB 3.1Å; V729-V743 PolarHBondContact O-N 2.95Å; V731-V743 HydrophobicContact CB-CG2 3.56Å; V731-V743 HydrophobicContact CG1-CG2 3.41Å; V731-V743 VanDerWaalsContact CG1-CG2 3.41Å
744	M	86.2	Confident	88.6	Confident	31 Å²	31	52.2 Å²	52.2	15%	0.153	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	145	-178.5	-174.6	171.3	55.2	0	0	109.7	L501 I510 G728 V729 V742 I747	L501-M744 HydrophobicContact CD2-CE 3.62Å; I510-M744 HydrophobicContact CD1-CE 3.3Å; I510-M744 HydrophobicContact CD1-SD 4.5Å; I510-M744 HydrophobicContact CG1-CE 3.77Å; I510-M744 HydrophobicContact CG1-SD 4.37Å; G728-M744 CarbonylContact C-O 3.59Å; G728-M744 WeakPolarHBondContact CA-O 3.34Å; V729-M744 PolarHBondContact N-O 3.26Å; V729-M744 PolarHBondContact O-N 3Å; V742-M744 WeakPolarHBondContact CG1-O 3.26Å; M744-I747 HydrophobicContact CE-CD1 3.16Å; M744-I747 HydrophobicContact CE-CG1 4.25Å; M744-I747 HydrophobicContact CG-CD1 4.2Å; M744-I747 HydrophobicContact CG-CG1 4.49Å; M744-I747 HydrophobicContact SD-CD1 3.55Å; M744-I747 VanDerWaalsContact SD-CD1 3.55Å; M744-I747 HydrophobicContact SD-CG1 4.38Å
745	N	84.4	Confident	88.8	Confident	117 Å²	117	52 Å²	52	63%	0.626	28%	0.277	S	S	*	.			trans	-133	173.1	178.3	59.4	-7	0	0	0	110.9	D727 V742 I747	D727-N745 CarbonylContact O-C 3.58Å; V742-N745 HydrophobicContact CG1-CB 4.04Å; N745-I747 VanDerWaalsContact C-N 3.32Å; N745-I747 PolarHBondContact O-N 3.32Å
746	G	79.9	Confident	89.1	Confident	54 Å²	54	50.7 Å²	50.7	56%	0.557	27%	0.271	S	S	*	.			trans	76	18.5	175.8	0	0	0	0	0	114.2	D727	D727-G746 PolarHBondContact O-N 2.86Å
747	I	83.1	Confident	89.5	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.051	25%	0.25	C	S	.	.			trans	-99	93	171.2	-59.2	-166.7	0	0	0	108.1	L501 N503 D727 M744 N745 G749 V750	L501-I747 HydrophobicContact CD2-CD1 3.63Å; L501-I747 HydrophobicContact CD2-CG2 4.26Å; N503-I747 HydrophobicContact CB-CG2 3.47Å; N503-I747 VanDerWaalsContact CB-CG2 3.47Å; D727-I747 PolarHBondContact O-N 2.93Å; M744-I747 HydrophobicContact CE-CD1 3.16Å; M744-I747 HydrophobicContact CE-CG1 4.25Å; M744-I747 HydrophobicContact CG-CD1 4.2Å; M744-I747 HydrophobicContact CG-CG1 4.49Å; M744-I747 HydrophobicContact SD-CD1 3.55Å; M744-I747 VanDerWaalsContact SD-CD1 3.55Å; M744-I747 HydrophobicContact SD-CG1 4.38Å; N745-I747 VanDerWaalsContact C-N 3.32Å; N745-I747 PolarHBondContact O-N 3.32Å; I747-G749 PolarHBondContact O-N 3.26Å; I747-V750 HydrophobicContact CB-CG1 3.77Å; I747-V750 HydrophobicContact CG2-CG1 3.77Å; I747-V750 VanDerWaalsContact O-CG1 3.22Å; I747-V750 WeakPolarHBondContact O-CG1 2.99Å; I747-V750 PolarHBondContact O-N 2.75Å
748	F	84.9	Confident	89.8	Confident	160 Å²	160	48.9 Å²	48.9	70%	0.702	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	134.4	177.8	-66.5	-73.7	0	0	0	111.5	D727	D727-F748 WeakPolarHBondContact OD2-CD1 3Å
749	G	86.5	Confident	90.2	Very high	23 Å²	23	43.7 Å²	43.7	24%	0.237	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	32.1	175.9	0	0	0	0	0	114	N503 R504 D727 I747 M751	N503-G749 CarbonylContact C-O 3.44Å; N503-G749 VanDerWaalsContact C-O 3.31Å; N503-G749 WeakPolarHBondContact CA-O 3.43Å; R504-G749 PolarHBondContact N-O 3.4Å; D727-G749 PolarHBondContact OD1-N 2.91Å; I747-G749 PolarHBondContact O-N 3.26Å; G749-M751 PolarHBondContact O-N 3.25Å
750	V	92.7	Very high	90.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.			trans	-52	130.9	171.9	-74.1	0	0	0	0	111.5	L501 T722 W724 I747	L501-V750 HydrophobicContact CD1-CG1 4.27Å; L501-V750 HydrophobicContact CD2-CG1 4.18Å; T722-V750 HydrophobicContact CG2-CB 4.1Å; T722-V750 HydrophobicContact CG2-CG2 4.5Å; W724-V750 PolarHBondContact NE1-O 3.18Å; I747-V750 HydrophobicContact CB-CG1 3.77Å; I747-V750 HydrophobicContact CG2-CG1 3.77Å; I747-V750 VanDerWaalsContact O-CG1 3.22Å; I747-V750 WeakPolarHBondContact O-CG1 2.99Å; I747-V750 PolarHBondContact O-N 2.75Å
751	M	94.9	Very high	91.2	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	21%	0.213	C	C	.	.			trans	-118.9	-108.8	178	-65.3	-60.9	170.3	0	0	109.7	A502 R504 I528 F710 S711 T722 W724 G749	A502-M751 HydrophobicContact CB-CB 4.4Å; A502-M751 PolarHBondContact O-N 3.03Å; R504-M751 HydrophobicContact CG-CE 3.51Å; R504-M751 HydrophobicContact CG-CG 4.2Å; R504-M751 VanDerWaalsContact NH2-CE 3.28Å; I528-M751 HydrophobicContact CD1-CE 3.82Å; I528-M751 HydrophobicContact CD1-CG 4Å; I528-M751 HydrophobicContact CD1-SD 3.86Å; I528-M751 WeakPolarHBondContact O-CB 3.47Å; F710-M751 HydrophobicContact CD1-CB 4.39Å; F710-M751 WeakPolarHBondContact CD1-O 3.26Å; F710-M751 HydrophobicContact CD1-SD 4.33Å; F710-M751 HydrophobicContact CE1-CB 4.16Å; F710-M751 HydrophobicContact CE1-SD 4.09Å; F710-M751 HydrophobicContact CE2-SD 4.48Å; F710-M751 HydrophobicContact CZ-SD 4.17Å; S711-M751 WeakPolarHBondContact CB-O 3.11Å; T722-M751 WeakPolarHBondContact CB-O 3.37Å; T722-M751 WeakPolarHBondContact CG2-O 3.34Å; T722-M751 PolarHBondContact OG1-O 2.68Å; W724-M751 HydrophobicContact CZ2-CE 4.42Å; W724-M751 HydrophobicContact CZ2-SD 4.13Å; G749-M751 PolarHBondContact O-N 3.25Å
752	T	97	Very high	91.3	Very high	10 Å²	10	32.6 Å²	32.6	6%	0.061	19%	0.193	C	C	.	.			trans	-84.5	136.7	-173.5	-64.4	0	0	0	0	112	L501 A502 I528 I530 K754	L501-T752 WeakPolarHBondContact CA-O 2.92Å; A502-T752 PolarHBondContact N-O 3.23Å; I528-T752 WeakPolarHBondContact O-CB 3.33Å; I528-T752 PolarHBondContact O-OG1 2.97Å; I530-T752 HydrophobicContact CG1-CG2 3.61Å; T752-K754 HydrophobicContact CG2-CD 4.49Å; T752-K754 HydrophobicContact CG2-CG 4.12Å
753	V	97	Very high	91.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.1	169.7	61	0	0	0	0	110.1	L499 L500 L501 S711 T713 T722 V729	L499-V753 HydrophobicContact CB-CG2 4.42Å; L499-V753 HydrophobicContact CD1-CG2 4.36Å; L499-V753 HydrophobicContact CD2-CG2 4.32Å; L500-V753 CarbonylContact O-C 3.58Å; L500-V753 WeakPolarHBondContact O-CA 2.98Å; L501-V753 HydrophobicContact CD1-CB 4.23Å; S711-V753 PolarHBondContact OG-N 3.12Å; T713-V753 HydrophobicContact CG2-CG1 4.15Å; T713-V753 HydrophobicContact CG2-CG2 4.2Å; T722-V753 HydrophobicContact CG2-CB 3.84Å; T722-V753 HydrophobicContact CG2-CG1 3.87Å; V729-V753 HydrophobicContact CG1-CG2 4.36Å
754	K	97.6	Very high	91.2	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.13	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.7	175.2	-64.7	-71.4	-173.6	164.8	0	109.9	L499 L500 I530 Y532 T752	L499-K754 CarbonylContact C-O 3.49Å; L499-K754 WeakPolarHBondContact CA-O 3.34Å; L500-K754 HydrophobicContact CB-CB 4.49Å; L500-K754 PolarHBondContact N-O 3.49Å; L500-K754 PolarHBondContact O-N 3.33Å; I530-K754 HydrophobicContact CG1-CG 4.23Å; I530-K754 WeakPolarHBondContact O-CE 3.24Å; Y532-K754 HydrophobicContact CE1-CB 4.29Å; T752-K754 HydrophobicContact CG2-CD 4.49Å; T752-K754 HydrophobicContact CG2-CG 4.12Å
755	V	96.9	Very high	91.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.2	168.5	173.1	0	0	0	0	109	P497 L499 Y532 T713 F715 Y720 H757 V760	P497-V755 HydrophobicContact CB-CG1 4.45Å; L499-V755 HydrophobicContact CD2-CB 4.4Å; L499-V755 HydrophobicContact CD2-CG2 3.6Å; Y532-V755 WeakPolarHBondContact CE1-O 3.32Å; Y532-V755 PolarHBondContact OH-O 3.4Å; T713-V755 HydrophobicContact CG2-CG2 3.71Å; T713-V755 PolarHBondContact OG1-N 3.16Å; F715-V755 HydrophobicContact CB-CB 4.19Å; F715-V755 HydrophobicContact CB-CG1 3.84Å; F715-V755 HydrophobicContact CB-CG2 3.8Å; F715-V755 HydrophobicContact CD1-CG1 4.3Å; F715-V755 HydrophobicContact CD2-CG1 3.88Å; F715-V755 HydrophobicContact CE2-CG1 4.5Å; F715-V755 HydrophobicContact CG-CG1 3.76Å; Y720-V755 HydrophobicContact CD2-CG2 4.03Å; Y720-V755 HydrophobicContact CE2-CG2 4.26Å; V755-H757 HydrophobicContact CG1-CB 4.28Å; V755-V760 HydrophobicContact CB-CG2 4.35Å; V755-V760 HydrophobicContact CG1-CG2 3.97Å
756	F	96.1	Very high	91.5	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	98.2	178.6	-169.6	-98.3	0	0	0	110.6	K498 L500 Y532 Y534 M554 Y558	K498-F756 HydrophobicContact CB-CB 4.27Å; K498-F756 PolarHBondContact N-O 3.41Å; K498-F756 PolarHBondContact O-N 2.88Å; L500-F756 HydrophobicContact CD1-CB 4.34Å; L500-F756 HydrophobicContact CD1-CD2 3.56Å; L500-F756 HydrophobicContact CD1-CE2 4.26Å; L500-F756 HydrophobicContact CD1-CG 4.27Å; L500-F756 HydrophobicContact CG-CB 4.04Å; L500-F756 HydrophobicContact CG-CD2 4.09Å; L500-F756 HydrophobicContact CG-CG 4.3Å; Y532-F756 HydrophobicContact CD1-CD2 4.05Å; Y532-F756 AromaticContact CD2-CD2 3.6Å; Y532-F756 HydrophobicContact CD2-CD2 3.6Å; Y532-F756 AromaticContact CD2-CE2 3.44Å; Y532-F756 HydrophobicContact CD2-CE2 3.44Å; Y532-F756 VanDerWaalsContact CD2-CE2 3.44Å; Y532-F756 AromaticContact CE1-CD2 3.94Å; Y532-F756 HydrophobicContact CE1-CD2 3.94Å; Y532-F756 AromaticContact CE2-CD2 3.48Å; Y532-F756 HydrophobicContact CE2-CD2 3.48Å; Y532-F756 VanDerWaalsContact CE2-CD2 3.48Å; Y532-F756 AromaticContact CE2-CE2 3.64Å; Y532-F756 HydrophobicContact CE2-CE2 3.64Å; Y532-F756 HydrophobicContact CE2-CG 4.44Å; Y532-F756 AromaticContact CG-CD2 3.9Å; Y532-F756 HydrophobicContact CG-CD2 3.9Å; Y532-F756 AromaticContact CG-CE2 3.96Å; Y532-F756 HydrophobicContact CG-CE2 3.96Å; Y532-F756 AromaticContact CZ-CD2 3.67Å; Y532-F756 WeakPolarHBondContact OH-CA 3.46Å; Y534-F756 HydrophobicContact CD2-CE1 4.11Å; Y534-F756 HydrophobicContact CD2-CE2 4.22Å; Y534-F756 AromaticContact CD2-CZ 3.83Å; Y534-F756 HydrophobicContact CD2-CZ 3.83Å; Y534-F756 HydrophobicContact CE2-CD1 4.49Å; Y534-F756 AromaticContact CE2-CE1 3.83Å; Y534-F756 HydrophobicContact CE2-CE1 3.83Å; Y534-F756 AromaticContact CE2-CZ 3.98Å; Y534-F756 HydrophobicContact CE2-CZ 3.98Å; M554-F756 HydrophobicContact CE-CE2 4.19Å; M554-F756 HydrophobicContact CE-CZ 4.41Å; Y558-F756 HydrophobicContact CD1-CE1 4.08Å; Y558-F756 AromaticContact CD1-CZ 3.45Å; Y558-F756 HydrophobicContact CD1-CZ 3.45Å; Y558-F756 VanDerWaalsContact CD1-CZ 3.45Å; Y558-F756 HydrophobicContact CD2-CE1 4.4Å; Y558-F756 AromaticContact CE1-CZ 3.99Å; Y558-F756 HydrophobicContact CE1-CZ 3.99Å; Y558-F756 AromaticContact CG-CE1 3.9Å; Y558-F756 HydrophobicContact CG-CE1 3.9Å; Y558-F756 AromaticContact CG-CZ 3.73Å; Y558-F756 HydrophobicContact CG-CZ 3.73Å
757	H	95.4	Very high	91.8	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.014	20%	0.196	C	C	.	.			trans	-162.8	141.7	179.9	-172.6	-88.5	0	0	0	110.6	P495 P497 Y532 F715 V755 A759 V760	P495-H757 PolarHBondContact O-CD2 3.16Å; P495-H757 PolarHBondContact O-NE2 3.33Å; P497-H757 HydrophobicContact CB-CB 4.42Å; Y532-H757 PolarHBondContact OH-N 2.62Å; F715-H757 HydrophobicContact CE2-CB 3.94Å; F715-H757 AromaticContact CE2-CG 3.83Å; F715-H757 AromaticContact CE2-ND1 3.66Å; F715-H757 HydrophobicContact CZ-CB 4.13Å; F715-H757 AromaticContact CZ-CG 3.72Å; F715-H757 AromaticContact CZ-ND1 3.72Å; V755-H757 HydrophobicContact CG1-CB 4.28Å; H757-A759 VanDerWaalsContact C-N 3.27Å; H757-A759 VanDerWaalsContact CE1-CB 3.47Å; H757-A759 WeakPolarHBondContact CE1-CB 3.18Å; H757-A759 WeakPolarHBondContact ND1-CB 2.99Å; H757-A759 PolarHBondContact ND1-N 2.75Å; H757-A759 PolarHBondContact O-N 2.98Å; H757-V760 HydrophobicContact CB-CG2 4.31Å; H757-V760 WeakPolarHBondContact O-CB 3.23Å; H757-V760 PolarHBondContact O-N 2.82Å; H757-V760 VanDerWaalsContact O-N 3.12Å
758	P	94.5	Very high	92.2	Very high	37 Å²	37	36.6 Å²	36.6	24%	0.24	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.8	-179	19.2	-30.6	0	0	0	113.7	P495 Y534 V760 Q761	P495-P758 HydrophobicContact CG-CG 4.24Å; Y534-P758 HydrophobicContact CD1-CB 3.79Å; Y534-P758 HydrophobicContact CE1-CB 3.59Å; Y534-P758 HydrophobicContact CE1-CG 4.01Å; Y534-P758 HydrophobicContact CE2-CB 4.44Å; Y534-P758 HydrophobicContact CE2-CG 4.42Å; Y534-P758 HydrophobicContact CG-CB 4.31Å; P758-V760 PolarHBondContact O-N 3.41Å; P758-Q761 CarbonylContact O-C 3.54Å; P758-Q761 VanDerWaalsContact O-C 3.27Å; P758-Q761 PolarHBondContact O-N 2.88Å
759	A	93.5	Very high	92.3	Very high	19 Å²	19	36.4 Å²	36.4	16%	0.157	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-67.3	-13.2	-179.7	0	0	0	0	0	114.7	Y481 A492 F715 H757 Q761	Y481-A759 HydrophobicContact CE2-CB 4.19Å; Y481-A759 PolarHBondContact OH-O 2.81Å; A492-A759 HydrophobicContact CB-CB 3.87Å; F715-A759 HydrophobicContact CE2-CB 4.49Å; H757-A759 VanDerWaalsContact C-N 3.27Å; H757-A759 VanDerWaalsContact CE1-CB 3.47Å; H757-A759 WeakPolarHBondContact CE1-CB 3.18Å; H757-A759 WeakPolarHBondContact ND1-CB 2.99Å; H757-A759 PolarHBondContact ND1-N 2.75Å; H757-A759 PolarHBondContact O-N 2.98Å; A759-Q761 VanDerWaalsContact C-N 3.32Å
760	V	93.8	Very high	92.2	Very high	41 Å²	41	42.8 Å²	42.8	25%	0.248	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-77.5	-23.3	171.4	-179.8	0	0	0	0	111.1	L671 F715 V755 H757 P758 P762	L671-V760 WeakPolarHBondContact CD1-O 3.48Å; F715-V760 HydrophobicContact CD2-CG2 3.54Å; F715-V760 HydrophobicContact CE2-CG2 3.92Å; V755-V760 HydrophobicContact CB-CG2 4.35Å; V755-V760 HydrophobicContact CG1-CG2 3.97Å; H757-V760 HydrophobicContact CB-CG2 4.31Å; H757-V760 WeakPolarHBondContact O-CB 3.23Å; H757-V760 PolarHBondContact O-N 2.82Å; H757-V760 VanDerWaalsContact O-N 3.12Å; P758-V760 PolarHBondContact O-N 3.41Å; V760-P762 VanDerWaalsContact C-CD 3.48Å; V760-P762 WeakPolarHBondContact O-CD 3.18Å
761	Q	94.6	Very high	91.9	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.056	24%	0.24	C	C	.	.	S	Bend	trans	-120.4	72	178.9	-67.5	-170.4	-16.2	0	0	110.8	Y532 W585 P758 A759	Y532-Q761 PolarHBondContact O-NE2 2.7Å; W585-Q761 HydrophobicContact CD2-CB 3.71Å; W585-Q761 HydrophobicContact CD2-CG 3.59Å; W585-Q761 HydrophobicContact CE3-CB 4.31Å; W585-Q761 HydrophobicContact CE3-CG 3.68Å; W585-Q761 HydrophobicContact CG-CB 3.89Å; W585-Q761 HydrophobicContact CG-CG 4.07Å; W585-Q761 HydrophobicContact CH2-CG 4.33Å; W585-Q761 HydrophobicContact CZ2-CB 4.14Å; W585-Q761 HydrophobicContact CZ2-CG 4.24Å; W585-Q761 HydrophobicContact CZ3-CG 4.06Å; P758-Q761 CarbonylContact O-C 3.54Å; P758-Q761 VanDerWaalsContact O-C 3.27Å; P758-Q761 PolarHBondContact O-N 2.88Å; A759-Q761 VanDerWaalsContact C-N 3.32Å
762	P	90.8	Very high	91.5	Very high	26 Å²	26	46.6 Å²	46.6	17%	0.169	26%	0.258	C	S	.	.			trans	-59.3	150	-178.4	-20.3	30.9	0	0	0	112.6	W585 V760 W764	W585-P762 PolarHBondContact NE1-O 3.05Å; V760-P762 VanDerWaalsContact C-CD 3.48Å; V760-P762 WeakPolarHBondContact O-CD 3.18Å; P762-W764 HydrophobicContact CB-CD2 4.41Å; P762-W764 HydrophobicContact CB-CH2 4.34Å; P762-W764 HydrophobicContact CB-CZ2 3.65Å; P762-W764 HydrophobicContact CG-CZ2 3.96Å; P762-W764 PolarHBondContact O-N 3.46Å
763	D	87.5	Confident	91.3	Very high	124 Å²	124	47.1 Å²	47.1	66%	0.663	26%	0.262	S	S	*	.			trans	-78.2	89.1	179.8	-70.1	-40.6	0	0	0	111.1	R535	R535-D763 IonicContact CZ-OD1 3.56Å; R535-D763 VanDerWaalsContact CZ-OD1 3.31Å; R535-D763 IonicContact NE-OD1 3.08Å; R535-D763 PolarHBondContact NE-OD1 2.86Å; R535-D763 VanDerWaalsContact NE-OD1 3.15Å; R535-D763 IonicContact NH2-OD1 3.28Å; R535-D763 PolarHBondContact NH2-OD1 3.27Å
764	W	87.3	Confident	91	Very high	51 Å²	51	51.6 Å²	51.6	19%	0.193	28%	0.283	C	S	.	.			trans	-86.8	151.2	175.3	-58.5	119.4	0	0	0	112.8	V586 A629 P762 N766 Q905	V586-W764 HydrophobicContact CG1-CB 4.44Å; V586-W764 HydrophobicContact CG2-CB 4Å; A629-W764 HydrophobicContact CB-CD2 3.93Å; A629-W764 HydrophobicContact CB-CG 3.82Å; P762-W764 HydrophobicContact CB-CD2 4.41Å; P762-W764 HydrophobicContact CB-CH2 4.34Å; P762-W764 HydrophobicContact CB-CZ2 3.65Å; P762-W764 HydrophobicContact CG-CZ2 3.96Å; P762-W764 PolarHBondContact O-N 3.46Å; W764-N766 PolarHBondContact O-N 2.9Å; W764-Q905 HydrophobicContact CH2-CG 3.63Å; W764-Q905 HydrophobicContact CZ3-CG 3.99Å
765	P	86.6	Confident	90.8	Very high	90 Å²	90	50.6 Å²	50.6	58%	0.584	28%	0.279	S	S	*	.			trans	-59.3	130.7	171.1	-22.3	33.1	0	0	0	111.5	K767	P765-K767 PolarHBondContact O-N 2.03Å
766	N	90.1	Very high	90.6	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.283	28%	0.278	S	S	.	.			trans	-75.5	112.1	178.3	-175.5	-19.5	0	0	0	110.2	V586 H587 W764 C768 E769	V586-N766 HydrophobicContact CG1-CB 4.2Å; V586-N766 PolarHBondContact O-ND2 3.17Å; V586-N766 VanDerWaalsContact O-ND2 3.11Å; H587-N766 PolarHBondContact CD2-OD1 3.21Å; W764-N766 PolarHBondContact O-N 2.9Å; N766-C768 PolarHBondContact O-N 3.34Å; N766-C768 WeakPolarHBondContact OD1-CA 3.34Å; N766-C768 VanDerWaalsContact OD1-CB 3.32Å; N766-C768 WeakPolarHBondContact OD1-CB 3.27Å; N766-C768 PolarHBondContact OD1-N 3.31Å; N766-E769 HydrophobicContact CB-CB 4.42Å; N766-E769 PolarHBondContact O-N 2.92Å; N766-E769 PolarHBondContact OD1-N 3.26Å
767	K	87.1	Confident	90.6	Very high	58 Å²	58	50.7 Å²	50.7	25%	0.252	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.5	-178.9	-67.4	166.5	179.9	170.6	0	113.3	H587 A629 P765 P779 P799 Y800	H587-K767 PolarHBondContact NE2-N 3.24Å; A629-K767 WeakPolarHBondContact O-CE 3.49Å; A629-K767 PolarHBondContact O-NZ 3.24Å; P765-K767 PolarHBondContact O-N 2.03Å; K767-P779 HydrophobicContact CD-CB 3.9Å; K767-P799 HydrophobicContact CB-CB 4.18Å; K767-P799 HydrophobicContact CB-CG 4.09Å; K767-P799 HydrophobicContact CD-CB 4.12Å; K767-P799 HydrophobicContact CG-CB 4.07Å; K767-P799 HydrophobicContact CG-CG 4.33Å; K767-Y800 WeakPolarHBondContact O-CD1 3.45Å
768	C	90.4	Very high	90.5	Very high	14 Å²	14	50.5 Å²	50.5	10%	0.095	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	2.4	-176.5	-72.3	0	0	0	0	114.2	N766 D770 S771 C777	N766-C768 PolarHBondContact O-N 3.34Å; N766-C768 WeakPolarHBondContact OD1-CA 3.34Å; N766-C768 VanDerWaalsContact OD1-CB 3.32Å; N766-C768 WeakPolarHBondContact OD1-CB 3.27Å; N766-C768 PolarHBondContact OD1-N 3.31Å; C768-D770 PolarHBondContact O-N 3.34Å; C768-S771 WeakPolarHBondContact O-CB 3.31Å; C768-S771 PolarHBondContact O-N 2.89Å; C768-S771 PolarHBondContact O-OG 2.86Å; C768-C777 VanDerWaalsContact CA-SG 3.6Å; C768-C777 HydrophobicContact CB-CB 3.68Å; C768-C777 WeakPolarHBondContact CB-SG 3.33Å; C768-C777 WeakPolarHBondContact SG-CB 3.43Å; C768-C777 PolarHBondContact SG-O 3.09Å; C768-C777 CovalentContact SG-SG 2.03Å; C768-C777 PolarHBondContact SG-SG 2.83Å
769	E	87.2	Confident	90.2	Very high	157 Å²	157	48.8 Å²	48.8	73%	0.734	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-46.8	-175.9	-170.2	165.4	-157.9	0	0	112.3	N766 S771	N766-E769 HydrophobicContact CB-CB 4.42Å; N766-E769 PolarHBondContact O-N 2.92Å; N766-E769 PolarHBondContact OD1-N 3.26Å; E769-S771 VanDerWaalsContact C-N 3.32Å; E769-S771 PolarHBondContact O-N 2.02Å
770	D	84.3	Confident	89.3	Confident	156 Å²	156	48.4 Å²	48.4	83%	0.834	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	23.6	175.3	-65.6	-43.9	0	0	0	113.2	C768 A772	C768-D770 PolarHBondContact O-N 3.34Å; D770-A772 PolarHBondContact O-N 3.48Å
771	S	86.3	Confident	87.9	Confident	36 Å²	36	48.6 Å²	48.6	25%	0.252	26%	0.264	S	S	.	.			trans	-74	130.6	-176.6	73.8	0	0	0	0	112.2	C768 E769 C773 C777	C768-S771 WeakPolarHBondContact O-CB 3.31Å; C768-S771 PolarHBondContact O-N 2.89Å; C768-S771 PolarHBondContact O-OG 2.86Å; E769-S771 VanDerWaalsContact C-N 3.32Å; E769-S771 PolarHBondContact O-N 2.02Å; S771-C773 PolarHBondContact O-N 2.8Å; S771-C777 WeakPolarHBondContact CB-SG 3.44Å
772	A	88.2	Confident	85.8	Confident	47 Å²	47	54.1 Å²	54.1	39%	0.388	29%	0.288	S	S	.	.			trans	-90.4	29.3	170.9	0	0	0	0	0	112.6	D770 R815	D770-A772 PolarHBondContact O-N 3.48Å; A772-R815 WeakPolarHBondContact O-CB 3.26Å
773	C	91.4	Very high	83.5	Confident	21 Å²	21	55.4 Å²	55.4	14%	0.142	29%	0.293	C	S	.	.			trans	-79.5	133.4	178.6	-59.5	0	0	0	0	110	S771 C777 Y800 C802	S771-C773 PolarHBondContact O-N 2.8Å; C773-C777 HydrophobicContact CB-CB 4.06Å; C773-Y800 VanDerWaalsContact SG-CE2 3.58Å; C773-C802 WeakPolarHBondContact CA-SG 3.45Å; C773-C802 HydrophobicContact CB-CB 3.64Å; C773-C802 WeakPolarHBondContact CB-SG 3.44Å; C773-C802 WeakPolarHBondContact SG-CA 3.13Å; C773-C802 WeakPolarHBondContact SG-CB 3.05Å; C773-C802 CovalentContact SG-SG 2.03Å; C773-C802 PolarHBondContact SG-SG 3.19Å
774	E	91.9	Very high	81	Confident	94 Å²	94	51.2 Å²	51.2	44%	0.439	28%	0.276	S	S	.	.	S	Bend	trans	-69.5	-39.7	-179.3	-174.3	-174.9	142.2	0	0	112.4	R815 N816 C817	E774-R815 WeakPolarHBondContact CB-O 3.49Å; E774-R815 PolarHBondContact N-O 2.94Å; E774-N816 WeakPolarHBondContact OE2-CA 3.12Å; E774-N816 VanDerWaalsContact OE2-CB 3.26Å; E774-N816 WeakPolarHBondContact OE2-CB 3.11Å; E774-C817 PolarHBondContact OE2-N 3.36Å
775	Q	92.7	Very high	78.5	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.047	30%	0.303	C	S	.	.	S	Bend	trans	-118.1	-86.9	-172.9	-62	-170.8	-2.9	0	0	111.5	K604 F609 C817	K604-Q775 WeakPolarHBondContact CE-O 3.23Å; K604-Q775 PolarHBondContact NZ-O 2.83Å; F609-Q775 HydrophobicContact CB-CB 4.23Å; F609-Q775 HydrophobicContact CD1-CB 3.56Å; F609-Q775 HydrophobicContact CD1-CG 3.47Å; F609-Q775 VanDerWaalsContact CD1-CG 3.47Å; F609-Q775 HydrophobicContact CE1-CB 4.01Å; F609-Q775 HydrophobicContact CE1-CG 3.53Å; F609-Q775 HydrophobicContact CG-CB 3.86Å; F609-Q775 HydrophobicContact CG-CG 4.28Å; F609-Q775 HydrophobicContact CZ-CG 4.37Å; Q775-C817 VanDerWaalsContact CD-SG 3.55Å; Q775-C817 HydrophobicContact CG-CB 4.05Å
776	L	93.7	Very high	75.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.8	179.7	-65.4	173.9	0	0	0	111	L589 V602 K604 F609 R611 I778 C802 L803	L589-L776 HydrophobicContact CD2-CD2 4.05Å; V602-L776 HydrophobicContact CG1-CD1 4.14Å; K604-L776 HydrophobicContact CG-CD2 4.07Å; F609-L776 HydrophobicContact CB-CD2 3.89Å; F609-L776 HydrophobicContact CB-CG 3.95Å; F609-L776 WeakPolarHBondContact O-CD1 3.45Å; F609-L776 WeakPolarHBondContact O-CD2 2.99Å; F609-L776 WeakPolarHBondContact O-CG 3.41Å; R611-L776 HydrophobicContact CB-CD1 3.7Å; L776-I778 HydrophobicContact CB-CG1 4.45Å; L776-C802 VanDerWaalsContact O-CA 3.31Å; L776-C802 WeakPolarHBondContact O-CA 2.93Å; L776-L803 HydrophobicContact CB-CB 4.13Å; L776-L803 WeakPolarHBondContact CB-O 3.14Å; L776-L803 HydrophobicContact CD1-CB 4.27Å; L776-L803 PolarHBondContact N-O 2.97Å; L776-L803 PolarHBondContact O-N 2.7Å
777	C	95	Very high	73.4	Confident	15 Å²	15	58.8 Å²	58.8	10%	0.101	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.7	164.9	-179.3	0	0	0	0	108.3	C768 S771 C773 Y800	C768-C777 VanDerWaalsContact CA-SG 3.6Å; C768-C777 HydrophobicContact CB-CB 3.68Å; C768-C777 WeakPolarHBondContact CB-SG 3.33Å; C768-C777 WeakPolarHBondContact SG-CB 3.43Å; C768-C777 PolarHBondContact SG-O 3.09Å; C768-C777 CovalentContact SG-SG 2.03Å; C768-C777 PolarHBondContact SG-SG 2.83Å; S771-C777 WeakPolarHBondContact CB-SG 3.44Å; C773-C777 HydrophobicContact CB-CB 4.06Å; C777-Y800 VanDerWaalsContact SG-CB 3.58Å; C777-Y800 WeakPolarHBondContact SG-CD2 3.3Å; C777-Y800 VanDerWaalsContact SG-CG 3.52Å
778	I	93.7	Very high	70.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.7	-176	-57.2	-163.8	0	0	0	109.6	L589 Y591 V602 M649 D650 L776 Y800 V801 L803	L589-I778 HydrophobicContact CD1-CG1 4.17Å; Y591-I778 WeakPolarHBondContact OH-CG2 3.42Å; V602-I778 HydrophobicContact CG1-CD1 4.02Å; M649-I778 VanDerWaalsContact C-CG2 3.48Å; M649-I778 HydrophobicContact CB-CG2 3.79Å; M649-I778 WeakPolarHBondContact O-CG2 3.47Å; D650-I778 HydrophobicContact CB-CG2 4.09Å; L776-I778 HydrophobicContact CB-CG1 4.45Å; I778-Y800 CarbonylContact O-C 3.54Å; I778-Y800 WeakPolarHBondContact O-CA 3.36Å; I778-Y800 WeakPolarHBondContact O-CB 3.46Å; I778-V801 HydrophobicContact CB-CG2 4.2Å; I778-V801 PolarHBondContact N-O 2.79Å; I778-V801 PolarHBondContact O-N 2.68Å; I778-L803 HydrophobicContact CD1-CD1 3.5Å; I778-L803 VanDerWaalsContact CD1-CD1 3.5Å; I778-L803 HydrophobicContact CD1-CG 4.22Å; I778-L803 HydrophobicContact CG1-CD1 4.31Å
779	P	88.2	Confident	68.1	Low	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.4	173.3	28.9	-37.8	0	0	0	110.5	M649 K767	M649-P779 HydrophobicContact CB-CG 4.4Å; M649-P779 HydrophobicContact CE-CG 4.12Å; M649-P779 HydrophobicContact SD-CG 3.74Å; K767-P779 HydrophobicContact CD-CB 3.9Å
780	T	74.5	Confident	65.4	Low	12 Å²	12	69.4 Å²	69.4	7%	0.074	36%	0.364	C	S	.	.			trans	-126.2	147.5	-176.9	-167.9	0	0	0	0	111.9	D650 K782 P799 V801	D650-T780 PolarHBondContact OD2-OG1 3.28Å; T780-K782 HydrophobicContact CG2-CB 4.28Å; T780-K782 HydrophobicContact CG2-CD 4.11Å; T780-K782 HydrophobicContact CG2-CG 3.86Å; T780-P799 PolarHBondContact N-O 3.08Å; T780-V801 HydrophobicContact CG2-CG1 3.87Å
781	L	65	Low	63	Low	44 Å²	44	64.8 Å²	64.8	23%	0.23	34%	0.336	C	S	.	.			trans	-99.7	73.7	169.6	-161.8	99.3	0	0	0	109.1	C630 V632 N653 L783 F894	C630-L781 VanDerWaalsContact O-CD1 3.27Å; C630-L781 WeakPolarHBondContact O-CD1 3.2Å; V632-L781 HydrophobicContact CG1-CB 4.47Å; V632-L781 HydrophobicContact CG1-CD1 4.4Å; V632-L781 HydrophobicContact CG1-CD2 4.47Å; N653-L781 PolarHBondContact ND2-O 2.58Å; L781-L783 HydrophobicContact CD2-CD1 3.86Å; L781-L783 PolarHBondContact O-N 2.94Å; L781-F894 HydrophobicContact CD2-CE1 4.12Å
782	K	49.6	Very low	60.5	Low	128 Å²	128	69.5 Å²	69.5	56%	0.557	35%	0.352	S	S	*	.			trans	-84.5	101.7	179.4	-83.7	-175.5	-179.7	179.8	0	112.4	T780 V801	T780-K782 HydrophobicContact CG2-CB 4.28Å; T780-K782 HydrophobicContact CG2-CD 4.11Å; T780-K782 HydrophobicContact CG2-CG 3.86Å; K782-V801 HydrophobicContact CD-CG1 4.47Å
783	L	43	Very low	57.9	Low	54 Å²	54	73.6 Å²	73.6	28%	0.283	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-95.6	125.6	167.6	-67.3	158.4	0	0	0	109.4	L781 Y791 F894	L781-L783 HydrophobicContact CD2-CD1 3.86Å; L781-L783 PolarHBondContact O-N 2.94Å; L783-Y791 HydrophobicContact CB-CD1 3.8Å; L783-Y791 HydrophobicContact CB-CE1 4.32Å; L783-Y791 HydrophobicContact CB-CG 4.45Å; L783-F894 HydrophobicContact CD1-CD1 3.89Å; L783-F894 HydrophobicContact CD1-CE1 2.97Å; L783-F894 HydrophobicContact CD1-CE2 4.11Å; L783-F894 HydrophobicContact CD1-CZ 3.1Å; L783-F894 HydrophobicContact CG-CE1 4.45Å
784	A	35.6	Very low	55.4	Low	36 Å²	36	79.1 Å²	79.1	30%	0.298	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-103.1	128.2	178.7	0	0	0	0	0	112.6	G786 Y791 F794	A784-G786 PolarHBondContact O-N 3.11Å; A784-Y791 WeakPolarHBondContact O-CD1 3.01Å; A784-F794 HydrophobicContact CB-CD2 3.82Å; A784-F794 HydrophobicContact CB-CE2 3.6Å
785	K	33.5	Very low	52.8	Low	178 Å²	178	80.7 Å²	80.7	77%	0.774	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-58.7	116.4	174.1	-103.8	-177.4	173.1	173.9	0	110.5	Y791	K785-Y791 HydrophobicContact CB-CE1 4.19Å; K785-Y791 HydrophobicContact CG-CE1 3.8Å; K785-Y791 VanDerWaalsContact CG-OH 3.32Å; K785-Y791 WeakPolarHBondContact CG-OH 3.05Å
786	G	32.4	Very low	50.5	Low	29 Å²	29	83.9 Å²	83.9	30%	0.299	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-76.8	152.3	166.9	0	0	0	0	0	112.1	A784 F788 W790	A784-G786 PolarHBondContact O-N 3.11Å; G786-F788 PolarHBondContact O-N 2.75Å; G786-W790 WeakPolarHBondContact CA-O 3.24Å; G786-W790 PolarHBondContact N-O 3.24Å
787	T	36.9	Very low	48.7	Very low	146 Å²	146	85.8 Å²	85.8	90%	0.896	45%	0.45	S	S	*	.	S	Bend	trans	-75.4	2.5	179.9	34.5	0	0	0	0	114.8
788	F	34.6	Very low	47.5	Very low	181 Å²	181	89.4 Å²	89.4	79%	0.794	46%	0.463	S	S	*	.	S	Bend	trans	-150.9	106.8	168.5	-93.3	-94.1	0	0	0	106.7	G786 W790	G786-F788 PolarHBondContact O-N 2.75Å; F788-W790 PolarHBondContact O-N 2.71Å; F788-W790 PolarHBondContact O-NE1 3.32Å
789	D	32.4	Very low	46.8	Very low	142 Å²	142	91.6 Å²	91.6	76%	0.759	48%	0.478	S	S	*	.	S	Bend	trans	9.4	64.5	173.6	-75.1	-22.1	0	0	0	119.5	F893	D789-F893 HydrophobicContact CB-CZ 4.42Å
790	W	31.2	Very low	46.7	Very low	128 Å²	128	92.6 Å²	92.6	49%	0.485	48%	0.482	S	S	.	.			trans	-162.1	143.9	158.5	49.7	-93.8	0	0	0	110.7	G786 F788 K792	G786-W790 WeakPolarHBondContact CA-O 3.24Å; G786-W790 PolarHBondContact N-O 3.24Å; F788-W790 PolarHBondContact O-N 2.71Å; F788-W790 PolarHBondContact O-NE1 3.32Å; W790-K792 HydrophobicContact CD2-CG 4.34Å; W790-K792 HydrophobicContact CE3-CB 3.76Å; W790-K792 HydrophobicContact CE3-CD 3.74Å; W790-K792 HydrophobicContact CE3-CG 3.37Å; W790-K792 HydrophobicContact CH2-CD 3.76Å; W790-K792 HydrophobicContact CH2-CG 4.29Å; W790-K792 HydrophobicContact CZ3-CB 3.49Å; W790-K792 VanDerWaalsContact CZ3-CB 3.49Å; W790-K792 HydrophobicContact CZ3-CD 3.34Å; W790-K792 HydrophobicContact CZ3-CG 3.37Å
791	Y	33.9	Very low	47.5	Very low	60 Å²	60	92.9 Å²	92.9	24%	0.235	48%	0.484	C	S	.	.	B	Isolated β-bridge	trans	-95.8	123.3	164.7	-68.2	-96.3	0	0	0	107.7	L783 A784 K785 F893	L783-Y791 HydrophobicContact CB-CD1 3.8Å; L783-Y791 HydrophobicContact CB-CE1 4.32Å; L783-Y791 HydrophobicContact CB-CG 4.45Å; A784-Y791 WeakPolarHBondContact O-CD1 3.01Å; K785-Y791 HydrophobicContact CB-CE1 4.19Å; K785-Y791 HydrophobicContact CG-CE1 3.8Å; K785-Y791 VanDerWaalsContact CG-OH 3.32Å; K785-Y791 WeakPolarHBondContact CG-OH 3.05Å; Y791-F893 AromaticContact CD2-CD1 3.81Å; Y791-F893 HydrophobicContact CD2-CD1 3.81Å; Y791-F893 HydrophobicContact CD2-CE1 4.36Å; Y791-F893 AromaticContact CE2-CD1 3.55Å; Y791-F893 HydrophobicContact CE2-CD1 3.55Å; Y791-F893 HydrophobicContact CE2-CE1 4.03Å
792	K	33.2	Very low	48.8	Very low	135 Å²	135	91.3 Å²	91.3	59%	0.587	48%	0.476	S	S	*	.			trans	-112.4	145.3	165.6	-80.4	176.4	-171.7	173.1	0	109	W790 F794	W790-K792 HydrophobicContact CD2-CG 4.34Å; W790-K792 HydrophobicContact CE3-CB 3.76Å; W790-K792 HydrophobicContact CE3-CD 3.74Å; W790-K792 HydrophobicContact CE3-CG 3.37Å; W790-K792 HydrophobicContact CH2-CD 3.76Å; W790-K792 HydrophobicContact CH2-CG 4.29Å; W790-K792 HydrophobicContact CZ3-CB 3.49Å; W790-K792 VanDerWaalsContact CZ3-CB 3.49Å; W790-K792 HydrophobicContact CZ3-CD 3.34Å; W790-K792 HydrophobicContact CZ3-CG 3.37Å; K792-F794 PolarHBondContact O-N 2.92Å
793	Y	34.4	Very low	50.8	Low	132 Å²	132	86.9 Å²	86.9	52%	0.518	46%	0.458	S	S	.	.			trans	-54	125.7	159.8	-157.7	-94	0	0	0	108.3	P795	Y793-P795 VanDerWaalsContact O-CD 3.26Å; Y793-P795 WeakPolarHBondContact O-CD 3.35Å
794	F	37.7	Very low	53.3	Low	138 Å²	138	84.6 Å²	84.6	61%	0.605	45%	0.446	S	S	*	.			trans	-70.2	116.8	166.3	-93.2	-88.8	0	0	0	107	A784 K792 G796 A797	A784-F794 HydrophobicContact CB-CD2 3.82Å; A784-F794 HydrophobicContact CB-CE2 3.6Å; K792-F794 PolarHBondContact O-N 2.92Å; F794-G796 PolarHBondContact O-N 3.42Å; F794-A797 HydrophobicContact CB-CB 3.99Å; F794-A797 PolarHBondContact O-N 2.79Å
795	P	38.2	Very low	55.9	Low	127 Å²	127	83 Å²	83	83%	0.825	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	109	165.1	-7.8	22.4	0	0	0	106.6	Y793	Y793-P795 VanDerWaalsContact O-CD 3.26Å; Y793-P795 WeakPolarHBondContact O-CD 3.35Å
796	G	43.5	Very low	58.5	Low	77 Å²	77	77.5 Å²	77.5	79%	0.794	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.6	-4.4	-175.8	0	0	0	0	0	116.5	F794	F794-G796 PolarHBondContact O-N 3.42Å
797	A	57.3	Low	61.1	Low	40 Å²	40	78.3 Å²	78.3	33%	0.331	42%	0.421	S	S	.	.			trans	-71	131.8	168.1	0	0	0	0	0	110	F794	F794-A797 HydrophobicContact CB-CB 3.99Å; F794-A797 PolarHBondContact O-N 2.79Å
798	K	69.4	Low	63.7	Low	90 Å²	90	76.1 Å²	76.1	39%	0.391	40%	0.397	S	S	.	.			trans	-67.2	137.9	176.7	-67.4	-180	168.9	-152.4	0	109.8	Y800	K798-Y800 HydrophobicContact CB-CD1 4.14Å; K798-Y800 HydrophobicContact CB-CE1 3.99Å; K798-Y800 HydrophobicContact CD-CE1 4.12Å; K798-Y800 HydrophobicContact CD-CE2 4.29Å; K798-Y800 HydrophobicContact CG-CE1 4.28Å; K798-Y800 PolarHBondContact NZ-OH 3.28Å; K798-Y800 PolarHBondContact O-N 2.86Å
799	P	78.1	Confident	66.2	Low	47 Å²	47	70.7 Å²	70.7	31%	0.305	38%	0.379	S	S	.	.	S	Bend	trans	-75.7	11.7	179.8	32.9	-36	0	0	0	113.5	K767 T780	K767-P799 HydrophobicContact CB-CB 4.18Å; K767-P799 HydrophobicContact CB-CG 4.09Å; K767-P799 HydrophobicContact CD-CB 4.12Å; K767-P799 HydrophobicContact CG-CB 4.07Å; K767-P799 HydrophobicContact CG-CG 4.33Å; T780-P799 PolarHBondContact N-O 3.08Å
800	Y	87.2	Confident	68.8	Low	21 Å²	21	67.1 Å²	67.1	8%	0.082	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.5	-175.8	67.5	-91.7	0	0	0	111.2	K767 C773 C777 I778 K798	K767-Y800 WeakPolarHBondContact O-CD1 3.45Å; C773-Y800 VanDerWaalsContact SG-CE2 3.58Å; C777-Y800 VanDerWaalsContact SG-CB 3.58Å; C777-Y800 WeakPolarHBondContact SG-CD2 3.3Å; C777-Y800 VanDerWaalsContact SG-CG 3.52Å; I778-Y800 CarbonylContact O-C 3.54Å; I778-Y800 WeakPolarHBondContact O-CA 3.36Å; I778-Y800 WeakPolarHBondContact O-CB 3.46Å; K798-Y800 HydrophobicContact CB-CD1 4.14Å; K798-Y800 HydrophobicContact CB-CE1 3.99Å; K798-Y800 HydrophobicContact CD-CE1 4.12Å; K798-Y800 HydrophobicContact CD-CE2 4.29Å; K798-Y800 HydrophobicContact CG-CE1 4.28Å; K798-Y800 PolarHBondContact NZ-OH 3.28Å; K798-Y800 PolarHBondContact O-N 2.86Å
801	V	89.9	Confident	71.4	Confident	18 Å²	18	65.2 Å²	65.2	11%	0.109	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.6	169.1	-67.4	0	0	0	0	110.6	D650 I778 T780 K782 L803	D650-V801 HydrophobicContact CB-CG2 3.52Å; I778-V801 HydrophobicContact CB-CG2 4.2Å; I778-V801 PolarHBondContact N-O 2.79Å; I778-V801 PolarHBondContact O-N 2.68Å; T780-V801 HydrophobicContact CG2-CG1 3.87Å; K782-V801 HydrophobicContact CD-CG1 4.47Å; V801-L803 HydrophobicContact CG2-CG 4.44Å
802	C	92.5	Very high	73.7	Confident	10 Å²	10	71.5 Å²	71.5	7%	0.068	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.5	170	-54.8	0	0	0	0	109.2	C773 L776 L810 A814	C773-C802 WeakPolarHBondContact CA-SG 3.45Å; C773-C802 HydrophobicContact CB-CB 3.64Å; C773-C802 WeakPolarHBondContact CB-SG 3.44Å; C773-C802 WeakPolarHBondContact SG-CA 3.13Å; C773-C802 WeakPolarHBondContact SG-CB 3.05Å; C773-C802 CovalentContact SG-SG 2.03Å; C773-C802 PolarHBondContact SG-SG 3.19Å; L776-C802 VanDerWaalsContact O-CA 3.31Å; L776-C802 WeakPolarHBondContact O-CA 2.93Å; C802-L810 HydrophobicContact CB-CD1 4.16Å; C802-L810 WeakPolarHBondContact O-CD2 3.49Å; C802-A814 WeakPolarHBondContact CB-O 3.45Å; C802-A814 PolarHBondContact SG-O 3.04Å; C802-A814 VanDerWaalsContact SG-O 3.41Å
803	L	93.1	Very high	76.1	Confident	36 Å²	36	68.2 Å²	68.2	19%	0.188	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.6	171.3	-62.2	-172.8	0	0	0	110.2	L613 D650 L776 I778 V801	L613-L803 HydrophobicContact CD2-CD1 3.74Å; D650-L803 HydrophobicContact CB-CD1 4.47Å; L776-L803 HydrophobicContact CB-CB 4.13Å; L776-L803 WeakPolarHBondContact CB-O 3.14Å; L776-L803 HydrophobicContact CD1-CB 4.27Å; L776-L803 PolarHBondContact N-O 2.97Å; L776-L803 PolarHBondContact O-N 2.7Å; I778-L803 HydrophobicContact CD1-CD1 3.5Å; I778-L803 VanDerWaalsContact CD1-CD1 3.5Å; I778-L803 HydrophobicContact CD1-CG 4.22Å; I778-L803 HydrophobicContact CG1-CD1 4.31Å; V801-L803 HydrophobicContact CG2-CG 4.44Å
804	C	93.5	Very high	78.3	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.034	37%	0.374	C	S	.	.			trans	-107.3	147.9	173.4	-57	0	0	0	0	109.4	R611 L810 C817	R611-C804 VanDerWaalsContact CD-O 3.25Å; R611-C804 WeakPolarHBondContact CD-O 3.48Å; R611-C804 PolarHBondContact NH1-O 2.83Å; C804-L810 VanDerWaalsContact SG-CA 3.53Å; C804-L810 VanDerWaalsContact SG-CD1 3.58Å; C804-C817 WeakPolarHBondContact CA-SG 3.18Å; C804-C817 HydrophobicContact CB-CB 3.75Å; C804-C817 WeakPolarHBondContact CB-SG 3.25Å; C804-C817 WeakPolarHBondContact SG-CA 3.23Å; C804-C817 WeakPolarHBondContact SG-CB 3.4Å; C804-C817 CovalentContact SG-SG 2.03Å; C804-C817 PolarHBondContact SG-SG 3.34Å
805	G	91.7	Very high	80.7	Confident	3 Å²	3	63.1 Å²	63.1	3%	0.031	36%	0.364	C	S	.	.			trans	-62	169	173.6	0	0	0	0	0	112.7	R610 G807 Y808	R610-G805 CarbonylContact O-C 3.45Å; R610-G805 WeakPolarHBondContact O-CA 3.5Å; G805-G807 PolarHBondContact O-N 2.84Å; G805-Y808 PolarHBondContact O-N 2.71Å; G805-Y808 VanDerWaalsContact O-N 3.16Å
806	D	88.6	Confident	83.1	Confident	62 Å²	62	60.5 Å²	60.5	33%	0.332	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135.8	177.5	-65.3	-28.7	0	0	0	110.4	R610 R611 T612	R610-D806 IonicContact NE-OD2 3.84Å; R610-D806 PolarHBondContact O-N 3.13Å; R611-D806 VanDerWaalsContact CD-OD1 3.26Å; R611-D806 WeakPolarHBondContact CD-OD1 3.25Å; T612-D806 PolarHBondContact N-OD1 2.91Å; T612-D806 PolarHBondContact N-OD2 2.78Å; T612-D806 PolarHBondContact OG1-OD2 2.76Å; T612-D806 VanDerWaalsContact OG1-OD2 3.13Å
807	G	86.5	Confident	85.3	Confident	46 Å²	46	57.4 Å²	57.4	47%	0.474	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-0.4	-174.9	0	0	0	0	0	116	G805 V820	G805-G807 PolarHBondContact O-N 2.84Å; G807-V820 VanDerWaalsContact O-CG2 3.29Å; G807-V820 WeakPolarHBondContact O-CG2 2.91Å; G807-V820 PolarHBondContact O-N 3.31Å; G807-V820 VanDerWaalsContact O-N 3.1Å
808	Y	90.5	Very high	86.7	Confident	100 Å²	100	58 Å²	58	39%	0.392	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.1	174	-64.9	-98.6	0	0	0	111.4	G805 C817 T818	G805-Y808 PolarHBondContact O-N 2.71Å; G805-Y808 VanDerWaalsContact O-N 3.16Å; Y808-C817 HydrophobicContact CD1-CB 4.26Å; Y808-T818 CarbonylContact C-O 3.5Å; Y808-T818 WeakPolarHBondContact CA-O 3.41Å
809	V	88.2	Confident	87.3	Confident	68 Å²	68	55 Å²	55	41%	0.412	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.3	176.2	178.1	0	0	0	0	108.7	H811 C817 T818 V820	V809-H811 PolarHBondContact O-N 3.13Å; V809-C817 WeakPolarHBondContact O-CA 3.4Å; V809-T818 PolarHBondContact N-O 3.19Å; V809-T818 PolarHBondContact O-N 2.79Å; V809-T818 PolarHBondContact O-OG1 3.42Å; V809-V820 HydrophobicContact CG2-CG2 3.65Å
810	L	86.6	Confident	87	Confident	66 Å²	66	56.2 Å²	56.2	35%	0.346	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	123.3	175.7	-168	72.2	0	0	0	109.3	C802 C804 A814	C802-L810 HydrophobicContact CB-CD1 4.16Å; C802-L810 WeakPolarHBondContact O-CD2 3.49Å; C804-L810 VanDerWaalsContact SG-CA 3.53Å; C804-L810 VanDerWaalsContact SG-CD1 3.58Å; L810-A814 HydrophobicContact CD2-CB 4.31Å
811	H	85.5	Confident	85.8	Confident	88 Å²	88	63.8 Å²	63.8	41%	0.407	34%	0.341	S	S	.	.			trans	-62.9	159	176.3	-171.5	-89.6	0	0	0	110.7	V809 N813 A814 N816	V809-H811 PolarHBondContact O-N 3.13Å; H811-N813 PolarHBondContact ND1-N 3.44Å; H811-N813 PolarHBondContact O-N 2.85Å; H811-A814 PolarHBondContact O-N 2.83Å; H811-N816 HydrophobicContact CB-CB 4.08Å; H811-N816 WeakPolarHBondContact CB-O 3.16Å; H811-N816 PolarHBondContact N-O 2.81Å
812	E	82	Confident	84	Confident	193 Å²	193	69.9 Å²	69.9	90%	0.902	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.3	178.7	-62.7	-175.4	168.5	0	0	114	A814	E812-A814 PolarHBondContact O-N 3.01Å
813	N	83.6	Confident	81.6	Confident	65 Å²	65	74.3 Å²	74.3	35%	0.348	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.7	176	75.5	-6.6	0	0	0	113.2	H811 R815 N816	H811-N813 PolarHBondContact ND1-N 3.44Å; H811-N813 PolarHBondContact O-N 2.85Å; N813-R815 WeakPolarHBondContact O-CG 3.45Å; N813-R815 PolarHBondContact O-N 3.45Å; N813-R815 PolarHBondContact OD1-N 3.16Å; N813-N816 PolarHBondContact ND2-OD1 3.44Å; N813-N816 PolarHBondContact OD1-N 3.37Å
814	A	81.5	Confident	78.9	Confident	57 Å²	57	77.8 Å²	77.8	47%	0.471	42%	0.42	S	S	.	.	S	Bend	trans	55.7	30.2	-178.5	0	0	0	0	0	114.4	C802 L810 H811 E812	C802-A814 WeakPolarHBondContact CB-O 3.45Å; C802-A814 PolarHBondContact SG-O 3.04Å; C802-A814 VanDerWaalsContact SG-O 3.41Å; L810-A814 HydrophobicContact CD2-CB 4.31Å; H811-A814 PolarHBondContact O-N 2.83Å; E812-A814 PolarHBondContact O-N 3.01Å
815	R	86.6	Confident	75.9	Confident	106 Å²	106	85.4 Å²	85.4	40%	0.4	46%	0.46	S	S	.	.	S	Bend	trans	-139.6	-43.3	-175.9	-68.6	177.1	-162.2	-164.1	3.8	113.2	A772 E774 N813	A772-R815 WeakPolarHBondContact O-CB 3.26Å; E774-R815 WeakPolarHBondContact CB-O 3.49Å; E774-R815 PolarHBondContact N-O 2.94Å; N813-R815 WeakPolarHBondContact O-CG 3.45Å; N813-R815 PolarHBondContact O-N 3.45Å; N813-R815 PolarHBondContact OD1-N 3.16Å
816	N	88.9	Confident	72.9	Confident	73 Å²	73	90.5 Å²	90.5	39%	0.39	50%	0.495	S	S	.	.			trans	-94.8	157.1	-174.1	-66.2	34.6	0	0	0	111.1	E774 H811 N813	E774-N816 WeakPolarHBondContact OE2-CA 3.12Å; E774-N816 VanDerWaalsContact OE2-CB 3.26Å; E774-N816 WeakPolarHBondContact OE2-CB 3.11Å; H811-N816 HydrophobicContact CB-CB 4.08Å; H811-N816 WeakPolarHBondContact CB-O 3.16Å; H811-N816 PolarHBondContact N-O 2.81Å; N813-N816 PolarHBondContact ND2-OD1 3.44Å; N813-N816 PolarHBondContact OD1-N 3.37Å
817	C	89.8	Confident	70.2	Confident	11 Å²	11	93 Å²	93	7%	0.074	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.2	-175.9	-65.1	0	0	0	0	110.3	E774 Q775 C804 Y808 V809	E774-C817 PolarHBondContact OE2-N 3.36Å; Q775-C817 VanDerWaalsContact CD-SG 3.55Å; Q775-C817 HydrophobicContact CG-CB 4.05Å; C804-C817 WeakPolarHBondContact CA-SG 3.18Å; C804-C817 HydrophobicContact CB-CB 3.75Å; C804-C817 WeakPolarHBondContact CB-SG 3.25Å; C804-C817 WeakPolarHBondContact SG-CA 3.23Å; C804-C817 WeakPolarHBondContact SG-CB 3.4Å; C804-C817 CovalentContact SG-SG 2.03Å; C804-C817 PolarHBondContact SG-SG 3.34Å; Y808-C817 HydrophobicContact CD1-CB 4.26Å; V809-C817 WeakPolarHBondContact O-CA 3.4Å
818	T	87.3	Confident	67.5	Low	52 Å²	52	95.6 Å²	95.6	32%	0.319	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.9	175.7	51.7	0	0	0	0	110.1	Y808 V809 V820	Y808-T818 CarbonylContact C-O 3.5Å; Y808-T818 WeakPolarHBondContact CA-O 3.41Å; V809-T818 PolarHBondContact N-O 3.19Å; V809-T818 PolarHBondContact O-N 2.79Å; V809-T818 PolarHBondContact O-OG1 3.42Å; T818-V820 PolarHBondContact O-N 3.34Å
819	S	81.6	Confident	64.8	Low	27 Å²	27	99.8 Å²	99.8	19%	0.189	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.8	135.5	175	-178.5	0	0	0	0	109.9	H821 L822	S819-H821 PolarHBondContact O-N 3Å; S819-H821 VanDerWaalsContact O-N 3.14Å; S819-H821 PolarHBondContact OG-N 2.87Å; S819-L822 PolarHBondContact O-N 2.83Å
820	V	72.9	Confident	62.2	Low	74 Å²	74	102.3 Å²	102.3	45%	0.448	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-59	-26.3	177.1	178	0	0	0	0	111.6	G807 V809 T818 L822	G807-V820 VanDerWaalsContact O-CG2 3.29Å; G807-V820 WeakPolarHBondContact O-CG2 2.91Å; G807-V820 PolarHBondContact O-N 3.31Å; G807-V820 VanDerWaalsContact O-N 3.1Å; V809-V820 HydrophobicContact CG2-CG2 3.65Å; T818-V820 PolarHBondContact O-N 3.34Å; V820-L822 PolarHBondContact O-N 3.07Å
821	H	61.4	Low	59.7	Low	179 Å²	179	104.5 Å²	104.5	83%	0.829	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-72.2	-8.7	178	-73.7	-69.7	0	0	0	114.9	S819	S819-H821 PolarHBondContact O-N 3Å; S819-H821 VanDerWaalsContact O-N 3.14Å; S819-H821 PolarHBondContact OG-N 2.87Å
822	L	51.2	Low	57.4	Low	146 Å²	146	105.7 Å²	105.7	76%	0.764	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-108.6	4	-178	-69.3	168.6	0	0	0	113.9	S819 V820	S819-L822 PolarHBondContact O-N 2.83Å; V820-L822 PolarHBondContact O-N 3.07Å
823	L	43.1	Very low	55	Low	103 Å²	103	101 Å²	101	54%	0.539	61%	0.605	S	S	.	*	S	Bend	trans	-73.8	125.9	174	-69.3	170.7	0	0	0	109.8	N825	L823-N825 PolarHBondContact O-N 2.67Å
824	P	36	Very low	52.6	Low	110 Å²	110	104.1 Å²	104.1	71%	0.714	63%	0.626	S	S	*	*			trans	-62.9	131.6	176	-9.6	22.8	0	0	0	108.8	S826	P824-S826 VanDerWaalsContact C-N 3.26Å; P824-S826 PolarHBondContact O-N 3.45Å
825	N	29.6	Very low	50.2	Low	165 Å²	165	108.5 Å²	108.5	88%	0.882	64%	0.641	S	S	*	*			trans	-64.3	83.8	176.1	-137.3	2.4	0	0	0	109.6	L823	L823-N825 PolarHBondContact O-N 2.67Å
826	S	30.1	Very low	47.5	Very low	110 Å²	110	107.6 Å²	107.6	77%	0.769	65%	0.651	S	S	*	*			trans	-101.6	71.8	177.7	67.6	0	0	0	0	110.9	P824	P824-S826 VanDerWaalsContact C-N 3.26Å; P824-S826 PolarHBondContact O-N 3.45Å
827	S	31.1	Very low	44.9	Very low	113 Å²	113	110.8 Å²	110.8	79%	0.79	67%	0.673	S	S	*	*			trans	-166.7	66	145.8	60.2	0	0	0	0	110.6	H829	S827-H829 PolarHBondContact O-N 3.27Å
828	S	29.5	Very low	42.2	Very low	102 Å²	102	113.9 Å²	113.9	71%	0.713	71%	0.707	S	S	*	*			trans	-81.6	99.9	153.3	57.1	0	0	0	0	108.1
829	H	33.7	Very low	39.5	Very low	188 Å²	188	115.6 Å²	115.6	87%	0.87	73%	0.726	S	S	*	*			trans	-153.2	125.4	148.8	-101.2	-69.3	0	0	0	111.9	S827	S827-H829 PolarHBondContact O-N 3.27Å
830	S	35	Very low	37	Very low	120 Å²	120	122 Å²	122	84%	0.839	76%	0.758	S	S	*	*			trans	99	107.5	157.1	75.3	0	0	0	0	117.7
831	S	33.4	Very low	35.1	Very low	112 Å²	112	124.4 Å²	124.4	78%	0.783	77%	0.773	S	S	*	*			trans	-76.7	158.5	-179.2	-44.4	0	0	0	0	113.6
832	S	36.4	Very low	33.6	Very low	114 Å²	114	122.1 Å²	122.1	80%	0.797	77%	0.771	S	S	*	*			trans	114.6	105.4	133.6	-56.6	0	0	0	0	116.9
833	A	31.7	Very low	33	Very low	93 Å²	93	120.4 Å²	120.4	77%	0.769	77%	0.769	S	S	*	*			trans	50.4	131.4	131.4	0	0	0	0	0	118.3
834	V	34.3	Very low	32.5	Very low	131 Å²	131	120.7 Å²	120.7	79%	0.794	78%	0.779	S	S	*	*				-168	144.8	65.4	164.4	0	0	0	0	110.8
835	L	30.5	Very low	32.3	Very low	149 Å²	149	119.7 Å²	119.7	78%	0.78	78%	0.781	S	S	*	*			trans	-5.9	132.3	164	-83.4	76.1	0	0	0	123.4
836	S	31	Very low	32.5	Very low	87 Å²	87	117.1 Å²	117.1	61%	0.608	78%	0.775	S	S	*	*				9.2	135.6	128.1	63.8	0	0	0	0	121.3
837	T	33.1	Very low	32.5	Very low	141 Å²	141	119.1 Å²	119.1	87%	0.865	78%	0.777	S	S	*	*				167.4	143.5	105.7	38	0	0	0	0	113.1
838	G	33	Very low	32.5	Very low	75 Å²	75	119 Å²	119	77%	0.773	77%	0.771	S	S	*	*			trans	83.7	105	151.7	0	0	0	0	0	117
839	A	31.3	Very low	32.6	Very low	89 Å²	89	121.5 Å²	121.5	74%	0.736	77%	0.771	S	S	*	*				86.1	122.5	63.3	0	0	0	0	0	114.7
840	L	28.6	Very low	32.6	Very low	161 Å²	161	119.3 Å²	119.3	84%	0.843	77%	0.766	S	S	*	*			trans	67.8	137.8	160.9	-78.1	88.4	0	0	0	116.4
841	T	32.6	Very low	32.6	Very low	125 Å²	125	118.2 Å²	118.2	77%	0.767	76%	0.764	S	S	*	*			cis	-167	148.2	21.1	30.7	0	0	0	0	109.4
842	T	30.8	Very low	32.6	Very low	131 Å²	131	117.8 Å²	117.8	80%	0.804	77%	0.768	S	S	*	*			trans	-74.7	-175.4	163.5	46.5	0	0	0	0	112.3
843	P	38.6	Very low	32.5	Very low	110 Å²	110	117.3 Å²	117.3	71%	0.714	76%	0.764	S	S	*	*			cis	-133.9	-174.6	-33.3	26.7	-4.1	0	0	0	113
844	S	31.4	Very low	32.8	Very low	108 Å²	108	122.4 Å²	122.4	76%	0.755	77%	0.772	S	S	*	*			trans	124	112	138.5	-47.1	0	0	0	0	118
845	A	33.2	Very low	32.9	Very low	90 Å²	90	120.1 Å²	120.1	74%	0.744	78%	0.775	S	S	*	*			trans	46.7	122.1	130	0	0	0	0	0	122.6
846	S	32.7	Very low	33	Very low	110 Å²	110	116.8 Å²	116.8	77%	0.769	78%	0.777	S	S	*	*				97.9	135.7	125.1	76.4	0	0	0	0	121.6
847	L	29.9	Very low	33.6	Very low	153 Å²	153	117.4 Å²	117.4	80%	0.801	78%	0.781	S	S	*	*			trans	87.9	102	144.3	-107.3	72.9	0	0	0	121.4
848	V	31.2	Very low	34.4	Very low	109 Å²	109	115.7 Å²	115.7	66%	0.661	78%	0.775	S	S	*	*				71.8	111.4	112.8	172.6	0	0	0	0	120.5
849	Q	32.3	Very low	35.2	Very low	156 Å²	156	115 Å²	115	73%	0.729	76%	0.762	S	S	*	*			trans	66.1	123.3	130.8	-70.4	176.5	-29.5	0	0	123.6
850	N	34	Very low	35.9	Very low	142 Å²	142	112.9 Å²	112.9	76%	0.759	75%	0.748	S	S	*	*				79.8	118.3	127.1	-63.8	-9.7	0	0	0	121.4
851	A	34.3	Very low	37	Very low	97 Å²	97	111.5 Å²	111.5	80%	0.802	74%	0.741	S	S	*	*				-179.3	110.3	124.5	0	0	0	0	0	107.8
852	A	33.7	Very low	38.4	Very low	103 Å²	103	109.7 Å²	109.7	85%	0.851	73%	0.73	S	S	*	*				74.5	110.4	80.5	0	0	0	0	0	115.1
853	S	34.9	Very low	40.1	Very low	104 Å²	104	107.2 Å²	107.2	73%	0.727	71%	0.714	S	S	*	*			trans	-171.5	110.6	136.3	68.8	0	0	0	0	109.4
854	E	37	Very low	41.5	Very low	199 Å²	199	105 Å²	105	93%	0.93	70%	0.702	S	S	*	*				82.4	123.3	106.7	-71	-168.4	165.8	0	0	115.2
855	G	36.2	Very low	43.7	Very low	83 Å²	83	105 Å²	105	86%	0.856	69%	0.693	S	S	*	*			trans	147.2	72.3	170.3	0	0	0	0	0	113.5
856	G	32.7	Very low	45.9	Very low	79 Å²	79	105.6 Å²	105.6	81%	0.814	68%	0.683	S	S	*	*			trans	-69.4	147.9	173.9	0	0	0	0	0	112.7
857	S	45	Very low	48.1	Very low	100 Å²	100	105 Å²	105	70%	0.699	67%	0.67	S	S	*	*			trans	-175.2	116.8	139.4	-147.4	0	0	0	0	108.2	A859	S857-A859 PolarHBondContact O-N 2.59Å
858	S	49	Very low	50.7	Low	106 Å²	106	103.2 Å²	103.2	74%	0.741	66%	0.661	S	S	*	*	S	Bend	trans	36	-6.1	148.8	47.9	0	0	0	0	123.7
859	A	49.1	Very low	53.2	Low	60 Å²	60	102.8 Å²	102.8	50%	0.496	65%	0.654	S	S	.	*	S	Bend	trans	-86.8	-22.1	172.9	0	0	0	0	0	112.5	S857 L861 V862 V863	S857-A859 PolarHBondContact O-N 2.59Å; A859-L861 VanDerWaalsContact C-N 3.33Å; A859-L861 PolarHBondContact O-N 2.87Å; A859-V862 PolarHBondContact O-N 2.89Å; A859-V863 VanDerWaalsContact O-CG2 3.32Å; A859-V863 WeakPolarHBondContact O-CG2 3.16Å; A859-V863 PolarHBondContact O-N 3.27Å
860	G	47.3	Very low	55.7	Low	44 Å²	44	100.4 Å²	100.4	45%	0.454	65%	0.646	S	S	.	*	H	α-helix	trans	-64.9	-31.5	-176.5	0	0	0	0	0	114.3	S864	G860-S864 WeakPolarHBondContact O-CB 3.35Å; G860-S864 PolarHBondContact O-N 2.81Å; G860-S864 PolarHBondContact O-OG 2.03Å
861	L	52	Low	58.2	Low	133 Å²	133	98.4 Å²	98.4	70%	0.696	64%	0.635	S	S	*	*	H	α-helix	trans	-71.9	-38.2	174.1	-82.8	168	0	0	0	111.7	A859 L865	A859-L861 VanDerWaalsContact C-N 3.33Å; A859-L861 PolarHBondContact O-N 2.87Å; L861-L865 VanDerWaalsContact O-CB 3.25Å; L861-L865 WeakPolarHBondContact O-CB 3.28Å; L861-L865 WeakPolarHBondContact O-CD1 3.18Å; L861-L865 PolarHBondContact O-N 2.86Å
862	V	61.3	Low	60.7	Low	86 Å²	86	96.2 Å²	96.2	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-71.3	-40.5	177.8	-176.8	0	0	0	0	110.7	A859 L865 L866	A859-V862 PolarHBondContact O-N 2.89Å; V862-L865 PolarHBondContact O-N 3.41Å; V862-L866 HydrophobicContact CG1-CD1 3.88Å; V862-L866 HydrophobicContact CG1-CG 4.47Å; V862-L866 VanDerWaalsContact O-CB 3.28Å; V862-L866 WeakPolarHBondContact O-CB 2.97Å; V862-L866 WeakPolarHBondContact O-CD1 3.41Å; V862-L866 WeakPolarHBondContact O-CG 3.12Å; V862-L866 PolarHBondContact O-N 3.46Å
863	V	67.4	Low	63.1	Low	79 Å²	79	96.3 Å²	96.3	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-69	-38.5	176.2	174.9	0	0	0	0	111.2	A859 L866 L867	A859-V863 VanDerWaalsContact O-CG2 3.32Å; A859-V863 WeakPolarHBondContact O-CG2 3.16Å; A859-V863 PolarHBondContact O-N 3.27Å; V863-L866 PolarHBondContact O-N 3.08Å; V863-L867 HydrophobicContact CG1-CD1 3.88Å; V863-L867 VanDerWaalsContact O-CB 3.3Å; V863-L867 WeakPolarHBondContact O-CB 3.24Å; V863-L867 PolarHBondContact O-N 3.44Å
864	S	67.7	Low	65.2	Low	64 Å²	64	95 Å²	95	45%	0.448	59%	0.59	S	S	.	*	H	α-helix	trans	-69.5	-37.8	174.7	-59.1	0	0	0	0	112.3	G860 L868	G860-S864 WeakPolarHBondContact O-CB 3.35Å; G860-S864 PolarHBondContact O-N 2.81Å; G860-S864 PolarHBondContact O-OG 2.03Å; S864-L868 VanDerWaalsContact O-CB 3.3Å; S864-L868 WeakPolarHBondContact O-CB 3.33Å; S864-L868 WeakPolarHBondContact O-CD1 3.46Å; S864-L868 WeakPolarHBondContact O-CG 3.46Å; S864-L868 PolarHBondContact O-N 3.32Å
865	L	77.7	Confident	67.4	Low	108 Å²	108	90.2 Å²	90.2	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-40.7	172.5	-93.5	151.6	0	0	0	111.8	L861 V862 L868 L869	L861-L865 VanDerWaalsContact O-CB 3.25Å; L861-L865 WeakPolarHBondContact O-CB 3.28Å; L861-L865 WeakPolarHBondContact O-CD1 3.18Å; L861-L865 PolarHBondContact O-N 2.86Å; V862-L865 PolarHBondContact O-N 3.41Å; L865-L868 PolarHBondContact O-N 3.44Å; L865-L869 WeakPolarHBondContact O-CB 3.33Å; L865-L869 PolarHBondContact O-N 3.31Å
866	L	77.8	Confident	69.4	Low	102 Å²	102	90.8 Å²	90.8	53%	0.534	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-38	175.5	-77	165.5	0	0	0	112.2	V862 V863 L869 L870	V862-L866 HydrophobicContact CG1-CD1 3.88Å; V862-L866 HydrophobicContact CG1-CG 4.47Å; V862-L866 VanDerWaalsContact O-CB 3.28Å; V862-L866 WeakPolarHBondContact O-CB 2.97Å; V862-L866 WeakPolarHBondContact O-CD1 3.41Å; V862-L866 WeakPolarHBondContact O-CG 3.12Å; V862-L866 PolarHBondContact O-N 3.46Å; V863-L866 PolarHBondContact O-N 3.08Å; L866-L869 PolarHBondContact O-N 3.17Å; L866-L870 WeakPolarHBondContact O-CB 3.43Å; L866-L870 PolarHBondContact O-N 3.24Å
867	L	79.2	Confident	71.3	Confident	98 Å²	98	89.8 Å²	89.8	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-67.9	-39.4	173.3	-93.2	152.3	0	0	0	112.1	V863 L870 L871	V863-L867 HydrophobicContact CG1-CD1 3.88Å; V863-L867 VanDerWaalsContact O-CB 3.3Å; V863-L867 WeakPolarHBondContact O-CB 3.24Å; V863-L867 PolarHBondContact O-N 3.44Å; L867-L870 PolarHBondContact O-N 3.12Å; L867-L871 WeakPolarHBondContact O-CB 3.49Å; L867-L871 PolarHBondContact O-N 3.5Å
868	L	84.1	Confident	72.6	Confident	115 Å²	115	91.2 Å²	91.2	60%	0.602	53%	0.531	S	S	*	.	H	α-helix	trans	-67.1	-37.4	173.1	-84.1	160.6	0	0	0	111.9	S864 L865 L871 A872	S864-L868 VanDerWaalsContact O-CB 3.3Å; S864-L868 WeakPolarHBondContact O-CB 3.33Å; S864-L868 WeakPolarHBondContact O-CD1 3.46Å; S864-L868 WeakPolarHBondContact O-CG 3.46Å; S864-L868 PolarHBondContact O-N 3.32Å; L865-L868 PolarHBondContact O-N 3.44Å; L868-L871 PolarHBondContact O-N 2.03Å; L868-A872 VanDerWaalsContact O-CB 3.23Å; L868-A872 WeakPolarHBondContact O-CB 3.47Å; L868-A872 PolarHBondContact O-N 3.44Å
869	L	84.5	Confident	73.8	Confident	100 Å²	100	89.2 Å²	89.2	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-68	-39	173.1	-115	136.9	0	0	0	111.8	L865 L866 A872 L873	L865-L869 WeakPolarHBondContact O-CB 3.33Å; L865-L869 PolarHBondContact O-N 3.31Å; L866-L869 PolarHBondContact O-N 3.17Å; L869-A872 PolarHBondContact O-N 3.23Å; L869-L873 HydrophobicContact CD2-CD1 4.25Å; L869-L873 VanDerWaalsContact O-CB 3.24Å; L869-L873 WeakPolarHBondContact O-CB 2.9Å; L869-L873 WeakPolarHBondContact O-CG 3.27Å; L869-L873 PolarHBondContact O-N 2.03Å
870	L	84.4	Confident	74.6	Confident	106 Å²	106	93.8 Å²	93.8	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-67.2	-40.3	173.1	-92.1	155	0	0	0	112	L866 L867 L873 T874	L866-L870 WeakPolarHBondContact O-CB 3.43Å; L866-L870 PolarHBondContact O-N 3.24Å; L867-L870 PolarHBondContact O-N 3.12Å; L870-L873 PolarHBondContact O-N 2.88Å; L870-T874 WeakPolarHBondContact O-CB 3.09Å; L870-T874 VanDerWaalsContact O-CG2 3.23Å; L870-T874 WeakPolarHBondContact O-CG2 3.12Å; L870-T874 PolarHBondContact O-N 3Å; L870-T874 PolarHBondContact O-OG1 2.75Å
871	L	86	Confident	74.9	Confident	101 Å²	101	100.4 Å²	100.4	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-40.3	173.1	-92.2	160	0	0	0	111.7	L867 L868 T874 L875	L867-L871 WeakPolarHBondContact O-CB 3.49Å; L867-L871 PolarHBondContact O-N 3.5Å; L868-L871 PolarHBondContact O-N 2.03Å; L871-T874 VanDerWaalsContact CA-OG1 3.29Å; L871-T874 WeakPolarHBondContact CA-OG1 3.19Å; L871-T874 PolarHBondContact O-OG1 3.3Å; L871-L875 VanDerWaalsContact O-CB 3.28Å; L871-L875 WeakPolarHBondContact O-CB 3.37Å; L871-L875 PolarHBondContact O-N 3.49Å
872	A	87	Confident	75.1	Confident	50 Å²	50	100.6 Å²	100.6	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-68	-40.3	174.9	0	0	0	0	0	111.8	L868 L869 L875 V876	L868-A872 VanDerWaalsContact O-CB 3.23Å; L868-A872 WeakPolarHBondContact O-CB 3.47Å; L868-A872 PolarHBondContact O-N 3.44Å; L869-A872 PolarHBondContact O-N 3.23Å; A872-L875 PolarHBondContact O-N 3.28Å; A872-V876 WeakPolarHBondContact O-CB 3.03Å; A872-V876 WeakPolarHBondContact O-CG2 3.24Å; A872-V876 PolarHBondContact O-N 3.01Å
873	L	85.5	Confident	74.6	Confident	106 Å²	106	106.6 Å²	106.6	56%	0.555	54%	0.54	S	S	*	.	H	α-helix	trans	-69.3	-36.1	176	-75.9	168.9	0	0	0	112	L869 L870 A877	L869-L873 HydrophobicContact CD2-CD1 4.25Å; L869-L873 VanDerWaalsContact O-CB 3.24Å; L869-L873 WeakPolarHBondContact O-CB 2.9Å; L869-L873 WeakPolarHBondContact O-CG 3.27Å; L869-L873 PolarHBondContact O-N 2.03Å; L870-L873 PolarHBondContact O-N 2.88Å; L873-A877 WeakPolarHBondContact O-CB 3.01Å; L873-A877 PolarHBondContact O-N 2.98Å
874	T	79	Confident	73.2	Confident	76 Å²	76	106 Å²	106	47%	0.466	53%	0.534	S	S	.	.	H	α-helix	trans	-73.1	-33.9	173.6	51.3	0	0	0	0	111.9	L870 L871 W878	L870-T874 WeakPolarHBondContact O-CB 3.09Å; L870-T874 VanDerWaalsContact O-CG2 3.23Å; L870-T874 WeakPolarHBondContact O-CG2 3.12Å; L870-T874 PolarHBondContact O-N 3Å; L870-T874 PolarHBondContact O-OG1 2.75Å; L871-T874 VanDerWaalsContact CA-OG1 3.29Å; L871-T874 WeakPolarHBondContact CA-OG1 3.19Å; L871-T874 PolarHBondContact O-OG1 3.3Å; T874-W878 WeakPolarHBondContact O-CB 3.43Å; T874-W878 PolarHBondContact O-N 3.48Å
875	L	81.6	Confident	71.7	Confident	99 Å²	99	105.8 Å²	105.8	52%	0.518	53%	0.533	S	S	.	.	H	α-helix	trans	-69.2	-40.4	170.1	-97.4	159.8	0	0	0	112.4	L871 A872 W878 V879	L871-L875 VanDerWaalsContact O-CB 3.28Å; L871-L875 WeakPolarHBondContact O-CB 3.37Å; L871-L875 PolarHBondContact O-N 3.49Å; A872-L875 PolarHBondContact O-N 3.28Å; L875-W878 HydrophobicContact CD2-CE3 4.41Å; L875-W878 PolarHBondContact O-N 3.01Å; L875-V879 VanDerWaalsContact O-CB 3.3Å; L875-V879 WeakPolarHBondContact O-CB 3.26Å; L875-V879 WeakPolarHBondContact O-CG2 3.27Å; L875-V879 PolarHBondContact O-N 2.03Å
876	V	79.3	Confident	69.5	Low	95 Å²	95	107.3 Å²	107.3	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-69.4	-39.5	174.6	171	0	0	0	0	110	A872 W878 V879 Y880	A872-V876 WeakPolarHBondContact O-CB 3.03Å; A872-V876 WeakPolarHBondContact O-CG2 3.24Å; A872-V876 PolarHBondContact O-N 3.01Å; V876-W878 VanDerWaalsContact C-N 3.34Å; V876-V879 PolarHBondContact O-N 2.71Å; V876-Y880 WeakPolarHBondContact O-CA 3.04Å; V876-Y880 WeakPolarHBondContact O-CB 3.06Å; V876-Y880 PolarHBondContact O-N 3.29Å
877	A	72	Confident	67.2	Low	58 Å²	58	109.1 Å²	109.1	48%	0.479	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-35.5	172.2	0	0	0	0	0	111.5	L873 W881	L873-A877 WeakPolarHBondContact O-CB 3.01Å; L873-A877 PolarHBondContact O-N 2.98Å; A877-W881 WeakPolarHBondContact O-CA 3.28Å; A877-W881 WeakPolarHBondContact O-CB 3.03Å; A877-W881 PolarHBondContact O-N 3.47Å
878	W	73.2	Confident	64.7	Low	130 Å²	130	110.1 Å²	110.1	49%	0.492	55%	0.55	S	S	.	.	H	α-helix	trans	-73.7	-39.6	175	-177.1	82.8	0	0	0	111.9	T874 L875 V876 W881 K882	T874-W878 WeakPolarHBondContact O-CB 3.43Å; T874-W878 PolarHBondContact O-N 3.48Å; L875-W878 HydrophobicContact CD2-CE3 4.41Å; L875-W878 PolarHBondContact O-N 3.01Å; V876-W878 VanDerWaalsContact C-N 3.34Å; W878-W881 CarbonylContact O-C 3.4Å; W878-W881 PolarHBondContact O-N 2.93Å; W878-K882 HydrophobicContact CE3-CD 4.43Å; W878-K882 HydrophobicContact CH2-CD 3.64Å; W878-K882 HydrophobicContact CZ2-CD 3.7Å; W878-K882 HydrophobicContact CZ3-CD 4.01Å; W878-K882 WeakPolarHBondContact O-CA 3.03Å; W878-K882 WeakPolarHBondContact O-CB 3.33Å; W878-K882 PolarHBondContact O-N 2.86Å
879	V	73.3	Confident	62.3	Low	64 Å²	64	109 Å²	109	39%	0.388	54%	0.541	S	S	.	.	H	α-helix	trans	-70	-38.6	174	171.2	0	0	0	0	110.2	L875 V876 K882 R883	L875-V879 VanDerWaalsContact O-CB 3.3Å; L875-V879 WeakPolarHBondContact O-CB 3.26Å; L875-V879 WeakPolarHBondContact O-CG2 3.27Å; L875-V879 PolarHBondContact O-N 2.03Å; V876-V879 PolarHBondContact O-N 2.71Å; V879-K882 PolarHBondContact O-N 2.78Å; V879-R883 WeakPolarHBondContact O-CA 3.44Å; V879-R883 WeakPolarHBondContact O-CB 3.36Å; V879-R883 PolarHBondContact O-N 2.81Å
880	Y	65.7	Low	59.8	Low	156 Å²	156	110.6 Å²	110.6	61%	0.612	54%	0.544	S	S	*	.	H	α-helix	trans	-69.5	-35.4	171.6	-162.7	-91.8	0	0	0	110.3	V876 K882 N884 S885	V876-Y880 WeakPolarHBondContact O-CA 3.04Å; V876-Y880 WeakPolarHBondContact O-CB 3.06Å; V876-Y880 PolarHBondContact O-N 3.29Å; Y880-K882 VanDerWaalsContact C-N 3.33Å; Y880-N884 HydrophobicContact CD1-CB 3.83Å; Y880-N884 HydrophobicContact CD2-CB 4.41Å; Y880-N884 HydrophobicContact CE1-CB 3.88Å; Y880-N884 VanDerWaalsContact CE1-ND2 3.35Å; Y880-N884 WeakPolarHBondContact CE1-ND2 3.01Å; Y880-N884 HydrophobicContact CE2-CB 4.46Å; Y880-N884 HydrophobicContact CG-CB 4.11Å; Y880-N884 CarbonylContact O-C 3.56Å; Y880-N884 VanDerWaalsContact O-C 3.24Å; Y880-N884 WeakPolarHBondContact O-CA 3.45Å; Y880-N884 WeakPolarHBondContact O-CB 3.35Å; Y880-N884 PolarHBondContact O-N 3.48Å; Y880-N884 PolarHBondContact OH-ND2 3.4Å; Y880-N884 VanDerWaalsContact OH-ND2 3.13Å; Y880-S885 PolarHBondContact O-N 2.84Å
881	W	54.2	Low	57.4	Low	183 Å²	183	107 Å²	107	69%	0.693	53%	0.528	S	S	*	.	H	α-helix	trans	-74.8	-22.5	172.4	-164.2	76.3	0	0	0	111.8	A877 W878 S885	A877-W881 WeakPolarHBondContact O-CA 3.28Å; A877-W881 WeakPolarHBondContact O-CB 3.03Å; A877-W881 PolarHBondContact O-N 3.47Å; W878-W881 CarbonylContact O-C 3.4Å; W878-W881 PolarHBondContact O-N 2.93Å; W881-S885 VanDerWaalsContact O-CA 3.25Å; W881-S885 WeakPolarHBondContact O-CA 3.39Å; W881-S885 WeakPolarHBondContact O-CB 2.92Å; W881-S885 PolarHBondContact O-N 2.85Å; W881-S885 PolarHBondContact O-OG 3.42Å
882	K	55.5	Low	54.9	Low	136 Å²	136	108.7 Å²	108.7	59%	0.591	53%	0.533	S	S	*	.	H	α-helix	trans	-94.6	-25.4	178.2	-156.4	-176.8	-168.1	-175.7	0	113.2	W878 V879 Y880	W878-K882 HydrophobicContact CE3-CD 4.43Å; W878-K882 HydrophobicContact CH2-CD 3.64Å; W878-K882 HydrophobicContact CZ2-CD 3.7Å; W878-K882 HydrophobicContact CZ3-CD 4.01Å; W878-K882 WeakPolarHBondContact O-CA 3.03Å; W878-K882 WeakPolarHBondContact O-CB 3.33Å; W878-K882 PolarHBondContact O-N 2.86Å; V879-K882 PolarHBondContact O-N 2.78Å; Y880-K882 VanDerWaalsContact C-N 3.33Å
883	R	51	Low	52.3	Low	213 Å²	213	108.6 Å²	108.6	80%	0.804	52%	0.524	S	S	*	.	H	α-helix	trans	-99.2	-24.9	178.1	-165.2	171.6	178.7	155.4	0.2	112.1	V879	V879-R883 WeakPolarHBondContact O-CA 3.44Å; V879-R883 WeakPolarHBondContact O-CB 3.36Å; V879-R883 PolarHBondContact O-N 2.81Å
884	N	39.4	Very low	50	Low	66 Å²	66	105 Å²	105	35%	0.353	50%	0.504	S	S	.	.	S	Bend	trans	-120.2	11.2	174	-118	39.9	0	0	0	112	Y880 F886	Y880-N884 HydrophobicContact CD1-CB 3.83Å; Y880-N884 HydrophobicContact CD2-CB 4.41Å; Y880-N884 HydrophobicContact CE1-CB 3.88Å; Y880-N884 VanDerWaalsContact CE1-ND2 3.35Å; Y880-N884 WeakPolarHBondContact CE1-ND2 3.01Å; Y880-N884 HydrophobicContact CE2-CB 4.46Å; Y880-N884 HydrophobicContact CG-CB 4.11Å; Y880-N884 CarbonylContact O-C 3.56Å; Y880-N884 VanDerWaalsContact O-C 3.24Å; Y880-N884 WeakPolarHBondContact O-CA 3.45Å; Y880-N884 WeakPolarHBondContact O-CB 3.35Å; Y880-N884 PolarHBondContact O-N 3.48Å; Y880-N884 PolarHBondContact OH-ND2 3.4Å; Y880-N884 VanDerWaalsContact OH-ND2 3.13Å; N884-F886 PolarHBondContact O-N 3.44Å; N884-F886 WeakPolarHBondContact OD1-CE2 3.23Å
885	S	34.6	Very low	47.8	Very low	60 Å²	60	104.7 Å²	104.7	42%	0.42	50%	0.504	S	S	.	.				-62.4	71.5	129.6	-87.3	0	0	0	0	105.2	Y880 W881 N887	Y880-S885 PolarHBondContact O-N 2.84Å; W881-S885 VanDerWaalsContact O-CA 3.25Å; W881-S885 WeakPolarHBondContact O-CA 3.39Å; W881-S885 WeakPolarHBondContact O-CB 2.92Å; W881-S885 PolarHBondContact O-N 2.85Å; W881-S885 PolarHBondContact O-OG 3.42Å; S885-N887 PolarHBondContact O-N 3.47Å
886	F	31.7	Very low	45.6	Very low	139 Å²	139	105.6 Å²	105.6	61%	0.61	51%	0.509	S	S	*	.			trans	-29.7	124.1	135	-92.3	-98.2	0	0	0	105.5	N884 I888	N884-F886 PolarHBondContact O-N 3.44Å; N884-F886 WeakPolarHBondContact OD1-CE2 3.23Å; F886-I888 HydrophobicContact CB-CG1 4.05Å; F886-I888 PolarHBondContact O-N 3.1Å
887	N	29.2	Very low	43.5	Very low	141 Å²	141	102.1 Å²	102.1	75%	0.754	49%	0.489	S	S	*	.			trans	-36.8	79	131.9	-71	-46.5	0	0	0	107.6	S885 H889	S885-N887 PolarHBondContact O-N 3.47Å; N887-H889 PolarHBondContact O-N 3.05Å
888	I	28.4	Very low	41.7	Very low	119 Å²	119	102.3 Å²	102.3	61%	0.61	48%	0.477	S	S	*	.			trans	-69.5	88.5	154.4	-60.7	178.9	0	0	0	99.4	F886 F890 F893	F886-I888 HydrophobicContact CB-CG1 4.05Å; F886-I888 PolarHBondContact O-N 3.1Å; I888-F890 PolarHBondContact O-N 2.86Å; I888-F893 HydrophobicContact CG2-CD2 4.18Å; I888-F893 HydrophobicContact CG2-CE2 3.68Å
889	H	32.1	Very low	40	Very low	92 Å²	92	98.5 Å²	98.5	43%	0.426	47%	0.47	S	S	.	.			trans	-53.7	89.8	175.2	-124	-107.9	0	0	0	104.7	N887 S891 Q892 F893	N887-H889 PolarHBondContact O-N 3.05Å; H889-S891 PolarHBondContact CE1-OG 2.81Å; H889-S891 VanDerWaalsContact CE1-OG 3.23Å; H889-S891 PolarHBondContact ND1-OG 3.39Å; H889-S891 PolarHBondContact O-N 3Å; H889-Q892 HydrophobicContact CB-CB 3.85Å; H889-Q892 HydrophobicContact CB-CG 3.76Å; H889-Q892 WeakPolarHBondContact O-CA 3.29Å; H889-Q892 PolarHBondContact O-N 3.46Å; H889-F893 PolarHBondContact O-N 3.33Å
890	F	33.4	Very low	38.1	Very low	132 Å²	132	100.9 Å²	100.9	58%	0.579	48%	0.475	S	S	*	.	H	α-helix	trans	-60.4	-21	166.7	-132.3	-90	0	0	0	108.8	I888 F893 F894	I888-F890 PolarHBondContact O-N 2.86Å; F890-F893 WeakPolarHBondContact O-CB 3.34Å; F890-F893 PolarHBondContact O-N 2.61Å; F890-F893 VanDerWaalsContact O-N 3.14Å; F890-F894 HydrophobicContact CD1-CD2 4.47Å; F890-F894 HydrophobicContact CE1-CE2 4.2Å; F890-F894 PolarHBondContact O-N 2.78Å
891	S	33.5	Very low	37.1	Very low	31 Å²	31	94.9 Å²	94.9	22%	0.217	46%	0.455	C	S	.	.	H	α-helix	trans	-67.5	-19.7	165.2	42.8	0	0	0	0	115.3	H889 S895	H889-S891 PolarHBondContact CE1-OG 2.81Å; H889-S891 VanDerWaalsContact CE1-OG 3.23Å; H889-S891 PolarHBondContact ND1-OG 3.39Å; H889-S891 PolarHBondContact O-N 3Å; S891-S895 WeakPolarHBondContact O-CB 3.23Å; S891-S895 PolarHBondContact O-OG 3.26Å
892	Q	32.9	Very low	36.4	Very low	136 Å²	136	92 Å²	92	64%	0.636	44%	0.444	S	S	*	.	H	α-helix	trans	-85.6	-22.8	163.8	-77.4	-177.3	-6.1	0	0	112.6	H889	H889-Q892 HydrophobicContact CB-CB 3.85Å; H889-Q892 HydrophobicContact CB-CG 3.76Å; H889-Q892 WeakPolarHBondContact O-CA 3.29Å; H889-Q892 PolarHBondContact O-N 3.46Å
893	F	33.5	Very low	35.4	Very low	49 Å²	49	92.9 Å²	92.9	22%	0.215	44%	0.444	C	S	.	.	H	α-helix	trans	-74.7	-23.5	-178.6	-90.6	-83.2	0	0	0	114.4	D789 Y791 I888 H889 F890	D789-F893 HydrophobicContact CB-CZ 4.42Å; Y791-F893 AromaticContact CD2-CD1 3.81Å; Y791-F893 HydrophobicContact CD2-CD1 3.81Å; Y791-F893 HydrophobicContact CD2-CE1 4.36Å; Y791-F893 AromaticContact CE2-CD1 3.55Å; Y791-F893 HydrophobicContact CE2-CD1 3.55Å; Y791-F893 HydrophobicContact CE2-CE1 4.03Å; I888-F893 HydrophobicContact CG2-CD2 4.18Å; I888-F893 HydrophobicContact CG2-CE2 3.68Å; H889-F893 PolarHBondContact O-N 3.33Å; F890-F893 WeakPolarHBondContact O-CB 3.34Å; F890-F893 PolarHBondContact O-N 2.61Å; F890-F893 VanDerWaalsContact O-N 3.14Å
894	F	35.7	Very low	34.6	Very low	31 Å²	31	86.5 Å²	86.5	14%	0.136	43%	0.432	C	S	.	.	S	Bend	trans	-111.7	-7.9	174	-87.8	-99.3	0	0	0	114.7	F692 L781 L783 F890 L896 S897 Y898	F692-F894 HydrophobicContact CD1-CB 4.33Å; F692-F894 HydrophobicContact CD1-CD1 4.41Å; F692-F894 HydrophobicContact CD1-CG 4.41Å; F692-F894 HydrophobicContact CE1-CB 3.93Å; F692-F894 AromaticContact CE1-CD1 3.38Å; F692-F894 HydrophobicContact CE1-CD1 3.38Å; F692-F894 AromaticContact CE1-CE1 3.88Å; F692-F894 HydrophobicContact CE1-CE1 3.88Å; F692-F894 AromaticContact CE1-CG 3.76Å; F692-F894 HydrophobicContact CE1-CG 3.76Å; F692-F894 HydrophobicContact CZ-CB 4.09Å; F692-F894 AromaticContact CZ-CD1 3.58Å; F692-F894 HydrophobicContact CZ-CD1 3.58Å; F692-F894 HydrophobicContact CZ-CE1 4.3Å; F692-F894 HydrophobicContact CZ-CG 4.16Å; L781-F894 HydrophobicContact CD2-CE1 4.12Å; L783-F894 HydrophobicContact CD1-CD1 3.89Å; L783-F894 HydrophobicContact CD1-CE1 2.97Å; L783-F894 HydrophobicContact CD1-CE2 4.11Å; L783-F894 HydrophobicContact CD1-CZ 3.1Å; L783-F894 HydrophobicContact CG-CE1 4.45Å; F890-F894 HydrophobicContact CD1-CD2 4.47Å; F890-F894 HydrophobicContact CE1-CE2 4.2Å; F890-F894 PolarHBondContact O-N 2.78Å; F894-L896 PolarHBondContact O-N 3.28Å; F894-L896 VanDerWaalsContact O-N 3.08Å; F894-S897 WeakPolarHBondContact CD1-OG 3.41Å; F894-S897 PolarHBondContact O-N 2.72Å; F894-Y898 PolarHBondContact O-N 2.97Å; F894-Y898 VanDerWaalsContact O-N 3.17Å
895	S	34.5	Very low	34.6	Very low	69 Å²	69	84.2 Å²	84.2	48%	0.483	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.5	166.7	-73.6	0	0	0	0	112.7	S891 P899	S891-S895 WeakPolarHBondContact O-CB 3.23Å; S891-S895 PolarHBondContact O-OG 3.26Å; S895-P899 WeakPolarHBondContact O-CD 3.23Å
896	L	33.7	Very low	34.7	Very low	118 Å²	118	84.9 Å²	84.9	62%	0.618	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-7.6	172.2	-75	164.3	0	0	0	114.3	F894 P899 F900	F894-L896 PolarHBondContact O-N 3.28Å; F894-L896 VanDerWaalsContact O-N 3.08Å; L896-P899 WeakPolarHBondContact O-CD 3.35Å; L896-F900 WeakPolarHBondContact O-CD2 3.35Å; L896-F900 WeakPolarHBondContact O-CE2 3.29Å
897	S	35.4	Very low	34.7	Very low	21 Å²	21	84.1 Å²	84.1	15%	0.147	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-30.1	173.3	-51.1	0	0	0	0	111.6	F894 F900	F894-S897 WeakPolarHBondContact CD1-OG 3.41Å; F894-S897 PolarHBondContact O-N 2.72Å; S897-F900 WeakPolarHBondContact O-CB 3.3Å; S897-F900 PolarHBondContact O-N 3.03Å
898	Y	35.3	Very low	34.9	Very low	62 Å²	62	85 Å²	85	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-54.2	-39.5	172.2	-119.9	-79	0	0	0	114.6	H674 F692 F894 F900 R902	H674-Y898 HydrophobicContact CB-CE1 4.11Å; H674-Y898 PolarHBondContact O-OH 2.79Å; F692-Y898 HydrophobicContact CD2-CD2 4.04Å; F692-Y898 AromaticContact CD2-CE2 3.55Å; F692-Y898 HydrophobicContact CD2-CE2 3.55Å; F692-Y898 AromaticContact CE2-CD2 3.53Å; F692-Y898 HydrophobicContact CE2-CD2 3.53Å; F692-Y898 AromaticContact CE2-CE2 3.3Å; F692-Y898 HydrophobicContact CE2-CE2 3.3Å; F894-Y898 PolarHBondContact O-N 2.97Å; F894-Y898 VanDerWaalsContact O-N 3.17Å; Y898-F900 PolarHBondContact O-N 3.05Å; Y898-F900 VanDerWaalsContact O-N 3.12Å; Y898-R902 VanDerWaalsContact O-CB 3.25Å; Y898-R902 WeakPolarHBondContact O-CB 3.41Å; Y898-R902 PolarHBondContact O-N 2.88Å
899	P	36.2	Very low	35.2	Very low	51 Å²	51	81.1 Å²	81.1	33%	0.331	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-12.1	173.1	-16.6	29.3	0	0	0	113.5	S895 L896 R903	S895-P899 WeakPolarHBondContact O-CD 3.23Å; L896-P899 WeakPolarHBondContact O-CD 3.35Å; P899-R903 WeakPolarHBondContact O-CA 3.38Å; P899-R903 WeakPolarHBondContact O-CB 3.35Å; P899-R903 WeakPolarHBondContact O-CG 3.41Å; P899-R903 PolarHBondContact O-N 3.43Å
900	F	34.6	Very low	35.2	Very low	113 Å²	113	83 Å²	83	50%	0.496	40%	0.4	S	S	.	.	H	α-helix	trans	-99	-37.8	-174.6	-73.4	-83.5	0	0	0	114.2	L896 S897 Y898 R902 S904	L896-F900 WeakPolarHBondContact O-CD2 3.35Å; L896-F900 WeakPolarHBondContact O-CE2 3.29Å; S897-F900 WeakPolarHBondContact O-CB 3.3Å; S897-F900 PolarHBondContact O-N 3.03Å; Y898-F900 PolarHBondContact O-N 3.05Å; Y898-F900 VanDerWaalsContact O-N 3.12Å; F900-R902 VanDerWaalsContact C-N 3.35Å; F900-S904 PolarHBondContact O-N 2.86Å
901	C	44	Very low	35.3	Very low	30 Å²	30	81 Å²	81	20%	0.203	39%	0.394	C	S	.	.	H	α-helix	trans	-63.6	-46.3	162.8	-92.5	0	0	0	0	109.4	C630 S904 Q905	C630-C901 WeakPolarHBondContact CA-SG 3.17Å; C630-C901 WeakPolarHBondContact CB-SG 3.28Å; C630-C901 WeakPolarHBondContact SG-CB 3.5Å; C630-C901 CovalentContact SG-SG 2.05Å; C630-C901 PolarHBondContact SG-SG 2.02Å; C901-S904 PolarHBondContact O-N 3.14Å; C901-Q905 PolarHBondContact O-N 3.27Å
902	R	39.9	Very low	35.4	Very low	123 Å²	123	84.7 Å²	84.7	46%	0.464	40%	0.403	S	S	.	.	H	α-helix	trans	-65.7	-39.8	176.7	-134.1	-179	-161.7	-173.1	3.5	112.9	Y898 F900 S904 Q905 D906	Y898-R902 VanDerWaalsContact O-CB 3.25Å; Y898-R902 WeakPolarHBondContact O-CB 3.41Å; Y898-R902 PolarHBondContact O-N 2.88Å; F900-R902 VanDerWaalsContact C-N 3.35Å; R902-S904 VanDerWaalsContact C-N 3.33Å; R902-S904 PolarHBondContact O-N 3.43Å; R902-Q905 CarbonylContact O-C 3.57Å; R902-Q905 PolarHBondContact O-N 2.05Å; R902-Q905 VanDerWaalsContact O-N 3.12Å; R902-D906 VanDerWaalsContact O-CB 3.27Å; R902-D906 WeakPolarHBondContact O-CB 3.45Å; R902-D906 VanDerWaalsContact O-CG 3.22Å; R902-D906 PolarHBondContact O-N 2.8Å
903	R	35.1	Very low	35.5	Very low	154 Å²	154	81 Å²	81	58%	0.581	39%	0.388	S	S	*	.	H	α-helix	trans	-63.7	-32.7	174.4	-95.5	175.7	167.8	169.2	-3.3	113.3	P899 Q905 H907	P899-R903 WeakPolarHBondContact O-CA 3.38Å; P899-R903 WeakPolarHBondContact O-CB 3.35Å; P899-R903 WeakPolarHBondContact O-CG 3.41Å; P899-R903 PolarHBondContact O-N 3.43Å; R903-Q905 PolarHBondContact O-N 3.22Å; R903-H907 WeakPolarHBondContact O-CA 2.96Å; R903-H907 WeakPolarHBondContact O-CB 3.38Å; R903-H907 PolarHBondContact O-N 2.9Å
904	S	34	Very low	35.7	Very low	80 Å²	80	81.7 Å²	81.7	56%	0.559	40%	0.396	S	S	*	.	H	α-helix	trans	-61.4	-39.8	175.5	-179.9	0	0	0	0	110.6	F900 C901 R902 Y908	F900-S904 PolarHBondContact O-N 2.86Å; C901-S904 PolarHBondContact O-N 3.14Å; R902-S904 VanDerWaalsContact C-N 3.33Å; R902-S904 PolarHBondContact O-N 3.43Å; S904-Y908 PolarHBondContact O-N 3.33Å
905	Q	39.6	Very low	35.9	Very low	18 Å²	18	85.5 Å²	85.5	8%	0.084	42%	0.417	C	S	.	.	H	α-helix	trans	-78.5	-51.2	-179.1	-138	149.4	-33.4	0	0	111.6	W764 C901 R902 R903 H907 Y908 D909	W764-Q905 HydrophobicContact CH2-CG 3.63Å; W764-Q905 HydrophobicContact CZ3-CG 3.99Å; C901-Q905 PolarHBondContact O-N 3.27Å; R902-Q905 CarbonylContact O-C 3.57Å; R902-Q905 PolarHBondContact O-N 2.05Å; R902-Q905 VanDerWaalsContact O-N 3.12Å; R903-Q905 PolarHBondContact O-N 3.22Å; Q905-H907 VanDerWaalsContact C-N 3.33Å; Q905-H907 PolarHBondContact O-N 2.91Å; Q905-Y908 PolarHBondContact O-N 2.91Å; Q905-D909 WeakPolarHBondContact O-CB 3Å; Q905-D909 PolarHBondContact O-N 3.12Å
906	D	35.1	Very low	36.2	Very low	73 Å²	73	86.8 Å²	86.8	39%	0.39	42%	0.416	S	S	.	.	H	α-helix	trans	-61.8	-36.6	176.3	-67.2	-29.3	0	0	0	111.4	R902 H910	R902-D906 VanDerWaalsContact O-CB 3.27Å; R902-D906 WeakPolarHBondContact O-CB 3.45Å; R902-D906 VanDerWaalsContact O-CG 3.22Å; R902-D906 PolarHBondContact O-N 2.8Å; D906-H910 WeakPolarHBondContact O-CA 3.44Å; D906-H910 WeakPolarHBondContact O-CB 3.07Å; D906-H910 PolarHBondContact O-N 3.46Å
907	H	32.2	Very low	36.4	Very low	124 Å²	124	85.6 Å²	85.6	57%	0.574	41%	0.41	S	S	*	.	H	α-helix	trans	-73.9	-31	179	-157.6	-95.1	0	0	0	111.3	R903 Q905 L911	R903-H907 WeakPolarHBondContact O-CA 2.96Å; R903-H907 WeakPolarHBondContact O-CB 3.38Å; R903-H907 PolarHBondContact O-N 2.9Å; Q905-H907 VanDerWaalsContact C-N 3.33Å; Q905-H907 PolarHBondContact O-N 2.91Å; H907-L911 WeakPolarHBondContact CE1-CD1 3.34Å; H907-L911 WeakPolarHBondContact ND1-CD1 3.27Å; H907-L911 VanDerWaalsContact O-CB 3.3Å; H907-L911 WeakPolarHBondContact O-CB 3.09Å; H907-L911 VanDerWaalsContact O-CD1 3.26Å; H907-L911 WeakPolarHBondContact O-CD1 3.14Å; H907-L911 PolarHBondContact O-N 2.89Å; H907-L911 VanDerWaalsContact O-N 3.08Å
908	Y	33.6	Very low	36.5	Very low	160 Å²	160	89.7 Å²	89.7	63%	0.627	43%	0.43	S	S	*	.	H	α-helix	trans	-72.3	-45	172.8	-139.1	-90.4	0	0	0	111.2	S904 Q905 R912	S904-Y908 PolarHBondContact O-N 3.33Å; Q905-Y908 PolarHBondContact O-N 2.91Å; Y908-R912 WeakPolarHBondContact O-CB 3.39Å; Y908-R912 PolarHBondContact O-N 2.88Å
909	D	35	Very low	36.6	Very low	36 Å²	36	94.8 Å²	94.8	19%	0.193	46%	0.456	C	S	.	.	H	α-helix	trans	-67.2	-40.1	176.7	-76.2	-18.1	0	0	0	111.5	H478 Q905 L913	H478-D909 IonicContact ND1-OD2 3.93Å; Q905-D909 WeakPolarHBondContact O-CB 3Å; Q905-D909 PolarHBondContact O-N 3.12Å; D909-L913 WeakPolarHBondContact O-CB 3.3Å; D909-L913 WeakPolarHBondContact O-CD1 3.25Å; D909-L913 WeakPolarHBondContact O-CG 3.5Å; D909-L913 PolarHBondContact O-N 2.84Å
910	H	32.6	Very low	36.4	Very low	133 Å²	133	102.1 Å²	102.1	62%	0.616	48%	0.478	S	S	*	.	H	α-helix	trans	-77.7	-33	-177.2	-155.3	-50.2	0	0	0	113.1	D906 T914	D906-H910 WeakPolarHBondContact O-CA 3.44Å; D906-H910 WeakPolarHBondContact O-CB 3.07Å; D906-H910 PolarHBondContact O-N 3.46Å; H910-T914 WeakPolarHBondContact O-CG2 3.07Å; H910-T914 PolarHBondContact O-N 3.46Å; H910-T914 VanDerWaalsContact O-N 3.1Å; H910-T914 PolarHBondContact O-OG1 2.98Å
911	L	34.4	Very low	36.3	Very low	88 Å²	88	104.8 Å²	104.8	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-68.1	-37.8	171	-101	126.6	0	0	0	111.8	H907 T914 L915	H907-L911 WeakPolarHBondContact CE1-CD1 3.34Å; H907-L911 WeakPolarHBondContact ND1-CD1 3.27Å; H907-L911 VanDerWaalsContact O-CB 3.3Å; H907-L911 WeakPolarHBondContact O-CB 3.09Å; H907-L911 VanDerWaalsContact O-CD1 3.26Å; H907-L911 WeakPolarHBondContact O-CD1 3.14Å; H907-L911 PolarHBondContact O-N 2.89Å; H907-L911 VanDerWaalsContact O-N 3.08Å; L911-T914 WeakPolarHBondContact CA-OG1 3.46Å; L911-T914 PolarHBondContact O-OG1 2.88Å; L911-L915 WeakPolarHBondContact O-CD1 3.28Å; L911-L915 VanDerWaalsContact O-CG 3.23Å; L911-L915 WeakPolarHBondContact O-CG 3.22Å; L911-L915 PolarHBondContact O-N 3.14Å; L911-L915 VanDerWaalsContact O-N 3.16Å
912	R	35.5	Very low	35.6	Very low	110 Å²	110	108 Å²	108	42%	0.415	52%	0.515	S	S	.	.	H	α-helix	trans	-75	-39.3	179.1	-165.7	175.4	178.8	167.7	2	112.1	H479 Y908 T914 L915 E916	H479-R912 PolarHBondContact NE2-NH1 3.42Å; H479-R912 VanDerWaalsContact NE2-NH1 3.17Å; Y908-R912 WeakPolarHBondContact O-CB 3.39Å; Y908-R912 PolarHBondContact O-N 2.88Å; R912-T914 VanDerWaalsContact C-N 3.29Å; R912-T914 PolarHBondContact O-N 3.44Å; R912-L915 PolarHBondContact O-N 2.84Å; R912-L915 VanDerWaalsContact O-N 3.13Å; R912-E916 IonicContact CZ-OE1 2.75Å; R912-E916 IonicContact NE-OE1 3.15Å; R912-E916 PolarHBondContact NE-OE1 3.33Å; R912-E916 VanDerWaalsContact NE-OE1 3.11Å; R912-E916 IonicContact NH2-OE1 3.69Å; R912-E916 WeakPolarHBondContact O-CB 3.48Å; R912-E916 PolarHBondContact O-N 3.27Å
913	L	35.7	Very low	35.2	Very low	58 Å²	58	106.8 Å²	106.8	30%	0.304	53%	0.526	S	S	.	.	H	α-helix	trans	-66.6	-26.9	173.5	-74.8	168.1	0	0	0	113.1	R476 D909 N917	R476-L913 VanDerWaalsContact NH2-CD2 3.31Å; D909-L913 WeakPolarHBondContact O-CB 3.3Å; D909-L913 WeakPolarHBondContact O-CD1 3.25Å; D909-L913 WeakPolarHBondContact O-CG 3.5Å; D909-L913 PolarHBondContact O-N 2.84Å; L913-N917 VanDerWaalsContact O-CB 3.3Å; L913-N917 WeakPolarHBondContact O-CB 3.17Å; L913-N917 PolarHBondContact O-N 2.79Å; L913-N917 PolarHBondContact O-ND2 2.69Å
914	T	38.2	Very low	35	Very low	63 Å²	63	105.8 Å²	105.8	39%	0.387	54%	0.537	S	S	.	.	H	α-helix	trans	-72.8	-39.1	168.8	42.3	0	0	0	0	111.7	H910 L911 R912 N917 D918	H910-T914 WeakPolarHBondContact O-CG2 3.07Å; H910-T914 PolarHBondContact O-N 3.46Å; H910-T914 VanDerWaalsContact O-N 3.1Å; H910-T914 PolarHBondContact O-OG1 2.98Å; L911-T914 WeakPolarHBondContact CA-OG1 3.46Å; L911-T914 PolarHBondContact O-OG1 2.88Å; R912-T914 VanDerWaalsContact C-N 3.29Å; R912-T914 PolarHBondContact O-N 3.44Å; T914-N917 PolarHBondContact O-N 3.03Å; T914-D918 WeakPolarHBondContact O-CB 3.32Å; T914-D918 PolarHBondContact O-N 2.89Å
915	L	39.8	Very low	34.7	Very low	112 Å²	112	108.5 Å²	108.5	59%	0.586	55%	0.55	S	S	*	.	H	α-helix	trans	-70.5	-37.7	179	-69.7	164.4	0	0	0	112.8	L911 R912 E919	L911-L915 WeakPolarHBondContact O-CD1 3.28Å; L911-L915 VanDerWaalsContact O-CG 3.23Å; L911-L915 WeakPolarHBondContact O-CG 3.22Å; L911-L915 PolarHBondContact O-N 3.14Å; L911-L915 VanDerWaalsContact O-N 3.16Å; R912-L915 PolarHBondContact O-N 2.84Å; R912-L915 VanDerWaalsContact O-N 3.13Å; L915-E919 PolarHBondContact O-N 2.89Å
916	E	39.9	Very low	34.3	Very low	96 Å²	96	115.3 Å²	115.3	45%	0.449	59%	0.586	S	S	.	*	H	α-helix	trans	-77.8	-23.6	177.6	-74.7	171.9	-175.4	0	0	112.9	R912	R912-E916 IonicContact CZ-OE1 2.75Å; R912-E916 IonicContact NE-OE1 3.15Å; R912-E916 PolarHBondContact NE-OE1 3.33Å; R912-E916 VanDerWaalsContact NE-OE1 3.11Å; R912-E916 IonicContact NH2-OE1 3.69Å; R912-E916 WeakPolarHBondContact O-CB 3.48Å; R912-E916 PolarHBondContact O-N 3.27Å
917	N	38.9	Very low	34	Very low	92 Å²	92	117.3 Å²	117.3	49%	0.492	61%	0.606	S	S	.	*	H	α-helix	trans	-81	-30	171.6	-80	-48.7	0	0	0	112.8	L913 T914 Y920 Q921	L913-N917 VanDerWaalsContact O-CB 3.3Å; L913-N917 WeakPolarHBondContact O-CB 3.17Å; L913-N917 PolarHBondContact O-N 2.79Å; L913-N917 PolarHBondContact O-ND2 2.69Å; T914-N917 PolarHBondContact O-N 3.03Å; N917-Y920 PolarHBondContact O-N 3.17Å; N917-Q921 PolarHBondContact O-N 2.76Å; N917-Q921 VanDerWaalsContact O-N 3.11Å
918	D	36.5	Very low	33.9	Very low	108 Å²	108	115.1 Å²	115.1	58%	0.578	62%	0.617	S	S	*	*	H	α-helix	trans	-74.8	-28.1	176	-74.3	-25.9	0	0	0	112.1	T914 Y920	T914-D918 WeakPolarHBondContact O-CB 3.32Å; T914-D918 PolarHBondContact O-N 2.89Å; D918-Y920 VanDerWaalsContact C-N 3.29Å; D918-Y920 PolarHBondContact O-N 3.35Å
919	E	37.4	Very low	33.6	Very low	169 Å²	169	113.7 Å²	113.7	79%	0.79	63%	0.63	S	S	*	*	H	α-helix	trans	-74.6	-13.8	169.8	-84.6	-172.6	151.7	0	0	114	L915	L915-E919 PolarHBondContact O-N 2.89Å
920	Y	32.9	Very low	33.4	Very low	204 Å²	204	115.6 Å²	115.6	80%	0.8	66%	0.658	S	S	*	*	H	α-helix	trans	-103.6	-10.3	174.5	-125.6	-93.1	0	0	0	114.2	N917 D918	N917-Y920 PolarHBondContact O-N 3.17Å; D918-Y920 VanDerWaalsContact C-N 3.29Å; D918-Y920 PolarHBondContact O-N 3.35Å
921	Q	31.5	Very low	33.2	Very low	169 Å²	169	115.8 Å²	115.8	79%	0.79	67%	0.674	S	S	*	*	H	α-helix	trans	-102.8	0.4	176.3	-71	-155.8	-12	0	0	115	N917 S923	N917-Q921 PolarHBondContact O-N 2.76Å; N917-Q921 VanDerWaalsContact O-N 3.11Å; Q921-S923 PolarHBondContact O-N 2.64Å
922	S	30.1	Very low	33	Very low	97 Å²	97	114.7 Å²	114.7	68%	0.678	69%	0.685	S	S	*	*			trans	-100.9	60.4	172.6	-165.1	0	0	0	0	112.5
923	S	31.2	Very low	32.6	Very low	99 Å²	99	117.3 Å²	117.3	69%	0.692	71%	0.705	S	S	*	*	S	Bend	trans	-141.7	79.4	160.4	52.7	0	0	0	0	111.2	Q921	Q921-S923 PolarHBondContact O-N 2.64Å
924	T	31.2	Very low	32.2	Very low	132 Å²	132	125.3 Å²	125.3	81%	0.81	73%	0.733	S	S	*	*			trans	41.4	98.5	143.2	-32.1	0	0	0	0	118.5	L926	T924-L926 PolarHBondContact O-N 3.5Å
925	V	28	Very low	31.6	Very low	137 Å²	137	129.9 Å²	129.9	83%	0.83	75%	0.75	S	S	*	*			trans	-19.6	119.2	143.6	179.4	0	0	0	0	113.8
926	L	31.2	Very low	31.3	Very low	161 Å²	161	130.5 Å²	130.5	84%	0.843	76%	0.761	S	S	*	*			trans	-164.9	122.5	140.9	-101.9	155.3	0	0	0	110.7	T924	T924-L926 PolarHBondContact O-N 3.5Å
927	S	28.3	Very low	30.8	Very low	115 Å²	115	132 Å²	132	80%	0.804	78%	0.776	S	S	*	*			trans	-56.6	141	-179	55.8	0	0	0	0	114.9
928	G	29.9	Very low	30.3	Very low	78 Å²	78	134.3 Å²	134.3	80%	0.804	79%	0.794	S	S	*	*			trans	177.2	101	164.7	0	0	0	0	0	113.5
929	S	28.5	Very low	30.1	Very low	130 Å²	130	138.6 Å²	138.6	91%	0.909	81%	0.807	S	S	*	*			trans	-51.1	133.2	169	49	0	0	0	0	113.5
930	G	30.4	Very low	29.6	Very low	76 Å²	76	139.9 Å²	139.9	78%	0.784	81%	0.813	S	S	*	*			trans	166.6	106	166.3	0	0	0	0	0	114
931	S	27.9	Very low	29.6	Very low	137 Å²	137	133.9 Å²	133.9	96%	0.958	81%	0.813	S	S	*	*			trans	-53.2	128.2	169.6	-26.7	0	0	0	0	111.4
932	G	30.3	Very low	29.5	Very low	66 Å²	66	138 Å²	138	68%	0.68	82%	0.822	S	S	*	*			trans	-176.7	115.4	175.7	0	0	0	0	0	112.5
933	I	27.2	Very low	29.6	Very low	164 Å²	164	138.4 Å²	138.4	84%	0.841	83%	0.831	S	S	*	*			trans	-48.5	130.5	174.7	-63.5	154.7	0	0	0	111.2
934	Y	26.9	Very low	29.5	Very low	226 Å²	226	137.6 Å²	137.6	89%	0.886	84%	0.838	S	S	*	*			trans	-139.4	110.2	164.1	-101.9	-86.3	0	0	0	111
935	Q	25.3	Very low	29.6	Very low	160 Å²	160	136.3 Å²	136.3	75%	0.748	84%	0.841	S	S	*	*			trans	-81.9	136.2	151	-73.4	175.4	-44.7	0	0	107.7
936	P	33.1	Very low	29.6	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	84%	0.843	S	S	*	*			trans	-91	111.5	166.3	17.3	-1.5	0	0	0	110.2
937	T	30.3	Very low	29.6	Very low	126 Å²	126	139.4 Å²	139.4	77%	0.773	85%	0.847	S	S	*	*			trans	-59.3	132.7	163.9	43.5	0	0	0	0	112.3
938	V	29.1	Very low	29.6	Very low	141 Å²	141	141.6 Å²	141.6	86%	0.855	85%	0.849	S	S	*	*			trans	-68.2	125	163.2	177.7	0	0	0	0	108.9
939	K	31	Very low	29.7	Very low	199 Å²	199	142.6 Å²	142.6	87%	0.865	85%	0.849	S	S	*	*			trans	-104.4	117.3	166.7	-95	-173.9	175.4	179.1	0	109.3
940	E	28.4	Very low	29.8	Very low	196 Å²	196	141.1 Å²	141.1	92%	0.916	84%	0.839	S	S	*	*			trans	-65.9	147.6	160.9	-70	-179.4	141.7	0	0	111.3
941	G	31.5	Very low	29.7	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	84%	0.839	S	S	*	*			trans	-168.3	78.2	178.1	0	0	0	0	0	113.4
942	R	29	Very low	30.1	Very low	255 Å²	255	143 Å²	143	96%	0.962	83%	0.829	S	S	*	*			trans	-23.5	133.5	161	-105.3	170.4	170.2	161.7	-1.7	116.8
943	A	33.7	Very low	29.9	Very low	105 Å²	105	143 Å²	143	87%	0.868	83%	0.828	S	S	*	*			trans	-165.3	119.9	132.9	0	0	0	0	0	109.9
944	G	28.7	Very low	30.1	Very low	83 Å²	83	146.3 Å²	146.3	86%	0.856	83%	0.832	S	S	*	*			trans	-94.8	161.4	174.4	0	0	0	0	0	113
945	A	33.1	Very low	29.9	Very low	104 Å²	104	143.6 Å²	143.6	86%	0.86	83%	0.829	S	S	*	*			trans	-162.4	119.6	150.3	0	0	0	0	0	109.3
946	E	27.3	Very low	30.1	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	83%	0.831	S	S	*	*			trans	-61	149.4	164.6	-71.1	162.9	111.7	0	0	111.6
947	L	31.6	Very low	30	Very low	178 Å²	178	141.5 Å²	141.5	93%	0.932	82%	0.823	S	S	*	*			trans	-164	135.9	137.3	-106.7	148	0	0	0	111.8
948	L	28	Very low	30.1	Very low	161 Å²	161	143.7 Å²	143.7	84%	0.843	82%	0.821	S	S	*	*			trans	-79.3	171	-170.5	-69.8	150.6	0	0	0	114.7
949	A	31.6	Very low	30.4	Very low	99 Å²	99	143.9 Å²	143.9	82%	0.818	82%	0.818	S	S	*	*			trans	78.4	152	148.8	0	0	0	0	0	116.7
950	S	31.3	Very low	30.5	Very low	99 Å²	99	138 Å²	138	69%	0.692	81%	0.813	S	S	*	*			cis	175.1	140.2	-7.5	168.7	0	0	0	0	105.8
951	D	29.5	Very low	30.7	Very low	148 Å²	148	135.6 Å²	135.6	79%	0.791	81%	0.807	S	S	*	*			trans	46.8	151.3	148.5	-81.4	-27.1	0	0	0	125.8
952	S	34.5	Very low	30.5	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	80%	0.804	S	S	*	*			trans	93.7	117.7	155.6	-31.2	0	0	0	0	114.7
953	G	27.2	Very low	30.5	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	79%	0.794	S	S	*	*			cis	81.9	121.5	48.5	0	0	0	0	0	109.6
954	Y	30.5	Very low	30.3	Very low	234 Å²	234	134.9 Å²	134.9	92%	0.918	79%	0.792	S	S	*	*			trans	161.4	136.1	136.8	-83.1	-64.7	0	0	0	113.8
955	M	24.2	Very low	30.5	Very low	169 Å²	169	133.9 Å²	133.9	83%	0.833	78%	0.782	S	S	*	*			trans	-85.1	160.4	176.3	-95.3	-153.8	177.9	0	0	113.6
956	L	28	Very low	30.4	Very low	150 Å²	150	133.5 Å²	133.5	79%	0.785	77%	0.773	S	S	*	*			trans	80.5	106.8	146.1	-74.6	158.5	0	0	0	120.9
957	S	31.4	Very low	30.7	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	77%	0.77	S	S	*	*				86.7	122.3	107.4	-171.2	0	0	0	0	121.6
958	K	31.8	Very low	30.9	Very low	172 Å²	172	128.6 Å²	128.6	75%	0.748	76%	0.762	S	S	*	*				107.8	123.9	128.6	-97.6	178.6	-179.8	-166.8	0	120.9
959	D	35.7	Very low	31.1	Very low	146 Å²	146	129.7 Å²	129.7	78%	0.781	76%	0.763	S	S	*	*			trans	78.8	128.3	141.5	-56.4	-30.1	0	0	0	119.7
960	G	33.9	Very low	31.5	Very low	74 Å²	74	130.4 Å²	130.4	76%	0.763	76%	0.759	S	S	*	*			trans	140.7	56.4	150.8	0	0	0	0	0	118.5
961	D	31.3	Very low	31.6	Very low	147 Å²	147	130.6 Å²	130.6	79%	0.786	77%	0.766	S	S	*	*			trans	30.4	139.9	134.2	-84.6	-28.2	0	0	0	124.3
962	L	28.5	Very low	31.9	Very low	141 Å²	141	127.3 Å²	127.3	74%	0.738	77%	0.768	S	S	*	*			trans	68.2	144.2	147.1	-90.1	91	0	0	0	119
963	L	28	Very low	31.8	Very low	144 Å²	144	127 Å²	127	75%	0.754	77%	0.771	S	S	*	*			cis	171.2	159.7	-17.9	-111.7	-173	0	0	0	104.5
964	V	30.4	Very low	32.1	Very low	137 Å²	137	133 Å²	133	83%	0.83	79%	0.785	S	S	*	*			trans	93.2	120.8	153.9	-162.5	0	0	0	0	119.5
965	G	32.9	Very low	32.4	Very low	62 Å²	62	130 Å²	130	64%	0.639	81%	0.808	S	S	*	*			trans	135.6	72.2	138.9	0	0	0	0	0	114.3
966	S	30.5	Very low	32.8	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	81%	0.807	S	S	*	*				47.9	108.7	95.4	69.6	0	0	0	0	115.4
967	D	34.1	Very low	33	Very low	149 Å²	149	126.9 Å²	126.9	80%	0.797	81%	0.808	S	S	*	*				170	141.3	101.8	-90.4	-31	0	0	0	114.5
968	S	35.8	Very low	33.1	Very low	111 Å²	111	129 Å²	129	78%	0.776	82%	0.818	S	S	*	*			trans	80.4	98.2	143.9	62.9	0	0	0	0	122
969	H	32.2	Very low	33.2	Very low	185 Å²	185	126.5 Å²	126.5	86%	0.856	82%	0.822	S	S	*	*			trans	-56.6	164.8	135.5	-89.4	-49.9	0	0	0	110.9
970	P	39.8	Very low	33	Very low	114 Å²	114	125.3 Å²	125.3	74%	0.74	83%	0.825	S	S	*	*			cis	-153.1	177.6	40.7	40.1	-17	0	0	0	118.5
971	A	32.2	Very low	33	Very low	102 Å²	102	128.7 Å²	128.7	84%	0.843	83%	0.829	S	S	*	*			trans	52.3	118.4	143.1	0	0	0	0	0	120.6
972	G	36.4	Very low	33.1	Very low	80 Å²	80	127.4 Å²	127.4	83%	0.825	83%	0.832	S	S	*	*			trans	-172.4	108.4	161.2	0	0	0	0	0	111.2
973	A	31.8	Very low	33.4	Very low	98 Å²	98	126.3 Å²	126.3	81%	0.81	84%	0.839	S	S	*	*			trans	-67.9	170.9	179.8	0	0	0	0	0	113.9
974	M	35.4	Very low	33.9	Very low	192 Å²	192	124.8 Å²	124.8	95%	0.946	85%	0.846	S	S	*	*			trans	106.1	86.6	159.7	-59.9	-173.2	172.6	0	0	116.3
975	A	35.2	Very low	34.2	Very low	171 Å²	171	123.7 Å²	123.7	100%	1.413	85%	0.848	S	S	*	*				-168.8	0	113.3	0	0	0	0	0	107.5

Retrieved 975 of 975 residues in 3108.2 ms (Link to these results)

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